#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 1.88 -0.12 0.00 0.01 -1.23 -4.01 113.70 110.23 3pva s SER 2 Ca 0.00 -0.78 -0.30 0.00 1.31 0.00 0.00 55.95 56.19 3pva s SER 2 Cb 0.00 -0.06 0.09 0.00 0.21 0.00 0.00 66.02 66.26 3pva s SER 2 CO 0.00 -0.15 0.79 -0.94 0.41 0.00 0.00 173.24 173.35 3pva s SER 3 N -2.33 -0.59 0.28 2.44 1.04 0.20 -0.54 113.70 114.21 3pva s SER 3 Ca 0.07 0.75 -0.18 0.00 0.48 0.00 0.00 55.95 57.06 3pva s SER 3 Cb -0.06 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.71 3pva s SER 3 CO 0.03 -0.47 0.66 -1.48 0.98 0.00 0.00 173.24 172.96 3pva s LEU 4 N -0.87 -0.08 0.00 2.42 2.34 -0.12 0.22 118.68 122.59 3pva s LEU 4 Ca -0.06 -0.74 -0.01 0.00 0.06 0.00 0.00 54.13 53.38 3pva s LEU 4 Cb -0.01 2.49 -0.01 0.00 -0.56 0.00 0.00 46.19 48.11 3pva s LEU 4 CO 0.06 -1.33 0.01 -0.94 -1.06 0.00 0.00 176.35 173.09 3pva s SER 5 N -2.96 0.08 0.36 1.48 1.04 -0.39 -0.28 113.70 113.02 3pva s SER 5 Ca 0.14 -0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.45 3pva s SER 5 Cb -0.05 0.08 -0.06 0.00 0.10 0.00 0.00 66.02 66.09 3pva s SER 5 CO 0.08 -0.14 0.05 0.27 0.98 0.00 0.00 173.24 174.48 3pva s ILE 6 N -0.61 1.35 -0.10 -1.02 -0.00 0.25 -4.91 121.20 116.16 3pva s ILE 6 Ca -0.07 -2.00 0.03 0.00 -0.00 0.00 0.00 60.65 58.62 3pva s ILE 6 Cb -0.04 -2.78 0.01 0.00 -0.00 0.00 0.00 42.46 39.64 3pva s ILE 6 CO -0.00 0.00 -0.21 -0.60 -0.00 0.00 0.00 174.94 174.13 3pva s ARG 7 N -3.83 2.79 0.89 0.37 6.06 -1.26 -1.52 118.95 122.45 3pva s ARG 7 Ca 0.34 -0.78 -0.11 0.00 -2.50 0.00 0.00 55.73 52.68 3pva s ARG 7 Cb 0.08 -2.17 0.20 0.00 0.06 0.00 0.00 34.95 33.12 3pva s ARG 7 CO 0.15 0.10 1.22 0.25 -2.50 0.00 0.00 175.30 174.52 3pva n THR 8 N 3.73 0.00 0.90 4.11 -2.24 0.13 -4.55 114.28 116.37 3pva n THR 8 Ca -0.20 -1.21 0.12 0.00 -2.27 0.00 0.00 64.05 60.50 3pva n THR 8 Cb 0.52 -1.28 0.32 0.00 -2.10 0.00 0.00 70.33 67.79 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 -3.49 0.09 1.30 4.28 -2.24 0.29 -3.49 114.28 111.02 3pva n THR 9 Ca 0.17 -0.06 0.13 0.00 -2.27 0.00 0.00 64.05 62.02 3pva n THR 9 Cb 0.59 -0.01 0.69 0.00 -2.10 0.00 0.00 70.33 69.50 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 -1.64 0.00 -2.17 3.42 2.03 -1.23 -4.90 116.55 112.05 3pva n ASP 10 Ca 0.05 -0.15 -0.14 0.00 0.52 0.00 0.00 54.79 55.08 3pva n ASP 10 Cb 0.36 -0.27 0.04 0.00 -0.72 0.00 0.00 41.12 40.53 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 -1.27 -4.46 -4.66 1.67 8.00 -1.23 -5.03 116.55 109.58 3pva n ASP 11 Ca 0.13 -0.27 -0.33 0.00 0.71 0.00 0.00 54.79 55.03 3pva n ASP 11 Cb 0.21 -3.12 -0.10 0.00 -0.02 0.00 0.00 41.12 38.09 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 -5.60 2.82 -0.13 -1.24 1.02 -1.26 -4.93 119.74 110.42 3pva s LYS 12 Ca 0.29 -0.55 -0.02 0.00 0.02 0.00 0.00 55.97 55.71 3pva s LYS 12 Cb -0.13 -2.68 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 3pva s LYS 12 CO 0.36 0.65 -0.04 -1.12 -0.92 0.00 0.00 175.35 174.29 3pva s SER 13 N -1.22 4.80 0.05 2.83 0.01 -1.26 0.21 113.70 119.11 3pva s SER 13 Ca 0.16 -0.08 0.05 0.00 1.31 0.00 0.00 55.95 57.40 3pva s SER 13 Cb -0.11 -1.61 -0.02 0.00 0.21 0.00 0.00 66.02 64.48 3pva s SER 13 CO 0.06 0.24 -0.16 -0.76 0.41 0.00 0.00 173.24 173.03 3pva s LEU 14 N -0.05 2.18 0.01 2.44 1.02 -0.58 -0.92 118.68 122.78 3pva s LEU 14 Ca 0.01 -0.49 0.05 0.00 0.02 0.00 0.00 54.13 53.72 3pva s LEU 14 Cb -0.13 -0.68 -0.02 0.00 0.02 0.00 0.00 46.19 45.38 3pva s LEU 14 CO 0.03 0.05 -0.16 0.12 0.02 0.00 0.00 176.35 176.40 3pva s PHE 15 N -0.89 1.43 0.03 0.29 5.36 -0.11 -0.58 117.98 123.53 3pva s PHE 15 Ca 0.03 -0.30 -0.02 0.00 -0.96 0.00 0.00 56.93 55.67 3pva s PHE 15 Cb -0.08 -0.89 -0.02 0.00 -0.34 0.00 0.00 43.02 41.68 3pva s PHE 15 CO 0.02 0.01 0.00 0.00 -1.46 0.00 0.00 175.22 173.79 3pva s ALA 16 N -0.55 0.20 0.12 11.12 0.00 0.61 -0.92 121.76 132.34 3pva s ALA 16 Ca 0.05 -0.78 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 3pva s ALA 16 Cb -0.07 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.27 3pva s ALA 16 CO 0.00 -0.27 0.27 -0.98 0.00 0.00 0.00 175.76 174.78 3pva s ARG 17 N -2.55 0.98 0.10 0.00 1.04 -0.43 -0.95 118.95 117.14 3pva s ARG 17 Ca -0.06 -0.94 0.07 0.00 -1.04 0.00 0.00 55.73 53.76 3pva s ARG 17 Cb -0.02 0.39 -0.04 0.00 -2.04 0.00 0.00 34.95 33.24 3pva s ARG 17 CO -0.05 -0.35 -0.10 0.95 -0.04 0.00 0.00 175.30 175.72 3pva s THR 18 N -3.87 3.37 -0.33 4.99 -4.23 0.30 -1.00 115.64 114.87 3pva s THR 18 Ca 0.07 -1.26 -0.02 0.00 -1.18 0.00 0.00 61.69 59.30 3pva s THR 18 Cb 0.04 -2.58 0.07 0.00 1.34 0.00 0.00 72.50 71.37 3pva s THR 18 CO -0.09 0.11 0.06 -0.32 -0.54 0.00 0.00 174.62 173.85 3pva s MET 19 N -2.20 2.26 -0.39 3.99 1.75 -0.58 -3.56 119.30 120.56 3pva s MET 19 Ca 0.21 -1.45 -0.08 0.00 -1.25 0.00 0.00 55.69 53.12 3pva s MET 19 Cb -0.11 -3.30 0.06 0.00 2.84 0.00 0.00 34.83 34.32 3pva s MET 19 CO 0.14 -0.76 0.20 -0.51 -0.65 0.00 0.00 175.02 173.43 3pva s ASP 20 N 1.39 5.54 0.23 1.11 1.01 -1.26 -0.73 116.67 123.96 3pva s ASP 20 Ca -0.00 -1.32 0.00 0.00 0.71 0.00 0.00 52.55 51.94 3pva s ASP 20 Cb -0.21 -1.95 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 3pva s ASP 20 CO -0.02 -0.44 0.13 0.12 0.21 0.00 0.00 175.17 175.16 3pva s PHE 21 N 1.43 1.32 -1.28 4.23 5.36 -0.92 -4.41 117.98 123.70 3pva s PHE 21 Ca 0.02 -1.34 0.25 0.00 -0.96 0.00 0.00 56.93 54.90 3pva s PHE 21 Cb -0.21 -0.68 0.55 0.00 -0.34 0.00 0.00 43.02 42.34 3pva s PHE 21 CO 0.03 -0.56 1.44 0.25 -1.46 0.00 0.00 175.22 174.91 3pva n THR 22 N -0.36 0.00 -3.72 0.12 -2.24 -1.26 -2.46 114.28 104.36 3pva n THR 22 Ca 0.02 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.62 3pva n THR 22 Cb 0.66 0.36 -0.07 0.00 -2.10 0.00 0.00 70.33 69.17 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 -2.82 0.81 -0.56 -0.78 -2.45 -1.26 -4.76 119.30 107.48 3pva s MET 23 Ca 0.16 -0.35 -0.04 0.00 -1.25 0.00 0.00 55.69 54.21 3pva s MET 23 Cb 0.18 0.36 0.15 0.00 1.25 0.00 0.00 34.83 36.76 3pva s MET 23 CO 0.64 -0.25 0.39 -1.21 1.05 0.00 0.00 175.02 175.64 3pva s GLU 24 N -2.12 2.47 0.62 4.11 2.02 -1.26 -5.08 118.70 119.47 3pva s GLU 24 Ca -0.08 -2.25 -0.18 0.00 0.02 0.00 0.00 54.97 52.49 3pva s GLU 24 Cb -0.02 -3.76 -0.02 0.00 0.10 0.00 0.00 34.13 30.43 3pva s GLU 24 CO -0.00 -1.16 1.18 -1.25 0.02 0.00 0.00 175.26 174.05 3pva s PRO 25 N 0.44 2.85 0.03 0.39 0.04 -1.26 -4.84 135.00 132.66 3pva s PRO 25 Ca 0.13 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 3pva s PRO 25 Cb -0.21 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 3pva s PRO 25 CO -0.04 -1.27 1.89 -0.51 0.04 0.00 0.00 177.00 177.11 3pva s ASP 26 N -1.88 6.49 0.10 6.66 1.01 -1.26 -4.93 116.67 122.86 3pva s ASP 26 Ca 0.74 2.61 0.05 0.00 0.71 0.00 0.00 52.55 56.66 3pva s ASP 26 Cb -0.27 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.09 3pva s ASP 26 CO 0.36 -1.02 -0.13 -0.44 0.21 0.00 0.00 175.17 174.15 3pva s SER 27 N 3.99 1.71 0.26 0.27 0.01 -1.26 -4.51 113.70 114.18 3pva s SER 27 Ca 0.85 -0.74 -0.21 0.00 1.31 0.00 0.00 55.95 57.16 3pva s SER 27 Cb -0.41 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 65.80 3pva s SER 27 CO 0.39 -0.15 0.69 -1.59 0.41 0.00 0.00 173.24 172.98 3pva s LYS 28 N -2.35 1.71 -0.01 12.44 0.00 -0.98 -4.62 119.74 125.92 3pva s LYS 28 Ca 0.04 -0.95 -0.25 0.00 0.00 0.00 0.00 55.97 54.81 3pva s LYS 28 Cb -0.06 0.60 -0.04 0.00 0.00 0.00 0.00 37.83 38.32 3pva s LYS 28 CO 0.02 -0.78 0.76 0.54 0.00 0.00 0.00 175.35 175.90 3pva s VAL 29 N -3.91 4.90 -0.09 1.79 0.11 0.98 -2.51 120.40 121.68 3pva s VAL 29 Ca 0.11 1.60 0.03 0.00 -2.93 0.00 0.00 61.98 60.78 3pva s VAL 29 Cb -0.05 -4.11 -0.02 0.00 -1.53 0.00 0.00 36.38 30.67 3pva s VAL 29 CO 0.05 0.28 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.31 3pva s ILE 30 N 0.50 2.85 -0.24 7.04 1.01 0.09 -0.39 121.20 132.05 3pva s ILE 30 Ca 0.40 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 60.21 3pva s ILE 30 Cb -0.19 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 3pva s ILE 30 CO 0.21 0.56 0.07 -0.63 0.00 0.00 0.00 174.94 175.15 3pva s ILE 31 N -0.15 4.38 -0.29 2.92 1.01 0.14 -2.07 121.20 127.14 3pva s ILE 31 Ca -0.01 -0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.38 3pva s ILE 31 Cb -0.14 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 3pva s ILE 31 CO 0.03 0.35 0.17 -0.69 0.00 0.00 0.00 174.94 174.80 3pva s VAL 32 N 1.48 4.97 0.49 2.92 1.01 0.90 -2.38 120.40 129.80 3pva s VAL 32 Ca 0.06 -0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 3pva s VAL 32 Cb -0.15 -3.43 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 3pva s VAL 32 CO 0.04 0.18 0.91 -2.16 0.00 0.00 0.00 175.10 174.07 3pva s PRO 33 N 1.70 3.84 0.47 2.72 0.04 -1.26 -0.47 135.00 142.04 3pva s PRO 33 Ca 0.06 0.75 -0.22 0.00 0.04 0.00 0.00 61.00 61.63 3pva s PRO 33 Cb -0.16 -2.22 -0.10 0.00 0.04 0.00 0.00 34.50 32.06 3pva s PRO 33 CO 0.09 -0.23 0.85 0.54 0.04 0.00 0.00 177.00 178.29 3pva n ARG 34 N -1.65 1.02 -2.93 4.56 1.74 0.15 -2.65 116.66 116.90 3pva n ARG 34 Ca 0.05 0.37 -0.22 0.00 -0.77 0.00 0.00 57.85 57.29 3pva n ARG 34 Cb 0.54 -1.92 0.02 0.00 -1.02 0.00 0.00 32.46 30.08 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 0.43 -5.64 0.10 0.55 5.03 0.12 -4.77 115.26 111.08 3pva n ASN 35 Ca 0.11 -0.23 -0.20 0.00 0.87 0.00 0.00 54.58 55.13 3pva n ASN 35 Cb 0.42 -4.60 -0.15 0.00 -1.02 0.00 0.00 39.78 34.43 3pva n ASN 35 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 3pva h TYR 36 N -1.02 0.66 0.00 3.10 3.20 -1.72 -3.45 116.97 117.75 3pva h TYR 36 Ca -0.50 -0.48 0.00 0.00 3.14 0.00 0.00 58.73 60.89 3pva h TYR 36 Cb 1.35 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.59 3pva h TYR 36 CO 0.57 1.44 0.00 0.41 -1.64 0.00 0.00 178.16 178.94 3pva n GLY 37 N 1.66 -1.50 3.09 1.82 0.00 -1.26 -4.93 105.19 104.07 3pva n GLY 37 Ca -0.15 -1.18 -0.26 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.03 1.36 0.95 -0.61 -1.09 0.72 -4.89 121.20 116.61 3pva s ILE 38 Ca 0.00 -0.63 -0.11 0.00 -2.23 0.00 0.00 60.65 57.68 3pva s ILE 38 Cb 0.00 -1.20 0.16 0.00 -1.58 0.00 0.00 42.46 39.84 3pva s ILE 38 CO 0.00 0.40 1.12 -0.13 -1.23 0.00 0.00 174.94 175.10 3pva s ARG 39 N 0.41 0.77 -0.15 2.79 1.81 -1.26 -1.36 118.95 121.96 3pva s ARG 39 Ca -0.12 1.40 0.01 0.00 -1.72 0.00 0.00 55.73 55.30 3pva s ARG 39 Cb -0.15 -1.71 -0.10 0.00 -0.45 0.00 0.00 34.95 32.55 3pva s ARG 39 CO 0.04 -2.75 -0.12 -0.11 -0.68 0.00 0.00 175.30 171.68 3pva n LEU 40 N -4.30 2.89 -4.23 2.53 7.94 -1.22 -4.81 117.00 115.80 3pva n LEU 40 Ca 0.10 -0.08 -0.22 0.00 -1.11 0.00 0.00 56.01 54.70 3pva n LEU 40 Cb 0.53 -0.49 -0.13 0.00 0.53 0.00 0.00 43.42 43.86 3pva n LEU 40 CO 0.51 0.73 -0.50 -0.76 -1.11 0.00 0.00 177.39 176.27 3pva s LEU 41 N -5.82 2.24 0.34 -1.96 1.02 -1.26 -0.76 118.68 112.48 3pva s LEU 41 Ca -0.19 -0.60 0.23 0.00 0.02 0.00 0.00 54.13 53.59 3pva s LEU 41 Cb 0.05 -0.77 0.30 0.00 0.02 0.00 0.00 46.19 45.79 3pva s LEU 41 CO 0.34 0.05 1.46 -0.08 0.02 0.00 0.00 176.35 178.14 3pva h GLU 42 N 4.44 0.00 -0.55 1.70 4.57 -1.94 -3.28 114.58 119.51 3pva h GLU 42 Ca -0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 