#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bvz s LEU 2 N 0.00 6.14 0.53 4.03 1.43 -1.26 -4.92 118.68 124.64 1bvz s LEU 2 Ca 0.00 -2.14 0.32 0.00 -1.03 0.00 0.00 54.13 51.28 1bvz s LEU 2 Cb 0.00 -2.13 1.33 0.00 0.03 0.00 0.00 46.19 45.42 1bvz s LEU 2 CO 0.00 -0.70 1.97 -0.07 0.23 0.00 0.00 176.35 177.78 1bvz h LEU 3 N 8.34 0.00 -1.58 1.79 3.38 -2.01 -2.50 115.31 122.73 1bvz h LEU 3 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1bvz h LEU 3 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1bvz h LEU 3 CO 0.89 0.05 0.00 -1.84 0.09 0.00 0.00 178.44 177.63 1bvz n GLU 4 N -3.17 2.08 0.01 1.13 0.00 -1.26 -2.99 120.64 116.44 1bvz n GLU 4 Ca 0.00 -1.46 0.11 0.00 0.00 0.00 0.00 57.16 55.82 1bvz n GLU 4 Cb 0.32 -1.39 -0.13 0.00 0.00 0.00 0.00 31.44 30.23 1bvz n GLU 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bvz n ALA 5 N 0.61 3.17 -1.87 -1.84 0.00 -0.94 -5.05 120.51 114.58 1bvz n ALA 5 Ca 0.13 -0.50 -0.35 0.00 0.00 0.00 0.00 53.44 52.73 1bvz n ALA 5 Cb 0.39 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 18.97 1bvz n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bvz s ILE 6 N -3.39 4.37 -0.13 0.00 1.01 -1.16 -4.12 121.20 117.78 1bvz s ILE 6 Ca -0.04 1.55 -0.18 0.00 0.00 0.00 0.00 60.65 61.98 1bvz s ILE 6 Cb 0.14 -3.80 0.05 0.00 0.01 0.00 0.00 42.46 38.85 1bvz s ILE 6 CO 0.88 -0.05 0.47 0.12 0.00 0.00 0.00 174.94 176.36 1bvz s PHE 7 N -1.85 -0.48 -0.25 3.97 2.19 -0.44 -5.00 117.98 116.13 1bvz s PHE 7 Ca 0.54 1.07 -0.14 0.00 0.33 0.00 0.00 56.93 58.72 1bvz s PHE 7 Cb -0.14 0.19 0.07 0.00 -1.31 0.00 0.00 43.02 41.84 1bvz s PHE 7 CO 0.19 -0.33 0.61 -1.58 1.83 0.00 0.00 175.22 175.94 1bvz s HIS 8 N -0.25 -0.93 0.42 10.12 2.46 -1.26 -2.60 115.29 123.25 1bvz s HIS 8 Ca -0.04 1.89 -0.12 0.00 0.47 0.00 0.00 55.06 57.26 1bvz s HIS 8 Cb -0.03 0.52 -0.07 0.00 -0.13 0.00 0.00 32.58 32.87 1bvz s HIS 8 CO 0.03 -0.47 0.80 -1.21 -2.47 0.00 0.00 174.74 171.42 1bvz s GLU 9 N 1.52 3.82 -0.35 2.88 2.02 -1.26 -5.02 118.70 122.30 1bvz s GLU 9 Ca -0.09 0.56 0.00 0.00 0.02 0.00 0.00 54.97 55.46 1bvz s GLU 9 Cb -0.06 -2.35 0.32 0.00 0.10 0.00 0.00 34.13 32.15 1bvz s GLU 9 CO -0.17 -0.07 1.84 0.00 0.02 0.00 0.00 175.26 176.88 1bvz n ALA 10 N -1.30 5.01 -3.00 5.21 0.00 -1.26 -4.00 120.51 121.16 1bvz n ALA 10 Ca 0.03 -1.96 0.00 0.00 0.00 0.00 0.00 53.44 51.51 1bvz n ALA 10 Cb 0.54 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1bvz n ALA 10 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1bvz n LYS 11 N -0.17 0.00 0.00 0.00 2.85 -1.23 -4.74 118.16 114.87 1bvz n LYS 11 Ca 0.37 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.63 1bvz n LYS 11 Cb 0.84 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.22 1bvz n LYS 11 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1bvz n GLY 12 N 0.00 2.70 0.05 2.58 0.00 -1.22 -0.93 105.19 108.38 1bvz n GLY 12 Ca 0.00 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.75 1bvz n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bvz n SER 13 N 2.25 0.54 -0.00 1.61 7.64 -1.26 -3.96 113.62 120.43 1bvz n SER 13 Ca 0.00 0.30 0.08 0.00 1.01 0.00 0.00 58.87 60.27 1bvz n SER 13 Cb 0.00 -0.30 -0.11 0.00 -1.01 0.00 0.00 64.21 62.79 1bvz n SER 13 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1bvz n TYR 14 N -1.92 0.00 -3.66 1.43 4.02 -1.02 -4.66 117.16 111.34 1bvz n TYR 14 Ca 0.05 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.86 1bvz n TYR 14 Cb 0.40 -0.16 -0.09 0.00 -0.02 0.00 0.00 39.34 39.46 1bvz n TYR 14 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bvz s ALA 15 N -2.88 -1.28 0.14 -0.72 0.00 -0.11 -0.71 121.76 116.21 1bvz s ALA 15 Ca 0.01 1.66 -0.19 0.00 0.00 0.00 0.00 51.96 53.44 1bvz s ALA 15 Cb 0.12 -1.30 0.05 0.00 0.00 0.00 0.00 23.12 21.99 1bvz s ALA 15 CO 0.72 -0.66 0.49 1.52 0.00 0.00 0.00 175.76 177.84 1bvz s TYR 16 N 2.35 -0.36 0.28 0.00 -0.85 -0.02 -3.37 117.35 115.37 1bvz s TYR 16 Ca -0.04 0.09 -0.18 0.00 -0.52 0.00 0.00 57.07 56.43 1bvz s TYR 16 Cb -0.11 0.40 -0.09 0.00 0.38 0.00 0.00 41.96 42.54 1bvz s TYR 16 CO -0.14 -0.77 0.75 -2.14 -1.52 0.00 0.00 175.55 171.73 1bvz s PRO 17 N -3.78 4.14 0.00 -3.49 0.02 -1.26 -0.52 135.00 130.11 1bvz s PRO 17 Ca 0.02 0.80 0.05 0.00 0.02 0.00 0.00 61.00 61.89 1bvz s PRO 17 Cb 0.01 -2.63 0.03 0.00 0.02 0.00 0.00 34.50 31.92 1bvz s PRO 17 CO -0.12 0.26 0.58 0.44 -0.33 0.00 0.00 177.00 177.83 1bvz n ILE 18 N 0.14 0.00 -3.83 2.83 -5.35 -0.31 -4.51 119.36 108.33 1bvz n ILE 18 Ca 0.01 -0.48 -0.04 0.00 -0.27 0.00 0.00 62.75 61.96 1bvz n ILE 18 Cb 0.52 1.09 0.01 0.00 -1.74 0.00 0.00 39.64 39.52 1bvz n ILE 18 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1bvz s SER 19 N -0.58 -0.06 0.56 7.28 1.04 -1.24 -4.91 113.70 115.80 1bvz s SER 19 Ca 0.05 -0.68 0.25 0.00 0.48 0.00 0.00 55.95 56.05 1bvz s SER 19 Cb 0.04 0.57 1.57 0.00 0.10 0.00 0.00 66.02 68.31 1bvz s SER 19 CO 0.08 -1.12 2.15 -0.33 0.98 0.00 0.00 173.24 175.00 1bvz h GLU 20 N 2.00 0.00 0.00 4.02 5.08 -1.89 -2.84 114.58 120.94 1bvz h GLU 20 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1bvz h GLU 20 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1bvz h GLU 20 CO 0.33 0.00 -0.60 2.41 -1.00 0.00 0.00 179.01 180.15 1bvz n THR 21 N -4.07 0.20 -4.02 1.13 -1.04 -1.26 -4.40 114.28 100.83 1bvz n THR 21 Ca 0.00 -0.17 -0.22 0.00 -2.04 0.00 0.00 64.05 61.62 1bvz n THR 21 Cb 0.23 0.02 -0.17 0.00 -1.82 0.00 0.00 70.33 68.59 1bvz n THR 21 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1bvz s GLN 22 N -3.11 0.87 -0.23 -2.82 -0.21 -1.08 0.42 119.66 113.51 1bvz s GLN 22 Ca 0.08 -0.06 -0.06 0.00 0.02 0.00 0.00 55.36 55.33 1bvz s GLN 22 Cb 0.15 -0.99 -0.03 0.00 1.00 0.00 0.00 33.01 33.14 1bvz s GLN 22 CO 0.72 -0.17 0.04 -1.17 -2.12 0.00 0.00 175.29 172.58 1bvz s LEU 23 N 1.35 3.36 0.06 2.90 2.96 -0.29 -1.16 118.68 127.86 1bvz s LEU 23 Ca -0.04 -0.20 -0.27 0.00 -0.22 0.00 0.00 54.13 53.40 1bvz s LEU 23 Cb -0.13 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 1bvz s LEU 23 CO -0.03 0.01 0.83 -0.60 -1.32 0.00 0.00 176.35 175.25 1bvz s ARG 24 N 1.32 4.56 -0.09 1.98 3.52 0.32 -0.79 118.95 129.77 1bvz s ARG 24 Ca 0.05 1.19 -0.00 0.00 -0.13 0.00 0.00 55.73 56.84 1bvz s ARG 24 Cb -0.15 -3.38 0.02 0.00 -1.56 0.00 0.00 34.95 29.89 1bvz s ARG 24 CO 0.02 0.23 -0.06 0.54 -0.81 0.00 0.00 175.30 175.23 1bvz s VAL 25 N 0.07 0.80 0.05 7.11 0.11 -0.71 -0.84 120.40 126.98 1bvz s VAL 25 Ca 0.42 -0.18 0.05 0.00 -2.93 0.00 0.00 61.98 59.34 1bvz s VAL 25 Cb -0.21 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 1bvz s VAL 25 CO 0.25 0.32 -0.09 -0.60 -3.33 0.00 0.00 175.10 171.65 1bvz s ARG 26 N 1.55 2.36 0.01 1.54 3.52 0.12 -1.01 118.95 127.03 1bvz s ARG 26 Ca 0.01 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 54.75 1bvz s ARG 26 Cb -0.13 -2.40 -0.01 0.00 -1.56 0.00 0.00 34.95 30.85 1bvz s ARG 26 CO -0.05 0.56 -0.02 -1.17 -0.81 0.00 0.00 175.30 173.81 1bvz s LEU 27 N -1.73 2.06 -0.03 -0.88 2.96 0.18 -4.72 118.68 116.53 1bvz s LEU 27 Ca 0.19 -0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.01 1bvz s LEU 27 Cb -0.11 -0.05 -0.01 0.00 0.50 0.00 0.00 46.19 46.52 1bvz s LEU 27 CO 0.10 -0.05 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.28 1bvz s ARG 28 N -0.39 1.80 0.05 1.98 3.52 -1.07 -0.37 118.95 124.47 1bvz s ARG 28 Ca -0.03 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 1bvz s ARG 28 Cb -0.03 -1.65 -0.03 0.00 -1.56 0.00 0.00 34.95 31.68 1bvz s ARG 28 CO -0.00 0.37 -0.05 0.00 -0.81 0.00 0.00 175.30 174.81 1bvz s ALA 29 N -0.27 0.54 0.55 6.12 0.00 -0.38 -1.32 121.76 126.99 1bvz s ALA 29 Ca 0.03 -1.02 -0.21 0.00 0.00 0.00 0.00 51.96 50.76 1bvz s ALA 29 Cb -0.10 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 1bvz s ALA 29 CO 0.01 -0.23 1.28 0.21 0.00 0.00 0.00 175.76 177.03 1bvz s LYS 30 N -2.93 3.15 -0.32 0.00 2.20 -1.26 -0.00 119.74 120.58 1bvz s LYS 30 Ca -0.00 2.05 -0.29 0.00 -0.36 0.00 0.00 55.97 57.37 1bvz s LYS 30 Cb 0.00 -2.17 -0.01 0.00 -1.51 0.00 0.00 37.83 34.14 1bvz s LYS 30 CO -0.05 -1.12 1.68 0.21 -0.36 0.00 0.00 175.35 175.71 1bvz s LYS 31 N -3.01 3.49 0.00 4.03 2.20 0.32 -1.86 119.74 124.91 1bvz s LYS 31 Ca 0.73 1.40 0.00 0.00 -0.36 0.00 0.00 55.97 57.73 1bvz s LYS 31 Cb -0.36 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 31.83 1bvz s LYS 31 CO 0.41 -1.67 0.00 0.41 -0.36 0.00 0.00 175.35 174.14 1bvz n GLY 32 N 5.19 1.14 0.18 5.54 0.00 -1.26 -4.99 105.19 110.98 1bvz n GLY 32 Ca 0.21 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.32 1bvz n GLY 32 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bvz h ASP 33 N 0.00 0.00 -4.06 1.61 5.19 -1.75 -3.43 116.42 113.99 1bvz h ASP 33 Ca 0.00 0.00 -0.44 0.00 -0.62 0.00 0.00 57.03 55.97 1bvz h ASP 33 Cb 0.00 0.00 -0.29 0.00 0.18 0.00 0.00 39.33 39.22 1bvz h ASP 33 CO 0.00 0.16 -0.80 -0.69 -3.12 0.00 0.00 179.24 174.79 1bvz s VAL 34 N -3.15 0.92 0.00 -1.35 1.01 -1.26 -4.08 120.40 112.48 1bvz s VAL 34 Ca 0.05 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1bvz s VAL 34 Cb 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1bvz s VAL 34 CO 0.71 0.27 0.00 1.33 0.00 0.00 0.00 175.10 177.41 1bvz n VAL 35 N 2.90 0.00 -3.78 2.92 0.24 -0.10 -4.89 118.33 115.63 1bvz n VAL 35 Ca -0.15 -0.39 -0.13 0.00 -2.04 0.00 0.00 64.34 61.64 1bvz n VAL 35 Cb 0.55 0.95 -0.13 0.00 -1.47 0.00 0.00 33.84 33.74 1bvz n VAL 35 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1bvz s ARG 36 N -0.93 0.15 -0.11 7.34 3.52 -1.15 -5.01 118.95 122.76 1bvz s ARG 36 Ca 0.00 0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.93 1bvz s ARG 36 Cb 0.00 -0.04 0.02 0.00 -1.56 0.00 0.00 34.95 33.37 1bvz s ARG 36 CO 0.00 -0.10 -0.09 0.00 -0.81 0.00 0.00 175.30 174.30 1bvz s GLU 38 N 1.47 1.33 -0.15 0.00 2.12 0.97 -0.89 118.70 123.55 1bvz s GLU 38 Ca 0.01 -1.02 0.01 0.00 0.36 0.00 0.00 54.97 54.34 1bvz s GLU 38 Cb -0.13 -1.49 0.00 0.00 0.26 0.00 0.00 34.13 32.77 1bvz s GLU 38 CO -0.06 0.37 -0.19 0.08 -0.54 0.00 0.00 175.26 174.92 1bvz s VAL 39 N -0.91 2.38 -0.13 3.70 1.01 0.24 -0.34 120.40 126.35 1bvz s VAL 39 Ca 0.07 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1bvz s VAL 39 Cb -0.09 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 1bvz s VAL 39 CO 0.03 0.53 -0.19 -0.76 0.00 0.00 0.00 175.10 174.70 1bvz s LEU 40 N 0.79 2.30 -0.04 3.92 1.43 -0.68 0.68 118.68 127.09 1bvz s LEU 40 Ca -0.07 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.40 1bvz s LEU 40 Cb -0.16 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.59 1bvz s LEU 40 CO -0.00 0.12 0.28 -0.72 0.23 0.00 0.00 176.35 176.25 1bvz s TYR 41 N 0.59 -0.18 0.33 0.29 -0.85 0.02 -1.03 117.35 116.52 1bvz s TYR 41 Ca -0.11 0.33 -0.04 0.00 -0.52 0.00 0.00 57.07 56.72 1bvz s TYR 41 Cb -0.16 0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.26 1bvz s TYR 41 CO 0.03 -0.32 0.48 0.00 -1.52 0.00 0.00 175.55 174.23 1bvz s ALA 42 N -0.97 0.57 0.57 9.51 0.00 -0.18 -0.79 121.76 130.47 1bvz s ALA 42 Ca -0.10 -1.40 -0.19 0.00 0.00 0.00 0.00 51.96 50.26 1bvz s ALA 42 Cb -0.05 1.13 -0.06 0.00 0.00 0.00 0.00 23.12 24.14 1bvz s ALA 42 CO 0.03 -0.80 0.93 -3.47 0.00 0.00 0.00 175.76 172.44 1bvz n ASP 43 N -1.23 0.67 0.25 0.00 2.03 -1.26 -0.50 116.55 116.51 1bvz n ASP 43 Ca 0.00 0.84 0.11 0.00 0.52 0.00 0.00 54.79 56.26 1bvz n ASP 43 Cb 0.62 -1.36 0.68 0.00 -0.72 0.00 0.00 41.12 40.34 1bvz n ASP 43 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1bvz h ARG 44 N 0.65 0.00 -0.00 -0.67 3.08 -1.84 -1.68 114.38 113.91 1bvz h ARG 44 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1bvz h ARG 44 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1bvz h ARG 44 CO 0.51 0.13 -0.75 0.66 -1.07 0.00 0.00 179.97 179.45 1bvz n TYR 45 N -3.86 0.00 -2.02 3.04 4.02 -1.26 -4.93 117.16 112.15 1bvz n TYR 45 Ca -0.02 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.51 1bvz n TYR 45 Cb 0.22 -0.10 0.03 0.00 -0.02 0.00 0.00 39.34 39.48 1bvz n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bvz s ALA 46 N -2.95 2.55 0.56 -0.72 0.00 -0.63 -4.97 121.76 115.60 1bvz s ALA 46 Ca 0.10 1.01 -0.13 0.00 0.00 0.00 0.00 51.96 52.94 1bvz s ALA 46 Cb 0.17 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 1bvz s ALA 46 CO 0.77 -1.15 0.99 -1.54 0.00 0.00 0.00 175.76 174.84 1bvz s SER 47 N -1.60 6.42 0.52 0.00 1.04 -1.26 -4.94 113.70 113.89 1bvz s SER 47 Ca 0.77 1.46 0.26 0.00 0.48 0.00 0.00 55.95 58.92 1bvz s SER 47 Cb -0.30 -2.47 1.44 0.00 0.10 0.00 0.00 66.02 64.79 1bvz s SER 47 CO 0.33 -0.71 2.09 -0.65 0.98 0.00 0.00 173.24 175.28 1bvz h PRO 48 N 0.34 0.00 0.00 4.02 0.11 -2.03 -1.75 132.00 132.69 1bvz h PRO 48 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1bvz h PRO 48 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1bvz h PRO 48 CO 0.62 0.11 0.00 0.39 -0.21 0.00 0.00 178.00 178.91 1bvz n GLU 49 N -3.79 0.34 -3.81 1.05 4.71 -1.26 -4.63 120.64 113.26 1bvz n GLU 49 Ca -0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.78 1bvz n GLU 49 Cb 0.21 -1.49 -0.08 0.00 -1.01 0.00 0.00 31.44 29.07 1bvz n GLU 49 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1bvz s GLU 50 N -2.00 3.98 -0.04 3.49 2.02 -0.66 -5.07 118.70 120.42 1bvz s GLU 50 Ca 0.16 -0.22 -0.22 0.00 0.02 0.00 0.00 54.97 54.71 1bvz s GLU 50 Cb 0.07 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 1bvz s GLU 50 CO 0.13 0.41 0.66 -2.00 0.02 0.00 0.00 175.26 174.47 1bvz s GLU 51 N 0.04 4.40 0.57 1.61 2.56 -1.26 -4.95 118.70 121.66 1bvz s GLU 51 Ca 0.09 0.82 -0.20 0.00 0.00 0.00 0.00 54.97 55.67 1bvz s GLU 51 Cb -0.11 -3.41 -0.05 0.00 2.00 0.00 0.00 34.13 32.56 1bvz s GLU 51 CO -0.00 0.19 1.20 1.28 -0.56 0.00 0.00 175.26 177.37 1bvz n LEU 52 N 3.34 4.80 -4.82 2.70 4.77 -1.26 -4.99 117.00 121.54 1bvz n LEU 52 Ca -0.04 0.91 -0.32 0.00 -0.03 0.00 0.00 56.01 56.54 1bvz n LEU 52 Cb 0.51 -1.50 0.02 0.00 -2.33 0.00 0.00 43.42 40.13 1bvz n LEU 52 CO 0.46 -1.10 0.71 0.00 -1.33 0.00 0.00 177.39 176.12 1bvz s ALA 53 N -1.37 2.78 0.20 -1.18 0.00 0.03 -4.72 121.76 117.50 1bvz s ALA 53 Ca 0.74 0.18 0.08 0.00 0.00 0.00 0.00 51.96 52.96 1bvz s ALA 53 Cb -0.42 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1bvz s ALA 53 CO 0.48 -0.93 -0.01 -1.01 0.00 0.00 0.00 175.76 174.29 1bvz s HIS 54 N -2.82 2.79 -0.25 0.00 0.09 -1.26 -0.80 115.29 113.04 1bvz s HIS 54 Ca 0.60 -0.17 -0.03 0.00 -0.00 0.00 0.00 55.06 55.46 1bvz s HIS 54 Cb -0.14 -1.32 0.14 0.00 -0.00 0.00 0.00 32.58 31.26 1bvz s HIS 54 CO 0.47 0.54 0.44 0.00 -0.00 0.00 0.00 174.74 176.19 1bvz s ALA 55 N -1.87 -1.39 -0.20 -1.40 0.00 0.22 -4.96 121.76 112.15 1bvz s ALA 55 Ca 0.28 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 53.19 1bvz s ALA 55 Cb -0.09 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.29 1bvz s ALA 55 CO 0.19 -1.20 1.11 -1.17 0.00 0.00 0.00 175.76 174.68 1bvz s LEU 56 N 2.64 4.13 -0.85 0.00 2.96 -1.26 -0.59 118.68 125.71 1bvz s LEU 56 Ca 0.12 1.49 -0.25 0.00 -0.22 0.00 0.00 54.13 55.27 1bvz s LEU 56 Cb -0.15 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1bvz s LEU 56 CO -0.17 -0.69 1.65 0.00 -1.32 0.00 0.00 176.35 175.82 1bvz s ALA 57 N 3.23 2.29 1.01 5.97 0.00 -0.07 -4.62 121.76 129.58 1bvz s ALA 57 Ca 0.48 -1.54 -0.12 0.00 0.00 0.00 0.00 