#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pva s SER 2 N 0.00 1.79 -0.17 0.00 0.01 -1.24 -3.94 113.70 110.15 3pva s SER 2 Ca 0.00 -0.78 -0.28 0.00 1.31 0.00 0.00 55.95 56.20 3pva s SER 2 Cb 0.00 -0.04 0.08 0.00 0.21 0.00 0.00 66.02 66.26 3pva s SER 2 CO 0.00 -0.17 0.74 -0.94 0.41 0.00 0.00 173.24 173.28 3pva s SER 3 N -2.35 -0.68 0.25 2.44 1.04 0.82 -0.62 113.70 114.60 3pva s SER 3 Ca 0.06 1.06 -0.16 0.00 0.48 0.00 0.00 55.95 57.39 3pva s SER 3 Cb -0.05 0.99 0.01 0.00 0.10 0.00 0.00 66.02 67.07 3pva s SER 3 CO 0.02 -0.40 0.55 -1.48 0.98 0.00 0.00 173.24 172.92 3pva s LEU 4 N -0.35 0.11 0.04 2.42 2.34 -0.01 0.05 118.68 123.28 3pva s LEU 4 Ca -0.04 -0.75 0.02 0.00 0.06 0.00 0.00 54.13 53.42 3pva s LEU 4 Cb -0.03 2.11 -0.02 0.00 -0.56 0.00 0.00 46.19 47.70 3pva s LEU 4 CO 0.04 -1.18 -0.07 -0.94 -1.06 0.00 0.00 176.35 173.14 3pva s SER 5 N -2.96 0.81 0.35 1.48 1.04 -0.10 -0.19 113.70 114.13 3pva s SER 5 Ca 0.16 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 56.13 3pva s SER 5 Cb -0.02 0.03 -0.06 0.00 0.10 0.00 0.00 66.02 66.06 3pva s SER 5 CO 0.06 -0.18 0.06 0.27 0.98 0.00 0.00 173.24 174.43 3pva s ILE 6 N -1.25 1.20 -0.10 -1.02 -0.00 -0.09 -4.90 121.20 115.04 3pva s ILE 6 Ca -0.09 -2.00 0.04 0.00 -0.00 0.00 0.00 60.65 58.60 3pva s ILE 6 Cb -0.09 -2.75 -0.00 0.00 -0.00 0.00 0.00 42.46 39.62 3pva s ILE 6 CO 0.00 0.00 -0.23 -0.60 -0.00 0.00 0.00 174.94 174.11 3pva s ARG 7 N -3.86 3.04 0.84 0.37 6.06 -1.26 -1.69 118.95 122.45 3pva s ARG 7 Ca 0.34 -0.87 -0.08 0.00 -2.50 0.00 0.00 55.73 52.62 3pva s ARG 7 Cb 0.08 -2.31 0.17 0.00 0.06 0.00 0.00 34.95 32.95 3pva s ARG 7 CO 0.15 0.20 1.16 0.95 -2.50 0.00 0.00 175.30 175.26 3pva s THR 8 N 0.31 2.05 -0.88 4.11 -4.23 0.48 -4.48 115.64 112.99 3pva s THR 8 Ca -0.17 -0.32 0.27 0.00 -1.18 0.00 0.00 61.69 60.28 3pva s THR 8 Cb -0.18 -2.73 0.16 0.00 1.34 0.00 0.00 72.50 71.10 3pva s THR 8 CO 0.08 0.00 1.66 0.35 -0.54 0.00 0.00 174.62 176.18 3pva n THR 9 N -3.29 0.19 1.03 3.99 -2.24 0.41 -3.29 114.28 111.07 3pva n THR 9 Ca 0.16 -0.11 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 3pva n THR 9 Cb 0.60 -0.27 0.56 0.00 -2.10 0.00 0.00 70.33 69.12 3pva n THR 9 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3pva n ASP 10 N -1.77 0.00 -1.84 3.42 2.03 -1.23 -4.89 116.55 112.27 3pva n ASP 10 Ca 0.06 0.08 -0.12 0.00 0.52 0.00 0.00 54.79 55.33 3pva n ASP 10 Cb 0.38 -0.34 0.03 0.00 -0.72 0.00 0.00 41.12 40.47 3pva n ASP 10 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3pva n ASP 11 N -1.34 -4.03 -4.66 1.67 8.00 -1.21 -5.03 116.55 109.96 3pva n ASP 11 Ca 0.10 -0.21 -0.32 0.00 0.71 0.00 0.00 54.79 55.08 3pva n ASP 11 Cb 0.20 -2.77 -0.09 0.00 -0.02 0.00 0.00 41.12 38.45 3pva n ASP 11 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3pva s LYS 12 N -5.38 2.62 -0.13 -1.24 1.02 -1.26 -4.93 119.74 110.45 3pva s LYS 12 Ca 0.22 -0.73 -0.01 0.00 0.02 0.00 0.00 55.97 55.48 3pva s LYS 12 Cb -0.10 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 34.62 3pva s LYS 12 CO 0.27 0.59 -0.12 -1.12 -0.92 0.00 0.00 175.35 174.06 3pva s SER 13 N -1.78 4.14 0.08 2.83 0.01 -1.26 -0.39 113.70 117.32 3pva s SER 13 Ca 0.21 -0.29 0.06 0.00 1.31 0.00 0.00 55.95 57.25 3pva s SER 13 Cb -0.11 -1.60 -0.03 0.00 0.21 0.00 0.00 66.02 64.48 3pva s SER 13 CO 0.12 0.18 -0.17 -0.76 0.41 0.00 0.00 173.24 173.01 3pva s LEU 14 N 0.29 2.26 0.00 2.44 1.02 -0.68 -0.78 118.68 123.23 3pva s LEU 14 Ca -0.09 -0.61 0.04 0.00 0.02 0.00 0.00 54.13 53.49 3pva s LEU 14 Cb -0.15 -0.71 -0.01 0.00 0.02 0.00 0.00 46.19 45.34 3pva s LEU 14 CO 0.05 0.01 -0.12 0.12 0.02 0.00 0.00 176.35 176.43 3pva s PHE 15 N -1.13 1.04 0.04 0.29 5.36 -0.33 -0.92 117.98 122.33 3pva s PHE 15 Ca 0.03 -0.23 -0.04 0.00 -0.96 0.00 0.00 56.93 55.73 3pva s PHE 15 Cb -0.10 -0.66 -0.02 0.00 -0.34 0.00 0.00 43.02 41.91 3pva s PHE 15 CO 0.03 -0.01 0.05 0.00 -1.46 0.00 0.00 175.22 173.83 3pva s ALA 16 N -0.41 0.08 0.06 11.12 0.00 0.73 -0.96 121.76 132.37 3pva s ALA 16 Ca 0.03 -0.69 -0.17 0.00 0.00 0.00 0.00 51.96 51.12 3pva s ALA 16 Cb -0.05 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.35 3pva s ALA 16 CO -0.00 -0.31 0.40 -0.98 0.00 0.00 0.00 175.76 174.88 3pva s ARG 17 N -2.72 0.94 0.12 0.00 1.04 -0.59 -0.83 118.95 116.91 3pva s ARG 17 Ca -0.04 -0.43 0.05 0.00 -1.04 0.00 0.00 55.73 54.26 3pva s ARG 17 Cb -0.01 0.42 -0.04 0.00 -2.04 0.00 0.00 34.95 33.28 3pva s ARG 17 CO -0.05 -0.33 0.08 0.95 -0.04 0.00 0.00 175.30 175.90 3pva s THR 18 N -2.72 4.33 -0.32 4.99 -4.23 0.21 -1.26 115.64 116.64 3pva s THR 18 Ca -0.04 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 3pva s THR 18 Cb -0.00 -3.14 0.07 0.00 1.34 0.00 0.00 72.50 70.77 3pva s THR 18 CO -0.04 0.01 0.02 -0.32 -0.54 0.00 0.00 174.62 173.75 3pva s MET 19 N -2.70 2.13 -0.36 3.99 1.75 -0.55 -3.66 119.30 119.90 3pva s MET 19 Ca 0.29 -1.50 -0.08 0.00 -1.25 0.00 0.00 55.69 53.14 3pva s MET 19 Cb -0.11 -3.20 0.04 0.00 2.84 0.00 0.00 34.83 34.40 3pva s MET 19 CO 0.21 -0.75 0.16 -0.51 -0.65 0.00 0.00 175.02 173.48 3pva s ASP 20 N 1.27 5.51 0.21 1.11 1.01 -1.26 -1.07 116.67 123.44 3pva s ASP 20 Ca -0.00 -1.13 -0.02 0.00 0.71 0.00 0.00 52.55 52.11 3pva s ASP 20 Cb -0.20 -1.94 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 3pva s ASP 20 CO -0.04 -0.37 0.18 0.12 0.21 0.00 0.00 175.17 175.27 3pva s PHE 21 N 1.46 1.09 -1.08 4.23 5.36 -0.95 -4.43 117.98 123.67 3pva s PHE 21 Ca 0.00 -1.32 0.25 0.00 -0.96 0.00 0.00 56.93 54.90 3pva s PHE 21 Cb -0.20 -0.48 0.51 0.00 -0.34 0.00 0.00 43.02 42.52 3pva s PHE 21 CO 0.04 -0.69 1.42 0.25 -1.46 0.00 0.00 175.22 174.78 3pva n THR 22 N -0.30 0.00 -3.75 0.12 -2.24 -1.26 -2.36 114.28 104.49 3pva n THR 22 Ca 0.02 -0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.67 3pva n THR 22 Cb 0.65 0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 69.09 3pva n THR 22 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3pva s MET 23 N -2.95 0.79 -0.57 -0.78 -2.45 -1.26 -4.75 119.30 107.33 3pva s MET 23 Ca 0.12 -0.45 -0.05 0.00 -1.25 0.00 0.00 55.69 54.07 3pva s MET 23 Cb 0.18 0.34 0.15 0.00 1.25 0.00 0.00 34.83 36.75 3pva s MET 23 CO 0.68 -0.25 0.40 -1.21 1.05 0.00 0.00 175.02 175.69 3pva s GLU 24 N -2.36 2.50 0.57 4.11 2.02 -1.26 -5.08 118.70 119.19 3pva s GLU 24 Ca -0.06 -2.26 -0.20 0.00 0.02 0.00 0.00 54.97 52.47 3pva s GLU 24 Cb -0.01 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 3pva s GLU 24 CO -0.02 -1.16 1.21 -1.25 0.02 0.00 0.00 175.26 174.06 3pva s PRO 25 N 0.43 3.13 0.06 0.39 0.04 -1.26 -4.85 135.00 132.94 3pva s PRO 25 Ca 0.13 1.84 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 3pva s PRO 25 Cb -0.21 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 3pva s PRO 25 CO -0.04 -1.08 1.94 -0.51 0.04 0.00 0.00 177.00 177.35 3pva s ASP 26 N -1.52 6.44 0.08 6.66 1.01 -1.26 -4.92 116.67 123.15 3pva s ASP 26 Ca 0.75 2.70 0.04 0.00 0.71 0.00 0.00 52.55 56.75 3pva s ASP 26 Cb -0.30 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.06 3pva s ASP 26 CO 0.34 -1.05 -0.12 -0.44 0.21 0.00 0.00 175.17 174.11 3pva s SER 27 N 4.07 1.51 0.26 0.27 0.01 -1.26 -4.52 113.70 114.05 3pva s SER 27 Ca 0.87 -0.67 -0.19 0.00 1.31 0.00 0.00 55.95 57.27 3pva s SER 27 Cb -0.44 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 65.79 3pva s SER 27 CO 0.41 -0.15 0.65 -1.59 0.41 0.00 0.00 173.24 172.97 3pva s LYS 28 N -2.04 1.69 -0.08 12.44 0.00 -0.98 -4.64 119.74 126.12 3pva s LYS 28 Ca -0.01 -1.02 -0.23 0.00 0.00 0.00 0.00 55.97 54.71 3pva s LYS 28 Cb -0.08 0.57 -0.03 0.00 0.00 0.00 0.00 37.83 38.29 3pva s LYS 28 CO 0.01 -0.76 0.70 0.54 0.00 0.00 0.00 175.35 175.85 3pva s VAL 29 N -3.93 5.04 -0.10 1.79 0.11 0.54 -2.22 120.40 121.63 3pva s VAL 29 Ca 0.13 1.43 0.01 0.00 -2.93 0.00 0.00 61.98 60.62 3pva s VAL 29 Cb -0.04 -4.04 -0.02 0.00 -1.53 0.00 0.00 36.38 30.75 3pva s VAL 29 CO 0.06 0.23 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.29 3pva s ILE 30 N 0.95 3.06 -0.20 7.04 1.01 -0.14 -0.06 121.20 132.86 3pva s ILE 30 Ca 0.37 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 60.26 3pva s ILE 30 Cb -0.17 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 3pva s ILE 30 CO 0.17 0.55 0.08 -0.63 0.00 0.00 0.00 174.94 175.11 3pva s ILE 31 N -0.04 4.78 -0.26 2.92 1.01 0.92 -2.00 121.20 128.54 3pva s ILE 31 Ca -0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.53 3pva s ILE 31 Cb -0.14 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.14 3pva s ILE 31 CO 0.04 0.42 0.04 -0.69 0.00 0.00 0.00 174.94 174.74 3pva s VAL 32 N 0.73 3.87 0.52 2.92 1.01 0.10 -2.62 120.40 126.94 3pva s VAL 32 Ca 0.04 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 3pva s VAL 32 Cb -0.13 -2.87 -0.07 0.00 0.00 0.00 0.00 36.38 33.31 3pva s VAL 32 CO 0.02 0.27 0.96 -2.16 0.00 0.00 0.00 175.10 174.19 3pva s PRO 33 N 1.53 3.86 0.48 2.72 0.04 -1.26 -0.28 135.00 142.09 3pva s PRO 33 Ca 0.05 0.85 -0.22 0.00 0.04 0.00 0.00 61.00 61.71 3pva s PRO 33 Cb -0.16 -2.16 -0.10 0.00 0.04 0.00 0.00 34.50 32.12 3pva s PRO 33 CO 0.01 -0.29 0.82 0.54 0.04 0.00 0.00 177.00 178.12 3pva n ARG 34 N -1.75 0.95 -3.03 4.56 1.74 0.13 -2.59 116.66 116.68 3pva n ARG 34 Ca 0.06 0.35 -0.22 0.00 -0.77 0.00 0.00 57.85 57.27 3pva n ARG 34 Cb 0.54 -1.88 0.02 0.00 -1.02 0.00 0.00 32.46 30.12 3pva n ARG 34 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3pva n ASN 35 N 0.46 -5.37 0.13 0.55 5.03 0.99 -4.76 115.26 112.30 3pva n ASN 35 Ca 0.11 -0.27 -0.22 0.00 0.87 0.00 0.00 54.58 55.07 3pva n ASN 35 Cb 0.42 -4.38 -0.15 0.00 -1.02 0.00 0.00 39.78 34.64 3pva n ASN 35 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 3pva h TYR 36 N -1.11 0.84 0.00 3.10 3.20 -1.70 -3.45 116.97 117.85 3pva h TYR 36 Ca -0.49 -0.62 0.00 0.00 3.14 0.00 0.00 58.73 60.76 3pva h TYR 36 Cb 1.34 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.57 3pva h TYR 36 CO 0.58 1.49 0.00 0.41 -1.64 0.00 0.00 178.16 179.00 3pva n GLY 37 N 1.67 -1.44 3.12 1.82 0.00 -1.26 -4.94 105.19 104.16 3pva n GLY 37 Ca -0.15 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 3pva n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pva s ILE 38 N -0.66 1.57 0.87 -0.61 -1.09 0.51 -4.90 121.20 116.88 3pva s ILE 38 Ca 0.00 -0.74 -0.12 0.00 -2.23 0.00 0.00 60.65 57.56 3pva s ILE 38 Cb 0.00 -1.38 0.11 0.00 -1.58 0.00 0.00 42.46 39.61 3pva s ILE 38 CO 0.00 0.45 1.13 0.54 -1.23 0.00 0.00 174.94 175.83 3pva n ARG 39 N 3.59 -0.16 -0.08 2.79 5.12 -1.26 -1.23 116.66 125.44 3pva n ARG 39 Ca -0.21 0.03 -0.11 0.00 -1.93 0.00 0.00 57.85 55.64 3pva n ARG 39 Cb 0.52 -2.37 -0.08 0.00 -1.16 0.00 0.00 32.46 29.37 3pva n ARG 39 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3pva n LEU 40 N -3.61 2.49 -4.18 0.55 7.94 -1.21 -4.82 117.00 114.17 3pva n LEU 40 Ca 0.12 -0.07 -0.20 0.00 -1.11 0.00 0.00 56.01 54.75 3pva n LEU 40 Cb 0.51 -0.43 -0.13 0.00 0.53 0.00 0.00 43.42 43.90 3pva n LEU 40 CO 0.49 0.70 -0.47 -0.76 -1.11 0.00 0.00 177.39 176.24 3pva s LEU 41 N -5.80 2.23 0.32 -1.96 1.02 -1.26 -0.68 118.68 112.55 3pva s LEU 41 Ca -0.20 -0.55 0.23 0.00 0.02 0.00 0.00 54.13 53.63 3pva s LEU 41 Cb 0.05 -0.61 0.25 0.00 0.02 0.00 0.00 46.19 45.90 3pva s LEU 41 CO 0.41 -0.00 1.40 -0.08 0.02 0.00 0.00 176.35 178.09 3pva h GLU 42 N 4.56 0.00 -0.62 1.70 4.57 -1.94 -3.28 114.58 119.57 3pva h GLU 42 Ca -0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 3pva h GLU 42 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3pva h GLU 42 CO 0.42 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.88 3pva n LYS 43 N -2.84 2.91 -4.26 1.92 5.02 -1.26 -4.90 118.16 114.74 3pva n LYS 43 Ca 0.03 -2.56 -0.18 0.00 -2.02 0.00 0.00 58.31 53.58 3pva n LYS 43 Cb 0.53 -1.55 -0.13 0.00 -0.02 0.00 0.00 35.03 33.86 3pva n LYS 43 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3pva s GLU 44 N -1.15 0.77 -0.05 1.97 2.02 -1.24 -5.06 118.70 115.95 3pva s GLU 44 Ca 0.43 -0.67 0.19 0.00 0.02 0.00 0.00 54.97 54.94 3pva s GLU 44 Cb 0.24 -0.72 0.63 0.00 0.10 0.00 0.00 34.13 34.37 3pva s GLU 44 CO 0.28 0.17 1.53 0.27 0.02 0.00 0.00 175.26 177.53 3pva n ASN 45 N 1.96 4.01 -4.70 -0.19 0.23 -1.26 -4.53 115.26 110.78 3pva n ASN 45 Ca -0.18 -2.21 -0.42 0.00 -0.53 0.00 0.00 54.58 51.23 3pva n ASN 45 Cb 0.55 -0.50 -0.03 0.00 -2.08 0.00 0.00 39.78 37.72 3pva n ASN 45 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3pva s VAL 46 N -1.48 2.96 -0.18 3.53 1.01 -1.26 -4.99 120.40 119.99 3pva s VAL 46 Ca 0.46 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.99 3pva s VAL 46 Cb 0.27 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 33.30 3pva s VAL 46 CO 0.26 0.02 -0.16 -0.69 0.00 0.00 0.00 175.10 174.53 3pva s VAL 47 N 1.96 2.45 -0.06 2.92 1.01 -1.26 -3.28 120.40 124.14 3pva s VAL 47 Ca 0.71 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 61.66 3pva s VAL 47 Cb -0.40 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3pva s VAL 47 CO 0.31 0.51 0.59 -0.63 0.00 0.00 0.00 175.10 175.89 3pva s ILE 48 N 1.15 5.05 -0.05 2.22 -1.09 -0.36 -4.84 121.20 123.28 3pva s ILE 48 Ca 0.01 1.22 -0.28 0.00 -2.23 0.00 0.00 60.65 59.36 3pva s ILE 48 Cb -0.14 -3.93 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 3pva s ILE 48 CO -0.07 0.33 0.92 0.21 -1.23 0.00 0.00 174.94 175.11 3pva s ASN 49 N 0.39 7.23 -0.14 3.58 3.84 -1.26 -0.36 114.94 128.23 3pva s ASN 49 Ca 0.32 1.50 -0.24 0.00 0.21 0.00 0.00 52.86 54.65 3pva s ASN 49 Cb -0.17 -2.53 -0.02 0.00 -0.55 0.00 0.00 41.25 37.98 3pva s ASN 49 CO 0.15 -0.29 0.75 0.54 -2.79 0.00 0.00 177.10 175.46 3pva s ASN 50 N 1.01 6.91 0.24 -4.21 4.22 -1.26 -4.91 114.94 116.94 3pva s ASN 50 Ca 0.47 1.11 -0.04 0.00 -2.14 0.00 0.00 52.86 52.26 3pva s ASN 50 Cb -0.19 -2.42 0.25 0.00 1.28 0.00 0.00 41.25 40.17 3pva s ASN 50 CO 0.22 -0.28 1.72 0.28 -2.04 0.00 0.00 177.10 177.01 3pva h SER 51 N 7.17 0.85 -3.62 3.54 0.02 -1.71 0.28 113.55 120.08 3pva h SER 51 Ca -0.34 -0.22 -0.67 0.00 -0.84 0.00 0.00 61.79 59.72 3pva h SER 51 Cb 1.16 -0.23 -0.17 0.00 0.14 0.00 0.00 62.40 63.30 3pva h SER 51 CO 0.79 0.91 -0.76 -0.31 -1.14 0.00 0.00 176.83 176.33 3pva s TYR 52 N -4.99 2.69 0.36 3.45 2.02 0.56 -4.62 117.35 116.82 3pva s TYR 52 Ca -0.10 -0.18 -0.16 0.00 -0.37 0.00 0.00 57.07 56.25 3pva s TYR 52 Cb 0.14 -1.42 -0.09 0.00 -0.40 0.00 0.00 41.96 40.19 3pva s TYR 52 CO 0.83 0.41 0.80 0.00 -1.57 0.00 0.00 175.55 176.01 3pva s ALA 53 N -1.17 3.24 0.08 3.71 0.00 -1.26 -4.37 121.76 121.99 3pva s ALA 53 Ca 0.20 0.12 -0.21 0.00 0.00 0.00 0.00 51.96 52.07 3pva s ALA 53 Cb -0.11 -2.88 0.05 0.00 0.00 0.00 0.00 23.12 20.19 3pva s ALA 53 CO 0.12 0.23 0.50 -0.59 0.00 0.00 0.00 175.76 176.02 3pva s PHE 54 N -2.09 -0.39 0.01 0.00 -0.12 0.62 -1.86 117.98 114.15 3pva s PHE 54 Ca 0.56 0.30 0.04 0.00 -0.05 0.00 0.00 56.93 57.79 3pva s PHE 54 Cb -0.10 0.35 -0.01 0.00 -0.63 0.00 0.00 43.02 42.63 3pva s PHE 54 CO 0.18 -0.69 -0.13 0.54 -0.05 0.00 0.00 175.22 175.08 3pva s VAL 55 N -2.97 0.99 0.00 -2.49 0.11 0.10 0.03 120.40 116.16 3pva s VAL 55 Ca -0.02 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 3pva s VAL 55 Cb -0.00 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 3pva s VAL 55 CO -0.06 0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.46 3pva n GLY 56 N 2.40 0.54 3.78 6.54 0.00 -0.84 -0.82 105.19 116.79 3pva n GLY 56 Ca -0.16 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 3pva n GLY 56 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3pva s MET 57 N -0.81 3.99 0.00 1.61 -2.45 -1.19 -0.97 119.30 119.47 3pva s MET 57 Ca 0.00 0.02 0.00 0.00 -1.25 0.00 0.00 55.69 54.46 3pva s MET 57 Cb 0.00 -3.33 0.00 0.00 1.25 0.00 0.00 34.83 32.75 3pva s MET 57 CO 0.00 0.45 0.00 0.41 1.05 0.00 0.00 175.02 176.93 3pva n GLY 58 N 2.83 2.16 3.29 2.11 0.00 -0.94 0.07 105.19 114.71 3pva n GLY 58 Ca -0.15 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 3pva n GLY 58 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3pva s SER 59 N 0.40 2.61 -0.15 1.61 0.15 0.48 -2.33 113.70 116.46 3pva s SER 59 Ca 0.00 -0.68 0.17 0.00 0.70 0.00 0.00 55.95 56.14 3pva s SER 59 Cb 0.00 -0.15 0.42 0.00 -1.71 0.00 0.00 66.02 64.58 3pva s SER 59 CO 0.00 0.08 1.31 0.35 1.20 0.00 0.00 173.24 176.18 3pva n THR 60 N 1.15 2.06 0.79 6.45 -2.24 -1.26 -0.19 114.28 121.04 3pva n THR 60 Ca -0.19 -1.95 0.13 0.00 -2.27 0.00 0.00 64.05 59.77 3pva n THR 60 Cb 0.53 -0.20 0.45 0.00 -2.10 0.00 0.00 70.33 69.02 3pva n THR 60 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3pva n ASP 61 N -0.79 0.47 -3.15 3.42 8.00 -1.26 -4.85 116.55 118.40 3pva n ASP 61 Ca 0.18 0.44 -0.13 0.00 0.71 0.00 0.00 54.79 55.99 3pva n ASP 61 Cb 0.77 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 41.34 3pva n ASP 61 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3pva n ILE 62 N -1.90 0.00 0.03 0.53 -5.35 -1.26 -5.01 119.36 106.39 3pva n ILE 62 Ca 0.06 -0.98 -0.13 0.00 -0.27 0.00 0.00 62.75 61.43 3pva n ILE 62 Cb 0.39 0.05 -0.08 0.00 -1.74 0.00 0.00 39.64 38.26 3pva n ILE 62 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3pva h THR 63 N 0.94 0.00 -2.42 7.28 2.02 -1.96 -3.42 112.91 115.35 3pva h THR 63 Ca -0.17 0.00 -0.52 0.00 0.77 0.00 0.00 66.41 66.49 3pva h THR 63 Cb 0.54 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 3pva h THR 63 CO 0.27 0.00 -0.48 -0.44 0.37 0.00 0.00 175.52 175.24 3pva s SER 64 N -4.33 6.05 0.25 4.18 0.01 -1.26 -5.00 113.70 113.60 3pva s SER 64 Ca -0.13 0.02 -0.31 0.00 1.31 0.00 0.00 55.95 56.84 3pva s SER 64 Cb 0.05 -1.73 -0.12 0.00 0.21 0.00 0.00 66.02 64.44 3pva s SER 64 CO 0.49 0.01 1.59 -2.65 0.41 0.00 0.00 173.24 173.08 3pva n PRO 65 N -0.86 2.55 -3.62 12.44 -0.02 -1.26 -4.85 135.00 139.37 3pva n PRO 65 Ca -0.08 0.91 -0.38 0.00 -2.02 0.00 0.00 63.50 61.93 3pva n PRO 65 Cb 0.56 -2.69 -0.11 0.00 -0.02 0.00 0.00 33.50 31.24 3pva n PRO 65 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3pva s VAL 66 N 0.32 4.98 -0.12 -1.45 1.01 0.73 -4.82 120.40 121.04 3pva s VAL 66 Ca 0.68 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 3pva s VAL 66 Cb -0.54 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3pva s VAL 66 CO 0.44 0.19 -0.00 -0.76 0.00 0.00 0.00 175.10 174.97 3pva s LEU 67 N 1.70 3.50 -0.01 3.92 1.02 -1.26 -0.39 118.68 127.15 3pva s LEU 67 Ca 0.06 0.04 -0.02 0.00 0.02 0.00 0.00 54.13 54.24 3pva s LEU 67 Cb -0.16 -1.83 -0.27 0.00 0.02 0.00 0.00 46.19 43.95 3pva s LEU 67 CO 0.09 0.28 0.80 1.88 0.02 0.00 0.00 176.35 179.41 3pva h TYR 68 N 5.89 0.41 -2.84 0.29 0.05 -0.74 -3.42 116.97 116.61 3pva h TYR 68 Ca -0.42 -0.30 0.06 0.00 0.05 0.00 0.00 58.73 58.12 3pva h TYR 68 Cb 1.19 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.88 3pva h TYR 68 CO 0.59 1.38 0.33 0.16 -1.05 0.00 0.00 178.16 179.57 3pva s ASP 69 N -6.90 -0.11 0.00 3.88 1.47 -1.23 -0.17 116.67 113.61 3pva s ASP 69 Ca -0.10 -0.80 0.00 0.00 1.18 0.00 0.00 52.55 52.83 3pva s ASP 69 Cb 0.07 0.71 0.00 0.00 -0.34 0.00 0.00 42.92 43.36 3pva s ASP 69 CO 0.84 -1.37 0.00 0.61 0.68 0.00 0.00 175.17 175.93 3pva n GLY 70 N -0.52 1.27 3.39 2.12 0.00 -0.68 -3.20 105.19 107.58 3pva n GLY 70 Ca -0.06 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 3pva n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pva s VAL 71 N -2.00 2.08 0.56 1.61 1.01 0.00 -2.38 120.40 121.27 3pva s VAL 71 Ca 0.00 -2.21 0.05 0.00 0.00 0.00 0.00 61.98 59.82 3pva s VAL 71 Cb 0.00 -2.10 0.06 0.00 0.00 0.00 0.00 36.38 34.34 3pva s VAL 71 CO 0.00 -0.42 0.77 0.20 0.00 0.00 0.00 175.10 175.64 3pva s ASN 72 N -3.19 5.14 0.11 3.32 0.02 -0.70 -0.73 114.94 118.93 3pva s ASN 72 Ca 0.24 -0.39 0.26 0.00 -1.02 0.00 0.00 52.86 51.94 3pva s ASN 72 Cb -0.04 -0.36 0.72 0.00 0.02 0.00 0.00 41.25 41.59 3pva s ASN 72 CO 0.10 -1.24 1.63 -1.84 0.02 0.00 0.00 177.10 175.77 3pva n GLU 73 N -2.29 0.18 0.01 -0.60 0.28 -0.78 -2.86 120.64 114.59 3pva n GLU 73 Ca 0.11 0.11 0.11 0.00 -0.16 0.00 0.00 57.16 57.33 3pva n GLU 73 Cb 0.60 -1.67 0.11 0.00 1.43 0.00 0.00 31.44 31.91 3pva n GLU 73 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3pva n LYS 74 N -1.97 0.05 0.00 3.44 4.01 -1.26 -4.99 118.16 117.44 3pva n LYS 74 Ca 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 3pva n LYS 74 Cb 0.40 -1.52 0.00 0.00 -0.51 0.00 0.00 35.03 33.40 3pva n LYS 74 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3pva n GLY 75 N 1.48 0.40 3.72 0.72 0.00 -1.13 -4.74 105.19 105.64 3pva n GLY 75 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3pva n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3pva s LEU 76 N 0.00 4.44 0.16 0.99 2.96 -1.26 -3.14 118.68 122.83 3pva s LEU 76 Ca 0.00 1.88 0.10 0.00 -0.22 0.00 0.00 54.13 55.90 3pva s LEU 76 Cb 0.00 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 3pva s LEU 76 CO 0.00 -0.22 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.57 3pva s MET 77 N 0.32 1.69 0.05 1.98 -1.94 0.12 -1.72 119.30 119.80 3pva s MET 77 Ca 0.51 -1.34 -0.28 0.00 -1.71 0.00 0.00 55.69 52.87 3pva s MET 77 Cb -0.26 -2.00 0.10 0.00 2.01 0.00 0.00 34.83 34.68 3pva s MET 77 CO 0.31 0.44 1.16 0.20 -0.01 0.00 0.00 175.02 177.12 3pva s GLY 78 N -2.43 -0.35 0.09 -0.03 0.00 -1.00 0.28 107.32 103.88 3pva s GLY 78 Ca 0.20 0.49 -0.25 0.00 0.00 0.00 0.00 44.72 45.15 3pva s GLY 78 CO 0.10 0.08 0.60 0.00 0.00 0.00 0.00 173.10 173.88 3pva s ALA 79 N -2.75 -1.58 -0.19 3.20 0.00 -0.52 -1.68 121.76 118.24 3pva s ALA 79 Ca 0.13 0.70 -0.15 0.00 0.00 0.00 0.00 51.96 52.65 3pva s ALA 79 Cb 0.02 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 3pva s ALA 79 CO -0.02 -0.62 0.34 -1.64 0.00 0.00 0.00 175.76 173.82 3pva s MET 80 N -2.90 4.20 0.18 0.00 -1.94 0.76 -2.28 119.30 117.31 3pva s MET 80 Ca -0.03 0.13 0.07 0.00 -1.71 0.00 0.00 55.69 54.15 3pva s MET 80 Cb -0.01 -3.50 -0.04 0.00 2.01 0.00 0.00 34.83 33.29 3pva s MET 80 CO -0.05 0.07 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.36 3pva s LEU 81 N 0.99 2.50 0.63 -0.03 1.02 -0.47 -4.93 118.68 118.38 3pva s LEU 81 Ca 0.17 -0.94 -0.18 0.00 0.02 0.00 0.00 54.13 53.20 3pva s LEU 81 Cb -0.14 -0.67 -0.02 0.00 0.02 0.00 0.00 46.19 45.38 3pva s LEU 81 CO 0.06 -0.14 1.23 -0.47 0.02 0.00 0.00 176.35 177.05 3pva s TYR 82 N -2.60 2.25 -0.41 0.29 5.04 -1.26 -0.49 117.35 120.17 3pva s TYR 82 Ca 0.18 1.52 0.09 0.00 -2.44 0.00 0.00 57.07 56.42 3pva s TYR 82 Cb -0.03 -3.54 0.32 0.00 0.35 0.00 0.00 41.96 39.07 3pva s TYR 82 CO 0.06 -2.47 0.86 0.98 -1.34 0.00 0.00 175.55 173.63 3pva n TYR 83 N -1.86 -1.15 -1.77 4.97 9.36 0.28 -4.19 117.16 122.80 3pva n TYR 83 Ca 0.14 -3.08 -0.40 0.00 3.32 0.00 0.00 57.90 57.87 3pva n TYR 83 Cb 0.49 0.42 0.01 0.00 -0.63 0.00 0.00 39.34 39.64 3pva n TYR 83 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3pva n ALA 84 N 0.48 2.22 -0.11 2.98 0.00 -1.26 -1.64 120.51 123.18 3pva n ALA 84 Ca 0.17 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3pva n ALA 84 Cb 0.66 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.70 3pva n ALA 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3pva n THR 85 N 0.09 0.00 0.00 0.00 -1.04 -1.26 -4.63 114.28 107.44 3pva n THR 85 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3pva n THR 85 Cb 0.40 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 