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 0.41 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.87 3pva n LYS 43 N -2.84 3.23 -4.13 1.92 5.02 -1.26 -4.90 118.16 115.20 3pva n LYS 43 Ca 0.03 -2.64 -0.15 0.00 -2.02 0.00 0.00 58.31 53.54 3pva n LYS 43 Cb 0.52 -1.67 -0.13 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.58 0.52 -0.02 1.97 2.02 -1.24 -5.06 118.70 115.31 3pva s GLU 44 Ca 0.43 -0.52 0.19 0.00 0.02 0.00 0.00 54.97 55.09 3pva s GLU 44 Cb 0.26 -0.40 0.59 0.00 0.10 0.00 0.00 34.13 34.68 3pva s GLU 44 CO 0.22 0.09 1.49 0.27 0.02 0.00 0.00 175.26 177.36 3pva n ASN 45 N 2.13 3.66 -4.70 -0.19 0.23 -1.26 -4.54 115.26 110.59 3pva n ASN 45 Ca -0.18 -2.09 -0.42 0.00 -0.53 0.00 0.00 54.58 51.36 3pva n ASN 45 Cb 0.56 -0.46 -0.03 0.00 -2.08 0.00 0.00 39.78 37.77 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 -1.29 2.80 -0.18 3.53 1.01 -1.26 -4.99 120.40 120.01 3pva s VAL 46 Ca 0.44 0.44 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 3pva s VAL 46 Cb 0.24 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3pva s VAL 46 CO 0.28 0.02 -0.14 -0.69 0.00 0.00 0.00 175.10 174.57 3pva s VAL 47 N 1.90 2.67 -0.11 2.92 1.01 -1.26 -3.37 120.40 124.16 3pva s VAL 47 Ca 0.72 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.76 3pva s VAL 47 Cb -0.42 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3pva s VAL 47 CO 0.32 0.50 0.53 -0.63 0.00 0.00 0.00 175.10 175.82 3pva s ILE 48 N 1.17 5.15 0.07 2.22 -1.09 -0.47 -4.83 121.20 123.42 3pva s ILE 48 Ca 0.01 1.07 -0.30 0.00 -2.23 0.00 0.00 60.65 59.21 3pva s ILE 48 Cb -0.14 -3.87 -0.05 0.00 -1.58 0.00 0.00 42.46 36.82 3pva s ILE 48 CO -0.05 0.31 1.04 0.21 -1.23 0.00 0.00 174.94 175.21 3pva s ASN 49 N 0.66 7.33 -0.20 3.58 3.84 -1.26 -0.20 114.94 128.69 3pva s ASN 49 Ca 0.29 1.84 -0.20 0.00 0.21 0.00 0.00 52.86 55.00 3pva s ASN 49 Cb -0.16 -2.58 -0.03 0.00 -0.55 0.00 0.00 41.25 37.93 3pva s ASN 49 CO 0.12 -0.24 0.60 0.54 -2.79 0.00 0.00 177.10 175.32 3pva s ASN 50 N 0.56 6.65 0.19 -4.21 4.22 -1.26 -4.90 114.94 116.20 3pva s ASN 50 Ca 0.52 0.79 -0.10 0.00 -2.14 0.00 0.00 52.86 51.93 3pva s ASN 50 Cb -0.25 -2.33 0.12 0.00 1.28 0.00 0.00 41.25 40.07 3pva s ASN 50 CO 0.30 -0.24 1.76 0.28 -2.04 0.00 0.00 177.10 177.16 3pva h SER 51 N 7.47 0.95 -3.27 3.54 0.02 -1.73 0.36 113.55 120.88 3pva h SER 51 Ca -0.32 -0.16 -0.64 0.00 -0.84 0.00 0.00 61.79 59.83 3pva h SER 51 Cb 1.15 -0.25 -0.12 0.00 0.14 0.00 0.00 62.40 63.32 3pva h SER 51 CO 0.76 0.85 -0.68 -0.31 -1.14 0.00 0.00 176.83 176.31 3pva s TYR 52 N -5.60 2.91 0.35 3.45 2.02 0.12 -4.58 117.35 116.02 3pva s TYR 52 Ca -0.13 -0.08 -0.23 0.00 -0.37 0.00 0.00 57.07 56.27 3pva s TYR 52 Cb 0.14 -1.48 -0.10 0.00 -0.40 0.00 0.00 41.96 40.12 3pva s TYR 52 CO 0.81 0.48 0.91 0.00 -1.57 0.00 0.00 175.55 176.18 3pva s ALA 53 N -1.40 3.17 0.06 3.71 0.00 -1.26 -4.38 121.76 121.67 3pva s ALA 53 Ca 0.25 0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.44 3pva s ALA 53 Cb -0.11 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 19.94 3pva s ALA 53 CO 0.18 0.18 0.43 -0.59 0.00 0.00 0.00 175.76 175.96 3pva s PHE 54 N -1.84 -0.28 0.03 0.00 -0.12 0.38 -1.83 117.98 114.32 3pva s PHE 54 Ca 0.54 0.18 0.05 0.00 -0.05 0.00 0.00 56.93 57.66 3pva s PHE 54 Cb -0.14 0.25 -0.02 0.00 -0.63 0.00 0.00 43.02 42.47 3pva s PHE 54 CO 0.19 -0.61 -0.16 0.54 -0.05 0.00 0.00 175.22 175.13 3pva s VAL 55 N -2.78 1.24 -0.65 -2.49 0.11 0.65 -0.07 120.40 116.41 3pva s VAL 55 Ca -0.03 -1.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.02 3pva s VAL 55 Cb -0.00 -1.10 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 3pva s VAL 55 CO -0.05 0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.42 3pva n GLY 56 N 1.99 -1.06 3.75 6.54 0.00 -0.88 -1.16 105.19 114.37 3pva n GLY 56 Ca -0.17 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.26 3.62 0.00 1.61 -2.45 -1.17 -0.73 119.30 119.92 3pva s MET 57 Ca 0.00 -0.25 0.00 0.00 -1.25 0.00 0.00 55.69 54.19 3pva s MET 57 Cb 0.00 -3.16 0.00 0.00 1.25 0.00 0.00 34.83 32.92 3pva s MET 57 CO 0.00 0.55 0.00 0.41 1.05 0.00 0.00 175.02 177.03 3pva n GLY 58 N 2.68 1.61 3.34 2.11 0.00 -1.05 0.75 105.19 114.63 3pva n GLY 58 Ca -0.18 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.53 3.00 -0.14 1.61 0.15 0.86 -2.33 113.70 116.31 3pva s SER 59 Ca 0.00 -0.70 0.16 0.00 0.70 0.00 0.00 55.95 56.11 3pva s SER 59 Cb 0.00 -0.20 0.44 0.00 -1.71 0.00 0.00 66.02 64.55 3pva s SER 59 CO 0.00 0.15 1.34 0.35 1.20 0.00 0.00 173.24 176.28 3pva n THR 60 N 1.13 2.01 0.79 6.45 -2.24 -1.26 -0.23 114.28 120.92 3pva n THR 60 Ca -0.18 -1.79 0.13 0.00 -2.27 0.00 0.00 64.05 59.94 3pva n THR 60 Cb 0.53 -0.12 0.50 0.00 -2.10 0.00 0.00 70.33 69.13 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 -0.51 0.47 -4.09 3.42 8.00 -1.26 -4.84 116.55 117.73 3pva n ASP 61 Ca 0.18 0.54 -0.24 0.00 0.71 0.00 0.00 54.79 55.99 3pva n ASP 61 Cb 0.77 -0.66 -0.04 0.00 -0.02 0.00 0.00 41.12 41.17 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 -1.94 0.00 -0.10 0.53 -5.35 -1.26 -5.01 119.36 106.23 3pva n ILE 62 Ca 0.06 -1.80 -0.09 0.00 -0.27 0.00 0.00 62.75 60.65 3pva n ILE 62 Cb 0.39 0.24 -0.06 0.00 -1.74 0.00 0.00 39.64 38.47 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 1.05 0.00 -2.50 7.28 2.02 -1.96 -3.41 112.91 115.38 3pva h THR 63 Ca -0.31 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.34 3pva h THR 63 Cb 0.98 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3pva h THR 63 CO 0.51 0.00 -0.48 -0.44 0.37 0.00 0.00 175.52 175.47 3pva s SER 64 N -4.19 6.12 0.19 4.18 0.01 -1.26 -5.00 113.70 113.75 3pva s SER 64 Ca -0.09 0.07 -0.33 0.00 1.31 0.00 0.00 55.95 56.91 3pva s SER 64 Cb 0.05 -1.77 -0.13 0.00 0.21 0.00 0.00 66.02 64.37 3pva s SER 64 CO 0.38 0.03 1.55 -2.65 0.41 0.00 0.00 173.24 172.96 3pva n PRO 65 N -0.69 2.22 -3.56 12.44 -0.02 -1.26 -4.87 135.00 139.26 3pva n PRO 65 Ca -0.08 0.80 -0.38 0.00 -2.02 0.00 0.00 63.50 61.82 3pva n PRO 65 Cb 0.55 -2.55 -0.11 0.00 -0.02 0.00 0.00 33.50 31.37 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 0.63 5.29 -0.09 -1.45 1.01 0.68 -4.82 120.40 121.65 3pva s VAL 66 Ca 0.75 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.93 3pva s VAL 66 Cb -0.64 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 3pva s VAL 66 CO 0.41 0.23 -0.03 -0.76 0.00 0.00 0.00 175.10 174.96 3pva s LEU 67 N 1.80 3.38 -0.04 3.92 1.02 -1.26 -0.10 118.68 127.40 3pva s LEU 67 Ca 0.08 0.04 -0.01 0.00 0.02 0.00 0.00 54.13 54.26 3pva s LEU 67 Cb -0.16 -1.77 -0.26 0.00 0.02 0.00 0.00 46.19 44.02 3pva s LEU 67 CO 0.11 0.34 0.67 1.88 0.02 0.00 0.00 176.35 179.37 3pva h TYR 68 N 5.47 0.36 -3.00 0.29 0.05 -0.04 -3.42 116.97 116.67 3pva h TYR 68 Ca -0.47 -0.26 0.01 0.00 0.05 0.00 0.00 58.73 58.06 3pva h TYR 68 Cb 1.18 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.90 3pva h TYR 68 CO 0.59 1.41 0.26 0.16 -1.05 0.00 0.00 178.16 179.53 3pva s ASP 69 N -6.79 -0.08 0.00 3.88 1.47 -1.22 -0.01 116.67 113.91 3pva s ASP 69 Ca -0.12 -0.97 0.00 0.00 1.18 0.00 0.00 52.55 52.64 3pva s ASP 69 Cb 0.07 0.81 0.00 0.00 -0.34 0.00 0.00 42.92 43.46 3pva s ASP 69 CO 0.82 -1.58 0.00 0.61 0.68 0.00 0.00 175.17 175.70 3pva n GLY 70 N -0.51 1.68 3.39 2.12 0.00 -0.66 -3.02 105.19 108.19 3pva n GLY 70 Ca -0.07 -1.26 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.96 2.13 0.67 1.61 1.01 -0.31 -2.25 120.40 121.31 3pva s VAL 71 Ca 0.00 -2.00 -0.00 0.00 0.00 0.00 0.00 61.98 59.98 3pva s VAL 71 Cb 0.00 -2.01 0.10 0.00 0.00 0.00 0.00 36.38 34.47 3pva s VAL 71 CO 0.00 -0.21 0.93 0.20 0.00 0.00 0.00 175.10 176.02 3pva s ASN 72 N -2.70 4.62 0.09 3.32 0.02 -0.85 -0.25 114.94 119.18 3pva s ASN 72 Ca 0.19 -0.26 0.25 0.00 -1.02 0.00 0.00 52.86 52.01 3pva s ASN 72 Cb -0.07 -0.25 0.50 0.00 0.02 0.00 0.00 41.25 41.44 3pva s ASN 72 CO 0.09 -1.66 1.43 -1.84 0.02 0.00 0.00 177.10 175.14 3pva n GLU 73 N -2.70 0.19 0.00 -0.60 0.28 -0.76 -2.88 120.64 114.17 3pva n GLU 73 Ca 0.13 0.07 0.11 0.00 -0.16 0.00 0.00 57.16 57.31 3pva n GLU 73 Cb 0.60 -1.64 0.13 0.00 1.43 0.00 0.00 31.44 31.97 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 -1.92 0.04 -0.31 3.44 4.01 -1.26 -4.98 118.16 117.17 3pva n LYS 74 Ca 0.04 -0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 3pva n LYS 74 Cb 0.40 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.43 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 1.49 0.72 3.74 0.72 0.00 -1.14 -4.73 105.19 105.99 3pva n GLY 75 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 4.58 0.11 0.99 2.96 -1.26 -3.01 118.68 123.06 3pva s LEU 76 Ca 0.00 1.94 0.09 0.00 -0.22 0.00 0.00 54.13 55.94 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 0.03 -0.22 -0.04 -1.32 0.00 0.00 176.35 174.80 3pva s MET 77 N -0.78 1.18 0.10 1.98 -1.94 0.22 -2.00 119.30 118.07 3pva s MET 77 Ca 0.44 -1.21 -0.26 0.00 -1.71 0.00 0.00 55.69 52.95 3pva s MET 77 Cb -0.26 -1.49 0.08 0.00 2.01 0.00 0.00 34.83 35.17 3pva s MET 77 CO 0.32 0.35 1.09 0.20 -0.01 0.00 0.00 175.02 176.97 3pva s GLY 78 N -1.96 -0.20 -0.01 -0.03 0.00 -0.95 0.35 107.32 104.52 3pva s GLY 78 Ca 0.08 0.17 -0.29 0.00 0.00 0.00 0.00 44.72 44.68 3pva s GLY 78 CO 0.05 0.96 0.70 0.00 0.00 0.00 0.00 173.10 174.81 3pva s ALA 79 N -2.70 -1.75 -0.19 3.20 0.00 -0.58 -1.66 121.76 118.08 3pva s ALA 79 Ca 0.16 1.14 -0.13 0.00 0.00 0.00 0.00 51.96 53.13 3pva s ALA 79 Cb 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 3pva s ALA 79 CO 0.01 -0.47 0.29 -1.64 0.00 0.00 0.00 175.76 173.95 3pva s MET 80 N -1.85 4.19 0.15 0.00 -1.94 0.99 -2.26 119.30 118.58 3pva s MET 80 Ca -0.07 0.03 0.06 0.00 -1.71 0.00 0.00 55.69 54.01 3pva s MET 80 Cb -0.00 -3.48 -0.04 0.00 2.01 0.00 0.00 34.83 33.31 3pva s MET 80 CO 0.03 0.13 -0.14 -0.51 -0.01 0.00 0.00 175.02 174.52 3pva s LEU 81 N 0.83 2.47 0.63 -0.03 1.02 -0.74 -4.91 118.68 117.95 3pva s LEU 81 Ca 0.15 -0.90 -0.18 0.00 0.02 0.00 0.00 54.13 53.22 3pva s LEU 81 Cb -0.13 -0.59 -0.02 0.00 0.02 0.00 0.00 46.19 45.47 3pva s LEU 81 CO 0.05 -0.17 1.20 -0.47 0.02 0.00 0.00 176.35 176.98 3pva s TYR 82 N -2.53 2.34 -0.39 0.29 5.04 -1.26 -0.15 117.35 120.69 3pva s TYR 82 Ca 0.14 1.54 0.11 0.00 -2.44 0.00 0.00 57.07 56.42 3pva s TYR 82 Cb -0.03 -3.45 0.39 0.00 0.35 0.00 0.00 41.96 39.22 3pva s TYR 82 CO 0.04 -2.26 1.13 0.98 -1.34 0.00 0.00 175.55 174.10 3pva n TYR 83 N -1.92 -1.30 -1.60 4.97 9.36 -0.49 -4.19 117.16 121.99 3pva n TYR 83 Ca 0.13 -2.42 -0.42 0.00 3.32 0.00 0.00 57.90 58.51 3pva n TYR 83 Cb 0.50 0.85 0.01 0.00 -0.63 0.00 0.00 39.34 40.07 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 0.05 -0.11 2.98 0.00 -1.26 -1.55 120.51 120.46 3pva n ALA 84 Ca 0.05 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3pva n ALA 84 Cb 0.79 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.49 0.00 0.00 0.00 -1.04 -1.26 -4.61 114.28 106.88 3pva n THR 85 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3pva n THR 85 Cb 0.39 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 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 -1.69 -1.42 3.72 -1.03 -5.03 117.46 110.00 3pva n PHE 86 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 