#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 1.77 -0.19 0.00 0.01 -1.22 -4.01 113.70 110.04 3pva s SER 2 Ca 0.00 -0.90 -0.28 0.00 1.31 0.00 0.00 55.95 56.08 3pva s SER 2 Cb 0.00 -0.02 0.11 0.00 0.21 0.00 0.00 66.02 66.32 3pva s SER 2 CO 0.00 -0.26 0.94 -0.94 0.41 0.00 0.00 173.24 173.40 3pva s SER 3 N -2.76 -0.47 0.18 2.44 1.04 0.11 -0.27 113.70 113.96 3pva s SER 3 Ca 0.11 0.69 -0.20 0.00 0.48 0.00 0.00 55.95 57.03 3pva s SER 3 Cb -0.01 0.63 0.05 0.00 0.10 0.00 0.00 66.02 66.78 3pva s SER 3 CO 0.01 -0.31 0.57 -1.48 0.98 0.00 0.00 173.24 173.01 3pva s LEU 4 N -0.54 -0.23 0.07 2.42 2.34 -0.13 -0.29 118.68 122.33 3pva s LEU 4 Ca -0.01 -0.24 0.06 0.00 0.06 0.00 0.00 54.13 53.99 3pva s LEU 4 Cb -0.02 2.39 -0.03 0.00 -0.56 0.00 0.00 46.19 47.97 3pva s LEU 4 CO 0.00 -1.02 -0.16 -0.94 -1.06 0.00 0.00 176.35 173.17 3pva s SER 5 N -2.81 1.85 0.33 1.48 1.04 -0.31 -0.73 113.70 114.56 3pva s SER 5 Ca 0.05 -0.61 0.04 0.00 0.48 0.00 0.00 55.95 55.90 3pva s SER 5 Cb -0.01 -0.08 -0.06 0.00 0.10 0.00 0.00 66.02 65.97 3pva s SER 5 CO -0.08 -0.03 0.07 0.27 0.98 0.00 0.00 173.24 174.45 3pva s ILE 6 N -1.19 1.09 -0.11 -1.02 -0.00 -0.40 -4.91 121.20 114.66 3pva s ILE 6 Ca 0.00 -2.00 0.02 0.00 -0.00 0.00 0.00 60.65 58.68 3pva s ILE 6 Cb -0.10 -2.73 0.01 0.00 -0.00 0.00 0.00 42.46 39.64 3pva s ILE 6 CO 0.02 0.00 -0.18 -0.60 -0.00 0.00 0.00 174.94 174.18 3pva s ARG 7 N -3.88 2.51 0.81 0.37 6.06 -1.26 -1.58 118.95 121.98 3pva s ARG 7 Ca 0.35 -0.67 -0.12 0.00 -2.50 0.00 0.00 55.73 52.78 3pva s ARG 7 Cb 0.08 -2.04 0.18 0.00 0.06 0.00 0.00 34.95 33.23 3pva s ARG 7 CO 0.15 0.00 1.10 0.25 -2.50 0.00 0.00 175.30 174.30 3pva n THR 8 N 4.01 0.00 1.11 4.11 -2.24 0.58 -4.52 114.28 117.32 3pva n THR 8 Ca -0.20 -0.91 0.13 0.00 -2.27 0.00 0.00 64.05 60.81 3pva n THR 8 Cb 0.52 -1.50 0.41 0.00 -2.10 0.00 0.00 70.33 67.66 3pva n THR 8 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3pva n THR 9 N -3.44 0.00 1.19 4.28 -2.24 0.86 -3.60 114.28 111.33 3pva n THR 9 Ca 0.14 -0.03 0.14 0.00 -2.27 0.00 0.00 64.05 62.04 3pva n THR 9 Cb 0.50 0.04 0.68 0.00 -2.10 0.00 0.00 70.33 69.45 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 -1.29 0.00 -1.29 3.42 2.03 -1.25 -4.89 116.55 113.28 3pva n ASP 10 Ca 0.08 0.18 -0.07 0.00 0.52 0.00 0.00 54.79 55.50 3pva n ASP 10 Cb 0.33 -0.39 0.02 0.00 -0.72 0.00 0.00 41.12 40.35 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 -3.19 -4.65 1.67 8.00 -1.24 -5.04 116.55 110.71 3pva n ASP 11 Ca 0.10 -0.13 -0.34 0.00 0.71 0.00 0.00 54.79 55.14 3pva n ASP 11 Cb 0.28 -1.96 -0.10 0.00 -0.02 0.00 0.00 41.12 39.32 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 -5.11 2.84 -0.12 -1.24 1.02 -1.26 -4.94 119.74 110.93 3pva s LYS 12 Ca 0.14 -0.52 -0.02 0.00 0.02 0.00 0.00 55.97 55.59 3pva s LYS 12 Cb -0.06 -2.69 -0.03 0.00 -0.52 0.00 0.00 37.83 34.54 3pva s LYS 12 CO 0.17 0.66 -0.05 -1.12 -0.92 0.00 0.00 175.35 174.09 3pva s SER 13 N -1.09 4.72 0.08 2.83 0.01 -1.26 -0.31 113.70 118.67 3pva s SER 13 Ca 0.15 -0.08 0.07 0.00 1.31 0.00 0.00 55.95 57.39 3pva s SER 13 Cb -0.11 -1.52 -0.03 0.00 0.21 0.00 0.00 66.02 64.56 3pva s SER 13 CO 0.05 0.26 -0.17 -0.76 0.41 0.00 0.00 173.24 173.02 3pva s LEU 14 N -0.17 2.26 0.04 2.44 1.02 -0.61 -0.45 118.68 123.22 3pva s LEU 14 Ca 0.03 -0.62 0.06 0.00 0.02 0.00 0.00 54.13 53.62 3pva s LEU 14 Cb -0.13 -0.72 -0.02 0.00 0.02 0.00 0.00 46.19 45.34 3pva s LEU 14 CO 0.03 0.01 -0.18 0.12 0.02 0.00 0.00 176.35 176.34 3pva s PHE 15 N -1.14 1.60 0.05 0.29 5.36 0.14 -1.28 117.98 123.01 3pva s PHE 15 Ca 0.03 -0.37 -0.03 0.00 -0.96 0.00 0.00 56.93 55.60 3pva s PHE 15 Cb -0.10 -0.95 -0.02 0.00 -0.34 0.00 0.00 43.02 41.61 3pva s PHE 15 CO 0.03 0.08 0.04 0.00 -1.46 0.00 0.00 175.22 173.91 3pva s ALA 16 N -0.82 0.19 0.05 11.12 0.00 0.09 -0.10 121.76 132.28 3pva s ALA 16 Ca 0.05 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 50.93 3pva s ALA 16 Cb -0.08 0.29 0.05 0.00 0.00 0.00 0.00 23.12 23.38 3pva s ALA 16 CO 0.02 -0.36 0.52 -0.98 0.00 0.00 0.00 175.76 174.95 3pva s ARG 17 N -3.31 1.03 0.12 0.00 1.04 -0.53 -0.95 118.95 116.35 3pva s ARG 17 Ca 0.01 -0.23 0.04 0.00 -1.04 0.00 0.00 55.73 54.51 3pva s ARG 17 Cb 0.03 0.47 -0.04 0.00 -2.04 0.00 0.00 34.95 33.37 3pva s ARG 17 CO -0.08 -0.37 0.09 0.95 -0.04 0.00 0.00 175.30 175.85 3pva s THR 18 N -2.43 4.42 -0.33 4.99 -4.23 0.62 -1.18 115.64 117.49 3pva s THR 18 Ca -0.05 -0.96 -0.00 0.00 -1.18 0.00 0.00 61.69 59.49 3pva s THR 18 Cb -0.01 -3.19 0.08 0.00 1.34 0.00 0.00 72.50 70.73 3pva s THR 18 CO -0.02 0.01 0.06 -0.32 -0.54 0.00 0.00 174.62 173.81 3pva s MET 19 N -2.72 2.09 -0.40 3.99 1.75 -0.56 -3.46 119.30 119.99 3pva s MET 19 Ca 0.30 -1.56 -0.08 0.00 -1.25 0.00 0.00 55.69 53.10 3pva s MET 19 Cb -0.11 -3.27 0.07 0.00 2.84 0.00 0.00 34.83 34.36 3pva s MET 19 CO 0.22 -0.81 0.21 -0.51 -0.65 0.00 0.00 175.02 173.49 3pva s ASP 20 N 1.33 5.51 0.25 1.11 1.01 -1.26 -1.05 116.67 123.57 3pva s ASP 20 Ca 0.01 -1.48 0.01 0.00 0.71 0.00 0.00 52.55 51.80 3pva s ASP 20 Cb -0.21 -1.94 -0.05 0.00 1.01 0.00 0.00 42.92 41.74 3pva s ASP 20 CO -0.04 -0.49 0.12 0.12 0.21 0.00 0.00 175.17 175.09 3pva s PHE 21 N 1.38 1.43 -1.13 4.23 5.36 -0.82 -4.35 117.98 124.08 3pva s PHE 21 Ca 0.02 -1.28 0.25 0.00 -0.96 0.00 0.00 56.93 54.96 3pva s PHE 21 Cb -0.22 -0.78 0.48 0.00 -0.34 0.00 0.00 43.02 42.16 3pva s PHE 21 CO 0.01 -0.47 1.40 0.25 -1.46 0.00 0.00 175.22 174.95 3pva n THR 22 N -0.42 0.00 -3.77 0.12 -2.24 -1.26 -2.28 114.28 104.43 3pva n THR 22 Ca 0.01 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 3pva n THR 22 Cb 0.66 0.34 -0.08 0.00 -2.10 0.00 0.00 70.33 69.15 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 -2.91 0.75 -0.54 -0.78 -2.45 -1.26 -4.74 119.30 107.37 3pva s MET 23 Ca 0.13 -0.44 -0.04 0.00 -1.25 0.00 0.00 55.69 54.09 3pva s MET 23 Cb 0.18 0.33 0.14 0.00 1.25 0.00 0.00 34.83 36.72 3pva s MET 23 CO 0.68 -0.23 0.36 -1.21 1.05 0.00 0.00 175.02 175.67 3pva s GLU 24 N -2.21 2.39 0.56 4.11 2.02 -1.26 -5.08 118.70 119.23 3pva s GLU 24 Ca -0.07 -2.21 -0.20 0.00 0.02 0.00 0.00 54.97 52.50 3pva s GLU 24 Cb -0.02 -3.72 -0.05 0.00 0.10 0.00 0.00 34.13 30.44 3pva s GLU 24 CO -0.01 -1.15 1.20 -1.25 0.02 0.00 0.00 175.26 174.07 3pva s PRO 25 N 0.49 3.19 0.01 0.39 0.04 -1.26 -4.83 135.00 133.03 3pva s PRO 25 Ca 0.13 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 3pva s PRO 25 Cb -0.21 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 3pva s PRO 25 CO -0.04 -1.02 1.99 -0.25 0.04 0.00 0.00 177.00 177.72 3pva n ASP 26 N -1.32 4.06 -4.23 6.66 8.00 -1.26 -4.92 116.55 123.54 3pva n ASP 26 Ca 0.12 0.85 -0.18 0.00 0.71 0.00 0.00 54.79 56.29 3pva n ASP 26 Cb 0.49 -1.52 -0.11 0.00 -0.02 0.00 0.00 41.12 39.96 3pva n ASP 26 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3pva s SER 27 N 4.74 1.96 0.28 -2.24 0.01 -1.26 -4.49 113.70 112.71 3pva s SER 27 Ca 0.90 -0.79 -0.21 0.00 1.31 0.00 0.00 55.95 57.17 3pva s SER 27 Cb -0.44 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 65.75 3pva s SER 27 CO 0.42 -0.14 0.75 -1.59 0.41 0.00 0.00 173.24 173.10 3pva s LYS 28 N -2.57 1.80 -0.05 12.44 0.00 -1.06 -4.65 119.74 125.65 3pva s LYS 28 Ca 0.08 -1.03 -0.21 0.00 0.00 0.00 0.00 55.97 54.81 3pva s LYS 28 Cb -0.05 0.59 -0.05 0.00 0.00 0.00 0.00 37.83 38.32 3pva s LYS 28 CO 0.03 -0.83 0.59 0.54 0.00 0.00 0.00 175.35 175.68 3pva s VAL 29 N -3.62 5.03 -0.08 1.79 0.11 0.11 -2.35 120.40 121.39 3pva s VAL 29 Ca 0.12 1.22 0.04 0.00 -2.93 0.00 0.00 61.98 60.43 3pva s VAL 29 Cb -0.05 -3.93 -0.01 0.00 -1.53 0.00 0.00 36.38 30.85 3pva s VAL 29 CO 0.07 0.35 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.36 3pva s ILE 30 N 0.31 2.51 -0.23 7.04 1.01 0.37 -0.57 121.20 131.65 3pva s ILE 30 Ca 0.31 -0.89 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 3pva s ILE 30 Cb -0.17 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 3pva s ILE 30 CO 0.15 0.56 0.06 -0.63 0.00 0.00 0.00 174.94 175.08 3pva s ILE 31 N -0.10 4.37 -0.29 2.92 1.01 0.10 -1.84 121.20 127.36 3pva s ILE 31 Ca -0.04 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.37 3pva s ILE 31 Cb -0.14 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.31 3pva s ILE 31 CO 0.04 0.38 0.11 -0.69 0.00 0.00 0.00 174.94 174.78 3pva s VAL 32 N 1.23 4.33 0.47 2.92 1.01 0.55 -2.56 120.40 128.34 3pva s VAL 32 Ca 0.04 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 3pva s VAL 32 Cb -0.14 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 3pva s VAL 32 CO 0.03 0.14 0.97 -2.16 0.00 0.00 0.00 175.10 174.08 3pva s PRO 33 N 1.58 4.08 0.48 2.72 0.04 -1.26 -0.63 135.00 142.01 3pva s PRO 33 Ca 0.04 1.05 -0.21 0.00 0.04 0.00 0.00 61.00 61.92 3pva s PRO 33 Cb -0.17 -2.16 -0.10 0.00 0.04 0.00 0.00 34.50 32.12 3pva s PRO 33 CO 0.04 -0.16 0.71 0.54 0.04 0.00 0.00 177.00 178.17 3pva n ARG 34 N -1.10 0.79 -2.89 4.56 1.74 0.12 -2.49 116.66 117.40 3pva n ARG 34 Ca 0.07 0.29 -0.21 0.00 -0.77 0.00 0.00 57.85 57.23 3pva n ARG 34 Cb 0.54 -1.77 0.02 0.00 -1.02 0.00 0.00 32.46 30.22 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 0.64 -5.51 0.14 0.55 5.03 0.12 -4.76 115.26 111.47 3pva n ASN 35 Ca 0.11 -0.20 -0.24 0.00 0.87 0.00 0.00 54.58 55.12 3pva n ASN 35 Cb 0.42 -4.51 -0.16 0.00 -1.02 0.00 0.00 39.78 34.52 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 -0.90 0.92 0.00 3.10 3.20 -1.70 -3.45 116.97 118.14 3pva h TYR 36 Ca -0.49 -0.67 0.00 0.00 3.14 0.00 0.00 58.73 60.71 3pva h TYR 36 Cb 1.34 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.57 3pva h TYR 36 CO 0.58 1.54 0.00 0.41 -1.64 0.00 0.00 178.16 179.05 3pva n GLY 37 N 1.71 -1.17 3.08 1.82 0.00 -1.26 -4.94 105.19 104.43 3pva n GLY 37 Ca -0.16 -1.24 -0.25 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.20 1.29 0.88 -0.61 -1.09 -0.03 -4.88 121.20 115.56 3pva s ILE 38 Ca 0.00 -0.61 -0.10 0.00 -2.23 0.00 0.00 60.65 57.71 3pva s ILE 38 Cb 0.00 -1.14 0.13 0.00 -1.58 0.00 0.00 42.46 39.87 3pva s ILE 38 CO 0.00 0.38 1.13 -0.13 -1.23 0.00 0.00 174.94 175.10 3pva s ARG 39 N 0.33 1.29 -0.16 2.79 1.81 -1.26 -1.06 118.95 122.68 3pva s ARG 39 Ca -0.09 1.46 -0.02 0.00 -1.72 0.00 0.00 55.73 55.36 3pva s ARG 39 Cb -0.13 -1.77 -0.10 0.00 -0.45 0.00 0.00 34.95 32.50 3pva s ARG 39 CO 0.03 -2.41 -0.17 -0.11 -0.68 0.00 0.00 175.30 171.96 3pva n LEU 40 N -4.08 2.48 -4.28 2.53 7.94 -1.21 -4.81 117.00 115.57 3pva n LEU 40 Ca 0.11 -0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.77 3pva n LEU 40 Cb 0.52 -0.55 -0.13 0.00 0.53 0.00 0.00 43.42 43.80 3pva n LEU 40 CO 0.50 0.65 -0.52 -0.76 -1.11 0.00 0.00 177.39 176.16 3pva s LEU 41 N -6.23 2.28 0.35 -1.96 1.02 -1.26 -0.79 118.68 112.09 3pva s LEU 41 Ca -0.22 -0.66 0.22 0.00 0.02 0.00 0.00 54.13 53.49 3pva s LEU 41 Cb 0.07 -0.89 0.21 0.00 0.02 0.00 0.00 46.19 45.60 3pva s LEU 41 CO 0.35 0.07 1.41 -0.08 0.02 0.00 0.00 176.35 178.12 3pva h GLU 42 N 4.21 0.00 -0.67 1.70 4.57 -1.94 -3.29 114.58 119.17 3pva h GLU 42 