3pva n THR 85 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3pva n PHE 86 N -2.00 0.00 -1.80 -1.42 3.72 -1.11 -5.03 117.46 109.82 3pva n PHE 86 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 3pva n PHE 86 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 3pva n PHE 86 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3pva s ALA 87 N -1.94 3.87 -0.09 4.37 0.00 -0.65 -4.07 121.76 123.25 3pva s ALA 87 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.46 3pva s ALA 87 Cb 0.00 -3.68 0.02 0.00 0.00 0.00 0.00 23.12 19.47 3pva s ALA 87 CO 0.00 -0.90 -0.07 0.99 0.00 0.00 0.00 175.76 175.78 3pva s THR 88 N 1.30 0.91 0.01 0.00 2.01 0.24 -4.93 115.64 115.19 3pva s THR 88 Ca 0.74 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.52 3pva s THR 88 Cb -0.47 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 3pva s THR 88 CO 0.32 0.34 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.14 3pva s TYR 89 N 1.40 2.71 0.80 4.92 2.02 -1.26 -4.57 117.35 123.36 3pva s TYR 89 Ca -0.01 -0.16 -0.12 0.00 -0.37 0.00 0.00 57.07 56.41 3pva s TYR 89 Cb -0.13 -1.55 0.07 0.00 -0.40 0.00 0.00 41.96 39.95 3pva s TYR 89 CO -0.04 0.28 1.11 0.00 -1.57 0.00 0.00 175.55 175.33 3pva s ALA 90 N -0.92 2.34 -0.08 3.71 0.00 -0.97 -4.47 121.76 121.38 3pva s ALA 90 Ca 0.15 -0.32 -0.13 0.00 0.00 0.00 0.00 51.96 51.65 3pva s ALA 90 Cb -0.11 -3.07 -0.29 0.00 0.00 0.00 0.00 23.12 19.66 3pva s ALA 90 CO 0.05 -1.69 0.61 -0.44 0.00 0.00 0.00 175.76 174.30 3pva h ASP 91 N -1.06 0.50 -4.21 0.00 3.32 -1.96 -0.88 116.42 112.13 3pva h ASP 91 Ca -0.47 -0.90 -0.49 0.00 0.02 0.00 0.00 57.03 55.19 3pva h ASP 91 Cb 1.28 -0.16 -0.21 0.00 0.22 0.00 0.00 39.33 40.46 3pva h ASP 91 CO 0.61 1.71 -0.80 -1.61 -1.72 0.00 0.00 179.24 177.43 3pva s GLU 92 N -2.53 1.03 0.63 3.56 0.41 -1.26 -4.75 118.70 115.79 3pva s GLU 92 Ca -0.18 -1.13 -0.18 0.00 -0.41 0.00 0.00 54.97 53.07 3pva s GLU 92 Cb 0.05 -1.15 -0.02 0.00 -1.78 0.00 0.00 34.13 31.22 3pva s GLU 92 CO 0.81 0.26 1.22 -2.30 -0.49 0.00 0.00 175.26 174.75 3pva n PRO 93 N 1.01 1.10 -1.72 0.39 -0.02 -1.26 -4.96 135.00 129.54 3pva n PRO 93 Ca -0.19 0.43 -0.33 0.00 -2.02 0.00 0.00 63.50 61.39 3pva n PRO 93 Cb 0.54 -2.44 0.05 0.00 -0.02 0.00 0.00 33.50 31.63 3pva n PRO 93 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3pva s LYS 94 N -3.18 2.82 -0.24 -0.52 -0.14 -1.26 -4.88 119.74 112.34 3pva s LYS 94 Ca 0.80 1.30 -0.39 0.00 -1.36 0.00 0.00 55.97 56.33 3pva s LYS 94 Cb -0.39 -1.96 -0.15 0.00 -1.68 0.00 0.00 37.83 33.65 3pva s LYS 94 CO 0.43 -1.22 1.80 0.36 -0.76 0.00 0.00 175.35 175.96 3pva n LYS 95 N -2.56 1.39 0.00 1.68 0.00 -1.26 -2.21 118.16 115.21 3pva n LYS 95 Ca 0.10 0.51 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 3pva n LYS 95 Cb 0.52 -2.25 0.00 0.00 -0.00 0.00 0.00 35.03 33.30 3pva n LYS 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3pva n GLY 96 N 4.38 3.00 3.71 2.58 0.00 -1.26 -5.05 105.19 112.55 3pva n GLY 96 Ca 0.26 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 3pva n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3pva s THR 97 N -0.40 2.63 0.07 2.61 -4.23 -0.94 -5.01 115.64 110.38 3pva s THR 97 Ca 0.00 0.20 0.04 0.00 -1.18 0.00 0.00 61.69 60.75 3pva s THR 97 Cb 0.00 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 3pva s THR 97 CO 0.00 -0.27 0.02 -0.89 -0.54 0.00 0.00 174.62 172.94 3pva s THR 98 N -2.90 4.16 0.48 3.99 2.01 -0.19 -4.67 115.64 118.52 3pva s THR 98 Ca 0.64 -0.88 -0.20 0.00 0.31 0.00 0.00 61.69 61.55 3pva s THR 98 Cb -0.18 -2.97 -0.09 0.00 0.01 0.00 0.00 72.50 69.27 3pva s THR 98 CO 0.57 0.16 1.03 -0.83 -0.69 0.00 0.00 174.62 174.86 3pva s GLY 99 N -2.22 2.52 -0.02 4.40 0.00 -1.26 -0.91 107.32 109.83 3pva s GLY 99 Ca 0.26 0.60 0.01 0.00 0.00 0.00 0.00 44.72 45.59 3pva s GLY 99 CO 0.18 0.92 -0.03 -1.50 0.00 0.00 0.00 173.10 172.67 3pva s ILE 100 N -1.97 0.35 0.12 0.90 2.07 0.60 -4.52 121.20 118.75 3pva s ILE 100 Ca 0.66 -0.11 -0.31 0.00 -1.41 0.00 0.00 60.65 59.48 3pva s ILE 100 Cb -0.16 -0.35 -0.08 0.00 0.13 0.00 0.00 42.46 42.00 3pva s ILE 100 CO 0.20 0.14 1.39 0.21 -1.91 0.00 0.00 174.94 174.96 3pva s ASN 101 N 0.38 6.82 0.58 4.50 3.84 0.14 -1.54 114.94 129.65 3pva s ASN 101 Ca -0.04 2.33 0.28 0.00 0.21 0.00 0.00 52.86 55.65 3pva s ASN 101 Cb -0.07 -2.59 1.49 0.00 -0.55 0.00 0.00 41.25 39.53 3pva s ASN 101 CO -0.00 -0.65 1.94 -0.65 -2.79 0.00 0.00 177.10 174.95 3pva h PRO 102 N 6.76 0.00 0.00 0.43 0.11 -1.87 0.32 132.00 137.74 3pva h PRO 102 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3pva h PRO 102 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3pva h PRO 102 CO 0.86 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.93 3pva h VAL 103 N 0.00 0.00 -0.02 3.15 2.07 -1.92 -3.21 116.25 116.32 3pva h VAL 103 Ca 0.22 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3pva h VAL 103 Cb 1.09 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 3pva h VAL 103 CO -0.00 0.00 -0.12 -1.22 0.02 0.00 0.00 177.57 176.24 3pva n TYR 104 N -2.41 0.00 -0.21 1.57 4.01 0.10 -4.51 117.16 115.71 3pva n TYR 104 Ca 0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.77 3pva n TYR 104 Cb 0.36 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.49 3pva n TYR 104 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3pva h VAL 105 N 3.15 0.88 -0.20 -0.72 2.07 -1.58 -2.07 116.25 117.78 3pva h VAL 105 Ca 0.00 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 3pva h VAL 105 Cb 0.73 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3pva h VAL 105 CO 0.00 0.10 0.01 0.40 0.02 0.00 0.00 177.57 178.10 3pva h ILE 106 N 0.54 1.24 -0.18 4.57 1.08 -1.83 0.81 117.51 123.73 3pva h ILE 106 Ca 0.29 -0.82 0.02 0.00 -0.39 0.00 0.00 64.86 63.96 3pva h ILE 106 Cb 0.27 1.40 -0.02 0.00 -3.07 0.00 0.00 36.82 35.41 3pva h ILE 106 CO -0.23 0.25 0.06 0.28 -0.69 0.00 0.00 178.15 177.81 3pva h SER 107 N 0.11 0.06 -0.23 1.72 0.02 -1.76 0.79 113.55 114.25 3pva h SER 107 Ca 0.06 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3pva h SER 107 Cb 0.36 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 3pva h SER 107 CO 0.01 0.06 0.14 1.56 -1.14 0.00 0.00 176.83 177.45 3pva h GLN 108 N 0.14 0.32 -0.27 3.45 1.08 -1.33 -0.06 115.11 118.44 3pva h GLN 108 Ca 0.08 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.21 3pva h GLN 108 Cb 0.06 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 3pva h GLN 108 CO -0.09 0.26 0.02 0.28 -0.95 0.00 0.00 178.83 178.35 3pva h VAL 109 N 0.28 1.24 -0.68 -0.54 2.07 -0.48 -2.53 116.25 115.62 3pva h VAL 109 Ca 0.08 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.67 3pva h VAL 109 Cb 0.03 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3pva h VAL 109 CO -0.02 0.27 0.11 -0.07 0.02 0.00 0.00 177.57 177.89 3pva h LEU 110 N 0.26 1.08 -1.01 2.57 4.07 -0.84 -0.35 115.31 121.09 3pva h LEU 110 Ca 0.08 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.78 3pva h LEU 110 Cb 0.38 -0.29 0.00 0.00 1.08 0.00 0.00 40.66 41.84 3pva h LEU 110 CO 0.01 1.06 0.00 1.23 -1.08 0.00 0.00 178.44 179.66 3pva h GLY 111 N 1.05 0.00 0.00 0.83 0.00 -0.90 -3.37 103.07 100.68 3pva h GLY 111 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3pva h GLY 111 CO 0.01 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.25 3pva n ASN 112 N -2.54 0.17 -4.52 0.19 3.02 -0.89 -0.32 115.26 110.36 3pva n ASN 112 Ca 0.01 -0.59 -0.25 0.00 -0.03 0.00 0.00 54.58 53.73 3pva n ASN 112 Cb 0.25 0.16 -0.09 0.00 -0.61 0.00 0.00 39.78 39.48 3pva n ASN 112 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pva n VAL 114 N -0.45 0.72 -3.36 0.00 0.31 -1.26 -4.77 118.33 109.52 3pva n VAL 114 Ca -0.07 -0.10 -0.20 0.00 -0.01 0.00 0.00 64.34 63.96 3pva n VAL 114 Cb 0.58 -1.69 -0.01 0.00 -0.91 0.00 0.00 33.84 31.82 3pva n VAL 114 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3pva s THR 115 N -2.23 2.67 0.30 2.52 -4.23 -1.26 -4.25 115.64 109.16 3pva s THR 115 Ca -0.15 -1.21 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 3pva s THR 115 Cb 0.06 -2.88 0.15 0.00 1.34 0.00 0.00 72.50 71.17 3pva s THR 115 CO 0.20 0.00 1.84 -0.37 -0.54 0.00 0.00 174.62 175.75 3pva h VAL 116 N 0.82 1.22 -0.80 2.29 -1.51 -1.95 -1.58 116.25 114.74 3pva h VAL 116 Ca -0.40 -0.82 -0.04 0.00 -1.23 0.00 0.00 66.70 64.21 3pva h VAL 116 Cb 1.27 0.81 -0.04 0.00 -2.13 0.00 0.00 31.29 31.21 3pva h VAL 116 CO 0.52 0.29 0.33 0.44 -1.23 0.00 0.00 177.57 177.93 3pva h ASP 117 N 0.66 1.08 -0.92 4.19 3.32 -1.98 -1.51 116.42 121.27 3pva h ASP 117 Ca 0.14 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 57.07 3pva h ASP 117 Cb 0.33 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 3pva h ASP 117 CO 0.01 0.95 0.59 0.44 -1.72 0.00 0.00 179.24 179.51 3pva h ASP 118 N 1.15 0.98 0.08 6.45 3.32 -1.68 -0.74 116.42 125.98 3pva h ASP 118 Ca 0.27 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 3pva h ASP 118 Cb 0.19 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3pva h ASP 118 CO -0.02 0.66 -0.04 0.58 -1.72 0.00 0.00 179.24 178.70 3pva h VAL 119 N 1.13 0.96 -0.53 -1.35 2.07 -1.02 0.15 116.25 117.67 3pva h VAL 119 Ca 0.37 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.78 3pva h VAL 119 Cb 0.04 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3pva h VAL 119 CO -0.13 0.03 0.31 0.40 0.02 0.00 0.00 177.57 178.20 3pva h ILE 120 N -0.17 1.04 0.30 4.57 2.04 -0.80 -2.54 117.51 121.95 3pva h ILE 120 Ca -0.01 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3pva h ILE 120 Cb 0.14 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3pva h ILE 120 CO 0.02 0.11 -0.14 -0.08 0.00 0.00 0.00 178.15 178.06 3pva h GLU 121 N 0.61 -0.38 -0.83 2.37 4.81 -0.99 -3.16 114.58 117.01 3pva h GLU 121 Ca 0.21 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.59 3pva h GLU 121 Cb 0.04 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 3pva h GLU 121 CO -0.10 -0.21 0.54 0.87 -0.73 0.00 0.00 179.01 179.38 3pva h LYS 122 N -0.46 0.65 0.00 1.92 1.79 -0.43 -2.06 116.57 117.98 3pva h LYS 122 Ca -0.04 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3pva h LYS 122 Cb 0.35 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3pva h LYS 122 CO 0.07 0.43 0.00 1.28 -1.08 0.00 0.00 179.45 180.15 3pva n LEU 123 N -4.53 0.49 0.16 2.94 4.32 -0.98 -3.29 117.00 116.12 3pva n LEU 123 Ca 0.15 0.60 0.13 0.00 -0.02 0.00 0.00 56.01 56.87 3pva n LEU 123 Cb 0.41 -0.51 0.53 0.00 -1.62 0.00 0.00 43.42 42.23 3pva n LEU 123 CO 0.31 -0.37 0.89 0.71 -1.22 0.00 0.00 177.39 177.71 3pva h THR 124 N 0.00 0.00 -0.58 -5.08 1.35 -1.42 -2.50 112.91 104.67 3pva h THR 124 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3pva h THR 124 Cb 0.42 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 3pva h THR 124 CO 0.00 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.73 3pva n SER 125 N -2.45 3.71 -4.33 5.36 3.41 -1.21 -4.83 113.62 113.29 3pva n SER 125 Ca 0.02 -1.99 -0.18 0.00 -0.26 0.00 0.00 58.87 56.45 3pva n SER 125 Cb 0.26 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 63.73 3pva n SER 125 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3pva s TYR 126 N -1.17 1.66 -0.08 7.33 2.02 -0.94 -1.02 117.35 125.15 3pva s TYR 126 Ca 0.43 -0.57 -0.01 0.00 -0.37 0.00 0.00 57.07 56.55 3pva s TYR 126 Cb 0.24 -0.79 0.03 0.00 -0.40 0.00 0.00 41.96 41.03 3pva s TYR 126 CO 0.32 0.31 -0.01 0.99 -1.57 0.00 0.00 175.55 175.59 3pva s THR 127 N -2.80 0.46 0.02 -0.71 2.01 -0.08 -4.81 115.64 109.72 3pva s THR 127 Ca 0.20 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 3pva s THR 127 Cb -0.02 