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 n ALA 87 N -2.69 2.13 -3.71 4.37 0.00 -0.59 -4.04 120.51 115.98 3pva n ALA 87 Ca 0.00 0.34 -0.28 0.00 0.00 0.00 0.00 53.44 53.50 3pva n ALA 87 Cb 0.47 -2.55 -0.17 0.00 0.00 0.00 0.00 19.45 17.21 3pva n ALA 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3pva s THR 88 N 2.31 1.39 0.07 0.00 2.01 0.14 -4.93 115.64 116.63 3pva s THR 88 Ca 0.81 -0.57 0.07 0.00 0.31 0.00 0.00 61.69 62.31 3pva s THR 88 Cb -0.52 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 3pva s THR 88 CO 0.37 0.42 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.29 3pva s TYR 89 N 1.11 2.69 0.76 4.92 2.02 -1.26 -4.58 117.35 123.00 3pva s TYR 89 Ca -0.05 -0.18 -0.11 0.00 -0.37 0.00 0.00 57.07 56.36 3pva s TYR 89 Cb -0.14 -1.46 0.06 0.00 -0.40 0.00 0.00 41.96 40.01 3pva s TYR 89 CO -0.03 0.36 1.13 0.00 -1.57 0.00 0.00 175.55 175.44 3pva s ALA 90 N -1.09 2.80 -0.08 3.71 0.00 -0.87 -4.52 121.76 121.71 3pva s ALA 90 Ca 0.18 -0.60 -0.12 0.00 0.00 0.00 0.00 51.96 51.43 3pva s ALA 90 Cb -0.11 -2.93 -0.28 0.00 0.00 0.00 0.00 23.12 19.80 3pva s ALA 90 CO 0.10 -1.46 0.56 -0.44 0.00 0.00 0.00 175.76 174.52 3pva h ASP 91 N -0.87 0.49 -3.95 0.00 3.32 -1.96 -0.73 116.42 112.73 3pva h ASP 91 Ca -0.46 -0.91 -0.50 0.00 0.02 0.00 0.00 57.03 55.19 3pva h ASP 91 Cb 1.30 -0.16 -0.19 0.00 0.22 0.00 0.00 39.33 40.50 3pva h ASP 91 CO 0.65 1.75 -0.79 -1.61 -1.72 0.00 0.00 179.24 177.51 3pva s GLU 92 N -2.54 1.13 0.63 3.56 0.41 -1.26 -4.74 118.70 115.89 3pva s GLU 92 Ca -0.19 -1.25 -0.18 0.00 -0.41 0.00 0.00 54.97 52.94 3pva s GLU 92 Cb 0.05 -1.20 -0.02 0.00 -1.78 0.00 0.00 34.13 31.19 3pva s GLU 92 CO 0.80 0.25 1.26 -2.30 -0.49 0.00 0.00 175.26 174.79 3pva n PRO 93 N 0.68 1.15 -1.84 0.39 -0.02 -1.26 -4.96 135.00 129.13 3pva n PRO 93 Ca -0.16 0.45 -0.33 0.00 -2.02 0.00 0.00 63.50 61.43 3pva n PRO 93 Cb 0.56 -2.49 0.04 0.00 -0.02 0.00 0.00 33.50 31.58 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 -3.25 2.93 -0.37 -0.52 -0.14 -1.26 -4.86 119.74 112.28 3pva s LYS 94 Ca 0.81 1.37 -0.41 0.00 -1.36 0.00 0.00 55.97 56.38 3pva s LYS 94 Cb -0.39 -1.97 -0.16 0.00 -1.68 0.00 0.00 37.83 33.63 3pva s LYS 94 CO 0.42 -1.15 1.86 0.36 -0.76 0.00 0.00 175.35 176.09 3pva n LYS 95 N -2.28 0.76 0.00 1.68 0.00 -1.26 -1.80 118.16 115.26 3pva n LYS 95 Ca 0.10 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.67 3pva n LYS 95 Cb 0.52 -1.97 0.00 0.00 -0.00 0.00 0.00 35.03 33.58 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 5.11 2.91 3.61 2.58 0.00 -1.26 -5.05 105.19 113.08 3pva n GLY 96 Ca 0.34 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 2.09 0.07 2.61 -4.23 -0.75 -5.02 115.64 110.42 3pva s THR 97 Ca 0.00 0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.57 3pva s THR 97 Cb 0.00 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 3pva s THR 97 CO 0.00 -0.04 0.09 -0.89 -0.54 0.00 0.00 174.62 173.24 3pva s THR 98 N -2.59 4.61 0.49 3.99 2.01 -0.22 -4.65 115.64 119.28 3pva s THR 98 Ca 0.67 -0.72 -0.20 0.00 0.31 0.00 0.00 61.69 61.75 3pva s THR 98 Cb -0.23 -3.22 -0.08 0.00 0.01 0.00 0.00 72.50 68.97 3pva s THR 98 CO 0.60 0.13 1.03 -0.83 -0.69 0.00 0.00 174.62 174.87 3pva s GLY 99 N -2.38 2.48 -0.01 4.40 0.00 -1.26 -0.52 107.32 110.03 3pva s GLY 99 Ca 0.30 0.58 0.01 0.00 0.00 0.00 0.00 44.72 45.60 3pva s GLY 99 CO 0.22 0.90 -0.02 -1.50 0.00 0.00 0.00 173.10 172.70 3pva s ILE 100 N -2.02 0.20 0.16 0.90 2.07 0.86 -4.52 121.20 118.85 3pva s ILE 100 Ca 0.67 -0.06 -0.30 0.00 -1.41 0.00 0.00 60.65 59.55 3pva s ILE 100 Cb -0.16 -0.21 -0.07 0.00 0.13 0.00 0.00 42.46 42.14 3pva s ILE 100 CO 0.21 0.09 1.16 0.21 -1.91 0.00 0.00 174.94 174.69 3pva s ASN 101 N 0.26 7.16 0.55 4.50 3.84 0.06 -1.32 114.94 129.99 3pva s ASN 101 Ca -0.02 2.14 0.27 0.00 0.21 0.00 0.00 52.86 55.46 3pva s ASN 101 Cb -0.05 -2.60 1.45 0.00 -0.55 0.00 0.00 41.25 39.50 3pva s ASN 101 CO -0.01 -0.33 1.99 -0.65 -2.79 0.00 0.00 177.10 175.32 3pva h PRO 102 N 5.41 0.00 0.00 0.43 0.11 -1.87 0.11 132.00 136.19 3pva h PRO 102 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 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 0.75 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.82 3pva h VAL 103 N 0.00 0.00 -0.01 3.15 2.07 -1.92 -3.19 116.25 116.35 3pva h VAL 103 Ca 0.23 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3pva h VAL 103 Cb 0.99 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3pva h VAL 103 CO -0.00 0.00 -0.63 -1.22 0.02 0.00 0.00 177.57 175.74 3pva n TYR 104 N -2.94 0.00 -0.23 1.57 4.01 0.38 -4.51 117.16 115.44 3pva n TYR 104 Ca 0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.79 3pva n TYR 104 Cb 0.34 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.53 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 1.68 0.58 -0.37 -0.72 2.07 -1.58 -1.06 116.25 116.84 3pva h VAL 105 Ca 0.00 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 3pva h VAL 105 Cb 0.67 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3pva h VAL 105 CO 0.00 0.06 0.02 0.40 0.02 0.00 0.00 177.57 178.07 3pva h ILE 106 N 0.30 1.25 -0.49 4.57 1.08 -1.81 0.21 117.51 122.63 3pva h ILE 106 Ca 0.38 -0.94 -0.04 0.00 -0.39 0.00 0.00 64.86 63.87 3pva h ILE 106 Cb 0.61 1.13 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 3pva h ILE 106 CO -0.45 0.32 0.13 0.28 -0.69 0.00 0.00 178.15 177.73 3pva h SER 107 N 0.47 0.73 -0.43 1.72 0.02 -1.71 0.14 113.55 114.49 3pva h SER 107 Ca 0.11 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 3pva h SER 107 Cb 0.43 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 3pva h SER 107 CO 0.01 0.76 0.12 1.56 -1.14 0.00 0.00 176.83 178.15 3pva h GLN 108 N 0.66 0.68 -0.24 3.45 1.08 -1.06 -1.13 115.11 118.55 3pva h GLN 108 Ca 0.15 -0.15 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 3pva h GLN 108 Cb 0.31 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 3pva h GLN 108 CO -0.00 0.68 -0.04 0.28 -0.95 0.00 0.00 178.83 178.79 3pva h VAL 109 N 0.56 1.28 -0.46 -0.54 2.07 -0.35 -2.58 116.25 116.22 3pva h VAL 109 Ca 0.14 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 3pva h VAL 109 Cb 0.29 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3pva h VAL 109 CO -0.00 0.32 0.04 -0.07 0.02 0.00 0.00 177.57 177.88 3pva h LEU 110 N 0.20 0.69 -0.66 2.57 4.07 -0.73 -0.04 115.31 121.40 3pva h LEU 110 Ca 0.06 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.88 3pva h LEU 110 Cb 0.49 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.05 3pva h LEU 110 CO 0.02 0.73 0.00 1.23 -1.08 0.00 0.00 178.44 179.34 3pva h GLY 111 N 0.94 0.00 0.00 0.83 0.00 -1.13 -3.37 103.07 100.34 3pva h GLY 111 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3pva h GLY 111 CO 0.01 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.25 3pva n ASN 112 N -2.65 0.29 -4.60 0.19 3.02 -0.88 0.13 115.26 110.77 3pva n ASN 112 Ca 0.03 -0.86 -0.24 0.00 -0.03 0.00 0.00 54.58 53.47 3pva n ASN 112 Cb 0.35 0.06 -0.09 0.00 -0.61 0.00 0.00 39.78 39.49 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 -0.87 0.26 -3.66 0.00 0.31 -1.26 -4.78 118.33 108.32 3pva n VAL 114 Ca -0.05 -0.07 -0.22 0.00 -0.01 0.00 0.00 64.34 64.00 3pva n VAL 114 Cb 0.61 -1.51 -0.03 0.00 -0.91 0.00 0.00 33.84 32.00 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 -2.09 2.53 0.34 2.52 -4.23 -1.26 -4.31 115.64 109.14 3pva s THR 115 Ca -0.07 -1.40 0.03 0.00 -1.18 0.00 0.00 61.69 59.07 3pva s THR 115 Cb 0.02 -2.93 0.19 0.00 1.34 0.00 0.00 72.50 71.13 3pva s THR 115 CO 0.08 0.00 1.92 -0.37 -0.54 0.00 0.00 174.62 175.71 3pva h VAL 116 N 1.06 1.18 -0.65 2.29 -1.51 -1.95 -1.65 116.25 115.02 3pva h VAL 116 Ca -0.41 -0.60 -0.05 0.00 -1.23 0.00 0.00 66.70 64.40 3pva h VAL 116 Cb 1.27 0.68 -0.03 0.00 -2.13 0.00 0.00 31.29 31.07 3pva h VAL 116 CO 0.59 0.23 0.20 0.44 -1.23 0.00 0.00 177.57 177.80 3pva h ASP 117 N 0.65 0.95 -0.55 4.19 3.32 -1.98 -0.90 116.42 122.09 3pva h ASP 117 Ca 0.15 -0.21 0.08 0.00 0.02 0.00 0.00 57.03 57.08 3pva h ASP 117 Cb 0.18 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.41 3pva h ASP 117 CO -0.01 0.91 0.19 0.44 -1.72 0.00 0.00 179.24 179.05 3pva h ASP 118 N 0.95 0.17 0.10 6.45 3.32 -1.70 -0.17 116.42 125.53 3pva h ASP 118 Ca 0.21 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.35 3pva h ASP 118 Cb 0.30 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 3pva h ASP 118 CO -0.01 0.11 -0.23 0.58 -1.72 0.00 0.00 179.24 177.98 3pva h VAL 119 N 0.36 0.49 -0.66 -1.35 2.07 -0.94 0.21 116.25 116.43 3pva h VAL 119 Ca 0.27 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.83 3pva h VAL 119 Cb 0.33 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 3pva h VAL 119 CO -0.29 0.00 0.40 0.40 0.02 0.00 0.00 177.57 178.10 3pva h ILE 120 N -0.41 1.04 0.48 4.57 2.04 -0.69 -2.51 117.51 122.03 3pva h ILE 120 Ca 0.03 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3pva h ILE 120 Cb 0.44 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3pva h ILE 120 CO -0.14 0.14 -0.23 -0.08 0.00 0.00 0.00 178.15 177.84 3pva h GLU 121 N 0.76 -0.62 -0.84 2.37 4.81 -0.67 -3.18 114.58 117.21 3pva h GLU 121 Ca 0.28 0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.72 3pva h GLU 121 Cb 0.08 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.54 3pva h GLU 121 CO -0.13 -0.41 0.55 0.87 -0.73 0.00 0.00 179.01 179.16 3pva h LYS 122 N -0.64 0.45 0.00 1.92 1.79 -0.26 -1.73 116.57 118.09 3pva h LYS 122 Ca -0.06 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 3pva h LYS 122 Cb 0.49 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 3pva h LYS 122 CO 0.11 0.30 0.00 1.28 -1.08 0.00 0.00 179.45 180.05 3pva n LEU 123 N -4.51 0.43 0.23 2.94 4.32 -0.97 -3.33 117.00 116.11 3pva n LEU 123 Ca 0.17 0.57 0.16 0.00 -0.02 0.00 0.00 56.01 56.88 3pva n LEU 123 Cb 0.58 -0.47 0.62 0.00 -1.62 0.00 0.00 43.42 42.53 3pva n LEU 123 CO 0.31 -0.28 0.95 0.71 -1.22 0.00 0.00 177.39 177.87 3pva h THR 124 N 0.00 0.00 -0.67 -5.08 1.35 -1.39 -2.46 112.91 104.66 3pva h THR 124 Ca 0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3pva h THR 124 Cb 0.47 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 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 -2.81 3.83 -4.37 5.36 3.41 -1.21 -4.86 113.62 112.98 3pva n SER 125 Ca 0.01 -2.00 -0.19 0.00 -0.26 0.00 0.00 58.87 56.43 3pva n SER 125 Cb 0.28 -0.45 -0.10 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.10 1.77 -0.07 7.33 2.02 -0.93 -1.06 117.35 125.31 3pva s TYR 126 Ca 0.47 -0.60 -0.01 0.00 -0.37 0.00 0.00 57.07 56.55 3pva s TYR 126 Cb 0.25 -0.87 0.03 0.00 -0.40 0.00 0.00 41.96 40.97 3pva s TYR 126 CO 0.33 0.34 0.01 0.99 -1.57 0.00 0.00 175.55 175.65 3pva s THR 127 N -2.98 0.30 -0.02 -0.71 2.01 0.32 -4.80 115.64 109.76 3pva s THR 127 Ca 0.24 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.10 3pva s THR 127 Cb 0.00 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 3pva s THR 127 CO 0.08 0.24 1.48 -0.76 -0.69 0.00 0.00 174.62 174.96 3pva s LEU 128 N 2.00 4.31 0.22 4.42 1.02 -1.26 -0.10 118.68 129.30 3pva s LEU 128 Ca 0.05 2.15 0.08 0.00 