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 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 0.40 0.02 0.00 1.63 -1.18 0.00 0.00 179.01 179.88 3pva n LYS 43 N -2.96 2.73 -4.27 1.92 5.02 -1.26 -4.90 118.16 114.44 3pva n LYS 43 Ca 0.02 -2.57 -0.18 0.00 -2.02 0.00 0.00 58.31 53.56 3pva n LYS 43 Cb 0.55 -1.53 -0.13 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.03 0.78 0.00 1.97 2.02 -1.24 -5.06 118.70 116.14 3pva s GLU 44 Ca 0.45 -0.68 0.22 0.00 0.02 0.00 0.00 54.97 54.98 3pva s GLU 44 Cb 0.24 -0.74 0.55 0.00 0.10 0.00 0.00 34.13 34.28 3pva s GLU 44 CO 0.31 0.18 1.45 0.27 0.02 0.00 0.00 175.26 177.49 3pva n ASN 45 N 1.94 2.70 -4.70 -0.19 0.23 -1.26 -4.54 115.26 109.43 3pva n ASN 45 Ca -0.18 -1.89 -0.43 0.00 -0.53 0.00 0.00 54.58 51.55 3pva n ASN 45 Cb 0.55 -0.20 -0.03 0.00 -2.08 0.00 0.00 39.78 38.02 3pva n ASN 45 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 3pva n VAL 46 N 1.00 0.15 -4.22 3.53 0.31 -1.26 -4.98 118.33 112.85 3pva n VAL 46 Ca 0.18 -0.03 -0.33 0.00 -0.01 0.00 0.00 64.34 64.15 3pva n VAL 46 Cb 0.48 -2.01 -0.15 0.00 -0.91 0.00 0.00 33.84 31.25 3pva n VAL 46 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3pva s VAL 47 N 1.81 2.55 -0.08 2.52 1.01 -1.26 -3.33 120.40 123.61 3pva s VAL 47 Ca 0.78 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 61.77 3pva s VAL 47 Cb -0.51 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3pva s VAL 47 CO 0.35 0.51 0.59 -0.63 0.00 0.00 0.00 175.10 175.91 3pva s ILE 48 N 1.16 5.09 -0.02 2.22 -1.09 -0.23 -4.84 121.20 123.49 3pva s ILE 48 Ca 0.01 1.20 -0.29 0.00 -2.23 0.00 0.00 60.65 59.34 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 -0.06 0.31 0.95 0.21 -1.23 0.00 0.00 174.94 175.12 3pva s ASN 49 N 0.56 7.31 -0.23 3.58 3.84 -1.26 -0.85 114.94 127.89 3pva s ASN 49 Ca 0.31 1.59 -0.22 0.00 0.21 0.00 0.00 52.86 54.75 3pva s ASN 49 Cb -0.17 -2.55 -0.02 0.00 -0.55 0.00 0.00 41.25 37.97 3pva s ASN 49 CO 0.15 -0.27 0.70 0.54 -2.79 0.00 0.00 177.10 175.43 3pva s ASN 50 N 1.00 6.70 0.23 -4.21 4.22 -1.26 -4.91 114.94 116.71 3pva s ASN 50 Ca 0.50 0.87 -0.07 0.00 -2.14 0.00 0.00 52.86 52.01 3pva s ASN 50 Cb -0.20 -2.38 0.20 0.00 1.28 0.00 0.00 41.25 40.15 3pva s ASN 50 CO 0.26 -0.39 1.85 0.28 -2.04 0.00 0.00 177.10 177.06 3pva h SER 51 N 7.70 1.09 -3.03 3.54 0.02 -1.74 0.36 113.55 121.48 3pva h SER 51 Ca -0.27 -0.10 -0.62 0.00 -0.84 0.00 0.00 61.79 59.97 3pva h SER 51 Cb 1.12 -0.28 -0.11 0.00 0.14 0.00 0.00 62.40 63.27 3pva h SER 51 CO 0.81 0.87 -0.66 -0.31 -1.14 0.00 0.00 176.83 176.40 3pva s TYR 52 N -5.86 2.89 0.27 3.45 2.02 0.10 -4.59 117.35 115.63 3pva s TYR 52 Ca -0.13 -0.10 -0.19 0.00 -0.37 0.00 0.00 57.07 56.28 3pva s TYR 52 Cb 0.16 -1.43 -0.09 0.00 -0.40 0.00 0.00 41.96 40.21 3pva s TYR 52 CO 0.82 0.50 0.75 0.00 -1.57 0.00 0.00 175.55 176.06 3pva s ALA 53 N -1.59 3.35 0.09 3.71 0.00 -1.26 -4.30 121.76 121.77 3pva s ALA 53 Ca 0.27 0.16 -0.16 0.00 0.00 0.00 0.00 51.96 52.23 3pva s ALA 53 Cb -0.10 -2.84 0.03 0.00 0.00 0.00 0.00 23.12 20.21 3pva s ALA 53 CO 0.18 0.31 0.37 -0.59 0.00 0.00 0.00 175.76 176.04 3pva s PHE 54 N -1.71 -0.17 0.03 0.00 -0.12 0.20 -1.92 117.98 114.29 3pva s PHE 54 Ca 0.48 -0.05 0.05 0.00 -0.05 0.00 0.00 56.93 57.35 3pva s PHE 54 Cb -0.14 0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.42 3pva s PHE 54 CO 0.20 -0.63 -0.15 0.54 -0.05 0.00 0.00 175.22 175.13 3pva s VAL 55 N -3.29 1.16 0.00 -2.49 0.11 0.43 -0.33 120.40 115.98 3pva s VAL 55 Ca -0.00 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.10 3pva s VAL 55 Cb 0.01 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 3pva s VAL 55 CO -0.08 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.37 3pva n GLY 56 N 2.03 0.60 3.89 6.54 0.00 -0.77 -0.73 105.19 116.76 3pva n GLY 56 Ca -0.17 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.04 3.48 -0.00 1.61 -2.45 -1.22 -0.48 119.30 119.20 3pva s MET 57 Ca 0.00 -0.19 -0.01 0.00 -1.25 0.00 0.00 55.69 54.24 3pva s MET 57 Cb 0.00 -3.12 0.00 0.00 1.25 0.00 0.00 34.83 32.96 3pva s MET 57 CO 0.00 0.70 0.05 0.41 1.05 0.00 0.00 175.02 177.23 3pva n GLY 58 N 1.31 0.45 3.44 2.11 0.00 -0.99 -0.59 105.19 110.92 3pva n GLY 58 Ca -0.14 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.10 3.60 -0.17 1.61 0.15 0.12 -2.57 113.70 115.34 3pva s SER 59 Ca 0.01 -0.68 0.17 0.00 0.70 0.00 0.00 55.95 56.15 3pva s SER 59 Cb -0.00 -0.37 0.43 0.00 -1.71 0.00 0.00 66.02 64.37 3pva s SER 59 CO -0.00 0.17 1.32 0.35 1.20 0.00 0.00 173.24 176.27 3pva n THR 60 N 0.74 2.16 0.92 6.45 -2.24 -1.26 -0.25 114.28 120.80 3pva n THR 60 Ca -0.16 -2.15 0.13 0.00 -2.27 0.00 0.00 64.05 59.61 3pva n THR 60 Cb 0.53 -0.26 0.44 0.00 -2.10 0.00 0.00 70.33 68.95 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 -0.93 0.31 -4.65 3.42 8.00 -1.26 -4.85 116.55 116.58 3pva n ASP 61 Ca 0.20 0.25 -0.32 0.00 0.71 0.00 0.00 54.79 55.62 3pva n ASP 61 Cb 0.80 -0.24 -0.07 0.00 -0.02 0.00 0.00 41.12 41.59 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 -1.64 0.00 -0.18 0.53 -5.35 -1.26 -5.01 119.36 106.45 3pva n ILE 62 Ca 0.06 -2.40 -0.09 0.00 -0.27 0.00 0.00 62.75 60.05 3pva n ILE 62 Cb 0.36 0.49 -0.07 0.00 -1.74 0.00 0.00 39.64 38.68 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 1.27 0.00 -2.37 7.28 2.02 -1.96 -3.42 112.91 115.74 3pva h THR 63 Ca -0.42 0.00 -0.52 0.00 0.77 0.00 0.00 66.41 66.25 3pva h THR 63 Cb 1.28 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 3pva h THR 63 CO 0.69 0.00 -0.50 -0.44 0.37 0.00 0.00 175.52 175.64 3pva s SER 64 N -4.55 5.84 0.27 4.18 0.01 -1.26 -5.00 113.70 113.18 3pva s SER 64 Ca -0.10 -0.08 -0.31 0.00 1.31 0.00 0.00 55.95 56.78 3pva s SER 64 Cb 0.07 -1.60 -0.12 0.00 0.21 0.00 0.00 66.02 64.58 3pva s SER 64 CO 0.44 -0.01 1.56 -2.65 0.41 0.00 0.00 173.24 173.00 3pva n PRO 65 N -0.94 2.53 -3.76 12.44 -0.02 -1.26 -4.86 135.00 139.13 3pva n PRO 65 Ca -0.08 0.90 -0.37 0.00 -2.02 0.00 0.00 63.50 61.94 3pva n PRO 65 Cb 0.56 -2.66 -0.11 0.00 -0.02 0.00 0.00 33.50 31.27 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 0.13 4.76 -0.08 -1.45 1.01 0.66 -4.81 120.40 120.62 3pva s VAL 66 Ca 0.67 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.63 3pva s VAL 66 Cb -0.54 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 3pva s VAL 66 CO 0.47 0.34 -0.09 -0.76 0.00 0.00 0.00 175.10 175.06 3pva s LEU 67 N 1.37 3.04 -0.05 3.92 1.02 -1.26 0.12 118.68 126.83 3pva s LEU 67 Ca 0.06 -0.11 0.07 0.00 0.02 0.00 0.00 54.13 54.17 3pva s LEU 67 Cb -0.15 -1.67 -0.24 0.00 0.02 0.00 0.00 46.19 44.16 3pva s LEU 67 CO 0.05 0.31 0.63 1.88 0.02 0.00 0.00 176.35 179.24 3pva h TYR 68 N 5.66 0.14 -2.83 0.29 0.05 -1.23 -3.42 116.97 115.63 3pva h TYR 68 Ca -0.43 -0.11 0.05 0.00 0.05 0.00 0.00 58.73 58.30 3pva h TYR 68 Cb 1.18 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.89 3pva h TYR 68 CO 0.54 1.21 0.36 0.16 -1.05 0.00 0.00 178.16 179.38 3pva s ASP 69 N -6.40 -0.04 0.00 3.88 1.47 -1.23 0.14 116.67 114.49 3pva s ASP 69 Ca -0.09 -0.91 0.00 0.00 1.18 0.00 0.00 52.55 52.73 3pva s ASP 69 Cb 0.08 0.72 0.00 0.00 -0.34 0.00 0.00 42.92 43.38 3pva s ASP 69 CO 0.81 -1.42 0.00 0.61 0.68 0.00 0.00 175.17 175.86 3pva n GLY 70 N -0.56 1.75 3.41 2.12 0.00 -0.61 -3.39 105.19 107.91 3pva n GLY 70 Ca -0.06 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.93 2.22 0.68 1.61 1.01 0.09 -2.46 120.40 121.62 3pva s VAL 71 Ca 0.00 -2.18 0.03 0.00 0.00 0.00 0.00 61.98 59.83 3pva s VAL 71 Cb 0.00 -2.13 0.12 0.00 0.00 0.00 0.00 36.38 34.37 3pva s VAL 71 CO 0.00 -0.33 0.93 0.20 0.00 0.00 0.00 175.10 175.91 3pva s ASN 72 N -3.08 4.56 0.05 3.32 0.02 -0.96 -0.43 114.94 118.42 3pva s ASN 72 Ca 0.24 -0.59 0.24 0.00 -1.02 0.00 0.00 52.86 51.73 3pva s ASN 72 Cb -0.05 0.19 0.34 0.00 0.02 0.00 0.00 41.25 41.74 3pva s ASN 72 CO 0.11 -1.72 1.29 -1.84 0.02 0.00 0.00 177.10 174.96 3pva n GLU 73 N -2.64 0.16 0.01 -0.60 0.28 -0.81 -3.64 120.64 113.40 3pva n GLU 73 Ca 0.16 0.03 0.11 0.00 -0.16 0.00 0.00 57.16 57.30 3pva n GLU 73 Cb 0.61 -1.59 0.06 0.00 1.43 0.00 0.00 31.44 31.95 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 -1.81 0.08 -0.29 3.44 4.01 -1.26 -4.99 118.16 117.35 3pva n LYS 74 Ca 0.04 -0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 3pva n LYS 74 Cb 0.39 -1.53 0.00 0.00 -0.51 0.00 0.00 35.03 33.39 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 1.46 0.77 3.70 0.72 0.00 -1.24 -4.74 105.19 105.86 3pva n GLY 75 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 4.32 0.20 0.99 2.96 -1.26 -3.02 118.68 122.87 3pva s LEU 76 Ca 0.00 1.57 0.07 0.00 -0.22 0.00 0.00 54.13 55.55 3pva s LEU 76 Cb 0.00 -3.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.14 3pva s LEU 76 CO 0.00 -0.31 0.06 -0.04 -1.32 0.00 0.00 176.35 174.74 3pva s MET 77 N 1.32 2.57 -0.21 1.98 -1.94 0.30 -2.27 119.30 121.05 3pva s MET 77 Ca 0.49 -1.11 -0.36 0.00 -1.71 0.00 0.00 55.69 53.01 3pva s MET 77 Cb -0.20 -2.41 0.15 0.00 2.01 0.00 0.00 34.83 34.38 3pva s MET 77 CO 0.24 0.44 1.33 0.20 -0.01 0.00 0.00 175.02 177.21 3pva s GLY 78 N -3.25 -0.29 -0.15 -0.03 0.00 -1.03 -0.70 107.32 101.87 3pva s GLY 78 Ca 0.30 1.57 -0.28 0.00 0.00 0.00 0.00 44.72 46.31 3pva s GLY 78 CO 0.21 0.49 0.69 0.00 0.00 0.00 0.00 173.10 174.49 3pva s ALA 79 N -2.19 -1.75 -0.15 3.20 0.00 -0.69 -1.57 121.76 118.61 3pva s ALA 79 Ca 0.12 1.63 -0.21 0.00 0.00 0.00 0.00 51.96 53.49 3pva s ALA 79 Cb 0.01 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 3pva s ALA 79 CO -0.04 -0.35 0.64 -1.64 0.00 0.00 0.00 175.76 174.37 3pva s MET 80 N -0.46 4.29 0.13 0.00 -1.94 0.12 -2.50 119.30 118.94 3pva s MET 80 Ca -0.06 0.68 0.07 0.00 -1.71 0.00 0.00 55.69 54.67 3pva s MET 80 Cb -0.02 -3.52 -0.04 0.00 2.01 0.00 0.00 34.83 33.25 3pva s MET 80 CO 0.06 -0.11 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.29 3pva s LEU 81 N 1.46 2.39 0.64 -0.03 1.02 -0.52 -4.91 118.68 118.73 3pva s LEU 81 Ca 0.31 -0.80 -0.18 0.00 0.02 0.00 0.00 54.13 53.48 3pva s LEU 81 Cb -0.16 -0.64 -0.02 0.00 0.02 0.00 0.00 46.19 45.40 3pva s LEU 81 CO 0.12 -0.10 1.25 -0.31 0.02 0.00 0.00 176.35 177.34 3pva s TYR 82 N -1.96 2.19 -0.39 0.29 1.51 -1.26 0.25 117.35 117.97 3pva s TYR 82 Ca 0.09 1.51 0.11 0.00 -1.01 0.00 0.00 57.07 57.77 3pva s TYR 82 Cb -0.06 -3.60 0.37 0.00 -0.11 0.00 0.00 41.96 38.56 3pva s TYR 82 CO 0.04 -2.64 1.02 0.98 -1.11 0.00 0.00 175.55 173.84 3pva n TYR 83 N -1.87 -1.11 -1.71 2.71 9.36 0.81 -4.18 117.16 121.18 3pva n TYR 83 Ca 0.15 -2.72 -0.43 0.00 3.32 0.00 0.00 57.90 58.22 3pva n TYR 83 Cb 0.49 0.63 -0.01 0.00 -0.63 0.00 0.00 39.34 39.82 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 0.06 1.55 -0.32 2.98 0.00 -1.26 -1.62 120.51 121.91 3pva n ALA 84 Ca 0.10 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3pva n ALA 84 Cb 0.74 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 0.82 0.00 0.00 0.00 -1.04 -1.26 -4.66 114.28 108.14 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 0.36 