#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 1.68 -0.13 0.00 0.01 -1.24 -4.02 113.70 110.00 3pva s SER 2 Ca 0.00 -0.62 -0.28 0.00 1.31 0.00 0.00 55.95 56.36 3pva s SER 2 Cb 0.00 -0.05 0.07 0.00 0.21 0.00 0.00 66.02 66.25 3pva s SER 2 CO 0.00 -0.08 0.68 -0.94 0.41 0.00 0.00 173.24 173.31 3pva s SER 3 N -1.77 -0.67 0.27 2.44 1.04 0.12 -0.37 113.70 114.76 3pva s SER 3 Ca -0.02 0.97 -0.17 0.00 0.48 0.00 0.00 55.95 57.22 3pva s SER 3 Cb -0.10 0.88 0.01 0.00 0.10 0.00 0.00 66.02 66.91 3pva s SER 3 CO 0.02 -0.46 0.61 -1.48 0.98 0.00 0.00 173.24 172.91 3pva s LEU 4 N -0.58 0.04 0.04 2.42 2.34 0.03 -0.04 118.68 122.93 3pva s LEU 4 Ca -0.07 -0.80 0.02 0.00 0.06 0.00 0.00 54.13 53.34 3pva s LEU 4 Cb -0.02 2.28 -0.03 0.00 -0.56 0.00 0.00 46.19 47.86 3pva s LEU 4 CO 0.06 -1.27 -0.06 -0.94 -1.06 0.00 0.00 176.35 173.08 3pva s SER 5 N -2.98 0.74 0.24 1.48 1.04 -0.41 -0.42 113.70 113.39 3pva s SER 5 Ca 0.17 -0.61 0.03 0.00 0.48 0.00 0.00 55.95 56.02 3pva s SER 5 Cb -0.03 0.06 -0.05 0.00 0.10 0.00 0.00 66.02 66.10 3pva s SER 5 CO 0.08 -0.27 0.02 0.27 0.98 0.00 0.00 173.24 174.32 3pva s ILE 6 N -1.76 0.93 -0.11 -1.02 -0.00 0.13 -4.90 121.20 114.47 3pva s ILE 6 Ca -0.08 -2.02 0.01 0.00 -0.00 0.00 0.00 60.65 58.57 3pva s ILE 6 Cb -0.07 -2.42 -0.01 0.00 -0.00 0.00 0.00 42.46 39.95 3pva s ILE 6 CO -0.01 -0.25 -0.16 -0.60 -0.00 0.00 0.00 174.94 173.92 3pva s ARG 7 N -3.90 3.19 0.84 0.37 6.06 -1.26 -1.52 118.95 122.73 3pva s ARG 7 Ca 0.30 -0.74 -0.06 0.00 -2.50 0.00 0.00 55.73 52.73 3pva s ARG 7 Cb 0.06 -2.51 0.18 0.00 0.06 0.00 0.00 34.95 32.74 3pva s ARG 7 CO 0.10 0.25 1.15 0.95 -2.50 0.00 0.00 175.30 175.25 3pva s THR 8 N 0.22 2.00 -0.98 4.11 -4.23 0.67 -4.47 115.64 112.96 3pva s THR 8 Ca -0.10 -0.40 0.26 0.00 -1.18 0.00 0.00 61.69 60.27 3pva s THR 8 Cb -0.16 -2.60 0.08 0.00 1.34 0.00 0.00 72.50 71.16 3pva s THR 8 CO 0.06 0.00 1.57 0.35 -0.54 0.00 0.00 174.62 176.06 3pva n THR 9 N -3.25 0.02 1.01 3.99 -2.24 0.62 -3.33 114.28 111.10 3pva n THR 9 Ca 0.17 -0.02 0.12 0.00 -2.27 0.00 0.00 64.05 62.05 3pva n THR 9 Cb 0.60 -0.00 0.58 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.54 0.00 -1.48 3.42 2.03 -1.23 -4.89 116.55 112.86 3pva n ASP 10 Ca 0.06 0.22 -0.08 0.00 0.52 0.00 0.00 54.79 55.51 3pva n ASP 10 Cb 0.34 -0.39 0.02 0.00 -0.72 0.00 0.00 41.12 40.37 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 -1.39 -3.42 -4.58 1.67 8.00 -1.21 -5.03 116.55 110.57 3pva n ASP 11 Ca 0.09 -0.17 -0.32 0.00 0.71 0.00 0.00 54.79 55.10 3pva n ASP 11 Cb 0.24 -2.06 -0.11 0.00 -0.02 0.00 0.00 41.12 39.18 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 -5.33 2.53 -0.11 -1.24 1.02 -1.26 -4.93 119.74 110.41 3pva s LYS 12 Ca 0.18 -0.73 -0.01 0.00 0.02 0.00 0.00 55.97 55.43 3pva s LYS 12 Cb -0.08 -2.48 -0.02 0.00 -0.52 0.00 0.00 37.83 34.72 3pva s LYS 12 CO 0.22 0.60 -0.08 -1.12 -0.92 0.00 0.00 175.35 174.06 3pva s SER 13 N -1.37 4.51 0.06 2.83 0.01 -1.26 -0.24 113.70 118.24 3pva s SER 13 Ca 0.16 -0.15 0.05 0.00 1.31 0.00 0.00 55.95 57.32 3pva s SER 13 Cb -0.11 -1.48 -0.03 0.00 0.21 0.00 0.00 66.02 64.61 3pva s SER 13 CO 0.07 0.24 -0.13 -0.76 0.41 0.00 0.00 173.24 173.07 3pva s LEU 14 N -0.09 2.23 0.02 2.44 1.02 -0.57 -0.93 118.68 122.80 3pva s LEU 14 Ca 0.00 -0.54 0.04 0.00 0.02 0.00 0.00 54.13 53.65 3pva s LEU 14 Cb -0.13 -0.51 -0.02 0.00 0.02 0.00 0.00 46.19 45.55 3pva s LEU 14 CO 0.03 -0.05 -0.12 0.12 0.02 0.00 0.00 176.35 176.35 3pva s PHE 15 N -1.10 1.06 0.02 0.29 5.36 -0.43 -0.69 117.98 122.48 3pva s PHE 15 Ca -0.01 -0.29 -0.06 0.00 -0.96 0.00 0.00 56.93 55.60 3pva s PHE 15 Cb -0.09 -0.65 -0.00 0.00 -0.34 0.00 0.00 43.02 41.94 3pva s PHE 15 CO 0.02 0.00 0.12 0.00 -1.46 0.00 0.00 175.22 173.90 3pva s ALA 16 N -0.65 -0.21 0.08 11.12 0.00 0.43 -0.78 121.76 131.75 3pva s ALA 16 Ca 0.02 -0.32 -0.15 0.00 0.00 0.00 0.00 51.96 51.50 3pva s ALA 16 Cb -0.06 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.26 3pva s ALA 16 CO 0.00 -0.25 0.37 -0.98 0.00 0.00 0.00 175.76 174.90 3pva s ARG 17 N -1.90 0.96 0.14 0.00 1.04 -0.41 -0.79 118.95 117.99 3pva s ARG 17 Ca -0.11 -0.61 0.06 0.00 -1.04 0.00 0.00 55.73 54.04 3pva s ARG 17 Cb -0.05 0.42 -0.04 0.00 -2.04 0.00 0.00 34.95 33.24 3pva s ARG 17 CO -0.01 -0.35 0.01 0.95 -0.04 0.00 0.00 175.30 175.86 3pva s THR 18 N -3.24 3.86 -0.32 4.99 -4.23 0.51 -1.25 115.64 115.97 3pva s THR 18 Ca -0.00 -1.24 0.02 0.00 -1.18 0.00 0.00 61.69 59.28 3pva s THR 18 Cb 0.01 -2.90 0.08 0.00 1.34 0.00 0.00 72.50 71.03 3pva s THR 18 CO -0.08 -0.02 0.01 -0.32 -0.54 0.00 0.00 174.62 173.67 3pva s MET 19 N -2.70 2.00 -0.37 3.99 1.75 -0.72 -3.60 119.30 119.65 3pva s MET 19 Ca 0.27 -1.57 -0.07 0.00 -1.25 0.00 0.00 55.69 53.06 3pva s MET 19 Cb -0.10 -3.15 0.05 0.00 2.84 0.00 0.00 34.83 34.46 3pva s MET 19 CO 0.19 -0.77 0.16 -0.51 -0.65 0.00 0.00 175.02 173.43 3pva s ASP 20 N 1.17 5.45 0.18 1.11 1.01 -1.26 -0.86 116.67 123.46 3pva s ASP 20 Ca 0.01 -1.26 -0.02 0.00 0.71 0.00 0.00 52.55 51.99 3pva s ASP 20 Cb -0.20 -1.92 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 3pva s ASP 20 CO -0.05 -0.40 0.13 0.12 0.21 0.00 0.00 175.17 175.18 3pva s PHE 21 N 1.41 0.98 -1.15 4.23 5.36 -1.01 -4.42 117.98 123.39 3pva s PHE 21 Ca 0.00 -1.27 0.25 0.00 -0.96 0.00 0.00 56.93 54.96 3pva s PHE 21 Cb -0.20 -0.47 0.58 0.00 -0.34 0.00 0.00 43.02 42.58 3pva s PHE 21 CO 0.03 -0.62 1.46 0.25 -1.46 0.00 0.00 175.22 174.88 3pva n THR 22 N -0.21 0.00 -3.74 0.12 -2.24 -1.26 -2.42 114.28 104.53 3pva n THR 22 Ca -0.01 -0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.62 3pva n THR 22 Cb 0.65 0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 69.06 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 -2.90 0.81 -0.58 -0.78 -2.45 -1.26 -4.75 119.30 107.39 3pva s MET 23 Ca 0.14 -0.45 -0.04 0.00 -1.25 0.00 0.00 55.69 54.09 3pva s MET 23 Cb 0.18 0.35 0.15 0.00 1.25 0.00 0.00 34.83 36.76 3pva s MET 23 CO 0.66 -0.26 0.40 -1.21 1.05 0.00 0.00 175.02 175.66 3pva s GLU 24 N -2.41 2.49 0.60 4.11 2.02 -1.26 -5.08 118.70 119.16 3pva s GLU 24 Ca -0.06 -2.33 -0.19 0.00 0.02 0.00 0.00 54.97 52.42 3pva s GLU 24 Cb -0.01 -3.75 -0.03 0.00 0.10 0.00 0.00 34.13 30.44 3pva s GLU 24 CO -0.02 -1.16 1.21 -1.25 0.02 0.00 0.00 175.26 174.05 3pva s PRO 25 N 0.29 2.94 0.07 0.39 0.04 -1.26 -4.84 135.00 132.63 3pva s PRO 25 Ca 0.14 1.82 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 3pva s PRO 25 Cb -0.21 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 3pva s PRO 25 CO -0.04 -1.23 1.90 -0.51 0.04 0.00 0.00 177.00 177.17 3pva s ASP 26 N -1.63 6.45 0.09 6.66 1.01 -1.26 -4.93 116.67 123.07 3pva s ASP 26 Ca 0.77 2.69 0.04 0.00 0.71 0.00 0.00 52.55 56.76 3pva s ASP 26 Cb -0.30 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.05 3pva s ASP 26 CO 0.34 -1.03 -0.12 -0.44 0.21 0.00 0.00 175.17 174.13 3pva s SER 27 N 3.75 1.55 0.29 0.27 0.01 -1.26 -4.50 113.70 113.80 3pva s SER 27 Ca 0.85 -0.74 -0.20 0.00 1.31 0.00 0.00 55.95 57.17 3pva s SER 27 Cb -0.43 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 65.80 3pva s SER 27 CO 0.39 -0.19 0.71 -1.59 0.41 0.00 0.00 173.24 172.96 3pva s LYS 28 N -2.42 1.81 -0.09 12.44 0.00 -1.06 -4.62 119.74 125.81 3pva s LYS 28 Ca 0.03 -1.05 -0.22 0.00 0.00 0.00 0.00 55.97 54.73 3pva s LYS 28 Cb -0.06 0.60 -0.04 0.00 0.00 0.00 0.00 37.83 38.34 3pva s LYS 28 CO 0.01 -0.83 0.62 0.54 0.00 0.00 0.00 175.35 175.70 3pva s VAL 29 N -3.79 5.10 -0.09 1.79 0.11 0.11 -2.24 120.40 121.39 3pva s VAL 29 Ca 0.12 1.27 0.01 0.00 -2.93 0.00 0.00 61.98 60.46 3pva s VAL 29 Cb -0.06 -3.96 -0.02 0.00 -1.53 0.00 0.00 36.38 30.81 3pva s VAL 29 CO 0.08 0.27 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.36 3pva s ILE 30 N 0.78 3.12 -0.19 7.04 1.01 0.22 -0.34 121.20 132.84 3pva s ILE 30 Ca 0.33 -0.67 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 3pva s ILE 30 Cb -0.17 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 3pva s ILE 30 CO 0.15 0.56 0.07 -0.63 0.00 0.00 0.00 174.94 175.09 3pva s ILE 31 N -0.20 4.90 -0.28 2.92 1.01 0.13 -1.85 121.20 127.84 3pva s ILE 31 Ca 0.01 0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 3pva s ILE 31 Cb -0.13 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 39.14 3pva s ILE 31 CO 0.03 0.46 0.03 -0.69 0.00 0.00 0.00 174.94 174.77 3pva s VAL 32 N 0.36 3.63 0.59 2.92 1.01 0.10 -2.58 120.40 126.43 3pva s VAL 32 Ca 0.04 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 3pva s VAL 32 Cb -0.12 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 3pva s VAL 32 CO -0.00 0.13 1.02 -2.16 0.00 0.00 0.00 175.10 174.08 3pva s PRO 33 N 1.45 3.63 0.55 2.72 0.04 -1.26 -0.48 135.00 141.65 3pva s PRO 33 Ca 0.02 0.89 -0.20 0.00 0.04 0.00 0.00 61.00 61.75 3pva s PRO 33 Cb -0.17 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 3pva s PRO 33 CO 0.00 -0.54 0.88 0.54 0.04 0.00 0.00 177.00 177.93 3pva n ARG 34 N -2.30 0.94 -2.98 4.56 1.74 0.17 -2.70 116.66 116.08 3pva n ARG 34 Ca 0.07 0.35 -0.21 0.00 -0.77 0.00 0.00 57.85 57.29 3pva n ARG 34 Cb 0.54 -2.04 0.01 0.00 -1.02 0.00 0.00 32.46 29.96 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 -0.16 -5.05 0.13 0.55 5.03 0.12 -4.78 115.26 111.10 3pva n ASN 35 Ca 0.12 -0.22 -0.24 0.00 0.87 0.00 0.00 54.58 55.11 3pva n ASN 35 Cb 0.45 -4.14 -0.16 0.00 -1.02 0.00 0.00 39.78 34.91 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 -0.93 0.91 -0.05 3.10 3.20 -1.72 -3.45 116.97 118.03 3pva h TYR 36 Ca -0.46 -0.66 0.00 0.00 3.14 0.00 0.00 58.73 60.74 3pva h TYR 36 Cb 1.32 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.56 3pva h TYR 36 CO 0.60 1.54 0.00 0.41 -1.64 0.00 0.00 178.16 179.07 3pva n GLY 37 N 1.72 -0.32 3.05 1.82 0.00 -1.26 -4.93 105.19 105.27 3pva n GLY 37 Ca -0.17 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.35 1.17 0.86 -0.61 -1.09 0.49 -4.90 121.20 116.77 3pva s ILE 38 Ca 0.00 -0.53 -0.11 0.00 -2.23 0.00 0.00 60.65 57.78 3pva s ILE 38 Cb 0.00 -1.04 0.11 0.00 -1.58 0.00 0.00 42.46 39.95 3pva s ILE 38 CO 0.00 0.35 1.16 -0.13 -1.23 0.00 0.00 174.94 175.09 3pva s ARG 39 N 0.42 1.40 -0.15 2.79 1.81 -1.26 -1.18 118.95 122.79 3pva s ARG 39 Ca -0.10 1.57 0.04 0.00 -1.72 0.00 0.00 55.73 55.51 3pva s ARG 39 Cb -0.14 -1.77 -0.11 0.00 -0.45 0.00 0.00 34.95 32.48 3pva s ARG 39 CO 0.03 -2.35 -0.09 -0.11 -0.68 0.00 0.00 175.30 172.09 3pva n LEU 40 N -3.81 2.26 -4.20 2.53 7.94 -1.21 -4.81 117.00 115.70 3pva n LEU 40 Ca 0.12 -0.06 -0.20 0.00 -1.11 0.00 0.00 56.01 54.75 3pva n LEU 40 Cb 0.52 -0.33 -0.12 0.00 0.53 0.00 0.00 43.42 44.01 3pva n LEU 40 CO 0.49 0.65 -0.48 -0.76 -1.11 0.00 0.00 177.39 176.18 3pva s LEU 41 N -5.65 2.26 0.32 -1.96 1.02 -1.26 -0.85 118.68 112.57 3pva s LEU 41 Ca -0.17 -0.61 0.22 0.00 0.02 0.00 0.00 54.13 53.59 3pva s LEU 41 Cb 0.05 -0.64 0.17 0.00 0.02 0.00 0.00 46.19 45.79 3pva s LEU 41 CO 0.39 -0.02 1.35 -0.08 0.02 0.00 0.00 176.35 178.01 3pva h GLU 42 N 4.36 0.00 -0.65 1.70 4.57 -1.94 -3.28 114.58 119.34 3pva h GLU 42 Ca -0.42 