0.02 0.00 0.00 54.13 56.43 3pva s LEU 128 Cb -0.12 -3.55 -0.04 0.00 0.02 0.00 0.00 46.19 42.49 3pva s LEU 128 CO -0.05 -0.79 0.03 -0.76 0.02 0.00 0.00 176.35 174.80 3pva s LEU 129 N 2.89 3.34 -1.40 1.79 1.43 -0.44 -2.04 118.68 124.26 3pva s LEU 129 Ca 0.66 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 53.20 3pva s LEU 129 Cb -0.32 -1.92 -0.07 0.00 0.03 0.00 0.00 46.19 43.90 3pva s LEU 129 CO 0.27 0.04 2.67 -3.20 0.23 0.00 0.00 176.35 176.36 3pva n ASN 130 N -0.58 7.38 -4.69 2.29 2.85 -0.28 -4.34 115.26 117.90 3pva n ASN 130 Ca -0.08 -2.51 -0.36 0.00 -0.11 0.00 0.00 54.58 51.52 3pva n ASN 130 Cb 0.57 -1.42 -0.09 0.00 1.24 0.00 0.00 39.78 40.08 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 2.61 4.12 0.92 1.20 2.12 -1.26 -4.92 118.70 123.49 3pva s GLU 131 Ca 0.60 -0.24 -0.16 0.00 0.36 0.00 0.00 54.97 55.54 3pva s GLU 131 Cb 0.16 -3.50 0.21 0.00 0.26 0.00 0.00 34.13 31.26 3pva s GLU 131 CO -0.05 0.15 1.22 0.00 -0.54 0.00 0.00 175.26 176.03 3pva n ALA 132 N 4.01 -1.51 -3.12 6.30 0.00 -1.26 -4.24 120.51 120.69 3pva n ALA 132 Ca -0.15 -1.60 -0.12 0.00 0.00 0.00 0.00 53.44 51.58 3pva n ALA 132 Cb 0.52 -0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 3pva n ALA 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3pva s ASN 133 N -5.43 -0.04 0.00 0.00 4.22 -1.24 -4.85 114.94 107.60 3pva s ASN 133 Ca 0.69 -0.07 0.12 0.00 -2.14 0.00 0.00 52.86 51.46 3pva s ASN 133 Cb -0.02 0.25 0.59 0.00 1.28 0.00 0.00 41.25 43.35 3pva s ASN 133 CO 0.49 -0.33 1.34 2.30 -2.04 0.00 0.00 177.10 178.86 3pva n ILE 134 N 1.68 0.84 -0.07 0.54 -5.35 -1.26 -0.28 119.36 115.47 3pva n ILE 134 Ca -0.21 0.21 -0.15 0.00 -0.27 0.00 0.00 62.75 62.33 3pva n ILE 134 Cb 0.56 -1.00 -0.13 0.00 -1.74 0.00 0.00 39.64 37.33 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 1.66 0.00 7.28 1.08 -1.95 -3.39 117.51 122.19 3pva h ILE 135 Ca 0.00 -2.34 -0.25 0.00 -0.39 0.00 0.00 64.86 61.87 3pva h ILE 135 Cb 0.15 3.23 -0.05 0.00 -3.07 0.00 0.00 36.82 37.08 3pva h ILE 135 CO 0.00 0.58 -2.03 0.18 -0.69 0.00 0.00 178.15 176.19 3pva n LEU 136 N -4.55 0.30 0.00 1.44 7.99 -1.19 -4.98 117.00 116.02 3pva n LEU 136 Ca -0.13 0.14 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3pva n LEU 136 Cb 0.53 0.28 0.00 0.00 -0.11 0.00 0.00 43.42 44.12 3pva n LEU 136 CO 0.33 0.33 0.00 0.61 -1.51 0.00 0.00 177.39 177.15 3pva n GLY 137 N 1.57 0.75 3.59 -0.72 0.00 0.62 -5.01 105.19 105.99 3pva n GLY 137 Ca -0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.60 0.39 -0.44 1.61 -0.12 -1.24 -4.70 117.98 110.88 3pva s PHE 138 Ca 0.00 -0.76 -0.22 0.00 -0.05 0.00 0.00 56.93 55.90 3pva s PHE 138 Cb 0.00 0.19 0.02 0.00 -0.63 0.00 0.00 43.02 42.60 3pva s PHE 138 CO 0.00 -1.01 0.75 0.00 -0.05 0.00 0.00 175.22 174.91 3pva s ALA 139 N -3.94 3.31 0.40 1.99 0.00 -1.26 -3.67 121.76 118.60 3pva s ALA 139 Ca 0.23 -1.04 -0.27 0.00 0.00 0.00 0.00 51.96 50.87 3pva s ALA 139 Cb -0.01 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 3pva s ALA 139 CO 0.10 -1.87 1.47 -1.25 0.00 0.00 0.00 175.76 174.21 3pva s PRO 140 N 3.16 3.95 -0.15 0.00 0.04 -1.26 -4.94 135.00 135.80 3pva s PRO 140 Ca 0.28 2.54 -0.29 0.00 0.04 0.00 0.00 61.00 63.56 3pva s PRO 140 Cb -0.13 -2.86 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 3pva s PRO 140 CO 0.22 -0.65 1.50 -1.25 0.04 0.00 0.00 177.00 176.85 3pva s PRO 141 N -2.23 4.07 0.08 0.56 0.04 -1.26 -4.95 135.00 131.31 3pva s PRO 141 Ca 0.56 1.81 0.02 0.00 0.04 0.00 0.00 61.00 63.42 3pva s PRO 141 Cb -0.46 -3.92 -0.04 0.00 0.04 0.00 0.00 34.50 30.12 3pva s PRO 141 CO 0.61 -0.95 -0.07 -0.51 0.04 0.00 0.00 177.00 176.12 3pva s LEU 142 N 4.22 2.42 0.30 -3.56 1.02 -1.26 -1.40 118.68 120.42 3pva s LEU 142 Ca 0.66 -0.84 0.04 0.00 0.02 0.00 0.00 54.13 54.01 3pva s LEU 142 Cb -0.26 -0.12 -0.06 0.00 0.02 0.00 0.00 46.19 45.77 3pva s LEU 142 CO 0.24 -0.36 0.03 -1.38 0.02 0.00 0.00 176.35 174.90 3pva s HIS 143 N -2.80 1.87 0.07 0.29 -3.43 0.79 -4.50 115.29 107.58 3pva s HIS 143 Ca 0.04 -0.92 0.04 0.00 -0.80 0.00 0.00 55.06 53.43 3pva s HIS 143 Cb -0.00 -1.17 -0.03 0.00 -1.43 0.00 0.00 32.58 29.95 3pva s HIS 143 CO -0.03 0.03 -0.12 0.71 -2.00 0.00 0.00 174.74 173.33 3pva s TYR 144 N -3.30 1.07 -0.00 0.38 2.02 -0.18 -1.79 117.35 115.54 3pva s TYR 144 Ca 0.34 -0.48 0.02 0.00 -0.37 0.00 0.00 57.07 56.58 3pva s TYR 144 Cb 0.07 -0.60 -0.01 0.00 -0.40 0.00 0.00 41.96 41.02 3pva s TYR 144 CO 0.14 0.02 -0.07 -0.08 -1.57 0.00 0.00 175.55 173.98 3pva s THR 145 N -1.38 0.56 0.01 -0.71 -1.32 -0.96 -1.16 115.64 110.68 3pva s THR 145 Ca -0.04 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 3pva s THR 145 Cb -0.10 -0.48 -0.01 0.00 -1.51 0.00 0.00 72.50 70.40 3pva s THR 145 CO 0.02 0.14 -0.02 -0.36 -2.21 0.00 0.00 174.62 172.19 3pva s PHE 146 N -0.21 0.16 -0.04 9.09 0.08 -1.02 -1.52 117.98 124.51 3pva s PHE 146 Ca 0.02 -0.23 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 3pva s PHE 146 Cb -0.03 -0.11 0.03 0.00 -0.57 0.00 0.00 43.02 42.34 3pva s PHE 146 CO -0.00 -0.08 0.07 0.99 -0.10 0.00 0.00 175.22 176.10 3pva s THR 147 N -0.64 -0.12 1.13 0.64 2.01 0.15 -0.98 115.64 117.83 3pva s THR 147 Ca -0.07 0.40 -0.13 0.00 0.31 0.00 0.00 61.69 62.21 3pva s THR 147 Cb -0.04 -0.16 0.26 0.00 0.01 0.00 0.00 72.50 72.57 3pva s THR 147 CO -0.00 0.17 1.04 -1.81 -0.69 0.00 0.00 174.62 173.33 3pva s ASP 148 N 2.08 1.32 0.37 3.53 1.01 -0.65 0.71 116.67 125.04 3pva s ASP 148 Ca 0.03 1.45 0.13 0.00 0.71 0.00 0.00 52.55 54.87 3pva s ASP 148 Cb -0.12 -2.21 0.71 0.00 1.01 0.00 0.00 42.92 42.31 3pva s ASP 148 CO -0.03 -3.98 1.82 0.00 0.21 0.00 0.00 175.17 173.19 3pva h ALA 149 N -2.47 1.37 0.00 5.23 0.00 -1.81 0.00 119.26 121.59 3pva h ALA 149 Ca -0.60 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3pva h ALA 149 Cb 1.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3pva h ALA 149 CO 0.52 0.47 0.00 0.66 0.00 0.00 0.00 179.25 180.90 3pva h SER 150 N 0.00 0.00 0.00 0.00 4.64 -1.92 -3.41 113.55 112.86 3pva h SER 150 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3pva h SER 150 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3pva h SER 150 CO 0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 3pva n GLY 151 N 0.20 0.58 3.73 -0.77 0.00 -0.01 -5.03 105.19 103.88 3pva n GLY 151 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.98 4.67 0.01 1.61 2.12 -1.26 -4.83 118.70 120.04 3pva s GLU 152 Ca 0.00 1.47 0.08 0.00 0.36 0.00 0.00 54.97 56.87 3pva s GLU 152 Cb 0.00 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 3pva s GLU 152 CO 0.00 0.16 -0.24 -1.12 -0.54 0.00 0.00 175.26 173.52 3pva s SER 153 N 0.16 2.80 0.30 -1.70 0.01 -1.26 -1.63 113.70 112.38 3pva s SER 153 Ca 0.48 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 57.29 3pva s SER 153 Cb -0.23 -0.28 -0.06 0.00 0.21 0.00 0.00 66.02 65.65 3pva s SER 153 CO 0.30 0.26 0.06 0.27 0.41 0.00 0.00 173.24 174.54 3pva s ILE 154 N -0.66 1.02 -0.04 1.44 -4.36 -0.15 -2.10 121.20 116.35 3pva s ILE 154 Ca 0.09 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.48 3pva s ILE 154 Cb -0.09 -2.72 0.03 0.00 1.25 0.00 0.00 42.46 40.93 3pva s ILE 154 CO 0.00 -0.03 0.00 -0.69 0.24 0.00 0.00 174.94 174.47 3pva s VAL 155 N -3.42 0.23 -0.20 8.37 1.01 -0.93 -2.44 120.40 123.01 3pva s VAL 155 Ca 0.36 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 3pva s VAL 155 Cb 0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 36.38 36.12 3pva s VAL 155 CO 0.14 0.18 -0.08 -0.63 0.00 0.00 0.00 175.10 174.72 3pva s ILE 156 N 1.33 3.09 -0.20 2.22 1.01 -0.31 -0.90 121.20 127.44 3pva s ILE 156 Ca -0.05 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.02 3pva s ILE 156 Cb -0.13 -2.38 0.03 0.00 0.01 0.00 0.00 42.46 39.99 3pva s ILE 156 CO -0.02 0.46 -0.17 -1.61 0.00 0.00 0.00 174.94 173.60 3pva s GLU 157 N 1.33 2.68 -1.16 2.79 2.02 0.76 -1.02 118.70 126.12 3pva s GLU 157 Ca 0.04 -0.94 -0.21 0.00 0.02 0.00 0.00 54.97 53.88 3pva s GLU 157 Cb -0.14 -2.61 0.01 0.00 0.10 0.00 0.00 34.13 31.49 3pva s GLU 157 CO -0.04 -0.32 1.77 -1.25 0.02 0.00 0.00 175.26 175.43 3pva s PRO 158 N 1.26 3.29 0.70 0.39 0.04 -1.26 0.07 135.00 139.49 3pva s PRO 158 Ca 0.01 -1.35 -0.08 0.00 0.04 0.00 0.00 61.00 59.62 3pva s PRO 158 Cb -0.15 -5.35 0.05 0.00 0.04 0.00 0.00 34.50 29.09 3pva s PRO 158 CO -0.10 -2.89 1.03 -0.51 0.04 0.00 0.00 177.00 174.56 3pva s ASP 159 N 5.54 4.91 0.25 6.66 1.01 -0.67 0.29 116.67 134.66 3pva s ASP 159 Ca 0.59 0.57 -0.03 0.00 0.71 0.00 0.00 52.55 54.39 3pva s ASP 159 Cb 0.00 -1.25 0.41 0.00 1.01 0.00 0.00 42.92 43.09 3pva s ASP 159 CO 0.05 -1.56 1.83 0.50 0.21 0.00 0.00 175.17 176.20 3pva h LYS 160 N -0.61 0.90 -0.11 8.23 3.64 -1.88 0.13 116.57 126.86 3pva h LYS 160 Ca -0.45 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3pva h LYS 160 Cb 1.31 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3pva h LYS 160 CO 0.61 0.59 0.00 0.25 -2.27 0.00 0.00 179.45 178.64 3pva n THR 161 N -4.66 0.14 0.00 1.00 -2.24 -1.26 -5.02 114.28 102.24 3pva n THR 161 Ca 0.15 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3pva n THR 161 Cb 0.26 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.75 1.05 3.69 3.38 0.00 0.44 -4.99 105.19 109.50 3pva n GLY 162 Ca 0.07 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 3pva n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pva s ILE 163 N -1.17 2.57 -0.15 -0.61 -1.09 -1.26 -1.67 121.20 117.82 3pva s ILE 163 Ca 0.00 0.03 -0.05 0.00 -2.23 0.00 0.00 60.65 58.40 3pva s ILE 163 Cb 0.00 -3.02 -0.03 0.00 -1.58 0.00 0.00 42.46 37.83 3pva s ILE 163 CO 0.00 -0.00 0.02 -0.89 -1.23 0.00 0.00 174.94 172.84 3pva s THR 164 N 2.95 4.42 -0.10 2.92 2.01 0.11 -4.91 115.64 123.03 3pva s THR 164 Ca 0.82 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.65 3pva s THR 164 Cb -0.46 -2.94 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 3pva s THR 164 CO 0.37 0.52 -0.11 -0.63 -0.69 0.00 0.00 174.62 174.07 3pva s ILE 165 N -0.02 3.25 -0.20 1.82 -1.09 -1.26 -0.17 121.20 123.53 3pva s ILE 165 Ca 0.04 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 57.85 3pva s ILE 165 Cb -0.13 -2.34 0.02 0.00 -1.58 0.00 0.00 42.46 38.43 3pva s ILE 165 CO 0.02 0.55 -0.15 -1.00 -1.23 0.00 0.00 174.94 173.12 3pva s HIS 166 N -0.10 2.89 0.04 3.97 3.76 -0.08 -4.99 115.29 120.78 3pva s HIS 166 Ca -0.01 -1.61 -0.04 0.00 -0.15 0.00 0.00 55.06 53.25 3pva s HIS 166 Cb -0.14 -1.96 -0.05 0.00 1.11 0.00 0.00 32.58 31.54 3pva s HIS 166 CO 0.03 -0.77 0.26 1.03 -0.85 0.00 0.00 174.74 174.44 3pva s ARG 167 N 1.30 3.53 -0.31 1.40 0.52 -1.26 -2.20 118.95 121.93 3pva s ARG 167 Ca 0.03 -0.21 -0.14 0.00 -0.52 0.00 0.00 55.73 54.89 3pva s ARG 167 Cb -0.14 -3.03 0.02 0.00 0.52 0.00 0.00 34.95 32.32 3pva s ARG 167 CO -0.10 0.61 0.34 0.36 0.02 0.00 0.00 175.30 176.53 3pva n LYS 168 N 0.70 -0.95 -1.23 3.54 2.85 -0.89 -4.96 118.16 117.22 3pva n LYS 168 Ca -0.08 0.62 -0.09 0.00 -1.05 0.00 0.00 58.31 57.72 3pva n LYS 168 Cb 0.52 -1.09 0.05 0.00 -0.65 0.00 0.00 35.03 33.86 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 1.51 0.58 -2.24 -1.01 -4.98 114.28 107.51 3pva n THR 169 Ca -0.09 -0.53 0.14 