51.96 50.78 1bvz s ALA 57 Cb -0.17 -4.44 0.20 0.00 0.00 0.00 0.00 23.12 18.70 1bvz s ALA 57 CO 0.09 -3.97 1.08 0.20 0.00 0.00 0.00 175.76 173.16 1bvz s GLY 58 N 6.27 1.61 -0.23 0.00 0.00 -1.04 -4.03 107.32 109.89 1bvz s GLY 58 Ca 0.55 0.09 -0.23 0.00 0.00 0.00 0.00 44.72 45.13 1bvz s GLY 58 CO 0.04 0.65 0.75 1.25 0.00 0.00 0.00 173.10 175.79 1bvz s LYS 59 N -4.67 4.18 -0.03 2.90 2.20 -1.26 -0.37 119.74 122.69 1bvz s LYS 59 Ca 0.66 0.80 0.18 0.00 -0.36 0.00 0.00 55.97 57.25 1bvz s LYS 59 Cb -0.22 -3.63 -0.27 0.00 -1.51 0.00 0.00 37.83 32.20 1bvz s LYS 59 CO 0.60 -0.44 0.37 0.00 -0.36 0.00 0.00 175.35 175.52 1bvz n ALA 60 N 5.74 2.58 -3.60 3.13 0.00 0.68 -4.93 120.51 124.10 1bvz n ALA 60 Ca 0.03 -0.46 -0.07 0.00 0.00 0.00 0.00 53.44 52.94 1bvz n ALA 60 Cb 0.48 -0.57 -0.02 0.00 0.00 0.00 0.00 19.45 19.34 1bvz n ALA 60 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1bvz s GLY 61 N -4.10 -0.38 0.04 0.00 0.00 -1.07 -4.86 107.32 96.94 1bvz s GLY 61 Ca -0.07 0.59 -0.06 0.00 0.00 0.00 0.00 44.72 45.18 1bvz s GLY 61 CO 0.73 0.18 0.11 -0.56 0.00 0.00 0.00 173.10 173.56 1bvz s SER 62 N -2.69 0.15 0.38 1.64 0.01 -1.26 -0.99 113.70 110.93 1bvz s SER 62 Ca 0.07 -0.50 0.04 0.00 1.31 0.00 0.00 55.95 56.88 1bvz s SER 62 Cb -0.01 0.24 -0.03 0.00 0.21 0.00 0.00 66.02 66.42 1bvz s SER 62 CO -0.05 -0.51 0.15 1.51 0.41 0.00 0.00 173.24 174.75 1bvz s ASP 63 N -2.10 2.41 0.00 2.44 1.47 -0.17 -4.54 116.67 116.19 1bvz s ASP 63 Ca -0.05 -1.65 0.00 0.00 1.18 0.00 0.00 52.55 52.03 1bvz s ASP 63 Cb -0.01 0.46 0.00 0.00 -0.34 0.00 0.00 42.92 43.02 1bvz s ASP 63 CO -0.04 -0.92 0.00 1.21 0.68 0.00 0.00 175.17 176.10 1bvz n GLU 64 N -0.81 0.00 -0.04 2.11 2.13 -1.26 -3.85 120.64 118.92 1bvz n GLU 64 Ca -0.03 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.78 1bvz n GLU 64 Cb 0.65 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.25 1bvz n GLU 64 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1bvz n ARG 65 N -1.36 1.27 -3.83 5.31 5.12 -1.26 -4.96 116.66 116.95 1bvz n ARG 65 Ca 0.00 -0.06 -0.25 0.00 -1.93 0.00 0.00 57.85 55.61 1bvz n ARG 65 Cb 0.00 -1.34 -0.02 0.00 -1.16 0.00 0.00 32.46 29.94 1bvz n ARG 65 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1bvz s PHE 66 N -2.59 1.92 -0.03 -1.55 0.08 -1.25 -0.52 117.98 114.04 1bvz s PHE 66 Ca -0.06 -0.75 -0.01 0.00 0.12 0.00 0.00 56.93 56.23 1bvz s PHE 66 Cb 0.06 -1.98 0.02 0.00 -0.57 0.00 0.00 43.02 40.56 1bvz s PHE 66 CO 0.57 -0.36 0.05 0.34 -0.10 0.00 0.00 175.22 175.72 1bvz s ASP 67 N -4.23 -0.00 -0.06 1.36 -1.08 1.00 -0.99 116.67 112.66 1bvz s ASP 67 Ca 0.38 0.10 0.02 0.00 -0.52 0.00 0.00 52.55 52.53 1bvz s ASP 67 Cb -0.02 0.03 0.02 0.00 -1.46 0.00 0.00 42.92 41.49 1bvz s ASP 67 CO 0.23 -0.09 -0.09 -0.31 0.52 0.00 0.00 175.17 175.44 1bvz s TYR 68 N 0.67 1.17 0.11 -5.34 2.02 -0.16 -1.25 117.35 114.58 1bvz s TYR 68 Ca -0.05 -0.42 0.10 0.00 -0.37 0.00 0.00 57.07 56.33 1bvz s TYR 68 Cb -0.08 -0.92 -0.04 0.00 -0.40 0.00 0.00 41.96 40.53 1bvz s TYR 68 CO -0.02 -0.26 -0.26 -0.06 -1.57 0.00 0.00 175.55 173.38 1bvz s PHE 69 N 0.86 2.20 -0.23 2.71 0.08 0.50 -0.23 117.98 123.87 1bvz s PHE 69 Ca -0.11 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.42 1bvz s PHE 69 Cb -0.15 -1.20 0.07 0.00 -0.57 0.00 0.00 43.02 41.17 1bvz s PHE 69 CO 0.01 0.29 0.55 -2.00 -0.10 0.00 0.00 175.22 173.97 1bvz s GLU 70 N -1.94 0.54 0.20 0.44 2.12 0.50 0.49 118.70 121.07 1bvz s GLU 70 Ca 0.12 1.03 0.02 0.00 0.36 0.00 0.00 54.97 56.51 1bvz s GLU 70 Cb -0.10 0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.35 1bvz s GLU 70 CO 0.05 -0.16 0.02 0.00 -0.54 0.00 0.00 175.26 174.63 1bvz s ALA 71 N 1.64 1.51 -0.14 6.30 0.00 -0.18 -2.51 121.76 128.38 1bvz s ALA 71 Ca -0.09 -1.68 -0.00 0.00 0.00 0.00 0.00 51.96 50.18 1bvz s ALA 71 Cb -0.07 0.65 0.03 0.00 0.00 0.00 0.00 23.12 23.73 1bvz s ALA 71 CO -0.16 -0.34 -0.09 -1.17 0.00 0.00 0.00 175.76 174.00 1bvz s LEU 72 N -3.23 1.47 -0.30 0.00 1.98 -1.26 -1.74 118.68 115.60 1bvz s LEU 72 Ca 0.28 -0.46 -0.15 0.00 -2.89 0.00 0.00 54.13 50.90 1bvz s LEU 72 Cb 0.06 -0.96 -0.02 0.00 0.66 0.00 0.00 46.19 45.92 1bvz s LEU 72 CO 0.07 -0.12 0.39 -0.76 -1.89 0.00 0.00 176.35 174.04 1bvz s LEU 73 N 1.62 4.20 0.04 -0.68 1.02 0.03 -4.92 118.68 119.99 1bvz s LEU 73 Ca 0.04 0.09 -0.30 0.00 0.02 0.00 0.00 54.13 53.97 1bvz s LEU 73 Cb -0.13 -2.42 -0.05 0.00 0.02 0.00 0.00 46.19 43.60 1bvz s LEU 73 CO -0.09 -0.27 1.25 -1.61 0.02 0.00 0.00 176.35 175.65 1bvz s GLU 74 N 2.10 4.38 -0.43 1.70 0.41 -1.26 -1.14 118.70 124.46 1bvz s GLU 74 Ca 0.14 1.82 0.06 0.00 -0.41 0.00 0.00 54.97 56.59 1bvz s GLU 74 Cb -0.16 -3.41 0.22 0.00 -1.78 0.00 0.00 34.13 29.00 1bvz s GLU 74 CO 0.11 -0.36 0.47 0.00 -0.49 0.00 0.00 175.26 174.98 1bvz h SER 76 N 4.69 0.00 0.40 0.00 4.64 -1.90 0.23 113.55 121.61 1bvz h SER 76 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1bvz h SER 76 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1bvz h SER 76 CO 0.47 0.02 -0.08 0.35 -0.87 0.00 0.00 176.83 176.71 1bvz n THR 77 N -3.32 0.00 -2.71 2.95 -2.24 -1.26 -4.90 114.28 102.80 1bvz n THR 77 Ca -0.02 -0.04 -0.19 0.00 -2.27 0.00 0.00 64.05 61.53 1bvz n THR 77 Cb 0.13 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1bvz n THR 77 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1bvz n LYS 78 N -1.04 -2.88 -3.70 -0.78 5.02 0.82 -4.90 118.16 110.70 1bvz n LYS 78 Ca 0.15 0.77 -0.11 0.00 -2.02 0.00 0.00 58.31 57.10 1bvz n LYS 78 Cb 0.26 -5.47 -0.10 0.00 -0.02 0.00 0.00 35.03 29.70 1bvz n LYS 78 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1bvz s ARG 79 N -5.35 0.43 -0.08 1.97 0.52 -1.26 -0.10 118.95 115.09 1bvz s ARG 79 Ca 0.13 0.80 -0.07 0.00 -0.52 0.00 0.00 55.73 56.07 1bvz s ARG 79 Cb -0.06 0.03 0.02 0.00 0.52 0.00 0.00 34.95 35.45 1bvz s ARG 79 CO 0.16 -0.14 0.20 0.54 0.02 0.00 0.00 175.30 176.08 1bvz s VAL 80 N 1.25 0.00 -0.13 3.52 0.11 -1.22 -3.80 120.40 120.13 1bvz s VAL 80 Ca -0.08 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 1bvz s VAL 80 Cb -0.07 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.48 1bvz s VAL 80 CO -0.11 -0.00 -0.17 -1.59 -3.33 0.00 0.00 175.10 169.89 1bvz s LYS 81 N 0.09 3.24 0.25 1.54 -2.85 0.34 -2.19 119.74 120.16 1bvz s LYS 81 Ca -0.00 -0.76 0.04 0.00 -1.00 0.00 0.00 55.97 54.25 1bvz s LYS 81 Cb -0.01 -2.54 -0.05 0.00 -2.06 0.00 0.00 37.83 33.16 1bvz s LYS 81 CO 0.00 0.13 0.01 1.52 0.10 0.00 0.00 175.35 177.11 1bvz s TYR 82 N 0.52 1.66 -0.05 1.78 1.13 0.53 -1.01 117.35 121.91 1bvz s TYR 82 Ca -0.11 -0.93 -0.06 0.00 -1.41 0.00 0.00 57.07 54.57 1bvz s TYR 82 Cb -0.16 -0.99 0.01 0.00 -1.10 0.00 0.00 41.96 39.73 1bvz s TYR 82 CO 0.04 -0.03 0.15 0.54 -2.51 0.00 0.00 175.55 173.75 1bvz s VAL 83 N -3.39 0.01 -0.14 -3.49 0.11 -0.20 -0.31 120.40 113.00 1bvz s VAL 83 Ca 0.31 -0.08 -0.21 0.00 -2.93 0.00 0.00 61.98 59.07 1bvz s VAL 83 Cb 0.06 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.63 1bvz s VAL 83 CO 0.10 -0.04 0.61 -0.36 -3.33 0.00 0.00 175.10 172.08 1bvz s PHE 84 N -0.08 3.47 -0.09 1.54 0.08 -0.13 -1.69 117.98 121.08 1bvz s PHE 84 Ca -0.02 1.01 -0.17 0.00 0.12 0.00 0.00 56.93 57.87 1bvz s PHE 84 Cb -0.02 -2.74 -0.05 0.00 -0.57 0.00 0.00 43.02 39.65 1bvz s PHE 84 CO 0.00 -0.01 0.45 -1.17 -0.10 0.00 0.00 175.22 174.39 1bvz s LEU 85 N 1.26 4.32 -0.26 -0.37 2.96 0.53 -0.38 118.68 126.74 1bvz s LEU 85 Ca 0.30 0.83 -0.00 0.00 -0.22 0.00 0.00 54.13 55.05 1bvz s LEU 85 Cb -0.16 -2.65 0.08 0.00 0.50 0.00 0.00 46.19 43.96 1bvz s LEU 85 CO 0.12 0.08 0.03 -0.76 -1.32 0.00 0.00 176.35 174.51 1bvz s LEU 86 N 0.21 2.40 -0.02 -0.68 1.43 0.14 -0.02 118.68 122.14 1bvz s LEU 86 Ca 0.25 -1.37 -0.15 0.00 -1.03 0.00 0.00 54.13 51.82 1bvz s LEU 86 Cb -0.15 -0.99 -0.05 0.00 0.03 0.00 0.00 46.19 45.02 1bvz s LEU 86 CO 0.11 -0.33 0.41 -0.89 0.23 0.00 0.00 176.35 175.88 1bvz s THR 87 N 1.52 5.06 0.51 5.49 2.01 -0.77 -0.94 115.64 128.51 1bvz s THR 87 Ca 0.03 0.85 0.09 0.00 0.31 0.00 0.00 61.69 62.96 1bvz s THR 87 Cb -0.18 -3.72 0.05 0.00 0.01 0.00 0.00 72.50 68.66 1bvz s THR 87 CO -0.14 0.54 0.69 -0.83 -0.69 0.00 0.00 174.62 174.20 1bvz s GLY 88 N -0.80 1.83 0.58 4.40 0.00 -0.52 -0.92 107.32 111.89 1bvz s GLY 88 Ca 0.24 -1.94 0.28 0.00 0.00 0.00 0.00 44.72 43.29 1bvz s GLY 88 CO 0.13 -1.60 2.08 -0.56 0.00 0.00 0.00 173.10 173.14 1bvz h PRO 89 N 0.38 0.00 0.07 2.90 0.13 -1.82 -2.74 132.00 130.91 1bvz h PRO 89 Ca -0.34 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.52 1bvz h PRO 89 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1bvz h PRO 89 CO 0.43 0.00 -1.46 1.96 -0.23 0.00 0.00 178.00 178.70 1bvz h GLN 90 N 0.00 0.14 0.00 0.86 4.20 -1.95 -3.48 115.11 114.88 1bvz h GLN 90 Ca 0.11 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1bvz h GLN 90 Cb 0.56 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1bvz h GLN 90 CO -0.00 1.12 0.00 0.41 -0.67 0.00 0.00 178.83 179.69 1bvz n GLY 91 N 1.68 -0.12 3.71 3.46 0.00 -1.03 -5.13 105.19 107.76 1bvz n GLY 91 Ca -0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 1bvz n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bvz s GLU 92 N 0.00 1.60 -0.08 1.61 8.01 -1.26 -4.79 118.70 123.79 1bvz s GLU 92 Ca 0.00 1.44 -0.04 0.00 0.01 0.00 0.00 54.97 56.38 1bvz s GLU 92 Cb 0.00 -1.80 0.04 0.00 -4.31 0.00 0.00 34.13 28.06 1bvz s GLU 92 CO 0.00 -2.18 0.18 0.00 0.01 0.00 0.00 175.26 173.27 1bvz s ALA 93 N -2.66 -0.36 0.06 5.21 0.00 -1.26 -1.43 121.76 121.31 1bvz s ALA 93 Ca 0.66 0.77 0.01 0.00 0.00 0.00 0.00 51.96 53.39 1bvz s ALA 93 Cb -0.21 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 1bvz s ALA 93 CO 0.56 -0.17 -0.05 0.08 0.00 0.00 0.00 175.76 176.18 1bvz s VAL 94 N 1.16 0.39 -0.08 0.00 1.01 -0.12 -4.68 120.40 118.08 1bvz s VAL 94 Ca -0.09 -1.53 -0.00 0.00 0.00 0.00 0.00 61.98 60.37 1bvz s VAL 94 Cb -0.11 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1bvz s VAL 94 CO -0.07 -0.75 -0.05 -0.31 0.00 0.00 0.00 175.10 173.93 1bvz s TYR 95 N -2.87 3.00 -0.09 5.22 2.02 0.74 0.29 117.35 125.68 1bvz s TYR 95 Ca 0.00 0.06 0.02 0.00 -0.37 0.00 0.00 57.07 56.79 1bvz s TYR 95 Cb 0.00 -1.74 0.01 0.00 -0.40 0.00 0.00 41.96 39.84 1bvz s TYR 95 CO -0.05 0.36 -0.14 0.12 -1.57 0.00 0.00 175.55 174.28 1bvz s PHE 96 N -0.80 1.71 0.00 2.71 5.36 0.48 -1.86 117.98 125.58 1bvz s PHE 96 Ca 0.12 -0.72 0.00 0.00 -0.96 0.00 0.00 56.93 55.37 1bvz s PHE 96 Cb -0.11 -1.25 0.00 0.00 -0.34 0.00 0.00 43.02 41.32 1bvz s PHE 96 CO 0.02 -0.37 0.00 0.41 -1.46 0.00 0.00 175.22 173.81 1bvz n GLY 97 N 4.01 3.76 0.30 13.12 0.00 -0.65 -0.95 105.19 124.77 1bvz n GLY 97 Ca -0.20 -1.45 -0.02 0.00 0.00 0.00 0.00 46.02 44.34 1bvz n GLY 97 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1bvz h GLU 98 N 0.00 0.77 0.00 1.61 4.81 -1.20 -2.06 114.58 118.52 1bvz h GLU 98 Ca 0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1bvz h GLU 98 Cb 0.00 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1bvz h GLU 98 CO 0.00 0.70 0.00 1.79 -0.73 0.00 0.00 179.01 180.77 1bvz h THR 99 N 0.74 0.00 0.00 0.32 1.35 -1.27 -3.49 112.91 110.56 1bvz h THR 99 Ca 0.16 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1bvz h THR 99 Cb 0.29 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1bvz h THR 99 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1bvz n GLY 100 N 0.60 0.41 3.23 5.82 0.00 0.11 -4.95 105.19 110.41 1bvz n GLY 100 Ca 0.03 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 1bvz n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bvz s PHE 101 N -2.52 2.05 0.04 1.61 0.40 -1.26 -1.64 117.98 116.66 1bvz s PHE 101 Ca 0.00 -0.49 -0.09 0.00 -0.60 0.00 0.00 56.93 55.75 1bvz s PHE 101 Cb 0.00 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.19 1bvz s PHE 101 CO 0.00 -0.11 0.19 0.45 0.70 0.00 0.00 175.22 176.46 1bvz s SER 102 N -0.32 0.04 0.50 1.36 0.15 -0.78 -4.75 113.70 109.90 1bvz s SER 102 Ca 0.03 -0.39 0.29 0.00 0.70 0.00 0.00 55.95 56.58 1bvz s SER 102 Cb -0.10 0.29 1.11 0.00 -1.71 0.00 0.00 66.02 65.60 1bvz s SER 102 CO 0.01 -0.57 1.89 0.00 1.20 0.00 0.00 173.24 175.77 1bvz h ALA 103 N 3.40 1.01 -2.95 5.45 0.00 -1.87 0.21 119.26 124.51 1bvz h ALA 103 Ca -0.32 -0.07 -0.61 0.00 0.00 0.00 0.00 54.91 53.90 1bvz h ALA 103 Cb 1.19 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 1bvz h ALA 103 CO 0.49 0.10 -0.34 -2.00 0.00 0.00 0.00 179.25 177.50 1bvz s GLU 104 N -3.62 4.12 0.16 0.00 -6.30 -1.26 -4.80 118.70 107.00 1bvz s GLU 104 Ca 0.01 -0.02 -0.29 0.00 -2.50 0.00 0.00 54.97 52.18 1bvz s GLU 104 Cb 0.09 -3.55 -0.02 0.00 0.00 0.00 0.00 34.13 30.65 1bvz s GLU 104 CO 0.59 -0.02 1.56 -0.09 0.02 0.00 0.00 175.26 177.32 1bvz h ARG 105 N 7.50 -0.23 0.00 4.30 2.43 -1.97 -2.36 114.38 124.05 1bvz h ARG 105 Ca -0.37 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1bvz h ARG 105 Cb 1.17 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1bvz h ARG 105 CO 0.68 -0.15 0.00 0.43 -1.51 0.00 0.00 179.97 179.42 1bvz n SER 106 N -5.37 0.00 0.11 -3.80 7.64 -1.26 -0.18 113.62 110.75 1bvz n SER 106 Ca 0.00 0.36 0.12 0.00 1.01 0.00 0.00 58.87 60.36 1bvz n SER 106 Cb 0.33 -0.44 0.02 0.00 -1.01 0.00 0.00 64.21 63.11 1bvz n SER 106 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1bvz h LYS 107 N 0.00 0.00 -0.10 1.43 1.57 -1.83 -3.35 116.57 114.29 1bvz h LYS 107 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 1bvz h LYS 107 Cb 0.26 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.58 1bvz h LYS 107 CO 0.00 0.00 -0.82 0.00 -0.57 0.00 0.00 179.45 178.06 1bvz h ALA 108 N 2.03 0.24 0.00 3.86 0.00 -0.61 -3.39 119.26 121.38 1bvz h ALA 108 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1bvz h ALA 108 Cb 0.