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 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 -1.87 -1.42 3.72 -1.08 -5.04 117.46 109.78 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 0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.52 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 -1.91 3.74 -0.10 4.37 0.00 -0.64 -4.06 121.76 123.16 3pva s ALA 87 Ca 0.00 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.30 3pva s ALA 87 Cb 0.00 -3.69 0.02 0.00 0.00 0.00 0.00 23.12 19.44 3pva s ALA 87 CO 0.00 -1.04 -0.12 0.99 0.00 0.00 0.00 175.76 175.59 3pva s THR 88 N 2.21 1.25 0.06 0.00 2.01 0.12 -4.93 115.64 116.36 3pva s THR 88 Ca 0.75 -0.49 0.07 0.00 0.31 0.00 0.00 61.69 62.33 3pva s THR 88 Cb -0.43 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 3pva s THR 88 CO 0.33 0.39 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.19 3pva s TYR 89 N 1.12 2.64 0.79 4.92 2.02 -1.26 -4.57 117.35 123.00 3pva s TYR 89 Ca -0.05 -0.21 -0.12 0.00 -0.37 0.00 0.00 57.07 56.32 3pva s TYR 89 Cb -0.14 -1.46 0.07 0.00 -0.40 0.00 0.00 41.96 40.02 3pva s TYR 89 CO -0.02 0.32 1.13 0.00 -1.57 0.00 0.00 175.55 175.40 3pva s ALA 90 N -1.01 2.48 -0.09 3.71 0.00 -0.97 -4.52 121.76 121.36 3pva s ALA 90 Ca 0.17 -0.44 -0.12 0.00 0.00 0.00 0.00 51.96 51.57 3pva s ALA 90 Cb -0.11 -3.03 -0.28 0.00 0.00 0.00 0.00 23.12 19.71 3pva s ALA 90 CO 0.08 -1.63 0.53 -0.44 0.00 0.00 0.00 175.76 174.30 3pva h ASP 91 N -1.02 0.47 -4.23 0.00 3.32 -1.96 -0.66 116.42 112.34 3pva h ASP 91 Ca -0.47 -0.90 -0.47 0.00 0.02 0.00 0.00 57.03 55.21 3pva h ASP 91 Cb 1.29 -0.15 -0.21 0.00 0.22 0.00 0.00 39.33 40.48 3pva h ASP 91 CO 0.63 1.75 -0.79 -1.61 -1.72 0.00 0.00 179.24 177.50 3pva s GLU 92 N -2.53 0.99 0.64 3.56 0.41 -1.26 -4.73 118.70 115.79 3pva s GLU 92 Ca -0.20 -1.11 -0.18 0.00 -0.41 0.00 0.00 54.97 53.07 3pva s GLU 92 Cb 0.05 -1.08 -0.02 0.00 -1.78 0.00 0.00 34.13 31.31 3pva s GLU 92 CO 0.79 0.24 1.25 -2.30 -0.49 0.00 0.00 175.26 174.75 3pva n PRO 93 N 1.01 1.09 -1.60 0.39 -0.02 -1.26 -4.96 135.00 129.64 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 0.55 -2.48 0.06 0.00 -0.02 0.00 0.00 33.50 31.60 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 -3.29 2.60 -0.28 -0.52 -0.14 -1.26 -4.86 119.74 111.99 3pva s LYS 94 Ca 0.82 1.35 -0.39 0.00 -1.36 0.00 0.00 55.97 56.39 3pva s LYS 94 Cb -0.38 -1.93 -0.15 0.00 -1.68 0.00 0.00 37.83 33.69 3pva s LYS 94 CO 0.41 -1.40 1.86 0.36 -0.76 0.00 0.00 175.35 175.82 3pva n LYS 95 N -2.74 1.21 0.00 1.68 0.00 -1.26 -2.23 118.16 114.82 3pva n LYS 95 Ca 0.10 0.42 0.00 0.00 -0.00 0.00 0.00 58.31 58.84 3pva n LYS 95 Cb 0.52 -2.21 0.00 0.00 -0.00 0.00 0.00 35.03 33.34 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 4.81 3.04 3.73 2.58 0.00 -1.26 -5.05 105.19 113.04 3pva n GLY 96 Ca 0.30 -0.84 -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 2.83 0.06 2.61 -4.23 -0.95 -5.01 115.64 110.55 3pva s THR 97 Ca 0.00 0.27 0.03 0.00 -1.18 0.00 0.00 61.69 60.81 3pva s THR 97 Cb 0.00 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 3pva s THR 97 CO 0.00 -0.35 0.02 -0.89 -0.54 0.00 0.00 174.62 172.86 3pva s THR 98 N -2.93 4.19 0.45 3.99 2.01 -0.27 -4.66 115.64 118.44 3pva s THR 98 Ca 0.63 -0.81 -0.22 0.00 0.31 0.00 0.00 61.69 61.60 3pva s THR 98 Cb -0.18 -2.97 -0.08 0.00 0.01 0.00 0.00 72.50 69.28 3pva s THR 98 CO 0.57 0.20 1.07 -0.83 -0.69 0.00 0.00 174.62 174.93 3pva s GLY 99 N -2.10 2.65 -0.02 4.40 0.00 -1.26 -1.07 107.32 109.92 3pva s GLY 99 Ca 0.25 0.71 0.01 0.00 0.00 0.00 0.00 44.72 45.69 3pva s GLY 99 CO 0.17 1.09 -0.05 -1.50 0.00 0.00 0.00 173.10 172.81 3pva s ILE 100 N -1.78 0.44 0.09 0.90 2.07 0.11 -4.48 121.20 118.56 3pva s ILE 100 Ca 0.64 -0.17 -0.31 0.00 -1.41 0.00 0.00 60.65 59.39 3pva s ILE 100 Cb -0.21 -0.41 -0.07 0.00 0.13 0.00 0.00 42.46 41.90 3pva s ILE 100 CO 0.25 0.15 1.31 0.21 -1.91 0.00 0.00 174.94 174.96 3pva s ASN 101 N 0.25 6.93 0.56 4.50 3.84 0.03 -1.64 114.94 129.41 3pva s ASN 101 Ca -0.03 2.19 0.29 0.00 0.21 0.00 0.00 52.86 55.53 3pva s ASN 101 Cb -0.07 -2.58 1.46 0.00 -0.55 0.00 0.00 41.25 39.51 3pva s ASN 101 CO -0.00 -0.58 1.89 -0.65 -2.79 0.00 0.00 177.10 174.97 3pva h PRO 102 N 6.84 0.00 0.00 0.43 0.11 -1.87 0.20 132.00 137.72 3pva h PRO 102 Ca -0.42 0.00 -0.01 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 -0.04 0.28 -0.21 0.00 0.00 178.00 178.88 3pva h VAL 103 N 0.00 0.08 -0.02 3.15 2.07 -1.92 -3.20 116.25 116.42 3pva h VAL 103 Ca 0.30 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3pva h VAL 103 Cb 1.40 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 3pva h VAL 103 CO -0.00 0.04 -0.38 -1.22 0.02 0.00 0.00 177.57 176.03 3pva n TYR 104 N -3.13 0.00 -0.18 1.57 4.01 0.70 -4.50 117.16 115.63 3pva n TYR 104 Ca 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.75 3pva n TYR 104 Cb 0.39 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.50 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 2.60 0.64 -0.46 -0.72 2.07 -1.58 -1.54 116.25 117.26 3pva h VAL 105 Ca 0.00 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3pva h VAL 105 Cb 0.74 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3pva h VAL 105 CO 0.00 0.04 0.21 0.40 0.02 0.00 0.00 177.57 178.24 3pva h ILE 106 N 0.21 1.19 -0.25 4.57 1.08 -1.82 0.18 117.51 122.67 3pva h ILE 106 Ca 0.28 -0.55 -0.01 0.00 -0.39 0.00 0.00 64.86 64.20 3pva h ILE 106 Cb 0.42 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 3pva h ILE 106 CO -0.39 0.21 0.14 0.28 -0.69 0.00 0.00 178.15 177.69 3pva h SER 107 N 0.60 0.32 -0.47 1.72 0.02 -1.73 -0.16 113.55 113.85 3pva h SER 107 Ca 0.16 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3pva h SER 107 Cb 0.14 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3pva h SER 107 CO -0.02 0.32 0.23 1.56 -1.14 0.00 0.00 176.83 177.78 3pva h GLN 108 N 0.29 0.67 -0.14 3.45 1.08 -1.18 -0.32 115.11 118.96 3pva h GLN 108 Ca 0.09 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 3pva h GLN 108 Cb 0.07 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.37 3pva h GLN 108 CO -0.01 0.56 -0.01 0.28 -0.95 0.00 0.00 178.83 178.69 3pva h VAL 109 N 0.61 1.27 -0.20 -0.54 2.07 -0.41 -2.63 116.25 116.41 3pva h VAL 109 Ca 0.16 -0.88 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 3pva h VAL 109 Cb 0.11 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3pva h VAL 109 CO -0.02 0.26 -0.23 -0.07 0.02 0.00 0.00 177.57 177.53 3pva h LEU 110 N -0.03 0.36 -0.61 2.57 4.07 -1.01 0.15 115.31 120.82 3pva h LEU 110 Ca 0.04 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.89 3pva h LEU 110 Cb 0.40 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.04 3pva h LEU 110 CO 0.01 0.60 0.00 1.23 -1.08 0.00 0.00 178.44 179.20 3pva h GLY 111 N 0.98 0.00 0.00 0.83 0.00 -0.91 -3.39 103.07 100.58 3pva h GLY 111 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 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 -2.48 0.14 -4.56 0.19 3.02 -0.78 0.01 115.26 110.80 3pva n ASN 112 Ca 0.03 -0.58 -0.24 0.00 -0.03 0.00 0.00 54.58 53.76 3pva n ASN 112 Cb 0.32 0.13 -0.09 0.00 -0.61 0.00 0.00 39.78 39.54 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 -0.65 0.80 -3.39 0.00 0.31 -1.26 -4.77 118.33 109.37 3pva n VAL 114 Ca -0.07 -0.04 -0.22 0.00 -0.01 0.00 0.00 64.34 64.01 3pva n VAL 114 Cb 0.59 -1.71 0.02 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 -2.25 2.17 0.24 2.52 -4.23 -1.26 -4.26 115.64 108.57 3pva s THR 115 Ca -0.15 -1.21 -0.01 0.00 -1.18 0.00 0.00 61.69 59.14 3pva s THR 115 Cb 0.05 -2.38 0.04 0.00 1.34 0.00 0.00 72.50 71.55 3pva s THR 115 CO 0.19 0.00 1.66 -0.37 -0.54 0.00 0.00 174.62 175.56 3pva h VAL 116 N 0.55 1.27 -0.75 2.29 -1.51 -1.94 -2.04 116.25 114.13 3pva h VAL 116 Ca -0.35 -1.34 -0.02 0.00 -1.23 0.00 0.00 66.70 63.76 3pva h VAL 116 Cb 1.29 1.31 -0.04 0.00 -2.13 0.00 0.00 31.29 31.72 3pva h VAL 116 CO 0.49 0.44 0.41 0.44 -1.23 0.00 0.00 177.57 178.11 3pva h ASP 117 N 0.56 0.94 -0.75 4.19 3.32 -1.98 -1.21 116.42 121.49 3pva h ASP 117 Ca 0.08 -0.10 0.10 0.00 0.02 0.00 0.00 57.03 57.12 3pva h ASP 117 Cb 0.73 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.97 3pva h ASP 117 CO 0.06 0.77 0.39 0.44 -1.72 0.00 0.00 179.24 179.17 3pva h ASP 118 N 1.03 0.51 0.04 6.45 3.32 -1.76 -0.31 116.42 125.71 3pva h ASP 118 Ca 0.26 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 3pva h ASP 118 Cb 0.04 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3pva h ASP 118 CO -0.04 0.29 -0.03 0.58 -1.72 0.00 0.00 179.24 178.32 3pva h VAL 119 N 0.65 0.94 -0.57 -1.35 2.07 -0.97 0.12 116.25 117.14 3pva h VAL 119 Ca 0.37 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.92 3pva h VAL 119 Cb 0.39 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3pva h VAL 119 CO -0.27 0.00 0.33 0.40 0.02 0.00 0.00 177.57 178.05 3pva h ILE 120 N -0.07 1.02 0.57 4.57 2.04 -0.62 -2.57 117.51 122.46 3pva h ILE 120 Ca -0.00 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3pva h ILE 120 Cb 0.06 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3pva h ILE 120 CO 0.00 0.12 -0.29 -0.08 0.00 0.00 0.00 178.15 177.89 3pva h GLU 121 N 0.64 -0.77 -0.88 2.37 4.81 -0.81 -3.15 114.58 116.79 3pva h GLU 121 Ca 0.24 0.05 0.18 0.00 -0.13 0.00 0.00 59.36 59.70 3pva h GLU 121 Cb 0.07 0.17 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 3pva h GLU 121 CO -0.12 -0.51 0.58 0.87 -0.73 0.00 0.00 179.01 179.09 3pva h LYS 122 N -0.80 0.48 0.00 1.92 1.79 -0.53 -1.54 116.57 117.90 3pva h LYS 122 Ca -0.08 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 3pva h LYS 122 Cb 0.62 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 3pva h LYS 122 CO 0.11 0.32 0.00 1.28 -1.08 0.00 0.00 179.45 180.08 3pva n LEU 123 N -4.53 0.49 0.18 2.94 4.32 -0.99 -3.32 117.00 116.08 3pva n LEU 123 Ca 0.18 0.59 0.14 0.00 -0.02 0.00 0.00 56.01 56.90 3pva n LEU 123 Cb 0.61 -0.48 0.54 0.00 -1.62 0.00 0.00 43.42 42.46 3pva n LEU 123 CO 0.30 -0.33 0.90 0.71 -1.22 0.00 0.00 177.39 177.75 3pva h THR 124 N 0.00 0.00 -0.58 -5.08 1.35 -1.33 -2.39 112.91 104.87 3pva h THR 124 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3pva h THR 124 Cb 0.46 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 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 -2.53 3.69 -4.38 5.36 3.41 -1.21 -4.85 113.62 113.11 3pva n SER 125 Ca 0.02 -1.99 -0.20 0.00 -0.26 0.00 0.00 58.87 56.44 3pva n SER 125 Cb 0.28 -0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.14 1.85 -0.08 7.33 2.02 -0.90 -1.11 117.35 125.32 3pva s TYR 126 Ca 0.43 -0.54 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 3pva s TYR 126 Cb 0.23 -0.86 0.03 0.00 -0.40 0.00 0.00 41.96 40.96 3pva s TYR 126 CO 0.31 0.42 -0.00 0.99 -1.57 0.00 0.00 175.55 175.70 3pva s THR 127 N -2.89 0.41 -0.01 -0.71 2.01 -0.23 -4.80 115.64 109.42 3pva s THR 127 Ca 0.25 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 3pva s THR 127 Cb -0.01 