0.00 -2.27 0.00 0.00 64.05 61.30 3pva n THR 169 Cb 0.37 -1.29 0.76 0.00 -2.10 0.00 0.00 70.33 68.07 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 -2.01 0.06 -2.31 2.28 -5.35 -1.26 -4.76 119.36 106.00 3pva n ILE 170 Ca 0.06 0.01 -0.01 0.00 -0.27 0.00 0.00 62.75 62.55 3pva n ILE 170 Cb 0.21 -0.56 0.00 0.00 -1.74 0.00 0.00 39.64 37.56 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 0.99 0.67 3.00 3.28 0.00 -1.26 -4.88 105.19 106.99 3pva n GLY 171 Ca 0.16 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.59 0.47 -0.29 1.61 1.01 -1.26 -1.27 120.40 118.08 3pva s VAL 172 Ca 0.01 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 3pva s VAL 172 Cb -0.00 -0.46 0.14 0.00 0.00 0.00 0.00 36.38 36.05 3pva s VAL 172 CO 0.01 -0.11 0.92 -0.32 0.00 0.00 0.00 175.10 175.60 3pva s MET 173 N -0.78 0.42 0.00 2.72 1.75 0.13 -4.95 119.30 118.59 3pva s MET 173 Ca -0.03 0.81 0.00 0.00 -1.25 0.00 0.00 55.69 55.21 3pva s MET 173 Cb -0.06 0.22 0.00 0.00 2.84 0.00 0.00 34.83 37.84 3pva s MET 173 CO 0.00 -0.10 0.00 0.25 -0.65 0.00 0.00 175.02 174.52 3pva n THR 174 N 4.19 0.00 -2.14 10.11 -2.24 -1.26 0.62 114.28 123.56 3pva n THR 174 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3pva n THR 174 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 0.31 -4.73 3.42 4.13 -1.26 -4.72 115.26 112.42 3pva n ASN 175 Ca 0.00 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.95 3pva n ASN 175 Cb 0.00 0.00 0.12 0.00 -1.54 0.00 0.00 39.78 38.36 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 3.90 0.00 6.41 0.01 -1.26 -4.73 113.70 118.99 3pva s SER 176 Ca 0.00 2.03 0.00 0.00 1.31 0.00 0.00 55.95 59.29 3pva s SER 176 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 3pva s SER 176 CO 0.00 -2.45 0.00 -0.81 0.41 0.00 0.00 173.24 170.39 3pva n PRO 177 N -3.64 2.78 -1.59 12.44 -0.04 -1.26 -4.40 135.00 139.28 3pva n PRO 177 Ca 0.11 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.22 3pva n PRO 177 Cb 0.52 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.06 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 -0.16 2.46 0.17 0.55 0.00 -1.26 -4.85 107.32 104.23 3pva s GLY 178 Ca 0.00 0.91 -0.16 0.00 0.00 0.00 0.00 44.72 45.47 3pva s GLY 178 CO 0.00 1.32 1.68 -1.82 0.00 0.00 0.00 173.10 174.28 3pva h TYR 179 N 0.03 -0.12 -0.93 1.90 3.20 -1.98 -0.76 116.97 118.30 3pva h TYR 179 Ca -0.48 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.49 3pva h TYR 179 Cb 1.30 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 39.62 3pva h TYR 179 CO 0.47 -0.13 0.60 1.49 -1.64 0.00 0.00 178.16 178.95 3pva h GLU 180 N 0.05 1.00 0.04 1.82 4.81 -1.99 -1.05 114.58 119.26 3pva h GLU 180 Ca 0.21 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3pva h GLU 180 Cb 0.31 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3pva h GLU 180 CO -0.39 0.66 -0.11 2.35 -0.73 0.00 0.00 179.01 180.80 3pva h TRP 181 N 1.03 -0.28 -0.71 0.92 7.01 -1.50 -1.47 115.95 120.96 3pva h TRP 181 Ca 0.41 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.40 3pva h TRP 181 Cb 0.25 0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.40 3pva h TRP 181 CO -0.00 -0.17 0.38 0.45 -2.79 0.00 0.00 178.44 176.31 3pva h HIS 182 N -0.21 0.98 -0.71 2.65 3.86 -1.20 -0.14 115.15 120.38 3pva h HIS 182 Ca 0.03 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.16 3pva h HIS 182 Cb 0.24 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 3pva h HIS 182 CO -0.15 0.70 0.22 0.37 0.86 0.00 0.00 177.93 179.93 3pva h GLN 183 N 0.98 1.10 -0.71 2.45 4.15 -1.02 -1.64 115.11 120.41 3pva h GLN 183 Ca 0.25 -0.23 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 3pva h GLN 183 Cb 0.05 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 3pva h GLN 183 CO -0.04 0.94 0.25 1.15 -1.93 0.00 0.00 178.83 179.20 3pva h THR 184 N 1.04 1.25 -0.89 2.39 2.02 -0.99 -2.95 112.91 114.77 3pva h THR 184 Ca 0.23 -0.84 0.12 0.00 0.77 0.00 0.00 66.41 66.70 3pva h THR 184 Cb 0.30 0.46 -0.07 0.00 -1.74 0.00 0.00 68.15 67.10 3pva h THR 184 CO -0.01 0.33 0.57 -1.13 0.37 0.00 0.00 175.52 175.66 3pva h ASN 185 N 1.03 0.73 -1.06 4.18 -0.00 -0.10 -1.80 115.58 118.56 3pva h ASN 185 Ca 0.23 0.03 0.31 0.00 -0.00 0.00 0.00 56.30 56.88 3pva h ASN 185 Cb 0.26 -0.11 -0.13 0.00 -0.00 0.00 0.00 38.32 38.34 3pva h ASN 185 CO -0.01 0.39 0.64 -0.07 -0.00 0.00 0.00 177.43 178.38 3pva h LEU 186 N 0.78 0.49 -1.65 0.34 3.38 -1.22 -1.79 115.31 115.65 3pva h LEU 186 Ca 0.44 0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.65 3pva h LEU 186 Cb 0.58 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 3pva h LEU 186 CO -0.20 -0.03 0.40 0.03 0.09 0.00 0.00 178.44 178.73 3pva h ARG 187 N 0.36 0.38 0.00 1.13 3.08 -1.48 -1.26 114.38 116.59 3pva h ARG 187 Ca 0.69 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.72 3pva h ARG 187 Cb 1.67 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.64 3pva h ARG 187 CO -0.47 0.25 0.00 0.00 -1.07 0.00 0.00 179.97 178.68 3pva h ALA 188 N 1.70 1.00 -0.14 0.04 0.00 -1.50 -3.22 119.26 117.13 3pva h ALA 188 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3pva h ALA 188 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3pva h ALA 188 CO -0.08 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.83 3pva n TYR 189 N -2.57 0.40 0.25 0.00 4.02 -0.48 -4.74 117.16 114.04 3pva n TYR 189 Ca 0.01 -0.81 0.13 0.00 -0.01 0.00 0.00 57.90 57.23 3pva n TYR 189 Cb 0.23 -0.17 0.66 0.00 -0.02 0.00 0.00 39.34 40.04 3pva n TYR 189 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 176.86 175.01 3pva h ILE 190 N 0.94 0.00 -0.00 -0.72 3.07 -1.56 -1.07 117.51 118.16 3pva h ILE 190 Ca 0.00 -0.08 0.00 0.00 1.55 0.00 0.00 64.86 66.33 3pva h ILE 190 Cb 1.04 0.72 0.00 0.00 -0.27 0.00 0.00 36.82 38.32 3pva h ILE 190 CO 0.08 0.00 -0.03 0.61 -1.05 0.00 0.00 178.15 177.76 3pva n GLY 191 N -0.89 -1.06 3.55 0.16 0.00 -1.26 -4.68 105.19 101.01 3pva n GLY 191 Ca -0.01 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.38 3.71 0.34 1.61 1.01 -0.41 -4.78 120.40 119.50 3pva s VAL 192 Ca 0.34 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.61 3pva s VAL 192 Cb 0.21 -4.85 -0.05 0.00 0.00 0.00 0.00 36.38 31.69 3pva s VAL 192 CO 0.44 -1.78 0.08 0.42 0.00 0.00 0.00 175.10 174.26 3pva s THR 193 N 5.97 0.94 0.05 3.92 -4.23 -0.31 -4.92 115.64 117.06 3pva s THR 193 Ca 0.39 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.23 3pva s THR 193 Cb -0.07 -2.65 0.38 0.00 1.34 0.00 0.00 72.50 71.49 3pva s THR 193 CO 0.13 0.00 1.96 -0.65 -0.54 0.00 0.00 174.62 175.52 3pva h PRO 194 N 2.07 0.00 -6.21 3.99 0.11 -1.94 -3.14 132.00 126.88 3pva h PRO 194 Ca -0.39 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.14 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 0.65 0.00 -0.13 -0.80 -0.21 0.00 0.00 178.00 177.51 3pva s ASN 195 N -5.55 6.82 0.49 -2.05 -0.87 -1.26 -4.71 114.94 107.80 3pva s ASN 195 Ca 0.01 1.02 -0.22 0.00 -1.57 0.00 0.00 52.86 52.11 3pva s ASN 195 Cb 0.09 -2.27 -0.07 0.00 -0.02 0.00 0.00 41.25 38.98 3pva s ASN 195 CO 0.53 0.18 1.16 -2.16 -2.57 0.00 0.00 177.10 174.24 3pva s PRO 196 N -1.66 3.62 0.52 -0.60 0.04 -1.26 -3.39 135.00 132.27 3pva s PRO 196 Ca 0.33 1.74 -0.20 0.00 0.04 0.00 0.00 61.00 62.90 3pva s PRO 196 Cb -0.16 -2.29 -0.06 0.00 0.04 0.00 0.00 34.50 32.03 3pva s PRO 196 CO 0.18 -0.66 1.14 -1.25 0.04 0.00 0.00 177.00 176.45 3pva s PRO 197 N -2.87 3.47 0.67 0.56 0.04 -1.26 -4.90 135.00 130.71 3pva s PRO 197 Ca 0.66 1.66 -0.15 0.00 0.04 0.00 0.00 61.00 63.21 3pva s PRO 197 Cb -0.28 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.15 3pva s PRO 197 CO 0.33 -0.76 1.13 -0.65 0.04 0.00 0.00 177.00 177.09 3pva s GLN 198 N -3.12 2.67 0.57 4.56 -0.21 -1.26 -4.92 119.66 117.95 3pva s GLN 198 Ca 0.70 1.48 -0.18 0.00 0.02 0.00 0.00 55.36 57.39 3pva s GLN 198 Cb -0.25 -1.93 -0.04 0.00 1.00 0.00 0.00 33.01 31.79 3pva s GLN 198 CO 0.29 -1.37 1.09 -0.51 -2.12 0.00 0.00 175.29 172.68 3pva s ASP 199 N -2.42 5.68 0.45 5.90 1.01 -1.26 -5.00 116.67 121.03 3pva s ASP 199 Ca 0.69 2.01 0.03 0.00 0.71 0.00 0.00 52.55 55.98 3pva s ASP 199 Cb -0.22 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.13 3pva s ASP 199 CO 0.42 -1.24 0.10 0.27 0.21 0.00 0.00 175.17 174.93 3pva s ILE 200 N -2.11 0.68 0.11 0.77 -4.36 -1.00 -5.02 121.20 110.27 3pva s ILE 200 Ca 0.68 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 59.13 3pva s ILE 200 Cb -0.20 -2.23 -0.04 0.00 1.25 0.00 0.00 42.46 41.24 3pva s ILE 200 CO 0.32 0.00 -0.14 -0.04 0.24 0.00 0.00 174.94 175.32 3pva s MET 201 N -3.73 0.99 -0.36 0.37 -1.94 -1.26 -1.97 119.30 111.40 3pva s MET 201 Ca 0.17 -1.20 0.00 0.00 -1.71 0.00 0.00 55.69 52.94 3pva s MET 201 Cb 0.01 -0.86 0.12 0.00 2.01 0.00 0.00 34.83 36.11 3pva s MET 201 CO 0.11 0.17 0.16 -1.64 -0.01 0.00 0.00 175.02 173.81 3pva s MET 202 N -2.59 0.83 6.03 2.03 -1.94 -0.36 -4.95 119.30 118.36 3pva s MET 202 Ca 0.07 -1.38 0.00 0.00 -1.71 0.00 0.00 55.69 52.68 3pva s MET 202 Cb -0.05 -1.93 0.00 0.00 2.01 0.00 0.00 34.83 34.86 3pva s MET 202 CO 0.03 -1.08 0.00 0.41 -0.01 0.00 0.00 175.02 174.37 3pva n GLY 203 N 4.33 1.45 0.85 -0.03 0.00 -1.26 -0.29 105.19 110.24 3pva n GLY 203 Ca 0.03 0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.37 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 11.40 2.82 -4.67 1.61 8.00 -1.26 -4.95 116.55 129.51 3pva n ASP 204 Ca 0.00 -1.86 -0.41 0.00 0.71 0.00 0.00 54.79 53.23 3pva n ASP 204 Cb 0.00 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 40.99 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 -1.57 4.17 -0.10 0.64 0.20 0.61 -5.03 118.68 117.59 3pva s LEU 205 Ca 0.26 1.13 -0.24 0.00 0.69 0.00 0.00 54.13 55.96 3pva s LEU 205 Cb 0.17 -3.19 -0.03 0.00 -0.43 0.00 0.00 46.19 42.72 3pva s LEU 205 CO 0.26 -0.39 0.76 -1.81 -0.29 0.00 0.00 176.35 174.88 3pva s ASP 206 N 1.17 6.99 -0.17 3.68 1.01 -1.26 -1.23 116.67 126.86 3pva s ASP 206 Ca 0.37 1.20 0.01 0.00 0.71 0.00 0.00 52.55 54.84 3pva s ASP 206 Cb -0.16 -2.44 0.01 0.00 1.01 0.00 0.00 42.92 41.34 3pva s ASP 206 CO 0.12 -0.23 -0.18 -0.76 0.21 0.00 0.00 175.17 174.34 3pva s LEU 207 N 1.31 2.28 0.06 1.23 1.43 -0.83 -5.00 118.68 119.17 3pva s LEU 207 Ca 0.38 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 3pva s LEU 207 Cb -0.18 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 3pva s LEU 207 CO 0.17 0.03 -0.07 0.28 0.23 0.00 0.00 176.35 176.98 3pva s THR 208 N 1.13 0.60 0.73 5.49 -1.32 -1.26 -2.38 115.64 118.63 3pva s THR 208 Ca 0.01 -1.42 -0.16 0.00 -1.21 0.00 0.00 61.69 58.91 3pva s THR 208 Cb -0.14 -1.04 0.00 0.00 -1.51 0.00 0.00 72.50 69.81 3pva s THR 208 CO -0.07 -0.58 0.89 -2.65 -2.21 0.00 0.00 174.62 170.00 3pva n PRO 209 N 0.86 0.42 0.24 7.08 -0.02 -1.26 -4.89 135.00 137.43 3pva n PRO 209 Ca -0.19 0.20 0.07 0.00 -2.02 0.00 0.00 63.50 61.56 3pva n PRO 209 Cb 0.57 -2.15 0.57 0.00 -0.02 0.00 0.00 33.50 32.47 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 0.00 0.00 6.00 0.04 -2.04 -3.46 116.94 117.13 3pva h PHE 210 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 3pva h PHE 210 Cb 1.