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1bvz h ALA 108 CO 0.00 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.30 1bvz n GLY 109 N 0.82 -0.04 3.05 0.00 0.00 -1.22 0.09 105.19 107.89 1bvz n GLY 109 Ca -0.09 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 1bvz n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bvz s VAL 110 N 0.00 0.28 0.01 1.61 0.11 -1.26 -4.55 120.40 116.60 1bvz s VAL 110 Ca 0.00 -1.37 0.02 0.00 -2.93 0.00 0.00 61.98 57.70 1bvz s VAL 110 Cb 0.00 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 1bvz s VAL 110 CO 0.00 -0.70 0.00 -0.36 -3.33 0.00 0.00 175.10 170.71 1bvz s PHE 111 N -2.55 3.06 0.01 1.54 0.08 0.58 -1.25 117.98 119.46 1bvz s PHE 111 Ca -0.04 0.07 0.05 0.00 0.12 0.00 0.00 56.93 57.13 1bvz s PHE 111 Cb -0.02 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.76 1bvz s PHE 111 CO -0.04 0.46 -0.15 -0.65 -0.10 0.00 0.00 175.22 174.74 1bvz s GLN 112 N -1.65 1.12 -0.65 0.44 -0.21 -1.26 -0.35 119.66 117.10 1bvz s GLN 112 Ca 0.20 -0.66 -0.13 0.00 0.02 0.00 0.00 55.36 54.79 1bvz s GLN 112 Cb -0.12 -1.12 0.17 0.00 1.00 0.00 0.00 33.01 32.95 1bvz s GLN 112 CO 0.11 0.29 0.58 -0.47 -2.12 0.00 0.00 175.29 173.69 1bvz s TYR 113 N -0.58 3.50 0.23 0.91 5.04 -0.93 -4.94 117.35 120.58 1bvz s TYR 113 Ca 0.04 -1.78 -0.06 0.00 -2.44 0.00 0.00 57.07 52.83 1bvz s TYR 113 Cb -0.07 -3.72 0.40 0.00 0.35 0.00 0.00 41.96 38.93 1bvz s TYR 113 CO 0.00 -0.99 1.71 0.00 -1.34 0.00 0.00 175.55 174.93 1bvz h ALA 114 N 8.23 0.91 -2.26 3.97 0.00 -1.91 -3.23 119.26 124.97 1bvz h ALA 114 Ca -0.10 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1bvz h ALA 114 Cb 1.06 0.16 -0.21 0.00 0.00 0.00 0.00 17.79 18.80 1bvz h ALA 114 CO 0.87 -0.28 -0.01 -0.47 0.00 0.00 0.00 179.25 179.37 1bvz s TYR 115 N -6.06 -0.59 -0.52 0.00 5.04 -1.26 -4.66 117.35 109.31 1bvz s TYR 115 Ca -0.13 1.29 -0.18 0.00 -2.44 0.00 0.00 57.07 55.61 1bvz s TYR 115 Cb 0.20 0.25 0.08 0.00 0.35 0.00 0.00 41.96 42.84 1bvz s TYR 115 CO 0.75 -0.40 0.58 0.42 -1.34 0.00 0.00 175.55 175.56 1bvz s ILE 116 N -0.29 4.98 0.45 3.14 1.01 0.86 -4.98 121.20 126.38 1bvz s ILE 116 Ca -0.05 -0.82 -0.18 0.00 0.00 0.00 0.00 60.65 59.60 1bvz s ILE 116 Cb -0.03 -4.30 -0.09 0.00 0.01 0.00 0.00 42.46 38.04 1bvz s ILE 116 CO 0.04 -0.83 0.93 -1.00 0.00 0.00 0.00 174.94 174.08 1bvz s HIS 117 N 2.32 3.39 0.20 3.97 3.76 -1.26 -4.84 115.29 122.82 1bvz s HIS 117 Ca 0.11 1.46 -0.03 0.00 -0.15 0.00 0.00 55.06 56.44 1bvz s HIS 117 Cb -0.22 -2.76 0.13 0.00 1.11 0.00 0.00 32.58 30.84 1bvz s HIS 117 CO 0.09 -0.19 1.52 -0.09 -0.85 0.00 0.00 174.74 175.21 1bvz h ARG 118 N 1.48 0.57 -0.38 1.40 1.12 -1.97 -2.26 114.38 114.34 1bvz h ARG 118 Ca -0.48 -0.34 -0.13 0.00 -1.11 0.00 0.00 59.98 57.92 1bvz h ARG 118 Cb 1.18 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.16 1bvz h ARG 118 CO 0.62 0.95 -0.28 0.66 -3.11 0.00 0.00 179.97 178.80 1bvz h SER 119 N 0.44 0.85 -0.34 -3.80 4.64 -2.03 -3.29 113.55 110.02 1bvz h SER 119 Ca 0.02 -0.34 -0.23 0.00 -0.47 0.00 0.00 61.79 60.77 1bvz h SER 119 Cb 1.05 -0.24 -0.09 0.00 -0.31 0.00 0.00 62.40 62.82 1bvz h SER 119 CO 0.10 1.08 0.10 -0.62 -0.87 0.00 0.00 176.83 176.62 1bvz n GLU 120 N -4.09 1.73 -4.09 4.77 1.02 -0.85 -4.69 120.64 114.45 1bvz n GLU 120 Ca -0.01 -1.13 -0.33 0.00 -0.02 0.00 0.00 57.16 55.67 1bvz n GLU 120 Cb 0.48 -1.63 -0.16 0.00 -0.02 0.00 0.00 31.44 30.11 1bvz n GLU 120 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1bvz s VAL 121 N -0.86 2.24 -0.21 2.62 1.01 -1.24 -4.71 120.40 119.25 1bvz s VAL 121 Ca 0.36 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 61.16 1bvz s VAL 121 Cb 0.22 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1bvz s VAL 121 CO -0.04 0.51 2.09 0.12 0.00 0.00 0.00 175.10 177.77 1bvz s PHE 122 N 1.31 1.34 -0.10 5.22 2.19 -1.26 -4.94 117.98 121.74 1bvz s PHE 122 Ca 0.05 0.45 0.02 0.00 0.33 0.00 0.00 56.93 57.77 1bvz s PHE 122 Cb -0.13 -4.00 -0.02 0.00 -1.31 0.00 0.00 43.02 37.56 1bvz s PHE 122 CO -0.11 -3.99 -0.15 0.99 1.83 0.00 0.00 175.22 173.78 1bvz s THR 123 N 7.50 2.92 -0.01 0.12 2.01 -1.26 -4.93 115.64 121.98 1bvz s THR 123 Ca 0.94 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 62.25 1bvz s THR 123 Cb -0.32 -2.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 1bvz s THR 123 CO 0.35 0.55 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.79 1bvz s THR 124 N -0.05 1.21 0.01 -0.82 2.01 -1.26 -5.04 115.64 111.70 1bvz s THR 124 Ca -0.03 -0.68 -0.36 0.00 0.31 0.00 0.00 61.69 60.93 1bvz s THR 124 Cb -0.14 -1.01 -0.15 0.00 0.01 0.00 0.00 72.50 71.21 1bvz s THR 124 CO 0.04 0.32 1.59 -2.65 -0.69 0.00 0.00 174.62 173.23 1bvz n PRO 125 N 2.64 1.65 -0.16 4.92 -0.02 -1.26 -4.89 135.00 137.89 1bvz n PRO 125 Ca -0.15 0.60 -0.02 0.00 -2.02 0.00 0.00 63.50 61.91 1bvz n PRO 125 Cb 0.55 -2.33 0.06 0.00 -0.02 0.00 0.00 33.50 31.76 1bvz n PRO 125 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1bvz h GLU 126 N 6.35 0.14 -0.95 -0.52 4.39 -1.96 -0.59 114.58 121.43 1bvz h GLU 126 Ca -0.47 -0.01 0.23 0.00 0.34 0.00 0.00 59.36 59.46 1bvz h GLU 126 Cb 1.30 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.85 1bvz h GLU 126 CO 0.88 0.09 0.63 0.11 -1.16 0.00 0.00 179.01 179.56 1bvz h TRP 127 N 0.14 0.49 0.00 4.33 5.08 -1.95 0.25 115.95 124.28 1bvz h TRP 127 Ca 0.25 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 60.23 1bvz h TRP 127 Cb 0.37 -0.15 -0.00 0.00 -3.00 0.00 0.00 29.16 26.38 1bvz h TRP 127 CO -0.29 0.10 -0.04 0.00 -1.28 0.00 0.00 178.44 176.93 1bvz h ALA 128 N 1.60 1.03 -0.01 0.11 0.00 -1.47 -2.62 119.26 117.90 1bvz h ALA 128 Ca 0.50 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.21 1bvz h ALA 128 Cb 1.37 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1bvz h ALA 128 CO -0.18 0.05 -0.77 0.87 0.00 0.00 0.00 179.25 179.22 1bvz h LYS 129 N 0.00 0.08 -0.56 0.00 1.57 -1.00 -3.19 116.57 113.47 1bvz h LYS 129 Ca -0.00 -0.08 -0.24 0.00 -1.87 0.00 0.00 60.65 58.46 1bvz h LYS 129 Cb 0.43 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 32.62 1bvz h LYS 129 CO 0.01 0.81 0.17 -0.85 -0.57 0.00 0.00 179.45 179.01 1bvz n GLU 130 N -3.68 2.39 -2.59 3.15 0.00 -0.99 -4.66 120.64 114.27 1bvz n GLU 130 Ca -0.02 -3.08 -0.31 0.00 0.00 0.00 0.00 57.16 53.75 1bvz n GLU 130 Cb 0.74 -1.97 -0.03 0.00 0.00 0.00 0.00 31.44 30.17 1bvz n GLU 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bvz s ALA 131 N -3.16 3.20 -0.15 -1.84 0.00 -1.21 -4.93 121.76 113.67 1bvz s ALA 131 Ca 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.43 1bvz s ALA 131 Cb 0.42 -2.93 0.04 0.00 0.00 0.00 0.00 23.12 20.66 1bvz s ALA 131 CO 0.06 -0.15 -0.01 0.08 0.00 0.00 0.00 175.76 175.74 1bvz s VAL 132 N -2.53 0.73 0.08 0.00 1.01 -1.26 -4.17 120.40 114.26 1bvz s VAL 132 Ca 0.55 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1bvz s VAL 132 Cb -0.10 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1bvz s VAL 132 CO 0.32 0.07 0.17 -0.63 0.00 0.00 0.00 175.10 175.03 1bvz s ILE 133 N 1.79 5.04 -0.25 2.22 -1.09 -0.11 -1.16 121.20 127.65 1bvz s ILE 133 Ca 0.01 -0.58 -0.00 0.00 -2.23 0.00 0.00 60.65 57.85 1bvz s ILE 133 Cb -0.15 -3.47 0.07 0.00 -1.58 0.00 0.00 42.46 37.33 1bvz s ILE 133 CO -0.07 0.10 0.01 -0.47 -1.23 0.00 0.00 174.94 173.28 1bvz s TYR 134 N -1.50 1.96 -0.48 3.97 6.14 -0.52 -0.74 117.35 126.18 1bvz s TYR 134 Ca 0.33 -1.59 -0.28 0.00 0.64 0.00 0.00 57.07 56.18 1bvz s TYR 134 Cb -0.12 -1.54 -0.01 0.00 0.42 0.00 0.00 41.96 40.70 1bvz s TYR 134 CO 0.26 -0.76 1.67 -1.14 0.64 0.00 0.00 175.55 176.22 1bvz s GLN 135 N 1.54 3.15 -0.20 4.97 0.74 -0.21 -1.85 119.66 127.80 1bvz s GLN 135 Ca -0.00 0.90 -0.17 0.00 0.05 0.00 0.00 55.36 56.14 1bvz s GLN 135 Cb -0.18 -4.21 -0.04 0.00 1.10 0.00 0.00 33.01 29.68 1bvz s GLN 135 CO -0.11 -2.09 0.44 0.42 -0.55 0.00 0.00 175.29 173.40 1bvz s ILE 136 N 7.14 5.17 -0.54 -2.34 1.01 -0.41 -2.32 121.20 128.91 1bvz s ILE 136 Ca 0.67 0.79 -0.18 0.00 0.00 0.00 0.00 60.65 61.94 1bvz s ILE 136 Cb -0.16 -3.77 0.09 0.00 0.01 0.00 0.00 42.46 38.64 1bvz s ILE 136 CO 0.28 0.23 0.60 0.12 0.00 0.00 0.00 174.94 176.17 1bvz s PHE 137 N 1.39 3.09 0.17 3.97 5.36 -1.26 -3.47 117.98 127.23 1bvz s PHE 137 Ca 0.21 -0.92 -0.10 0.00 -0.96 0.00 0.00 56.93 55.16 1bvz s PHE 137 Cb -0.15 -3.73 0.07 0.00 -0.34 0.00 0.00 43.02 38.87 1bvz s PHE 137 CO 0.09 -1.11 1.67 -1.35 -1.46 0.00 0.00 175.22 173.06 1bvz h PRO 138 N 9.02 1.00 -0.52 10.12 0.11 -1.92 -2.18 132.00 147.63 1bvz h PRO 138 Ca -0.29 -0.27 0.15 0.00 0.11 0.00 0.00 66.00 65.70 1bvz h PRO 138 Cb 1.09 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1bvz h PRO 138 CO 1.02 0.94 0.50 1.49 -0.21 0.00 0.00 178.00 181.74 1bvz h GLU 139 N 0.91 0.00 -0.01 1.05 4.22 -1.94 -2.72 114.58 116.08 1bvz h GLU 139 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.62 1bvz h GLU 139 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1bvz h GLU 139 CO 0.01 0.00 -0.11 0.54 -2.18 0.00 0.00 179.01 177.28 1bvz n ARG 140 N -3.82 1.30 -0.08 1.92 3.00 -0.83 -0.48 116.66 117.67 1bvz n ARG 140 Ca 0.10 -0.85 -0.14 0.00 -0.01 0.00 0.00 57.85 56.95 1bvz n ARG 140 Cb 0.71 -1.14 -0.11 0.00 0.00 0.00 0.00 32.46 31.92 1bvz n ARG 140 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 1bvz h PHE 141 N 1.56 0.00 -1.90 -1.55 3.57 -1.40 -2.84 116.94 114.38 1bvz h PHE 141 Ca 0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1bvz h PHE 141 Cb 0.38 0.00 -0.22 0.00 2.79 0.00 0.00 35.95 38.90 1bvz h PHE 141 CO 0.00 0.96 0.12 0.00 -2.23 0.00 0.00 178.31 177.16 1bvz s ALA 142 N -2.31 -1.95 -0.64 2.41 0.00 -1.26 -4.56 121.76 113.45 1bvz s ALA 142 Ca -0.19 2.32 -0.17 0.00 0.00 0.00 0.00 51.96 53.92 1bvz s ALA 142 Cb -0.00 -1.46 0.14 0.00 0.00 0.00 0.00 23.12 21.80 1bvz s ALA 142 CO 0.57 -0.36 0.66 1.21 0.00 0.00 0.00 175.76 177.83 1bvz s ASN 143 N 1.39 6.33 0.00 0.00 3.84 -1.26 -0.84 114.94 124.39 1bvz s ASN 143 Ca -0.08 -1.87 0.20 0.00 0.21 0.00 0.00 52.86 51.32 1bvz s ASN 143 Cb -0.05 -2.25 0.34 0.00 -0.55 0.00 0.00 41.25 38.74 1bvz s ASN 143 CO -0.16 -0.90 1.29 0.61 -2.79 0.00 0.00 177.10 175.15 1bvz n GLY 144 N 5.01 1.48 2.88 1.21 0.00 -1.26 -4.71 105.19 109.80 1bvz n GLY 144 Ca -0.05 -0.63 -0.05 0.00 0.00 0.00 0.00 46.02 45.29 1bvz n GLY 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bvz s ASP 145 N -1.40 -1.11 0.21 1.61 2.15 -1.26 -4.66 116.67 112.20 1bvz s ASP 145 Ca 0.32 -1.52 0.13 0.00 0.43 0.00 0.00 52.55 51.92 1bvz s ASP 145 Cb 0.19 1.68 0.72 0.00 -0.30 0.00 0.00 42.92 45.21 1bvz s ASP 145 CO 0.27 -0.11 1.39 -0.81 -0.17 0.00 0.00 175.17 175.74 1bvz n PRO 146 N 3.49 0.09 0.08 4.34 -0.04 -1.26 -0.99 135.00 140.69 1bvz n PRO 146 Ca 0.16 0.57 0.09 0.00 -0.04 0.00 0.00 63.50 64.28 1bvz n PRO 146 Cb 0.55 -1.82 0.38 0.00 -0.04 0.00 0.00 33.50 32.58 1bvz n PRO 146 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1bvz n SER 147 N -1.96 0.35 -0.05 3.54 7.64 -1.26 -2.93 113.62 118.95 1bvz n SER 147 Ca -0.01 0.61 -0.14 0.00 1.01 0.00 0.00 58.87 60.33 1bvz n SER 147 Cb 0.05 -0.67 -0.07 0.00 -1.01 0.00 0.00 64.21 62.51 1bvz n SER 147 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1bvz h ASN 148 N 0.00 0.52 -1.75 6.43 7.08 -1.38 -3.49 115.58 122.99 1bvz h ASN 148 Ca 0.00 -0.56 -0.67 0.00 -3.08 0.00 0.00 56.30 51.99 1bvz h ASN 148 Cb 0.23 -0.15 0.07 0.00 -2.08 0.00 0.00 38.32 36.39 1bvz h ASN 148 CO 0.00 0.98 0.25 0.47 -2.08 0.00 0.00 177.43 177.04 1bvz n ASP 149 N -4.39 1.14 -4.77 6.14 9.92 -1.15 -4.54 116.55 118.90 1bvz n ASP 149 Ca -0.07 1.14 -0.37 0.00 -0.53 0.00 0.00 54.79 54.96 1bvz n ASP 149 Cb 0.47 -1.17 -0.01 0.00 -0.64 0.00 0.00 41.12 39.77 1bvz n ASP 149 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 1bvz s PRO 150 N -0.20 3.79 -0.56 -0.24 0.02 -1.26 -4.84 135.00 131.71 1bvz s PRO 150 Ca 0.77 1.73 -0.26 0.00 0.02 0.00 0.00 61.00 63.25 1bvz s PRO 150 Cb -0.92 -2.40 -0.07 0.00 0.02 0.00 0.00 34.50 31.14 1bvz s PRO 150 CO 0.52 -0.51 2.29 -2.14 -0.33 0.00 0.00 177.00 176.82 1bvz s PRO 151 N -2.71 2.15 0.00 5.54 0.02 -1.26 -1.06 135.00 137.68 1bvz s PRO 151 Ca 0.63 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.74 1bvz s PRO 151 Cb -0.27 -4.59 0.00 0.00 0.02 0.00 0.00 34.50 29.66 1bvz s PRO 151 CO 0.33 -3.32 0.00 0.41 -0.33 0.00 0.00 177.00 174.09 1bvz n GLY 152 N 6.07 1.33 3.67 0.52 0.00 -1.26 -5.10 105.19 110.41 1bvz n GLY 152 Ca 0.35 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.86 1bvz n GLY 152 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bvz n THR 153 N 0.00 0.26 -2.17 2.61 -1.04 -0.22 -4.47 114.28 109.25 1bvz n THR 153 Ca 0.00 -0.05 -0.27 0.00 -2.04 0.00 0.00 64.05 61.70 1bvz n THR 153 Cb 0.00 -1.44 0.06 0.00 -1.82 0.00 0.00 70.33 67.13 1bvz n THR 153 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1bvz s GLU 154 N 2.48 2.34 0.07 -2.82 8.01 0.32 -4.97 118.70 124.13 1bvz s GLU 154 Ca 0.89 -0.10 -0.23 0.00 0.01 0.00 0.00 54.97 55.54 1bvz s GLU 154 Cb -0.82 -2.14 -0.06 0.00 -4.31 0.00 0.00 34.13 26.79 1bvz s GLU 154 CO 0.50 -1.18 0.69 -1.14 0.01 0.00 0.00 175.26 174.14 1bvz s GLN 155 N -5.26 4.41 -0.75 1.61 0.74 -1.26 -4.42 119.66 114.73 1bvz s GLN 155 Ca 0.59 0.95 -0.26 0.00 0.05 0.00 0.00 55.36 56.69 1bvz s GLN 155 Cb -0.11 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.70 1bvz s GLN 155 CO 0.46 0.46 1.63 -0.46 -0.55 0.00 0.00 175.29 176.82 1bvz s TRP 156 N -0.61 1.99 -0.01 1.67 -0.11 -1.26 -4.88 118.94 115.73 1bvz s TRP 156 Ca 0.34 0.28 0.01 0.00 1.22 0.00 0.00 56.10 57.96 1bvz s TRP 156 Cb -0.21 -4.34 0.00 0.00 -1.50 0.00 0.00 33.47 27.43 1bvz s TRP 156 CO 0.22 -2.11 -0.04 0.00 -4.62 0.00 0.00 176.95 170.40 1bvz s ALA 157 N 7.60 0.39 0.34 5.86 0.00 -1.26 -5.03 121.76 129.67 1bvz s ALA 157 Ca 0.54 -0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.42 1bvz s ALA 157 Cb -0.09 -0.16 0.62 0.00 0.00 0.00 0.00 23.12 23.49 1bvz s ALA 157 CO 0.12 0.06 1.91 -0.22 0.00 0.00 0.00 175.76 177.62 1bvz h LYS 158 N 6.34 0.58 -0.54 0.00 3.64 -1.91 0.69 116.57 125.36 1bvz h LYS 158 Ca -0.31 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1bvz h LYS 158 Cb 1.18 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 1bvz h LYS 158 CO 0.50 0.54 0.33 0.38 -2.27 0.00 0.00 179.45 178.94 1bvz h ASP 159 N 0.57 0.63 -3.62 4.20 2.03 -1.97 -3.45 116.42 114.80 1bvz h ASP 159 Ca 0.13 -0.03 -0.54 0.00 -0.73 0.00 0.00 57.03 55.86 1bvz h ASP 159 Cb 0.24 -0.16 0.10 0.00 -0.83 0.00 0.00 39.33 38.68 1bvz h ASP 159 CO -0.00 0.48 0.80 0.00 -1.03 0.00 0.00 179.24 179.49 1bvz n ALA 160 N -2.45 2.38 -3.99 4.15 0.00 0.23 -4.99 120.51 115.84 1bvz n ALA 160 Ca 0.05 0.36 -0.33 0.00 0.00 0.00 0.00 53.44 53.51 1bvz n ALA 160 Cb 0.07 -2.43 -0.16 0.00 0.00 0.00 0.00 19.45 16.93 1bvz n ALA 160 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1bvz s ARG 161 N -1.44 3.04 0.32 0.00 1.81 -1.26 -4.81 118.95 116.60 1bvz s ARG 161 Ca 0.58 -0.81 -0.27 0.00 -1.72 0.00 0.00 55.73 53.50 1bvz s ARG 161 Cb -0.49 -2.60 -0.09 0.00 -0.45 0.00 0.00 34.95 31.32 1bvz s ARG 161 CO 0.58 -0.18 1.04 -2.14 -0.68 0.00 0.00 175.30 173.91 1bvz s PRO 162 N 1.24 4.52 0.70 3.54 0.02 -1.26 -5.06 135.00 138.69 1bvz s PRO 162 Ca 0.03 1.60 -0.08 0.00 0.02 0.00 0.00 61.00 62.57 1bvz s PRO 162 Cb -0.13 -2.94 0.04 0.00 0.02 0.00 0.00 34.50 31.48 1bvz s PRO 162 CO -0.11 0.16 1.04 1.03 -0.33 0.00 0.00 177.00 178.79 1bvz s ARG 163 N -1.82 2.45 0.50 5.54 3.00 -1.26 -4.60 118.95 122.76 1bvz s ARG 163 Ca 0.49 0.02 0.23 0.00 0.00 0.00 0.00 55.73 56.47 1bvz s ARG 163 Cb -0.26 -2.12 1.30 0.00 0.00 0.00 0.00 34.95 33.87 1bvz s ARG 163 CO 0.33 -1.14 2.05 0.45 0.00 0.00 0.00 175.30 176.98 1bvz h HIS 164 N -0.60 0.00 -0.40 -0.53 3.86 -1.96 -2.87 115.15 112.65 1bvz h HIS 164 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1bvz h HIS 164 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.76 1bvz h HIS 164 CO 0.40 0.14 0.00 -0.25 0.86 0.00 0.00 177.93 179.08 1bvz n ASP 165 N -3.90 3.42 -4.74 2.45 9.92 -1.26 -5.01 116.55 117.43 1bvz n ASP 165 Ca -0.02 -1.97 -0.33 0.00 -0.53 0.00 0.00 54.79 51.94 1bvz n ASP 165 Cb 0.24 -0.26 0.08 0.00 -0.64 0.00 0.00 41.12 40.54 1bvz n ASP 165 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1bvz s SER 166 N -1.38 4.46 0.01 -2.24 0.01 -1.08 -5.05 113.70 108.42 1bvz s SER 166 Ca 0.38 2.15 0.06 0.00 1.31 0.00 0.00 55.95 59.84 1bvz s SER 166 Cb 0.22 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 1bvz s SER 166 CO 0.30 -2.07 -0.17 -0.36 0.41 0.00 0.00 173.24 171.34 1bvz s PHE 167 N -2.27 1.54 0.00 2.43 0.08 -1.26 -4.92 117.98 113.58 1bvz s PHE 167 Ca 0.70 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 57.43 1bvz s PHE 167 Cb -0.24 -0.96 0.00 0.00 -0.57 0.00 0.00 43.02 41.25 1bvz s PHE 167 CO 0.46 0.01 0.00 0.66 -0.10 0.00 0.00 175.22 176.25 1bvz n TYR 168 N 2.38 0.00 -0.40 