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 3pva s THR 127 CO 0.09 0.25 1.38 -0.76 -0.69 0.00 0.00 174.62 174.89 3pva s LEU 128 N 1.96 4.31 0.22 4.42 1.02 -1.26 0.08 118.68 129.43 3pva s LEU 128 Ca 0.05 2.08 0.08 0.00 0.02 0.00 0.00 54.13 56.36 3pva s LEU 128 Cb -0.12 -3.56 -0.04 0.00 0.02 0.00 0.00 46.19 42.48 3pva s LEU 128 CO -0.05 -0.70 0.00 -0.76 0.02 0.00 0.00 176.35 174.86 3pva s LEU 129 N 2.37 3.27 -0.84 1.79 1.43 -0.65 -2.30 118.68 123.74 3pva s LEU 129 Ca 0.63 -0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 53.14 3pva s LEU 129 Cb -0.31 -1.86 -0.15 0.00 0.03 0.00 0.00 46.19 43.90 3pva s LEU 129 CO 0.26 0.04 3.06 -3.20 0.23 0.00 0.00 176.35 176.74 3pva n ASN 130 N -0.53 6.65 -4.68 2.29 2.85 -0.25 -4.34 115.26 117.25 3pva n ASN 130 Ca -0.08 -2.47 -0.38 0.00 -0.11 0.00 0.00 54.58 51.54 3pva n ASN 130 Cb 0.57 -1.40 -0.08 0.00 1.24 0.00 0.00 39.78 40.11 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 1.86 4.18 0.73 1.20 2.12 -1.26 -4.89 118.70 122.64 3pva s GLU 131 Ca 0.63 0.13 -0.12 0.00 0.36 0.00 0.00 54.97 55.97 3pva s GLU 131 Cb 0.22 -3.51 0.17 0.00 0.26 0.00 0.00 34.13 31.27 3pva s GLU 131 CO -0.03 0.03 0.94 0.00 -0.54 0.00 0.00 175.26 175.66 3pva n ALA 132 N 4.25 -1.26 -3.04 6.30 0.00 -1.26 -4.24 120.51 121.25 3pva n ALA 132 Ca -0.10 -1.24 -0.11 0.00 0.00 0.00 0.00 53.44 51.99 3pva n ALA 132 Cb 0.51 -0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 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 -4.41 -0.01 0.00 0.00 4.22 -1.24 -4.85 114.94 108.66 3pva s ASN 133 Ca 0.54 -0.21 0.19 0.00 -2.14 0.00 0.00 52.86 51.24 3pva s ASN 133 Cb -0.02 0.25 0.99 0.00 1.28 0.00 0.00 41.25 43.76 3pva s ASN 133 CO 0.38 -0.45 1.59 2.30 -2.04 0.00 0.00 177.10 178.88 3pva n ILE 134 N 1.13 0.38 -0.08 0.54 -5.35 -1.26 -0.33 119.36 114.39 3pva n ILE 134 Ca -0.21 0.09 -0.16 0.00 -0.27 0.00 0.00 62.75 62.21 3pva n ILE 134 Cb 0.57 -0.78 -0.12 0.00 -1.74 0.00 0.00 39.64 37.56 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 -3.39 117.51 122.09 3pva h ILE 135 Ca 0.00 -2.29 -0.19 0.00 -0.39 0.00 0.00 64.86 61.99 3pva h ILE 135 Cb 0.16 3.06 -0.04 0.00 -3.07 0.00 0.00 36.82 36.94 3pva h ILE 135 CO 0.00 0.53 -1.98 0.18 -0.69 0.00 0.00 178.15 176.19 3pva n LEU 136 N -4.57 0.24 0.00 1.44 4.32 -1.21 -4.98 117.00 112.25 3pva n LEU 136 Ca -0.15 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 3pva n LEU 136 Cb 0.53 0.22 0.00 0.00 -1.62 0.00 0.00 43.42 42.54 3pva n LEU 136 CO 0.30 0.23 0.00 0.61 -1.22 0.00 0.00 177.39 177.31 3pva n GLY 137 N 1.49 0.86 3.58 -0.72 0.00 0.55 -5.01 105.19 105.96 3pva n GLY 137 Ca -0.17 0.00 -0.10 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 -2.69 0.43 -0.38 1.61 -0.71 -1.24 -4.69 117.98 110.32 3pva s PHE 138 Ca 0.00 -0.79 -0.21 0.00 -1.04 0.00 0.00 56.93 54.89 3pva s PHE 138 Cb 0.00 0.18 0.01 0.00 -1.21 0.00 0.00 43.02 42.00 3pva s PHE 138 CO 0.00 -1.03 0.65 0.00 -1.34 0.00 0.00 175.22 173.51 3pva s ALA 139 N -3.85 3.42 0.45 1.99 0.00 -1.26 -3.62 121.76 118.89 3pva s ALA 139 Ca 0.23 -0.92 -0.25 0.00 0.00 0.00 0.00 51.96 51.02 3pva s ALA 139 Cb -0.01 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 3pva s ALA 139 CO 0.10 -1.47 1.40 -1.25 0.00 0.00 0.00 175.76 174.54 3pva s PRO 140 N 2.79 3.70 -0.34 0.00 0.04 -1.26 -4.95 135.00 134.98 3pva s PRO 140 Ca 0.25 2.35 -0.29 0.00 0.04 0.00 0.00 61.00 63.35 3pva s PRO 140 Cb -0.14 -2.64 0.01 0.00 0.04 0.00 0.00 34.50 31.76 3pva s PRO 140 CO 0.16 -0.78 1.32 -1.25 0.04 0.00 0.00 177.00 176.50 3pva s PRO 141 N -2.45 3.81 0.08 0.56 0.04 -1.26 -4.95 135.00 130.83 3pva s PRO 141 Ca 0.61 1.12 0.04 0.00 0.04 0.00 0.00 61.00 62.81 3pva s PRO 141 Cb -0.42 -3.92 -0.03 0.00 0.04 0.00 0.00 34.50 30.17 3pva s PRO 141 CO 0.54 -1.26 -0.10 -0.51 0.04 0.00 0.00 177.00 175.71 3pva s LEU 142 N 4.67 2.34 0.26 -3.56 1.02 -1.26 -0.13 118.68 122.02 3pva s LEU 142 Ca 0.57 -0.71 0.06 0.00 0.02 0.00 0.00 54.13 54.08 3pva s LEU 142 Cb -0.15 -0.30 -0.06 0.00 0.02 0.00 0.00 46.19 45.70 3pva s LEU 142 CO 0.26 -0.21 -0.05 -1.38 0.02 0.00 0.00 176.35 174.99 3pva s HIS 143 N -1.94 1.84 0.12 0.29 -3.43 0.14 -4.46 115.29 107.85 3pva s HIS 143 Ca -0.00 -0.74 0.07 0.00 -0.80 0.00 0.00 55.06 53.59 3pva s HIS 143 Cb -0.06 -1.04 -0.04 0.00 -1.43 0.00 0.00 32.58 30.01 3pva s HIS 143 CO 0.00 0.21 -0.18 0.71 -2.00 0.00 0.00 174.74 173.49 3pva s TYR 144 N -3.10 1.63 -0.02 0.38 2.02 -0.25 -1.43 117.35 116.57 3pva s TYR 144 Ca 0.29 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 3pva s TYR 144 Cb 0.04 -0.86 0.01 0.00 -0.40 0.00 0.00 41.96 40.74 3pva s TYR 144 CO 0.11 0.21 -0.07 -0.08 -1.57 0.00 0.00 175.55 174.15 3pva s THR 145 N -1.67 0.60 -0.01 -0.71 -1.32 -1.04 -1.35 115.64 110.13 3pva s THR 145 Ca 0.09 -0.26 0.02 0.00 -1.21 0.00 0.00 61.69 60.33 3pva s THR 145 Cb -0.08 -0.55 -0.00 0.00 -1.51 0.00 0.00 72.50 70.37 3pva s THR 145 CO 0.04 0.20 -0.07 -0.36 -2.21 0.00 0.00 174.62 172.22 3pva s PHE 146 N 0.25 0.68 -0.07 9.09 0.08 -1.07 -1.70 117.98 125.23 3pva s PHE 146 Ca -0.03 -0.14 -0.00 0.00 0.12 0.00 0.00 56.93 56.88 3pva s PHE 146 Cb -0.08 -0.46 0.02 0.00 -0.57 0.00 0.00 43.02 41.94 3pva s PHE 146 CO 0.00 -0.03 -0.04 0.99 -0.10 0.00 0.00 175.22 176.03 3pva s THR 147 N -0.04 0.66 0.97 0.64 2.01 0.12 -1.04 115.64 118.97 3pva s THR 147 Ca 0.01 -0.11 -0.12 0.00 0.31 0.00 0.00 61.69 61.78 3pva s THR 147 Cb -0.04 -0.72 0.17 0.00 0.01 0.00 0.00 72.50 71.92 3pva s THR 147 CO -0.00 0.29 1.08 -1.81 -0.69 0.00 0.00 174.62 173.49 3pva s ASP 148 N 1.47 2.76 0.35 3.53 1.01 -0.57 0.11 116.67 125.32 3pva s ASP 148 Ca -0.02 1.55 0.08 0.00 0.71 0.00 0.00 52.55 54.88 3pva s ASP 148 Cb -0.13 -2.21 0.67 0.00 1.01 0.00 0.00 42.92 42.25 3pva s ASP 148 CO -0.04 -3.10 1.84 0.00 0.21 0.00 0.00 175.17 174.09 3pva h ALA 149 N -1.87 1.37 0.00 5.23 0.00 -1.80 -0.68 119.26 121.51 3pva h ALA 149 Ca -0.52 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.09 3pva h ALA 149 Cb 1.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3pva h ALA 149 CO 0.52 0.44 -0.11 0.66 0.00 0.00 0.00 179.25 180.76 3pva h SER 150 N 0.22 0.00 0.00 0.00 4.64 -1.93 -3.41 113.55 113.07 3pva h SER 150 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3pva h SER 150 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3pva h SER 150 CO 0.04 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 3pva n GLY 151 N -0.42 0.68 3.73 -0.77 0.00 -0.26 -5.03 105.19 103.11 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 -0.93 4.58 0.05 1.61 2.12 -1.26 -4.85 118.70 120.02 3pva s GLU 152 Ca 0.00 1.28 0.09 0.00 0.36 0.00 0.00 54.97 56.70 3pva s GLU 152 Cb 0.00 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 3pva s GLU 152 CO 0.00 0.15 -0.26 -1.12 -0.54 0.00 0.00 175.26 173.50 3pva s SER 153 N 0.31 3.25 0.26 -1.70 0.01 -1.26 -1.51 113.70 113.06 3pva s SER 153 Ca 0.45 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 57.14 3pva s SER 153 Cb -0.21 -0.32 -0.05 0.00 0.21 0.00 0.00 66.02 65.64 3pva s SER 153 CO 0.26 0.25 0.09 0.27 0.41 0.00 0.00 173.24 174.53 3pva s ILE 154 N -0.83 0.60 -0.03 1.44 -4.36 -0.20 -2.45 121.20 115.36 3pva s ILE 154 Ca 0.12 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.51 3pva s ILE 154 Cb -0.10 -2.65 0.03 0.00 1.25 0.00 0.00 42.46 40.99 3pva s ILE 154 CO 0.03 0.00 0.02 -0.69 0.24 0.00 0.00 174.94 174.53 3pva s VAL 155 N -3.73 0.07 -0.16 8.37 1.01 -0.85 -2.60 120.40 122.52 3pva s VAL 155 Ca 0.38 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.53 3pva s VAL 155 Cb 0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.25 3pva s VAL 155 CO 0.14 0.14 -0.14 -0.63 0.00 0.00 0.00 175.10 174.61 3pva s ILE 156 N 1.24 2.74 -0.16 2.22 1.01 -0.46 -0.41 121.20 127.38 3pva s ILE 156 Ca -0.07 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.85 3pva s ILE 156 Cb -0.13 -2.17 0.02 0.00 0.01 0.00 0.00 42.46 40.19 3pva s ILE 156 CO -0.02 0.51 -0.16 -1.61 0.00 0.00 0.00 174.94 173.65 3pva s GLU 157 N 0.90 2.50 -1.12 2.79 2.02 0.10 -1.09 118.70 124.81 3pva s GLU 157 Ca -0.03 -0.65 -0.22 0.00 0.02 0.00 0.00 54.97 54.09 3pva s GLU 157 Cb -0.15 -2.26 0.01 0.00 0.10 0.00 0.00 34.13 31.84 3pva s GLU 157 CO -0.01 -0.23 1.72 -1.25 0.02 0.00 0.00 175.26 175.51 3pva s PRO 158 N 1.42 3.33 0.73 0.39 0.04 -1.26 0.63 135.00 140.28 3pva s PRO 158 Ca 0.05 -1.27 -0.06 0.00 0.04 0.00 0.00 61.00 59.76 3pva s PRO 158 Cb -0.13 -5.34 0.09 0.00 0.04 0.00 0.00 34.50 29.15 3pva s PRO 158 CO -0.11 -2.77 1.03 -0.51 0.04 0.00 0.00 177.00 174.68 3pva s ASP 159 N 5.56 4.56 0.27 6.66 1.01 -0.76 0.12 116.67 134.08 3pva s ASP 159 Ca 0.57 0.26 -0.04 0.00 0.71 0.00 0.00 52.55 54.05 3pva s ASP 159 Cb -0.00 -0.81 0.33 0.00 1.01 0.00 0.00 42.92 43.45 3pva s ASP 159 CO 0.02 -1.75 1.94 0.50 0.21 0.00 0.00 175.17 176.09 3pva h LYS 160 N -0.67 1.23 -0.12 8.23 3.64 -1.89 -0.03 116.57 126.97 3pva h LYS 160 Ca -0.43 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3pva h LYS 160 Cb 1.30 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3pva h LYS 160 CO 0.54 0.82 0.00 0.25 -2.27 0.00 0.00 179.45 178.78 3pva n THR 161 N -4.40 0.16 0.00 1.00 -2.24 -1.26 -5.02 114.28 102.52 3pva n THR 161 Ca 0.11 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3pva n THR 161 Cb 0.03 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 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 0.96 3.68 3.38 0.00 -0.03 -4.99 105.19 109.00 3pva n GLY 162 Ca 0.08 -2.22 -0.44 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.46 0.44 -4.33 -0.61 2.08 -1.26 -1.84 119.36 113.39 3pva n ILE 163 Ca 0.00 -0.08 -0.34 0.00 0.56 0.00 0.00 62.75 62.89 3pva n ILE 163 Cb 0.00 -2.06 -0.11 0.00 -0.75 0.00 0.00 39.64 36.72 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 3.10 4.22 -0.11 1.39 2.01 0.21 -4.91 115.64 121.55 3pva s THR 164 Ca 0.85 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.61 3pva s THR 164 Cb -0.53 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.14 3pva s THR 164 CO 0.41 0.54 -0.17 -0.63 -0.69 0.00 0.00 174.62 174.08 3pva s ILE 165 N -0.19 2.74 -0.21 1.82 -1.09 -1.26 0.02 121.20 123.04 3pva s ILE 165 Ca 0.05 -0.78 -0.02 0.00 -2.23 0.00 0.00 60.65 57.67 3pva s ILE 165 Cb -0.13 -2.11 0.01 0.00 -1.58 0.00 0.00 42.46 38.65 3pva s ILE 165 CO 0.02 0.54 -0.10 -1.00 -1.23 0.00 0.00 174.94 173.17 3pva s HIS 166 N 0.19 2.91 0.09 3.97 3.76 0.46 -4.98 115.29 121.70 3pva s HIS 166 Ca -0.10 -1.30 -0.03 0.00 -0.15 0.00 0.00 55.06 53.48 3pva s HIS 166 Cb -0.16 -2.03 -0.05 0.00 1.11 0.00 0.00 32.58 31.45 3pva s HIS 166 CO 0.06 -0.67 0.30 1.03 -0.85 0.00 0.00 174.74 174.61 3pva s ARG 167 N 1.38 3.55 -0.23 1.40 0.52 -1.26 -2.00 118.95 122.31 3pva s ARG 167 Ca 0.04 -0.21 -0.11 0.00 -0.52 0.00 0.00 55.73 54.94 3pva s ARG 167 Cb -0.14 -2.95 0.02 0.00 0.52 0.00 0.00 34.95 32.39 3pva s ARG 167 CO -0.07 0.54 0.26 0.36 0.02 0.00 0.00 175.30 176.42 3pva n LYS 168 N 0.32 -0.73 -0.40 3.54 2.85 -1.03 -4.95 118.16 117.76 3pva n LYS 168 Ca -0.05 0.48 -0.01 0.00 -1.05 0.00 0.00 58.31 57.69 3pva n LYS 168 Cb 0.52 -0.84 0.00 0.00 -0.65 0.00 0.00 35.03 34.07 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 -0.50 0.00 1.47 0.58 -2.24 -1.10 -4.99 114.28 107.50 3pva n THR 169 Ca -0.07 -0.04 0.15 0.00 -2.27 0.00 0.00 64.05 61.82 3pva n THR 169 Cb 0.28 -1.65 0.74 0.00 -2.10 0.00 0.00 70.33 67.61 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 -1.71 0.00 -2.10 2.28 -5.35 -1.26 -4.80 119.36 106.42 3pva n ILE 170 Ca 0.00 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 3pva n ILE 170 Cb 0.02 -0.40 0.00 0.00 -1.74 0.00 0.00 39.64 37.51 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 1.26 0.64 2.94 3.28 0.00 -1.26 -4.91 105.19 107.15 3pva n GLY 171 Ca 0.15 -0.77 -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 -2.37 0.32 -0.29 1.61 1.01 -1.26 -1.16 120.40 118.26 3pva s VAL 172 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.61 3pva s VAL 172 Cb 0.00 -0.28 0.12 0.00 0.00 0.00 0.00 36.38 36.22 3pva s VAL 172 CO 0.00 0.06 0.83 -0.32 0.00 0.00 0.00 175.10 175.67 3pva s MET 173 N -0.18 0.52 0.00 2.72 1.75 0.61 -4.98 119.30 119.75 3pva s MET 173 Ca 0.01 0.97 0.00 0.00 -1.25 0.00 0.00 55.69 55.42 3pva s MET 173 Cb -0.02 0.22 0.00 0.00 2.84 0.00 0.00 34.83 37.87 3pva s MET 173 CO -0.00 -0.12 0.00 0.25 -0.65 0.00 0.00 175.02 174.50 3pva n THR 174 N 4.25 0.00 -2.56 10.11 -2.24 -1.26 0.05 114.28 122.62 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 1.14 -4.74 3.42 4.13 -1.26 -4.69 115.26 113.27 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 0.10 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 0.97 4.16 0.00 6.41 0.01 -1.26 -4.74 113.70 119.24 3pva s SER 176 Ca 0.00 1.98 0.00 0.00 1.31 0.00 0.00 55.95 59.24 3pva s SER 176 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 3pva s SER 176 CO 0.00 -2.27 0.00 -0.81 0.41 0.00 0.00 173.24 170.57 3pva n PRO 177 N -3.49 2.60 -1.41 12.44 -0.04 -1.26 -4.38 135.00 139.46 3pva n PRO 177 Ca 0.10 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.24 3pva n PRO 177 Cb 0.52 0.00 0.08 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 -0.11 1.92 0.17 0.55 0.00 -1.26 -4.84 107.32 103.75 3pva s GLY 178 Ca 0.00 0.46 -0.15 0.00 0.00 0.00 0.00 44.72 45.02 3pva s GLY 178 CO 0.00 0.82 1.71 -1.82 0.00 0.00 0.00 173.10 173.81 3pva h TYR 179 N -0.69 0.04 -0.81 1.90 5.03 -1.99 -0.86 116.97 119.58 3pva h TYR 179 Ca -0.45 0.03 0.10 0.00 2.58 0.00 0.00 58.73 60.99 3pva h TYR 179 Cb 1.25 0.05 -0.06 0.00 1.55 0.00 0.00 36.73 39.52 3pva h TYR 179 CO 0.55 -0.05 0.53 1.49 -1.32 0.00 0.00 178.16 179.36 3pva h GLU 180 N 0.14 0.71 0.20 1.82 4.57 -1.99 -1.16 114.58 118.86 3pva h GLU 180 Ca 0.20 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 3pva h GLU 180 Cb 0.27 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3pva h GLU 180 CO -0.31 0.47 -0.12 2.35 -1.18 0.00 0.00 179.01 180.22 3pva h TRP 181 N 0.73 -0.30 -0.60 0.92 7.01 -1.52 -1.76 115.95 120.43 3pva h TRP 181 Ca 0.38 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.39 3pva h TRP 181 Cb 0.48 0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.62 3pva h TRP 181 CO -0.00 -0.19 0.39 0.45 -2.79 0.00 0.00 178.44 176.30 3pva h HIS 182 N -0.30 0.74 -0.87 2.65 3.86 -1.06 -0.84 115.15 119.33 3pva h HIS 182 Ca -0.02 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3pva h HIS 182 Cb 0.25 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 3pva h HIS 182 CO -0.08 0.46 0.57 0.37 0.86 0.00 0.00 177.93 180.10 3pva h GLN 183 N 0.79 1.14 -0.26 2.45 4.15 -1.13 -2.00 115.11 120.26 3pva h GLN 183 Ca 0.22 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.47 3pva h GLN 183 Cb -0.07 -0.26 -0.00 0.00 0.21 0.00 0.00 27.48 27.36 3pva h GLN 183 CO -0.06 0.76 -0.21 1.15 -1.93 0.00 0.00 178.83 178.54 3pva h THR 184 N 1.18 1.31 -0.86 2.39 2.02 -0.89 -3.17 112.91 114.89 3pva h THR 184 Ca 0.32 -1.36 0.18 0.00 0.77 0.00 0.00 66.41 66.31 3pva h THR 184 Cb -0.12 1.61 -0.11 0.00 -1.74 0.00 0.00 68.15 67.79 3pva h THR 184 CO -0.07 0.43 0.40 -1.13 0.37 0.00 0.00 175.52 175.52 3pva h ASN 185 N 0.32 0.41 -0.99 4.18 -0.00 -0.44 -2.11 115.58 116.96 3pva h ASN 185 Ca 0.05 0.12 0.18 0.00 -0.00 0.00 0.00 56.30 56.65 3pva h ASN 185 Cb 0.76 0.07 -0.18 0.00 -0.00 0.00 0.00 38.32 38.97 3pva h ASN 185 CO 0.06 0.11 -0.29 0.18 -0.00 0.00 0.00 177.43 177.49 3pva n LEU 186 N -4.96 -0.45 0.15 0.34 4.77 -0.93 -1.02 117.00 114.91 3pva n LEU 186 Ca 0.19 1.70 0.18 0.00 -0.03 0.00 0.00 56.01 58.05 3pva n LEU 186 Cb 0.52 -0.47 0.69 0.00 -2.33 0.00 0.00 43.42 41.83 3pva n LEU 186 CO 0.17 -1.60 1.16 0.03 -1.33 0.00 0.00 177.39 175.82 3pva h ARG 187 N 0.00 0.00 0.00 3.23 3.08 -1.55 0.12 114.38 119.26 3pva h ARG 187 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 3pva h ARG 187 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3pva h ARG 187 CO -1.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 177.90 3pva n ALA 188 N -2.13 2.20 -0.12 0.04 0.00 -0.19 -3.88 120.51 116.43 3pva n ALA 188 Ca 0.05 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.52 3pva n ALA 188 Cb 0.66 -1.46 0.10 0.00 0.00 0.00 0.00 19.45 18.76 3pva n ALA 188 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3pva n TYR 189 N -2.20 0.31 0.24 0.00 4.02 0.42 -4.70 117.16 115.26 3pva n TYR 189 Ca 0.05 -0.50 0.13 0.00 -0.01 0.00 0.00 57.90 57.57 3pva n TYR 189 Cb 0.40 -0.04 0.68 0.00 -0.02 0.00 0.00 39.34 40.36 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 1.33 0.00 -0.00 -0.72 3.07 -1.65 -0.36 117.51 119.19 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 0.65 0.55 0.00 0.00 -0.27 0.00 0.00 36.82 37.76 3pva h ILE 190 CO 0.00 0.00 -0.07 0.61 -1.05 0.00 0.00 178.15 177.64 3pva n GLY 191 N -1.24 -1.03 3.58 0.16 0.00 -1.26 -4.68 105.19 100.72 3pva n GLY 191 Ca -0.02 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.45 3.87 0.30 1.61 1.01 -0.15 -4.81 120.40 119.79 3pva s VAL 192 Ca 0.31 0.76 0.03 0.00 0.00 0.00 0.00 61.98 63.07 3pva s VAL 192 Cb 0.20 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3pva s VAL 192 CO 0.46 -1.23 0.13 0.42 0.00 0.00 0.00 175.10 174.88 3pva s THR 193 N 5.62 0.46 0.25 3.92 -4.23 -0.27 -4.93 115.64 116.46 3pva s THR 193 Ca 0.49 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.23 3pva s THR 193 Cb -0.10 -2.55 0.22 0.00 1.34 0.00 0.00 72.50 71.41 3pva s THR 193 CO 0.25 0.00 1.88 -0.65 -0.54 0.00 0.00 174.62 175.57 3pva h PRO 194 N 2.23 0.00 -6.24 3.99 0.11 -1.94 -3.18 132.00 126.97 3pva h PRO 194 Ca -0.35 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.19 3pva h PRO 194 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 3pva h PRO 194 CO 0.56 0.24 0.03 -0.80 -0.21 0.00 0.00 178.00 177.81 3pva s ASN 195 N -6.30 7.11 0.44 -2.05 -0.87 -1.26 -4.62 114.94 107.39 3pva s ASN 195 Ca -0.01 1.31 -0.24 0.00 -1.57 0.00 0.00 52.86 52.35 3pva s ASN 195 Cb 0.12 -2.39 -0.08 0.00 -0.02 0.00 0.00 41.25 38.87 3pva s ASN 195 CO 0.64 0.19 1.21 -2.16 -2.57 0.00 0.00 177.10 174.41 3pva s PRO 196 N -0.75 3.85 0.54 -0.60 0.04 -1.26 -3.68 135.00 133.13 3pva s PRO 196 Ca 0.32 1.91 -0.20 0.00 0.04 0.00 0.00 61.00 63.07 3pva s PRO 196 Cb -0.20 -2.56 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 3pva s PRO 196 CO 0.20 -0.52 1.18 -1.25 0.04 0.00 0.00 177.00 176.66 3pva s PRO 197 N -2.49 3.29 0.64 0.56 0.04 -1.26 -4.93 135.00 130.85 3pva s PRO 197 Ca 0.61 1.77 -0.17 0.00 0.04 0.00 0.00 61.00 63.25 3pva s PRO 197 Cb -0.32 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 3pva s PRO 197 CO 0.40 -0.93 1.16 -0.65 0.04 0.00 0.00 177.00 177.02 3pva s GLN 198 N -3.14 2.77 0.49 4.56 -0.21 -1.26 -4.92 119.66 117.94 3pva s GLN 198 Ca 0.72 1.64 -0.21 0.00 0.02 0.00 0.00 55.36 57.53 3pva s GLN 198 Cb -0.29 -1.92 -0.08 0.00 1.00 0.00 0.00 33.01 31.73 3pva s GLN 198 CO 0.32 -1.32 1.09 -0.51 -2.12 0.00 0.00 175.29 172.75 3pva s ASP 199 N -2.03 6.19 0.39 5.90 1.01 -1.26 -5.01 116.67 121.85 3pva s ASP 199 Ca 0.73 2.09 0.02 0.00 0.71 0.00 0.00 52.55 56.10 3pva s ASP 199 Cb -0.26 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.08 3pva s ASP 199 CO 0.38 -0.89 0.08 2.30 0.21 0.00 0.00 175.17 177.25 3pva n ILE 200 N -0.84 0.00 -4.15 0.77 -5.35 -0.98 -5.01 119.36 103.80 3pva n ILE 200 Ca 0.09 -2.12 -0.14 0.00 -0.27 0.00 0.00 62.75 60.31 3pva n ILE 200 Cb 0.51 0.64 -0.11 0.00 -1.74 0.00 0.00 39.64 38.94 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 -3.47 0.76 -0.36 6.28 -1.94 -1.26 -1.90 119.30 117.41 3pva s MET 201 Ca 0.12 -1.06 0.00 0.00 -1.71 0.00 0.00 55.69 53.04 3pva s MET 201 Cb 0.01 -0.46 0.12 0.00 2.01 0.00 0.00 34.83 36.51 3pva s MET 201 CO 0.08 0.07 0.17 -1.64 -0.01 0.00 0.00 175.02 173.69 3pva s MET 202 N -2.51 0.86 7.94 2.03 -1.94 -0.46 -4.96 119.30 120.26 3pva s MET 202 Ca 0.02 -1.42 0.00 0.00 -1.71 0.00 0.00 55.69 52.57 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 -0.00 -1.09 0.00 0.41 -0.01 0.00 0.00 175.02 174.33 3pva n GLY 203 N 4.26 3.26 0.83 -0.03 0.00 -1.26 -0.96 105.19 111.28 3pva n GLY 203 Ca 0.04 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 8.82 2.56 -4.69 1.61 8.00 -1.26 -4.93 116.55 126.66 3pva n ASP 204 Ca 0.00 -1.84 -0.41 0.00 0.71 0.00 0.00 54.79 53.24 3pva n ASP 204 Cb 0.00 -0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.90 4.27 -0.16 0.64 0.20 -0.14 -5.03 118.68 116.56 3pva s LEU 205 Ca 0.33 1.38 -0.23 0.00 0.69 0.00 0.00 54.13 56.29 3pva s LEU 205 Cb 0.20 -3.35 -0.02 0.00 -0.43 0.00 0.00 46.19 42.59 3pva s LEU 205 CO 0.31 -0.31 0.71 -1.81 -0.29 0.00 0.00 176.35 174.96 3pva s ASP 206 N 1.02 6.84 -0.21 3.68 1.01 -1.26 -1.36 116.67 126.39 3pva s ASP 206 Ca 0.44 1.02 -0.03 0.00 0.71 0.00 0.00 52.55 54.69 3pva s ASP 206 Cb -0.18 -2.40 -0.00 0.00 1.01 0.00 0.00 42.92 41.35 3pva s ASP 206 CO 0.19 -0.28 -0.08 -0.76 0.21 0.00 0.00 175.17 174.45 3pva s LEU 207 N 1.76 2.72 0.08 1.23 1.43 -0.80 -5.00 118.68 120.11 3pva s LEU 207 Ca 0.34 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 3pva s LEU 207 Cb -0.16 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 3pva s LEU 207 CO 0.12 -0.01 -0.10 0.28 0.23 0.00 0.00 176.35 176.87 3pva s THR 208 N 1.40 0.89 0.72 5.49 -1.32 -1.26 -2.32 115.64 119.24 3pva s THR 208 Ca 0.05 -1.48 -0.16 0.00 -1.21 0.00 0.00 61.69 58.89 3pva s THR 208 Cb -0.14 -1.17 0.02 0.00 -1.51 0.00 0.00 72.50 69.69 3pva s THR 208 CO -0.05 -0.47 1.07 -2.65 -2.21 0.00 0.00 174.62 170.31 3pva n PRO 209 N 0.84 0.57 0.05 7.08 -0.02 -1.26 -4.92 135.00 137.34 3pva n PRO 209 Ca -0.18 0.25 0.03 0.00 -2.02 0.00 0.00 63.50 61.59 3pva n PRO 209 Cb 0.57 -2.32 0.42 0.00 -0.02 0.00 0.00 33.50 32.15 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 -0.22 0.42 0.00 6.00 0.04 -2.04 -3.47 116.94 117.68 3pva h PHE 210 Ca -0.48 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.29 3pva h PHE 210 Cb 1.33 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.34 3pva h PHE 210 CO 0.41 0.33 0.00 0.41 -0.60 0.00 0.00 178.31 178.86 3pva