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.48 3pva h PHE 210 CO 0.39 0.09 0.00 0.41 -0.60 0.00 0.00 178.31 178.61 3pva n GLY 211 N -1.27 -0.50 3.78 -1.45 0.00 -1.26 -5.16 105.19 99.33 3pva n GLY 211 Ca -0.03 0.61 -0.27 0.00 0.00 0.00 0.00 46.02 46.33 3pva n GLY 211 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3pva s GLN 212 N 2.09 2.21 0.00 1.61 1.11 -1.26 -4.85 119.66 120.58 3pva s GLN 212 Ca 0.00 -2.03 0.00 0.00 0.01 0.00 0.00 55.36 53.34 3pva s GLN 212 Cb 0.00 -1.89 0.00 0.00 -1.01 0.00 0.00 33.01 30.11 3pva s GLN 212 CO 0.00 -0.29 0.00 0.41 0.01 0.00 0.00 175.29 175.42 3pva n GLY 213 N -1.36 2.51 0.27 3.09 0.00 -1.26 -4.97 105.19 103.46 3pva n GLY 213 Ca -0.05 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.14 3pva n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pva h ALA 214 N 0.00 1.00 0.00 4.61 0.00 -1.90 -2.80 119.26 120.17 3pva h ALA 214 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3pva h ALA 214 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3pva h ALA 214 CO 0.00 0.00 -0.00 0.78 0.00 0.00 0.00 179.25 180.03 3pva h GLY 215 N 0.81 0.00 0.42 0.00 0.00 -1.71 -1.00 103.07 101.59 3pva h GLY 215 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3pva h GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3pva n GLY 216 N -1.13 -0.62 3.70 4.60 0.00 -1.06 -1.16 105.19 109.52 3pva n GLY 216 Ca -0.03 -0.29 -0.61 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.55 1.77 0.00 0.99 7.94 -0.38 -1.51 117.00 125.27 3pva n LEU 217 Ca 0.21 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.24 3pva n LEU 217 Cb 0.20 -1.04 0.00 0.00 0.53 0.00 0.00 43.42 43.11 3pva n LEU 217 CO 0.17 -0.72 0.00 0.61 -1.11 0.00 0.00 177.39 176.34 3pva n GLY 218 N 3.81 1.62 3.74 -3.96 0.00 -1.26 -4.66 105.19 104.47 3pva n GLY 218 Ca 0.27 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 4.36 0.23 0.99 0.20 -0.57 -4.96 118.68 118.94 3pva s LEU 219 Ca 0.00 2.84 -0.29 0.00 0.69 0.00 0.00 54.13 57.37 3pva s LEU 219 Cb 0.00 -3.62 -0.09 0.00 -0.43 0.00 0.00 46.19 42.05 3pva s LEU 219 CO 0.00 -0.88 0.92 -2.16 -0.29 0.00 0.00 176.35 173.94 3pva s PRO 220 N 0.12 4.82 0.00 0.98 0.04 -1.26 -4.98 135.00 134.72 3pva s PRO 220 Ca 0.66 1.45 0.24 0.00 0.04 0.00 0.00 61.00 63.39 3pva s PRO 220 Cb -0.47 -3.27 0.33 0.00 0.04 0.00 0.00 34.50 31.13 3pva s PRO 220 CO 0.41 0.52 1.35 0.41 0.04 0.00 0.00 177.00 179.73 3pva n GLY 221 N 1.49 1.44 3.87 0.56 0.00 -1.26 -4.87 105.19 106.42 3pva n GLY 221 Ca -0.02 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.70 4.83 -0.18 1.61 1.47 -1.26 -5.01 116.67 116.43 3pva s ASP 222 Ca 0.35 1.03 0.14 0.00 1.18 0.00 0.00 52.55 55.24 3pva s ASP 222 Cb 0.22 -1.70 0.71 0.00 -0.34 0.00 0.00 42.92 41.81 3pva s ASP 222 CO 0.31 -1.73 1.59 0.49 0.68 0.00 0.00 175.17 176.52 3pva n PHE 223 N -3.24 1.71 -1.05 2.11 3.72 -1.26 -4.30 117.46 115.16 3pva n PHE 223 Ca 0.07 -0.61 -0.31 0.00 -0.05 0.00 0.00 57.45 56.55 3pva n PHE 223 Cb 0.58 -0.40 0.12 0.00 -0.94 0.00 0.00 39.48 38.85 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 -2.35 2.77 0.20 4.37 -4.23 -1.26 -4.72 115.64 110.42 3pva s THR 224 Ca 0.48 0.26 -0.11 0.00 -1.18 0.00 0.00 61.69 61.13 3pva s THR 224 Cb 0.35 -2.56 0.13 0.00 1.34 0.00 0.00 72.50 71.77 3pva s THR 224 CO 0.17 -0.32 1.87 -0.65 -0.54 0.00 0.00 174.62 175.14 3pva h PRO 225 N -1.37 0.90 -0.21 3.99 0.11 -1.93 0.12 132.00 133.60 3pva h PRO 225 Ca -0.44 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3pva h PRO 225 Cb 1.25 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3pva h PRO 225 CO 0.47 0.59 0.02 0.66 -0.21 0.00 0.00 178.00 179.53 3pva h SER 226 N 0.92 0.36 -0.31 -2.05 4.64 -1.91 0.16 113.55 115.36 3pva h SER 226 Ca 0.26 -0.28 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3pva h SER 226 Cb -0.08 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 3pva h SER 226 CO -0.06 0.55 0.19 0.00 -0.87 0.00 0.00 176.83 176.64 3pva h ALA 227 N 0.82 0.40 -0.80 5.18 0.00 -1.80 -1.41 119.26 121.65 3pva h ALA 227 Ca 0.06 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3pva h ALA 227 Cb 0.36 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3pva h ALA 227 CO 0.01 -0.11 0.53 0.00 0.00 0.00 0.00 179.25 179.68 3pva h ARG 228 N 0.41 1.00 -0.02 0.00 3.08 -0.58 -1.18 114.38 117.09 3pva h ARG 228 Ca 0.11 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.14 3pva h ARG 228 Cb -0.00 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 29.78 3pva h ARG 228 CO -0.02 0.66 -0.24 0.35 -1.07 0.00 0.00 179.97 179.65 3pva h PHE 229 N 1.03 -0.64 -0.49 3.04 3.04 0.15 -1.69 116.94 121.38 3pva h PHE 229 Ca 0.30 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.31 3pva h PHE 229 Cb -0.05 0.29 -0.04 0.00 2.56 0.00 0.00 35.95 38.71 3pva h PHE 229 CO -0.00 -0.33 0.27 -0.07 -2.02 0.00 0.00 178.31 176.16 3pva h LEU 230 N -0.36 0.42 -0.42 0.59 4.07 -0.53 -0.05 115.31 119.03 3pva h LEU 230 Ca 0.07 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 3pva h LEU 230 Cb 0.46 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 3pva h LEU 230 CO -0.23 0.29 0.20 0.03 -1.08 0.00 0.00 178.44 177.65 3pva h ARG 231 N 0.54 0.61 -0.45 1.13 3.08 -0.89 0.11 114.38 118.50 3pva h ARG 231 Ca 0.21 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 3pva h ARG 231 Cb 0.07 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3pva h ARG 231 CO -0.12 0.52 -0.10 0.28 -1.07 0.00 0.00 179.97 179.48 3pva h VAL 232 N 0.54 1.27 0.25 2.04 2.07 -1.02 -1.60 116.25 119.80 3pva h VAL 232 Ca 0.14 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 3pva h VAL 232 Cb 0.12 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3pva h VAL 232 CO -0.02 0.42 -0.12 0.00 0.02 0.00 0.00 177.57 177.87 3pva h ALA 233 N 0.87 -0.34 -0.65 1.67 0.00 -0.73 0.15 119.26 120.24 3pva h ALA 233 Ca 0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3pva h ALA 233 Cb 0.64 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3pva h ALA 233 CO 0.04 -0.59 0.21 1.88 0.00 0.00 0.00 179.25 180.79 3pva h TYR 234 N -0.54 1.05 0.00 0.00 0.05 -0.82 -0.28 116.97 116.43 3pva h TYR 234 Ca -0.03 -0.11 -0.07 0.00 0.05 0.00 0.00 58.73 58.57 3pva h TYR 234 Cb 0.40 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 3pva h TYR 234 CO -0.00 0.85 -0.32 -1.49 -1.05 0.00 0.00 178.16 176.15 3pva h TRP 235 N 0.95 0.00 -0.61 4.88 -0.00 -1.32 -2.07 115.95 117.78 3pva h TRP 235 Ca 0.21 0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 59.00 3pva h TRP 235 Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.43 3pva h TRP 235 CO 0.02 0.32 -0.00 -0.22 -0.00 0.00 0.00 178.44 178.55 3pva h LYS 236 N 0.00 1.08 -0.68 0.49 3.64 -0.08 -0.92 116.57 120.09 3pva h LYS 236 Ca -0.00 -0.35 -0.06 0.00 -1.27 0.00 0.00 60.65 58.97 3pva h LYS 236 Cb 0.95 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 3pva h LYS 236 CO 0.04 1.05 0.20 -0.22 -2.27 0.00 0.00 179.45 178.25 3pva h LYS 237 N 0.98 1.06 0.00 1.90 3.64 -0.63 -3.34 116.57 120.17 3pva h LYS 237 Ca 0.17 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3pva h LYS 237 Cb 0.57 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3pva h LYS 237 CO 0.03 0.93 -1.71 0.66 -2.27 0.00 0.00 179.45 177.08 3pva n TYR 238 N -4.31 0.00 -2.40 1.91 4.01 -0.82 -4.94 117.16 110.62 3pva n TYR 238 Ca 0.05 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.45 3pva n TYR 238 Cb 0.23 -0.37 -0.02 0.00 -0.31 0.00 0.00 39.34 38.87 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 -3.28 3.61 0.49 -0.72 -4.23 -0.36 -4.95 115.64 106.20 3pva s THR 239 Ca -0.04 0.97 -0.21 0.00 -1.18 0.00 0.00 61.69 61.22 3pva s THR 239 Cb 0.13 -3.39 -0.09 0.00 1.34 0.00 0.00 72.50 70.49 3pva s THR 239 CO 0.83 -0.25 0.83 -0.62 -0.54 0.00 0.00 174.62 174.86 3pva n GLU 240 N -1.20 0.95 -1.88 3.99 1.02 -1.26 -4.94 120.64 117.31 3pva n GLU 240 Ca 0.10 0.35 -0.41 0.00 -0.02 0.00 0.00 57.16 57.18 3pva n GLU 240 Cb 0.52 -1.92 -0.01 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.13 4.18 0.07 3.49 1.02 -1.26 -4.95 119.74 120.16 3pva s LYS 241 Ca 0.67 2.46 -0.31 0.00 0.02 0.00 0.00 55.97 58.82 3pva s LYS 241 Cb -0.51 -3.04 -0.06 0.00 -0.52 0.00 0.00 37.83 33.70 3pva s LYS 241 CO 0.54 -0.50 1.28 0.00 -0.92 0.00 0.00 175.35 175.75 3pva s ALA 242 N -0.41 3.48 -0.27 5.17 0.00 -1.26 -4.92 121.76 123.55 3pva s ALA 242 Ca 0.58 0.94 0.19 0.00 0.00 0.00 0.00 51.96 53.67 3pva s ALA 242 Cb -0.45 -3.49 0.15 0.00 0.00 0.00 0.00 23.12 19.33 3pva s ALA 242 CO 0.51 -0.55 1.45 0.87 0.00 0.00 0.00 175.76 178.04 3pva h LYS 243 N 6.91 0.00 0.00 0.00 1.57 -1.92 0.84 116.57 123.97 3pva h LYS 243 Ca -0.41 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 33.49 3pva h LYS 243 CO 0.84 0.26 0.06 0.27 -0.57 0.00 0.00 179.45 180.31 3pva n ASN 244 N -3.12 -1.63 -0.30 0.86 0.23 -1.26 -3.58 115.26 106.45 3pva n ASN 244 Ca 0.02 -2.55 -0.05 0.00 -0.53 0.00 0.00 54.58 51.47 3pva n ASN 244 Cb 0.65 2.84 0.08 0.00 -2.08 0.00 0.00 39.78 41.27 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 1.20 -0.47 -3.83 4.81 -1.98 -1.56 114.58 112.75 3pva h GLU 245 Ca -0.27 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 58.69 3pva h GLU 245 Cb 1.08 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 3pva h GLU 245 CO 0.35 0.95 0.03 1.15 -0.73 0.00 0.00 179.01 180.76 3pva h THR 246 N 1.18 1.26 -0.89 0.32 2.02 -1.99 -0.47 112.91 114.33 3pva h THR 246 Ca 0.28 -1.01 0.03 0.00 0.77 0.00 0.00 66.41 66.48 3pva h THR 246 Cb 0.18 0.98 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 3pva h THR 246 CO -0.03 0.35 0.58 -0.33 0.37 0.00 0.00 175.52 176.46 3pva h GLU 247 N 0.67 1.10 -0.35 6.66 5.08 -1.93 -1.10 114.58 124.71 3pva h GLU 247 Ca 0.14 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3pva h GLU 247 Cb 0.46 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 3pva h GLU 247 CO 0.02 0.73 0.14 0.78 -1.00 0.00 0.00 179.01 179.68 3pva h GLY 248 N 1.14 0.45 0.87 -3.84 0.00 -0.80 0.43 103.07 101.32 3pva h GLY 248 Ca 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 3pva h GLY 248 CO -0.11 0.05 0.06 -2.08 0.00 0.00 0.00 176.54 174.46 3pva h VAL 249 N 0.30 1.19 -0.11 4.60 2.07 -0.30 -0.84 116.25 123.16 3pva h VAL 249 Ca 0.15 -0.59 -0.17 0.00 0.82 0.00 0.00 66.70 66.91 3pva h VAL 249 Cb 0.11 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3pva h VAL 249 CO -0.14 0.18 -0.66 0.71 0.02 0.00 0.00 177.57 177.68 3pva h THR 250 N 0.15 1.36 -0.51 2.57 1.35 -0.81 -2.16 112.91 114.87 3pva h THR 250 Ca 0.06 -2.01 0.00 0.00 -0.55 0.00 0.00 66.41 63.92 3pva h THR 250 Cb 0.23 1.99 -0.02 0.00 -1.73 0.00 0.00 68.15 68.62 3pva h THR 250 CO -0.00 0.61 0.33 0.78 -0.25 0.00 0.00 175.52 176.99 3pva h ASN 251 N 0.31 0.58 -0.87 5.36 -0.26 -0.10 -1.39 115.58 119.22 3pva h ASN 251 Ca -0.02 -0.02 0.04 0.00 -0.56 0.00 0.00 56.30 55.74 3pva h ASN 251 Cb 1.22 -0.15 -0.05 0.00 -1.06 0.00 0.00 38.32 38.28 3pva h ASN 251 CO 0.12 0.43 0.55 -0.07 -1.06 0.00 0.00 177.43 177.40 3pva h LEU 252 N 0.68 0.91 -0.82 1.61 3.38 -0.89 -1.07 115.31 119.11 3pva h LEU 252 Ca 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3pva h LEU 252 Cb -0.07 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3pva h