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 3pva h GLU 42 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 3pva h GLU 42 CO 0.41 0.04 0.00 1.63 -1.18 0.00 0.00 179.01 179.91 3pva n LYS 43 N -2.94 3.07 -4.15 1.92 5.02 -1.26 -4.90 118.16 114.92 3pva n LYS 43 Ca 0.02 -2.66 -0.15 0.00 -2.02 0.00 0.00 58.31 53.49 3pva n LYS 43 Cb 0.56 -1.64 -0.13 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.30 0.59 -0.05 1.97 2.02 -1.24 -5.06 118.70 115.63 3pva s GLU 44 Ca 0.46 -0.62 0.19 0.00 0.02 0.00 0.00 54.97 55.02 3pva s GLU 44 Cb 0.26 -0.47 0.65 0.00 0.10 0.00 0.00 34.13 34.67 3pva s GLU 44 CO 0.28 0.11 1.54 0.27 0.02 0.00 0.00 175.26 177.48 3pva n ASN 45 N 1.91 4.09 -4.71 -0.19 0.23 -1.26 -4.52 115.26 110.80 3pva n ASN 45 Ca -0.19 -2.20 -0.42 0.00 -0.53 0.00 0.00 54.58 51.24 3pva n ASN 45 Cb 0.55 -0.51 -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 -1.43 2.83 -0.17 3.53 1.01 -1.26 -4.99 120.40 119.91 3pva s VAL 46 Ca 0.47 0.55 0.00 0.00 0.00 0.00 0.00 61.98 63.01 3pva s VAL 46 Cb 0.27 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 33.31 3pva s VAL 46 CO 0.28 0.04 -0.16 -0.69 0.00 0.00 0.00 175.10 174.56 3pva s VAL 47 N 1.38 2.46 -0.07 2.92 1.01 -1.26 -3.30 120.40 123.53 3pva s VAL 47 Ca 0.69 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 3pva s VAL 47 Cb -0.42 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 3pva s VAL 47 CO 0.31 0.52 0.52 -0.63 0.00 0.00 0.00 175.10 175.82 3pva s ILE 48 N 1.05 5.09 -0.09 2.22 -1.09 -0.33 -4.83 121.20 123.23 3pva s ILE 48 Ca -0.01 1.07 -0.29 0.00 -2.23 0.00 0.00 60.65 59.19 3pva s ILE 48 Cb -0.14 -3.86 -0.02 0.00 -1.58 0.00 0.00 42.46 36.86 3pva s ILE 48 CO -0.05 0.36 0.96 0.21 -1.23 0.00 0.00 174.94 175.20 3pva s ASN 49 N 0.29 7.22 -0.15 3.58 3.84 -1.26 -0.38 114.94 128.08 3pva s ASN 49 Ca 0.28 1.49 -0.24 0.00 0.21 0.00 0.00 52.86 54.60 3pva s ASN 49 Cb -0.16 -2.54 -0.02 0.00 -0.55 0.00 0.00 41.25 37.98 3pva s ASN 49 CO 0.13 -0.38 0.78 0.54 -2.79 0.00 0.00 177.10 175.38 3pva s ASN 50 N 1.07 6.94 0.23 -4.21 4.22 -1.26 -4.91 114.94 117.02 3pva s ASN 50 Ca 0.47 1.15 -0.05 0.00 -2.14 0.00 0.00 52.86 52.29 3pva s ASN 50 Cb -0.19 -2.44 0.23 0.00 1.28 0.00 0.00 41.25 40.14 3pva s ASN 50 CO 0.19 -0.32 1.74 0.28 -2.04 0.00 0.00 177.10 176.95 3pva h SER 51 N 7.22 0.93 -3.56 3.54 0.02 -1.74 0.35 113.55 120.31 3pva h SER 51 Ca -0.32 -0.21 -0.67 0.00 -0.84 0.00 0.00 61.79 59.75 3pva h SER 51 Cb 1.15 -0.25 -0.16 0.00 0.14 0.00 0.00 62.40 63.29 3pva h SER 51 CO 0.81 0.93 -0.73 -0.31 -1.14 0.00 0.00 176.83 176.39 3pva s TYR 52 N -5.17 2.78 0.48 3.45 2.02 0.10 -4.60 117.35 116.41 3pva s TYR 52 Ca -0.11 -0.13 -0.18 0.00 -0.37 0.00 0.00 57.07 56.28 3pva s TYR 52 Cb 0.15 -1.47 -0.09 0.00 -0.40 0.00 0.00 41.96 40.15 3pva s TYR 52 CO 0.83 0.42 0.96 0.00 -1.57 0.00 0.00 175.55 176.19 3pva s ALA 53 N -1.18 3.07 0.09 3.71 0.00 -1.26 -4.40 121.76 121.78 3pva s ALA 53 Ca 0.21 0.24 -0.24 0.00 0.00 0.00 0.00 51.96 52.18 3pva s ALA 53 Cb -0.11 -3.11 0.06 0.00 0.00 0.00 0.00 23.12 19.96 3pva s ALA 53 CO 0.13 -0.09 0.57 -0.59 0.00 0.00 0.00 175.76 175.78 3pva s PHE 54 N -2.45 -0.49 0.04 0.00 -0.71 0.37 -1.71 117.98 113.03 3pva s PHE 54 Ca 0.60 0.47 0.05 0.00 -1.04 0.00 0.00 56.93 57.01 3pva s PHE 54 Cb -0.10 0.44 -0.02 0.00 -1.21 0.00 0.00 43.02 42.13 3pva s PHE 54 CO 0.25 -0.73 -0.15 0.54 -1.34 0.00 0.00 175.22 173.79 3pva s VAL 55 N -2.92 1.15 -0.82 -2.49 0.11 0.12 0.02 120.40 115.58 3pva s VAL 55 Ca -0.03 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 57.98 3pva s VAL 55 Cb -0.00 -1.04 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 3pva s VAL 55 CO -0.05 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.32 3pva n GLY 56 N 1.84 -1.13 3.81 6.54 0.00 -0.77 -1.01 105.19 114.47 3pva n GLY 56 Ca -0.18 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.33 3.96 0.00 1.61 -2.45 -1.17 -0.61 119.30 120.31 3pva s MET 57 Ca 0.00 0.24 0.00 0.00 -1.25 0.00 0.00 55.69 54.68 3pva s MET 57 Cb 0.00 -3.29 0.00 0.00 1.25 0.00 0.00 34.83 32.79 3pva s MET 57 CO 0.00 0.54 0.00 0.41 1.05 0.00 0.00 175.02 177.02 3pva n GLY 58 N 2.38 1.59 3.38 2.11 0.00 -0.95 0.17 105.19 113.88 3pva n GLY 58 Ca -0.14 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.75 3.24 -0.10 1.61 0.15 0.16 -2.55 113.70 115.46 3pva s SER 59 Ca 0.00 -0.74 0.13 0.00 0.70 0.00 0.00 55.95 56.05 3pva s SER 59 Cb 0.00 -0.22 0.31 0.00 -1.71 0.00 0.00 66.02 64.40 3pva s SER 59 CO 0.00 0.17 1.22 0.35 1.20 0.00 0.00 173.24 176.18 3pva n THR 60 N 0.98 1.69 0.64 6.45 -2.24 -1.26 -0.39 114.28 120.14 3pva n THR 60 Ca -0.18 -1.70 0.13 0.00 -2.27 0.00 0.00 64.05 60.02 3pva n THR 60 Cb 0.53 0.02 0.46 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.67 0.58 -2.69 3.42 8.00 -1.26 -4.84 116.55 119.09 3pva n ASP 61 Ca 0.14 0.58 -0.08 0.00 0.71 0.00 0.00 54.79 56.14 3pva n ASP 61 Cb 0.60 -0.72 -0.01 0.00 -0.02 0.00 0.00 41.12 40.97 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 -2.07 0.00 0.16 0.53 -5.35 -1.26 -5.01 119.36 106.36 3pva n ILE 62 Ca 0.05 -0.59 -0.17 0.00 -0.27 0.00 0.00 62.75 61.77 3pva n ILE 62 Cb 0.35 -0.06 -0.10 0.00 -1.74 0.00 0.00 39.64 38.10 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 0.88 0.00 -2.41 7.28 2.02 -1.96 -3.43 112.91 115.29 3pva h THR 63 Ca -0.10 0.00 -0.51 0.00 0.77 0.00 0.00 66.41 66.57 3pva h THR 63 Cb 0.32 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 3pva h THR 63 CO 0.16 0.00 -0.48 -0.44 0.37 0.00 0.00 175.52 175.13 3pva s SER 64 N -4.59 6.09 0.22 4.18 0.01 -1.26 -5.00 113.70 113.35 3pva s SER 64 Ca -0.17 0.03 -0.31 0.00 1.31 0.00 0.00 55.95 56.81 3pva s SER 64 Cb 0.06 -1.75 -0.11 0.00 0.21 0.00 0.00 66.02 64.42 3pva s SER 64 CO 0.61 0.00 1.66 -2.84 0.41 0.00 0.00 173.24 173.08 3pva s PRO 65 N -3.54 4.14 -0.32 12.44 0.02 -1.26 -4.86 135.00 141.62 3pva s PRO 65 Ca 0.34 2.55 -0.13 0.00 0.02 0.00 0.00 61.00 63.78 3pva s PRO 65 Cb -0.10 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 31.32 3pva s PRO 65 CO 0.27 -0.69 0.29 0.08 -0.33 0.00 0.00 177.00 176.62 3pva s VAL 66 N 0.86 5.24 -0.12 3.83 1.01 0.48 -4.81 120.40 126.87 3pva s VAL 66 Ca 0.71 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.72 3pva s VAL 66 Cb -0.48 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3pva s VAL 66 CO 0.36 0.05 0.04 -0.76 0.00 0.00 0.00 175.10 174.79 3pva s LEU 67 N 1.88 3.77 0.01 3.92 1.02 -1.26 0.35 118.68 128.37 3pva s LEU 67 Ca 0.09 0.17 -0.02 0.00 0.02 0.00 0.00 54.13 54.39 3pva s LEU 67 Cb -0.17 -1.90 -0.27 0.00 0.02 0.00 0.00 46.19 43.87 3pva s LEU 67 CO 0.11 0.31 0.89 1.88 0.02 0.00 0.00 176.35 179.56 3pva h TYR 68 N 5.68 0.41 -2.71 0.29 0.05 -0.64 -3.42 116.97 116.63 3pva h TYR 68 Ca -0.46 -0.30 0.10 0.00 0.05 0.00 0.00 58.73 58.12 3pva h TYR 68 Cb 1.19 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.87 3pva h TYR 68 CO 0.63 1.34 0.38 0.16 -1.05 0.00 0.00 178.16 179.62 3pva s ASP 69 N -6.94 -0.12 0.00 3.88 1.47 -1.23 -0.17 116.67 113.55 3pva s ASP 69 Ca -0.08 -0.69 0.00 0.00 1.18 0.00 0.00 52.55 52.97 3pva s ASP 69 Cb 0.07 0.64 0.00 0.00 -0.34 0.00 0.00 42.92 43.29 3pva s ASP 69 CO 0.85 -1.23 0.00 0.61 0.68 0.00 0.00 175.17 176.08 3pva n GLY 70 N -0.52 2.04 3.39 2.12 0.00 -0.85 -3.05 105.19 108.31 3pva n GLY 70 Ca -0.05 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.99 2.11 0.62 1.61 1.01 -0.18 -2.32 120.40 121.27 3pva s VAL 71 Ca 0.00 -2.08 0.02 0.00 0.00 0.00 0.00 61.98 59.92 3pva s VAL 71 Cb 0.00 -2.04 0.08 0.00 0.00 0.00 0.00 36.38 34.42 3pva s VAL 71 CO 0.00 -0.30 0.86 0.20 0.00 0.00 0.00 175.10 175.86 3pva s ASN 72 N -2.90 4.85 0.09 3.32 0.02 -0.61 -0.70 114.94 119.01 3pva s ASN 72 Ca 0.21 -0.31 0.26 0.00 -1.02 0.00 0.00 52.86 52.00 3pva s ASN 72 Cb -0.06 -0.31 0.79 0.00 0.02 0.00 0.00 41.25 41.69 3pva s ASN 72 CO 0.09 -1.47 1.66 -1.84 0.02 0.00 0.00 177.10 175.56 3pva n GLU 73 N -2.52 0.14 0.01 -0.60 0.28 -0.69 -2.95 120.64 114.30 3pva n GLU 73 Ca 0.12 0.08 0.11 0.00 -0.16 0.00 0.00 57.16 57.32 3pva n GLU 73 Cb 0.60 -1.63 0.08 0.00 1.43 0.00 0.00 31.44 31.93 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 -1.85 0.07 0.00 3.44 4.01 -1.26 -4.99 118.16 117.58 3pva n LYS 74 Ca 0.06 -0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 3pva n LYS 74 Cb 0.39 -1.52 0.00 0.00 -0.51 0.00 0.00 35.03 33.38 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 1.47 0.41 3.73 0.72 0.00 -1.15 -4.73 105.19 105.63 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 4.49 0.17 0.99 2.96 -1.26 -3.26 118.68 122.76 3pva s LEU 76 Ca 0.00 1.96 0.11 0.00 -0.22 0.00 0.00 54.13 55.98 3pva s LEU 76 Cb 0.00 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 3pva s LEU 76 CO 0.00 -0.17 -0.24 -0.04 -1.32 0.00 0.00 176.35 174.58 3pva s MET 77 N -0.12 1.45 0.04 1.98 -1.94 0.13 -1.58 119.30 119.27 3pva s MET 77 Ca 0.49 -1.46 -0.27 0.00 -1.71 0.00 0.00 55.69 52.74 3pva s MET 77 Cb -0.27 -1.79 0.10 0.00 2.01 0.00 0.00 34.83 34.88 3pva s MET 77 CO 0.32 0.39 1.20 0.20 -0.01 0.00 0.00 175.02 177.13 3pva s GLY 78 N -2.50 -0.18 -0.06 -0.03 0.00 -0.98 0.25 107.32 103.82 3pva s GLY 78 Ca 0.18 0.18 -0.29 0.00 0.00 0.00 0.00 44.72 44.79 3pva s GLY 78 CO 0.08 2.56 0.85 0.00 0.00 0.00 0.00 173.10 176.60 3pva s ALA 79 N -2.31 -1.83 -0.16 3.20 0.00 -0.67 -2.01 121.76 117.98 3pva s ALA 79 Ca 0.21 1.26 -0.14 0.00 0.00 0.00 0.00 51.96 53.29 3pva s ALA 79 Cb 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.00 3pva s ALA 79 CO -0.00 -0.47 0.32 -1.64 0.00 0.00 0.00 175.76 173.97 3pva s MET 80 N -1.93 4.26 0.17 0.00 -1.94 0.76 -2.50 119.30 118.12 3pva s MET 80 Ca -0.02 0.13 0.07 0.00 -1.71 0.00 0.00 55.69 54.16 3pva s MET 80 Cb -0.01 -3.44 -0.04 0.00 2.01 0.00 0.00 34.83 33.35 3pva s MET 80 CO -0.01 0.20 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.56 3pva s LEU 81 N 0.58 2.52 0.63 -0.03 1.02 -0.43 -4.91 118.68 118.06 3pva s LEU 81 Ca 0.17 -0.98 -0.17 0.00 0.02 0.00 0.00 54.13 53.17 3pva s LEU 81 Cb -0.13 -0.57 -0.02 0.00 0.02 0.00 0.00 46.19 45.50 3pva s LEU 81 CO 0.05 -0.21 1.17 -0.47 0.02 0.00 0.00 176.35 176.91 3pva s TYR 82 N -2.92 2.43 -0.39 0.29 5.04 -1.26 -0.66 117.35 119.87 3pva s TYR 82 Ca 0.19 1.55 0.11 0.00 -2.44 0.00 0.00 57.07 56.47 3pva s TYR 82 Cb -0.01 -3.37 0.36 0.00 0.35 0.00 0.00 41.96 39.30 3pva s TYR 82 CO 0.04 -2.05 0.95 0.98 -1.34 0.00 0.00 175.55 174.13 3pva n TYR 83 N -1.97 -0.86 -1.70 4.97 9.36 0.63 -4.25 117.16 123.34 3pva n TYR 83 Ca 0.12 -2.96 -0.41 0.00 3.32 0.00 0.00 57.90 57.97 3pva n TYR 83 Cb 0.51 0.41 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 0.16 1.29 -0.19 2.98 0.00 -1.26 -1.76 120.51 121.73 3pva n ALA 84 Ca 0.14 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3pva n ALA 84 Cb 0.72 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 -0.18 0.00 0.00 0.00 -1.04 -1.26 -4.61 114.28 107.19 3pva n THR 85 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3pva n THR 85 Cb 0.39 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 