0.36 4.02 -1.26 -0.52 117.16 121.73 1bvz n TYR 168 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1bvz n TYR 168 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1bvz n TYR 168 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1bvz n GLY 169 N 1.39 0.76 3.74 2.72 0.00 -1.25 -4.82 105.19 107.73 1bvz n GLY 169 Ca 0.00 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 1bvz n GLY 169 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bvz s GLY 170 N -2.30 1.90 0.17 -0.02 0.00 0.37 -4.38 107.32 103.06 1bvz s GLY 170 Ca 0.00 0.50 -0.24 0.00 0.00 0.00 0.00 44.72 44.98 1bvz s GLY 170 CO 0.00 0.88 0.90 0.51 0.00 0.00 0.00 173.10 175.39 1bvz s ASP 171 N -2.82 -0.21 0.27 1.64 1.47 -0.02 -3.72 116.67 113.28 1bvz s ASP 171 Ca 0.66 -0.41 -0.04 0.00 1.18 0.00 0.00 52.55 53.94 1bvz s ASP 171 Cb -0.21 0.53 0.35 0.00 -0.34 0.00 0.00 42.92 43.25 1bvz s ASP 171 CO 0.51 -0.97 1.92 -0.07 0.68 0.00 0.00 175.17 177.25 1bvz h LEU 172 N 2.00 1.01 -1.21 2.11 3.38 -1.65 -2.03 115.31 118.93 1bvz h LEU 172 Ca -0.23 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 1bvz h LEU 172 Cb 1.24 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1bvz h LEU 172 CO 0.26 0.77 -0.21 0.50 0.09 0.00 0.00 178.44 179.85 1bvz h LYS 173 N 1.17 0.28 -0.18 1.13 1.63 -1.91 -1.28 116.57 117.41 1bvz h LYS 173 Ca 0.31 -0.09 -0.17 0.00 -0.85 0.00 0.00 60.65 59.85 1bvz h LYS 173 Cb -0.06 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.54 1bvz h LYS 173 CO -0.06 0.49 -0.59 0.78 -3.45 0.00 0.00 179.45 176.62 1bvz h GLY 174 N 0.92 0.66 0.98 5.01 0.00 -1.56 -1.66 103.07 107.42 1bvz h GLY 174 Ca 0.04 -0.80 0.01 0.00 0.00 0.00 0.00 47.33 46.58 1bvz h GLY 174 CO 0.04 0.72 0.33 -2.08 0.00 0.00 0.00 176.54 175.54 1bvz h VAL 175 N 0.45 1.11 -0.94 4.60 2.07 -1.00 -0.56 116.25 122.00 1bvz h VAL 175 Ca -0.00 -0.23 0.17 0.00 0.82 0.00 0.00 66.70 67.46 1bvz h VAL 175 Cb 1.16 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 1bvz h VAL 175 CO 0.11 0.12 0.60 0.40 0.02 0.00 0.00 177.57 178.82 1bvz h ILE 176 N 0.66 0.77 -0.02 4.57 2.04 -0.35 -0.85 117.51 124.33 1bvz h ILE 176 Ca 0.19 -0.23 -0.24 0.00 1.00 0.00 0.00 64.86 65.58 1bvz h ILE 176 Cb -0.06 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.08 1bvz h ILE 176 CO -0.05 0.12 -0.95 0.44 0.00 0.00 0.00 178.15 177.72 1bvz h ASP 177 N 0.67 0.72 0.45 1.72 3.32 -1.16 -3.31 116.42 118.82 1bvz h ASP 177 Ca 0.49 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1bvz h ASP 177 Cb 0.86 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1bvz h ASP 177 CO -0.25 1.35 0.00 0.54 -1.72 0.00 0.00 179.24 179.16 1bvz n ARG 178 N -3.81 0.55 -0.15 3.56 5.12 -0.24 -4.31 116.66 117.38 1bvz n ARG 178 Ca -0.08 0.00 0.20 0.00 -1.93 0.00 0.00 57.85 56.04 1bvz n ARG 178 Cb 0.83 -1.50 0.60 0.00 -1.16 0.00 0.00 32.46 31.23 1bvz n ARG 178 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1bvz h LEU 179 N 0.00 0.22 -1.46 0.55 3.38 -1.33 0.29 115.31 116.95 1bvz h LEU 179 Ca 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1bvz h LEU 179 Cb 0.23 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1bvz h LEU 179 CO 0.00 0.10 -0.08 -0.65 0.09 0.00 0.00 178.44 177.90 1bvz h PRO 180 N 0.22 0.00 -0.15 1.13 0.11 -1.87 -1.69 132.00 129.76 1bvz h PRO 180 Ca 0.38 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.31 1bvz h PRO 180 Cb 1.16 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.27 1bvz h PRO 180 CO -0.08 0.08 -0.61 -0.92 -0.21 0.00 0.00 178.00 176.26 1bvz h TYR 181 N 0.00 0.91 -0.60 0.65 3.20 -1.26 0.16 116.97 120.02 1bvz h TYR 181 Ca -0.00 -0.38 -0.02 0.00 3.14 0.00 0.00 58.73 61.46 1bvz h TYR 181 Cb 0.55 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 1bvz h TYR 181 CO 0.00 1.19 0.29 -0.07 -1.64 0.00 0.00 178.16 177.93 1bvz h LEU 182 N 0.37 0.78 -1.15 2.82 3.38 -1.37 0.12 115.31 120.25 1bvz h LEU 182 Ca -0.03 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1bvz h LEU 182 Cb 1.24 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1bvz h LEU 182 CO 0.13 0.69 0.24 -0.08 0.09 0.00 0.00 178.44 179.51 1bvz h GLU 183 N 0.82 0.84 0.43 1.13 4.81 -1.37 -1.32 114.58 119.91 1bvz h GLU 183 Ca 0.21 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1bvz h GLU 183 Cb 0.11 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 1bvz h GLU 183 CO -0.03 0.68 -0.24 1.49 -0.73 0.00 0.00 179.01 180.18 1bvz h GLU 184 N 0.83 -0.60 -0.85 1.92 4.81 -0.29 -2.91 114.58 117.49 1bvz h GLU 184 Ca 0.20 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.58 1bvz h GLU 184 Cb 0.14 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.58 1bvz h GLU 184 CO -0.02 -0.40 0.48 1.25 -0.73 0.00 0.00 179.01 179.58 1bvz h LEU 185 N -0.63 0.66 0.00 1.64 5.85 -0.99 -3.47 115.31 118.37 1bvz h LEU 185 Ca -0.05 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1bvz h LEU 185 Cb 0.50 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1bvz h LEU 185 CO 0.07 0.35 0.00 0.61 -0.34 0.00 0.00 178.44 179.13 1bvz n GLY 186 N -1.32 1.23 3.66 3.75 0.00 -0.52 -4.47 105.19 107.52 1bvz n GLY 186 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1bvz n GLY 186 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bvz s VAL 187 N -2.00 2.40 0.00 1.61 -7.23 -1.05 -4.90 120.40 109.23 1bvz s VAL 187 Ca 0.00 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.30 1bvz s VAL 187 Cb 0.00 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.59 1bvz s VAL 187 CO 0.00 -0.17 0.37 0.41 -0.31 0.00 0.00 175.10 175.40 1bvz n THR 188 N -4.19 0.03 -3.54 5.32 -1.04 -0.31 -4.68 114.28 105.88 1bvz n THR 188 Ca 0.08 -0.36 -0.09 0.00 -2.04 0.00 0.00 64.05 61.64 1bvz n THR 188 Cb 0.53 1.28 -0.03 0.00 -1.82 0.00 0.00 70.33 70.30 1bvz n THR 188 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bvz s ALA 189 N -0.03 -1.88 -0.04 2.41 0.00 -1.16 -3.22 121.76 117.84 1bvz s ALA 189 Ca 0.00 1.27 0.04 0.00 0.00 0.00 0.00 51.96 53.27 1bvz s ALA 189 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 1bvz s ALA 189 CO 0.00 -0.54 -0.16 -0.51 0.00 0.00 0.00 175.76 174.55 1bvz s LEU 190 N -1.96 1.89 -0.17 0.00 1.02 0.71 -1.43 118.68 118.75 1bvz s LEU 190 Ca 0.03 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 53.85 1bvz s LEU 190 Cb -0.01 -0.91 0.00 0.00 0.02 0.00 0.00 46.19 45.30 1bvz s LEU 190 CO -0.05 0.14 -0.15 -0.47 0.02 0.00 0.00 176.35 175.84 1bvz s TYR 191 N 0.08 2.79 -0.20 0.29 5.04 -0.77 -1.59 117.35 123.00 1bvz s TYR 191 Ca -0.04 -1.16 -0.07 0.00 -2.44 0.00 0.00 57.07 53.35 1bvz s TYR 191 Cb -0.11 -1.91 -0.04 0.00 0.35 0.00 0.00 41.96 40.25 1bvz s TYR 191 CO 0.02 -0.55 0.07 -0.06 -1.34 0.00 0.00 175.55 173.68 1bvz s PHE 192 N 0.97 3.21 0.95 4.97 0.08 -0.71 -1.29 117.98 126.17 1bvz s PHE 192 Ca -0.02 -0.01 -0.10 0.00 0.12 0.00 0.00 56.93 56.91 1bvz s PHE 192 Cb -0.15 -2.11 0.17 0.00 -0.57 0.00 0.00 43.02 40.36 1bvz s PHE 192 CO -0.03 0.06 1.14 0.95 -0.10 0.00 0.00 175.22 177.23 1bvz s THR 193 N 0.62 2.01 0.10 0.64 -4.23 -1.23 -1.94 115.64 111.61 1bvz s THR 193 Ca 0.03 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.24 1bvz s THR 193 Cb -0.13 -2.01 -0.10 0.00 1.34 0.00 0.00 72.50 71.60 1bvz s THR 193 CO 0.01 -0.00 1.88 -2.16 -0.54 0.00 0.00 174.62 173.81 1bvz s PRO 194 N -4.61 4.13 -0.23 3.99 0.04 -1.26 -4.68 135.00 132.38 1bvz s PRO 194 Ca 0.67 2.62 0.13 0.00 0.04 0.00 0.00 61.00 64.45 1bvz s PRO 194 Cb -0.23 -3.77 0.76 0.00 0.04 0.00 0.00 34.50 31.30 1bvz s PRO 194 CO 0.59 -0.88 1.67 0.44 0.04 0.00 0.00 177.00 178.86 1bvz n ILE 195 N 4.99 2.60 -4.07 0.56 -5.35 -1.26 -4.36 119.36 112.46 1bvz n ILE 195 Ca 0.18 -1.33 -0.23 0.00 -0.27 0.00 0.00 62.75 61.11 1bvz n ILE 195 Cb 0.39 -0.31 -0.04 0.00 -1.74 0.00 0.00 39.64 37.94 1bvz n ILE 195 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1bvz s PHE 196 N -2.66 3.20 -0.29 4.28 0.08 -1.26 -1.71 117.98 119.61 1bvz s PHE 196 Ca 0.51 -0.07 -0.30 0.00 0.12 0.00 0.00 56.93 57.19 1bvz s PHE 196 Cb 0.39 -1.46 -0.07 0.00 -0.57 0.00 0.00 43.02 41.30 1bvz s PHE 196 CO 0.15 0.51 2.24 0.00 -0.10 0.00 0.00 175.22 178.02 1bvz n ALA 197 N -1.05 1.47 -2.94 5.36 0.00 0.92 -4.36 120.51 119.92 1bvz n ALA 197 Ca -0.08 -0.27 -0.10 0.00 0.00 0.00 0.00 53.44 52.99 1bvz n ALA 197 Cb 0.57 -2.84 -0.12 0.00 0.00 0.00 0.00 19.45 17.06 1bvz n ALA 197 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bvz s SER 198 N 8.45 0.20 -0.01 0.00 0.15 -1.26 -0.82 113.70 120.41 1bvz s SER 198 Ca 1.04 -0.34 0.06 0.00 0.70 0.00 0.00 55.95 57.41 1bvz s SER 198 Cb -0.48 0.06 0.19 0.00 -1.71 0.00 0.00 66.02 64.09 1bvz s SER 198 CO 0.38 -0.20 1.12 -0.81 1.20 0.00 0.00 173.24 174.93 1bvz n PRO 199 N 2.08 1.58 -4.65 5.44 -0.04 -1.26 -4.85 135.00 133.29 1bvz n PRO 199 Ca -0.20 -0.78 -0.29 0.00 -0.04 0.00 0.00 63.50 62.18 1bvz n PRO 199 Cb 0.57 -1.24 -0.08 0.00 -0.04 0.00 0.00 33.50 32.70 1bvz n PRO 199 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1bvz s SER 200 N -0.89 3.54 0.31 3.54 1.04 -1.26 -5.03 113.70 114.94 1bvz s SER 200 Ca 0.14 -1.64 0.15 0.00 0.48 0.00 0.00 55.95 55.08 1bvz s SER 200 Cb 0.08 0.44 0.41 0.00 0.10 0.00 0.00 66.02 67.05 1bvz s SER 200 CO 0.09 -0.85 1.61 0.45 0.98 0.00 0.00 173.24 175.52 1bvz h HIS 201 N 1.57 0.00 -3.52 5.02 3.86 -1.95 -3.41 115.15 116.72 1bvz h HIS 201 Ca -0.40 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.13 1bvz h HIS 201 Cb 1.29 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 29.42 1bvz h HIS 201 CO 1.44 0.53 -0.78 -3.38 0.86 0.00 0.00 177.93 176.59 1bvz s HIS 202 N -3.42 3.07 -0.75 2.45 0.00 -1.26 -5.03 115.29 110.35 1bvz s HIS 202 Ca 0.00 -1.79 -0.04 0.00 -3.00 0.00 0.00 55.06 50.24 1bvz s HIS 202 Cb 0.11 -2.00 0.11 0.00 -4.00 0.00 0.00 32.58 26.79 1bvz s HIS 202 CO 0.73 -0.79 2.58 1.63 -1.00 0.00 0.00 174.74 177.89 1bvz n LYS 203 N 4.60 3.19 -0.08 -0.38 4.76 -1.26 -4.32 118.16 124.66 1bvz n LYS 203 Ca -0.17 -2.83 0.09 0.00 -2.87 0.00 0.00 58.31 52.53 1bvz n LYS 203 Cb 0.46 -2.31 0.12 0.00 -1.84 0.00 0.00 35.03 31.47 1bvz n LYS 203 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1bvz n TYR 204 N 1.00 0.22 -3.80 2.13 4.01 -1.26 -4.55 117.16 114.90 1bvz n TYR 204 Ca 0.53 -0.15 -0.29 0.00 -0.16 0.00 0.00 57.90 57.83 1bvz n TYR 204 Cb 0.43 -0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.33 1bvz n TYR 204 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1bvz s ASP 205 N -1.32 3.95 0.01 7.72 -4.77 -1.26 -4.78 116.67 116.22 1bvz s ASP 205 Ca 0.25 -3.12 -0.30 0.00 -3.30 0.00 0.00 52.55 46.08 1bvz s ASP 205 Cb 0.16 -1.31 -0.03 0.00 -1.09 0.00 0.00 42.92 40.64 1bvz s ASP 205 CO 0.23 -0.20 1.02 -0.89 0.70 0.00 0.00 175.17 176.03 1bvz s THR 206 N -0.36 4.73 -0.22 2.11 2.01 -1.26 -4.37 115.64 118.27 1bvz s THR 206 Ca 0.21 1.96 -0.11 0.00 0.31 0.00 0.00 61.69 64.06 1bvz s THR 206 Cb -0.17 -4.25 -0.18 0.00 0.01 0.00 0.00 72.50 67.91 1bvz s THR 206 CO -0.06 0.15 -0.01 0.00 -0.69 0.00 0.00 174.62 174.00 1bvz n ALA 207 N 3.91 1.07 -3.15 7.40 0.00 0.00 0.22 120.51 129.98 1bvz n ALA 207 Ca 0.07 -0.83 -0.13 0.00 0.00 0.00 0.00 53.44 52.55 1bvz n ALA 207 Cb 0.50 -0.29 -0.14 0.00 0.00 0.00 0.00 19.45 19.52 1bvz n ALA 207 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bvz s ASP 208 N -7.00 0.00 0.00 0.00 -1.08 -0.08 -3.97 116.67 104.53 1bvz s ASP 208 Ca -0.32 0.04 0.23 0.00 -0.52 0.00 0.00 52.55 51.99 1bvz s ASP 208 Cb 0.09 0.01 0.09 0.00 -1.46 0.00 0.00 42.92 41.66 1bvz s ASP 208 CO 0.61 -0.04 1.14 -1.22 0.52 0.00 0.00 175.17 176.18 1bvz n TYR 209 N 3.40 0.00 0.69 -5.34 4.02 -1.26 -2.46 117.16 116.21 1bvz n TYR 209 Ca -0.17 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.80 1bvz n TYR 209 Cb 0.57 -0.03 0.02 0.00 -0.02 0.00 0.00 39.34 39.88 1bvz n TYR 209 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1bvz n LEU 210 N -0.44 1.86 -4.20 7.72 4.77 -1.26 -4.90 117.00 120.56 1bvz n LEU 210 Ca 0.09 -0.85 -0.31 0.00 -0.03 0.00 0.00 56.01 54.90 1bvz n LEU 210 Cb 0.42 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.34 1bvz n LEU 210 CO 0.31 0.35 -0.55 0.00 -1.33 0.00 0.00 177.39 176.16 1bvz s ALA 211 N -1.68 2.10 0.29 -1.18 0.00 -1.26 -4.97 121.76 115.06 1bvz s ALA 211 Ca 0.15 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 1bvz s ALA 211 Cb 0.13 -0.82 -0.13 0.00 0.00 0.00 0.00 23.12 22.30 1bvz s ALA 211 CO 0.33 0.23 1.25 -0.89 0.00 0.00 0.00 175.76 176.68 1bvz n ILE 212 N 3.63 1.60 -2.08 0.00 -0.00 -1.26 -0.06 119.36 121.19 1bvz n ILE 212 Ca -0.19 -0.40 -0.41 0.00 -0.00 0.00 0.00 62.75 61.74 1bvz n ILE 212 Cb 0.53 -1.36 -0.02 0.00 -0.00 0.00 0.00 39.64 38.78 1bvz n ILE 212 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1bvz s ASP 213 N -0.16 6.74 0.44 4.38 2.15 -0.69 -4.47 116.67 125.05 1bvz s ASP 213 Ca 0.61 2.61 0.27 0.00 0.43 0.00 0.00 52.55 56.48 1bvz s ASP 213 Cb -0.64 -2.63 1.34 0.00 -0.30 0.00 0.00 42.92 40.69 1bvz s ASP 213 CO 0.57 -0.62 1.69 -0.65 -0.17 0.00 0.00 175.17 175.99 1bvz h PRO 214 N 4.66 0.17 -0.96 4.34 0.11 -1.92 0.87 132.00 139.27 1bvz h PRO 214 Ca -0.46 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.75 1bvz h PRO 214 Cb 1.22 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.21 1bvz h PRO 214 CO 0.74 0.12 0.61 1.96 -0.21 0.00 0.00 178.00 181.22 1bvz h GLN 215 N 0.18 0.90 0.00 1.05 4.20 -1.92 -3.08 115.11 116.44 1bvz h GLN 215 Ca 0.73 -0.05 -0.24 0.00 0.06 0.00 0.00 58.65 59.14 1bvz h GLN 215 Cb 2.23 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 29.76 1bvz h GLN 215 CO -0.33 0.60 -1.97 1.19 -0.67 0.00 0.00 178.83 177.64 1bvz n PHE 216 N -4.58 0.39 0.00 2.96 3.72 0.21 -4.70 117.46 115.47 1bvz n PHE 216 Ca 0.18 0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.71 1bvz n PHE 216 Cb 0.35 -0.96 0.00 0.00 -0.94 0.00 0.00 39.48 37.93 1bvz n PHE 216 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bvz n GLY 217 N 1.55 0.10 3.43 1.37 0.00 -0.68 -1.77 105.19 109.19 1bvz n GLY 217 Ca -0.20 -1.00 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 1bvz n GLY 217 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1bvz s ASP 218 N -4.00 1.13 0.23 1.61 1.47 -1.26 -3.91 116.67 111.93 1bvz s ASP 218 Ca 0.00 -1.56 -0.07 0.00 1.18 0.00 0.00 52.55 52.09 1bvz s ASP 218 Cb 0.00 0.63 0.39 0.00 -0.34 0.00 0.00 42.92 43.60 1bvz s ASP 218 CO 0.00 -1.23 1.70 -0.07 0.68 0.00 0.00 175.17 176.24 1bvz h LEU 219 N 2.12 0.01 -1.15 2.11 -0.00 -1.93 0.40 115.31 116.88 1bvz h LEU 219 Ca -0.27 0.13 -0.05 0.00 -0.00 0.00 0.00 57.88 57.69 1bvz h LEU 219 Cb 1.24 0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 42.05 1bvz h LEU 219 CO 0.38 -0.01 0.09 -0.65 -0.00 0.00 0.00 178.44 178.25 1bvz h PRO 220 N 0.27 0.68 -0.38 1.13 0.11 -1.99 -0.29 132.00 131.54 1bvz h PRO 220 Ca 0.37 -0.14 -0.09 0.00 0.11 0.00 0.00 66.00 66.25 1bvz h PRO 220 Cb 0.59 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1bvz h PRO 220 CO -0.46 0.64 -0.12 1.15 -0.21 0.00 0.00 178.00 179.00 1bvz h THR 221 N 0.66 1.28 0.13 -1.15 2.02 -1.86 -2.24 112.91 111.76 1bvz h THR 221 Ca 0.15 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 1bvz h THR 221 Cb 0.29 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1bvz h THR 221 CO 0.00 0.41 -0.07 0.15 0.37 0.00 0.00 175.52 176.37 1bvz h PHE 222 N 0.55 -0.19 -0.76 3.16 3.57 -0.50 