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.85 3pva s THR 127 CO 0.06 0.27 1.29 -0.76 -0.69 0.00 0.00 174.62 174.79 3pva s LEU 128 N 1.91 4.33 0.22 4.42 1.02 -1.26 -0.29 118.68 129.02 3pva s LEU 128 Ca 0.04 2.03 0.09 0.00 0.02 0.00 0.00 54.13 56.31 3pva s LEU 128 Cb -0.12 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.48 3pva s LEU 128 CO -0.05 -0.60 -0.03 -0.76 0.02 0.00 0.00 176.35 174.92 3pva s LEU 129 N 1.80 3.14 -1.26 1.79 1.43 -0.59 -2.30 118.68 122.69 3pva s LEU 129 Ca 0.60 -0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 53.04 3pva s LEU 129 Cb -0.30 -1.74 -0.09 0.00 0.03 0.00 0.00 46.19 44.10 3pva s LEU 129 CO 0.27 0.05 2.68 -3.20 0.23 0.00 0.00 176.35 176.37 3pva n ASN 130 N -0.45 7.10 -4.69 2.29 2.85 -0.34 -4.31 115.26 117.72 3pva n ASN 130 Ca -0.08 -2.46 -0.36 0.00 -0.11 0.00 0.00 54.58 51.56 3pva n ASN 130 Cb 0.57 -1.37 -0.08 0.00 1.24 0.00 0.00 39.78 40.14 3pva n ASN 130 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 3pva s GLU 131 N 2.54 4.15 0.98 1.20 2.12 -1.26 -4.91 118.70 123.52 3pva s GLU 131 Ca 0.58 -0.13 -0.17 0.00 0.36 0.00 0.00 54.97 55.61 3pva s GLU 131 Cb 0.16 -3.49 0.23 0.00 0.26 0.00 0.00 34.13 31.29 3pva s GLU 131 CO -0.05 0.15 1.29 0.00 -0.54 0.00 0.00 175.26 176.11 3pva n ALA 132 N 3.97 -1.64 -3.07 6.30 0.00 -1.26 -4.22 120.51 120.58 3pva n ALA 132 Ca -0.14 -1.69 -0.11 0.00 0.00 0.00 0.00 53.44 51.50 3pva n ALA 132 Cb 0.52 -0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.78 3pva n ALA 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3pva s ASN 133 N -5.66 0.05 0.00 0.00 4.22 -1.23 -4.86 114.94 107.47 3pva s ASN 133 Ca 0.73 -0.26 0.16 0.00 -2.14 0.00 0.00 52.86 51.36 3pva s ASN 133 Cb -0.02 0.20 0.78 0.00 1.28 0.00 0.00 41.25 43.48 3pva s ASN 133 CO 0.52 -0.37 1.49 2.30 -2.04 0.00 0.00 177.10 179.00 3pva n ILE 134 N 1.41 0.66 -0.07 0.54 -5.35 -1.26 -0.22 119.36 115.07 3pva n ILE 134 Ca -0.23 0.17 -0.13 0.00 -0.27 0.00 0.00 62.75 62.29 3pva n ILE 134 Cb 0.56 -0.89 -0.12 0.00 -1.74 0.00 0.00 39.64 37.45 3pva n ILE 134 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 3pva h ILE 135 N 0.00 1.58 0.00 7.28 1.08 -1.95 -3.39 117.51 122.11 3pva h ILE 135 Ca 0.00 -2.21 -0.19 0.00 -0.39 0.00 0.00 64.86 62.07 3pva h ILE 135 Cb 0.20 3.01 -0.03 0.00 -3.07 0.00 0.00 36.82 36.92 3pva h ILE 135 CO 0.00 0.54 -1.85 0.18 -0.69 0.00 0.00 178.15 176.33 3pva n LEU 136 N -4.62 0.40 0.00 1.44 4.32 -1.20 -4.98 117.00 112.36 3pva n LEU 136 Ca -0.10 0.18 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 3pva n LEU 136 Cb 0.44 0.19 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 3pva n LEU 136 CO 0.30 0.22 0.00 0.61 -1.22 0.00 0.00 177.39 177.30 3pva n GLY 137 N 1.47 0.86 3.58 -0.72 0.00 0.69 -5.00 105.19 106.07 3pva n GLY 137 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 3pva n GLY 137 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3pva s PHE 138 N -2.82 0.54 -0.39 1.61 -0.71 -1.24 -4.70 117.98 110.27 3pva s PHE 138 Ca 0.00 -0.90 -0.20 0.00 -1.04 0.00 0.00 56.93 54.79 3pva s PHE 138 Cb 0.00 0.17 0.01 0.00 -1.21 0.00 0.00 43.02 41.99 3pva s PHE 138 CO 0.00 -1.09 0.61 0.00 -1.34 0.00 0.00 175.22 173.40 3pva s ALA 139 N -3.58 3.41 0.47 1.99 0.00 -1.26 -3.51 121.76 119.28 3pva s ALA 139 Ca 0.24 -1.06 -0.24 0.00 0.00 0.00 0.00 51.96 50.90 3pva s ALA 139 Cb -0.01 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 3pva s ALA 139 CO 0.12 -1.53 1.40 -1.25 0.00 0.00 0.00 175.76 174.51 3pva s PRO 140 N 2.69 3.56 -0.21 0.00 0.04 -1.26 -4.95 135.00 134.88 3pva s PRO 140 Ca 0.22 2.36 -0.29 0.00 0.04 0.00 0.00 61.00 63.33 3pva s PRO 140 Cb -0.15 -2.56 -0.01 0.00 0.04 0.00 0.00 34.50 31.82 3pva s PRO 140 CO 0.16 -0.89 1.33 -1.25 0.04 0.00 0.00 177.00 176.39 3pva s PRO 141 N -2.56 4.07 0.05 0.56 0.04 -1.26 -4.95 135.00 130.95 3pva s PRO 141 Ca 0.63 1.54 0.01 0.00 0.04 0.00 0.00 61.00 63.22 3pva s PRO 141 Cb -0.43 -3.84 -0.03 0.00 0.04 0.00 0.00 34.50 30.24 3pva s PRO 141 CO 0.54 -0.92 -0.05 -0.51 0.04 0.00 0.00 177.00 176.10 3pva s LEU 142 N 4.01 2.36 0.26 -3.56 1.02 -1.26 -0.56 118.68 120.95 3pva s LEU 142 Ca 0.58 -0.74 0.05 0.00 0.02 0.00 0.00 54.13 54.04 3pva s LEU 142 Cb -0.21 0.02 -0.06 0.00 0.02 0.00 0.00 46.19 45.97 3pva s LEU 142 CO 0.20 -0.38 -0.03 -1.38 0.02 0.00 0.00 176.35 174.78 3pva s HIS 143 N -2.48 1.81 0.08 0.29 -3.43 0.35 -4.49 115.29 107.42 3pva s HIS 143 Ca -0.03 -0.80 0.06 0.00 -0.80 0.00 0.00 55.06 53.48 3pva s HIS 143 Cb -0.02 -1.05 -0.03 0.00 -1.43 0.00 0.00 32.58 30.04 3pva s HIS 143 CO -0.04 0.14 -0.15 0.71 -2.00 0.00 0.00 174.74 173.40 3pva s TYR 144 N -3.18 1.29 -0.01 0.38 2.02 -0.36 -1.37 117.35 116.11 3pva s TYR 144 Ca 0.29 -0.45 0.01 0.00 -0.37 0.00 0.00 57.07 56.55 3pva s TYR 144 Cb 0.05 -0.72 0.00 0.00 -0.40 0.00 0.00 41.96 40.89 3pva s TYR 144 CO 0.11 0.08 -0.05 -0.08 -1.57 0.00 0.00 175.55 174.04 3pva s THR 145 N -1.26 0.42 0.01 -0.71 -1.32 -0.97 -0.60 115.64 111.21 3pva s THR 145 Ca -0.01 -0.18 0.02 0.00 -1.21 0.00 0.00 61.69 60.31 3pva s THR 145 Cb -0.10 -0.38 -0.01 0.00 -1.51 0.00 0.00 72.50 70.50 3pva s THR 145 CO 0.03 0.14 -0.07 -0.36 -2.21 0.00 0.00 174.62 172.15 3pva s PHE 146 N 0.17 0.58 -0.04 9.09 0.08 -0.98 -1.44 117.98 125.43 3pva s PHE 146 Ca -0.02 -0.22 -0.01 0.00 0.12 0.00 0.00 56.93 56.81 3pva s PHE 146 Cb -0.05 -0.36 0.03 0.00 -0.57 0.00 0.00 43.02 42.06 3pva s PHE 146 CO -0.00 -0.03 0.03 0.99 -0.10 0.00 0.00 175.22 176.11 3pva s THR 147 N -0.50 0.06 1.08 0.64 2.01 0.14 -1.34 115.64 117.74 3pva s THR 147 Ca -0.01 0.27 -0.12 0.00 0.31 0.00 0.00 61.69 62.14 3pva s THR 147 Cb -0.05 -0.26 0.24 0.00 0.01 0.00 0.00 72.50 72.45 3pva s THR 147 CO 0.00 0.18 1.06 -1.81 -0.69 0.00 0.00 174.62 173.36 3pva s ASP 148 N 1.79 1.70 0.34 3.53 1.01 -0.65 0.15 116.67 124.54 3pva s ASP 148 Ca 0.01 1.55 0.11 0.00 0.71 0.00 0.00 52.55 54.93 3pva s ASP 148 Cb -0.12 -2.26 0.60 0.00 1.01 0.00 0.00 42.92 42.15 3pva s ASP 148 CO -0.03 -3.76 1.76 0.00 0.21 0.00 0.00 175.17 173.35 3pva h ALA 149 N -2.32 1.26 0.00 5.23 0.00 -1.81 -1.73 119.26 119.89 3pva h ALA 149 Ca -0.57 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 53.94 3pva h ALA 149 Cb 1.32 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3pva h ALA 149 CO 0.51 0.54 -0.04 0.66 0.00 0.00 0.00 179.25 180.92 3pva h SER 150 N 0.05 0.00 0.00 0.00 4.64 -1.92 -3.41 113.55 112.90 3pva h SER 150 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3pva h SER 150 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3pva h SER 150 CO 0.06 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 3pva n GLY 151 N -0.31 0.58 3.71 -0.77 0.00 -0.65 -5.05 105.19 102.71 3pva n GLY 151 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3pva n GLY 151 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pva s GLU 152 N -0.88 4.54 0.04 1.61 2.12 -1.26 -4.83 118.70 120.04 3pva s GLU 152 Ca 0.00 1.30 0.07 0.00 0.36 0.00 0.00 54.97 56.69 3pva s GLU 152 Cb 0.00 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 3pva s GLU 152 CO 0.00 0.00 -0.18 -1.12 -0.54 0.00 0.00 175.26 173.43 3pva s SER 153 N 0.86 3.83 0.23 -1.70 0.01 -1.26 -1.63 113.70 114.03 3pva s SER 153 Ca 0.48 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 57.35 3pva s SER 153 Cb -0.20 -0.63 -0.05 0.00 0.21 0.00 0.00 66.02 65.35 3pva s SER 153 CO 0.26 0.26 0.04 0.27 0.41 0.00 0.00 173.24 174.47 3pva s ILE 154 N -0.92 0.77 -0.04 1.44 -4.36 -0.45 -2.16 121.20 115.47 3pva s ILE 154 Ca 0.15 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.54 3pva s ILE 154 Cb -0.11 -2.41 0.02 0.00 1.25 0.00 0.00 42.46 41.22 3pva s ILE 154 CO 0.05 -0.24 -0.03 -0.69 0.24 0.00 0.00 174.94 174.28 3pva s VAL 155 N -3.60 0.42 -0.16 8.37 1.01 -0.89 -2.33 120.40 123.21 3pva s VAL 155 Ca 0.31 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.26 3pva s VAL 155 Cb 0.07 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.98 3pva s VAL 155 CO 0.09 0.20 -0.19 -0.63 0.00 0.00 0.00 175.10 174.58 3pva s ILE 156 N 1.03 2.25 -0.17 2.22 1.01 0.23 -0.80 121.20 126.96 3pva s ILE 156 Ca -0.09 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.66 3pva s ILE 156 Cb -0.14 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.42 3pva s ILE 156 CO -0.01 0.53 -0.18 -1.61 0.00 0.00 0.00 174.94 173.68 3pva s GLU 157 N 1.01 2.73 -1.26 2.79 2.02 0.50 -1.23 118.70 125.26 3pva s GLU 157 Ca -0.02 -0.77 -0.19 0.00 0.02 0.00 0.00 54.97 54.01 3pva s GLU 157 Cb -0.15 -2.44 0.06 0.00 0.10 0.00 0.00 34.13 31.70 3pva s GLU 157 CO -0.05 -0.24 1.73 -1.25 0.02 0.00 0.00 175.26 175.47 3pva s PRO 158 N 1.34 3.83 0.79 0.39 0.04 -1.26 0.45 135.00 140.59 3pva s PRO 158 Ca 0.04 -1.85 -0.12 0.00 0.04 0.00 0.00 61.00 59.12 3pva s PRO 158 Cb -0.13 -5.50 0.07 0.00 0.04 0.00 0.00 34.50 28.98 3pva s PRO 158 CO -0.12 -2.39 1.16 -0.51 0.04 0.00 0.00 177.00 175.19 3pva s ASP 159 N 4.49 4.63 0.25 6.66 1.01 -0.76 0.81 116.67 133.76 3pva s ASP 159 Ca 0.54 0.81 -0.05 0.00 0.71 0.00 0.00 52.55 54.57 3pva s ASP 159 Cb 0.03 -1.34 0.35 0.00 1.01 0.00 0.00 42.92 42.97 3pva s ASP 159 CO 0.07 -1.83 1.86 0.50 0.21 0.00 0.00 175.17 175.98 3pva h LYS 160 N -0.99 0.99 -0.07 8.23 3.64 -1.88 -0.64 116.57 125.84 3pva h LYS 160 Ca -0.46 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3pva h LYS 160 Cb 1.32 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3pva h LYS 160 CO 0.66 0.65 0.00 0.25 -2.27 0.00 0.00 179.45 178.74 3pva n THR 161 N -4.59 0.09 0.00 1.00 -2.24 -1.26 -5.01 114.28 102.27 3pva n THR 161 Ca 0.13 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3pva n THR 161 Cb 0.18 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3pva n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3pva n GLY 162 N 0.80 0.92 3.69 3.38 0.00 -0.25 -4.99 105.19 108.74 3pva n GLY 162 Ca 0.10 -2.28 -0.43 0.00 0.00 0.00 0.00 46.02 43.41 3pva n GLY 162 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3pva n ILE 163 N -0.80 0.28 -4.33 -0.61 2.08 -1.26 -1.83 119.36 112.90 3pva n ILE 163 Ca 0.00 -0.05 -0.34 0.00 0.56 0.00 0.00 62.75 62.92 3pva n ILE 163 Cb 0.00 -2.07 -0.11 0.00 -0.75 0.00 0.00 39.64 36.71 3pva n ILE 163 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3pva s THR 164 N 2.38 4.13 -0.13 1.39 2.01 0.17 -4.91 115.64 120.69 3pva s THR 164 Ca 0.81 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 62.51 3pva s THR 164 Cb -0.50 -2.81 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 3pva s THR 164 CO 0.37 0.51 -0.07 -0.63 -0.69 0.00 0.00 174.62 174.11 3pva s ILE 165 N 0.12 3.64 -0.23 1.82 -1.09 -1.26 -0.37 121.20 123.83 3pva s ILE 165 Ca 0.01 -0.47 -0.02 0.00 -2.23 0.00 0.00 60.65 57.94 3pva s ILE 165 Cb -0.13 -2.55 0.01 0.00 -1.58 0.00 0.00 42.46 38.21 3pva s ILE 165 CO 0.02 0.53 -0.08 -1.00 -1.23 0.00 0.00 174.94 173.18 3pva s HIS 166 N 0.04 2.98 0.09 3.97 3.76 0.02 -4.99 115.29 121.15 3pva s HIS 166 Ca -0.01 -1.39 -0.05 0.00 -0.15 0.00 0.00 55.06 53.46 3pva s HIS 166 Cb -0.14 -2.04 -0.05 0.00 1.11 0.00 0.00 32.58 31.46 3pva s HIS 166 CO 0.03 -0.69 0.32 1.03 -0.85 0.00 0.00 174.74 174.58 3pva s ARG 167 N 1.36 3.59 -0.21 1.40 0.52 -1.26 -2.11 118.95 122.24 3pva s ARG 167 Ca 0.03 -0.13 -0.15 0.00 -0.52 0.00 0.00 55.73 54.96 3pva s ARG 167 Cb -0.15 -2.96 0.02 0.00 0.52 0.00 0.00 34.95 32.38 3pva s ARG 167 CO -0.06 0.55 0.29 0.36 0.02 0.00 0.00 175.30 176.46 3pva n LYS 168 N 0.47 -0.82 -1.95 3.54 2.85 -0.92 -4.96 118.16 116.37 3pva n LYS 168 Ca -0.06 0.58 -0.14 0.00 -1.05 0.00 0.00 58.31 57.64 3pva n LYS 168 Cb 0.52 -0.87 0.07 0.00 -0.65 0.00 0.00 35.03 34.09 3pva n LYS 168 