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 -1.77 -1.42 3.72 -1.03 -5.04 117.46 109.92 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 -1.87 3.84 -0.09 4.37 0.00 -0.72 -4.09 121.76 123.19 3pva s ALA 87 Ca 0.00 1.48 0.01 0.00 0.00 0.00 0.00 51.96 53.44 3pva s ALA 87 Cb 0.00 -3.71 0.02 0.00 0.00 0.00 0.00 23.12 19.43 3pva s ALA 87 CO 0.00 -1.02 -0.10 0.99 0.00 0.00 0.00 175.76 175.63 3pva s THR 88 N 1.82 1.08 0.07 0.00 2.01 0.12 -4.92 115.64 115.82 3pva s THR 88 Ca 0.76 -0.37 0.06 0.00 0.31 0.00 0.00 61.69 62.45 3pva s THR 88 Cb -0.47 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 3pva s THR 88 CO 0.33 0.36 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.20 3pva s TYR 89 N 1.25 2.71 0.84 4.92 2.02 -1.26 -4.58 117.35 123.25 3pva s TYR 89 Ca -0.03 -0.17 -0.13 0.00 -0.37 0.00 0.00 57.07 56.37 3pva s TYR 89 Cb -0.14 -1.47 0.10 0.00 -0.40 0.00 0.00 41.96 40.06 3pva s TYR 89 CO -0.03 0.37 1.19 0.00 -1.57 0.00 0.00 175.55 175.51 3pva s ALA 90 N -1.09 2.47 -0.13 3.71 0.00 -0.93 -4.52 121.76 121.26 3pva s ALA 90 Ca 0.19 -0.69 -0.09 0.00 0.00 0.00 0.00 51.96 51.36 3pva s ALA 90 Cb -0.11 -2.95 -0.25 0.00 0.00 0.00 0.00 23.12 19.81 3pva s ALA 90 CO 0.10 -1.86 0.35 -0.25 0.00 0.00 0.00 175.76 174.10 3pva n ASP 91 N -3.44 2.10 -4.21 0.00 8.00 -1.26 -1.17 116.55 116.56 3pva n ASP 91 Ca 0.09 0.24 -0.21 0.00 0.71 0.00 0.00 54.79 55.61 3pva n ASP 91 Cb 0.61 -0.88 -0.13 0.00 -0.02 0.00 0.00 41.12 40.70 3pva n ASP 91 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3pva s GLU 92 N -2.53 1.00 0.63 -1.24 0.41 -1.26 -4.75 118.70 110.95 3pva s GLU 92 Ca -0.23 -0.99 -0.18 0.00 -0.41 0.00 0.00 54.97 53.16 3pva s GLU 92 Cb 0.06 -1.11 -0.03 0.00 -1.78 0.00 0.00 34.13 31.28 3pva s GLU 92 CO 0.75 0.26 1.11 -2.30 -0.49 0.00 0.00 175.26 174.58 3pva n PRO 93 N 1.37 0.98 -1.69 0.39 -0.02 -1.26 -4.95 135.00 129.83 3pva n PRO 93 Ca -0.20 0.39 -0.33 0.00 -2.02 0.00 0.00 63.50 61.34 3pva n PRO 93 Cb 0.54 -2.33 0.05 0.00 -0.02 0.00 0.00 33.50 31.74 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 -3.04 2.72 -0.25 -0.52 -0.14 -1.26 -4.87 119.74 112.38 3pva s LYS 94 Ca 0.79 1.37 -0.39 0.00 -1.36 0.00 0.00 55.97 56.38 3pva s LYS 94 Cb -0.40 -1.94 -0.15 0.00 -1.68 0.00 0.00 37.83 33.66 3pva s LYS 94 CO 0.44 -1.31 1.77 0.36 -0.76 0.00 0.00 175.35 175.84 3pva n LYS 95 N -2.57 1.29 0.00 1.68 0.00 -1.26 -2.23 118.16 115.07 3pva n LYS 95 Ca 0.10 0.47 0.00 0.00 -0.00 0.00 0.00 58.31 58.89 3pva n LYS 95 Cb 0.52 -2.18 0.00 0.00 -0.00 0.00 0.00 35.03 33.37 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 4.23 2.99 3.72 2.58 0.00 -1.26 -5.05 105.19 112.40 3pva n GLY 96 Ca 0.26 -0.80 -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 -0.38 2.75 0.09 2.61 -4.23 -0.95 -5.01 115.64 110.51 3pva s THR 97 Ca 0.00 0.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.79 3pva s THR 97 Cb 0.00 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 3pva s THR 97 CO 0.00 -0.32 0.05 -0.89 -0.54 0.00 0.00 174.62 172.92 3pva s THR 98 N -2.88 4.32 0.43 3.99 2.01 -0.18 -4.67 115.64 118.65 3pva s THR 98 Ca 0.63 -0.87 -0.22 0.00 0.31 0.00 0.00 61.69 61.53 3pva s THR 98 Cb -0.18 -3.08 -0.09 0.00 0.01 0.00 0.00 72.50 69.15 3pva s THR 98 CO 0.57 0.11 1.03 -0.83 -0.69 0.00 0.00 174.62 174.81 3pva s GLY 99 N -2.40 2.62 -0.02 4.40 0.00 -1.26 -0.52 107.32 110.14 3pva s GLY 99 Ca 0.28 0.62 0.02 0.00 0.00 0.00 0.00 44.72 45.64 3pva s GLY 99 CO 0.21 0.99 -0.06 -1.50 0.00 0.00 0.00 173.10 172.74 3pva s ILE 100 N -1.83 0.53 0.10 0.90 2.07 0.78 -4.49 121.20 119.25 3pva s ILE 100 Ca 0.61 -0.22 -0.31 0.00 -1.41 0.00 0.00 60.65 59.32 3pva s ILE 100 Cb -0.18 -0.48 -0.07 0.00 0.13 0.00 0.00 42.46 41.85 3pva s ILE 100 CO 0.23 0.18 1.31 0.21 -1.91 0.00 0.00 174.94 174.96 3pva s ASN 101 N 0.24 6.93 0.63 4.50 3.84 -0.03 -1.12 114.94 129.93 3pva s ASN 101 Ca -0.03 2.21 0.30 0.00 0.21 0.00 0.00 52.86 55.55 3pva s ASN 101 Cb -0.07 -2.58 1.64 0.00 -0.55 0.00 0.00 41.25 39.69 3pva s ASN 101 CO -0.00 -0.57 1.99 -0.65 -2.79 0.00 0.00 177.10 175.07 3pva h PRO 102 N 6.74 0.00 0.00 0.43 0.11 -1.87 0.18 132.00 137.59 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 0.84 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.91 3pva n VAL 103 N -3.36 0.53 0.71 3.15 0.31 -1.26 -3.52 118.33 114.89 3pva n VAL 103 Ca 0.02 -0.21 0.08 0.00 -0.01 0.00 0.00 64.34 64.22 3pva n VAL 103 Cb 0.43 -0.62 0.06 0.00 -0.91 0.00 0.00 33.84 32.81 3pva n VAL 103 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3pva n TYR 104 N -2.15 0.00 -0.00 3.52 4.01 0.64 -4.51 117.16 118.67 3pva n TYR 104 Ca 0.06 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.70 3pva n TYR 104 Cb 0.40 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.40 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 3.10 0.55 -0.08 -0.72 2.07 -1.60 -1.71 116.25 117.87 3pva h VAL 105 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3pva h VAL 105 Cb 0.68 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3pva h VAL 105 CO 0.00 0.00 0.05 0.40 0.02 0.00 0.00 177.57 178.04 3pva h ILE 106 N -0.21 1.02 -0.26 4.57 1.08 -1.83 0.14 117.51 122.02 3pva h ILE 106 Ca 0.10 -0.04 0.03 0.00 -0.39 0.00 0.00 64.86 64.56 3pva h ILE 106 Cb 0.36 0.90 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 3pva h ILE 106 CO -0.26 0.02 0.08 0.28 -0.69 0.00 0.00 178.15 177.58 3pva h SER 107 N 0.11 0.08 -0.45 1.72 0.02 -1.77 0.25 113.55 113.51 3pva h SER 107 Ca 0.03 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3pva h SER 107 Cb -0.01 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 3pva h SER 107 CO -0.01 0.08 0.27 1.56 -1.14 0.00 0.00 176.83 177.59 3pva h GLN 108 N 0.19 0.60 -0.25 3.45 1.08 -1.17 0.46 115.11 119.48 3pva h GLN 108 Ca 0.12 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.22 3pva h GLN 108 Cb 0.09 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 3pva h GLN 108 CO -0.13 0.44 -0.03 0.28 -0.95 0.00 0.00 178.83 178.44 3pva h VAL 109 N 0.60 1.27 -0.35 -0.54 2.07 -0.19 -2.67 116.25 116.43 3pva h VAL 109 Ca 0.16 -0.99 -0.09 0.00 0.82 0.00 0.00 66.70 66.61 3pva h VAL 109 Cb -0.01 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3pva h VAL 109 CO -0.03 0.31 -0.14 -0.07 0.02 0.00 0.00 177.57 177.66 3pva h LEU 110 N 0.22 0.61 -1.12 2.57 4.07 -0.48 -0.21 115.31 120.98 3pva h LEU 110 Ca 0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 3pva h LEU 110 Cb 0.47 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 3pva h LEU 110 CO 0.02 0.78 -0.03 1.23 -1.08 0.00 0.00 178.44 179.36 3pva h GLY 111 N 0.97 0.00 0.00 0.83 0.00 -0.84 -3.38 103.07 100.65 3pva h GLY 111 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3pva h GLY 111 CO 0.04 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.28 3pva n ASN 112 N -3.12 0.32 -4.53 0.19 3.02 -0.84 0.03 115.26 110.33 3pva n ASN 112 Ca 0.01 -0.79 -0.24 0.00 -0.03 0.00 0.00 54.58 53.53 3pva n ASN 112 Cb 0.37 0.12 -0.09 0.00 -0.61 0.00 0.00 39.78 39.56 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 -0.49 0.92 -3.30 0.00 0.31 -1.26 -4.76 118.33 109.74 3pva n VAL 114 Ca -0.07 -0.05 -0.20 0.00 -0.01 0.00 0.00 64.34 64.01 3pva n VAL 114 Cb 0.59 -1.76 0.01 0.00 -0.91 0.00 0.00 33.84 31.77 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 -2.30 2.41 0.28 2.52 -4.23 -1.26 -4.24 115.64 108.82 3pva s THR 115 Ca -0.17 -1.16 0.02 0.00 -1.18 0.00 0.00 61.69 59.19 3pva s THR 115 Cb 0.06 -2.57 0.08 0.00 1.34 0.00 0.00 72.50 71.41 3pva s THR 115 CO 0.23 0.00 1.74 -0.37 -0.54 0.00 0.00 174.62 175.68 3pva h VAL 116 N 0.60 1.25 -0.74 2.29 -1.51 -1.95 -2.21 116.25 113.98 3pva h VAL 116 Ca -0.36 -1.17 -0.03 0.00 -1.23 0.00 0.00 66.70 63.90 3pva h VAL 116 Cb 1.28 1.22 -0.03 0.00 -2.13 0.00 0.00 31.29 31.63 3pva h VAL 116 CO 0.49 0.38 0.34 0.44 -1.23 0.00 0.00 177.57 177.99 3pva h ASP 117 N 0.49 0.98 -0.67 4.19 3.32 -1.99 -1.72 116.42 121.02 3pva h ASP 117 Ca 0.08 -0.14 0.07 0.00 0.02 0.00 0.00 57.03 57.06 3pva h ASP 117 Cb 0.60 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.84 3pva h ASP 117 CO 0.04 0.85 0.36 0.44 -1.72 0.00 0.00 179.24 179.21 3pva h ASP 118 N 1.04 0.50 0.34 6.45 3.32 -1.79 -0.48 116.42 125.80 3pva h ASP 118 Ca 0.25 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 3pva h ASP 118 Cb 0.14 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3pva h ASP 118 CO -0.03 0.31 -0.31 0.58 -1.72 0.00 0.00 179.24 178.08 3pva h VAL 119 N 0.64 0.36 -0.43 -1.35 2.07 -1.09 0.17 116.25 116.62 3pva h VAL 119 Ca 0.31 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.91 3pva h VAL 119 Cb 0.25 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.32 3pva h VAL 119 CO -0.21 0.00 0.06 0.40 0.02 0.00 0.00 177.57 177.84 3pva h ILE 120 N -0.66 0.74 0.29 4.57 2.04 -0.82 -2.53 117.51 121.13 3pva h ILE 120 Ca -0.02 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3pva h ILE 120 Cb 0.59 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3pva h ILE 120 CO -0.04 0.03 -0.23 -0.08 0.00 0.00 0.00 178.15 177.83 3pva h GLU 121 N 0.18 -0.51 -0.90 2.37 4.81 -0.88 -3.09 114.58 116.57 3pva h GLU 121 Ca 0.21 0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.63 3pva h GLU 121 Cb 0.28 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 3pva h GLU 121 CO -0.30 -0.34 0.58 0.87 -0.73 0.00 0.00 179.01 179.09 3pva h LYS 122 N -0.53 0.65 0.00 1.92 1.79 -0.25 -2.08 116.57 118.07 3pva h LYS 122 Ca -0.02 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3pva h LYS 122 Cb 0.47 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 3pva h LYS 122 CO -0.02 0.43 0.00 1.28 -1.08 0.00 0.00 179.45 180.06 3pva n LEU 123 N -4.57 0.61 0.27 2.94 4.32 -1.00 -3.27 117.00 116.30 3pva n LEU 123 Ca 0.18 0.62 0.18 0.00 -0.02 0.00 0.00 56.01 56.97 3pva n LEU 123 Cb 0.50 -0.51 0.74 0.00 -1.62 0.00 0.00 43.42 42.53 3pva n LEU 123 CO 0.29 -0.42 1.01 0.71 -1.22 0.00 0.00 177.39 177.76 3pva h THR 124 N 0.00 0.00 -0.49 -5.08 1.35 -1.42 -2.07 112.91 105.20 3pva h THR 124 Ca 0.00 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3pva h THR 124 Cb 0.45 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 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 -3.00 3.34 -4.36 5.36 3.41 -1.20 -4.83 113.62 112.34 3pva n SER 125 Ca 0.00 -1.97 -0.21 0.00 -0.26 0.00 0.00 58.87 56.43 3pva n SER 125 Cb 0.26 -0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.36 1.85 -0.09 7.33 2.02 -0.78 -1.01 117.35 125.30 3pva s TYR 126 Ca 0.41 -0.49 -0.00 0.00 -0.37 0.00 0.00 57.07 56.62 3pva s TYR 126 Cb 0.22 -0.88 0.02 0.00 -0.40 0.00 0.00 41.96 40.93 3pva s TYR 126 CO 0.31 0.40 -0.06 0.99 -1.57 0.00 0.00 175.55 175.61 3pva s THR 127 N -2.48 0.87 -0.02 -0.71 2.01 0.32 -4.81 115.64 110.82 3pva s THR 127 Ca 0.20 -0.