n GLY 211 N -1.30 0.08 3.90 -1.45 0.00 -1.26 -5.16 105.19 100.00 3pva n GLY 211 Ca 0.02 0.52 -0.26 0.00 0.00 0.00 0.00 46.02 46.29 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 2.20 2.26 0.00 1.61 2.00 -1.26 -4.84 119.66 121.62 3pva s GLN 212 Ca 0.00 -2.01 0.00 0.00 -2.00 0.00 0.00 55.36 51.35 3pva s GLN 212 Cb 0.00 -2.10 0.00 0.00 0.80 0.00 0.00 33.01 31.71 3pva s GLN 212 CO 0.00 -0.61 0.00 0.41 -0.50 0.00 0.00 175.29 174.59 3pva n GLY 213 N -1.75 2.67 0.00 2.59 0.00 -1.26 -4.96 105.19 102.48 3pva n GLY 213 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.24 1.25 0.27 4.61 0.00 -1.26 -2.43 120.51 121.72 3pva n ALA 214 Ca 0.00 -0.02 0.16 0.00 0.00 0.00 0.00 53.44 53.58 3pva n ALA 214 Cb 0.00 -1.07 0.71 0.00 0.00 0.00 0.00 19.45 19.09 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 0.73 0.00 0.80 0.00 0.00 -1.70 -2.73 103.07 100.17 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 -0.06 0.61 0.00 0.00 0.00 176.54 177.09 3pva n GLY 216 N -0.15 -0.86 3.65 4.60 0.00 -1.02 -1.12 105.19 110.29 3pva n GLY 216 Ca -0.00 -0.26 -0.59 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 -0.84 1.98 0.00 0.99 7.94 -1.03 -1.73 117.00 124.31 3pva n LEU 217 Ca 0.17 0.98 0.00 0.00 -1.11 0.00 0.00 56.01 56.06 3pva n LEU 217 Cb 0.24 -1.08 0.00 0.00 0.53 0.00 0.00 43.42 43.11 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 4.76 2.98 3.72 -3.96 0.00 -1.26 -4.70 105.19 106.72 3pva n GLY 218 Ca 0.32 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 0.38 0.99 0.20 -0.71 -4.98 118.68 118.93 3pva s LEU 219 Ca 0.00 2.59 -0.25 0.00 0.69 0.00 0.00 54.13 57.16 3pva s LEU 219 Cb 0.00 -3.60 -0.09 0.00 -0.43 0.00 0.00 46.19 42.07 3pva s LEU 219 CO 0.00 -0.79 1.02 -2.16 -0.29 0.00 0.00 176.35 174.13 3pva s PRO 220 N 0.97 4.29 0.00 0.98 0.04 -1.26 -4.98 135.00 135.03 3pva s PRO 220 Ca 0.68 1.47 0.19 0.00 0.04 0.00 0.00 61.00 63.38 3pva s PRO 220 Cb -0.43 -2.61 0.07 0.00 0.04 0.00 0.00 34.50 31.57 3pva s PRO 220 CO 0.32 -0.02 1.02 0.41 0.04 0.00 0.00 177.00 178.77 3pva n GLY 221 N 0.38 0.24 3.74 0.56 0.00 -1.26 -4.91 105.19 103.94 3pva n GLY 221 Ca 0.04 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.87 2.99 -0.24 1.61 1.47 -1.26 -4.98 116.67 114.39 3pva s ASP 222 Ca 0.19 1.00 0.14 0.00 1.18 0.00 0.00 52.55 55.06 3pva s ASP 222 Cb 0.15 -1.59 0.78 0.00 -0.34 0.00 0.00 42.92 41.93 3pva s ASP 222 CO 0.36 -2.88 1.71 0.49 0.68 0.00 0.00 175.17 175.53 3pva n PHE 223 N -3.99 1.96 -1.42 2.11 3.72 -1.26 -4.35 117.46 114.23 3pva n PHE 223 Ca 0.06 -0.78 -0.32 0.00 -0.05 0.00 0.00 57.45 56.35 3pva n PHE 223 Cb 0.59 -0.50 0.08 0.00 -0.94 0.00 0.00 39.48 38.71 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 -2.80 2.91 0.20 4.37 -4.23 -1.26 -4.75 115.64 110.08 3pva s THR 224 Ca 0.53 0.38 -0.10 0.00 -1.18 0.00 0.00 61.69 61.32 3pva s THR 224 Cb 0.41 -2.83 0.13 0.00 1.34 0.00 0.00 72.50 71.55 3pva s THR 224 CO 0.15 -0.31 1.79 -0.65 -0.54 0.00 0.00 174.62 175.06 3pva h PRO 225 N -0.59 0.56 -0.17 3.99 0.11 -1.93 0.13 132.00 134.09 3pva h PRO 225 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3pva h PRO 225 Cb 1.26 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3pva h PRO 225 CO 0.51 0.37 0.05 0.66 -0.21 0.00 0.00 178.00 179.37 3pva h SER 226 N 0.57 0.25 0.32 -2.05 4.64 -1.91 0.20 113.55 115.58 3pva h SER 226 Ca 0.29 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 3pva h SER 226 Cb 0.24 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3pva h SER 226 CO -0.21 0.40 -0.21 0.00 -0.87 0.00 0.00 176.83 175.94 3pva h ALA 227 N 0.86 -0.51 -0.98 5.18 0.00 -1.75 -2.14 119.26 119.92 3pva h ALA 227 Ca 0.05 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.03 3pva h ALA 227 Cb 0.24 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 3pva h ALA 227 CO -0.00 -0.80 0.59 0.00 0.00 0.00 0.00 179.25 179.04 3pva h ARG 228 N -0.53 0.80 0.19 0.00 3.08 -0.57 -1.21 114.38 116.15 3pva h ARG 228 Ca -0.03 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.98 3pva h ARG 228 Cb 0.44 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 3pva h ARG 228 CO 0.02 0.53 -0.49 0.35 -1.07 0.00 0.00 179.97 179.31 3pva h PHE 229 N 0.83 -1.40 -0.54 3.04 3.04 0.03 -0.65 116.94 121.30 3pva h PHE 229 Ca 0.53 0.03 0.11 0.00 3.98 0.00 0.00 57.97 62.62 3pva h PHE 229 Cb 0.72 0.59 -0.10 0.00 2.56 0.00 0.00 35.95 39.72 3pva h PHE 229 CO -0.02 -0.59 -0.09 -0.07 -2.02 0.00 0.00 178.31 175.53 3pva h LEU 230 N -0.77 -0.41 -0.66 0.59 4.07 -0.92 -0.40 115.31 116.81 3pva h LEU 230 Ca -0.01 0.15 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 3pva h LEU 230 Cb 0.76 0.30 -0.03 0.00 1.08 0.00 0.00 40.66 42.77 3pva h LEU 230 CO -0.23 -0.15 0.32 0.03 -1.08 0.00 0.00 178.44 177.33 3pva h ARG 231 N 0.04 0.95 -0.32 1.13 3.08 -0.87 0.79 114.38 119.17 3pva h ARG 231 Ca 0.27 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 60.04 3pva h ARG 231 Cb 0.41 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3pva h ARG 231 CO -0.52 0.75 -0.36 0.28 -1.07 0.00 0.00 179.97 179.05 3pva h VAL 232 N 0.92 1.29 0.45 2.04 2.07 -0.67 -2.61 116.25 119.74 3pva h VAL 232 Ca 0.23 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 3pva h VAL 232 Cb 0.11 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3pva h VAL 232 CO -0.03 0.50 -0.22 0.00 0.02 0.00 0.00 177.57 177.84 3pva h ALA 233 N 0.72 -0.61 -0.14 1.67 0.00 -0.75 0.21 119.26 120.37 3pva h ALA 233 Ca 0.05 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3pva h ALA 233 Cb 0.94 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3pva h ALA 233 CO 0.09 -0.73 0.06 1.88 0.00 0.00 0.00 179.25 180.54 3pva h TYR 234 N -0.83 0.11 0.00 0.00 0.05 -0.94 0.35 116.97 115.72 3pva h TYR 234 Ca -0.06 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.67 3pva h TYR 234 Cb 0.56 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 3pva h TYR 234 CO -0.00 0.06 -0.26 -1.49 -1.05 0.00 0.00 178.16 175.43 3pva h TRP 235 N 0.14 0.00 -0.57 4.88 -0.00 -1.52 -1.41 115.95 117.47 3pva h TRP 235 Ca 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.90 3pva h TRP 235 Cb 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.15 3pva h TRP 235 CO -0.09 0.26 0.17 -0.22 -0.00 0.00 0.00 178.44 178.55 3pva h LYS 236 N 0.00 0.90 -0.39 0.49 3.64 0.35 0.14 116.57 121.69 3pva h LYS 236 Ca -0.00 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3pva h LYS 236 Cb 0.46 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 3pva h LYS 236 CO 0.03 0.82 0.24 -0.22 -2.27 0.00 0.00 179.45 178.05 3pva h LYS 237 N 0.81 0.53 0.00 1.90 3.64 -0.30 -3.34 116.57 119.80 3pva h LYS 237 Ca 0.18 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3pva h LYS 237 Cb 0.30 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3pva h LYS 237 CO -0.00 0.39 -1.34 0.66 -2.27 0.00 0.00 179.45 176.88 3pva n TYR 238 N -4.78 0.36 -2.28 1.91 4.01 -0.59 -4.93 117.16 110.86 3pva n TYR 238 Ca 0.00 0.10 -0.34 0.00 -0.16 0.00 0.00 57.90 57.51 3pva n TYR 238 Cb 0.05 -0.58 -0.01 0.00 -0.31 0.00 0.00 39.34 38.49 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 -3.34 3.71 0.53 -0.72 -4.23 0.45 -4.96 115.64 107.08 3pva s THR 239 Ca -0.01 0.95 -0.21 0.00 -1.18 0.00 0.00 61.69 61.23 3pva s THR 239 Cb 0.13 -3.39 -0.06 0.00 1.34 0.00 0.00 72.50 70.51 3pva s THR 239 CO 0.84 -0.35 1.15 -0.62 -0.54 0.00 0.00 174.62 175.10 3pva n GLU 240 N -1.50 1.36 -1.82 3.99 1.02 -1.26 -4.94 120.64 117.50 3pva n GLU 240 Ca 0.09 0.50 -0.41 0.00 -0.02 0.00 0.00 57.16 57.32 3pva n GLU 240 Cb 0.52 -2.32 -0.01 0.00 -0.02 0.00 0.00 31.44 29.61 3pva n GLU 240 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3pva s LYS 241 N -2.63 4.14 0.02 3.49 1.02 -1.26 -4.94 119.74 119.59 3pva s LYS 241 Ca 0.71 2.53 -0.30 0.00 0.02 0.00 0.00 55.97 58.93 3pva s LYS 241 Cb -0.45 -3.03 -0.06 0.00 -0.52 0.00 0.00 37.83 33.78 3pva s LYS 241 CO 0.50 -0.58 1.35 0.00 -0.92 0.00 0.00 175.35 175.70 3pva s ALA 242 N -0.18 3.55 -0.42 5.17 0.00 -1.26 -4.91 121.76 123.70 3pva s ALA 242 Ca 0.61 0.88 0.23 0.00 0.00 0.00 0.00 51.96 53.69 3pva s ALA 242 Cb -0.47 -3.56 0.36 0.00 0.00 0.00 0.00 23.12 19.46 3pva s ALA 242 CO 0.49 -0.79 1.62 0.87 0.00 0.00 0.00 175.76 177.96 3pva h LYS 243 N 7.49 0.00 0.00 0.00 1.57 -1.92 0.24 116.57 123.96 3pva h LYS 243 Ca -0.39 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 3pva h LYS 243 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3pva h LYS 243 CO 0.88 0.00 0.01 0.27 -0.57 0.00 0.00 179.45 180.05 3pva n ASN 244 N -3.10 -0.42 -0.04 0.86 0.23 -1.26 -3.77 115.26 107.76 3pva n ASN 244 Ca 0.04 -1.41 -0.08 0.00 -0.53 0.00 0.00 54.58 52.59 3pva n ASN 244 Cb 0.53 0.74 0.08 0.00 -2.08 0.00 0.00 39.78 39.04 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 0.66 -0.36 -3.83 4.81 -1.97 -2.36 114.58 111.53 3pva h GLU 245 Ca -0.07 -0.33 -0.16 0.00 -0.13 0.00 0.00 59.36 58.67 3pva h GLU 245 Cb 0.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3pva h GLU 245 CO 0.09 0.94 -0.40 1.15 -0.73 0.00 0.00 179.01 180.06 3pva h THR 246 N 0.55 1.28 -0.63 0.32 2.02 -1.99 0.81 112.91 115.27 3pva h THR 246 Ca 0.05 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.66 3pva h THR 246 Cb 0.90 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 3pva h THR 246 CO 0.08 0.52 0.39 -0.33 0.37 0.00 0.00 175.52 176.56 3pva h GLU 247 N 0.71 0.84 -0.26 6.66 5.08 -1.96 -1.26 114.58 124.40 3pva h GLU 247 Ca 0.06 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3pva h GLU 247 Cb 0.98 -0.18 -0.08 0.00 0.50 0.00 0.00 28.75 29.97 3pva h GLU 247 CO 0.09 0.58 -0.37 0.78 -1.00 0.00 0.00 179.01 179.10 3pva h GLY 248 N 0.85 -0.47 1.02 -3.84 0.00 -1.03 1.11 103.07 100.70 3pva h GLY 248 Ca 0.23 0.46 -0.01 0.00 0.00 0.00 0.00 47.33 48.01 3pva h GLY 248 CO -0.05 -0.21 0.55 -2.08 0.00 0.00 0.00 176.54 174.75 3pva h VAL 249 N -0.37 1.25 0.00 4.60 2.07 -0.36 -0.52 116.25 122.93 3pva h VAL 249 Ca 0.12 -0.56 -0.20 0.00 0.82 0.00 0.00 66.70 66.88 3pva h VAL 249 Cb 0.57 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3pva h VAL 249 CO -0.46 0.27 -0.93 0.71 0.02 0.00 0.00 177.57 177.18 3pva h THR 250 N 1.27 1.60 -0.49 2.57 1.35 -0.04 -2.44 112.91 116.74 3pva h THR 250 Ca 0.33 -3.27 -0.07 0.00 -0.55 0.00 0.00 66.41 62.86 3pva h THR 250 Cb -0.04 2.79 -0.02 0.00 -1.73 0.00 0.00 68.15 69.15 3pva h THR 250 CO -0.06 0.91 0.04 0.78 -0.25 0.00 0.00 175.52 176.95 3pva h ASN 251 N 0.00 0.81 -0.79 5.36 -0.26 0.13 -1.83 115.58 119.00 3pva h ASN 251 Ca -0.01 -0.28 -0.01 0.00 -0.56 0.00 0.00 56.30 55.44 3pva h ASN 251 Cb 1.72 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 38.72 3pva h ASN 251 CO 0.12 0.89 0.45 -0.07 -1.06 0.00 0.00 177.43 177.76 3pva h LEU 252 N 0.70 0.98 -0.49 1.61 3.38 -0.96 -0.86 115.31 119.67 3pva h LEU 252 Ca 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3pva h LEU 252 Cb 0.45 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3pva h LEU 252 CO 0.02 0.78 0.00 -0.26 0.09 0.00 0.00 178.44 