LEU 252 CO -0.04 0.61 -0.03 -0.26 0.09 0.00 0.00 178.44 178.81 3pva h PHE 253 N 1.06 0.00 0.14 1.13 0.04 -1.01 -2.12 116.94 116.18 3pva h PHE 253 Ca 0.36 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.86 3pva h PHE 253 Cb 0.05 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.23 3pva h PHE 253 CO -0.02 0.03 -1.12 0.45 -0.60 0.00 0.00 178.31 177.05 3pva h HIS 254 N 0.00 0.86 -0.38 -0.55 3.86 -0.52 -2.84 115.15 115.58 3pva h HIS 254 Ca -0.00 -0.57 -0.02 0.00 -1.16 0.00 0.00 60.37 58.62 3pva h HIS 254 Cb 0.74 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 3pva h HIS 254 CO 0.00 1.42 0.15 0.82 0.86 0.00 0.00 177.93 181.18 3pva h ILE 255 N 0.05 1.19 0.00 2.45 2.04 -1.15 -2.47 117.51 119.62 3pva h ILE 255 Ca -0.18 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3pva h ILE 255 Cb 1.83 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3pva h ILE 255 CO 0.21 0.21 0.00 0.18 0.00 0.00 0.00 178.15 178.75 3pva n LEU 256 N -4.67 0.00 0.23 1.44 4.77 -0.80 -2.43 117.00 115.54 3pva n LEU 256 Ca -0.01 0.44 0.14 0.00 -0.03 0.00 0.00 56.01 56.55 3pva n LEU 256 Cb 0.14 -0.44 0.36 0.00 -2.33 0.00 0.00 43.42 41.15 3pva n LEU 256 CO 0.37 -0.15 0.88 0.77 -1.33 0.00 0.00 177.39 177.92 3pva h SER 257 N 0.00 0.00 1.04 -1.43 4.64 -1.18 -0.65 113.55 115.97 3pva h SER 257 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3pva h SER 257 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3pva h SER 257 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 3pva n SER 258 N -3.05 0.46 -0.69 4.97 3.41 -1.02 -3.28 113.62 114.43 3pva n SER 258 Ca 0.03 0.57 0.06 0.00 -0.26 0.00 0.00 58.87 59.27 3pva n SER 258 Cb 0.45 -0.68 0.17 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.96 1.75 -3.24 -3.33 0.24 -0.28 -5.01 118.33 106.50 3pva n VAL 259 Ca 0.05 -2.68 -0.41 0.00 -2.04 0.00 0.00 64.34 59.26 3pva n VAL 259 Cb 0.32 -0.02 -0.08 0.00 -1.47 0.00 0.00 33.84 32.60 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 -2.94 6.34 -0.45 -1.34 2.47 -1.04 -4.94 114.94 113.05 3pva s ASN 260 Ca 0.36 0.11 -0.19 0.00 0.42 0.00 0.00 52.86 53.56 3pva s ASN 260 Cb 0.35 -2.27 0.03 0.00 -1.45 0.00 0.00 41.25 37.91 3pva s ASN 260 CO -0.07 -0.43 0.54 -0.63 -3.72 0.00 0.00 177.10 172.79 3pva s ILE 261 N 2.37 4.96 0.29 -5.21 1.01 -1.26 -4.97 121.20 118.40 3pva s ILE 261 Ca 0.19 -0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 3pva s ILE 261 Cb -0.15 -4.15 -0.10 0.00 0.01 0.00 0.00 42.46 38.07 3pva s ILE 261 CO 0.12 -0.56 1.37 -2.84 0.00 0.00 0.00 174.94 173.03 3pva s PRO 262 N 2.44 4.31 0.00 2.79 0.02 -1.26 -2.37 135.00 140.93 3pva s PRO 262 Ca 0.16 2.25 -0.36 0.00 0.02 0.00 0.00 61.00 63.07 3pva s PRO 262 Cb -0.17 -3.09 -0.15 0.00 0.02 0.00 0.00 34.50 31.11 3pva s PRO 262 CO 0.15 -0.30 1.61 1.63 -0.33 0.00 0.00 177.00 179.76 3pva n LYS 263 N 1.58 1.69 0.00 5.54 5.02 -1.26 -2.07 118.16 128.65 3pva n LYS 263 Ca 0.03 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 3pva n LYS 263 Cb 0.41 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.07 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 3.53 2.45 0.20 0.72 0.00 -1.26 -4.95 105.19 105.88 3pva n GLY 264 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 0.05 -3.29 1.61 -1.51 -1.75 -3.43 116.25 107.93 3pva h VAL 265 Ca 0.00 -1.07 -0.54 0.00 -1.23 0.00 0.00 66.70 63.86 3pva h VAL 265 Cb 0.00 1.97 -0.35 0.00 -2.13 0.00 0.00 31.29 30.78 3pva h VAL 265 CO 0.00 0.03 -0.82 -0.69 -1.23 0.00 0.00 177.57 174.86 3pva s VAL 266 N -3.21 1.24 0.06 7.19 1.01 -1.26 -5.08 120.40 120.35 3pva s VAL 266 Ca 0.06 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.65 3pva s VAL 266 Cb 0.06 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 3pva s VAL 266 CO 0.69 0.39 -0.26 -0.76 0.00 0.00 0.00 175.10 175.16 3pva s LEU 267 N 1.12 2.19 0.00 3.92 1.43 -1.26 -1.28 118.68 124.80 3pva s LEU 267 Ca -0.05 -0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 52.39 3pva s LEU 267 Cb -0.14 -1.25 0.06 0.00 0.03 0.00 0.00 46.19 44.89 3pva s LEU 267 CO -0.02 0.24 0.34 0.35 0.23 0.00 0.00 176.35 177.49 3pva n THR 268 N 1.64 0.00 0.02 5.49 -2.24 0.72 -4.86 114.28 115.04 3pva n THR 268 Ca -0.17 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.27 3pva n THR 268 Cb 0.52 -1.84 0.06 0.00 -2.10 0.00 0.00 70.33 66.97 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 -0.49 0.57 0.16 3.42 2.35 -2.02 -1.76 115.58 117.81 3pva h ASN 269 Ca -0.11 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3pva h ASN 269 Cb 0.31 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3pva h ASN 269 CO 0.08 1.01 0.00 -0.08 -1.65 0.00 0.00 177.43 176.79 3pva h GLU 270 N 0.39 0.00 0.00 0.81 4.57 -2.06 -3.45 114.58 114.84 3pva h GLU 270 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3pva h GLU 270 Cb 1.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 3pva h GLU 270 CO 0.10 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.34 3pva n GLY 271 N -0.92 0.68 3.79 1.92 0.00 -0.66 -5.04 105.19 104.96 3pva n GLY 271 Ca -0.02 -0.01 -0.36 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 -0.37 4.47 -0.09 1.61 3.01 -1.26 -4.66 119.74 122.44 3pva s LYS 272 Ca 0.00 1.27 -0.22 0.00 -1.01 0.00 0.00 55.97 56.00 3pva s LYS 272 Cb 0.00 -2.60 -0.04 0.00 -1.01 0.00 0.00 37.83 34.18 3pva s LYS 272 CO 0.00 0.18 0.65 -0.08 0.51 0.00 0.00 175.35 176.61 3pva s THR 273 N -1.80 5.07 -0.39 2.17 -1.32 -1.26 -0.20 115.64 117.90 3pva s THR 273 Ca 0.54 1.33 -0.16 0.00 -1.21 0.00 0.00 61.69 62.19 3pva s THR 273 Cb -0.16 -3.99 0.01 0.00 -1.51 0.00 0.00 72.50 66.85 3pva s THR 273 CO 0.20 0.24 0.35 -0.62 -2.21 0.00 0.00 174.62 172.59 3pva s ASP 274 N 0.82 6.14 0.15 8.08 2.15 -0.40 -4.09 116.67 129.52 3pva s ASP 274 Ca 0.34 -0.66 0.00 0.00 0.43 0.00 0.00 52.55 52.67 3pva s ASP 274 Cb -0.17 -2.19 -0.04 0.00 -0.30 0.00 0.00 42.92 40.22 3pva s ASP 274 CO 0.16 -0.45 0.03 -0.72 -0.17 0.00 0.00 175.17 174.01 3pva s TYR 275 N 1.90 1.04 -0.89 -5.34 1.13 -1.03 -4.34 117.35 109.82 3pva s TYR 275 Ca 0.09 -1.12 -0.25 0.00 -1.41 0.00 0.00 57.07 54.38 3pva s TYR 275 Cb -0.18 -0.59 0.02 0.00 -1.10 0.00 0.00 41.96 40.11 3pva s TYR 275 CO 0.12 -0.36 1.53 0.99 -2.51 0.00 0.00 175.55 175.32 3pva s THR 276 N -3.84 3.73 0.09 -3.49 2.01 -1.00 -2.17 115.64 110.97 3pva s THR 276 Ca 0.24 -0.29 -0.20 0.00 0.31 0.00 0.00 61.69 61.74 3pva s THR 276 Cb 0.07 -4.73 -0.09 0.00 0.01 0.00 0.00 72.50 67.75 3pva s THR 276 CO 0.03 -1.65 1.64 0.40 -0.69 0.00 0.00 174.62 174.35 3pva h ILE 277 N 6.69 1.15 -3.96 1.82 2.04 -1.24 -3.36 117.51 120.65 3pva h ILE 277 Ca 0.01 -0.44 -0.16 0.00 1.00 0.00 0.00 64.86 65.28 3pva h ILE 277 Cb 1.03 1.11 -0.10 0.00 -0.74 0.00 0.00 36.82 38.13 3pva h ILE 277 CO 1.33 0.14 -0.23 -0.72 0.00 0.00 0.00 178.15 178.67 3pva s TYR 278 N -5.61 0.72 -0.03 1.37 -0.85 -1.24 -1.11 117.35 110.60 3pva s TYR 278 Ca -0.14 -1.02 -0.00 0.00 -0.52 0.00 0.00 57.07 55.39 3pva s TYR 278 Cb 0.07 -0.03 0.03 0.00 0.38 0.00 0.00 41.96 42.41 3pva s TYR 278 CO 0.70 -0.97 0.04 0.99 -1.52 0.00 0.00 175.55 174.78 3pva s THR 279 N -3.74 -0.06 0.17 -3.49 2.01 0.88 -1.53 115.64 109.87 3pva s THR 279 Ca 0.28 0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.59 3pva s THR 279 Cb 0.01 -0.11 -0.05 0.00 0.01 0.00 0.00 72.50 72.36 3pva s THR 279 CO 0.13 0.12 -0.10 -0.94 -0.69 0.00 0.00 174.62 173.14 3pva s SER 280 N 1.36 1.95 0.01 3.53 1.04 -0.17 -0.72 113.70 120.70 3pva s SER 280 Ca -0.05 -1.04 -0.01 0.00 0.48 0.00 0.00 55.95 55.33 3pva s SER 280 Cb -0.13 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 65.95 3pva s SER 280 CO -0.03 -0.32 0.00 0.00 0.98 0.00 0.00 173.24 173.87 3pva s ALA 281 N -3.27 0.03 0.02 5.32 0.00 -0.22 -1.32 121.76 122.32 3pva s ALA 281 Ca 0.19 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.70 3pva s ALA 281 Cb 0.02 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 3pva s ALA 281 CO 0.03 -0.16 -0.03 -1.64 0.00 0.00 0.00 175.76 173.96 3pva s MET 282 N -1.32 0.29 -0.15 0.00 -1.94 -0.09 0.01 119.30 116.09 3pva s MET 282 Ca -0.14 -0.51 0.02 0.00 -1.71 0.00 0.00 55.69 53.34 3pva s MET 282 Cb -0.09 0.03 0.02 0.00 2.01 0.00 0.00 34.83 36.80 3pva s MET 282 CO -0.00 -0.02 -0.19 0.00 -0.01 0.00 0.00 175.02 174.79 3pva h ALA 284 N 7.65 0.70 0.03 0.00 0.00 -1.28 0.31 119.26 126.66 3pva h ALA 284 Ca -0.38 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.21 3pva h ALA 284 Cb 1.16 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3pva h ALA 284 CO 0.57 0.20 -1.01 1.96 0.00 0.00 0.00 179.25 180.97 3pva h GLN 285 N 0.73 0.38 0.00 0.00 1.08 -1.88 -3.28 115.11 112.13 3pva h GLN 285 Ca 0.19 -0.45 -0.02 0.00 -1.45 0.00 0.00 58.65 56.92 3pva h GLN 285 Cb 0.03 0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3pva h GLN 285 CO -0.03 1.13 -0.92 0.66 -0.95 0.00 0.00 178.83 178.72 3pva h SER 286 N 0.19 0.00 -2.10 1.46 4.64 -1.93 -3.48 113.55 112.33 3pva h SER 286 Ca -0.09 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.88 3pva h SER 286 Cb 1.67 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.71 3pva h SER 286 CO 0.17 0.07 -0.42 0.29 -0.87 0.00 0.00 176.83 176.08 3pva n LYS 287 N -2.76 -1.34 -3.25 4.77 4.01 0.10 -4.76 118.16 114.93 3pva n LYS 287 Ca -0.01 0.90 -0.32 0.00 -0.51 0.00 0.00 58.31 58.37 3pva n LYS 287 Cb 0.58 -5.31 -0.06 0.00 -0.51 0.00 0.00 35.03 29.74 3pva n LYS 287 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3pva s ASN 288 N -2.35 6.72 -0.14 4.39 0.02 -1.24 -2.61 114.94 119.74 3pva s ASN 288 Ca 0.00 1.14 0.01 0.00 -1.02 0.00 0.00 52.86 52.98 3pva s ASN 288 Cb 0.00 -2.31 0.02 0.00 0.02 0.00 0.00 41.25 38.98 3pva s ASN 288 CO 0.00 -0.14 -0.15 -0.47 0.02 0.00 0.00 177.10 176.36 3pva s TYR 289 N -1.89 2.13 0.08 2.20 5.04 0.14 -2.47 117.35 122.59 3pva s TYR 289 Ca 0.51 -1.15 0.07 0.00 -2.44 0.00 0.00 57.07 54.06 3pva s TYR 289 Cb -0.11 -1.56 -0.04 0.00 0.35 0.00 0.00 41.96 40.60 3pva s TYR 289 CO 0.19 -0.62 -0.10 0.71 -1.34 0.00 0.00 175.55 174.39 3pva s TYR 290 N 1.34 2.75 -0.11 4.97 1.51 0.10 -0.82 117.35 127.08 3pva s TYR 290 Ca 0.02 -0.15 -0.29 0.00 -1.01 0.00 0.00 57.07 55.63 3pva s TYR 290 Cb -0.13 -1.46 0.08 0.00 -0.11 0.00 0.00 41.96 40.33 3pva s TYR 290 CO -0.08 0.40 0.73 -0.59 -1.11 0.00 0.00 175.55 174.91 3pva s PHE 291 N -1.16 -0.65 0.10 2.71 -0.71 -0.51 -1.06 117.98 116.70 3pva s PHE 291 Ca 0.20 1.24 0.05 0.00 -1.04 0.00 0.00 56.93 57.38 3pva s PHE 291 Cb -0.11 0.38 -0.03 0.00 -1.21 0.00 0.00 43.02 42.05 3pva s PHE 291 CO 0.12 -0.52 -0.13 -1.59 -1.34 0.00 0.00 175.22 171.76 3pva s LYS 292 N -0.81 0.92 0.34 1.99 -2.85 0.10 -0.88 119.74 118.55 3pva s LYS 292 Ca -0.07 -1.13 0.08 0.00 -1.00 0.00 0.00 55.97 53.84 3pva s LYS 292 Cb -0.01 -0.80 -0.07 0.00 -2.06 0.00 0.00 37.83 34.89 3pva s LYS 292 CO 0.07 0.16 -0.05 -0.48 0.10 0.00 0.00 175.35 175.15 3pva s LEU 293 N -2.22 2.64 0.20 2.77 0.05 -1.11 -0.08 118.68 120.92 3pva s LEU 293 Ca 0.05 -1.25 -0.20 0.00 0.05 0.00 0.00 54.13 52.77 3pva s LEU 293 Cb -0.06 -0.81 0.15 0.00 -2.05 0.00 0.00 46.19 43.42 3pva s LEU 293 CO 0.02 -0.34 1.49 0.00 -0.55 0.00 0.00 176.35 176.97 3pva n TYR 294 N -0.76 -0.09 1.64 3.48 9.36 -0.27 -1.54 