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 3pva s THR 127 Cb -0.04 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 3pva s THR 127 CO 0.08 0.33 1.29 -0.76 -0.69 0.00 0.00 174.62 174.87 3pva s LEU 128 N 1.55 4.30 0.25 4.42 1.02 -1.26 -0.16 118.68 128.81 3pva s LEU 128 Ca 0.01 1.96 0.09 0.00 0.02 0.00 0.00 54.13 56.21 3pva s LEU 128 Cb -0.13 -3.56 -0.04 0.00 0.02 0.00 0.00 46.19 42.48 3pva s LEU 128 CO -0.05 -0.64 0.05 -0.76 0.02 0.00 0.00 176.35 174.97 3pva s LEU 129 N 2.23 3.38 -1.48 1.79 1.43 -0.27 -2.20 118.68 123.56 3pva s LEU 129 Ca 0.60 -0.50 -0.09 0.00 -1.03 0.00 0.00 54.13 53.10 3pva s LEU 129 Cb -0.28 -1.92 -0.08 0.00 0.03 0.00 0.00 46.19 43.94 3pva s LEU 129 CO 0.24 0.00 2.77 -3.20 0.23 0.00 0.00 176.35 176.39 3pva n ASN 130 N -0.87 7.81 -4.65 2.29 2.85 -0.32 -4.32 115.26 118.06 3pva n ASN 130 Ca -0.07 -2.53 -0.36 0.00 -0.11 0.00 0.00 54.58 51.51 3pva n ASN 130 Cb 0.58 -1.47 -0.10 0.00 1.24 0.00 0.00 39.78 40.04 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 2.47 4.04 0.99 1.20 2.12 -1.26 -4.92 118.70 123.34 3pva s GLU 131 Ca 0.63 -0.29 -0.17 0.00 0.36 0.00 0.00 54.97 55.50 3pva s GLU 131 Cb 0.16 -3.45 0.22 0.00 0.26 0.00 0.00 34.13 31.32 3pva s GLU 131 CO -0.05 0.11 1.35 0.00 -0.54 0.00 0.00 175.26 176.13 3pva s ALA 132 N 0.88 2.16 0.01 6.30 0.00 -1.26 -4.28 121.76 125.57 3pva s ALA 132 Ca 0.07 -1.29 -0.05 0.00 0.00 0.00 0.00 51.96 50.68 3pva s ALA 132 Cb -0.13 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 20.24 3pva s ALA 132 CO 0.03 -2.57 0.09 0.54 0.00 0.00 0.00 175.76 173.84 3pva s ASN 133 N -4.94 0.11 0.00 0.00 4.22 -1.24 -4.86 114.94 108.22 3pva s ASN 133 Ca 0.76 -0.33 0.17 0.00 -2.14 0.00 0.00 52.86 51.31 3pva s ASN 133 Cb -0.03 0.18 0.80 0.00 1.28 0.00 0.00 41.25 43.48 3pva s ASN 133 CO 0.54 -0.37 1.50 2.30 -2.04 0.00 0.00 177.10 179.03 3pva n ILE 134 N 1.39 0.62 -0.07 0.54 -5.35 -1.26 -0.03 119.36 115.20 3pva n ILE 134 Ca -0.23 0.16 -0.14 0.00 -0.27 0.00 0.00 62.75 62.27 3pva n ILE 134 Cb 0.56 -0.88 -0.12 0.00 -1.74 0.00 0.00 39.64 37.46 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 1.56 0.00 7.28 1.08 -1.95 -3.39 117.51 122.10 3pva h ILE 135 Ca 0.00 -2.23 -0.21 0.00 -0.39 0.00 0.00 64.86 62.03 3pva h ILE 135 Cb 0.19 3.01 -0.04 0.00 -3.07 0.00 0.00 36.82 36.92 3pva h ILE 135 CO 0.00 0.53 -1.93 0.18 -0.69 0.00 0.00 178.15 176.24 3pva n LEU 136 N -4.60 0.33 0.00 1.44 4.32 -1.20 -4.98 117.00 112.31 3pva n LEU 136 Ca -0.12 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 3pva n LEU 136 Cb 0.47 0.22 0.00 0.00 -1.62 0.00 0.00 43.42 42.49 3pva n LEU 136 CO 0.30 0.25 0.00 0.61 -1.22 0.00 0.00 177.39 177.33 3pva n GLY 137 N 1.50 0.88 3.56 -0.72 0.00 0.95 -5.00 105.19 106.36 3pva n GLY 137 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.70 0.42 -0.41 1.61 -0.12 -1.24 -4.68 117.98 110.87 3pva s PHE 138 Ca 0.00 -0.78 -0.22 0.00 -0.05 0.00 0.00 56.93 55.88 3pva s PHE 138 Cb 0.00 0.14 0.02 0.00 -0.63 0.00 0.00 43.02 42.55 3pva s PHE 138 CO 0.00 -0.98 0.73 0.00 -0.05 0.00 0.00 175.22 174.92 3pva s ALA 139 N -4.00 3.37 0.48 1.99 0.00 -1.26 -3.68 121.76 118.65 3pva s ALA 139 Ca 0.24 -0.92 -0.24 0.00 0.00 0.00 0.00 51.96 51.03 3pva s ALA 139 Cb -0.00 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 3pva s ALA 139 CO 0.09 -1.66 1.39 -1.25 0.00 0.00 0.00 175.76 174.33 3pva s PRO 140 N 3.03 3.54 -0.31 0.00 0.04 -1.26 -4.94 135.00 135.10 3pva s PRO 140 Ca 0.28 2.32 -0.29 0.00 0.04 0.00 0.00 61.00 63.35 3pva s PRO 140 Cb -0.13 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.88 3pva s PRO 140 CO 0.19 -0.90 1.27 -1.25 0.04 0.00 0.00 177.00 176.35 3pva s PRO 141 N -2.58 3.93 0.06 0.56 0.04 -1.26 -4.95 135.00 130.80 3pva s PRO 141 Ca 0.64 1.21 0.02 0.00 0.04 0.00 0.00 61.00 62.91 3pva s PRO 141 Cb -0.42 -3.86 -0.03 0.00 0.04 0.00 0.00 34.50 30.23 3pva s PRO 141 CO 0.52 -1.10 -0.07 -0.51 0.04 0.00 0.00 177.00 175.89 3pva s LEU 142 N 4.28 2.35 0.23 -3.56 1.02 -1.26 -0.27 118.68 121.47 3pva s LEU 142 Ca 0.55 -0.71 0.07 0.00 0.02 0.00 0.00 54.13 54.05 3pva s LEU 142 Cb -0.16 -0.12 -0.05 0.00 0.02 0.00 0.00 46.19 45.88 3pva s LEU 142 CO 0.22 -0.31 -0.09 -1.38 0.02 0.00 0.00 176.35 174.81 3pva s HIS 143 N -2.21 1.75 0.14 0.29 -3.43 0.17 -4.47 115.29 107.53 3pva s HIS 143 Ca -0.02 -0.67 0.08 0.00 -0.80 0.00 0.00 55.06 53.64 3pva s HIS 143 Cb -0.04 -0.92 -0.04 0.00 -1.43 0.00 0.00 32.58 30.15 3pva s HIS 143 CO -0.02 0.26 -0.19 0.71 -2.00 0.00 0.00 174.74 173.50 3pva s TYR 144 N -3.06 1.79 0.01 0.38 2.02 -0.30 -1.32 117.35 116.87 3pva s TYR 144 Ca 0.25 -0.45 0.01 0.00 -0.37 0.00 0.00 57.07 56.52 3pva s TYR 144 Cb 0.02 -0.93 -0.01 0.00 -0.40 0.00 0.00 41.96 40.64 3pva s TYR 144 CO 0.09 0.27 -0.04 -0.08 -1.57 0.00 0.00 175.55 174.22 3pva s THR 145 N -1.69 0.31 -0.00 -0.71 -1.32 -1.04 -1.16 115.64 110.03 3pva s THR 145 Ca 0.12 -0.36 -0.01 0.00 -1.21 0.00 0.00 61.69 60.22 3pva s THR 145 Cb -0.07 -0.30 -0.00 0.00 -1.51 0.00 0.00 72.50 70.61 3pva s THR 145 CO 0.06 -0.04 0.02 -0.36 -2.21 0.00 0.00 174.62 172.09 3pva s PHE 146 N -0.39 0.07 -0.04 9.09 0.08 -0.99 -1.66 117.98 124.13 3pva s PHE 146 Ca -0.02 -0.13 -0.02 0.00 0.12 0.00 0.00 56.93 56.89 3pva s PHE 146 Cb -0.03 -0.06 0.03 0.00 -0.57 0.00 0.00 43.02 42.39 3pva s PHE 146 CO -0.00 -0.10 0.07 0.99 -0.10 0.00 0.00 175.22 176.08 3pva s THR 147 N -0.60 -0.10 1.06 0.64 2.01 0.14 -1.58 115.64 117.20 3pva s THR 147 Ca -0.07 0.33 -0.12 0.00 0.31 0.00 0.00 61.69 62.14 3pva s THR 147 Cb -0.04 -0.15 0.23 0.00 0.01 0.00 0.00 72.50 72.54 3pva s THR 147 CO -0.00 0.14 1.06 -1.81 -0.69 0.00 0.00 174.62 173.32 3pva s ASP 148 N 1.72 1.88 0.30 3.53 1.01 -0.46 0.17 116.67 124.82 3pva s ASP 148 Ca -0.01 1.55 0.02 0.00 0.71 0.00 0.00 52.55 54.82 3pva s ASP 148 Cb -0.12 -2.24 0.47 0.00 1.01 0.00 0.00 42.92 42.03 3pva s ASP 148 CO -0.04 -3.65 1.79 0.00 0.21 0.00 0.00 175.17 173.49 3pva h ALA 149 N -2.24 1.21 0.00 5.23 0.00 -1.82 -1.13 119.26 120.50 3pva h ALA 149 Ca -0.56 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.08 3pva h ALA 149 Cb 1.32 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3pva h ALA 149 CO 0.51 0.51 -0.00 0.66 0.00 0.00 0.00 179.25 180.93 3pva h SER 150 N 0.53 0.00 0.00 0.00 4.64 -1.93 -3.41 113.55 113.38 3pva h SER 150 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3pva h SER 150 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3pva h SER 150 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3pva n GLY 151 N -0.51 0.55 3.73 -0.77 0.00 -0.43 -5.04 105.19 102.73 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 -0.94 4.67 0.06 1.61 2.12 -1.26 -4.80 118.70 120.15 3pva s GLU 152 Ca 0.00 1.54 0.09 0.00 0.36 0.00 0.00 54.97 56.96 3pva s GLU 152 Cb 0.00 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 3pva s GLU 152 CO 0.00 0.17 -0.25 -1.12 -0.54 0.00 0.00 175.26 173.53 3pva s SER 153 N -0.07 2.97 0.19 -1.70 0.01 -1.26 -1.35 113.70 112.49 3pva s SER 153 Ca 0.48 -0.60 0.01 0.00 1.31 0.00 0.00 55.95 57.15 3pva s SER 153 Cb -0.25 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 65.68 3pva s SER 153 CO 0.31 0.21 0.04 0.27 0.41 0.00 0.00 173.24 174.49 3pva s ILE 154 N -0.85 0.50 -0.04 1.44 -4.36 -0.62 -2.26 121.20 115.01 3pva s ILE 154 Ca 0.11 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.53 3pva s ILE 154 Cb -0.10 -2.27 0.02 0.00 1.25 0.00 0.00 42.46 41.37 3pva s ILE 154 CO 0.03 -0.32 -0.03 -0.69 0.24 0.00 0.00 174.94 174.17 3pva s VAL 155 N -3.78 0.44 -0.16 8.37 1.01 -0.71 -2.35 120.40 123.21 3pva s VAL 155 Ca 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3pva s VAL 155 Cb 0.07 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.96 3pva s VAL 155 CO 0.07 0.21 -0.17 -0.63 0.00 0.00 0.00 175.10 174.58 3pva s ILE 156 N 1.02 2.48 -0.18 2.22 1.01 -0.31 -0.67 121.20 126.76 3pva s ILE 156 Ca -0.10 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.74 3pva s ILE 156 Cb -0.14 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.32 3pva s ILE 156 CO -0.01 0.52 -0.15 -1.61 0.00 0.00 0.00 174.94 173.69 3pva s GLU 157 N 1.00 2.48 -1.15 2.79 2.02 0.35 -1.15 118.70 125.04 3pva s GLU 157 Ca -0.02 -0.81 -0.22 0.00 0.02 0.00 0.00 54.97 53.95 3pva s GLU 157 Cb -0.15 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.64 3pva s GLU 157 CO -0.04 -0.31 1.81 -1.25 0.02 0.00 0.00 175.26 175.49 3pva s PRO 158 N 1.35 3.12 0.80 0.39 0.04 -1.26 0.52 135.00 139.96 3pva s PRO 158 Ca 0.02 -1.28 -0.10 0.00 0.04 0.00 0.00 61.00 59.69 3pva s PRO 158 Cb -0.14 -5.32 0.12 0.00 0.04 0.00 0.00 34.50 29.19 3pva s PRO 158 CO -0.10 -3.11 1.13 -0.51 0.04 0.00 0.00 177.00 174.45 3pva s ASP 159 N 5.84 4.19 0.29 6.66 1.01 -0.58 0.13 116.67 134.21 3pva s ASP 159 Ca 0.61 0.34 -0.03 0.00 0.71 0.00 0.00 52.55 54.19 3pva s ASP 159 Cb -0.00 -0.74 0.42 0.00 1.01 0.00 0.00 42.92 43.60 3pva s ASP 159 CO 0.06 -2.03 1.96 0.50 0.21 0.00 0.00 175.17 175.87 3pva h LYS 160 N -0.98 1.12 -0.18 8.23 3.64 -1.89 -0.64 116.57 125.87 3pva h LYS 160 Ca -0.44 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3pva h LYS 160 Cb 1.29 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3pva h LYS 160 CO 0.52 0.74 0.00 0.25 -2.27 0.00 0.00 179.45 178.69 3pva n THR 161 N -4.41 0.23 0.00 1.00 -2.24 -1.26 -5.02 114.28 102.59 3pva n THR 161 Ca 0.10 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3pva n THR 161 Cb 0.02 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 0.95 1.69 3.68 3.38 0.00 -0.25 -4.99 105.19 109.64 3pva n GLY 162 Ca 0.12 -2.20 -0.46 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.64 0.30 -4.27 -0.61 2.08 -1.26 -1.52 119.36 113.44 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 -1.77 -0.11 0.00 -0.75 0.00 0.00 39.64 37.01 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 2.51 4.21 -0.12 1.39 2.01 0.19 -4.89 115.64 120.94 3pva s THR 164 Ca 0.85 -0.24 -0.02 0.00 0.31 0.00 0.00 61.69 62.59 3pva s THR 164 Cb -0.65 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 3pva s THR 164 CO 0.44 0.48 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.16 3pva s ILE 165 N 0.33 3.76 -0.23 1.82 -1.09 -1.26 -0.49 121.20 124.05 3pva s ILE 165 Ca -0.01 -0.43 0.01 0.00 -2.23 0.00 0.00 60.65 57.99 3pva s ILE 165 Cb -0.13 -2.60 0.03 0.00 -1.58 0.00 0.00 42.46 38.18 3pva s ILE 165 CO 0.02 0.54 -0.13 -1.00 -1.23 0.00 0.00 174.94 173.14 3pva s HIS 166 N -0.13 3.02 0.08 3.97 3.76 0.15 -4.98 115.29 121.16 3pva s HIS 166 Ca 0.02 -1.81 -0.06 0.00 -0.15 0.00 0.00 55.06 53.06 3pva s HIS 166 Cb -0.13 -1.97 -0.05 0.00 1.11 0.00 0.00 32.58 31.54 3pva s HIS 166 CO 0.03 -0.80 0.33 1.03 -0.85 0.00 0.00 174.74 174.48 3pva s ARG 167 N 1.25 3.62 -0.30 1.40 0.52 -1.26 -1.74 118.95 122.43 3pva s ARG 167 Ca -0.01 -0.07 -0.13 0.00 -0.52 0.00 0.00 55.73 55.00 3pva s ARG 167 Cb -0.16 -2.96 0.02 0.00 0.52 0.00 0.00 34.95 32.37 3pva s ARG 167 CO -0.08 0.55 0.34 0.36 0.02 0.00 0.00 175.30 176.49 3pva n LYS 168 N 0.55 -0.93 -1.53 3.54 2.85 -0.96 -4.96 118.16 116.72 3pva n LYS 168 Ca -0.06 0.61 -0.11 0.00 -1.05 0.00 0.00 58.31 57.70 3pva n LYS 168 Cb 0.52 -1.07 0.06 0.00 -0.65 0.00 0.00 35.03 33.88 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 -0.63 0.00 1.59 0.58 -2.24 -1.07 -4.98 114.28 107.52 3pva n THR 169 Ca -0.09 -0.74 