179.06 3pva h PHE 253 N 1.11 0.00 0.17 1.13 0.04 -1.33 -2.69 116.94 115.38 3pva h PHE 253 Ca 0.29 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.81 3pva h PHE 253 Cb -0.00 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.18 3pva h PHE 253 CO 0.01 0.00 -1.07 0.45 -0.60 0.00 0.00 178.31 177.09 3pva h HIS 254 N 0.00 0.75 0.13 -0.55 3.86 -0.38 -2.72 115.15 116.23 3pva h HIS 254 Ca 0.00 -0.53 -0.01 0.00 -1.16 0.00 0.00 60.37 58.67 3pva h HIS 254 Cb 0.83 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.27 3pva h HIS 254 CO 0.00 1.41 -0.06 0.82 0.86 0.00 0.00 177.93 180.95 3pva h ILE 255 N -0.12 0.91 0.00 2.45 2.04 -1.21 -2.77 117.51 118.80 3pva h ILE 255 Ca -0.18 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3pva h ILE 255 Cb 1.84 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 3pva h ILE 255 CO 0.20 0.03 0.00 0.18 0.00 0.00 0.00 178.15 178.56 3pva n LEU 256 N -5.14 0.00 0.22 1.44 4.77 -1.02 -1.95 117.00 115.33 3pva n LEU 256 Ca -0.08 0.42 0.12 0.00 -0.03 0.00 0.00 56.01 56.43 3pva n LEU 256 Cb 0.12 -0.42 0.18 0.00 -2.33 0.00 0.00 43.42 40.97 3pva n LEU 256 CO 0.34 -0.30 0.81 0.77 -1.33 0.00 0.00 177.39 177.68 3pva h SER 257 N 0.00 0.00 0.78 -1.43 4.64 -1.17 -2.54 113.55 113.83 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 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3pva h SER 257 CO 0.00 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 174.43 3pva n SER 258 N -3.10 0.34 -0.69 4.97 3.41 -0.82 -2.80 113.62 114.93 3pva n SER 258 Ca 0.04 0.57 0.06 0.00 -0.26 0.00 0.00 58.87 59.27 3pva n SER 258 Cb 0.53 -0.65 0.13 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.86 1.45 -3.10 -3.33 0.24 -0.97 -5.03 118.33 105.72 3pva n VAL 259 Ca 0.04 -2.25 -0.42 0.00 -2.04 0.00 0.00 64.34 59.67 3pva n VAL 259 Cb 0.25 0.11 -0.07 0.00 -1.47 0.00 0.00 33.84 32.66 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 -2.68 6.40 -0.41 -1.34 2.47 -1.11 -4.95 114.94 113.32 3pva s ASN 260 Ca 0.32 0.00 -0.25 0.00 0.42 0.00 0.00 52.86 53.35 3pva s ASN 260 Cb 0.32 -2.33 0.02 0.00 -1.45 0.00 0.00 41.25 37.81 3pva s ASN 260 CO -0.07 -0.66 0.92 -0.63 -3.72 0.00 0.00 177.10 172.94 3pva s ILE 261 N 2.77 4.54 0.31 -5.21 1.01 -1.26 -4.97 121.20 118.39 3pva s ILE 261 Ca 0.24 0.99 -0.29 0.00 0.00 0.00 0.00 60.65 61.59 3pva s ILE 261 Cb -0.14 -4.37 -0.10 0.00 0.01 0.00 0.00 42.46 37.86 3pva s ILE 261 CO 0.16 -0.66 1.30 -2.84 0.00 0.00 0.00 174.94 172.90 3pva s PRO 262 N 3.57 4.38 0.15 2.79 0.02 -1.26 -2.56 135.00 142.09 3pva s PRO 262 Ca 0.37 2.17 -0.34 0.00 0.02 0.00 0.00 61.00 63.22 3pva s PRO 262 Cb -0.11 -3.09 -0.15 0.00 0.02 0.00 0.00 34.50 31.17 3pva s PRO 262 CO 0.22 -0.17 1.48 1.63 -0.33 0.00 0.00 177.00 179.83 3pva n LYS 263 N 1.08 1.81 0.00 5.54 5.02 -1.26 -2.35 118.16 128.01 3pva n LYS 263 Ca 0.01 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 3pva n LYS 263 Cb 0.42 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 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 2.99 3.31 0.15 0.72 0.00 -1.26 -4.92 105.19 106.18 3pva n GLY 264 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 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 0.66 -3.31 1.61 -1.51 -1.79 -3.43 116.25 108.47 3pva h VAL 265 Ca 0.00 -1.94 -0.63 0.00 -1.23 0.00 0.00 66.70 62.91 3pva h VAL 265 Cb 0.00 2.31 -0.34 0.00 -2.13 0.00 0.00 31.29 31.13 3pva h VAL 265 CO 0.00 0.37 -0.86 -0.69 -1.23 0.00 0.00 177.57 175.17 3pva s VAL 266 N -3.02 1.75 0.01 7.19 1.01 -1.26 -5.07 120.40 121.01 3pva s VAL 266 Ca 0.04 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.26 3pva s VAL 266 Cb 0.07 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 3pva s VAL 266 CO 0.73 0.49 -0.18 -0.76 0.00 0.00 0.00 175.10 175.39 3pva s LEU 267 N 0.64 2.09 0.00 3.92 1.43 -1.26 -1.25 118.68 124.25 3pva s LEU 267 Ca -0.13 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 52.52 3pva s LEU 267 Cb -0.16 -0.87 0.09 0.00 0.03 0.00 0.00 46.19 45.28 3pva s LEU 267 CO 0.04 0.17 0.47 0.35 0.23 0.00 0.00 176.35 177.61 3pva n THR 268 N 2.35 0.00 -0.01 5.49 -2.24 0.50 -4.85 114.28 115.52 3pva n THR 268 Ca -0.16 -0.31 -0.07 0.00 -2.27 0.00 0.00 64.05 61.24 3pva n THR 268 Cb 0.54 -1.63 0.11 0.00 -2.10 0.00 0.00 70.33 67.25 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 -0.90 0.61 0.15 3.42 2.35 -2.02 -1.69 115.58 117.50 3pva h ASN 269 Ca -0.16 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3pva h ASN 269 Cb 0.44 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 3pva h ASN 269 CO 0.11 0.93 -0.00 -0.08 -1.65 0.00 0.00 177.43 176.74 3pva h GLU 270 N 0.48 0.00 0.00 0.81 4.57 -2.06 -3.46 114.58 114.93 3pva h GLU 270 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3pva h GLU 270 Cb 0.88 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 3pva h GLU 270 CO 0.08 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.32 3pva n GLY 271 N -0.92 0.72 3.78 1.92 0.00 -0.64 -5.04 105.19 105.01 3pva n GLY 271 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.43 4.43 -0.13 1.61 3.01 -1.26 -4.67 119.74 122.30 3pva s LYS 272 Ca 0.00 1.42 -0.21 0.00 -1.01 0.00 0.00 55.97 56.17 3pva s LYS 272 Cb 0.00 -2.71 -0.03 0.00 -1.01 0.00 0.00 37.83 34.07 3pva s LYS 272 CO 0.00 0.12 0.61 -0.08 0.51 0.00 0.00 175.35 176.50 3pva s THR 273 N -1.62 5.08 -0.36 2.17 -1.32 -1.26 -0.37 115.64 117.96 3pva s THR 273 Ca 0.53 1.20 -0.19 0.00 -1.21 0.00 0.00 61.69 62.02 3pva s THR 273 Cb -0.20 -3.94 0.00 0.00 -1.51 0.00 0.00 72.50 66.85 3pva s THR 273 CO 0.26 0.22 0.54 -0.62 -2.21 0.00 0.00 174.62 172.81 3pva s ASP 274 N 0.90 6.33 0.14 8.08 2.15 -0.38 -4.03 116.67 129.86 3pva s ASP 274 Ca 0.31 -0.07 -0.01 0.00 0.43 0.00 0.00 52.55 53.21 3pva s ASP 274 Cb -0.16 -2.28 -0.04 0.00 -0.30 0.00 0.00 42.92 40.14 3pva s ASP 274 CO 0.13 -0.54 0.06 -0.72 -0.17 0.00 0.00 175.17 173.93 3pva s TYR 275 N 2.47 0.92 -0.98 -5.34 1.13 -0.97 -4.27 117.35 110.32 3pva s TYR 275 Ca 0.20 -1.23 -0.24 0.00 -1.41 0.00 0.00 57.07 54.39 3pva s TYR 275 Cb -0.15 -0.51 0.02 0.00 -1.10 0.00 0.00 41.96 40.21 3pva s TYR 275 CO 0.14 -0.50 1.62 0.99 -2.51 0.00 0.00 175.55 175.29 3pva s THR 276 N -4.02 3.76 0.11 -3.49 2.01 -1.06 -1.94 115.64 111.01 3pva s THR 276 Ca 0.25 -0.62 -0.21 0.00 0.31 0.00 0.00 61.69 61.43 3pva s THR 276 Cb 0.07 -4.70 -0.09 0.00 0.01 0.00 0.00 72.50 67.79 3pva s THR 276 CO 0.03 -1.60 1.75 0.40 -0.69 0.00 0.00 174.62 174.51 3pva h ILE 277 N 6.95 1.05 -3.67 1.82 2.04 -1.40 -3.36 117.51 120.94 3pva h ILE 277 Ca 0.16 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.85 3pva h ILE 277 Cb 1.01 0.86 -0.09 0.00 -0.74 0.00 0.00 36.82 37.85 3pva h ILE 277 CO 1.35 0.05 -0.13 -0.72 0.00 0.00 0.00 178.15 178.71 3pva s TYR 278 N -6.11 0.39 -0.06 1.37 -0.85 -1.24 -1.14 117.35 109.71 3pva s TYR 278 Ca -0.13 -0.75 -0.02 0.00 -0.52 0.00 0.00 57.07 55.65 3pva s TYR 278 Cb 0.08 0.18 0.04 0.00 0.38 0.00 0.00 41.96 42.63 3pva s TYR 278 CO 0.68 -0.99 0.10 0.99 -1.52 0.00 0.00 175.55 174.82 3pva s THR 279 N -3.99 -0.14 0.14 -3.49 2.01 0.32 -1.49 115.64 109.00 3pva s THR 279 Ca 0.23 0.31 0.05 0.00 0.31 0.00 0.00 61.69 62.60 3pva s THR 279 Cb -0.01 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 3pva s THR 279 CO 0.09 0.13 -0.12 -0.94 -0.69 0.00 0.00 174.62 173.09 3pva s SER 280 N 1.79 1.95 0.02 3.53 1.04 -0.33 -1.12 113.70 120.58 3pva s SER 280 Ca -0.01 -0.90 0.02 0.00 0.48 0.00 0.00 55.95 55.53 3pva s SER 280 Cb -0.12 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 3pva s SER 280 CO -0.05 -0.22 -0.06 0.00 0.98 0.00 0.00 173.24 173.90 3pva s ALA 281 N -2.66 0.44 0.03 5.32 0.00 -0.52 -1.45 121.76 122.92 3pva s ALA 281 Ca 0.13 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 51.67 3pva s ALA 281 Cb -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 3pva s ALA 281 CO 0.02 0.03 -0.09 -1.64 0.00 0.00 0.00 175.76 174.08 3pva s MET 282 N -0.79 0.66 -0.21 0.00 -1.94 0.86 -0.28 119.30 117.60 3pva s MET 282 Ca -0.04 -0.59 -0.02 0.00 -1.71 0.00 0.00 55.69 53.33 3pva s MET 282 Cb -0.06 -0.58 0.00 0.00 2.01 0.00 0.00 34.83 36.21 3pva s MET 282 CO 0.00 0.14 -0.09 0.00 -0.01 0.00 0.00 175.02 175.06 3pva h ALA 284 N 8.06 0.69 0.03 0.00 0.00 -1.01 0.50 119.26 127.52 3pva h ALA 284 Ca -0.43 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.22 3pva h ALA 284 Cb 1.15 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3pva h ALA 284 CO 0.61 0.12 -0.98 1.96 0.00 0.00 0.00 179.25 180.96 3pva h GLN 285 N 0.73 0.31 0.00 0.00 1.08 -1.87 -3.30 115.11 112.06 3pva h GLN 285 Ca 0.20 -0.38 -0.10 0.00 -1.45 0.00 0.00 58.65 56.93 3pva h GLN 285 Cb -0.08 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 3pva h GLN 285 CO -0.05 1.08 -1.10 0.66 -0.95 0.00 0.00 178.83 178.48 3pva h SER 286 N 0.16 0.00 -3.30 1.46 4.64 -1.92 -3.48 113.55 111.11 3pva h SER 286 Ca -0.08 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.94 3pva h SER 286 Cb 1.64 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.77 3pva h SER 286 CO 0.16 0.36 -0.45 0.29 -0.87 0.00 0.00 176.83 176.33 3pva n LYS 287 N -2.88 -3.37 -3.65 4.77 4.01 0.16 -4.75 118.16 112.45 3pva n LYS 287 Ca -0.05 0.69 -0.35 0.00 -0.51 0.00 0.00 58.31 58.10 3pva n LYS 287 Cb 0.72 -5.08 -0.05 0.00 -0.51 0.00 0.00 35.03 30.11 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 -2.72 6.59 -0.12 4.39 0.02 -1.23 -2.22 114.94 119.66 3pva s ASN 288 Ca 0.20 0.70 0.02 0.00 -1.02 0.00 0.00 52.86 52.76 3pva s ASN 288 Cb -0.09 -2.14 -0.01 0.00 0.02 0.00 0.00 41.25 39.03 3pva s ASN 288 CO 0.24 0.22 -0.18 -0.47 0.02 0.00 0.00 177.10 176.93 3pva s TYR 289 N -1.34 2.69 0.13 2.20 6.14 0.71 -2.10 117.35 125.78 3pva s TYR 289 Ca 0.30 -0.84 0.11 0.00 0.64 0.00 0.00 57.07 57.28 3pva s TYR 289 Cb -0.14 -1.78 -0.04 0.00 0.42 0.00 0.00 41.96 40.42 3pva s TYR 289 CO 0.17 -0.31 -0.25 0.71 0.64 0.00 0.00 175.55 176.51 3pva s TYR 290 N 0.34 2.35 -0.15 4.97 1.51 0.61 -0.56 117.35 126.42 3pva s TYR 290 Ca -0.15 -0.36 -0.29 0.00 -1.01 0.00 0.00 57.07 55.27 3pva s TYR 290 Cb -0.17 -1.26 0.09 0.00 -0.11 0.00 0.00 41.96 40.51 3pva s TYR 290 CO 0.07 0.36 0.80 -0.59 -1.11 0.00 0.00 175.55 175.09 3pva s PHE 291 N -1.12 -0.60 0.12 2.71 -0.71 -0.07 -1.43 117.98 116.88 3pva s PHE 291 Ca 0.15 1.19 0.06 0.00 -1.04 0.00 0.00 56.93 57.29 3pva s PHE 291 Cb -0.10 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 3pva s PHE 291 CO 0.07 -0.45 -0.15 -1.59 -1.34 0.00 0.00 175.22 171.75 3pva s LYS 292 N -0.67 1.04 0.36 1.99 -2.85 -0.27 -0.64 119.74 118.70 3pva s LYS 292 Ca -0.05 -1.22 0.05 0.00 -1.00 0.00 0.00 55.97 53.76 3pva s LYS 292 Cb -0.02 -1.01 -0.07 0.00 -2.06 0.00 0.00 37.83 34.67 3pva s LYS 292 CO 0.04 0.21 0.03 -0.48 0.10 0.00 0.00 175.35 175.25 3pva s LEU 293 N -2.32 2.52 0.24 2.77 0.05 -1.16 -0.52 118.68 120.26 3pva s LEU 293 Ca 0.08 -1.36 -0.13 0.00 0.05 0.00 0.00 54.13 52.77 3pva s LEU 293 Cb -0.06 -0.64 0.31 0.00 -2.05 0.00 0.00 46.19 43.74 3pva s LEU 293 CO 0.04 -0.52 1.59 