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3pva n THR 169 N -0.23 0.00 1.09 0.58 -2.24 -1.09 -4.99 114.28 107.40 3pva n THR 169 Ca -0.05 -1.06 0.11 0.00 -2.27 0.00 0.00 64.05 60.78 3pva n THR 169 Cb 0.30 -0.98 0.58 0.00 -2.10 0.00 0.00 70.33 68.13 3pva n THR 169 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3pva n ILE 170 N -2.21 0.27 -2.32 2.28 -5.35 -1.26 -4.76 119.36 106.02 3pva n ILE 170 Ca 0.11 0.07 -0.01 0.00 -0.27 0.00 0.00 62.75 62.64 3pva n ILE 170 Cb 0.38 -0.69 0.00 0.00 -1.74 0.00 0.00 39.64 37.59 3pva n ILE 170 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3pva n GLY 171 N 0.65 0.65 3.03 3.28 0.00 -1.26 -4.89 105.19 106.66 3pva n GLY 171 Ca 0.11 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 3pva n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pva s VAL 172 N -2.60 0.57 -0.29 1.61 1.01 -1.26 -0.92 120.40 118.53 3pva s VAL 172 Ca 0.02 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 3pva s VAL 172 Cb -0.01 -0.57 0.13 0.00 0.00 0.00 0.00 36.38 35.94 3pva s VAL 172 CO 0.02 -0.13 0.93 -0.32 0.00 0.00 0.00 175.10 175.60 3pva s MET 173 N -0.95 0.45 0.00 2.72 1.75 0.11 -4.96 119.30 118.41 3pva s MET 173 Ca -0.04 0.75 0.00 0.00 -1.25 0.00 0.00 55.69 55.15 3pva s MET 173 Cb -0.07 0.11 0.00 0.00 2.84 0.00 0.00 34.83 37.71 3pva s MET 173 CO 0.00 -0.09 0.00 0.25 -0.65 0.00 0.00 175.02 174.53 3pva n THR 174 N 3.64 0.00 -1.92 10.11 -2.24 -1.26 -0.13 114.28 122.48 3pva n THR 174 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3pva n THR 174 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 3pva n THR 174 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3pva n ASN 175 N 0.00 0.22 -4.75 3.42 4.13 -1.25 -4.71 115.26 112.32 3pva n ASN 175 Ca 0.00 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.94 3pva n ASN 175 Cb 0.00 0.00 0.09 0.00 -1.54 0.00 0.00 39.78 38.33 3pva n ASN 175 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3pva s SER 176 N 0.57 4.41 0.00 6.41 0.01 -1.26 -4.75 113.70 119.09 3pva s SER 176 Ca 0.00 2.05 0.00 0.00 1.31 0.00 0.00 55.95 59.31 3pva s SER 176 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 3pva s SER 176 CO 0.00 -2.10 0.00 -0.81 0.41 0.00 0.00 173.24 170.74 3pva n PRO 177 N -3.09 2.64 -1.33 12.44 -0.04 -1.26 -4.36 135.00 140.00 3pva n PRO 177 Ca 0.11 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.24 3pva n PRO 177 Cb 0.52 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.07 3pva n PRO 177 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3pva s GLY 178 N -0.18 2.03 0.17 0.55 0.00 -1.26 -4.86 107.32 103.77 3pva s GLY 178 Ca 0.00 0.61 -0.15 0.00 0.00 0.00 0.00 44.72 45.18 3pva s GLY 178 CO 0.00 1.00 1.71 -1.82 0.00 0.00 0.00 173.10 173.98 3pva h TYR 179 N -0.69 0.04 -0.88 1.90 3.20 -1.99 -1.81 116.97 116.73 3pva h TYR 179 Ca -0.46 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.51 3pva h TYR 179 Cb 1.26 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 39.52 3pva h TYR 179 CO 0.52 -0.05 0.57 1.49 -1.64 0.00 0.00 178.16 179.05 3pva h GLU 180 N 0.14 0.95 0.19 1.82 4.81 -1.99 -0.85 114.58 119.66 3pva h GLU 180 Ca 0.20 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3pva h GLU 180 Cb 0.27 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3pva h GLU 180 CO -0.30 0.63 -0.22 2.35 -0.73 0.00 0.00 179.01 180.74 3pva h TRP 181 N 0.98 -0.59 -0.67 0.92 7.01 -1.69 -1.74 115.95 120.18 3pva h TRP 181 Ca 0.38 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.38 3pva h TRP 181 Cb 0.22 0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.48 3pva h TRP 181 CO -0.00 -0.32 0.38 0.45 -2.79 0.00 0.00 178.44 176.15 3pva h HIS 182 N -0.46 0.90 -0.58 2.65 3.86 -1.30 -0.26 115.15 119.98 3pva h HIS 182 Ca 0.01 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 3pva h HIS 182 Cb 0.44 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 3pva h HIS 182 CO -0.17 0.63 0.14 0.37 0.86 0.00 0.00 177.93 179.76 3pva h GLN 183 N 0.91 0.89 -0.43 2.45 4.15 -1.05 -1.86 115.11 120.17 3pva h GLN 183 Ca 0.24 -0.19 -0.12 0.00 0.77 0.00 0.00 58.65 59.35 3pva h GLN 183 Cb 0.02 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 3pva h GLN 183 CO -0.04 0.80 -0.19 1.15 -1.93 0.00 0.00 178.83 178.63 3pva h THR 184 N 0.86 1.28 -0.83 2.39 2.02 -0.94 -3.08 112.91 114.60 3pva h THR 184 Ca 0.19 -1.33 0.12 0.00 0.77 0.00 0.00 66.41 66.16 3pva h THR 184 Cb 0.32 1.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 3pva h THR 184 CO -0.00 0.45 0.54 -1.13 0.37 0.00 0.00 175.52 175.75 3pva h ASN 185 N 0.70 0.62 -1.01 4.18 -0.00 -0.29 -0.99 115.58 118.80 3pva h ASN 185 Ca 0.10 0.03 0.32 0.00 -0.00 0.00 0.00 56.30 56.74 3pva h ASN 185 Cb 0.75 -0.10 -0.15 0.00 -0.00 0.00 0.00 38.32 38.82 3pva h ASN 185 CO 0.06 0.34 0.58 -0.07 -0.00 0.00 0.00 177.43 178.33 3pva h LEU 186 N 0.67 0.53 -1.69 0.34 3.38 -1.28 -1.73 115.31 115.53 3pva h LEU 186 Ca 0.40 0.18 0.11 0.00 0.09 0.00 0.00 57.88 58.67 3pva h LEU 186 Cb 0.63 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 3pva h LEU 186 CO -0.17 -0.11 0.40 0.03 0.09 0.00 0.00 178.44 178.68 3pva h ARG 187 N 0.35 0.33 0.00 1.13 3.08 -1.36 -1.11 114.38 116.79 3pva h ARG 187 Ca 0.73 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.76 3pva h ARG 187 Cb 1.64 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.62 3pva h ARG 187 CO -0.59 0.22 0.00 0.00 -1.07 0.00 0.00 179.97 178.53 3pva h ALA 188 N 1.70 1.00 -0.17 0.04 0.00 -1.49 -3.19 119.26 117.16 3pva h ALA 188 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3pva h ALA 188 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3pva h ALA 188 CO -0.07 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.84 3pva n TYR 189 N -2.76 0.45 0.18 0.00 4.02 -0.43 -4.74 117.16 113.88 3pva n TYR 189 Ca 0.01 -0.78 0.12 0.00 -0.01 0.00 0.00 57.90 57.23 3pva n TYR 189 Cb 0.27 -0.18 0.62 0.00 -0.02 0.00 0.00 39.34 40.04 3pva n TYR 189 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 176.86 175.01 3pva h ILE 190 N 1.08 0.00 -0.01 -0.72 3.07 -1.54 -0.04 117.51 119.35 3pva h ILE 190 Ca 0.00 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.40 3pva h ILE 190 Cb 1.05 0.53 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 3pva h ILE 190 CO 0.09 0.00 -0.04 0.61 -1.05 0.00 0.00 178.15 177.76 3pva n GLY 191 N -1.22 -0.39 3.55 0.16 0.00 -1.26 -4.68 105.19 101.34 3pva n GLY 191 Ca -0.01 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 3pva n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pva s VAL 192 N -2.10 3.71 0.38 1.61 1.01 -0.03 -4.78 120.40 120.20 3pva s VAL 192 Ca 0.38 0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.79 3pva s VAL 192 Cb 0.21 -4.89 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 3pva s VAL 192 CO 0.38 -1.83 0.11 0.42 0.00 0.00 0.00 175.10 174.18 3pva s THR 193 N 5.84 0.74 0.10 3.92 -4.23 -0.29 -4.90 115.64 116.82 3pva s THR 193 Ca 0.36 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.15 3pva s THR 193 Cb -0.08 -2.46 0.30 0.00 1.34 0.00 0.00 72.50 71.60 3pva s THR 193 CO 0.15 0.00 1.89 -0.65 -0.54 0.00 0.00 174.62 175.47 3pva h PRO 194 N 1.88 0.00 -6.02 3.99 0.11 -1.94 -3.08 132.00 126.95 3pva h PRO 194 Ca -0.37 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.14 3pva h PRO 194 Cb 1.27 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 3pva h PRO 194 CO 0.60 0.12 -0.17 -0.80 -0.21 0.00 0.00 178.00 177.54 3pva s ASN 195 N -5.99 6.84 0.44 -2.05 -0.87 -1.26 -4.65 114.94 107.40 3pva s ASN 195 Ca 0.01 1.00 -0.24 0.00 -1.57 0.00 0.00 52.86 52.05 3pva s ASN 195 Cb 0.09 -2.27 -0.08 0.00 -0.02 0.00 0.00 41.25 38.98 3pva s ASN 195 CO 0.60 0.28 1.23 -2.16 -2.57 0.00 0.00 177.10 174.48 3pva s PRO 196 N -0.91 3.80 0.59 -0.60 0.04 -1.26 -3.69 135.00 132.97 3pva s PRO 196 Ca 0.25 1.96 -0.19 0.00 0.04 0.00 0.00 61.00 63.05 3pva s PRO 196 Cb -0.17 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 3pva s PRO 196 CO 0.14 -0.57 1.22 -1.25 0.04 0.00 0.00 177.00 176.58 3pva s PRO 197 N -2.51 2.98 0.71 0.56 0.04 -1.26 -4.93 135.00 130.60 3pva s PRO 197 Ca 0.61 1.86 -0.14 0.00 0.04 0.00 0.00 61.00 63.37 3pva s PRO 197 Cb -0.33 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.28 3pva s PRO 197 CO 0.41 -1.20 1.15 -0.65 0.04 0.00 0.00 177.00 176.75 3pva s GLN 198 N -3.29 2.39 0.45 4.56 -0.21 -1.26 -4.93 119.66 117.37 3pva s GLN 198 Ca 0.77 1.53 -0.21 0.00 0.02 0.00 0.00 55.36 57.47 3pva s GLN 198 Cb -0.31 -1.89 -0.09 0.00 1.00 0.00 0.00 33.01 31.72 3pva s GLN 198 CO 0.34 -1.59 1.00 -0.51 -2.12 0.00 0.00 175.29 172.41 3pva s ASP 199 N -2.43 6.62 0.42 5.90 1.01 -1.26 -5.02 116.67 121.91 3pva s ASP 199 Ca 0.69 1.85 0.02 0.00 0.71 0.00 0.00 52.55 55.82 3pva s ASP 199 Cb -0.24 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.13 3pva s ASP 199 CO 0.45 -0.59 0.08 2.30 0.21 0.00 0.00 175.17 177.62 3pva n ILE 200 N -0.74 0.00 -4.19 0.77 -5.35 -1.07 -5.01 119.36 103.77 3pva n ILE 200 Ca 0.08 -2.20 -0.16 0.00 -0.27 0.00 0.00 62.75 60.20 3pva n ILE 200 Cb 0.53 0.63 -0.11 0.00 -1.74 0.00 0.00 39.64 38.95 3pva n ILE 200 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 3pva s MET 201 N -3.55 0.89 -0.39 6.28 -1.94 -1.26 -1.93 119.30 117.40 3pva s MET 201 Ca 0.11 -1.16 0.01 0.00 -1.71 0.00 0.00 55.69 52.94 3pva s MET 201 Cb 0.01 -0.65 0.13 0.00 2.01 0.00 0.00 34.83 36.32 3pva s MET 201 CO 0.08 0.11 0.19 -1.64 -0.01 0.00 0.00 175.02 173.75 3pva s MET 202 N -2.65 1.03 7.71 2.03 -1.94 -0.17 -4.96 119.30 120.34 3pva s MET 202 Ca 0.06 -1.65 0.00 0.00 -1.71 0.00 0.00 55.69 52.38 3pva s MET 202 Cb -0.04 -2.10 0.00 0.00 2.01 0.00 0.00 34.83 34.70 3pva s MET 202 CO 0.01 -1.12 0.00 0.41 -0.01 0.00 0.00 175.02 174.31 3pva n GLY 203 N 3.98 3.25 0.78 -0.03 0.00 -1.26 -0.84 105.19 111.07 3pva n GLY 203 Ca 0.06 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3pva n GLY 203 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3pva n ASP 204 N 9.32 2.42 -4.70 1.61 8.00 -1.26 -4.91 116.55 127.03 3pva n ASP 204 Ca 0.00 -1.81 -0.41 0.00 0.71 0.00 0.00 54.79 53.29 3pva n ASP 204 Cb 0.00 -0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 3pva n ASP 204 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3pva s LEU 205 N -1.99 4.27 -0.15 0.64 0.20 -0.02 -5.03 118.68 116.60 3pva s LEU 205 Ca 0.32 1.24 -0.23 0.00 0.69 0.00 0.00 54.13 56.16 3pva s LEU 205 Cb 0.20 -3.20 -0.03 0.00 -0.43 0.00 0.00 46.19 42.74 3pva s LEU 205 CO 0.31 -0.23 0.70 -1.81 -0.29 0.00 0.00 176.35 175.03 3pva s ASP 206 N 0.96 6.85 -0.18 3.68 1.01 -1.26 -1.00 116.67 126.72 3pva s ASP 206 Ca 0.40 1.03 -0.01 0.00 0.71 0.00 0.00 52.55 54.67 3pva s ASP 206 Cb -0.18 -2.39 -0.00 0.00 1.01 0.00 0.00 42.92 41.36 3pva s ASP 206 CO 0.18 -0.26 -0.11 -0.76 0.21 0.00 0.00 175.17 174.43 3pva s LEU 207 N 1.62 2.62 0.07 1.23 1.43 -0.81 -4.99 118.68 119.85 3pva s LEU 207 Ca 0.34 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 3pva s LEU 207 Cb -0.17 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3pva s LEU 207 CO 0.13 0.03 -0.07 0.28 0.23 0.00 0.00 176.35 176.95 3pva s THR 208 N 1.13 0.63 0.71 5.49 -1.32 -1.26 -2.59 115.64 118.42 3pva s THR 208 Ca 0.01 -1.50 -0.16 0.00 -1.21 0.00 0.00 61.69 58.83 3pva s THR 208 Cb -0.14 -1.13 0.02 0.00 -1.51 0.00 0.00 72.50 69.73 3pva s THR 208 CO -0.03 -0.61 1.17 -2.65 -2.21 0.00 0.00 174.62 170.28 3pva n PRO 209 N 0.74 0.67 0.03 7.08 -0.02 -1.26 -4.90 135.00 137.33 3pva n PRO 209 Ca -0.18 0.29 0.05 0.00 -2.02 0.00 0.00 63.50 61.64 3pva n PRO 209 Cb 0.58 -2.41 0.46 0.00 -0.02 0.00 0.00 33.50 32.10 3pva n PRO 209 