0.14 0.00 -2.27 0.00 0.00 64.05 61.08 3pva n THR 169 Cb 0.36 -1.16 0.78 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.10 0.05 -2.27 2.28 -5.35 -1.26 -4.76 119.36 105.95 3pva n ILE 170 Ca 0.08 0.01 -0.02 0.00 -0.27 0.00 0.00 62.75 62.55 3pva n ILE 170 Cb 0.28 -0.57 0.00 0.00 -1.74 0.00 0.00 39.64 37.61 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 0.82 0.52 3.06 3.28 0.00 -1.26 -4.89 105.19 106.72 3pva n GLY 171 Ca 0.18 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.48 0.70 -0.29 1.61 1.01 -1.26 -1.29 120.40 118.40 3pva s VAL 172 Ca 0.02 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 3pva s VAL 172 Cb -0.01 -0.67 0.14 0.00 0.00 0.00 0.00 36.38 35.83 3pva s VAL 172 CO 0.03 -0.11 0.96 -0.32 0.00 0.00 0.00 175.10 175.65 3pva s MET 173 N -1.03 0.43 0.00 2.72 1.75 0.94 -4.96 119.30 119.15 3pva s MET 173 Ca -0.03 0.70 0.00 0.00 -1.25 0.00 0.00 55.69 55.11 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 0.01 -0.08 0.00 0.25 -0.65 0.00 0.00 175.02 174.54 3pva n THR 174 N 3.50 0.00 -2.37 10.11 -2.24 -1.26 0.10 114.28 122.12 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 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 0.76 -4.73 3.42 4.13 -1.26 -4.69 115.26 112.90 3pva n ASN 175 Ca 0.00 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.93 3pva n ASN 175 Cb 0.00 0.00 0.10 0.00 -1.54 0.00 0.00 39.78 38.34 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 0.96 4.15 0.00 6.41 0.01 -1.26 -4.77 113.70 119.20 3pva s SER 176 Ca 0.00 2.23 0.00 0.00 1.31 0.00 0.00 55.95 59.49 3pva s SER 176 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 3pva s SER 176 CO 0.00 -2.29 0.00 -0.81 0.41 0.00 0.00 173.24 170.55 3pva n PRO 177 N -3.00 3.21 -1.63 12.44 -0.04 -1.26 -4.34 135.00 140.38 3pva n PRO 177 Ca 0.12 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.25 3pva n PRO 177 Cb 0.51 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.03 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 0.00 2.21 0.17 0.55 0.00 -1.26 -4.87 107.32 104.12 3pva s GLY 178 Ca 0.00 0.66 -0.17 0.00 0.00 0.00 0.00 44.72 45.21 3pva s GLY 178 CO 0.00 1.03 1.67 -1.82 0.00 0.00 0.00 173.10 173.97 3pva h TYR 179 N -0.12 -0.21 -0.97 1.90 3.20 -1.99 -1.09 116.97 117.69 3pva h TYR 179 Ca -0.47 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.50 3pva h TYR 179 Cb 1.26 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 39.63 3pva h TYR 179 CO 0.52 -0.18 0.63 1.49 -1.64 0.00 0.00 178.16 178.98 3pva h GLU 180 N 0.00 1.10 -0.19 1.82 4.81 -1.99 -0.75 114.58 119.39 3pva h GLU 180 Ca 0.20 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3pva h GLU 180 Cb 0.31 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 3pva h GLU 180 CO -0.43 0.73 0.02 2.35 -0.73 0.00 0.00 179.01 180.95 3pva h TRP 181 N 1.14 0.02 -0.35 0.92 7.01 -1.56 -1.90 115.95 121.23 3pva h TRP 181 Ca 0.42 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.42 3pva h TRP 181 Cb 0.16 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.22 3pva h TRP 181 CO -0.00 -0.01 0.19 0.45 -2.79 0.00 0.00 178.44 176.28 3pva h HIS 182 N 0.08 0.47 -0.73 2.65 3.86 -1.30 -0.84 115.15 119.34 3pva h HIS 182 Ca 0.09 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 3pva h HIS 182 Cb 0.10 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 3pva h HIS 182 CO -0.16 0.38 0.32 0.37 0.86 0.00 0.00 177.93 179.70 3pva h GLN 183 N 0.43 1.07 -0.40 2.45 4.15 -1.00 -1.99 115.11 119.83 3pva h GLN 183 Ca 0.12 -0.17 -0.13 0.00 0.77 0.00 0.00 58.65 59.24 3pva h GLN 183 Cb 0.06 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 3pva h GLN 183 CO -0.02 0.84 -0.28 1.15 -1.93 0.00 0.00 178.83 178.60 3pva h THR 184 N 1.05 1.27 -0.66 2.39 2.02 -1.15 -2.99 112.91 114.85 3pva h THR 184 Ca 0.25 -1.42 0.06 0.00 0.77 0.00 0.00 66.41 66.06 3pva h THR 184 Cb 0.16 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 3pva h THR 184 CO -0.03 0.48 0.43 -1.13 0.37 0.00 0.00 175.52 175.64 3pva h ASN 185 N 0.72 0.60 -0.88 4.18 -0.00 -0.43 -1.97 115.58 117.79 3pva h ASN 185 Ca 0.09 0.00 0.24 0.00 -0.00 0.00 0.00 56.30 56.62 3pva h ASN 185 Cb 0.82 -0.13 -0.15 0.00 -0.00 0.00 0.00 38.32 38.87 3pva h ASN 185 CO 0.07 0.39 0.20 -0.07 -0.00 0.00 0.00 177.43 178.03 3pva h LEU 186 N 0.68 -0.07 -1.58 0.34 3.38 -1.27 -2.10 115.31 114.69 3pva h LEU 186 Ca 0.28 0.21 0.25 0.00 0.09 0.00 0.00 57.88 58.71 3pva h LEU 186 Cb 0.23 0.30 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 3pva h LEU 186 CO -0.09 -0.19 0.66 0.03 0.09 0.00 0.00 178.44 178.95 3pva h ARG 187 N 0.17 0.29 0.00 1.13 3.08 -1.51 0.41 114.38 117.95 3pva h ARG 187 Ca 0.55 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.59 3pva h ARG 187 Cb 1.13 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3pva h ARG 187 CO -0.69 0.19 0.00 0.00 -1.07 0.00 0.00 179.97 178.40 3pva h ALA 188 N 1.58 1.00 -0.09 0.04 0.00 -1.55 -3.26 119.26 116.99 3pva h ALA 188 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3pva h ALA 188 Cb 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3pva h ALA 188 CO -0.18 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.73 3pva n TYR 189 N -2.31 0.20 0.28 0.00 4.02 0.13 -4.72 117.16 114.77 3pva n TYR 189 Ca 0.03 -0.71 0.17 0.00 -0.01 0.00 0.00 57.90 57.38 3pva n TYR 189 Cb 0.27 -0.11 0.89 0.00 -0.02 0.00 0.00 39.34 40.37 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 0.57 0.00 -0.00 -0.72 3.07 -1.58 -0.62 117.51 118.23 3pva h ILE 190 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3pva h ILE 190 Cb 0.82 0.73 0.00 0.00 -0.27 0.00 0.00 36.82 38.10 3pva h ILE 190 CO 0.03 0.00 -0.01 0.61 -1.05 0.00 0.00 178.15 177.73 3pva n GLY 191 N -1.18 -1.18 3.54 0.16 0.00 -1.26 -4.68 105.19 100.59 3pva n GLY 191 Ca -0.02 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.43 3.76 0.33 1.61 1.01 -0.24 -4.79 120.40 119.65 3pva s VAL 192 Ca 0.33 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.69 3pva s VAL 192 Cb 0.21 -4.91 -0.05 0.00 0.00 0.00 0.00 36.38 31.63 3pva s VAL 192 CO 0.44 -1.83 0.08 0.42 0.00 0.00 0.00 175.10 174.21 3pva s THR 193 N 5.62 0.98 -0.12 3.92 -4.23 0.68 -4.93 115.64 117.56 3pva s THR 193 Ca 0.34 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.15 3pva s THR 193 Cb -0.09 -2.69 0.33 0.00 1.34 0.00 0.00 72.50 71.40 3pva s THR 193 CO 0.14 0.00 1.88 -0.65 -0.54 0.00 0.00 174.62 175.46 3pva h PRO 194 N 2.09 0.00 -5.96 3.99 0.11 -1.94 -3.22 132.00 127.07 3pva h PRO 194 Ca -0.39 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.12 3pva h PRO 194 Cb 1.25 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.30 3pva h PRO 194 CO 0.66 0.00 -0.18 -0.80 -0.21 0.00 0.00 178.00 177.47 3pva s ASN 195 N -4.99 6.79 0.36 -2.05 -0.87 -1.26 -4.69 114.94 108.24 3pva s ASN 195 Ca 0.02 0.94 -0.27 0.00 -1.57 0.00 0.00 52.86 51.97 3pva s ASN 195 Cb 0.09 -2.26 -0.10 0.00 -0.02 0.00 0.00 41.25 38.96 3pva s ASN 195 CO 0.46 0.26 1.30 -2.16 -2.57 0.00 0.00 177.10 174.38 3pva s PRO 196 N -0.71 4.18 0.64 -0.60 0.04 -1.26 -3.52 135.00 133.77 3pva s PRO 196 Ca 0.24 2.18 -0.18 0.00 0.04 0.00 0.00 61.00 63.28 3pva s PRO 196 Cb -0.16 -2.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.44 3pva s PRO 196 CO 0.13 -0.32 1.24 -1.25 0.04 0.00 0.00 177.00 176.84 3pva s PRO 197 N -2.00 2.67 0.67 0.56 0.04 -1.26 -4.92 135.00 130.75 3pva s PRO 197 Ca 0.52 1.90 -0.14 0.00 0.04 0.00 0.00 61.00 63.32 3pva s PRO 197 Cb -0.39 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3pva s PRO 197 CO 0.51 -1.46 1.10 -0.65 0.04 0.00 0.00 177.00 176.54 3pva s GLN 198 N -3.46 2.77 0.55 4.56 -0.21 -1.26 -4.94 119.66 117.66 3pva s GLN 198 Ca 0.79 1.35 -0.18 0.00 0.02 0.00 0.00 55.36 57.33 3pva s GLN 198 Cb -0.33 -1.95 -0.05 0.00 1.00 0.00 0.00 33.01 31.68 3pva s GLN 198 CO 0.38 -1.27 1.08 -0.51 -2.12 0.00 0.00 175.29 172.85 3pva s ASP 199 N -2.70 5.85 0.11 5.90 1.01 -1.26 -5.01 116.67 120.57 3pva s ASP 199 Ca 0.66 1.99 0.00 0.00 0.71 0.00 0.00 52.55 55.91 3pva s ASP 199 Cb -0.20 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.17 3pva s ASP 199 CO 0.43 -1.12 0.01 2.30 0.21 0.00 0.00 175.17 177.00 3pva n ILE 200 N -1.52 0.00 -4.04 0.77 -5.35 -1.07 -5.02 119.36 103.13 3pva n ILE 200 Ca 0.10 -0.57 -0.09 0.00 -0.27 0.00 0.00 62.75 61.92 3pva n ILE 200 Cb 0.52 0.14 -0.11 0.00 -1.74 0.00 0.00 39.64 38.45 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 -2.42 0.48 -0.34 6.28 -1.94 -1.26 -2.05 119.30 118.05 3pva s MET 201 Ca 0.01 -0.87 -0.00 0.00 -1.71 0.00 0.00 55.69 53.12 3pva s MET 201 Cb 0.00 0.02 0.11 0.00 2.01 0.00 0.00 34.83 36.98 3pva s MET 201 CO 0.01 -0.04 0.14 -1.64 -0.01 0.00 0.00 175.02 173.48 3pva s MET 202 N -2.34 0.80 7.26 2.03 -1.94 -0.24 -4.95 119.30 119.92 3pva s MET 202 Ca -0.06 -1.29 0.00 0.00 -1.71 0.00 0.00 55.69 52.63 3pva s MET 202 Cb -0.04 -1.95 0.00 0.00 2.01 0.00 0.00 34.83 34.85 3pva s MET 202 CO -0.03 -1.05 0.00 0.41 -0.01 0.00 0.00 175.02 174.33 3pva n GLY 203 N 4.48 2.66 0.91 -0.03 0.00 -1.26 -0.51 105.19 111.45 3pva n GLY 203 Ca 0.02 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 9.75 2.87 -4.68 1.61 8.00 -1.26 -4.95 116.55 127.88 3pva n ASP 204 Ca 0.00 -1.95 -0.42 0.00 0.71 0.00 0.00 54.79 53.12 3pva n ASP 204 Cb 0.00 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 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 -2.01 4.23 -0.17 0.64 0.20 0.34 -5.03 118.68 116.88 3pva s LEU 205 Ca 0.29 1.48 -0.24 0.00 0.69 0.00 0.00 54.13 56.35 3pva s LEU 205 Cb 0.20 -3.51 -0.02 0.00 -0.43 0.00 0.00 46.19 42.43 3pva s LEU 205 CO 0.31 -0.45 0.77 -1.81 -0.29 0.00 0.00 176.35 174.88 3pva s ASP 206 N 1.10 6.88 -0.19 3.68 1.01 -1.26 -1.08 116.67 126.82 3pva s ASP 206 Ca 0.47 1.08 -0.03 0.00 0.71 0.00 0.00 52.55 54.78 3pva s ASP 206 Cb -0.18 -2.42 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 3pva s ASP 206 CO 0.17 -0.35 -0.06 -0.76 0.21 0.00 0.00 175.17 174.38 3pva s LEU 207 N 2.01 2.90 0.04 1.23 1.43 -0.87 -4.99 118.68 120.42 3pva s LEU 207 Ca 0.36 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3pva s LEU 207 Cb -0.16 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3pva s LEU 207 CO 0.12 0.06 -0.05 0.28 0.23 0.00 0.00 176.35 176.99 3pva s THR 208 N 1.03 0.30 0.74 5.49 -1.32 -1.26 -2.58 115.64 118.04 3pva s THR 208 Ca 0.00 -1.17 -0.15 0.00 -1.21 0.00 0.00 61.69 59.16 3pva s THR 208 Cb -0.15 -0.65 0.03 0.00 -1.51 0.00 0.00 72.50 70.22 3pva s THR 208 CO -0.00 -0.56 1.13 -2.65 -2.21 0.00 0.00 174.62 170.32 3pva n PRO 209 N 1.22 0.50 0.05 7.08 -0.02 -1.26 -4.91 135.00 137.66 3pva n PRO 209 Ca -0.21 0.24 0.03 0.00 -2.02 0.00 0.00 63.50 61.54 3pva n PRO 209 Cb 0.56 -2.38 0.42 0.00 -0.02 0.00 0.00 33.50 32.09 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 -0.36 0.41 0.00 6.00 0.04 -2.04 -3.47 116.94 117.52 3pva h PHE 210 Ca -0.48 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.28 3pva h PHE 210 Cb 1.32 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.34 3pva h PHE 210 CO 0.43 0.33 0.00 