117.16 128.97 3pva n TYR 294 Ca -0.05 1.19 0.07 0.00 3.32 0.00 0.00 57.90 62.43 3pva n TYR 294 Cb 0.65 -0.78 0.31 0.00 -0.63 0.00 0.00 39.34 38.89 3pva n TYR 294 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3pva n ASP 295 N -5.35 0.69 -3.44 2.98 8.00 -1.26 -4.74 116.55 113.42 3pva n ASP 295 Ca 0.08 -1.72 -0.04 0.00 0.71 0.00 0.00 54.79 53.81 3pva n ASP 295 Cb 0.35 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.32 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 -1.35 -0.52 0.00 -2.24 3.04 -0.59 -2.36 114.94 110.93 3pva s ASN 296 Ca 0.21 0.83 0.29 0.00 0.04 0.00 0.00 52.86 54.24 3pva s ASN 296 Cb 0.11 1.63 1.33 0.00 -1.54 0.00 0.00 41.25 42.78 3pva s ASN 296 CO 0.17 -0.26 1.91 -1.54 -3.04 0.00 0.00 177.10 174.34 3pva n SER 297 N 5.40 0.58 -4.66 -4.21 3.41 -1.26 -2.75 113.62 110.12 3pva n SER 297 Ca -0.06 -0.85 -0.43 0.00 -0.26 0.00 0.00 58.87 57.28 3pva n SER 297 Cb 0.50 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 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 -2.28 4.25 0.16 4.33 3.52 -1.26 -4.95 118.95 122.72 3pva s ARG 298 Ca 0.35 1.69 -0.30 0.00 -0.13 0.00 0.00 55.73 57.34 3pva s ARG 298 Cb 0.21 -3.74 -0.07 0.00 -1.56 0.00 0.00 34.95 29.78 3pva s ARG 298 CO 0.43 -0.68 1.13 0.42 -0.81 0.00 0.00 175.30 175.79 3pva s ILE 299 N 3.33 3.83 0.04 4.11 1.01 -1.26 -4.62 121.20 127.63 3pva s ILE 299 Ca 0.56 1.53 0.09 0.00 0.00 0.00 0.00 60.65 62.82 3pva s ILE 299 Cb -0.23 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 3pva s ILE 299 CO 0.16 0.24 -0.24 -0.44 0.00 0.00 0.00 174.94 174.66 3pva s SER 300 N 0.11 3.31 0.01 3.58 0.01 -0.06 -4.93 113.70 115.73 3pva s SER 300 Ca 0.51 -0.55 0.06 0.00 1.31 0.00 0.00 55.95 57.29 3pva s SER 300 Cb -0.30 -0.37 -0.02 0.00 0.21 0.00 0.00 66.02 65.54 3pva s SER 300 CO 0.35 0.26 -0.19 0.00 0.41 0.00 0.00 173.24 174.07 3pva s ALA 301 N -0.82 1.62 -0.06 1.44 0.00 -1.26 -1.43 121.76 121.24 3pva s ALA 301 Ca 0.12 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.22 3pva s ALA 301 Cb -0.10 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 3pva s ALA 301 CO 0.03 0.38 -0.18 0.08 0.00 0.00 0.00 175.76 176.06 3pva s VAL 302 N -0.59 1.57 -0.21 0.00 1.01 -0.00 -4.99 120.40 117.18 3pva s VAL 302 Ca 0.07 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 3pva s VAL 302 Cb -0.08 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3pva s VAL 302 CO 0.00 0.45 0.10 -0.55 0.00 0.00 0.00 175.10 175.10 3pva s SER 303 N 0.19 5.75 0.02 3.32 0.15 -1.26 -0.68 113.70 121.18 3pva s SER 303 Ca -0.09 0.06 -0.22 0.00 0.70 0.00 0.00 55.95 56.40 3pva s SER 303 Cb -0.14 -2.01 -0.17 0.00 -1.71 0.00 0.00 66.02 61.99 3pva s SER 303 CO 0.04 0.11 1.32 0.25 1.20 0.00 0.00 173.24 176.16 3pva h LEU 304 N 7.19 0.23 -1.52 3.45 5.85 -1.80 -3.18 115.31 125.53 3pva h LEU 304 Ca -0.38 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 57.87 3pva h LEU 304 Cb 1.17 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3pva h LEU 304 CO 0.67 0.66 0.00 0.24 -0.34 0.00 0.00 178.44 179.67 3pva h MET 305 N -0.20 0.00 0.00 1.25 2.86 -1.86 -2.08 114.93 114.91 3pva h MET 305 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3pva h MET 305 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 3pva h MET 305 CO 0.02 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.99 3pva h ALA 306 N 2.07 1.00 -1.30 6.32 0.00 -1.96 -3.46 119.26 121.93 3pva h ALA 306 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 3pva h ALA 306 Cb 0.15 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.98 3pva h ALA 306 CO 0.00 0.00 -0.15 -1.21 0.00 0.00 0.00 179.25 177.89 3pva s GLU 307 N -3.24 2.53 -0.41 0.00 0.41 -0.78 -5.05 118.70 112.15 3pva s GLU 307 Ca 0.07 -1.27 -0.24 0.00 -0.41 0.00 0.00 54.97 53.12 3pva s GLU 307 Cb 0.10 -2.65 0.02 0.00 -1.78 0.00 0.00 34.13 29.82 3pva s GLU 307 CO 0.54 -0.61 0.84 1.21 -0.49 0.00 0.00 175.26 176.74 3pva s ASN 308 N -4.49 6.51 0.00 -0.19 2.47 -1.26 -4.90 114.94 113.08 3pva s ASN 308 Ca 0.58 0.19 0.24 0.00 0.42 0.00 0.00 52.86 54.29 3pva s ASN 308 Cb -0.08 -2.41 1.30 0.00 -1.45 0.00 0.00 41.25 38.60 3pva s ASN 308 CO 0.37 -0.88 1.79 0.18 -3.72 0.00 0.00 177.10 174.83 3pva n LEU 309 N 6.73 0.00 -0.90 3.21 4.77 -1.26 -1.82 117.00 127.74 3pva n LEU 309 Ca 0.04 0.15 0.08 0.00 -0.03 0.00 0.00 56.01 56.25 3pva n LEU 309 Cb 0.48 -0.15 0.22 0.00 -2.33 0.00 0.00 43.42 41.64 3pva n LEU 309 CO 0.58 -0.04 0.68 0.59 -1.33 0.00 0.00 177.39 177.88 3pva n ASN 310 N -1.15 3.38 -4.58 -1.43 4.13 -1.26 0.31 115.26 114.65 3pva n ASN 310 Ca 0.14 -2.10 -0.35 0.00 1.68 0.00 0.00 54.58 53.95 3pva n ASN 310 Cb 0.14 -0.34 0.10 0.00 -1.54 0.00 0.00 39.78 38.13 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 0.76 -0.03 0.08 6.41 7.64 -0.75 -4.88 113.62 122.84 3pva n SER 311 Ca 0.16 0.59 -0.11 0.00 1.01 0.00 0.00 58.87 60.53 3pva n SER 311 Cb 0.54 -1.37 -0.12 0.00 -1.01 0.00 0.00 64.21 62.25 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 -0.59 0.12 -6.23 1.43 1.08 -1.93 -3.44 115.11 105.55 3pva h GLN 312 Ca -0.46 -0.21 -0.48 0.00 -1.45 0.00 0.00 58.65 56.05 3pva h GLN 312 Cb 1.32 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.80 3pva h GLN 312 CO 0.44 1.09 -0.43 -0.51 -0.95 0.00 0.00 178.83 178.47 3pva s ASP 313 N -6.91 5.64 0.24 1.46 1.01 -1.26 -4.95 116.67 111.90 3pva s ASP 313 Ca -0.01 -0.30 -0.30 0.00 0.71 0.00 0.00 52.55 52.65 3pva s ASP 313 Cb 0.09 -1.23 -0.09 0.00 1.01 0.00 0.00 42.92 42.70 3pva s ASP 313 CO 0.85 -0.28 1.21 -0.76 0.21 0.00 0.00 175.17 176.39 3pva s LEU 314 N -4.01 4.47 -0.30 1.23 1.02 -1.26 -4.66 118.68 115.16 3pva s LEU 314 Ca 0.40 2.35 -0.09 0.00 0.02 0.00 0.00 54.13 56.81 3pva s LEU 314 Cb -0.08 -3.62 -0.00 0.00 0.02 0.00 0.00 46.19 42.51 3pva s LEU 314 CO 0.28 -0.36 0.13 -0.63 0.02 0.00 0.00 176.35 175.79 3pva s ILE 315 N -0.54 4.40 0.12 -0.59 1.01 -1.00 -4.95 121.20 119.65 3pva s ILE 315 Ca 0.50 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.75 3pva s ILE 315 Cb -0.34 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 3pva s ILE 315 CO 0.41 0.08 -0.12 0.42 0.00 0.00 0.00 174.94 175.73 3pva s THR 316 N 1.58 3.19 -0.12 2.92 -4.23 -1.26 0.29 115.64 118.01 3pva s THR 316 Ca 0.04 -1.41 -0.00 0.00 -1.18 0.00 0.00 61.69 59.14 3pva s THR 316 Cb -0.17 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.19 3pva s THR 316 CO 0.05 0.06 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.74 3pva s PHE 317 N -1.29 1.60 0.54 3.99 0.40 0.47 -4.98 117.98 118.71 3pva s PHE 317 Ca 0.21 -0.81 -0.16 0.00 -0.60 0.00 0.00 56.93 55.56 3pva s PHE 317 Cb -0.10 -1.29 -0.07 0.00 0.51 0.00 0.00 43.02 42.07 3pva s PHE 317 CO 0.13 -0.53 1.00 -2.00 0.70 0.00 0.00 175.22 174.52 3pva s GLU 318 N 1.62 3.80 0.23 0.44 2.56 -1.26 -0.01 118.70 126.07 3pva s GLU 318 Ca 0.04 1.00 -0.30 0.00 0.00 0.00 0.00 54.97 55.72 3pva s GLU 318 Cb -0.13 -2.11 -0.09 0.00 2.00 0.00 0.00 34.13 33.81 3pva s GLU 318 CO -0.08 -0.40 0.99 -1.58 -0.56 0.00 0.00 175.26 173.63 3pva s TRP 319 N -2.60 3.84 -0.64 5.30 0.52 -1.26 -4.88 118.94 119.22 3pva s TRP 319 Ca 0.60 1.83 -0.08 0.00 0.02 0.00 0.00 56.10 58.46 3pva s TRP 319 Cb -0.11 -3.08 0.17 0.00 -1.15 0.00 0.00 33.47 29.29 3pva s TRP 319 CO 0.33 0.12 0.51 0.34 0.02 0.00 0.00 176.95 178.27 3pva s ASP 320 N -0.87 5.86 0.00 2.95 2.15 -1.26 -4.94 116.67 120.55 3pva s ASP 320 Ca 0.43 -2.49 0.11 0.00 0.43 0.00 0.00 52.55 51.02 3pva s ASP 320 Cb -0.27 -2.02 0.63 0.00 -0.30 0.00 0.00 42.92 40.97 3pva s ASP 320 CO 0.34 -0.54 1.10 -1.14 -0.17 0.00 0.00 175.17 174.76 3pva n ARG 321 N 4.11 0.56 -3.51 4.34 3.00 -1.26 -4.77 116.66 119.12 3pva n ARG 321 Ca 0.04 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.57 3pva n ARG 321 Cb 0.41 -1.29 -0.05 0.00 0.00 0.00 0.00 32.46 31.53 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 3.75 -0.24 -0.14 -0.14 -1.26 -4.62 119.74 115.08 3pva s LYS 322 Ca 0.16 0.16 -0.29 0.00 -1.36 0.00 0.00 55.97 54.64 3pva s LYS 322 Cb 0.07 -2.76 -0.01 0.00 -1.68 0.00 0.00 37.83 33.45 3pva s LYS 322 CO 0.12 0.40 1.35 -1.14 -0.76 0.00 0.00 175.35 175.32 3pva s GLN 323 N -2.63 3.99 -1.47 1.68 2.00 -1.00 -4.48 119.66 117.75 3pva s GLN 323 Ca 0.43 1.45 -0.12 0.00 -2.00 0.00 0.00 55.36 55.12 3pva s GLN 323 Cb -0.12 -3.88 0.03 0.00 0.80 0.00 0.00 33.01 29.85 3pva s GLN 323 CO 0.22 -1.03 2.34 -3.47 -0.50 0.00 0.00 175.29 172.85 3pva n ASP 324 N 7.48 5.17 -4.73 6.67 -0.08 -1.26 -4.96 116.55 124.83 3pva n ASP 324 Ca 0.15 -2.83 -0.41 0.00 -1.51 0.00 0.00 54.79 50.19 3pva n ASP 324 Cb 0.46 -1.61 -0.03 0.00 2.34 0.00 0.00 41.12 42.28 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 2.48 3.41 -0.18 5.18 -1.09 -1.26 -4.88 121.20 124.86 3pva s ILE 325 Ca 0.51 1.12 -0.16 0.00 -2.23 0.00 0.00 60.65 59.89 3pva s ILE 325 Cb 0.14 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 3pva s ILE 325 CO -0.07 0.15 0.40 -0.75 -1.23 0.00 0.00 174.94 173.43 3pva s LYS 326 N 0.21 4.22 -0.17 2.79 2.20 -1.26 -5.04 119.74 122.68 3pva s LYS 326 Ca 0.57 0.23 -0.21 0.00 -0.36 0.00 0.00 55.97 56.20 3pva s LYS 326 Cb -0.35 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.44 3pva s LYS 326 CO 0.35 0.03 0.64 -0.65 -0.36 0.00 0.00 175.35 175.37 3pva s GLN 327 N 1.07 4.26 0.00 4.03 -0.21 -1.26 -4.93 119.66 122.63 3pva s GLN 327 Ca 0.20 0.67 0.01 0.00 0.02 0.00 0.00 55.36 56.26 3pva s GLN 327 Cb -0.14 -3.55 -0.26 0.00 1.00 0.00 0.00 33.01 30.06 3pva s GLN 327 CO 0.08 -0.17 0.85 -0.07 -2.12 0.00 0.00 175.29 173.85 3pva h LEU 328 N 7.88 0.27 0.00 2.90 4.07 -2.01 -3.48 115.31 124.94 3pva h LEU 328 Ca -0.33 -0.39 -0.21 0.00 0.08 0.00 0.00 57.88 57.02 3pva h LEU 328 Cb 1.15 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 42.76 3pva h LEU 328 CO 0.77 1.33 -0.19 -0.46 -1.08 0.00 0.00 178.44 178.82 3pva n ASN 329 N -3.36 0.53 -4.56 -0.43 6.94 -1.26 -5.06 115.26 108.05 3pva n ASN 329 Ca -0.15 -1.87 -0.36 0.00 -0.02 0.00 0.00 54.58 52.18 3pva n ASN 329 Cb 1.03 0.51 -0.04 0.00 -2.36 0.00 0.00 39.78 38.93 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 -2.59 3.24 0.93 -3.83 0.74 -1.26 -4.97 119.66 111.92 3pva s GLN 330 Ca 0.11 -0.88 -0.12 0.00 0.05 0.00 0.00 55.36 54.52 3pva s GLN 330 Cb 0.01 -5.27 0.15 0.00 1.10 0.00 0.00 33.01 29.00 3pva s GLN 330 CO 0.08 -2.64 1.11 0.08 -0.55 0.00 0.00 175.29 173.37 3pva s VAL 331 N 6.77 2.22 -0.35 1.34 1.01 -1.26 -4.96 120.40 125.16 3pva s VAL 331 Ca 0.55 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.68 3pva s VAL 331 Cb -0.02 -2.70 0.66 0.00 0.00 0.00 0.00 36.38 34.32 3pva s VAL 331 CO -0.06 -0.09 1.75 -3.20 0.00 0.00 0.00 175.10 173.50 3pva n ASN 332 N -3.90 3.89 -2.85 3.32 5.15 -1.26 -4.99 115.26 114.62 3pva n ASN 332 Ca 0.06 -3.46 -0.10 0.00 -0.60 0.00 0.00 54.58 50.47 3pva n ASN 332 Cb 0.58 -0.74 0.00 0.00 -0.53 0.00 0.00 39.78 39.09 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 -0.74 -1.24 -1.75 3.44 0.31 -1.26 -5.31 118.33 111.77 3pva n VAL 333 Ca 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.78 3pva n VAL 333 Cb 1.39 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 3pva n VAL 333 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31