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3pva h PHE 210 N -0.11 0.45 0.00 6.00 0.04 -2.04 -3.46 116.94 117.82 3pva h PHE 210 Ca -0.49 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.30 3pva h PHE 210 Cb 1.33 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.33 3pva h PHE 210 CO 0.42 0.28 0.00 0.41 -0.60 0.00 0.00 178.31 178.82 3pva n GLY 211 N -1.49 -0.10 3.81 -1.45 0.00 -1.26 -5.16 105.19 99.55 3pva n GLY 211 Ca 0.03 0.53 -0.28 0.00 0.00 0.00 0.00 46.02 46.30 3pva n GLY 211 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3pva s GLN 212 N 1.82 2.23 0.00 1.61 2.00 -1.26 -4.86 119.66 121.20 3pva s GLN 212 Ca 0.00 -2.07 0.00 0.00 -2.00 0.00 0.00 55.36 51.29 3pva s GLN 212 Cb 0.00 -1.90 0.00 0.00 0.80 0.00 0.00 33.01 31.91 3pva s GLN 212 CO 0.00 -0.39 0.00 0.41 -0.50 0.00 0.00 175.29 174.81 3pva n GLY 213 N -1.46 2.38 0.00 2.59 0.00 -1.26 -4.96 105.19 102.48 3pva n GLY 213 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.97 3pva n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pva n ALA 214 N -1.44 1.20 0.24 4.61 0.00 -1.26 -2.51 120.51 121.35 3pva n ALA 214 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.52 3pva n ALA 214 Cb 0.00 -1.06 0.60 0.00 0.00 0.00 0.00 19.45 18.99 3pva n ALA 214 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3pva h GLY 215 N 0.63 0.00 1.11 0.00 0.00 -1.71 -2.41 103.07 100.68 3pva h GLY 215 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3pva h GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3pva n GLY 216 N -0.63 -1.04 3.69 4.60 0.00 -1.04 -1.14 105.19 109.62 3pva n GLY 216 Ca -0.02 -0.19 -0.58 0.00 0.00 0.00 0.00 46.02 45.23 3pva n GLY 216 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3pva n LEU 217 N -1.05 1.99 0.00 0.99 7.94 -0.91 -1.72 117.00 124.24 3pva n LEU 217 Ca 0.22 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.22 3pva n LEU 217 Cb 0.13 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 42.98 3pva n LEU 217 CO 0.19 -0.65 0.00 0.61 -1.11 0.00 0.00 177.39 176.43 3pva n GLY 218 N 3.79 2.69 3.71 -3.96 0.00 -1.26 -4.71 105.19 105.45 3pva n GLY 218 Ca 0.26 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 3pva n GLY 218 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3pva s LEU 219 N 0.00 4.37 0.32 0.99 0.20 -0.70 -4.97 118.68 118.90 3pva s LEU 219 Ca 0.00 2.65 -0.27 0.00 0.69 0.00 0.00 54.13 57.20 3pva s LEU 219 Cb 0.00 -3.59 -0.09 0.00 -0.43 0.00 0.00 46.19 42.08 3pva s LEU 219 CO 0.00 -0.88 1.06 -2.16 -0.29 0.00 0.00 176.35 174.07 3pva s PRO 220 N 1.63 4.47 0.00 0.98 0.04 -1.26 -4.99 135.00 135.88 3pva s PRO 220 Ca 0.73 1.64 0.20 0.00 0.04 0.00 0.00 61.00 63.61 3pva s PRO 220 Cb -0.44 -2.93 0.18 0.00 0.04 0.00 0.00 34.50 31.35 3pva s PRO 220 CO 0.32 0.10 1.16 0.41 0.04 0.00 0.00 177.00 179.04 3pva n GLY 221 N 0.86 0.72 3.74 0.56 0.00 -1.26 -4.89 105.19 104.91 3pva n GLY 221 Ca 0.01 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 3pva n GLY 221 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3pva s ASP 222 N -1.67 3.14 -0.28 1.61 1.47 -1.26 -4.98 116.67 114.69 3pva s ASP 222 Ca 0.25 1.08 0.10 0.00 1.18 0.00 0.00 52.55 55.16 3pva s ASP 222 Cb 0.17 -1.70 0.74 0.00 -0.34 0.00 0.00 42.92 41.79 3pva s ASP 222 CO 0.26 -2.80 1.74 0.49 0.68 0.00 0.00 175.17 175.53 3pva n PHE 223 N -3.94 2.24 -1.18 2.11 3.72 -1.26 -4.35 117.46 114.80 3pva n PHE 223 Ca 0.06 -1.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.15 3pva n PHE 223 Cb 0.58 -0.61 0.10 0.00 -0.94 0.00 0.00 39.48 38.61 3pva n PHE 223 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3pva s THR 224 N -2.79 3.11 0.19 4.37 -4.23 -1.26 -4.75 115.64 110.27 3pva s THR 224 Ca 0.52 0.37 -0.13 0.00 -1.18 0.00 0.00 61.69 61.27 3pva s THR 224 Cb 0.41 -2.78 0.09 0.00 1.34 0.00 0.00 72.50 71.57 3pva s THR 224 CO 0.14 -0.47 1.84 -0.65 -0.54 0.00 0.00 174.62 174.94 3pva h PRO 225 N -1.21 0.72 -0.33 3.99 0.11 -1.93 0.21 132.00 133.56 3pva h PRO 225 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3pva h PRO 225 Cb 1.24 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3pva h PRO 225 CO 0.50 0.48 0.17 0.66 -0.21 0.00 0.00 178.00 179.59 3pva h SER 226 N 0.75 0.42 -0.10 -2.05 4.64 -1.92 0.22 113.55 115.51 3pva h SER 226 Ca 0.23 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3pva h SER 226 Cb -0.03 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 3pva h SER 226 CO -0.08 0.42 0.06 0.00 -0.87 0.00 0.00 176.83 176.37 3pva h ALA 227 N 1.02 0.13 -0.76 5.18 0.00 -1.76 -1.80 119.26 121.28 3pva h ALA 227 Ca 0.11 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3pva h ALA 227 Cb 0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3pva h ALA 227 CO -0.02 -0.36 0.50 0.00 0.00 0.00 0.00 179.25 179.38 3pva h ARG 228 N 0.11 0.79 0.21 0.00 3.08 -0.26 -0.94 114.38 117.37 3pva h ARG 228 Ca 0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3pva h ARG 228 Cb 0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3pva h ARG 228 CO -0.01 0.52 -0.19 0.35 -1.07 0.00 0.00 179.97 179.58 3pva h PHE 229 N 0.82 -0.50 -0.34 3.04 3.04 0.17 -1.78 116.94 121.38 3pva h PHE 229 Ca 0.33 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.33 3pva h PHE 229 Cb 0.24 0.19 -0.05 0.00 2.56 0.00 0.00 35.95 38.89 3pva h PHE 229 CO -0.00 -0.29 0.04 -0.07 -2.02 0.00 0.00 178.31 175.97 3pva h LEU 230 N -0.42 -0.06 -0.31 0.59 4.07 -0.65 -0.47 115.31 118.06 3pva h LEU 230 Ca -0.01 0.07 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 3pva h LEU 230 Cb 0.39 0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 3pva h LEU 230 CO -0.03 0.01 0.18 0.03 -1.08 0.00 0.00 178.44 177.55 3pva h ARG 231 N 0.14 0.43 -0.54 1.13 3.08 -0.98 0.46 114.38 118.11 3pva h ARG 231 Ca 0.17 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3pva h ARG 231 Cb 0.21 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3pva h ARG 231 CO -0.24 0.34 0.10 0.28 -1.07 0.00 0.00 179.97 179.38 3pva h VAL 232 N 0.40 1.25 0.31 2.04 2.07 -1.14 -1.50 116.25 119.68 3pva h VAL 232 Ca 0.11 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 3pva h VAL 232 Cb 0.03 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3pva h VAL 232 CO -0.02 0.34 -0.15 0.00 0.02 0.00 0.00 177.57 177.76 3pva h ALA 233 N 0.99 -0.42 -0.75 1.67 0.00 -0.69 -0.38 119.26 119.70 3pva h ALA 233 Ca 0.16 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3pva h ALA 233 Cb 0.39 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3pva h ALA 233 CO 0.01 -0.58 0.48 1.88 0.00 0.00 0.00 179.25 181.04 3pva h TYR 234 N -0.73 0.91 0.00 0.00 0.05 -0.95 -0.60 116.97 115.65 3pva h TYR 234 Ca -0.04 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.68 3pva h TYR 234 Cb 0.49 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 3pva h TYR 234 CO 0.02 0.54 -0.36 -1.49 -1.05 0.00 0.00 178.16 175.82 3pva h TRP 235 N 0.96 0.00 -0.43 4.88 -0.00 -1.33 -1.72 115.95 118.31 3pva h TRP 235 Ca 0.29 0.00 -0.15 0.00 -0.00 0.00 0.00 58.89 59.03 3pva h TRP 235 Cb -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.12 3pva h TRP 235 CO -0.03 0.36 -0.32 -0.22 -0.00 0.00 0.00 178.44 178.23 3pva h LYS 236 N 0.00 0.97 -0.62 0.49 3.64 -0.40 -0.02 116.57 120.62 3pva h LYS 236 Ca -0.00 -0.47 -0.03 0.00 -1.27 0.00 0.00 60.65 58.88 3pva h LYS 236 Cb 0.99 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 3pva h LYS 236 CO 0.05 1.14 0.28 -0.22 -2.27 0.00 0.00 179.45 178.42 3pva h LYS 237 N 0.81 0.90 0.00 1.90 3.64 -0.67 -3.35 116.57 119.80 3pva h LYS 237 Ca 0.08 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3pva h LYS 237 Cb 0.91 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3pva h LYS 237 CO 0.08 0.74 -1.94 0.66 -2.27 0.00 0.00 179.45 176.73 3pva n TYR 238 N -4.48 0.00 -2.25 1.91 4.01 -0.69 -4.94 117.16 110.72 3pva n TYR 238 Ca 0.04 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.43 3pva n TYR 238 Cb 0.14 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 38.70 3pva n TYR 238 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3pva s THR 239 N -3.37 3.18 0.49 -0.72 -4.23 -0.03 -4.93 115.64 106.02 3pva s THR 239 Ca -0.07 0.73 -0.23 0.00 -1.18 0.00 0.00 61.69 60.93 3pva s THR 239 Cb 0.13 -3.29 -0.08 0.00 1.34 0.00 0.00 72.50 70.60 3pva s THR 239 CO 0.84 -0.17 1.18 -0.62 -0.54 0.00 0.00 174.62 175.31 3pva n GLU 240 N -1.34 1.55 -1.74 3.99 1.02 -1.26 -4.94 120.64 117.92 3pva n GLU 240 Ca 0.12 0.56 -0.42 0.00 -0.02 0.00 0.00 57.16 57.40 3pva n GLU 240 Cb 0.51 -2.32 -0.01 0.00 -0.02 0.00 0.00 31.44 29.60 3pva n GLU 240 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3pva n LYS 241 N -0.40 2.49 -2.45 3.49 4.76 -1.26 -4.94 118.16 119.84 3pva n LYS 241 Ca 0.09 0.88 -0.42 0.00 -2.87 0.00 0.00 58.31 55.99 3pva n LYS 241 Cb 0.42 -2.58 -0.03 0.00 -1.84 0.00 0.00 35.03 31.00 3pva n LYS 241 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3pva s ALA 242 N -0.67 3.37 -0.26 7.82 0.00 -1.26 -4.91 121.76 125.85 3pva s ALA 242 Ca 0.58 0.82 0.20 0.00 0.00 0.00 0.00 51.96 53.57 3pva s ALA 242 Cb -0.52 -3.43 0.09 0.00 0.00 0.00 0.00 23.12 19.26 3pva s ALA 242 CO 0.57 -0.39 1.27 0.87 0.00 0.00 0.00 175.76 178.08 3pva h LYS 243 N 6.59 0.00 0.00 0.00 1.57 -1.92 0.12 116.57 122.93 3pva h LYS 243 Ca -0.42 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.19 3pva h LYS 243 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 3pva h LYS 243 CO 0.80 0.18 0.02 0.27 -0.57 0.00 0.00 179.45 180.14 3pva n ASN 244 N -2.98 -1.61 -0.28 0.86 0.23 -1.26 -3.58 115.26 106.64 3pva n ASN 244 Ca -0.00 -2.65 -0.06 0.00 -0.53 0.00 0.00 54.58 51.35 3pva n ASN 244 Cb 0.64 2.83 0.06 0.00 -2.08 0.00 0.00 39.78 41.23 3pva n ASN 244 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3pva h GLU 245 N 0.00 1.14 -0.31 -3.83 4.81 -1.97 -1.70 114.58 112.71 3pva h GLU 245 Ca -0.28 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 58.73 3pva h GLU 245 Cb 1.12 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 3pva h GLU 245 CO 0.36 0.91 0.04 1.15 -0.73 0.00 0.00 179.01 180.75 3pva h THR 246 N 1.11 1.24 -0.99 0.32 2.02 -1.99 -1.39 112.91 113.23 3pva h THR 246 Ca 0.26 -0.83 0.06 0.00 0.77 0.00 0.00 66.41 66.67 3pva h THR 246 Cb 0.17 1.