0.69 116.94 123.46 1bvz h PHE 222 Ca 0.09 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.72 1bvz h PHE 222 Cb 0.65 0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.37 1bvz h PHE 222 CO 0.05 -0.12 0.35 0.00 -2.23 0.00 0.00 178.31 176.36 1bvz h ARG 223 N -0.19 0.52 -0.14 1.11 2.47 -1.14 -0.27 114.38 116.73 1bvz h ARG 223 Ca -0.02 -0.03 -0.16 0.00 -1.26 0.00 0.00 59.98 58.52 1bvz h ARG 223 Cb 0.16 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 1bvz h ARG 223 CO 0.02 0.34 -0.57 -0.09 0.56 0.00 0.00 179.97 180.24 1bvz h ARG 224 N 0.53 0.44 0.04 0.04 9.65 -0.95 -1.09 114.38 123.05 1bvz h ARG 224 Ca 0.41 -0.29 0.02 0.00 -1.10 0.00 0.00 59.98 59.02 1bvz h ARG 224 Cb 0.55 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.15 1bvz h ARG 224 CO -0.35 0.89 -0.14 1.25 2.80 0.00 0.00 179.97 184.42 1bvz h LEU 225 N 0.34 -0.39 -0.49 3.80 5.85 -0.28 0.56 115.31 124.69 1bvz h LEU 225 Ca 0.00 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.87 1bvz h LEU 225 Cb 1.09 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 42.18 1bvz h LEU 225 CO 0.10 -0.20 -0.30 0.58 -0.34 0.00 0.00 178.44 178.28 1bvz h VAL 226 N -0.25 0.24 0.00 1.05 2.07 -0.87 0.22 116.25 118.70 1bvz h VAL 226 Ca 0.03 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.45 1bvz h VAL 226 Cb 0.29 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1bvz h VAL 226 CO -0.11 0.00 -0.49 0.44 0.02 0.00 0.00 177.57 177.43 1bvz h ASP 227 N -0.18 0.00 0.10 0.57 5.19 -0.85 0.35 116.42 121.59 1bvz h ASP 227 Ca 0.21 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.38 1bvz h ASP 227 Cb 0.53 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.06 1bvz h ASP 227 CO -0.60 0.49 -0.98 -0.33 -3.12 0.00 0.00 179.24 174.71 1bvz h GLU 228 N 0.00 0.49 0.19 3.56 4.39 0.49 -3.28 114.58 120.42 1bvz h GLU 228 Ca -0.00 -0.66 -0.01 0.00 0.34 0.00 0.00 59.36 59.03 1bvz h GLU 228 Cb 0.99 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1bvz h GLU 228 CO 0.06 1.28 -0.09 0.00 -1.16 0.00 0.00 179.01 179.10 1bvz h ALA 229 N 0.24 -0.25 -0.55 3.43 0.00 -0.44 -2.95 119.26 118.74 1bvz h ALA 229 Ca -0.15 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.76 1bvz h ALA 229 Cb 1.70 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 1bvz h ALA 229 CO 0.19 -0.54 0.38 0.45 0.00 0.00 0.00 179.25 179.73 1bvz h HIS 230 N -0.46 0.17 0.00 0.00 3.86 -0.75 0.20 115.15 118.17 1bvz h HIS 230 Ca -0.03 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 1bvz h HIS 230 Cb 0.35 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 1bvz h HIS 230 CO -0.00 0.07 -0.17 0.00 0.86 0.00 0.00 177.93 178.69 1bvz h ARG 231 N 0.16 0.00 0.00 2.45 3.08 -1.57 -2.36 114.38 116.13 1bvz h ARG 231 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1bvz h ARG 231 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1bvz h ARG 231 CO -0.04 0.17 -1.06 0.54 -1.07 0.00 0.00 179.97 178.51 1bvz n ARG 232 N -3.79 0.22 0.00 0.04 1.74 0.60 -4.99 116.66 110.48 1bvz n ARG 232 Ca -0.02 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1bvz n ARG 232 Cb 0.27 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1bvz n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bvz n GLY 233 N 1.40 1.06 3.65 -0.13 0.00 -0.64 -4.95 105.19 105.59 1bvz n GLY 233 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1bvz n GLY 233 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bvz s ILE 234 N -2.00 3.97 0.38 -0.61 1.01 -0.98 -4.61 121.20 118.36 1bvz s ILE 234 Ca 0.00 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.11 1bvz s ILE 234 Cb 0.00 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1bvz s ILE 234 CO 0.00 0.42 0.18 -0.54 0.00 0.00 0.00 174.94 174.99 1bvz s LYS 235 N -1.41 2.31 -0.13 2.79 -0.14 -1.20 -2.80 119.74 119.16 1bvz s LYS 235 Ca 0.18 -1.68 -0.01 0.00 -1.36 0.00 0.00 55.97 53.10 1bvz s LYS 235 Cb -0.11 -2.10 0.03 0.00 -1.68 0.00 0.00 37.83 33.97 1bvz s LYS 235 CO 0.08 -0.02 -0.05 0.42 -0.76 0.00 0.00 175.35 175.02 1bvz s ILE 236 N -2.51 0.95 0.03 2.17 -1.09 -1.26 -0.21 121.20 119.28 1bvz s ILE 236 Ca 0.40 -0.39 0.09 0.00 -2.23 0.00 0.00 60.65 58.52 1bvz s ILE 236 Cb 0.00 -1.08 -0.03 0.00 -1.58 0.00 0.00 42.46 39.78 1bvz s ILE 236 CO 0.23 0.23 -0.26 -0.63 -1.23 0.00 0.00 174.94 173.28 1bvz s ILE 237 N 1.72 2.12 -0.02 2.92 1.01 -0.62 -0.79 121.20 127.54 1bvz s ILE 237 Ca 0.03 -1.32 0.03 0.00 0.00 0.00 0.00 60.65 59.39 1bvz s ILE 237 Cb -0.14 -1.80 -0.00 0.00 0.01 0.00 0.00 42.46 40.53 1bvz s ILE 237 CO -0.08 0.42 -0.11 -0.22 0.00 0.00 0.00 174.94 174.95 1bvz s LEU 238 N -1.08 1.92 0.18 2.97 2.96 -1.11 -1.73 118.68 122.79 1bvz s LEU 238 Ca 0.11 -0.21 -0.30 0.00 -0.22 0.00 0.00 54.13 53.50 1bvz s LEU 238 Cb -0.10 -0.62 -0.09 0.00 0.50 0.00 0.00 46.19 45.89 1bvz s LEU 238 CO 0.01 0.11 1.33 -0.62 -1.32 0.00 0.00 176.35 175.87 1bvz s ASP 239 N -0.06 6.87 -0.28 3.68 2.15 -0.82 -1.39 116.67 126.83 1bvz s ASP 239 Ca 0.01 2.39 -0.01 0.00 0.43 0.00 0.00 52.55 55.37 1bvz s ASP 239 Cb -0.07 -2.60 0.04 0.00 -0.30 0.00 0.00 42.92 39.99 1bvz s ASP 239 CO 0.00 -0.56 -0.04 0.00 -0.17 0.00 0.00 175.17 174.40 1bvz s ALA 240 N 0.34 2.73 -0.91 3.66 0.00 -1.02 -4.75 121.76 121.81 1bvz s ALA 240 Ca 0.59 -1.66 -0.00 0.00 0.00 0.00 0.00 51.96 50.88 1bvz s ALA 240 Cb -0.37 -1.79 0.33 0.00 0.00 0.00 0.00 23.12 21.30 1bvz s ALA 240 CO 0.37 -1.11 1.75 0.28 0.00 0.00 0.00 175.76 177.05 1bvz n VAL 241 N 4.60 5.03 0.35 0.00 0.31 -1.26 -2.41 118.33 124.95 1bvz n VAL 241 Ca -0.14 -5.50 0.06 0.00 -0.01 0.00 0.00 64.34 58.75 1bvz n VAL 241 Cb 0.44 -1.45 0.26 0.00 -0.91 0.00 0.00 33.84 32.19 1bvz n VAL 241 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1bvz n PHE 242 N -0.21 0.12 0.17 3.52 3.72 -1.26 -3.63 117.46 119.88 1bvz n PHE 242 Ca 0.47 0.05 0.03 0.00 -0.05 0.00 0.00 57.45 57.95 1bvz n PHE 242 Cb 0.28 -0.58 0.27 0.00 -0.94 0.00 0.00 39.48 38.51 1bvz n PHE 242 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1bvz h ASN 243 N 0.00 0.00 -5.09 4.37 -1.24 -1.84 -3.44 115.58 108.33 1bvz h ASN 243 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.93 1bvz h ASN 243 Cb 0.19 0.00 -0.15 0.00 0.73 0.00 0.00 38.32 39.09 1bvz h ASN 243 CO 0.00 0.46 -0.23 -1.38 -1.29 0.00 0.00 177.43 174.99 1bvz s HIS 244 N -3.59 -0.05 0.14 0.67 -3.43 -1.24 -1.82 115.29 105.97 1bvz s HIS 244 Ca -0.00 -0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.03 1bvz s HIS 244 Cb 0.11 0.09 -0.00 0.00 -1.43 0.00 0.00 32.58 31.36 1bvz s HIS 244 CO 0.71 -0.57 0.00 0.00 -2.00 0.00 0.00 174.74 172.88 1bvz n ALA 245 N 0.14 0.12 -2.61 -1.38 0.00 -0.80 -4.77 120.51 111.22 1bvz n ALA 245 Ca -0.17 -0.62 -0.20 0.00 0.00 0.00 0.00 53.44 52.46 1bvz n ALA 245 Cb 0.62 0.34 -0.02 0.00 0.00 0.00 0.00 19.45 20.39 1bvz n ALA 245 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1bvz s GLY 246 N -1.75 1.54 0.35 0.00 0.00 0.13 -3.34 107.32 104.25 1bvz s GLY 246 Ca 0.00 -1.45 0.27 0.00 0.00 0.00 0.00 44.72 43.54 1bvz s GLY 246 CO 0.00 -1.40 1.80 1.29 0.00 0.00 0.00 173.10 174.79 1bvz h ASP 247 N 1.07 0.00 -0.24 1.64 2.03 -1.73 -2.10 116.42 117.09 1bvz h ASP 247 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1bvz h ASP 247 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1bvz h ASP 247 CO 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.77 1bvz n GLN 248 N -2.57 1.68 -1.95 4.15 1.13 -1.26 -4.02 117.38 114.55 1bvz n GLN 248 Ca 0.02 -1.05 -0.41 0.00 -1.94 0.00 0.00 57.00 53.62 1bvz n GLN 248 Cb 0.30 -1.31 -0.02 0.00 0.11 0.00 0.00 30.24 29.33 1bvz n GLN 248 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1bvz s PHE 249 N -1.69 2.91 0.29 1.08 5.36 -0.79 -4.76 117.98 120.38 1bvz s PHE 249 Ca 0.26 1.04 0.03 0.00 -0.96 0.00 0.00 56.93 57.30 1bvz s PHE 249 Cb 0.14 -3.88 0.73 0.00 -0.34 0.00 0.00 43.02 39.66 1bvz s PHE 249 CO 0.20 -2.81 1.68 0.27 -1.46 0.00 0.00 175.22 173.09 1bvz h PHE 250 N 4.52 0.54 -0.21 10.12 -5.15 -1.91 0.32 116.94 125.18 1bvz h PHE 250 Ca -0.47 0.04 -0.16 0.00 -0.20 0.00 0.00 57.97 57.18 1bvz h PHE 250 Cb 1.22 -0.10 -0.01 0.00 0.22 0.00 0.00 35.95 37.29 1bvz h PHE 250 CO 0.58 -0.11 -0.52 0.00 -2.00 0.00 0.00 178.31 176.26 1bvz h ALA 251 N 1.74 0.71 -0.13 12.09 0.00 -1.96 -1.72 119.26 129.98 1bvz h ALA 251 Ca 0.56 -0.50 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 1bvz h ALA 251 Cb 1.09 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1bvz h ALA 251 CO -0.58 0.68 -0.74 0.35 0.00 0.00 0.00 179.25 178.96 1bvz h PHE 252 N 0.46 0.99 -0.19 0.00 3.57 -0.71 -1.64 116.94 119.42 1bvz h PHE 252 Ca 0.02 -0.45 0.05 0.00 3.53 0.00 0.00 57.97 61.11 1bvz h PHE 252 Cb 1.06 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.60 1bvz h PHE 252 CO 0.05 1.27 -0.12 -0.09 -2.23 0.00 0.00 178.31 177.18 1bvz h ARG 253 N 0.43 -0.12 -0.66 1.11 2.43 -1.21 -0.76 114.38 115.60 1bvz h ARG 253 Ca -0.06 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.23 1bvz h ARG 253 Cb 1.38 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.88 1bvz h ARG 253 CO 0.15 -0.08 0.25 0.22 -1.51 0.00 0.00 179.97 179.00 1bvz h ASP 254 N -0.12 0.23 -0.67 -3.80 3.58 -0.84 0.27 116.42 115.07 1bvz h ASP 254 Ca 0.11 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1bvz h ASP 254 Cb 0.29 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 1bvz h ASP 254 CO -0.27 0.12 0.43 -0.37 -2.88 0.00 0.00 179.24 176.27 1bvz h VAL 255 N 0.42 1.19 -0.45 2.25 -1.51 -0.92 0.54 116.25 117.77 1bvz h VAL 255 Ca 0.34 -0.38 -0.12 0.00 -1.23 0.00 0.00 66.70 65.31 1bvz h VAL 255 Cb 0.45 0.21 -0.01 0.00 -2.13 0.00 0.00 31.29 29.81 1bvz h VAL 255 CO -0.34 0.19 -0.20 -0.07 -1.23 0.00 0.00 177.57 175.92 1bvz h LEU 256 N 0.93 0.90 -0.75 4.19 3.38 0.49 0.29 115.31 124.74 1bvz h LEU 256 Ca 0.25 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1bvz h LEU 256 Cb -0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1bvz h LEU 256 CO -0.05 1.07 -0.54 1.56 0.09 0.00 0.00 178.44 180.57 1bvz h GLN 257 N 0.77 0.00 0.00 1.13 1.08 0.56 -3.38 115.11 115.27 1bvz h GLN 257 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1bvz h GLN 257 Cb 0.73 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1bvz h GLN 257 CO 0.06 0.54 0.00 1.63 -0.95 0.00 0.00 178.83 180.11 1bvz n LYS 258 N -3.64 -0.08 0.00 1.46 5.02 0.07 -5.06 118.16 115.93 1bvz n LYS 258 Ca -0.01 -0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 1bvz n LYS 258 Cb 0.60 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.92 1bvz n LYS 258 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bvz n GLY 259 N 0.05 2.75 0.28 0.72 0.00 1.00 -2.25 105.19 107.74 1bvz n GLY 259 Ca 0.00 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 45.94 1bvz n GLY 259 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1bvz h GLU 260 N 0.00 0.00 -0.05 1.61 9.09 -1.97 0.32 114.58 123.58 1bvz h GLU 260 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.42 1bvz h GLU 260 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1bvz h GLU 260 CO 0.00 0.06 0.12 1.96 0.05 0.00 0.00 179.01 181.20 1bvz h GLN 261 N 0.00 0.00 -6.82 1.06 7.50 -1.85 -3.43 115.11 111.57 1bvz h GLN 261 Ca -0.00 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.62 1bvz h GLN 261 Cb 0.16 0.00 0.08 0.00 0.05 0.00 0.00 27.48 27.77 1bvz h GLN 261 CO 0.01 0.00 0.82 0.45 -1.50 0.00 0.00 178.83 178.60 1bvz s SER 262 N -5.32 6.47 0.42 1.46 0.15 0.10 -4.90 113.70 112.08 1bvz s SER 262 Ca -0.05 2.87 0.29 0.00 0.70 0.00 0.00 55.95 59.77 1bvz s SER 262 Cb 0.13 -2.64 1.18 0.00 -1.71 0.00 0.00 66.02 62.98 1bvz s SER 262 CO 0.44 -0.82 1.86 -0.09 1.20 0.00 0.00 173.24 175.83 1bvz h ARG 263 N 4.48 0.00 -0.21 5.44 9.65 -1.88 -3.21 114.38 128.65 1bvz h ARG 263 Ca -0.48 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 1bvz h ARG 263 Cb 1.22 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 1bvz h ARG 263 CO 0.75 0.00 0.00 0.66 2.80 0.00 0.00 179.97 184.18 1bvz n TYR 264 N -2.71 0.27 -0.16 2.20 4.01 -1.26 -4.71 117.16 114.79 1bvz n TYR 264 Ca 0.01 -0.22 -0.03 0.00 -0.16 0.00 0.00 57.90 57.50 1bvz n TYR 264 Cb 0.28 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.34 1bvz n TYR 264 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1bvz h LYS 265 N 2.77 -0.04 0.00 -0.72 2.10 -1.85 -0.81 116.57 118.03 1bvz h LYS 265 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1bvz h LYS 265 Cb 0.69 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1bvz h LYS 265 CO 0.00 -0.03 0.00 -0.25 -2.00 0.00 0.00 179.45 177.17 1bvz n ASP 266 N -5.39 0.00 0.06 7.07 8.00 -1.26 -2.71 116.55 122.32 1bvz n ASP 266 Ca 0.05 -0.88 0.09 0.00 0.71 0.00 0.00 54.79 54.76 1bvz n ASP 266 Cb 0.29 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 41.78 1bvz n ASP 266 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1bvz n TRP 267 N -0.94 0.36 -4.33 1.24 7.02 -0.31 -4.78 117.44 115.71 1bvz n TRP 267 Ca 0.17 0.14 -0.18 0.00 -1.02 0.00 0.00 57.50 56.61 1bvz n TRP 267 Cb 0.08 -0.73 -0.09 0.00 -2.42 0.00 0.00 31.31 28.14 1bvz n TRP 267 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1bvz s PHE 268 N -3.14 1.57 -0.98 -5.99 0.08 -1.10 -0.97 117.98 107.44 1bvz s PHE 268 Ca 0.06 -1.32 -0.06 0.00 0.12 0.00 0.00 56.93 55.73 1bvz s PHE 268 Cb 0.09 -0.86 0.24 0.00 -0.57 0.00 0.00 43.02 41.93 1bvz s PHE 268 CO 0.32 -0.48 0.92 -0.06 -0.10 0.00 0.00 175.22 175.82 1bvz s PHE 269 N -3.66 4.05 0.00 0.36 0.40 -1.25 -4.82 117.98 113.06 1bvz s PHE 269 Ca 0.36 -2.83 -0.13 0.00 -0.60 0.00 0.00 56.93 53.73 1bvz s PHE 269 Cb 0.06 -3.53 -0.06 0.00 0.51 0.00 0.00 43.02 40.00 1bvz s PHE 269 CO 0.16 -0.85 0.39 0.42 0.70 0.00 0.00 175.22 176.04 1bvz s ILE 270 N -1.22 5.07 0.00 0.64 1.01 -1.26 -1.78 121.20 123.66 1bvz s ILE 270 Ca 0.28 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.67 1bvz s ILE 270 Cb -0.09 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.70 1bvz s ILE 270 CO -0.10 0.54 0.00 -0.62 0.00 0.00 0.00 174.94 174.76 1bvz n GLU 271 N 1.69 0.00 -4.41 2.79 1.02 0.74 -4.90 120.64 117.57 1bvz n GLU 271 Ca -0.14 0.14 -0.34 0.00 -0.02 0.00 0.00 57.16 56.81 1bvz n GLU 271 Cb 0.53 -0.59 -0.10 0.00 -0.02 0.00 0.00 31.44 31.26 1bvz n GLU 271 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1bvz s ASP 272 N -3.21 5.05 0.12 1.62 -4.77 -1.25 -5.09 116.67 109.14 1bvz s ASP 272 Ca 0.00 0.06 -0.10 0.00 -3.30 0.00 0.00 52.55 49.21 1bvz s ASP 272 Cb 0.00 -1.36 -0.06 0.00 -1.09 0.00 0.00 42.92 40.41 1bvz s ASP 272 CO 0.00 0.34 0.44 -0.36 0.70 0.00 0.00 175.17 176.29 1bvz s PHE 273 N -0.93 3.55 0.36 2.11 0.08 -1.26 -3.90 117.98 117.99 1bvz s PHE 273 Ca 0.15 0.81 -0.26 0.00 0.12 0.00 0.00 56.93 57.75 1bvz s PHE 273 Cb -0.11 -2.18 -0.09 0.00 -0.57 0.00 0.00 43.02 40.06 1bvz s PHE 273 CO 0.04 0.46 1.06 -1.25 -0.10 0.00 0.00 175.22 175.44 1bvz s PRO 274 N -2.13 4.34 -0.94 0.24 0.04 -1.26 -5.07 135.00 130.22 1bvz s PRO 274 Ca 0.37 1.61 -0.25 0.00 0.04 0.00 0.00 61.00 62.76 1bvz s PRO 274 Cb -0.13 -2.77 -0.10 0.00 0.04 0.00 0.00 34.50 31.53 1bvz s PRO 274 CO 0.19 -0.01 2.10 0.08 0.04 0.00 0.00 177.00 179.40 1bvz s VAL 275 N -1.48 3.29 -1.14 -0.36 1.01 -1.25 -4.83 120.40 115.63 1bvz s VAL 275 Ca 0.53 -0.32 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 1bvz s VAL 275 Cb -0.25 