0.41 -0.60 0.00 0.00 178.31 178.88 3pva n GLY 211 N -1.26 -0.13 3.85 -1.45 0.00 -1.26 -5.17 105.19 99.78 3pva n GLY 211 Ca 0.01 0.54 -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 2.01 2.24 0.00 1.61 2.00 -1.26 -4.85 119.66 121.41 3pva s GLN 212 Ca 0.00 -2.09 0.00 0.00 -2.00 0.00 0.00 55.36 51.27 3pva s GLN 212 Cb 0.00 -1.94 0.00 0.00 0.80 0.00 0.00 33.01 31.87 3pva s GLN 212 CO 0.00 -0.49 0.00 0.41 -0.50 0.00 0.00 175.29 174.71 3pva n GLY 213 N -1.58 2.71 0.00 2.59 0.00 -1.26 -4.97 105.19 102.68 3pva n GLY 213 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.27 1.57 0.52 4.61 0.00 -1.26 -2.13 120.51 122.55 3pva n ALA 214 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.52 3pva n ALA 214 Cb 0.00 -1.12 0.45 0.00 0.00 0.00 0.00 19.45 18.78 3pva n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pva n GLY 215 N -0.63 -1.36 0.21 0.00 0.00 -1.23 -2.74 105.19 99.43 3pva n GLY 215 Ca 0.04 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.22 3pva n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pva n GLY 216 N 0.46 -0.65 3.69 -0.02 0.00 -0.90 -0.23 105.19 107.53 3pva n GLY 216 Ca 0.04 -0.32 -0.57 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.61 2.21 0.00 0.99 7.94 -1.11 -1.56 117.00 124.86 3pva n LEU 217 Ca 0.17 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 56.16 3pva n LEU 217 Cb 0.27 -1.15 0.00 0.00 0.53 0.00 0.00 43.42 43.08 3pva n LEU 217 CO 0.21 -0.57 0.00 0.61 -1.11 0.00 0.00 177.39 176.53 3pva n GLY 218 N 3.83 2.05 3.69 -3.96 0.00 -1.26 -4.66 105.19 104.89 3pva n GLY 218 Ca 0.25 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 0.31 0.99 0.20 -0.60 -4.96 118.68 118.99 3pva s LEU 219 Ca 0.00 2.57 -0.28 0.00 0.69 0.00 0.00 54.13 57.11 3pva s LEU 219 Cb 0.00 -3.57 -0.09 0.00 -0.43 0.00 0.00 46.19 42.10 3pva s LEU 219 CO 0.00 -0.91 1.11 -2.16 -0.29 0.00 0.00 176.35 174.10 3pva s PRO 220 N 2.42 4.52 0.00 0.98 0.04 -1.26 -4.98 135.00 136.72 3pva s PRO 220 Ca 0.75 1.79 0.22 0.00 0.04 0.00 0.00 61.00 63.80 3pva s PRO 220 Cb -0.42 -3.06 0.29 0.00 0.04 0.00 0.00 34.50 31.35 3pva s PRO 220 CO 0.33 0.11 1.28 0.41 0.04 0.00 0.00 177.00 179.17 3pva n GLY 221 N 1.02 1.26 3.80 0.56 0.00 -1.26 -4.89 105.19 105.68 3pva n GLY 221 Ca 0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.62 3.62 -0.26 1.61 1.47 -1.26 -5.00 116.67 115.23 3pva s ASP 222 Ca 0.31 0.96 0.10 0.00 1.18 0.00 0.00 52.55 55.11 3pva s ASP 222 Cb 0.20 -1.54 0.71 0.00 -0.34 0.00 0.00 42.92 41.95 3pva s ASP 222 CO 0.29 -2.48 1.67 0.49 0.68 0.00 0.00 175.17 175.82 3pva n PHE 223 N -3.72 2.09 -1.37 2.11 3.72 -1.26 -4.37 117.46 114.65 3pva n PHE 223 Ca 0.07 -0.89 -0.32 0.00 -0.05 0.00 0.00 57.45 56.25 3pva n PHE 223 Cb 0.59 -0.57 0.09 0.00 -0.94 0.00 0.00 39.48 38.65 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 -2.67 3.10 0.21 4.37 -4.23 -1.26 -4.79 115.64 110.36 3pva s THR 224 Ca 0.50 0.42 -0.10 0.00 -1.18 0.00 0.00 61.69 61.33 3pva s THR 224 Cb 0.39 -2.87 0.14 0.00 1.34 0.00 0.00 72.50 71.49 3pva s THR 224 CO 0.13 -0.41 1.77 -0.65 -0.54 0.00 0.00 174.62 174.92 3pva h PRO 225 N -0.78 0.48 -0.18 3.99 0.11 -1.93 0.12 132.00 133.81 3pva h PRO 225 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3pva h PRO 225 Cb 1.24 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3pva h PRO 225 CO 0.51 0.32 0.08 0.66 -0.21 0.00 0.00 178.00 179.36 3pva h SER 226 N 0.50 0.24 -0.06 -2.05 4.64 -1.91 0.23 113.55 115.13 3pva h SER 226 Ca 0.30 -0.13 0.01 0.00 -0.47 0.00 0.00 61.79 61.49 3pva h SER 226 Cb 0.30 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3pva h SER 226 CO -0.25 0.30 0.02 0.00 -0.87 0.00 0.00 176.83 176.02 3pva h ALA 227 N 0.95 0.06 -0.51 5.18 0.00 -1.81 -1.99 119.26 121.13 3pva h ALA 227 Ca 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3pva h ALA 227 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3pva h ALA 227 CO -0.01 -0.46 0.31 0.00 0.00 0.00 0.00 179.25 179.10 3pva h ARG 228 N 0.05 0.69 0.02 0.00 3.08 -0.53 -1.20 114.38 116.49 3pva h ARG 228 Ca 0.02 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.04 3pva h ARG 228 Cb 0.01 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 3pva h ARG 228 CO -0.03 0.48 -0.14 0.35 -1.07 0.00 0.00 179.97 179.56 3pva h PHE 229 N 0.70 -0.36 -0.48 3.04 3.04 0.13 -1.82 116.94 121.19 3pva h PHE 229 Ca 0.19 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.22 3pva h PHE 229 Cb -0.03 0.16 -0.06 0.00 2.56 0.00 0.00 35.95 38.58 3pva h PHE 229 CO 0.00 -0.21 0.15 -0.07 -2.02 0.00 0.00 178.31 176.16 3pva h LEU 230 N -0.25 0.12 -0.46 0.59 4.07 -0.57 0.23 115.31 119.04 3pva h LEU 230 Ca 0.04 0.07 -0.05 0.00 0.08 0.00 0.00 57.88 58.02 3pva h LEU 230 Cb 0.29 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 3pva h LEU 230 CO -0.12 0.10 0.11 0.03 -1.08 0.00 0.00 178.44 177.48 3pva h ARG 231 N 0.31 0.74 -0.44 1.13 3.08 -1.04 0.18 114.38 118.33 3pva h ARG 231 Ca 0.23 -0.18 -0.14 0.00 0.07 0.00 0.00 59.98 59.96 3pva h ARG 231 Cb 0.27 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3pva h ARG 231 CO -0.26 0.73 -0.28 0.28 -1.07 0.00 0.00 179.97 179.37 3pva h VAL 232 N 0.62 1.27 0.18 2.04 2.07 -1.02 -1.80 116.25 119.61 3pva h VAL 232 Ca 0.14 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 3pva h VAL 232 Cb 0.32 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3pva h VAL 232 CO 0.00 0.49 -0.09 0.00 0.02 0.00 0.00 177.57 178.00 3pva h ALA 233 N 0.83 -0.25 -0.85 1.67 0.00 -0.74 0.80 119.26 120.72 3pva h ALA 233 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3pva h ALA 233 Cb 0.86 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3pva h ALA 233 CO 0.08 -0.47 0.46 1.88 0.00 0.00 0.00 179.25 181.20 3pva h TYR 234 N -0.58 1.17 0.00 0.00 0.05 -1.02 -0.72 116.97 115.87 3pva h TYR 234 Ca -0.03 -0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.61 3pva h TYR 234 Cb 0.43 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 3pva h TYR 234 CO 0.03 0.81 -0.54 -1.49 -1.05 0.00 0.00 178.16 175.92 3pva h TRP 235 N 1.18 0.00 -0.65 4.88 -0.00 -1.36 -1.35 115.95 118.65 3pva h TRP 235 Ca 0.30 0.00 -0.09 0.00 -0.00 0.00 0.00 58.89 59.10 3pva h TRP 235 Cb 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.17 3pva h TRP 235 CO 0.01 0.54 0.07 -0.22 -0.00 0.00 0.00 178.44 178.84 3pva h LYS 236 N 0.00 1.10 -0.14 0.49 3.64 -0.47 -0.74 116.57 120.45 3pva h LYS 236 Ca -0.01 -0.31 -0.00 0.00 -1.27 0.00 0.00 60.65 59.06 3pva h LYS 236 Cb 1.26 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 3pva h LYS 236 CO 0.07 1.03 0.08 -0.22 -2.27 0.00 0.00 179.45 178.14 3pva h LYS 237 N 1.02 0.19 0.00 1.90 3.64 -0.73 -3.36 116.57 119.23 3pva h LYS 237 Ca 0.19 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3pva h LYS 237 Cb 0.49 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3pva h LYS 237 CO 0.02 0.18 -1.63 0.66 -2.27 0.00 0.00 179.45 176.40 3pva n TYR 238 N -4.96 0.38 -2.35 1.91 4.01 -0.55 -4.94 117.16 110.67 3pva n TYR 238 Ca -0.05 0.11 -0.35 0.00 -0.16 0.00 0.00 57.90 57.46 3pva n TYR 238 Cb 0.05 -0.70 -0.01 0.00 -0.31 0.00 0.00 39.34 38.37 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 -3.42 3.35 0.43 -0.72 -4.23 -0.29 -4.94 115.64 105.83 3pva s THR 239 Ca -0.05 0.86 -0.24 0.00 -1.18 0.00 0.00 61.69 61.08 3pva s THR 239 Cb 0.12 -3.36 -0.10 0.00 1.34 0.00 0.00 72.50 70.50 3pva s THR 239 CO 0.86 -0.17 1.04 -0.62 -0.54 0.00 0.00 174.62 175.20 3pva n GLU 240 N -1.11 1.40 -1.74 3.99 1.02 -1.26 -4.94 120.64 117.99 3pva n GLU 240 Ca 0.10 0.50 -0.42 0.00 -0.02 0.00 0.00 57.16 57.33 3pva n GLU 240 Cb 0.51 -2.10 -0.01 0.00 -0.02 0.00 0.00 31.44 29.83 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 0.05 2.49 -2.44 3.49 4.76 -1.26 -4.94 118.16 120.31 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 0.40 -2.58 -0.03 0.00 -1.84 0.00 0.00 35.03 30.98 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 -0.75 3.39 -0.21 7.82 0.00 -1.26 -4.93 121.76 125.83 3pva s ALA 242 Ca 0.58 0.79 0.17 0.00 0.00 0.00 0.00 51.96 53.50 3pva s ALA 242 Cb -0.52 -3.45 0.08 0.00 0.00 0.00 0.00 23.12 19.23 3pva s ALA 242 CO 0.58 -0.48 1.37 0.87 0.00 0.00 0.00 175.76 178.11 3pva h LYS 243 N 6.92 0.00 0.00 0.00 1.57 -1.92 0.18 116.57 123.32 3pva h LYS 243 Ca -0.40 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.23 3pva h LYS 243 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 3pva h LYS 243 CO 0.82 0.36 -0.03 0.27 -0.57 0.00 0.00 179.45 180.30 3pva n ASN 244 N -3.13 -1.03 -0.25 0.86 0.23 -1.26 -3.57 115.26 107.11 3pva n ASN 244 Ca 0.01 -2.18 -0.07 0.00 -0.53 0.00 0.00 54.58 51.80 3pva n ASN 244 Cb 0.70 1.85 0.04 0.00 -2.08 0.00 0.00 39.78 40.29 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 1.10 -0.38 -3.83 4.81 -1.98 -1.85 114.58 112.45 3pva h GLU 245 Ca -0.19 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 58.73 3pva h GLU 245 Cb 0.78 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 3pva h GLU 245 CO 0.25 0.97 0.04 1.15 -0.73 0.00 0.00 179.01 180.68 3pva h THR 246 N 1.04 1.25 -0.68 0.32 2.02 -1.99 -0.85 112.91 114.00 3pva h THR 246 Ca 0.22 -0.92 0.06 0.00 0.77 0.00 0.00 66.41 66.54 3pva h THR 246 Cb 0.35 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 3pva h THR 246 CO 0.00 0.31 0.39 -0.33 0.37 0.00 0.00 175.52 176.26 3pva h GLU 247 N 0.48 0.70 -0.29 6.66 5.08 -1.95 -1.52 114.58 123.74 3pva h GLU 247 Ca 0.11 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 3pva h GLU 247 Cb 0.41 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 3pva h GLU 247 CO 0.01 0.46 -0.07 0.78 -1.00 0.00 0.00 179.01 179.19 3pva h GLY 248 N 0.72 0.20 0.91 -3.84 0.00 -0.96 0.60 103.07 100.70 3pva h GLY 248 Ca 0.30 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.74 3pva h GLY 248 CO -0.18 -0.11 -0.03 -2.08 0.00 0.00 0.00 176.54 174.14 3pva h VAL 249 N -0.01 0.92 -0.08 4.60 2.07 -0.71 0.01 116.25 123.05 3pva h VAL 249 Ca 0.14 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.54 3pva h VAL 249 Cb 0.22 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3pva h VAL 249 CO -0.30 0.00 -0.48 0.71 0.02 0.00 0.00 177.57 177.52 3pva h THR 250 N -0.05 1.34 -0.33 2.57 1.35 -0.75 -1.72 112.91 115.32 3pva h THR 250 Ca 0.02 -1.68 -0.06 0.00 -0.55 0.00 0.00 66.41 64.14 3pva h THR 250 Cb 0.07 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 3pva h THR 250 CO -0.04 0.50 -0.01 0.78 -0.25 0.00 0.00 175.52 176.50 3pva h ASN 251 N 0.16 0.59 -0.44 5.36 -0.26 0.32 -2.09 115.58 119.22 3pva h ASN 251 Ca 0.01 -0.32 0.04 0.00 -0.56 0.00 0.00 56.30 55.47 3pva h ASN 251 Cb 0.91 -0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 37.97 3pva h ASN 251 CO 0.07 0.76 0.20 -0.07 -1.06 0.00 0.00 177.43 177.33 3pva h LEU 252 N 0.40 0.27 -1.40 1.61 3.38 -0.68 -1.06 115.31 117.83 3pva h LEU 252 Ca 0.09 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3pva h LEU 252 Cb 0.47 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3pva h LEU 252 CO 0.02 0.20 -0.02 -0.26 0.09 0.00 0.00 178.44 178.47 3pva