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.69 3pva h THR 246 CO -0.03 0.27 0.64 -0.33 0.37 0.00 0.00 175.52 176.45 3pva h GLU 247 N 0.35 1.15 -0.31 6.66 5.08 -1.93 -1.46 114.58 124.11 3pva h GLU 247 Ca 0.09 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3pva h GLU 247 Cb 0.36 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3pva h GLU 247 CO 0.01 0.76 0.04 0.78 -1.00 0.00 0.00 179.01 179.60 3pva h GLY 248 N 1.18 0.34 0.86 -3.84 0.00 -0.86 0.57 103.07 101.32 3pva h GLY 248 Ca 0.41 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 3pva h GLY 248 CO -0.15 -0.03 0.04 -2.08 0.00 0.00 0.00 176.54 174.32 3pva h VAL 249 N 0.15 1.15 -0.19 4.60 2.07 -0.55 -0.40 116.25 123.08 3pva h VAL 249 Ca 0.15 -0.45 -0.15 0.00 0.82 0.00 0.00 66.70 67.07 3pva h VAL 249 Cb 0.17 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3pva h VAL 249 CO -0.21 0.13 -0.49 0.71 0.02 0.00 0.00 177.57 177.74 3pva h THR 250 N 0.02 1.32 -0.64 2.57 1.35 -0.94 -1.95 112.91 114.63 3pva h THR 250 Ca 0.04 -1.71 -0.09 0.00 -0.55 0.00 0.00 66.41 64.10 3pva h THR 250 Cb 0.17 1.70 -0.02 0.00 -1.73 0.00 0.00 68.15 68.27 3pva h THR 250 CO -0.00 0.53 0.06 0.78 -0.25 0.00 0.00 175.52 176.64 3pva h ASN 251 N 0.41 1.06 -0.39 5.36 -0.26 0.20 -1.99 115.58 119.97 3pva h ASN 251 Ca 0.02 -0.28 0.00 0.00 -0.56 0.00 0.00 56.30 55.48 3pva h ASN 251 Cb 1.01 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.96 3pva h ASN 251 CO 0.09 1.07 0.26 -0.07 -1.06 0.00 0.00 177.43 177.72 3pva h LEU 252 N 1.00 0.45 -1.40 1.61 3.38 -0.84 -1.82 115.31 117.68 3pva h LEU 252 Ca 0.19 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3pva h LEU 252 Cb 0.49 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3pva h LEU 252 CO 0.02 0.33 -0.12 -0.26 0.09 0.00 0.00 178.44 178.50 3pva h PHE 253 N 0.53 0.00 -0.00 1.13 0.04 -1.21 -1.76 116.94 115.67 3pva h PHE 253 Ca 0.14 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 3pva h PHE 253 Cb -0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.09 3pva h PHE 253 CO -0.05 0.12 -0.04 0.45 -0.60 0.00 0.00 178.31 178.19 3pva h HIS 254 N 0.00 0.04 -0.27 -0.55 3.86 -0.98 -2.72 115.15 114.53 3pva h HIS 254 Ca -0.00 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.23 3pva h HIS 254 Cb 0.58 -0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.01 3pva h HIS 254 CO 0.00 0.81 0.00 0.82 0.86 0.00 0.00 177.93 180.43 3pva h ILE 255 N -0.74 0.81 0.00 2.45 2.04 -1.17 -1.66 117.51 119.23 3pva h ILE 255 Ca -0.01 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3pva h ILE 255 Cb 0.83 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3pva h ILE 255 CO 0.01 0.02 0.00 0.18 0.00 0.00 0.00 178.15 178.35 3pva n LEU 256 N -5.15 0.24 0.20 1.44 4.77 -0.68 -2.24 117.00 115.58 3pva n LEU 256 Ca -0.01 0.56 0.14 0.00 -0.03 0.00 0.00 56.01 56.68 3pva n LEU 256 Cb 0.14 -0.53 0.47 0.00 -2.33 0.00 0.00 43.42 41.17 3pva n LEU 256 CO 0.24 -0.38 0.90 0.77 -1.33 0.00 0.00 177.39 177.60 3pva h SER 257 N 0.00 0.00 0.83 -1.43 4.64 -0.96 -0.27 113.55 116.36 3pva h SER 257 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3pva h SER 257 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3pva h SER 257 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 3pva n SER 258 N -2.78 0.00 -0.80 4.97 3.41 -0.95 -3.10 113.62 114.37 3pva n SER 258 Ca 0.03 0.37 0.05 0.00 -0.26 0.00 0.00 58.87 59.06 3pva n SER 258 Cb 0.37 -0.46 0.12 0.00 -0.26 0.00 0.00 64.21 63.98 3pva n SER 258 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3pva n VAL 259 N -1.46 1.24 -3.09 -3.33 0.24 -0.15 -5.01 118.33 106.77 3pva n VAL 259 Ca 0.08 -2.08 -0.42 0.00 -2.04 0.00 0.00 64.34 59.88 3pva n VAL 259 Cb 0.29 0.23 -0.06 0.00 -1.47 0.00 0.00 33.84 32.82 3pva n VAL 259 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3pva s ASN 260 N -2.57 6.40 -0.33 -1.34 2.47 -0.96 -4.94 114.94 113.67 3pva s ASN 260 Ca 0.32 -0.02 -0.21 0.00 0.42 0.00 0.00 52.86 53.37 3pva s ASN 260 Cb 0.33 -2.33 -0.00 0.00 -1.45 0.00 0.00 41.25 37.79 3pva s ASN 260 CO -0.08 -0.69 0.67 -0.63 -3.72 0.00 0.00 177.10 172.65 3pva s ILE 261 N 2.82 4.88 0.31 -5.21 1.01 -1.26 -4.97 121.20 118.79 3pva s ILE 261 Ca 0.25 0.83 -0.29 0.00 0.00 0.00 0.00 60.65 61.44 3pva s ILE 261 Cb -0.14 -4.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.16 3pva s ILE 261 CO 0.17 -0.24 1.22 -2.84 0.00 0.00 0.00 174.94 173.25 3pva s PRO 262 N 2.74 4.46 0.12 2.79 0.02 -1.26 -2.48 135.00 141.39 3pva s PRO 262 Ca 0.27 2.04 -0.35 0.00 0.02 0.00 0.00 61.00 62.97 3pva s PRO 262 Cb -0.14 -3.10 -0.16 0.00 0.02 0.00 0.00 34.50 31.11 3pva s PRO 262 CO 0.13 -0.03 1.38 1.63 -0.33 0.00 0.00 177.00 179.77 3pva n LYS 263 N 0.93 1.40 0.00 5.54 5.02 -1.26 -2.16 118.16 127.63 3pva n LYS 263 Ca -0.00 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 3pva n LYS 263 Cb 0.43 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 3pva n LYS 263 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3pva n GLY 264 N 2.65 3.48 0.17 0.72 0.00 -1.26 -4.92 105.19 106.03 3pva n GLY 264 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 3pva n GLY 264 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3pva h VAL 265 N 0.00 0.00 -3.23 1.61 -1.51 -1.76 -3.43 116.25 107.93 3pva h VAL 265 Ca 0.00 -0.94 -0.54 0.00 -1.23 0.00 0.00 66.70 63.99 3pva h VAL 265 Cb 0.00 1.74 -0.36 0.00 -2.13 0.00 0.00 31.29 30.55 3pva h VAL 265 CO 0.00 0.00 -0.81 -0.69 -1.23 0.00 0.00 177.57 174.84 3pva s VAL 266 N -3.25 1.15 0.02 7.19 1.01 -1.26 -5.07 120.40 120.18 3pva s VAL 266 Ca 0.05 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.71 3pva s VAL 266 Cb 0.07 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 3pva s VAL 266 CO 0.71 0.38 -0.25 -0.76 0.00 0.00 0.00 175.10 175.18 3pva s LEU 267 N 1.38 2.21 0.00 3.92 1.43 -1.26 -1.15 118.68 125.21 3pva s LEU 267 Ca -0.00 -0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 52.52 3pva s LEU 267 Cb -0.13 -1.34 0.10 0.00 0.03 0.00 0.00 46.19 44.84 3pva s LEU 267 CO -0.05 0.28 0.49 0.35 0.23 0.00 0.00 176.35 177.65 3pva n THR 268 N 2.01 0.00 0.03 5.49 -2.24 0.52 -4.86 114.28 115.24 3pva n THR 268 Ca -0.17 -0.33 -0.06 0.00 -2.27 0.00 0.00 64.05 61.23 3pva n THR 268 Cb 0.52 -1.62 0.13 0.00 -2.10 0.00 0.00 70.33 67.26 3pva n THR 268 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3pva h ASN 269 N -0.94 0.46 0.38 3.42 2.35 -2.01 -1.87 115.58 117.37 3pva h ASN 269 Ca -0.16 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.36 3pva h ASN 269 Cb 0.47 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 3pva h ASN 269 CO 0.11 0.86 -0.02 -0.08 -1.65 0.00 0.00 177.43 176.66 3pva h GLU 270 N 0.35 0.00 0.00 0.81 4.57 -2.05 -3.46 114.58 114.79 3pva h GLU 270 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3pva h GLU 270 Cb 0.95 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 3pva h GLU 270 CO 0.08 0.02 0.00 0.41 -1.18 0.00 0.00 179.01 178.34 3pva n GLY 271 N -0.68 0.74 3.76 1.92 0.00 -0.70 -5.04 105.19 105.19 3pva n GLY 271 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3pva n GLY 271 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3pva s LYS 272 N -0.48 4.64 -0.11 1.61 3.01 -1.26 -4.68 119.74 122.47 3pva s LYS 272 Ca 0.00 1.58 -0.24 0.00 -1.01 0.00 0.00 55.97 56.30 3pva s LYS 272 Cb 0.00 -3.07 -0.03 0.00 -1.01 0.00 0.00 37.83 33.72 3pva s LYS 272 CO 0.00 0.28 0.76 -0.08 0.51 0.00 0.00 175.35 176.82 3pva s THR 273 N -1.31 4.97 -0.39 2.17 -1.32 -1.26 -0.35 115.64 118.14 3pva s THR 273 Ca 0.46 1.53 -0.19 0.00 -1.21 0.00 0.00 61.69 62.28 3pva s THR 273 Cb -0.26 -4.09 0.01 0.00 -1.51 0.00 0.00 72.50 66.65 3pva s THR 273 CO 0.33 0.14 0.53 -0.62 -2.21 0.00 0.00 174.62 172.79 3pva s ASP 274 N 0.99 6.28 0.10 8.08 2.15 -0.30 -4.05 116.67 129.93 3pva s ASP 274 Ca 0.38 -0.29 -0.01 0.00 0.43 0.00 0.00 52.55 53.06 3pva s ASP 274 Cb -0.17 -2.27 -0.04 0.00 -0.30 0.00 0.00 42.92 40.14 3pva s ASP 274 CO 0.16 -0.59 0.01 -0.72 -0.17 0.00 0.00 175.17 173.87 3pva s TYR 275 N 2.44 0.74 -0.75 -5.34 1.13 -0.99 -4.30 117.35 110.26 3pva s TYR 275 Ca 0.18 -1.15 -0.26 0.00 -1.41 0.00 0.00 57.07 54.43 3pva s TYR 275 Cb -0.15 -0.45 -0.00 0.00 -1.10 0.00 0.00 41.96 40.25 3pva s TYR 275 CO 0.15 -0.43 1.64 0.99 -2.51 0.00 0.00 175.55 175.38 3pva s THR 276 N -3.96 3.56 0.07 -3.49 2.01 -1.03 -2.24 115.64 110.56 3pva s THR 276 Ca 0.17 0.05 -0.19 0.00 0.31 0.00 0.00 61.69 62.03 3pva s THR 276 Cb 0.08 -4.40 -0.10 0.00 0.01 0.00 0.00 72.50 68.09 3pva s THR 276 CO -0.03 -1.35 1.47 0.40 -0.69 0.00 0.00 174.62 174.42 3pva h ILE 277 N 6.67 1.28 -3.61 1.82 2.04 -1.42 -3.36 117.51 120.93 3pva h ILE 277 Ca -0.15 -1.05 -0.05 0.00 1.00 0.00 0.00 64.86 64.60 3pva h ILE 277 Cb 1.08 1.50 -0.09 0.00 -0.74 0.00 0.00 36.82 38.58 3pva h ILE 277 CO 1.26 0.33 -0.09 -0.72 0.00 0.00 0.00 178.15 178.93 3pva s TYR 278 N -4.76 0.34 -0.05 1.37 -0.85 -1.25 -1.41 117.35 110.74 3pva s TYR 278 Ca -0.14 -0.71 -0.02 0.00 -0.52 0.00 0.00 57.07 55.68 3pva s TYR 278 Cb 0.07 0.23 0.04 0.00 0.38 0.00 0.00 41.96 42.68 3pva s TYR 278 CO 0.76 -1.03 0.11 0.99 -1.52 0.00 0.00 175.55 174.85 3pva s THR 279 N -3.95 -0.09 0.12 -3.49 2.01 0.73 -1.48 115.64 109.50 3pva s THR 279 Ca 0.22 0.24 0.05 0.00 0.31 0.00 0.00 61.69 62.50 3pva s THR 279 Cb -0.01 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 3pva s THR 279 CO 0.09 0.10 -0.11 -0.94 -0.69 0.00 0.00 174.62 173.07 3pva s SER 280 N 1.39 1.71 0.03 3.53 1.04 -0.39 -0.75 113.70 120.25 3pva s SER 280 Ca -0.06 -0.86 0.01 0.00 0.48 0.00 0.00 55.95 55.52 3pva s SER 280 Cb -0.12 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 65.96 3pva s SER 280 CO -0.05 -0.24 -0.05 0.00 0.98 0.00 0.00 173.24 173.88 3pva s ALA 281 N -2.55 0.32 0.02 5.32 0.00 -0.28 -1.54 121.76 123.04 3pva s ALA 281 Ca 0.09 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.48 3pva s ALA 281 Cb -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 3pva s ALA 281 CO 0.01 -0.07 -0.05 -1.64 0.00 0.00 0.00 175.76 174.01 3pva s MET 282 N -1.29 0.37 -0.15 0.00 -1.94 -0.13 -0.22 119.30 115.95 3pva s MET 282 Ca -0.11 -0.43 0.02 0.00 -1.71 0.00 0.00 55.69 53.46 3pva s MET 282 Cb -0.09 -0.21 0.01 0.00 2.01 0.00 0.00 34.83 36.55 3pva s MET 282 CO -0.00 0.04 -0.22 0.00 -0.01 0.00 0.00 175.02 174.84 3pva h ALA 284 N 7.42 0.62 0.02 0.00 0.00 -1.21 0.01 119.26 126.14 3pva h ALA 284 Ca -0.35 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.18 3pva h ALA 284 Cb 1.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3pva h ALA 284 CO 0.57 0.25 -0.96 1.96 0.00 0.00 0.00 179.25 181.07 3pva h GLN 285 N 0.63 0.21 0.00 0.00 1.08 -1.87 -3.31 115.11 111.85 3pva h GLN 285 Ca 0.16 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 3pva h GLN 285 Cb 0.23 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3pva h GLN 285 CO -0.01 1.02 -1.09 -1.13 -0.95 0.00 0.00 178.83 176.66 3pva n SER 286 N -3.61 0.73 -2.23 1.46 3.41 -1.22 -4.95 113.62 107.21 3pva n SER 286 Ca -0.04 0.25 -0.18 0.00 -0.26 0.00 0.00 58.87 58.63 3pva n SER 286 Cb 0.86 0.63 0.00 0.00 -0.26 0.00 0.00 64.21 65.44 3pva n SER 286 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3pva n LYS 287 N -2.55 -2.26 -3.49 4.33 4.01 -0.01 -4.77 118.16 113.42 3pva n LYS 287 Ca -0.00 0.85 -0.35 0.00 -0.51 0.00 0.00 58.31 58.31 3pva n LYS 287 Cb 0.54 -5.39 -0.06 0.00 -0.51 0.00 0.00 35.03 29.62 3pva n LYS 287 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3pva s ASN 288 N -2.35 6.70 -0.15 4.39 0.02 -1.23 -2.46 114.94 119.86 3pva s ASN 288 Ca 0.08 0.90 0.01 0.00 -1.02 0.00 0.00 52.86 52.82 3pva s ASN 288 Cb -0.03 -2.22 0.00 0.00 0.02 0.00 0.00 41.25 39.02 3pva s ASN 288 CO 0.09 0.13 -0.17 -0.47 0.02 0.00 0.00 177.10 176.70 3pva s TYR 289 N -1.46 2.75 0.01 2.20 5.04 0.46 -2.38 117.35 123.97 3pva s TYR 289 Ca 0.36 -1.15 0.06 0.00 -2.44 0.00 0.00 57.07 53.90 3pva s TYR 289 Cb -0.14 -1.87 -0.03 0.00 0.35 0.00 0.00 41.96 40.27 3pva s TYR 289 CO 0.19 -0.53 -0.17 0.71 -1.34 0.00 0.00 175.55 174.41 3pva s TYR 290 N 0.83 2.58 -0.01 4.97 1.51 0.70 -0.74 117.35 127.20 3pva s TYR 290 Ca -0.05 -0.24 -0.23 0.00 -1.01 0.00 0.00 57.07 55.53 3pva s TYR 290 Cb -0.15 -1.51 0.05 0.00 -0.11 0.00 0.00 41.96 40.24 3pva s TYR 290 CO -0.01 0.22 0.52 -0.59 -1.11 0.00 0.00 175.55 174.58 3pva s PHE 291 N -0.86 -0.44 0.10 2.71 -0.71 -0.24 -1.13 117.98 117.40 3pva s PHE 291 Ca 0.14 0.65 0.04 0.00 -1.04 0.00 0.00 56.93 56.72 3pva s PHE 291 Cb -0.10 0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 41.97 3pva s PHE 291 CO 0.04 -0.56 -0.11 -1.59 -1.34 0.00 0.00 175.22 171.65 3pva s LYS 292 N -1.69 0.86 0.34 1.99 -2.85 0.07 -1.20 119.74 117.25 3pva s LYS 292 Ca -0.10 -1.14 0.06 0.00 -1.00 0.00 0.00 55.97 53.79 3pva s LYS 292 Cb -0.02 -0.61 -0.07 0.00 -2.06 0.00 0.00 37.83 35.08 3pva s LYS 292 CO 0.04 0.10 -0.00 -0.48 0.10 0.00 0.00 175.35 175.11 3pva s LEU 293 N -2.36 2.51 0.22 2.77 0.05 -1.12 -0.19 118.68 120.54 3pva s LEU 293 Ca 0.05 -1.31 -0.18 0.00 0.05 0.00 0.00 54.13 52.75 