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1bvz s VAL 275 CO 0.32 -0.58 1.88 -0.55 0.00 0.00 0.00 175.10 176.16 1bvz s SER 276 N 8.64 5.41 -0.43 3.32 0.15 -1.26 -4.86 113.70 124.67 1bvz s SER 276 Ca 0.78 -1.59 -0.29 0.00 0.70 0.00 0.00 55.95 55.55 1bvz s SER 276 Cb -0.07 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.66 1bvz s SER 276 CO 0.06 -2.63 1.48 -0.75 1.20 0.00 0.00 173.24 172.60 1bvz s LYS 277 N 6.14 3.47 0.38 5.44 2.20 -1.26 -4.50 119.74 131.61 1bvz s LYS 277 Ca 0.65 0.92 -0.12 0.00 -0.36 0.00 0.00 55.97 57.06 1bvz s LYS 277 Cb -0.01 -4.07 0.04 0.00 -1.51 0.00 0.00 37.83 32.28 1bvz s LYS 277 CO 0.09 -1.70 0.72 0.95 -0.36 0.00 0.00 175.35 175.05 1bvz s THR 278 N 5.83 0.00 0.30 3.43 -4.23 -1.26 -5.02 115.64 114.70 1bvz s THR 278 Ca 0.63 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.00 1bvz s THR 278 Cb -0.14 -2.86 0.38 0.00 1.34 0.00 0.00 72.50 71.22 1bvz s THR 278 CO 0.31 0.00 1.59 0.28 -0.54 0.00 0.00 174.62 176.26 1bvz h SER 279 N 2.02 -0.38 -3.51 3.99 0.02 -2.03 -3.42 113.55 110.25 1bvz h SER 279 Ca -0.32 0.26 -0.58 0.00 -0.84 0.00 0.00 61.79 60.31 1bvz h SER 279 Cb 1.25 0.44 -0.08 0.00 0.14 0.00 0.00 62.40 64.14 1bvz h SER 279 CO 0.41 -0.31 0.72 -0.60 -1.14 0.00 0.00 176.83 175.90 1bvz s ARG 280 N -5.99 3.84 0.49 3.45 3.52 -1.26 -4.79 118.95 118.21 1bvz s ARG 280 Ca -0.13 0.65 -0.20 0.00 -0.13 0.00 0.00 55.73 55.93 1bvz s ARG 280 Cb 0.28 -3.82 -0.08 0.00 -1.56 0.00 0.00 34.95 29.77 1bvz s ARG 280 CO 0.77 -1.04 1.02 0.99 -0.81 0.00 0.00 175.30 176.23 1bvz s THR 281 N 3.73 3.94 0.00 4.11 2.01 -1.26 -4.68 115.64 123.48 1bvz s THR 281 Ca 0.42 1.16 0.22 0.00 0.31 0.00 0.00 61.69 63.80 1bvz s THR 281 Cb -0.11 -3.48 0.37 0.00 0.01 0.00 0.00 72.50 69.29 1bvz s THR 281 CO 0.21 -0.31 1.14 -0.46 -0.69 0.00 0.00 174.62 174.52 1bvz n ASN 282 N -1.06 0.80 -4.24 3.53 6.94 -1.26 -5.05 115.26 114.92 1bvz n ASN 282 Ca 0.09 -2.00 -0.14 0.00 -0.02 0.00 0.00 54.58 52.52 1bvz n ASN 282 Cb 0.53 -0.26 -0.10 0.00 -2.36 0.00 0.00 39.78 37.59 1bvz n ASN 282 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1bvz s TYR 283 N 0.00 1.26 0.42 -2.53 1.13 -1.26 -0.19 117.35 116.18 1bvz s TYR 283 Ca 0.29 -1.19 -0.23 0.00 -1.41 0.00 0.00 57.07 54.54 1bvz s TYR 283 Cb 0.34 -0.70 -0.09 0.00 -1.10 0.00 0.00 41.96 40.40 1bvz s TYR 283 CO -0.15 -0.40 1.03 -1.21 -2.51 0.00 0.00 175.55 172.31 1bvz s GLU 284 N -4.03 4.10 0.16 -3.49 2.02 -0.74 -4.94 118.70 111.78 1bvz s GLU 284 Ca 0.32 1.41 0.02 0.00 0.02 0.00 0.00 54.97 56.74 1bvz s GLU 284 Cb 0.07 -2.39 -0.01 0.00 0.10 0.00 0.00 34.13 31.90 1bvz s GLU 284 CO 0.09 -0.18 0.06 0.25 0.02 0.00 0.00 175.26 175.50 1bvz n THR 285 N -0.34 0.00 0.00 3.63 -2.24 -1.26 -1.36 114.28 112.71 1bvz n THR 285 Ca 0.06 -0.93 -0.12 0.00 -2.27 0.00 0.00 64.05 60.79 1bvz n THR 285 Cb 0.51 0.35 -0.07 0.00 -2.10 0.00 0.00 70.33 69.01 1bvz n THR 285 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1bvz h PHE 286 N 1.28 0.07 0.00 4.78 3.57 -1.22 -3.42 116.94 122.00 1bvz h PHE 286 Ca -0.12 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1bvz h PHE 286 Cb 0.48 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1bvz h PHE 286 CO 0.00 0.21 0.00 0.00 -2.23 0.00 0.00 178.31 176.29 1bvz n ALA 287 N -2.19 3.00 -0.08 2.41 0.00 -1.26 -5.06 120.51 117.33 1bvz n ALA 287 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 1bvz n ALA 287 Cb 0.11 0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 1bvz n ALA 287 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bvz n VAL 288 N -3.25 1.47 -3.71 0.00 0.31 -1.26 -4.96 118.33 106.93 1bvz n VAL 288 Ca 0.00 0.13 -0.15 0.00 -0.01 0.00 0.00 64.34 64.31 1bvz n VAL 288 Cb 0.00 -2.25 -0.15 0.00 -0.91 0.00 0.00 33.84 30.53 1bvz n VAL 288 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1bvz s GLN 289 N -2.80 0.07 -0.48 5.55 -1.52 -1.26 -4.66 119.66 114.57 1bvz s GLN 289 Ca -0.27 0.49 0.07 0.00 -1.95 0.00 0.00 55.36 53.70 1bvz s GLN 289 Cb 0.04 -0.21 0.19 0.00 -0.22 0.00 0.00 33.01 32.81 1bvz s GLN 289 CO 0.39 -0.24 0.68 0.08 -0.25 0.00 0.00 175.29 175.96 1bvz s VAL 290 N 1.76 -0.96 0.56 1.09 1.01 -1.26 -4.99 120.40 117.61 1bvz s VAL 290 Ca -0.03 -0.69 0.29 0.00 0.00 0.00 0.00 61.98 61.54 1bvz s VAL 290 Cb -0.12 -0.04 0.41 0.00 0.00 0.00 0.00 36.38 36.63 1bvz s VAL 290 CO -0.06 -0.04 1.93 -0.65 0.00 0.00 0.00 175.10 176.28 1bvz h PRO 291 N 5.74 0.00 -0.14 2.72 0.11 -1.87 -1.11 132.00 137.44 1bvz h PRO 291 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1bvz h PRO 291 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1bvz h PRO 291 CO 0.05 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.84 1bvz n ALA 292 N -2.50 2.51 -3.07 -0.75 0.00 -1.26 -4.34 120.51 111.11 1bvz n ALA 292 Ca 0.11 -0.32 -0.20 0.00 0.00 0.00 0.00 53.44 53.03 1bvz n ALA 292 Cb 0.70 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.05 1bvz n ALA 292 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1bvz n MET 293 N -0.07 0.72 -1.70 0.00 2.81 -0.42 -2.55 117.12 115.91 1bvz n MET 293 Ca 0.10 -2.80 -0.35 0.00 -1.81 0.00 0.00 57.70 52.83 1bvz n MET 293 Cb 0.17 -1.29 0.07 0.00 -0.71 0.00 0.00 33.22 31.46 1bvz n MET 293 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1bvz s PRO 294 N -0.64 2.54 0.04 0.03 0.04 -1.21 -0.83 135.00 134.96 1bvz s PRO 294 Ca 0.34 1.81 -0.26 0.00 0.04 0.00 0.00 61.00 62.93 1bvz s PRO 294 Cb 0.19 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.80 1bvz s PRO 294 CO -0.15 -1.54 0.79 0.21 0.04 0.00 0.00 177.00 176.35 1bvz s LYS 295 N -3.64 4.51 0.30 4.56 2.20 -0.47 -1.90 119.74 125.31 1bvz s LYS 295 Ca 0.76 1.11 -0.27 0.00 -0.36 0.00 0.00 55.97 57.21 1bvz s LYS 295 Cb -0.30 -3.38 -0.10 0.00 -1.51 0.00 0.00 37.83 32.54 1bvz s LYS 295 CO 0.40 0.23 0.94 -0.51 -0.36 0.00 0.00 175.35 176.05 1bvz s LEU 296 N 0.12 4.42 -1.20 5.43 1.02 -0.75 -3.93 118.68 123.78 1bvz s LEU 296 Ca 0.40 1.86 -0.14 0.00 0.02 0.00 0.00 54.13 56.27 1bvz s LEU 296 Cb -0.20 -3.91 0.17 0.00 0.02 0.00 0.00 46.19 42.27 1bvz s LEU 296 CO 0.23 -0.01 1.43 -0.60 0.02 0.00 0.00 176.35 177.43 1bvz s ARG 297 N -1.83 4.09 0.51 1.70 3.52 -0.15 -4.81 118.95 121.98 1bvz s ARG 297 Ca 0.48 -2.57 0.34 0.00 -0.13 0.00 0.00 55.73 53.84 1bvz s ARG 297 Cb -0.20 -5.06 1.83 0.00 -1.56 0.00 0.00 34.95 29.95 1bvz s ARG 297 CO 0.26 -1.77 2.03 1.79 -0.81 0.00 0.00 175.30 176.79 1bvz h THR 298 N 4.68 0.00 -0.00 4.11 1.35 -1.91 0.68 112.91 121.83 1bvz h THR 298 Ca 0.32 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 66.01 1bvz h THR 298 Cb 0.87 0.75 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 1bvz h THR 298 CO 1.24 0.00 -0.76 -0.33 -0.25 0.00 0.00 175.52 175.42 1bvz h GLU 299 N 0.00 0.01 -6.52 4.72 5.08 -1.99 -3.37 114.58 112.51 1bvz h GLU 299 Ca 0.00 -0.01 -0.53 0.00 -1.00 0.00 0.00 59.36 57.82 1bvz h GLU 299 Cb 0.05 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.32 1bvz h GLU 299 CO 0.00 0.77 0.74 1.21 -1.00 0.00 0.00 179.01 180.73 1bvz s ASN 300 N -6.80 6.83 0.48 1.42 3.84 0.23 -4.91 114.94 116.04 1bvz s ASN 300 Ca -0.01 2.29 0.20 0.00 0.21 0.00 0.00 52.86 55.56 1bvz s ASN 300 Cb 0.12 -2.58 1.22 0.00 -0.55 0.00 0.00 41.25 39.46 1bvz s ASN 300 CO 0.79 -0.66 2.04 -0.65 -2.79 0.00 0.00 177.10 175.83 1bvz h PRO 301 N 6.97 0.00 0.03 0.43 0.11 -1.86 -0.53 132.00 137.15 1bvz h PRO 301 Ca -0.42 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1bvz h PRO 301 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1bvz h PRO 301 CO 0.87 0.15 -0.01 0.93 -0.21 0.00 0.00 178.00 179.72 1bvz h GLU 302 N 0.00 -0.03 -0.07 1.05 5.08 -1.92 -1.59 114.58 117.10 1bvz h GLU 302 Ca -0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1bvz h GLU 302 Cb 0.31 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 1bvz h GLU 302 CO 0.02 0.58 -0.35 0.28 -1.00 0.00 0.00 179.01 178.53 1bvz h VAL 303 N -0.69 0.25 -0.50 3.13 2.07 -1.80 -1.55 116.25 117.16 1bvz h VAL 303 Ca -0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1bvz h VAL 303 Cb 0.63 0.25 -0.10 0.00 -1.52 0.00 0.00 31.29 30.54 1bvz h VAL 303 CO 0.01 0.00 -0.41 0.50 0.02 0.00 0.00 177.57 177.69 1bvz h LYS 304 N -0.47 -0.25 -0.32 1.57 3.64 -1.10 -2.22 116.57 117.43 1bvz h LYS 304 Ca 0.07 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1bvz h LYS 304 Cb 0.58 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1bvz h LYS 304 CO -0.33 -0.17 -0.07 0.93 -2.27 0.00 0.00 179.45 177.55 1bvz h GLU 305 N -0.26 0.52 0.09 1.90 4.39 -1.11 -2.12 114.58 118.00 1bvz h GLU 305 Ca 0.17 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 59.76 1bvz h GLU 305 Cb 0.57 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.10 1bvz h GLU 305 CO -0.63 0.60 -0.49 -0.92 -1.16 0.00 0.00 179.01 176.41 1bvz h TYR 306 N 0.49 -1.40 0.00 4.33 5.03 -0.85 0.16 116.97 124.72 1bvz h TYR 306 Ca 0.10 0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.41 1bvz h TYR 306 Cb 0.43 0.60 -0.01 0.00 1.55 0.00 0.00 36.73 39.30 1bvz h TYR 306 CO 0.01 -0.56 -0.19 -0.07 -1.32 0.00 0.00 178.16 176.03 1bvz h LEU 307 N -0.70 0.00 -0.81 2.82 3.38 -1.02 0.14 115.31 119.13 1bvz h LEU 307 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1bvz h LEU 307 Cb 0.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1bvz h LEU 307 CO -0.29 0.19 0.02 -0.26 0.09 0.00 0.00 178.44 178.19 1bvz h PHE 308 N 0.00 0.98 -0.46 1.13 -1.00 -0.99 0.24 116.94 116.83 1bvz h PHE 308 Ca -0.00 -0.15 -0.07 0.00 2.81 0.00 0.00 57.97 60.57 1bvz h PHE 308 Cb 0.39 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 1bvz h PHE 308 CO 0.00 0.88 0.03 -0.44 -1.61 0.00 0.00 178.31 177.17 1bvz h ASP 309 N 0.85 0.77 -0.55 2.17 3.32 0.10 -1.33 116.42 121.76 1bvz h ASP 309 Ca 0.16 -0.29 0.10 0.00 0.02 0.00 0.00 57.03 57.03 1bvz h ASP 309 Cb 0.48 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 39.74 1bvz h ASP 309 CO 0.02 0.87 0.09 0.58 -1.72 0.00 0.00 179.24 179.08 1bvz h VAL 310 N 0.65 0.65 -0.43 -1.35 2.07 -0.63 -0.96 116.25 116.26 1bvz h VAL 310 Ca 0.14 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1bvz h VAL 310 Cb 0.45 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1bvz h VAL 310 CO 0.02 0.04 0.23 0.00 0.02 0.00 0.00 177.57 177.88 1bvz h ALA 311 N 1.45 0.55 -0.24 1.67 0.00 0.15 -2.81 119.26 120.03 1bvz h ALA 311 Ca 0.28 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1bvz h ALA 311 Cb 0.41 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1bvz h ALA 311 CO -0.39 0.08 -0.04 0.00 0.00 0.00 0.00 179.25 178.91 1bvz h ARG 312 N 0.56 0.03 -0.24 0.00 3.08 -0.74 -0.33 114.38 116.75 1bvz h ARG 312 Ca 0.15 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.25 1bvz h ARG 312 Cb 0.06 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 1bvz h ARG 312 CO -0.02 0.02 -0.10 0.35 -1.07 0.00 0.00 179.97 179.14 1bvz h PHE 313 N 0.03 -0.25 0.00 3.04 3.57 -1.06 0.12 116.94 122.39 1bvz h PHE 313 Ca 0.12 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.53 1bvz h PHE 313 Cb 0.17 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1bvz h PHE 313 CO -0.23 -0.16 -0.55 -1.49 -2.23 0.00 0.00 178.31 173.65 1bvz h TRP 314 N -0.07 0.00 0.00 0.41 4.06 -1.16 -2.03 115.95 117.16 1bvz h TRP 314 Ca 0.13 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.01 1bvz h TRP 314 Cb 0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 1bvz h TRP 314 CO -0.28 0.55 -0.30 0.52 -3.56 0.00 0.00 178.44 175.37 1bvz h MET 315 N 0.00 0.00 -0.38 0.49 2.86 0.42 -2.52 114.93 115.80 1bvz h MET 315 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1bvz h MET 315 Cb 1.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 1bvz h MET 315 CO 0.07 0.30 0.25 0.93 1.06 0.00 0.00 176.91 179.52 1bvz h GLU 316 N 0.00 0.50 -0.27 1.72 4.39 -0.11 0.11 114.58 120.92 1bvz h GLU 316 Ca -0.00 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.74 1bvz h GLU 316 Cb 0.87 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1bvz h GLU 316 CO 0.04 0.34 0.27 1.96 -1.16 0.00 0.00 179.01 180.45 1bvz h GLN 317 N 0.51 0.00 0.00 2.33 7.50 -1.35 -3.47 115.11 120.63 1bvz h GLN 317 Ca 0.14 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.29 1bvz h GLN 317 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.48 1bvz h GLN 317 CO -0.03 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.71 1bvz n GLY 318 N -1.46 1.76 3.85 3.46 0.00 0.37 -4.86 105.19 108.31 1bvz n GLY 318 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1bvz n GLY 318 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bvz s ILE 319 N -2.00 4.57 -0.24 -0.61 -4.36 -1.18 -4.89 121.20 112.49 1bvz s ILE 319 Ca 0.00 1.12 0.14 0.00 -0.26 0.00 0.00 60.65 61.65 1bvz s ILE 319 Cb 0.00 -3.72 0.63 0.00 1.25 0.00 0.00 42.46 40.62 1bvz s ILE 319 CO 0.00 -0.65 1.58 0.47 0.24 0.00 0.00 174.94 176.58 1bvz n ASP 320 N -1.50 4.24 0.00 4.36 9.92 0.03 -4.80 116.55 128.80 1bvz n ASP 320 Ca 0.06 -3.16 0.00 0.00 -0.53 0.00 0.00 54.79 51.16 1bvz n ASP 320 Cb 0.54 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 1bvz n ASP 320 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bvz n GLY 321 N -0.33 1.23 3.08 0.44 0.00 -1.14 -1.17 105.19 107.30 1bvz n GLY 321 Ca 0.29 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 1bvz n GLY 321 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bvz s TRP 322 N -2.00 0.78 -0.20 1.61 0.52 -0.21 -2.76 118.94 116.68 1bvz s TRP 322 Ca 0.00 -0.47 0.01 0.00 0.02 0.00 0.00 56.10 55.66 1bvz s TRP 322 Cb 0.00 -0.46 0.05 0.00 -1.15 0.00 0.00 33.47 31.91 1bvz s TRP 322 CO 0.00 -0.05 -0.08 0.50 0.02 0.00 0.00 176.95 177.34 1bvz s ARG 323 N -1.52 1.77 0.03 4.98 3.00 -0.48 -1.74 118.95 125.00 1bvz s ARG 323 Ca -0.08 -0.82 -0.09 0.00 -1.00 0.00 0.00 55.73 53.74 1bvz s ARG 323 Cb -0.10 -2.39 -0.05 0.00 0.00 0.00 0.00 34.95 32.42 1bvz s ARG 323 CO 0.01 -0.48 0.35 -0.51 0.00 0.00 0.00 175.30 174.66 1bvz s LEU 324 N 1.45 4.38 -0.12 -0.88 1.43 0.23 -2.42 118.68 122.75 1bvz s LEU 324 Ca -0.02 0.73 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 1bvz s LEU 324 Cb -0.17 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.26 1bvz s LEU 324 CO -0.07 0.23 -0.14 -0.62 0.23 0.00 0.00 176.35 175.98 1bvz s ASP 325 N -1.60 3.95 -1.50 2.29 2.15 -1.01 -2.16 116.67 118.79 1bvz s ASP 325 Ca 0.29 -0.33 -0.09 0.00 0.43 0.00 0.00 52.55 52.86 1bvz s ASP 325 Cb -0.14 -1.49 0.06 0.00 -0.30 0.00 0.00 42.92 41.05 1bvz s ASP 325 CO 0.16 0.19 0.72 0.52 -0.17 0.00 0.00 175.17 176.59 1bvz n VAL 326 N 3.36 -2.51 0.27 1.11 0.31 -1.26 -4.33 118.33 115.29 1bvz n VAL 326 Ca -0.18 -0.23 0.10 0.00 -0.01 0.00 0.00 64.34 64.02 1bvz n VAL 326 Cb 0.53 -2.67 0.73 0.00 -0.91 0.00 0.00 33.84 31.52 1bvz n VAL 326 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bvz h ALA 327 N 0.90 1.81 -0.00 3.52 0.00 -1.74 -1.02 119.26 122.73 1bvz h ALA 327 Ca -0.60 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1bvz h ALA 327 Cb 1.