h PHE 253 N 0.40 0.00 0.04 1.13 0.04 -1.19 -1.94 116.94 115.44 3pva h PHE 253 Ca 0.19 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.82 3pva h PHE 253 Cb 0.13 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.29 3pva h PHE 253 CO -0.12 0.02 -0.58 0.45 -0.60 0.00 0.00 178.31 177.48 3pva h HIS 254 N 0.00 0.50 -0.32 -0.55 3.86 -0.70 -2.68 115.15 115.26 3pva h HIS 254 Ca -0.00 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 58.90 3pva h HIS 254 Cb 0.54 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 3pva h HIS 254 CO 0.00 1.16 0.17 0.82 0.86 0.00 0.00 177.93 180.94 3pva h ILE 255 N -0.30 1.14 0.00 2.45 2.04 -1.01 -2.33 117.51 119.51 3pva h ILE 255 Ca -0.09 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3pva h ILE 255 Cb 1.35 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 3pva h ILE 255 CO 0.11 0.15 0.00 0.18 0.00 0.00 0.00 178.15 178.59 3pva n LEU 256 N -4.78 0.13 0.22 1.44 4.77 -0.75 -2.44 117.00 115.59 3pva n LEU 256 Ca -0.01 0.53 0.15 0.00 -0.03 0.00 0.00 56.01 56.64 3pva n LEU 256 Cb 0.09 -0.50 0.54 0.00 -2.33 0.00 0.00 43.42 41.21 3pva n LEU 256 CO 0.35 -0.25 0.93 0.77 -1.33 0.00 0.00 177.39 177.86 3pva h SER 257 N 0.00 0.00 1.01 -1.43 4.64 -1.05 -0.12 113.55 116.60 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 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 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 -2.84 0.10 -0.71 4.97 3.41 -1.02 -3.03 113.62 114.49 3pva n SER 258 Ca 0.02 0.51 0.06 0.00 -0.26 0.00 0.00 58.87 59.20 3pva n SER 258 Cb 0.34 -0.54 0.14 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.59 1.47 -3.18 -3.33 0.24 -0.09 -5.01 118.33 106.84 3pva n VAL 259 Ca 0.07 -2.31 -0.43 0.00 -2.04 0.00 0.00 64.34 59.63 3pva n VAL 259 Cb 0.34 0.11 -0.07 0.00 -1.47 0.00 0.00 33.84 32.74 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 -2.72 6.27 -0.42 -1.34 2.47 -1.02 -4.94 114.94 113.25 3pva s ASN 260 Ca 0.33 -0.50 -0.24 0.00 0.42 0.00 0.00 52.86 52.88 3pva s ASN 260 Cb 0.33 -2.29 0.02 0.00 -1.45 0.00 0.00 41.25 37.86 3pva s ASN 260 CO -0.07 -0.73 0.82 -0.63 -3.72 0.00 0.00 177.10 172.77 3pva s ILE 261 N 2.60 4.63 0.39 -5.21 1.01 -1.26 -4.96 121.20 118.40 3pva s ILE 261 Ca 0.19 0.68 -0.26 0.00 0.00 0.00 0.00 60.65 61.26 3pva s ILE 261 Cb -0.15 -4.31 -0.09 0.00 0.01 0.00 0.00 42.46 37.92 3pva s ILE 261 CO 0.17 -0.64 1.26 -2.84 0.00 0.00 0.00 174.94 172.89 3pva s PRO 262 N 3.34 4.05 0.12 2.79 0.02 -1.26 -2.26 135.00 141.80 3pva s PRO 262 Ca 0.32 2.07 -0.33 0.00 0.02 0.00 0.00 61.00 63.08 3pva s PRO 262 Cb -0.12 -2.78 -0.13 0.00 0.02 0.00 0.00 34.50 31.49 3pva s PRO 262 CO 0.21 -0.39 1.70 1.63 -0.33 0.00 0.00 177.00 179.82 3pva n LYS 263 N 0.22 2.38 0.00 5.54 5.02 -1.26 -2.25 118.16 127.81 3pva n LYS 263 Ca 0.03 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 3pva n LYS 263 Cb 0.44 -2.68 0.00 0.00 -0.02 0.00 0.00 35.03 32.77 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 3.83 2.93 0.17 0.72 0.00 -1.26 -4.94 105.19 106.64 3pva n GLY 264 Ca 0.18 0.00 0.11 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 0.08 -3.23 1.61 -1.51 -1.78 -3.43 116.25 107.99 3pva h VAL 265 Ca 0.00 -1.12 -0.54 0.00 -1.23 0.00 0.00 66.70 63.81 3pva h VAL 265 Cb 0.00 1.86 -0.36 0.00 -2.13 0.00 0.00 31.29 30.66 3pva h VAL 265 CO 0.00 0.05 -0.81 -0.69 -1.23 0.00 0.00 177.57 174.88 3pva s VAL 266 N -3.23 1.15 0.02 7.19 1.01 -1.26 -5.08 120.40 120.19 3pva s VAL 266 Ca 0.04 -0.39 0.09 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 0.72 0.38 -0.25 -0.76 0.00 0.00 0.00 175.10 175.19 3pva s LEU 267 N 1.40 2.19 0.00 3.92 1.43 -1.26 -0.91 118.68 125.45 3pva s LEU 267 Ca -0.00 -0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 3pva s LEU 267 Cb -0.13 -1.33 0.07 0.00 0.03 0.00 0.00 46.19 44.82 3pva s LEU 267 CO -0.06 0.28 0.37 0.35 0.23 0.00 0.00 176.35 177.53 3pva n THR 268 N 1.98 0.00 0.04 5.49 -2.24 0.26 -4.85 114.28 114.96 3pva n THR 268 Ca -0.17 -0.26 -0.08 0.00 -2.27 0.00 0.00 64.05 61.28 3pva n THR 268 Cb 0.52 -1.70 0.07 0.00 -2.10 0.00 0.00 70.33 67.12 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 -0.71 0.49 0.16 3.42 2.35 -2.01 -1.87 115.58 117.40 3pva h ASN 269 Ca -0.12 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.35 3pva h ASN 269 Cb 0.35 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 3pva h ASN 269 CO 0.09 0.98 -0.00 -0.08 -1.65 0.00 0.00 177.43 176.76 3pva h GLU 270 N 0.32 0.00 0.00 0.81 4.57 -2.05 -3.46 114.58 114.77 3pva h GLU 270 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3pva h GLU 270 Cb 1.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3pva h GLU 270 CO 0.11 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.35 3pva n GLY 271 N -0.92 0.75 3.77 1.92 0.00 -0.70 -5.04 105.19 104.97 3pva n GLY 271 Ca -0.02 0.00 -0.38 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 -0.50 4.63 -0.12 1.61 3.01 -1.26 -4.68 119.74 122.42 3pva s LYS 272 Ca 0.00 1.45 -0.23 0.00 -1.01 0.00 0.00 55.97 56.17 3pva s LYS 272 Cb 0.00 -2.95 -0.03 0.00 -1.01 0.00 0.00 37.83 33.84 3pva s LYS 272 CO 0.00 0.30 0.72 -0.08 0.51 0.00 0.00 175.35 176.80 3pva s THR 273 N -1.44 5.00 -0.38 2.17 -1.32 -1.26 -0.58 115.64 117.82 3pva s THR 273 Ca 0.48 1.43 -0.19 0.00 -1.21 0.00 0.00 61.69 62.19 3pva s THR 273 Cb -0.23 -4.04 0.01 0.00 -1.51 0.00 0.00 72.50 66.73 3pva s THR 273 CO 0.28 0.16 0.58 -0.62 -2.21 0.00 0.00 174.62 172.81 3pva s ASP 274 N 0.98 6.34 0.10 8.08 2.15 -0.09 -4.07 116.67 130.16 3pva s ASP 274 Ca 0.36 -0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.22 3pva s ASP 274 Cb -0.17 -2.30 -0.04 0.00 -0.30 0.00 0.00 42.92 40.11 3pva s ASP 274 CO 0.15 -0.60 -0.01 -0.72 -0.17 0.00 0.00 175.17 173.81 3pva s TYR 275 N 2.58 0.80 -0.82 -5.34 1.13 -1.02 -4.31 117.35 110.38 3pva s TYR 275 Ca 0.21 -1.06 -0.25 0.00 -1.41 0.00 0.00 57.07 54.56 3pva s TYR 275 Cb -0.15 -0.49 -0.01 0.00 -1.10 0.00 0.00 41.96 40.21 3pva s TYR 275 CO 0.15 -0.33 1.74 0.99 -2.51 0.00 0.00 175.55 175.60 3pva s THR 276 N -3.83 3.54 0.09 -3.49 2.01 -0.96 -2.40 115.64 110.60 3pva s THR 276 Ca 0.15 -0.17 -0.22 0.00 0.31 0.00 0.00 61.69 61.76 3pva s THR 276 Cb 0.07 -4.30 -0.12 0.00 0.01 0.00 0.00 72.50 68.16 3pva s THR 276 CO -0.04 -1.24 1.68 0.40 -0.69 0.00 0.00 174.62 174.73 3pva h ILE 277 N 6.90 1.09 -3.88 1.82 2.04 -1.31 -3.37 117.51 120.81 3pva h ILE 277 Ca -0.04 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.44 3pva h ILE 277 Cb 1.06 1.07 -0.10 0.00 -0.74 0.00 0.00 36.82 38.11 3pva h ILE 277 CO 1.26 0.08 -0.22 -0.72 0.00 0.00 0.00 178.15 178.56 3pva s TYR 278 N -5.84 0.60 -0.04 1.37 -0.85 -1.25 -1.49 117.35 109.85 3pva s TYR 278 Ca -0.13 -0.92 -0.01 0.00 -0.52 0.00 0.00 57.07 55.48 3pva s TYR 278 Cb 0.07 0.02 0.03 0.00 0.38 0.00 0.00 41.96 42.46 3pva s TYR 278 CO 0.68 -0.95 0.07 0.99 -1.52 0.00 0.00 175.55 174.82 3pva s THR 279 N -3.90 -0.08 0.13 -3.49 2.01 0.18 -1.75 115.64 108.74 3pva s THR 279 Ca 0.26 0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.57 3pva s THR 279 Cb 0.01 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.33 3pva s THR 279 CO 0.11 0.11 -0.10 -0.94 -0.69 0.00 0.00 174.62 173.11 3pva s SER 280 N 1.41 1.65 0.02 3.53 1.04 -0.38 -0.65 113.70 120.33 3pva s SER 280 Ca -0.05 -0.99 -0.01 0.00 0.48 0.00 0.00 55.95 55.38 3pva s SER 280 Cb -0.12 0.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.99 3pva s SER 280 CO -0.04 -0.34 -0.01 0.00 0.98 0.00 0.00 173.24 173.83 3pva s ALA 281 N -3.27 0.10 0.02 5.32 0.00 -0.38 -1.29 121.76 122.26 3pva s ALA 281 Ca 0.15 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.52 3pva s ALA 281 Cb 0.02 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 3pva s ALA 281 CO -0.00 -0.19 -0.04 -1.64 0.00 0.00 0.00 175.76 173.88 3pva s MET 282 N -1.71 0.34 -0.16 0.00 -1.94 0.04 -0.57 119.30 115.29 3pva s MET 282 Ca -0.13 -0.54 0.02 0.00 -1.71 0.00 0.00 55.69 53.32 3pva s MET 282 Cb -0.08 -0.06 0.01 0.00 2.01 0.00 0.00 34.83 36.72 3pva s MET 282 CO -0.02 -0.00 -0.20 0.00 -0.01 0.00 0.00 175.02 174.79 3pva h ALA 284 N 7.53 0.32 -0.09 0.00 0.00 -1.27 -0.95 119.26 124.80 3pva h ALA 284 Ca -0.37 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.32 3pva h ALA 284 Cb 1.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3pva h ALA 284 CO 0.58 -0.21 -0.81 1.96 0.00 0.00 0.00 179.25 180.77 3pva h GLN 285 N 0.33 0.57 0.00 0.00 1.08 -1.87 -3.30 115.11 111.92 3pva h GLN 285 Ca 0.09 -0.50 -0.02 0.00 -1.45 0.00 0.00 58.65 56.78 3pva h GLN 285 Cb -0.03 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3pva h GLN 285 CO -0.03 1.12 -0.81 0.66 -0.95 0.00 0.00 178.83 178.83 3pva h SER 286 N 0.37 0.00 -3.28 1.46 4.64 -1.93 -3.48 113.55 111.33 3pva h SER 286 Ca -0.06 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.92 3pva h SER 286 Cb 1.42 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.53 3pva h SER 286 CO 0.15 0.06 -0.49 0.29 -0.87 0.00 0.00 176.83 175.97 3pva n LYS 287 N -2.80 -3.02 -3.55 4.77 4.01 -0.36 -4.77 118.16 112.44 3pva n LYS 287 Ca 0.00 0.80 -0.34 0.00 -0.51 0.00 0.00 58.31 58.27 3pva n LYS 287 Cb 0.57 -5.32 -0.05 0.00 -0.51 0.00 0.00 35.03 29.72 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 -2.53 6.62 -0.13 4.39 0.02 -1.24 -2.55 114.94 119.53 3pva s ASN 288 Ca 0.15 0.79 0.02 0.00 -1.02 0.00 0.00 52.86 52.80 3pva s ASN 288 Cb -0.07 -2.18 0.02 0.00 0.02 0.00 0.00 41.25 39.04 3pva s ASN 288 CO 0.19 0.11 -0.17 -0.47 0.02 0.00 0.00 177.10 176.78 3pva s TYR 289 N -1.52 2.19 0.07 2.20 6.14 0.30 -2.16 117.35 124.56 3pva s TYR 289 Ca 0.37 -1.10 0.08 0.00 0.64 0.00 0.00 57.07 57.06 3pva s TYR 289 Cb -0.13 -1.56 -0.03 0.00 0.42 0.00 0.00 41.96 40.65 3pva s TYR 289 CO 0.20 -0.56 -0.20 0.71 0.64 0.00 0.00 175.55 176.34 3pva s TYR 290 N 1.08 2.50 -0.05 4.97 1.51 0.26 -0.83 117.35 126.79 3pva s TYR 290 Ca -0.04 -0.29 -0.28 0.00 -1.01 0.00 0.00 57.07 55.45 3pva s TYR 290 Cb -0.14 -1.41 0.06 0.00 -0.11 0.00 0.00 41.96 40.36 3pva s TYR 290 CO -0.04 0.27 0.62 -0.59 -1.11 0.00 0.00 175.55 174.70 3pva s PHE 291 N -0.97 -0.58 0.14 2.71 -0.71 -0.43 -1.25 117.98 116.91 3pva s PHE 291 Ca 0.15 0.99 0.06 0.00 -1.04 0.00 0.00 56.93 57.09 3pva s PHE 291 Cb -0.10 0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 42.02 3pva s PHE 291 CO 0.06 -0.57 -0.14 -1.59 -1.34 0.00 0.00 175.22 171.65 3pva s LYS 292 N -1.20 1.10 0.36 1.99 -2.85 0.18 -0.81 119.74 118.52 3pva s LYS 292 Ca -0.11 -1.35 0.04 0.00 -1.00 0.00 0.00 55.97 53.55 3pva s LYS 292 Cb -0.01 -0.91 -0.06 0.00 -2.06 0.00 0.00 37.83 34.79 3pva s LYS 292 CO 0.09 0.16 0.05 -0.48 0.10 0.00 0.00 175.35 175.27 3pva s LEU 293 N -2.76 2.36 0.19 2.77 0.05 -1.06 -0.65 118.68 119.58 3pva s LEU 293 Ca 0.13 -1.41 -0.20 0.00 0.05 0.00 0.00 54.13 52.69 3pva s LEU 293 Cb -0.03 -0.52 0.14 0.00 -2.05 0.00 0.00 46.19 43.74 3pva s LEU 293 CO 0.03 -0.61 1.58 0.22 -0.55 0.00 0.00 176.35 177.03 3pva h TYR 294 N 1.96 -0.98 -0.06 3.48 3.20 -1.43 -1.83 116.97 121.30 3pva h TYR 294 Ca -0.41 