3pva s LEU 293 Cb -0.04 -0.65 0.21 0.00 -2.05 0.00 0.00 46.19 43.66 3pva s LEU 293 CO 0.01 -0.45 1.57 0.22 -0.55 0.00 0.00 176.35 177.14 3pva h TYR 294 N 2.06 -0.95 -0.21 3.48 3.20 -1.40 -1.89 116.97 121.26 3pva h TYR 294 Ca -0.42 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.54 3pva h TYR 294 Cb 1.24 0.54 0.00 0.00 1.54 0.00 0.00 36.73 40.05 3pva h TYR 294 CO 0.66 -0.39 0.00 -0.25 -1.64 0.00 0.00 178.16 176.54 3pva n ASP 295 N -5.47 1.63 -3.51 -2.11 8.00 -1.26 -4.79 116.55 109.04 3pva n ASP 295 Ca 0.08 -1.78 -0.14 0.00 0.71 0.00 0.00 54.79 53.66 3pva n ASP 295 Cb 0.39 -0.14 -0.12 0.00 -0.02 0.00 0.00 41.12 41.24 3pva n ASP 295 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3pva s ASN 296 N -1.40 0.70 0.00 -2.24 3.04 -0.71 -2.41 114.94 111.93 3pva s ASN 296 Ca 0.29 0.19 0.29 0.00 0.04 0.00 0.00 52.86 53.67 3pva s ASN 296 Cb 0.15 0.71 1.23 0.00 -1.54 0.00 0.00 41.25 41.81 3pva s ASN 296 CO 0.23 -0.29 1.86 -1.54 -3.04 0.00 0.00 177.10 174.32 3pva n SER 297 N 5.34 0.46 -4.68 -4.21 3.41 -1.26 -2.81 113.62 109.88 3pva n SER 297 Ca -0.05 -0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 57.57 3pva n SER 297 Cb 0.50 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 3pva n SER 297 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3pva s ARG 298 N -2.48 4.27 0.20 4.33 3.52 -1.26 -4.95 118.95 122.58 3pva s ARG 298 Ca 0.29 1.84 -0.30 0.00 -0.13 0.00 0.00 55.73 57.42 3pva s ARG 298 Cb 0.20 -3.68 -0.08 0.00 -1.56 0.00 0.00 34.95 29.83 3pva s ARG 298 CO 0.47 -0.62 1.13 0.42 -0.81 0.00 0.00 175.30 175.90 3pva s ILE 299 N 2.87 3.69 -0.01 4.11 1.01 -1.26 -4.59 121.20 127.02 3pva s ILE 299 Ca 0.60 1.49 0.08 0.00 0.00 0.00 0.00 60.65 62.82 3pva s ILE 299 Cb -0.27 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 3pva s ILE 299 CO 0.22 0.27 -0.24 -0.44 0.00 0.00 0.00 174.94 174.75 3pva s SER 300 N -0.18 3.22 -0.00 3.58 0.01 -0.34 -4.92 113.70 115.06 3pva s SER 300 Ca 0.50 -0.46 0.07 0.00 1.31 0.00 0.00 55.95 57.37 3pva s SER 300 Cb -0.31 -0.40 -0.02 0.00 0.21 0.00 0.00 66.02 65.50 3pva s SER 300 CO 0.37 0.31 -0.22 0.00 0.41 0.00 0.00 173.24 174.11 3pva s ALA 301 N -0.68 1.84 -0.04 1.44 0.00 -1.26 -1.08 121.76 121.98 3pva s ALA 301 Ca 0.11 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.13 3pva s ALA 301 Cb -0.10 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 3pva s ALA 301 CO 0.00 0.45 -0.20 0.08 0.00 0.00 0.00 175.76 176.09 3pva s VAL 302 N -0.58 1.64 -0.22 0.00 1.01 0.08 -4.98 120.40 117.36 3pva s VAL 302 Ca 0.09 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 3pva s VAL 302 Cb -0.09 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3pva s VAL 302 CO -0.00 0.47 0.09 -0.55 0.00 0.00 0.00 175.10 175.11 3pva s SER 303 N -0.09 5.59 0.02 3.32 0.15 -1.26 -0.40 113.70 121.03 3pva s SER 303 Ca -0.02 -0.01 -0.25 0.00 0.70 0.00 0.00 55.95 56.36 3pva s SER 303 Cb -0.12 -1.99 -0.18 0.00 -1.71 0.00 0.00 66.02 62.03 3pva s SER 303 CO 0.02 0.07 1.38 0.25 1.20 0.00 0.00 173.24 176.16 3pva h LEU 304 N 7.49 -0.16 -1.41 3.45 5.85 -1.78 -3.19 115.31 125.56 3pva h LEU 304 Ca -0.37 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.11 3pva h LEU 304 Cb 1.17 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3pva h LEU 304 CO 0.64 0.16 0.00 0.23 -0.34 0.00 0.00 178.44 179.13 3pva n MET 305 N -5.04 0.14 0.10 1.25 2.81 -1.26 -1.84 117.12 113.28 3pva n MET 305 Ca -0.09 0.64 0.13 0.00 -1.81 0.00 0.00 57.70 56.57 3pva n MET 305 Cb 0.21 -1.95 0.43 0.00 -0.71 0.00 0.00 33.22 31.20 3pva n MET 305 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3pva n ALA 306 N -1.77 2.16 -2.03 3.04 0.00 -1.20 -4.84 120.51 115.86 3pva n ALA 306 Ca -0.01 -0.01 -0.18 0.00 0.00 0.00 0.00 53.44 53.24 3pva n ALA 306 Cb 0.04 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.05 3pva n ALA 306 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3pva s GLU 307 N -3.13 2.76 -0.42 0.00 0.41 -0.77 -5.05 118.70 112.50 3pva s GLU 307 Ca 0.10 -1.30 -0.27 0.00 -0.41 0.00 0.00 54.97 53.09 3pva s GLU 307 Cb 0.12 -2.72 0.02 0.00 -1.78 0.00 0.00 34.13 29.77 3pva s GLU 307 CO 0.55 -0.32 0.98 1.21 -0.49 0.00 0.00 175.26 177.20 3pva s ASN 308 N -4.36 6.63 0.00 -0.19 2.47 -1.26 -4.90 114.94 113.33 3pva s ASN 308 Ca 0.55 0.45 0.23 0.00 0.42 0.00 0.00 52.86 54.51 3pva s ASN 308 Cb -0.09 -2.48 1.21 0.00 -1.45 0.00 0.00 41.25 38.44 3pva s ASN 308 CO 0.33 -1.00 1.74 0.18 -3.72 0.00 0.00 177.10 174.63 3pva n LEU 309 N 7.13 0.00 -0.81 3.21 4.77 -1.26 -1.94 117.00 128.10 3pva n LEU 309 Ca 0.08 0.20 0.07 0.00 -0.03 0.00 0.00 56.01 56.33 3pva n LEU 309 Cb 0.48 -0.20 0.20 0.00 -2.33 0.00 0.00 43.42 41.57 3pva n LEU 309 CO 0.63 -0.05 0.67 0.59 -1.33 0.00 0.00 177.39 177.89 3pva n ASN 310 N -1.20 3.22 -4.56 -1.43 4.13 -1.26 0.21 115.26 114.36 3pva n ASN 310 Ca 0.13 -2.07 -0.36 0.00 1.68 0.00 0.00 54.58 53.96 3pva n ASN 310 Cb 0.15 -0.31 0.08 0.00 -1.54 0.00 0.00 39.78 38.17 3pva n ASN 310 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3pva n SER 311 N 0.69 -0.16 0.08 6.41 7.64 -0.82 -4.88 113.62 122.57 3pva n SER 311 Ca 0.15 0.63 -0.12 0.00 1.01 0.00 0.00 58.87 60.54 3pva n SER 311 Cb 0.50 -1.34 -0.13 0.00 -1.01 0.00 0.00 64.21 62.23 3pva n SER 311 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3pva h GLN 312 N -0.34 0.13 -6.23 1.43 1.08 -1.93 -3.45 115.11 105.81 3pva h GLN 312 Ca -0.47 -0.23 -0.47 0.00 -1.45 0.00 0.00 58.65 56.03 3pva h GLN 312 Cb 1.34 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.83 3pva h GLN 312 CO 0.45 1.09 -0.43 -0.51 -0.95 0.00 0.00 178.83 178.48 3pva s ASP 313 N -6.90 5.82 0.28 1.46 1.01 -1.26 -4.95 116.67 112.13 3pva s ASP 313 Ca -0.02 -0.20 -0.29 0.00 0.71 0.00 0.00 52.55 52.75 3pva s ASP 313 Cb 0.08 -1.39 -0.10 0.00 1.01 0.00 0.00 42.92 42.53 3pva s ASP 313 CO 0.85 -0.23 1.20 -0.76 0.21 0.00 0.00 175.17 176.44 3pva s LEU 314 N -4.01 4.49 -0.34 1.23 1.02 -1.26 -4.66 118.68 115.15 3pva s LEU 314 Ca 0.38 2.42 -0.08 0.00 0.02 0.00 0.00 54.13 56.88 3pva s LEU 314 Cb -0.08 -3.63 0.03 0.00 0.02 0.00 0.00 46.19 42.53 3pva s LEU 314 CO 0.28 -0.33 0.13 -0.63 0.02 0.00 0.00 176.35 175.81 3pva s ILE 315 N -0.92 4.00 0.11 -0.59 1.01 -1.08 -4.95 121.20 118.78 3pva s ILE 315 Ca 0.48 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 60.20 3pva s ILE 315 Cb -0.35 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 3pva s ILE 315 CO 0.44 -0.15 -0.05 0.42 0.00 0.00 0.00 174.94 175.60 3pva s THR 316 N 1.46 3.65 -0.12 2.92 -4.23 -1.26 -0.06 115.64 118.00 3pva s THR 316 Ca -0.00 -1.18 -0.01 0.00 -1.18 0.00 0.00 61.69 59.32 3pva s THR 316 Cb -0.19 -2.73 0.03 0.00 1.34 0.00 0.00 72.50 70.95 3pva s THR 316 CO 0.04 0.09 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.81 3pva s PHE 317 N -1.30 1.26 0.56 3.99 0.40 0.91 -4.98 117.98 118.83 3pva s PHE 317 Ca 0.24 -0.66 -0.16 0.00 -0.60 0.00 0.00 56.93 55.75 3pva s PHE 317 Cb -0.11 -1.11 -0.06 0.00 0.51 0.00 0.00 43.02 42.25 3pva s PHE 317 CO 0.16 -0.49 1.02 -2.00 0.70 0.00 0.00 175.22 174.61 3pva s GLU 318 N 1.78 3.65 0.22 0.44 2.56 -1.26 -0.34 118.70 125.75 3pva s GLU 318 Ca 0.04 1.03 -0.30 0.00 0.00 0.00 0.00 54.97 55.74 3pva s GLU 318 Cb -0.13 -2.09 -0.08 0.00 2.00 0.00 0.00 34.13 33.83 3pva s GLU 318 CO -0.07 -0.53 0.98 -1.58 -0.56 0.00 0.00 175.26 173.50 3pva s TRP 319 N -2.61 3.88 -0.59 5.30 0.52 -1.26 -4.89 118.94 119.28 3pva s TRP 319 Ca 0.60 1.85 -0.07 0.00 0.02 0.00 0.00 56.10 58.50 3pva s TRP 319 Cb -0.12 -3.05 0.15 0.00 -1.15 0.00 0.00 33.47 29.29 3pva s TRP 319 CO 0.36 0.21 0.45 0.34 0.02 0.00 0.00 176.95 178.32 3pva s ASP 320 N -0.84 5.70 0.00 2.95 2.15 -1.26 -4.94 116.67 120.43 3pva s ASP 320 Ca 0.43 -2.41 0.02 0.00 0.43 0.00 0.00 52.55 51.02 3pva s ASP 320 Cb -0.26 -1.98 0.10 0.00 -0.30 0.00 0.00 42.92 40.48 3pva s ASP 320 CO 0.33 -0.54 0.89 -1.14 -0.17 0.00 0.00 175.17 174.54 3pva n ARG 321 N 4.19 0.82 -3.67 4.34 3.00 -1.26 -4.75 116.66 119.33 3pva n ARG 321 Ca 0.02 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.54 3pva n ARG 321 Cb 0.41 -1.03 -0.05 0.00 0.00 0.00 0.00 32.46 31.79 3pva n ARG 321 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3pva s LYS 322 N -2.00 3.64 -0.32 -0.14 -0.14 -1.26 -4.64 119.74 114.88 3pva s LYS 322 Ca 0.03 -0.03 -0.29 0.00 -1.36 0.00 0.00 55.97 54.32 3pva s LYS 322 Cb 0.01 -2.94 -0.01 0.00 -1.68 0.00 0.00 37.83 33.21 3pva s LYS 322 CO 0.02 0.54 1.50 -1.14 -0.76 0.00 0.00 175.35 175.51 3pva s GLN 323 N -2.26 3.67 -1.43 1.68 2.00 -1.01 -4.46 119.66 117.86 3pva s GLN 323 Ca 0.36 1.28 -0.14 0.00 -2.00 0.00 0.00 55.36 54.86 3pva s GLN 323 Cb -0.13 -4.02 0.06 0.00 0.80 0.00 0.00 33.01 29.72 3pva s GLN 323 CO 0.21 -1.44 2.14 -3.47 -0.50 0.00 0.00 175.29 172.24 3pva n ASP 324 N 8.68 4.09 -4.72 6.67 -0.08 -1.26 -4.95 116.55 124.98 3pva n ASP 324 Ca 0.18 -2.87 -0.42 0.00 -1.51 0.00 0.00 54.79 50.17 3pva n ASP 324 Cb 0.47 -1.65 -0.03 0.00 2.34 0.00 0.00 41.12 42.24 3pva n ASP 324 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3pva s ILE 325 N 3.02 3.85 -0.21 5.18 -1.09 -1.26 -4.86 121.20 125.82 3pva s ILE 325 Ca 0.47 1.38 -0.17 0.00 -2.23 0.00 0.00 60.65 60.10 3pva s ILE 325 Cb 0.13 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 3pva s ILE 325 CO -0.06 0.14 0.46 -0.75 -1.23 0.00 0.00 174.94 173.49 3pva s LYS 326 N 0.70 4.17 -0.21 2.79 2.20 -1.26 -5.03 119.74 123.10 3pva s LYS 326 Ca 0.58 0.29 -0.23 0.00 -0.36 0.00 0.00 55.97 56.25 3pva s LYS 326 Cb -0.31 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.43 3pva s LYS 326 CO 0.31 -0.12 0.72 -0.65 -0.36 0.00 0.00 175.35 175.26 3pva s GLN 327 N 1.54 4.21 0.04 4.03 -0.21 -1.26 -4.92 119.66 123.10 3pva s GLN 327 Ca 0.21 0.78 0.04 0.00 0.02 0.00 0.00 55.36 56.41 3pva s GLN 327 Cb -0.15 -3.60 -0.24 0.00 1.00 0.00 0.00 33.01 30.01 3pva s GLN 327 CO 0.09 -0.35 1.00 -0.07 -2.12 0.00 0.00 175.29 173.84 3pva h LEU 328 N 8.58 0.16 0.00 2.90 4.07 -2.01 -3.47 115.31 125.54 3pva h LEU 328 Ca -0.28 -0.21 -0.24 0.00 0.08 0.00 0.00 57.88 57.22 3pva h LEU 328 Cb 1.13 -0.05 -0.06 0.00 1.08 0.00 0.00 40.66 42.75 3pva h LEU 328 CO 0.81 1.18 -0.23 -0.46 -1.08 0.00 0.00 178.44 178.66 3pva n ASN 329 N -3.33 -0.09 -4.56 -0.43 6.94 -1.26 -5.06 115.26 107.46 3pva n ASN 329 Ca -0.10 -2.09 -0.34 0.00 -0.02 0.00 0.00 54.58 52.04 3pva n ASN 329 Cb 1.00 0.77 -0.04 0.00 -2.36 0.00 0.00 39.78 39.16 3pva n ASN 329 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3pva s GLN 330 N -2.69 3.10 0.84 -3.83 2.00 -1.26 -4.97 119.66 112.84 3pva s GLN 330 Ca 0.18 -0.87 -0.11 0.00 -2.00 0.00 0.00 55.36 52.56 3pva s GLN 330 Cb 0.01 -5.24 0.09 0.00 0.80 0.00 0.00 33.01 28.67 3pva s GLN 330 CO 0.13 -2.86 1.09 0.08 -0.50 0.00 0.00 175.29 173.23 3pva s VAL 331 N 7.56 2.94 -0.42 1.34 1.01 -1.26 -4.96 120.40 126.61 3pva s VAL 331 Ca 0.59 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.92 3pva s VAL 331 Cb -0.02 -2.91 0.67 0.00 0.00 0.00 0.00 36.38 34.11 3pva s VAL 331 CO -0.02 -0.40 1.87 -3.20 0.00 0.00 0.00 175.10 173.35 3pva n ASN 332 N -3.63 3.78 -3.05 3.32 5.15 -1.26 -4.98 115.26 114.58 3pva n ASN 332 Ca 0.07 -3.58 -0.10 0.00 -0.60 0.00 0.00 54.58 50.38 3pva n ASN 332 Cb 0.55 -0.81 0.00 0.00 -0.53 0.00 0.00 39.78 38.99 3pva n ASN 332 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3pva n VAL 333 N -1.03 -1.11 -1.63 3.44 0.31 -1.26 -5.32 118.33 111.73 3pva n VAL 333 Ca 0.56 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.86 3pva n VAL 333 Cb 1.60 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 3pva n VAL 333 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31