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1bvz h ALA 327 CO 0.67 0.01 -0.06 0.27 0.00 0.00 0.00 179.25 180.14 1bvz n ASN 328 N -4.27 0.15 -0.90 0.00 0.23 -1.26 -3.12 115.26 106.08 1bvz n ASN 328 Ca -0.03 -0.14 0.11 0.00 -0.53 0.00 0.00 54.58 53.99 1bvz n ASN 328 Cb 0.10 -0.24 0.28 0.00 -2.08 0.00 0.00 39.78 37.83 1bvz n ASN 328 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1bvz n GLU 329 N -1.25 2.18 -4.64 -3.83 1.02 -0.38 -4.85 120.64 108.87 1bvz n GLU 329 Ca 0.12 -1.78 -0.30 0.00 -0.02 0.00 0.00 57.16 55.19 1bvz n GLU 329 Cb 0.27 -1.46 -0.14 0.00 -0.02 0.00 0.00 31.44 30.10 1bvz n GLU 329 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1bvz s VAL 330 N -1.60 2.21 0.79 2.62 -7.23 -1.18 -5.06 120.40 110.94 1bvz s VAL 330 Ca 0.36 -1.57 -0.12 0.00 -1.81 0.00 0.00 61.98 58.83 1bvz s VAL 330 Cb 0.20 -1.92 0.07 0.00 0.56 0.00 0.00 36.38 35.29 1bvz s VAL 330 CO 0.29 0.23 1.14 1.51 -0.31 0.00 0.00 175.10 177.95 1bvz s ASP 331 N -1.66 4.05 0.19 4.85 -4.77 -1.26 -4.89 116.67 113.18 1bvz s ASP 331 Ca 0.13 2.08 -0.06 0.00 -3.30 0.00 0.00 52.55 51.40 1bvz s ASP 331 Cb -0.10 -2.56 0.10 0.00 -1.09 0.00 0.00 42.92 39.28 1bvz s ASP 331 CO 0.04 -2.35 1.56 0.45 0.70 0.00 0.00 175.17 175.57 1bvz h HIS 332 N -0.98 0.93 -0.06 2.11 3.86 -1.97 -2.94 115.15 116.10 1bvz h HIS 332 Ca -0.45 -0.25 0.04 0.00 -1.16 0.00 0.00 60.37 58.55 1bvz h HIS 332 Cb 1.26 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 29.46 1bvz h HIS 332 CO 0.53 1.01 -0.41 0.00 0.86 0.00 0.00 177.93 179.92 1bvz h ALA 333 N 0.96 -0.61 -0.76 2.45 0.00 -1.99 -0.20 119.26 119.11 1bvz h ALA 333 Ca 0.07 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1bvz h ALA 333 Cb 0.87 0.73 -0.13 0.00 0.00 0.00 0.00 17.79 19.27 1bvz h ALA 333 CO 0.08 -0.92 -0.39 0.35 0.00 0.00 0.00 179.25 178.36 1bvz h PHE 334 N -0.53 -1.11 -0.09 0.00 3.04 -1.86 -1.69 116.94 114.70 1bvz h PHE 334 Ca 0.06 0.09 -0.12 0.00 3.98 0.00 0.00 57.97 61.98 1bvz h PHE 334 Cb 0.63 0.60 -0.01 0.00 2.56 0.00 0.00 35.95 39.72 1bvz h PHE 334 CO -0.44 -0.40 -0.47 -1.49 -2.02 0.00 0.00 178.31 173.50 1bvz h TRP 335 N -0.11 0.27 -0.63 0.41 4.06 -1.11 0.25 115.95 119.09 1bvz h TRP 335 Ca 0.26 -0.08 -0.05 0.00 2.06 0.00 0.00 58.89 61.08 1bvz h TRP 335 Cb 0.56 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.64 1bvz h TRP 335 CO -0.76 0.65 0.19 0.00 -3.56 0.00 0.00 178.44 174.96 1bvz h ARG 336 N 0.18 0.99 0.06 0.49 3.08 -0.67 -0.24 114.38 118.26 1bvz h ARG 336 Ca 0.01 -0.22 -0.24 0.00 0.07 0.00 0.00 59.98 59.61 1bvz h ARG 336 Cb 0.90 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1bvz h ARG 336 CO 0.07 0.87 -1.06 0.93 -1.07 0.00 0.00 179.97 179.72 1bvz h GLU 337 N 0.91 0.23 -0.31 0.04 5.08 -0.98 -2.55 114.58 116.99 1bvz h GLU 337 Ca 0.20 -0.32 0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1bvz h GLU 337 Cb 0.30 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1bvz h GLU 337 CO -0.00 1.10 0.02 0.35 -1.00 0.00 0.00 179.01 179.47 1bvz h PHE 338 N 0.10 0.03 0.21 4.33 3.57 -0.42 0.19 116.94 124.95 1bvz h PHE 338 Ca -0.08 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.45 1bvz h PHE 338 Cb 1.75 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 40.49 1bvz h PHE 338 CO 0.04 -0.03 -0.43 -0.09 -2.23 0.00 0.00 178.31 175.58 1bvz h ARG 339 N 0.12 -0.70 -0.51 1.11 2.43 -0.98 -0.14 114.38 115.72 1bvz h ARG 339 Ca 0.15 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.47 1bvz h ARG 339 Cb 0.19 0.16 -0.10 0.00 -0.42 0.00 0.00 29.97 29.79 1bvz h ARG 339 CO -0.23 -0.47 -0.23 -0.09 -1.51 0.00 0.00 179.97 177.44 1bvz h ARG 340 N -0.73 -0.11 0.00 0.20 2.43 -1.33 0.13 114.38 114.97 1bvz h ARG 340 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1bvz h ARG 340 Cb 0.72 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1bvz h ARG 340 CO -0.20 -0.07 0.00 -0.11 -1.51 0.00 0.00 179.97 178.08 1bvz n LEU 341 N -5.41 0.00 -0.33 3.80 7.94 0.04 -1.23 117.00 121.82 1bvz n LEU 341 Ca 0.04 0.90 0.12 0.00 -1.11 0.00 0.00 56.01 55.97 1bvz n LEU 341 Cb 0.32 -0.40 0.31 0.00 0.53 0.00 0.00 43.42 44.18 1bvz n LEU 341 CO 0.07 -0.40 1.13 0.58 -1.11 0.00 0.00 177.39 177.65 1bvz h VAL 342 N 0.00 0.62 0.00 1.96 2.07 -1.01 -1.45 116.25 118.44 1bvz h VAL 342 Ca 0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1bvz h VAL 342 Cb 0.00 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 1bvz h VAL 342 CO 0.00 0.11 -0.15 0.11 0.02 0.00 0.00 177.57 177.66 1bvz h LYS 343 N 0.60 0.00 0.24 1.57 1.79 -0.48 0.15 116.57 120.44 1bvz h LYS 343 Ca 0.56 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.69 1bvz h LYS 343 Cb 0.94 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.62 1bvz h LYS 343 CO -0.43 0.00 -1.52 0.66 -1.08 0.00 0.00 179.45 177.08 1bvz h SER 344 N 0.00 0.80 -0.15 0.86 4.64 -0.15 -3.23 113.55 116.32 1bvz h SER 344 Ca 0.00 -0.90 -0.06 0.00 -0.47 0.00 0.00 61.79 60.36 1bvz h SER 344 Cb 0.79 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1bvz h SER 344 CO 0.00 1.71 -0.15 -0.07 -0.87 0.00 0.00 176.83 177.45 1bvz h LEU 345 N 0.14 0.39 -7.10 5.97 3.38 -1.03 -3.41 115.31 113.65 1bvz h LEU 345 Ca -0.27 -0.48 -0.48 0.00 0.09 0.00 0.00 57.88 56.74 1bvz h LEU 345 Cb 2.16 -0.11 -0.41 0.00 0.09 0.00 0.00 40.66 42.39 1bvz h LEU 345 CO 0.26 0.79 -0.76 0.21 0.09 0.00 0.00 178.44 179.03 1bvz s ASN 346 N -6.14 2.57 0.28 -0.43 2.47 0.49 -5.04 114.94 109.14 1bvz s ASN 346 Ca -0.14 -0.71 -0.02 0.00 0.42 0.00 0.00 52.86 52.41 1bvz s ASN 346 Cb 0.05 -0.35 0.38 0.00 -1.45 0.00 0.00 41.25 39.88 1bvz s ASN 346 CO 0.76 -0.34 1.86 -0.65 -3.72 0.00 0.00 177.10 175.00 1bvz h PRO 347 N 8.37 0.95 0.00 0.43 0.11 -1.77 -2.06 132.00 138.02 1bvz h PRO 347 Ca -0.16 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1bvz h PRO 347 Cb 1.13 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1bvz h PRO 347 CO 0.31 0.77 0.00 -0.25 -0.21 0.00 0.00 178.00 178.62 1bvz n ASP 348 N -4.31 0.00 -4.72 -2.05 8.00 -1.26 -4.77 116.55 107.44 1bvz n ASP 348 Ca 0.06 -0.68 -0.42 0.00 0.71 0.00 0.00 54.79 54.46 1bvz n ASP 348 Cb 0.17 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 1bvz n ASP 348 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bvz s ALA 349 N -2.17 3.71 0.18 2.24 0.00 -0.78 -4.85 121.76 120.10 1bvz s ALA 349 Ca 0.39 1.31 -0.22 0.00 0.00 0.00 0.00 51.96 53.43 1bvz s ALA 349 Cb 0.20 -3.59 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 1bvz s ALA 349 CO 0.36 -0.73 0.74 -1.17 0.00 0.00 0.00 175.76 174.96 1bvz s LEU 350 N 0.90 4.48 -0.42 0.00 2.96 -0.31 -4.87 118.68 121.41 1bvz s LEU 350 Ca 0.67 1.52 0.03 0.00 -0.22 0.00 0.00 54.13 56.13 1bvz s LEU 350 Cb -0.42 -3.39 0.12 0.00 0.50 0.00 0.00 46.19 43.00 1bvz s LEU 350 CO 0.33 0.14 0.18 -0.63 -1.32 0.00 0.00 176.35 175.04 1bvz s ILE 351 N -1.31 1.98 0.13 6.68 1.01 -1.26 -1.04 121.20 127.39 1bvz s ILE 351 Ca 0.38 -2.61 -0.13 0.00 0.00 0.00 0.00 60.65 58.29 1bvz s ILE 351 Cb -0.20 -2.41 -0.07 0.00 0.01 0.00 0.00 42.46 39.79 1bvz s ILE 351 CO 0.23 -0.75 0.51 -0.69 0.00 0.00 0.00 174.94 174.24 1bvz s VAL 352 N 0.45 4.93 0.35 2.92 1.01 -0.71 -1.39 120.40 127.96 1bvz s VAL 352 Ca 0.15 0.71 0.07 0.00 0.00 0.00 0.00 61.98 62.90 1bvz s VAL 352 Cb -0.23 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1bvz s VAL 352 CO -0.05 0.24 0.36 -0.83 0.00 0.00 0.00 175.10 174.82 1bvz s GLY 353 N -1.76 1.80 -0.41 4.51 0.00 -0.48 -0.60 107.32 110.39 1bvz s GLY 353 Ca 0.37 -1.65 0.04 0.00 0.00 0.00 0.00 44.72 43.48 1bvz s GLY 353 CO 0.19 -1.55 0.14 1.85 0.00 0.00 0.00 173.10 173.73 1bvz s GLU 354 N -4.07 1.61 -0.09 2.90 2.12 -0.92 -2.33 118.70 117.92 1bvz s GLU 354 Ca 0.44 -2.11 0.00 0.00 0.36 0.00 0.00 54.97 53.66 1bvz s GLU 354 Cb -0.06 -3.15 0.02 0.00 0.26 0.00 0.00 34.13 31.20 1bvz s GLU 354 CO 0.28 -1.01 -0.07 0.42 -0.54 0.00 0.00 175.26 174.34 1bvz s ILE 355 N 0.48 0.90 -0.71 -3.70 1.01 -1.26 -4.26 121.20 113.66 1bvz s ILE 355 Ca 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 1bvz s ILE 355 Cb -0.22 -0.91 0.38 0.00 0.01 0.00 0.00 42.46 41.72 1bvz s ILE 355 CO -0.06 0.33 2.07 0.79 0.00 0.00 0.00 174.94 178.07 1bvz n TRP 356 N 4.58 2.97 -3.64 3.97 5.03 -1.26 -4.83 117.44 124.25 1bvz n TRP 356 Ca -0.16 -2.65 -0.05 0.00 3.03 0.00 0.00 57.50 57.67 1bvz n TRP 356 Cb 0.51 -1.32 -0.02 0.00 -1.03 0.00 0.00 31.31 29.45 1bvz n TRP 356 CO 0.00 0.00 0.00 -3.38 -0.03 0.00 0.00 177.69 174.28 1bvz s HIS 357 N -3.72 -0.20 -0.29 -5.99 -3.43 -1.26 -5.11 115.29 95.29 1bvz s HIS 357 Ca 0.58 -0.01 -0.39 0.00 -0.80 0.00 0.00 55.06 54.43 1bvz s HIS 357 Cb 0.46 0.59 -0.15 0.00 -1.43 0.00 0.00 32.58 32.05 1bvz s HIS 357 CO -0.18 -0.65 1.84 -3.47 -2.00 0.00 0.00 174.74 170.29 1bvz n ASP 358 N -0.37 2.39 -0.91 7.38 2.03 -1.26 -4.84 116.55 120.96 1bvz n ASP 358 Ca -0.07 0.95 0.07 0.00 0.52 0.00 0.00 54.79 56.26 1bvz n ASP 358 Cb 0.61 -1.17 0.21 0.00 -0.72 0.00 0.00 41.12 40.05 1bvz n ASP 358 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bvz n ALA 359 N 6.28 2.55 -0.35 -1.67 0.00 -1.26 -4.68 120.51 121.38 1bvz n ALA 359 Ca 0.30 -0.85 0.14 0.00 0.00 0.00 0.00 53.44 53.02 1bvz n ALA 359 Cb 0.15 -0.98 0.34 0.00 0.00 0.00 0.00 19.45 18.96 1bvz n ALA 359 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bvz h SER 360 N 2.65 0.76 -0.86 0.00 4.64 -1.88 0.03 113.55 118.90 1bvz h SER 360 Ca 0.00 0.10 0.18 0.00 -0.47 0.00 0.00 61.79 61.59 1bvz h SER 360 Cb 0.72 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 62.70 1bvz h SER 360 CO 0.04 0.26 0.56 1.23 -0.87 0.00 0.00 176.83 178.06 1bvz h GLY 361 N 0.74 0.89 1.19 -0.77 0.00 -2.00 -1.18 103.07 101.95 1bvz h GLY 361 Ca 0.58 -0.21 -0.26 0.00 0.00 0.00 0.00 47.33 47.45 1bvz h GLY 361 CO -0.38 0.03 -1.51 1.49 0.00 0.00 0.00 176.54 176.18 1bvz h TRP 362 N 0.46 0.00 -0.97 5.60 6.55 -1.38 -3.39 115.95 122.82 1bvz h TRP 362 Ca 0.44 0.00 -0.66 0.00 0.95 0.00 0.00 58.89 59.62 1bvz h TRP 362 Cb 0.99 0.00 -0.28 0.00 -0.86 0.00 0.00 29.16 29.01 1bvz h TRP 362 CO -0.00 0.93 0.85 1.28 -1.05 0.00 0.00 178.44 180.45 1bvz n LEU 363 N -3.08 7.63 0.03 -4.49 4.77 -0.45 -2.56 117.00 118.85 1bvz n LEU 363 Ca -0.12 -4.22 0.12 0.00 -0.03 0.00 0.00 56.01 51.75 1bvz n LEU 363 Cb 1.00 -0.98 0.14 0.00 -2.33 0.00 0.00 43.42 41.24 1bvz n LEU 363 CO 0.45 1.45 0.26 0.80 -1.33 0.00 0.00 177.39 179.02 1bvz n MET 364 N -0.85 0.18 0.00 3.23 1.56 -1.22 -4.50 117.12 115.53 1bvz n MET 364 Ca 0.61 0.03 0.00 0.00 -0.27 0.00 0.00 57.70 58.07 1bvz n MET 364 Cb 0.67 -1.59 0.00 0.00 2.15 0.00 0.00 33.22 34.45 1bvz n MET 364 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1bvz n GLY 365 N 1.41 1.71 0.06 -5.12 0.00 -1.26 -4.72 105.19 97.27 1bvz n GLY 365 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1bvz n GLY 365 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bvz n ASP 366 N 0.00 1.23 -0.02 1.61 5.75 -1.26 -4.78 116.55 119.07 1bvz n ASP 366 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.77 1bvz n ASP 366 Cb 0.00 1.03 -0.00 0.00 -1.03 0.00 0.00 41.12 41.12 1bvz n ASP 366 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1bvz h GLN 367 N 0.00 0.00 -5.52 0.11 4.20 -1.83 -3.38 115.11 108.68 1bvz h GLN 367 Ca -0.34 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.81 1bvz h GLN 367 Cb 1.74 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 29.38 1bvz h GLN 367 CO 0.02 0.00 -0.63 -0.06 -0.67 0.00 0.00 178.83 177.49 1bvz s PHE 368 N -1.29 2.22 -0.20 2.96 0.08 -1.06 -4.71 117.98 115.98 1bvz s PHE 368 Ca -0.03 -0.75 -0.16 0.00 0.12 0.00 0.00 56.93 56.11 1bvz s PHE 368 Cb 0.00 -1.45 -0.20 0.00 -0.57 0.00 0.00 43.02 40.81 1bvz s PHE 368 CO 0.05 0.29 0.14 -0.25 -0.10 0.00 0.00 175.22 175.35 1bvz n ASP 369 N -0.79 1.94 -2.79 1.36 8.00 -0.49 -4.48 116.55 119.31 1bvz n ASP 369 Ca -0.04 0.34 -0.14 0.00 0.71 0.00 0.00 54.79 55.65 1bvz n ASP 369 Cb 0.66 -0.90 -0.05 0.00 -0.02 0.00 0.00 41.12 40.81 1bvz n ASP 369 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1bvz n SER 370 N -4.15 -0.89 -4.11 -2.24 3.41 -1.24 -4.39 113.62 100.01 1bvz n SER 370 Ca -0.36 -2.73 -0.10 0.00 -0.26 0.00 0.00 58.87 55.42 1bvz n SER 370 Cb 0.81 1.81 -0.09 0.00 -0.26 0.00 0.00 64.21 66.48 1bvz n SER 370 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1bvz s VAL 371 N -2.94 0.05 0.08 -3.33 -7.23 -1.26 -1.38 120.40 104.38 1bvz s VAL 371 Ca 0.29 -1.76 -0.31 0.00 -1.81 0.00 0.00 61.98 58.39 1bvz s VAL 371 Cb 0.00 -2.18 -0.07 0.00 0.56 0.00 0.00 36.38 34.70 1bvz s VAL 371 CO 0.21 -0.21 1.30 -0.04 -0.31 0.00 0.00 175.10 176.04 1bvz s MET 372 N -4.06 4.37 -1.03 4.82 -1.94 -0.98 -2.62 119.30 117.84 1bvz s MET 372 Ca 0.27 1.91 -0.20 0.00 -1.71 0.00 0.00 55.69 55.97 1bvz s MET 372 Cb 0.05 -3.33 0.10 0.00 2.01 0.00 0.00 34.83 33.67 1bvz s MET 372 CO 0.06 -0.36 1.34 1.21 -0.01 0.00 0.00 175.02 177.26 1bvz s ASN 373 N 1.15 6.66 0.24 3.03 3.84 0.09 -4.77 114.94 125.19 1bvz s ASN 373 Ca 0.62 -1.98 -0.02 0.00 0.21 0.00 0.00 52.86 51.69 1bvz s ASN 373 Cb -0.33 -2.48 0.28 0.00 -0.55 0.00 0.00 41.25 38.17 1bvz s ASN 373 CO 0.29 -1.20 1.68 0.10 -2.79 0.00 0.00 177.10 175.18 1bvz h TYR 374 N 8.86 0.76 -0.55 0.43 -0.00 -1.90 -3.16 116.97 121.40 1bvz h TYR 374 Ca 0.22 -0.16 -0.01 0.00 -0.00 0.00 0.00 58.73 58.78 1bvz h TYR 374 Cb 0.99 -0.19 -0.03 0.00 -0.00 0.00 0.00 36.73 37.50 1bvz h TYR 374 CO 1.23 0.83 0.30 -0.07 -0.00 0.00 0.00 178.16 180.44 1bvz h LEU 375 N 0.60 0.67 -0.32 0.10 4.07 -1.99 -0.50 115.31 117.93 1bvz h LEU 375 Ca 0.09 -0.05 0.02 0.00 0.08 0.00 0.00 57.88 58.02 1bvz h LEU 375 Cb 0.68 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.22 1bvz h LEU 375 CO 0.05 0.55 0.16 0.15 -1.08 0.00 0.00 178.44 178.27 1bvz h PHE 376 N 0.76 0.30 -0.30 1.13 3.04 -1.92 -2.70 116.94 117.25 1bvz h PHE 376 Ca 0.20 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.14 1bvz h PHE 376 Cb 0.03 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 1bvz h PHE 376 CO 0.00 0.16 0.12 -0.09 -2.02 0.00 0.00 178.31 176.49 1bvz h ARG 377 N 0.33 0.45 -0.32 1.11 2.43 -1.16 -0.32 114.38 116.90 1bvz h ARG 377 Ca 0.13 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1bvz h ARG 377 Cb 0.04 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1bvz h ARG 377 CO -0.09 0.46 -0.02 0.93 -1.51 0.00 0.00 179.97 179.74 1bvz h GLU 378 N 0.34 0.49 0.01 0.20 5.08 -1.14 -0.56 114.58 119.01 1bvz h GLU 378 Ca 0.10 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1bvz h GLU 378 Cb 0.18 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1bvz h GLU 378 CO -0.01 0.53 -0.01 0.77 -1.00 0.00 0.00 179.01 179.30 1bvz h SER 379 N 0.47 -0.02 -1.05 1.42 0.02 -1.41 -2.48 113.55 110.51 1bvz h SER 379 Ca 0.10 0.00 0.27 0.00 -0.84 0.00 0.00 61.79 61.32 1bvz h SER 379 Cb 0.34 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.78 1bvz h SER 379 CO 0.01 -0.01 0.67 -0.37 -1.14 0.00 0.00 176.83 175.99 1bvz h VAL 380 N -0.03 0.51 0.06 2.27 -1.51 -0.91 0.35 116.25 117.00 1bvz h VAL 380 Ca -0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 1bvz h VAL 380 Cb 0.01 0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 29.24 1bvz h VAL 380 CO 0.00 0.07 -0.11 0.40 -1.23 0.00 0.00 177.57 176.70 1bvz h ILE 381 N 0.40 0.00 -0.72 7.19 1.08 -1.22 -0.53 117.51 123.72 1bvz h ILE 381 Ca 0.61 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 65.13 1bvz h ILE 381 Cb 1.52 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 35.22 1bvz h ILE 381 CO -0.32 0.00 0.42 0.03 -0.69 0.00 0.00 178.15 177.59 1bvz h ARG 382 N -0.19 0.76 0.00 2.37 3.08 0.07 0.32 114.38 120.79 1bvz h ARG 382 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1bvz