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.54 3pva h TYR 294 Cb 1.25 0.53 0.00 0.00 1.54 0.00 0.00 36.73 40.05 3pva h TYR 294 CO 0.74 -0.39 0.00 -0.25 -1.64 0.00 0.00 178.16 176.62 3pva n ASP 295 N -5.44 0.85 -3.57 -2.11 8.00 -1.26 -4.79 116.55 108.23 3pva n ASP 295 Ca 0.05 -1.48 -0.14 0.00 0.71 0.00 0.00 54.79 53.94 3pva n ASP 295 Cb 0.36 -0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 41.30 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 -1.71 0.63 0.00 -2.24 3.04 -0.69 -2.42 114.94 111.55 3pva s ASN 296 Ca 0.34 0.31 0.28 0.00 0.04 0.00 0.00 52.86 53.83 3pva s ASN 296 Cb 0.17 0.68 1.09 0.00 -1.54 0.00 0.00 41.25 41.66 3pva s ASN 296 CO 0.27 -0.27 1.77 -1.54 -3.04 0.00 0.00 177.10 174.29 3pva n SER 297 N 5.34 1.24 -4.68 -4.21 3.41 -1.26 -2.57 113.62 110.89 3pva n SER 297 Ca -0.06 -1.32 -0.42 0.00 -0.26 0.00 0.00 58.87 56.81 3pva n SER 297 Cb 0.50 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 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 -2.10 4.30 0.27 4.33 3.52 -1.26 -4.97 118.95 123.04 3pva s ARG 298 Ca 0.36 1.76 -0.29 0.00 -0.13 0.00 0.00 55.73 57.43 3pva s ARG 298 Cb 0.21 -3.62 -0.09 0.00 -1.56 0.00 0.00 34.95 29.88 3pva s ARG 298 CO 0.37 -0.55 1.11 0.42 -0.81 0.00 0.00 175.30 175.84 3pva s ILE 299 N 2.62 3.51 -0.03 4.11 1.01 -1.26 -4.60 121.20 126.55 3pva s ILE 299 Ca 0.58 1.49 0.06 0.00 0.00 0.00 0.00 60.65 62.78 3pva s ILE 299 Cb -0.26 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 3pva s ILE 299 CO 0.22 0.34 -0.22 -0.44 0.00 0.00 0.00 174.94 174.84 3pva s SER 300 N -0.77 2.61 0.03 3.58 0.01 0.01 -4.93 113.70 114.24 3pva s SER 300 Ca 0.45 -0.41 0.09 0.00 1.31 0.00 0.00 55.95 57.39 3pva s SER 300 Cb -0.32 -0.45 -0.03 0.00 0.21 0.00 0.00 66.02 65.43 3pva s SER 300 CO 0.41 0.25 -0.25 0.00 0.41 0.00 0.00 173.24 174.05 3pva s ALA 301 N -0.35 2.13 -0.05 1.44 0.00 -1.26 -1.31 121.76 122.36 3pva s ALA 301 Ca 0.04 -1.19 0.04 0.00 0.00 0.00 0.00 51.96 50.85 3pva s ALA 301 Cb -0.10 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.56 3pva s ALA 301 CO 0.01 0.50 -0.16 0.08 0.00 0.00 0.00 175.76 176.20 3pva s VAL 302 N -0.75 1.33 -0.27 0.00 1.01 -0.01 -4.98 120.40 116.73 3pva s VAL 302 Ca 0.11 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 3pva s VAL 302 Cb -0.10 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3pva s VAL 302 CO 0.01 0.39 0.13 -0.55 0.00 0.00 0.00 175.10 175.08 3pva s SER 303 N 0.23 5.55 0.07 3.32 0.15 -1.26 -0.54 113.70 121.21 3pva s SER 303 Ca -0.07 -0.13 -0.29 0.00 0.70 0.00 0.00 55.95 56.16 3pva s SER 303 Cb -0.13 -2.02 -0.17 0.00 -1.71 0.00 0.00 66.02 61.99 3pva s SER 303 CO 0.03 -0.05 1.60 0.25 1.20 0.00 0.00 173.24 176.27 3pva h LEU 304 N 8.30 -0.48 -1.80 3.45 5.85 -1.80 -2.96 115.31 125.87 3pva h LEU 304 Ca -0.37 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3pva h LEU 304 Cb 1.18 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3pva h LEU 304 CO 0.57 -0.30 0.13 0.24 -0.34 0.00 0.00 178.44 178.73 3pva h MET 305 N -0.62 0.00 0.00 1.25 2.86 -1.86 -2.03 114.93 114.53 3pva h MET 305 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3pva h MET 305 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 3pva h MET 305 CO 0.10 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.07 3pva n ALA 306 N -1.83 2.12 -2.03 6.32 0.00 -1.12 -4.84 120.51 119.14 3pva n ALA 306 Ca -0.02 -0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.22 3pva n ALA 306 Cb 0.17 -1.44 0.03 0.00 0.00 0.00 0.00 19.45 18.21 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 -3.12 2.63 -0.36 0.00 0.41 -0.76 -5.06 118.70 112.44 3pva s GLU 307 Ca 0.10 -1.40 -0.25 0.00 -0.41 0.00 0.00 54.97 53.01 3pva s GLU 307 Cb 0.13 -2.70 0.01 0.00 -1.78 0.00 0.00 34.13 29.79 3pva s GLU 307 CO 0.52 -0.47 0.89 1.21 -0.49 0.00 0.00 175.26 176.92 3pva s ASN 308 N -4.45 6.66 0.00 -0.19 2.47 -1.26 -4.90 114.94 113.27 3pva s ASN 308 Ca 0.57 0.56 0.28 0.00 0.42 0.00 0.00 52.86 54.68 3pva s ASN 308 Cb -0.08 -2.45 1.48 0.00 -1.45 0.00 0.00 41.25 38.75 3pva s ASN 308 CO 0.35 -0.81 1.97 0.18 -3.72 0.00 0.00 177.10 175.06 3pva n LEU 309 N 6.65 0.00 -0.91 3.21 4.77 -1.26 -1.93 117.00 127.53 3pva n LEU 309 Ca 0.06 0.20 0.07 0.00 -0.03 0.00 0.00 56.01 56.32 3pva n LEU 309 Cb 0.48 -0.20 0.22 0.00 -2.33 0.00 0.00 43.42 41.59 3pva n LEU 309 CO 0.57 -0.02 0.69 0.59 -1.33 0.00 0.00 177.39 177.88 3pva n ASN 310 N -1.20 3.48 -4.62 -1.43 4.13 -1.26 0.45 115.26 114.81 3pva n ASN 310 Ca 0.15 -2.21 -0.34 0.00 1.68 0.00 0.00 54.58 53.86 3pva n ASN 310 Cb 0.18 -0.37 0.11 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 0.62 0.33 0.06 6.41 7.64 -0.81 -4.89 113.62 122.98 3pva n SER 311 Ca 0.17 0.58 -0.11 0.00 1.01 0.00 0.00 58.87 60.51 3pva n SER 311 Cb 0.59 -1.42 -0.13 0.00 -1.01 0.00 0.00 64.21 62.24 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 -0.78 0.12 -6.21 1.43 1.08 -1.93 -3.44 115.11 105.37 3pva h GLN 312 Ca -0.46 -0.20 -0.48 0.00 -1.45 0.00 0.00 58.65 56.06 3pva h GLN 312 Cb 1.31 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.79 3pva h GLN 312 CO 0.44 1.02 -0.46 -0.51 -0.95 0.00 0.00 178.83 178.37 3pva s ASP 313 N -6.80 5.82 0.25 1.46 1.01 -1.26 -4.95 116.67 112.19 3pva s ASP 313 Ca -0.03 -0.16 -0.30 0.00 0.71 0.00 0.00 52.55 52.78 3pva s ASP 313 Cb 0.08 -1.49 -0.09 0.00 1.01 0.00 0.00 42.92 42.43 3pva s ASP 313 CO 0.84 -0.13 1.28 -0.76 0.21 0.00 0.00 175.17 176.62 3pva s LEU 314 N -3.94 4.44 -0.33 1.23 1.02 -1.26 -4.67 118.68 115.17 3pva s LEU 314 Ca 0.35 2.47 -0.08 0.00 0.02 0.00 0.00 54.13 56.89 3pva s LEU 314 Cb -0.08 -3.62 0.02 0.00 0.02 0.00 0.00 46.19 42.52 3pva s LEU 314 CO 0.27 -0.48 0.14 -0.63 0.02 0.00 0.00 176.35 175.67 3pva s ILE 315 N -0.45 4.23 0.12 -0.59 1.01 -1.06 -4.95 121.20 119.51 3pva s ILE 315 Ca 0.53 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 60.47 3pva s ILE 315 Cb -0.37 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 3pva s ILE 315 CO 0.43 -0.06 -0.09 0.42 0.00 0.00 0.00 174.94 175.64 3pva s THR 316 N 1.52 3.41 -0.11 2.92 -4.23 -1.26 0.23 115.64 118.11 3pva s THR 316 Ca 0.02 -1.31 -0.01 0.00 -1.18 0.00 0.00 61.69 59.21 3pva s THR 316 Cb -0.18 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.07 3pva s THR 316 CO 0.04 0.07 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.79 3pva s PHE 317 N -1.31 1.25 0.52 3.99 0.40 0.53 -4.98 117.98 118.38 3pva s PHE 317 Ca 0.22 -0.63 -0.17 0.00 -0.60 0.00 0.00 56.93 55.75 3pva s PHE 317 Cb -0.11 -1.11 -0.07 0.00 0.51 0.00 0.00 43.02 42.24 3pva s PHE 317 CO 0.15 -0.48 1.00 -2.00 0.70 0.00 0.00 175.22 174.59 3pva s GLU 318 N 1.79 3.83 0.22 0.44 2.56 -1.26 0.05 118.70 126.33 3pva s GLU 318 Ca 0.04 1.06 -0.30 0.00 0.00 0.00 0.00 54.97 55.77 3pva s GLU 318 Cb -0.13 -2.11 -0.09 0.00 2.00 0.00 0.00 34.13 33.80 3pva s GLU 318 CO -0.07 -0.38 0.99 -1.58 -0.56 0.00 0.00 175.26 173.67 3pva s TRP 319 N -2.48 3.83 -0.56 5.30 0.52 -1.26 -4.89 118.94 119.40 3pva s TRP 319 Ca 0.61 1.82 -0.08 0.00 0.02 0.00 0.00 56.10 58.47 3pva s TRP 319 Cb -0.12 -3.09 0.14 0.00 -1.15 0.00 0.00 33.47 29.26 3pva s TRP 319 CO 0.29 0.09 0.43 0.34 0.02 0.00 0.00 176.95 178.13 3pva s ASP 320 N -0.83 5.74 0.00 2.95 2.15 -1.26 -4.94 116.67 120.48 3pva s ASP 320 Ca 0.43 -2.26 0.09 0.00 0.43 0.00 0.00 52.55 51.25 3pva s ASP 320 Cb -0.27 -2.00 0.56 0.00 -0.30 0.00 0.00 42.92 40.91 3pva s ASP 320 CO 0.34 -0.59 1.24 -1.14 -0.17 0.00 0.00 175.17 174.84 3pva n ARG 321 N 4.41 0.85 -3.46 4.34 3.00 -1.26 -4.75 116.66 119.79 3pva n ARG 321 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.51 3pva n ARG 321 Cb 0.41 -1.17 -0.05 0.00 0.00 0.00 0.00 32.46 31.64 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 3.82 -0.27 -0.14 -0.14 -1.26 -4.63 119.74 115.12 3pva s LYS 322 Ca 0.14 0.28 -0.29 0.00 -1.36 0.00 0.00 55.97 54.74 3pva s LYS 322 Cb 0.06 -2.82 -0.01 0.00 -1.68 0.00 0.00 37.83 33.38 3pva s LYS 322 CO 0.11 0.43 1.51 -1.14 -0.76 0.00 0.00 175.35 175.50 3pva s GLN 323 N -2.37 3.78 -1.45 1.68 2.00 -1.02 -4.47 119.66 117.81 3pva s GLN 323 Ca 0.41 1.44 -0.13 0.00 -2.00 0.00 0.00 55.36 55.08 3pva s GLN 323 Cb -0.13 -4.00 0.05 0.00 0.80 0.00 0.00 33.01 29.73 3pva s GLN 323 CO 0.20 -1.31 2.24 -3.47 -0.50 0.00 0.00 175.29 172.45 3pva n ASP 324 N 8.37 4.33 -4.74 6.67 -0.08 -1.26 -4.96 116.55 124.88 3pva n ASP 324 Ca 0.18 -2.85 -0.41 0.00 -1.51 0.00 0.00 54.79 50.19 3pva n ASP 324 Cb 0.46 -1.63 -0.03 0.00 2.34 0.00 0.00 41.12 42.26 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 2.81 3.12 -0.23 5.18 -1.09 -1.26 -4.87 121.20 124.87 3pva s ILE 325 Ca 0.48 0.95 -0.15 0.00 -2.23 0.00 0.00 60.65 59.70 3pva s ILE 325 Cb 0.14 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.37 3pva s ILE 325 CO -0.08 0.15 0.37 -0.75 -1.23 0.00 0.00 174.94 173.41 3pva s LYS 326 N -0.36 4.10 -0.19 2.79 2.20 -1.26 -5.05 119.74 121.97 3pva s LYS 326 Ca 0.56 0.11 -0.23 0.00 -0.36 0.00 0.00 55.97 56.04 3pva s LYS 326 Cb -0.37 -3.58 -0.02 0.00 -1.51 0.00 0.00 37.83 32.35 3pva s LYS 326 CO 0.40 -0.13 0.73 -0.65 -0.36 0.00 0.00 175.35 175.35 3pva s GLN 327 N 1.60 4.24 0.02 4.03 -0.21 -1.26 -4.92 119.66 123.16 3pva s GLN 327 Ca 0.17 0.81 -0.01 0.00 0.02 0.00 0.00 55.36 56.35 3pva s GLN 327 Cb -0.15 -3.59 -0.26 0.00 1.00 0.00 0.00 33.01 30.01 3pva s GLN 327 CO 0.08 -0.31 0.90 -0.07 -2.12 0.00 0.00 175.29 173.77 3pva h LEU 328 N 8.38 0.31 0.00 2.90 4.07 -2.01 -3.47 115.31 125.49 3pva h LEU 328 Ca -0.29 -0.43 -0.21 0.00 0.08 0.00 0.00 57.88 57.02 3pva h LEU 328 Cb 1.13 -0.10 -0.05 0.00 1.08 0.00 0.00 40.66 42.72 3pva h LEU 328 CO 0.81 1.36 -0.19 -0.46 -1.08 0.00 0.00 178.44 178.87 3pva n ASN 329 N -3.41 0.38 -4.56 -0.43 6.94 -1.26 -5.05 115.26 107.86 3pva n ASN 329 Ca -0.14 -1.90 -0.34 0.00 -0.02 0.00 0.00 54.58 52.17 3pva n ASN 329 Cb 1.03 0.56 -0.04 0.00 -2.36 0.00 0.00 39.78 38.97 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 -2.60 3.13 0.92 -3.83 0.74 -1.26 -4.97 119.66 111.78 3pva s GLN 330 Ca 0.13 -0.92 -0.12 0.00 0.05 0.00 0.00 55.36 54.50 3pva s GLN 330 Cb 0.01 -5.26 0.14 0.00 1.10 0.00 0.00 33.01 29.00 3pva s GLN 330 CO 0.09 -2.85 1.10 0.08 -0.55 0.00 0.00 175.29 173.15 3pva s VAL 331 N 7.49 2.48 -0.41 1.34 1.01 -1.26 -4.96 120.40 126.08 3pva s VAL 331 Ca 0.58 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.77 3pva s VAL 331 Cb -0.02 -2.70 0.64 0.00 0.00 0.00 0.00 36.38 34.30 3pva s VAL 331 CO -0.02 -0.20 1.82 -3.20 0.00 0.00 0.00 175.10 173.50 3pva n ASN 332 N -3.90 3.57 -2.92 3.32 5.15 -1.26 -4.99 115.26 114.24 3pva n ASN 332 Ca 0.06 -3.62 -0.07 0.00 -0.60 0.00 0.00 54.58 50.35 3pva n ASN 332 Cb 0.56 -0.79 0.00 0.00 -0.53 0.00 0.00 39.78 39.02 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 -1.08 -0.89 -1.59 3.44 0.31 -1.26 -5.31 118.33 111.94 3pva n VAL 333 Ca 0.54 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.85 3pva n VAL 333 Cb 1.54 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 33.68 3pva n VAL 333 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31