0.22 -0.55 0.00 0.00 176.35 177.13 3pva h TYR 294 N 1.96 -0.56 -0.14 3.48 3.20 -1.28 -1.79 116.97 121.83 3pva h TYR 294 Ca -0.42 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.52 3pva h TYR 294 Cb 1.24 0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.88 3pva h TYR 294 CO 0.65 -0.36 0.00 -0.25 -1.64 0.00 0.00 178.16 176.56 3pva n ASP 295 N -5.51 1.66 -3.46 -2.11 8.00 -1.26 -4.80 116.55 109.07 3pva n ASP 295 Ca 0.11 -1.68 -0.16 0.00 0.71 0.00 0.00 54.79 53.77 3pva n ASP 295 Cb 0.40 -0.09 -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 -1.64 1.17 0.00 -2.24 3.04 -0.67 -2.45 114.94 112.15 3pva s ASN 296 Ca 0.33 -0.17 0.30 0.00 0.04 0.00 0.00 52.86 53.36 3pva s ASN 296 Cb 0.18 0.54 1.51 0.00 -1.54 0.00 0.00 41.25 41.94 3pva s ASN 296 CO 0.27 -0.33 2.02 -1.54 -3.04 0.00 0.00 177.10 174.49 3pva n SER 297 N 5.33 0.33 -4.69 -4.21 3.41 -1.26 -2.96 113.62 109.57 3pva n SER 297 Ca -0.05 -0.76 -0.42 0.00 -0.26 0.00 0.00 58.87 57.38 3pva n SER 297 Cb 0.49 -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 -2.26 4.32 0.04 4.33 3.52 -1.26 -4.96 118.95 122.68 3pva s ARG 298 Ca 0.37 1.79 -0.30 0.00 -0.13 0.00 0.00 55.73 57.45 3pva s ARG 298 Cb 0.21 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 3pva s ARG 298 CO 0.42 -0.50 1.06 0.42 -0.81 0.00 0.00 175.30 175.88 3pva s ILE 299 N 2.32 4.48 -0.01 4.11 1.01 -1.26 -4.57 121.20 127.28 3pva s ILE 299 Ca 0.59 1.83 0.04 0.00 0.00 0.00 0.00 60.65 63.11 3pva s ILE 299 Cb -0.27 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.00 3pva s ILE 299 CO 0.24 0.17 -0.13 -0.44 0.00 0.00 0.00 174.94 174.77 3pva s SER 300 N 0.85 4.15 0.01 3.58 0.01 0.18 -4.91 113.70 117.57 3pva s SER 300 Ca 0.54 -0.24 0.07 0.00 1.31 0.00 0.00 55.95 57.62 3pva s SER 300 Cb -0.25 -0.85 -0.02 0.00 0.21 0.00 0.00 66.02 65.11 3pva s SER 300 CO 0.29 0.30 -0.20 0.00 0.41 0.00 0.00 173.24 174.04 3pva s ALA 301 N -0.86 1.71 -0.03 1.44 0.00 -1.26 -0.89 121.76 121.85 3pva s ALA 301 Ca 0.14 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.20 3pva s ALA 301 Cb -0.11 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 3pva s ALA 301 CO 0.04 0.40 -0.20 0.08 0.00 0.00 0.00 175.76 176.08 3pva s VAL 302 N -0.62 1.61 -0.24 0.00 1.01 0.27 -4.97 120.40 117.46 3pva s VAL 302 Ca 0.08 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 3pva s VAL 302 Cb -0.08 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 3pva s VAL 302 CO 0.00 0.46 0.08 -0.55 0.00 0.00 0.00 175.10 175.09 3pva s SER 303 N -0.22 5.28 0.04 3.32 0.15 -1.26 -0.21 113.70 120.80 3pva s SER 303 Ca 0.01 -0.15 -0.25 0.00 0.70 0.00 0.00 55.95 56.26 3pva s SER 303 Cb -0.10 -1.95 -0.17 0.00 -1.71 0.00 0.00 66.02 62.09 3pva s SER 303 CO 0.01 -0.01 1.51 0.25 1.20 0.00 0.00 173.24 176.20 3pva h LEU 304 N 8.04 -0.18 -2.11 3.45 5.85 -1.75 -3.07 115.31 125.54 3pva h LEU 304 Ca -0.38 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3pva h LEU 304 Cb 1.18 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3pva h LEU 304 CO 0.59 0.04 0.04 0.24 -0.34 0.00 0.00 178.44 179.00 3pva h MET 305 N -0.40 0.00 0.00 1.25 2.86 -1.86 -1.98 114.93 114.81 3pva h MET 305 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3pva h MET 305 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 3pva h MET 305 CO 0.04 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.01 3pva h ALA 306 N 1.92 1.00 -1.46 6.32 0.00 -1.93 -3.46 119.26 121.65 3pva h ALA 306 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 3pva h ALA 306 Cb 0.07 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.88 3pva h ALA 306 CO 0.00 0.00 -0.22 -1.21 0.00 0.00 0.00 179.25 177.82 3pva s GLU 307 N -3.27 2.77 -0.43 0.00 0.41 -0.74 -5.05 118.70 112.38 3pva s GLU 307 Ca 0.07 -1.20 -0.25 0.00 -0.41 0.00 0.00 54.97 53.17 3pva s GLU 307 Cb 0.10 -2.72 0.02 0.00 -1.78 0.00 0.00 34.13 29.75 3pva s GLU 307 CO 0.52 -0.36 0.92 1.21 -0.49 0.00 0.00 175.26 177.07 3pva s ASN 308 N -4.38 6.55 0.00 -0.19 2.47 -1.26 -4.89 114.94 113.24 3pva s ASN 308 Ca 0.56 0.25 0.22 0.00 0.42 0.00 0.00 52.86 54.31 3pva s ASN 308 Cb -0.10 -2.45 1.21 0.00 -1.45 0.00 0.00 41.25 38.46 3pva s ASN 308 CO 0.34 -0.99 1.68 0.18 -3.72 0.00 0.00 177.10 174.59 3pva n LEU 309 N 7.05 0.00 -0.71 3.21 4.77 -1.26 -1.82 117.00 128.23 3pva n LEU 309 Ca 0.06 0.12 0.06 0.00 -0.03 0.00 0.00 56.01 56.22 3pva n LEU 309 Cb 0.48 -0.12 0.17 0.00 -2.33 0.00 0.00 43.42 41.63 3pva n LEU 309 CO 0.62 -0.04 0.65 0.59 -1.33 0.00 0.00 177.39 177.88 3pva n ASN 310 N -1.12 3.09 -4.60 -1.43 4.13 -1.26 0.12 115.26 114.20 3pva n ASN 310 Ca 0.14 -2.09 -0.35 0.00 1.68 0.00 0.00 54.58 53.95 3pva n ASN 310 Cb 0.11 -0.28 0.09 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 0.50 0.20 0.09 6.41 7.64 -0.76 -4.89 113.62 122.82 3pva n SER 311 Ca 0.13 0.63 -0.13 0.00 1.01 0.00 0.00 58.87 60.51 3pva n SER 311 Cb 0.48 -1.39 -0.13 0.00 -1.01 0.00 0.00 64.21 62.17 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 -0.43 0.18 -6.22 1.43 1.08 -1.94 -3.44 115.11 105.77 3pva h GLN 312 Ca -0.47 -0.31 -0.48 0.00 -1.45 0.00 0.00 58.65 55.94 3pva h GLN 312 Cb 1.33 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.85 3pva h GLN 312 CO 0.45 1.15 -0.45 -0.51 -0.95 0.00 0.00 178.83 178.52 3pva s ASP 313 N -7.01 5.80 0.23 1.46 1.01 -1.26 -4.95 116.67 111.95 3pva s ASP 313 Ca -0.02 -0.19 -0.30 0.00 0.71 0.00 0.00 52.55 52.75 3pva s ASP 313 Cb 0.08 -1.42 -0.09 0.00 1.01 0.00 0.00 42.92 42.50 3pva s ASP 313 CO 0.86 -0.19 1.25 -0.76 0.21 0.00 0.00 175.17 176.55 3pva s LEU 314 N -3.98 4.45 -0.36 1.23 1.02 -1.26 -4.65 118.68 115.12 3pva s LEU 314 Ca 0.37 2.40 -0.10 0.00 0.02 0.00 0.00 54.13 56.82 3pva s LEU 314 Cb -0.08 -3.62 0.03 0.00 0.02 0.00 0.00 46.19 42.53 3pva s LEU 314 CO 0.28 -0.43 0.18 -0.63 0.02 0.00 0.00 176.35 175.77 3pva s ILE 315 N -0.38 4.44 0.10 -0.59 1.01 -1.06 -4.94 121.20 119.78 3pva s ILE 315 Ca 0.52 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 60.37 3pva s ILE 315 Cb -0.36 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 3pva s ILE 315 CO 0.41 -0.19 -0.03 0.42 0.00 0.00 0.00 174.94 175.56 3pva s THR 316 N 1.53 3.82 -0.11 2.92 -4.23 -1.26 -0.73 115.64 117.58 3pva s THR 316 Ca 0.02 -1.10 -0.01 0.00 -1.18 0.00 0.00 61.69 59.42 3pva s THR 316 Cb -0.19 -2.82 0.03 0.00 1.34 0.00 0.00 72.50 70.86 3pva s THR 316 CO 0.06 0.10 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.81 3pva s PHE 317 N -1.32 1.41 0.54 3.99 0.40 0.27 -4.97 117.98 118.30 3pva s PHE 317 Ca 0.25 -0.70 -0.16 0.00 -0.60 0.00 0.00 56.93 55.72 3pva s PHE 317 Cb -0.11 -1.20 -0.07 0.00 0.51 0.00 0.00 43.02 42.16 3pva s PHE 317 CO 0.17 -0.50 1.01 -2.00 0.70 0.00 0.00 175.22 174.59 3pva s GLU 318 N 1.73 3.77 0.26 0.44 2.56 -1.26 0.05 118.70 126.25 3pva s GLU 318 Ca 0.05 0.99 -0.28 0.00 0.00 0.00 0.00 54.97 55.73 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 -0.08 -0.42 0.92 -1.58 -0.56 0.00 0.00 175.26 173.54 3pva s TRP 319 N -2.64 3.86 -0.54 5.30 0.52 -1.26 -4.88 118.94 119.30 3pva s TRP 319 Ca 0.60 1.82 -0.05 0.00 0.02 0.00 0.00 56.10 58.49 3pva s TRP 319 Cb -0.11 -2.93 0.14 0.00 -1.15 0.00 0.00 33.47 29.42 3pva s TRP 319 CO 0.35 0.37 0.36 0.34 0.02 0.00 0.00 176.95 178.39 3pva s ASP 320 N -1.36 5.43 0.00 2.95 2.15 -1.26 -4.96 116.67 119.62 3pva s ASP 320 Ca 0.44 -2.39 0.08 0.00 0.43 0.00 0.00 52.55 51.11 3pva s ASP 320 Cb -0.23 -1.90 0.46 0.00 -0.30 0.00 0.00 42.92 40.96 3pva s ASP 320 CO 0.28 -0.50 1.04 -1.14 -0.17 0.00 0.00 175.17 174.68 3pva n ARG 321 N 4.16 0.69 -3.50 4.34 3.00 -1.26 -4.74 116.66 119.34 3pva n ARG 321 Ca 0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.53 3pva n ARG 321 Cb 0.40 -1.17 -0.05 0.00 0.00 0.00 0.00 32.46 31.63 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 3.80 -0.30 -0.14 -0.14 -1.26 -4.62 119.74 115.07 3pva s LYS 322 Ca 0.12 0.23 -0.29 0.00 -1.36 0.00 0.00 55.97 54.67 3pva s LYS 322 Cb 0.05 -2.87 -0.01 0.00 -1.68 0.00 0.00 37.83 33.32 3pva s LYS 322 CO 0.09 0.47 1.50 -1.14 -0.76 0.00 0.00 175.35 175.50 3pva s GLN 323 N -2.27 3.74 -1.45 1.68 2.00 -1.03 -4.45 119.66 117.89 3pva s GLN 323 Ca 0.39 1.36 -0.14 0.00 -2.00 0.00 0.00 55.36 54.97 3pva s GLN 323 Cb -0.13 -4.00 0.05 0.00 0.80 0.00 0.00 33.01 29.72 3pva s GLN 323 CO 0.20 -1.36 2.19 -3.47 -0.50 0.00 0.00 175.29 172.36 3pva n ASP 324 N 8.47 3.97 -4.72 6.67 -0.08 -1.26 -4.95 116.55 124.64 3pva n ASP 324 Ca 0.17 -2.86 -0.42 0.00 -1.51 0.00 0.00 54.79 50.18 3pva n ASP 324 Cb 0.46 -1.66 -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 3.11 3.78 -0.18 5.18 -1.09 -1.26 -4.86 121.20 125.87 3pva s ILE 325 Ca 0.47 1.32 -0.17 0.00 -2.23 0.00 0.00 60.65 60.04 3pva s ILE 325 Cb 0.13 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 3pva s ILE 325 CO -0.08 0.13 0.46 -0.75 -1.23 0.00 0.00 174.94 173.48 3pva s LYS 326 N 0.74 4.22 -0.20 2.79 2.20 -1.26 -5.04 119.74 123.19 3pva s LYS 326 Ca 0.58 0.34 -0.20 0.00 -0.36 0.00 0.00 55.97 56.34 3pva s LYS 326 Cb -0.32 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.45 3pva s LYS 326 CO 0.31 -0.04 0.59 -0.65 -0.36 0.00 0.00 175.35 175.20 3pva s GLN 327 N 1.30 4.20 0.01 4.03 -0.21 -1.26 -4.93 119.66 122.81 3pva s GLN 327 Ca 0.23 0.54 0.02 0.00 0.02 0.00 0.00 55.36 56.17 3pva s GLN 327 Cb -0.15 -3.57 -0.25 0.00 1.00 0.00 0.00 33.01 30.04 3pva s GLN 327 CO 0.09 -0.20 0.89 -0.07 -2.12 0.00 0.00 175.29 173.88 3pva h LEU 328 N 8.09 0.23 0.00 2.90 4.07 -2.01 -3.47 115.31 125.12 3pva h LEU 328 Ca -0.32 -0.33 -0.30 0.00 0.08 0.00 0.00 57.88 57.01 3pva h LEU 328 Cb 1.15 -0.07 -0.08 0.00 1.08 0.00 0.00 40.66 42.74 3pva h LEU 328 CO 0.76 1.27 -0.28 -0.46 -1.08 0.00 0.00 178.44 178.65 3pva n ASN 329 N -3.35 0.18 -4.57 -0.43 6.94 -1.26 -5.06 115.26 107.73 3pva n ASN 329 Ca -0.13 -2.31 -0.34 0.00 -0.02 0.00 0.00 54.58 51.78 3pva n ASN 329 Cb 1.02 0.85 -0.04 0.00 -2.36 0.00 0.00 39.78 39.25 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 -2.86 3.07 0.92 -3.83 2.00 -1.26 -4.97 119.66 112.74 3pva s GLN 330 Ca 0.19 -0.90 -0.12 0.00 -2.00 0.00 0.00 55.36 52.53 3pva s GLN 330 Cb 0.01 -5.25 0.14 0.00 0.80 0.00 0.00 33.01 28.71 3pva s GLN 330 CO 0.14 -2.93 1.09 0.08 -0.50 0.00 0.00 175.29 173.17 3pva s VAL 331 N 7.76 2.50 -0.41 1.34 1.01 -1.26 -4.96 120.40 126.38 3pva s VAL 331 Ca 0.60 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.80 3pva s VAL 331 Cb -0.02 -2.67 0.66 0.00 0.00 0.00 0.00 36.38 34.35 3pva s VAL 331 CO -0.01 -0.21 1.84 -3.20 0.00 0.00 0.00 175.10 173.51 3pva n ASN 332 N -3.94 3.75 -3.04 3.32 5.15 -1.26 -4.99 115.26 114.26 3pva n ASN 332 Ca 0.06 -3.57 -0.09 0.00 -0.60 0.00 0.00 54.58 50.39 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 -0.98 -1.08 -1.76 3.44 0.31 -1.26 -5.31 118.33 111.69 3pva n VAL 333 Ca 0.53 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.84 3pva n VAL 333 Cb 1.54 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 3pva n VAL 333 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31