h ARG 382 Cb 0.18 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1bvz h ARG 382 CO -0.05 0.50 0.00 0.34 -1.07 0.00 0.00 179.97 179.70 1bvz n PHE 383 N -4.72 0.00 0.02 3.04 7.35 0.14 -0.69 117.46 122.59 1bvz n PHE 383 Ca 0.09 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.61 1bvz n PHE 383 Cb 0.16 -0.23 -0.07 0.00 0.35 0.00 0.00 39.48 39.69 1bvz n PHE 383 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1bvz h PHE 384 N 0.00 0.96 0.00 -5.13 0.04 -1.13 -2.73 116.94 108.95 1bvz h PHE 384 Ca 0.00 -0.47 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1bvz h PHE 384 Cb 0.00 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.02 1bvz h PHE 384 CO 0.06 1.29 0.00 0.00 -0.60 0.00 0.00 178.31 179.06 1bvz n ALA 385 N -2.60 0.00 0.26 2.45 0.00 -0.03 -4.37 120.51 116.21 1bvz n ALA 385 Ca -0.08 -0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1bvz n ALA 385 Cb 0.80 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.94 1bvz n ALA 385 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1bvz h THR 386 N 0.00 0.43 -5.80 0.00 1.35 -1.35 -3.44 112.91 104.11 1bvz h THR 386 Ca 0.00 -0.64 -0.36 0.00 -0.55 0.00 0.00 66.41 64.86 1bvz h THR 386 Cb 0.00 1.45 0.13 0.00 -1.73 0.00 0.00 68.15 68.00 1bvz h THR 386 CO 0.00 0.12 -0.79 0.61 -0.25 0.00 0.00 175.52 175.21 1bvz n GLY 387 N -0.39 -0.34 0.37 5.82 0.00 -0.79 -4.95 105.19 104.91 1bvz n GLY 387 Ca -0.01 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.22 1bvz n GLY 387 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bvz n GLU 388 N -4.18 1.25 -4.14 1.61 1.02 0.13 -4.98 120.64 111.36 1bvz n GLU 388 Ca -0.29 -0.76 -0.10 0.00 -0.02 0.00 0.00 57.16 55.98 1bvz n GLU 388 Cb 0.67 -1.41 -0.10 0.00 -0.02 0.00 0.00 31.44 30.58 1bvz n GLU 388 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1bvz s ILE 389 N -2.38 0.60 0.47 -3.67 -4.36 -1.19 -5.00 121.20 105.67 1bvz s ILE 389 Ca 0.15 -1.76 0.06 0.00 -0.26 0.00 0.00 60.65 58.83 1bvz s ILE 389 Cb 0.16 -1.47 -0.01 0.00 1.25 0.00 0.00 42.46 42.39 1bvz s ILE 389 CO 0.56 -0.81 0.27 -1.38 0.24 0.00 0.00 174.94 173.83 1bvz s HIS 390 N -3.27 2.18 0.41 1.37 -3.43 -1.26 -4.57 115.29 106.72 1bvz s HIS 390 Ca 0.07 -0.71 0.10 0.00 -0.80 0.00 0.00 55.06 53.72 1bvz s HIS 390 Cb 0.03 -1.93 0.91 0.00 -1.43 0.00 0.00 32.58 30.16 1bvz s HIS 390 CO -0.05 -0.09 2.01 0.00 -2.00 0.00 0.00 174.74 174.61 1bvz h ALA 391 N 1.12 1.83 0.00 -1.38 0.00 -1.83 -1.79 119.26 117.21 1bvz h ALA 391 Ca -0.41 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 1bvz h ALA 391 Cb 1.28 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1bvz h ALA 391 CO 0.64 0.09 -0.74 0.93 0.00 0.00 0.00 179.25 180.17 1bvz h GLU 392 N 0.53 0.00 -0.16 0.00 5.08 -1.90 -2.24 114.58 115.88 1bvz h GLU 392 Ca 0.23 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.43 1bvz h GLU 392 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1bvz h GLU 392 CO -0.06 0.74 -0.54 -0.09 -1.00 0.00 0.00 179.01 178.06 1bvz h ARG 393 N 0.00 0.48 0.44 2.33 1.12 -1.73 -1.17 114.38 115.85 1bvz h ARG 393 Ca -0.01 -0.29 -0.02 0.00 -1.11 0.00 0.00 59.98 58.55 1bvz h ARG 393 Cb 1.31 0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 31.30 1bvz h ARG 393 CO 0.10 0.89 -0.26 0.35 -3.11 0.00 0.00 179.97 177.94 1bvz h PHE 394 N 0.37 -0.69 -0.94 2.20 3.57 -1.27 -1.16 116.94 119.02 1bvz h PHE 394 Ca 0.01 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.66 1bvz h PHE 394 Cb 1.06 0.25 -0.16 0.00 2.79 0.00 0.00 35.95 39.88 1bvz h PHE 394 CO 0.04 -0.39 -0.33 0.22 -2.23 0.00 0.00 178.31 175.62 1bvz h ASP 395 N -0.65 -1.20 -0.97 0.41 1.82 -1.37 0.20 116.42 114.66 1bvz h ASP 395 Ca -0.06 0.29 0.09 0.00 -0.39 0.00 0.00 57.03 56.96 1bvz h ASP 395 Cb 0.52 0.68 -0.07 0.00 0.68 0.00 0.00 39.33 41.13 1bvz h ASP 395 CO 0.06 -0.30 0.61 0.00 -1.61 0.00 0.00 179.24 178.00 1bvz h ALA 396 N 1.56 1.38 0.00 -0.78 0.00 -1.20 0.90 119.26 121.13 1bvz h ALA 396 Ca 0.38 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.13 1bvz h ALA 396 Cb 0.63 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1bvz h ALA 396 CO -0.96 0.31 -0.76 0.93 0.00 0.00 0.00 179.25 178.77 1bvz h GLU 397 N 1.04 0.00 0.24 0.00 5.08 0.56 -0.28 114.58 121.22 1bvz h GLU 397 Ca 0.44 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.79 1bvz h GLU 397 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1bvz h GLU 397 CO -0.21 0.76 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.37 1bvz h LEU 398 N 0.00 -0.27 -0.91 1.33 4.07 -0.51 -3.09 115.31 115.92 1bvz h LEU 398 Ca -0.01 -0.26 -0.05 0.00 0.08 0.00 0.00 57.88 57.64 1bvz h LEU 398 Cb 1.49 0.07 -0.03 0.00 1.08 0.00 0.00 40.66 43.27 1bvz h LEU 398 CO 0.10 0.18 0.18 0.74 -1.08 0.00 0.00 178.44 178.57 1bvz h THR 399 N -0.82 1.24 0.24 0.22 2.02 -0.87 -0.72 112.91 114.22 1bvz h THR 399 Ca -0.03 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 1bvz h THR 399 Cb 0.51 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1bvz h THR 399 CO 0.05 0.33 -0.26 -0.09 0.37 0.00 0.00 175.52 175.92 1bvz h ARG 400 N 0.95 -0.49 -0.78 6.66 2.43 -1.16 -2.97 114.38 119.03 1bvz h ARG 400 Ca 0.21 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.58 1bvz h ARG 400 Cb 0.29 0.11 -0.14 0.00 -0.42 0.00 0.00 29.97 29.81 1bvz h ARG 400 CO -0.01 -0.33 -0.06 0.00 -1.51 0.00 0.00 179.97 178.07 1bvz h ALA 401 N -1.28 0.73 -0.73 2.80 0.00 -1.45 -2.42 119.26 116.90 1bvz h ALA 401 Ca -0.03 0.27 0.14 0.00 0.00 0.00 0.00 54.91 55.29 1bvz h ALA 401 Cb 0.45 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1bvz h ALA 401 CO -0.05 -0.43 0.49 -0.09 0.00 0.00 0.00 179.25 179.17 1bvz h ARG 402 N 0.06 0.41 -0.33 0.00 2.43 -0.97 -0.73 114.38 115.26 1bvz h ARG 402 Ca 0.41 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1bvz h ARG 402 Cb 0.71 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1bvz h ARG 402 CO -0.72 0.27 0.00 -1.33 -1.51 0.00 0.00 179.97 176.68 1bvz n MET 403 N -4.48 2.07 0.20 0.20 2.81 -0.92 -4.05 117.12 112.96 1bvz n MET 403 Ca 0.14 -1.62 0.04 0.00 -1.81 0.00 0.00 57.70 54.45 1bvz n MET 403 Cb 0.50 -1.42 0.44 0.00 -0.71 0.00 0.00 33.22 32.02 1bvz n MET 403 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1bvz h LEU 404 N 3.03 0.00 -8.51 4.03 3.38 -1.13 -3.48 115.31 112.64 1bvz h LEU 404 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1bvz h LEU 404 Cb 0.67 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.28 1bvz h LEU 404 CO 0.00 0.29 -0.60 -0.31 0.09 0.00 0.00 178.44 177.92 1bvz s TYR 405 N -4.28 1.00 0.87 1.13 2.02 -1.26 -4.77 117.35 112.07 1bvz s TYR 405 Ca -0.03 -1.29 -0.12 0.00 -0.37 0.00 0.00 57.07 55.27 1bvz s TYR 405 Cb 0.14 -0.49 0.12 0.00 -0.40 0.00 0.00 41.96 41.33 1bvz s TYR 405 CO 0.70 -0.62 1.16 -2.30 -1.57 0.00 0.00 175.55 172.93 1bvz n PRO 406 N -0.21 -0.16 -0.14 -1.71 -0.02 -1.26 -4.73 135.00 126.77 1bvz n PRO 406 Ca -0.01 0.03 -0.06 0.00 -2.02 0.00 0.00 63.50 61.44 1bvz n PRO 406 Cb 0.65 -2.40 0.11 0.00 -0.02 0.00 0.00 33.50 31.84 1bvz n PRO 406 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1bvz h GLU 407 N -1.44 0.87 -0.29 -0.52 4.11 -1.93 -1.01 114.58 114.38 1bvz h GLU 407 Ca -0.45 -0.26 -0.02 0.00 0.07 0.00 0.00 59.36 58.70 1bvz h GLU 407 Cb 1.28 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1bvz h GLU 407 CO 0.43 0.89 0.10 1.96 0.07 0.00 0.00 179.01 182.46 1bvz h GLN 408 N 0.80 0.40 0.18 1.06 7.50 -1.91 0.25 115.11 123.39 1bvz h GLN 408 Ca 0.15 -0.05 -0.24 0.00 0.50 0.00 0.00 58.65 59.01 1bvz h GLN 408 Cb 0.53 -0.08 0.03 0.00 0.05 0.00 0.00 27.48 28.01 1bvz h GLN 408 CO 0.03 0.35 -1.05 0.00 -1.50 0.00 0.00 178.83 176.66 1bvz h ALA 409 N 1.71 -0.11 -0.61 3.87 0.00 -1.57 -3.36 119.26 119.19 1bvz h ALA 409 Ca 0.10 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 1bvz h ALA 409 Cb 0.11 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1bvz h ALA 409 CO -0.01 0.49 0.38 0.00 0.00 0.00 0.00 179.25 180.11 1bvz h ALA 410 N 0.10 1.51 0.00 0.00 0.00 0.42 -0.15 119.26 121.14 1bvz h ALA 410 Ca -0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1bvz h ALA 410 Cb 1.82 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1bvz h ALA 410 CO 0.19 0.43 0.00 1.04 0.00 0.00 0.00 179.25 180.91 1bvz n GLN 411 N -4.42 0.74 0.00 0.00 6.02 0.64 -3.43 117.38 116.93 1bvz n GLN 411 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1bvz n GLN 411 Cb 0.07 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.23 1bvz n GLN 411 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bvz n GLY 412 N 0.21 0.33 3.76 1.08 0.00 -0.09 -4.12 105.19 106.36 1bvz n GLY 412 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1bvz n GLY 412 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bvz s LEU 413 N 0.00 4.03 -0.50 0.99 1.43 -1.07 -4.29 118.68 119.26 1bvz s LEU 413 Ca 0.00 2.76 -0.22 0.00 -1.03 0.00 0.00 54.13 55.64 1bvz s LEU 413 Cb 0.00 -4.08 0.04 0.00 0.03 0.00 0.00 46.19 42.18 1bvz s LEU 413 CO 0.00 -1.24 0.75 0.26 0.23 0.00 0.00 176.35 176.35 1bvz s TRP 414 N -1.28 2.96 -0.58 0.29 0.52 -1.08 -0.14 118.94 119.63 1bvz s TRP 414 Ca 0.64 -0.16 -0.23 0.00 0.02 0.00 0.00 56.10 56.37 1bvz s TRP 414 Cb -0.40 -3.68 0.05 0.00 -1.15 0.00 0.00 33.47 28.29 1bvz s TRP 414 CO 0.50 -1.09 0.92 -0.80 0.02 0.00 0.00 176.95 176.49 1bvz s ASN 415 N 2.50 6.27 0.10 2.95 0.01 0.06 -0.73 114.94 126.11 1bvz s ASN 415 Ca 0.24 -0.62 0.06 0.00 -0.71 0.00 0.00 52.86 51.83 1bvz s ASN 415 Cb -0.15 -2.42 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 1bvz s ASN 415 CO 0.17 -1.27 -0.04 -1.48 -1.51 0.00 0.00 177.10 172.98 1bvz s LEU 416 N 3.86 3.30 -0.04 0.60 2.34 -1.26 -2.65 118.68 124.84 1bvz s LEU 416 Ca 0.26 -0.26 -0.03 0.00 0.06 0.00 0.00 54.13 54.16 1bvz s LEU 416 Cb -0.15 -2.06 -0.27 0.00 -0.56 0.00 0.00 46.19 43.15 1bvz s LEU 416 CO 0.15 0.17 0.70 -0.07 -1.06 0.00 0.00 176.35 176.25 1bvz h LEU 417 N 3.49 0.39 0.00 1.48 3.38 -1.96 -3.35 115.31 118.73 1bvz h LEU 417 Ca -0.48 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 56.83 1bvz h LEU 417 Cb 1.17 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1bvz h LEU 417 CO 0.57 1.54 0.10 -0.90 0.09 0.00 0.00 178.44 179.84 1bvz n ASP 418 N -3.43 -0.97 -1.82 -0.43 5.68 -1.26 -4.79 116.55 109.52 1bvz n ASP 418 Ca -0.21 -1.72 -0.04 0.00 -0.50 0.00 0.00 54.79 52.32 1bvz n ASP 418 Cb 1.05 1.63 0.01 0.00 -1.14 0.00 0.00 41.12 42.68 1bvz n ASP 418 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1bvz n SER 419 N -1.32 -1.00 0.00 -1.12 3.41 -1.26 -4.80 113.62 107.54 1bvz n SER 419 Ca -0.03 -1.67 0.07 0.00 -0.26 0.00 0.00 58.87 56.97 1bvz n SER 419 Cb 0.26 1.66 0.40 0.00 -0.26 0.00 0.00 64.21 66.27 1bvz n SER 419 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bvz n HIS 420 N -0.25 0.00 0.00 7.33 1.44 -1.26 -1.65 115.22 120.83 1bvz n HIS 420 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 1bvz n HIS 420 Cb 0.26 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.37 1bvz n HIS 420 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1bvz n ASP 421 N -0.82 0.03 -4.67 4.39 8.00 -1.26 -4.66 116.55 117.55 1bvz n ASP 421 Ca 0.10 -0.48 -0.23 0.00 0.71 0.00 0.00 54.79 54.89 1bvz n ASP 421 Cb 0.05 0.97 -0.07 0.00 -0.02 0.00 0.00 41.12 42.04 1bvz n ASP 421 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1bvz s THR 422 N -0.97 3.54 1.01 -3.53 -4.23 -0.66 -4.52 115.64 106.28 1bvz s THR 422 Ca 0.00 -1.86 -0.12 0.00 -1.18 0.00 0.00 61.69 58.54 1bvz s THR 422 Cb 0.00 -2.91 0.20 0.00 1.34 0.00 0.00 72.50 71.13 1bvz s THR 422 CO 0.00 -0.37 1.08 -1.61 -0.54 0.00 0.00 174.62 173.18 1bvz s GLU 423 N -3.70 0.32 0.52 3.99 2.02 -1.26 -4.40 118.70 116.20 1bvz s GLU 423 Ca 0.32 0.90 -0.17 0.00 0.02 0.00 0.00 54.97 56.04 1bvz s GLU 423 Cb -0.06 -1.69 -0.07 0.00 0.10 0.00 0.00 34.13 32.40 1bvz s GLU 423 CO 0.20 -2.90 1.01 1.03 0.02 0.00 0.00 175.26 174.62 1bvz s ARG 424 N -4.72 3.78 0.03 1.61 0.52 0.36 -4.58 118.95 115.94 1bvz s ARG 424 Ca 0.66 1.10 -0.24 0.00 -0.52 0.00 0.00 55.73 56.72 1bvz s ARG 424 Cb -0.21 -2.11 -0.17 0.00 0.52 0.00 0.00 34.95 32.98 1bvz s ARG 424 CO 0.60 -0.42 1.46 0.35 0.02 0.00 0.00 175.30 177.31 1bvz h PHE 425 N 0.97 0.04 -0.84 -0.53 3.57 -1.88 0.03 116.94 118.31 1bvz h PHE 425 Ca -0.47 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.23 1bvz h PHE 425 Cb 1.20 -0.01 -0.13 0.00 2.79 0.00 0.00 35.95 39.80 1bvz h PHE 425 CO 0.61 0.31 0.23 1.25 -2.23 0.00 0.00 178.31 178.48 1bvz h LEU 426 N -0.25 0.04 -0.89 0.59 5.85 -1.93 0.30 115.31 119.02 1bvz h LEU 426 Ca 0.01 0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 1bvz h LEU 426 Cb 0.30 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1bvz h LEU 426 CO 0.00 -0.10 -0.52 0.74 -0.34 0.00 0.00 178.44 178.23 1bvz h THR 427 N 0.25 1.37 -0.67 1.05 2.02 -1.66 0.96 112.91 116.24 1bvz h THR 427 Ca 0.51 -1.78 -0.02 0.00 0.77 0.00 0.00 66.41 65.88 1bvz h THR 427 Cb 0.96 1.92 -0.03 0.00 -1.74 0.00 0.00 68.15 69.26 1bvz h THR 427 CO -0.59 0.52 0.33 0.28 0.37 0.00 0.00 175.52 176.43 1bvz h SER 428 N 0.08 0.84 -0.48 4.18 0.02 0.12 -1.13 113.55 117.18 1bvz h SER 428 Ca -0.00 -0.08 -0.25 0.00 -0.84 0.00 0.00 61.79 60.62 1bvz h SER 428 Cb 0.94 -0.22 -0.15 0.00 0.14 0.00 0.00 62.40 63.12 1bvz h SER 428 CO 0.07 0.70 0.32 0.00 -1.14 0.00 0.00 176.83 176.79 1bvz n GLY 430 N -0.27 -0.19 3.96 0.00 0.00 -0.43 0.01 105.19 108.26 1bvz n GLY 430 Ca 0.29 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1bvz n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bvz n GLY 431 N -0.88 1.42 3.59 -0.02 0.00 0.24 -4.91 105.19 104.63 1bvz n GLY 431 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1bvz n GLY 431 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bvz s ASN 432 N -2.96 6.07 0.21 1.61 3.84 0.10 -4.88 114.94 118.93 1bvz s ASN 432 Ca 0.00 0.92 -0.10 0.00 0.21 0.00 0.00 52.86 53.89 1bvz s ASN 432 Cb 0.00 -2.53 0.27 0.00 -0.55 0.00 0.00 41.25 38.44 1bvz s ASN 432 CO 0.00 -1.64 1.74 -0.08 -2.79 0.00 0.00 177.10 174.33 1bvz h GLU 433 N 11.88 0.37 0.00 0.43 4.81 -1.91 -2.91 114.58 127.25 1bvz h GLU 433 Ca -0.30 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.86 1bvz h GLU 433 Cb 1.13 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1bvz h GLU 433 CO 1.08 0.24 -0.24 0.00 -0.73 0.00 0.00 179.01 179.36 1bvz h ALA 434 N 1.42 1.54 -0.07 2.92 0.00 -1.96 0.35 119.26 123.45 1bvz h ALA 434 Ca 0.30 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1bvz h ALA 434 Cb 0.39 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1bvz h ALA 434 CO -0.32 0.30 -0.12 0.87 0.00 0.00 0.00 179.25 179.98 1bvz h LYS 435 N 0.00 0.21 0.15 0.00 1.57 -1.86 -2.84 116.57 113.80 1bvz h LYS 435 Ca -0.00 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1bvz h LYS 435 Cb 0.44 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1bvz h LYS 435 CO 0.03 0.70 -0.25 0.35 -0.57 0.00 0.00 179.45 179.71 1bvz h PHE 436 N -0.26 -0.71 -0.97 -1.35 3.57 -0.82 -2.46 116.94 113.94 1bvz h PHE 436 Ca 0.01 0.01 0.31 0.00 3.53 0.00 0.00 57.97 61.83 1bvz h PHE 436 Cb 0.69 0.29 -0.16 0.00 2.79 0.00 0.00 35.95 39.56 1bvz h PHE 436 CO 0.11 -0.31 0.42 0.00 -2.23 0.00 0.00 178.31 176.30 1bvz h ARG 437 N -0.43 0.19 -0.16 1.11 3.08 -0.51 0.21 114.38 117.88 1bvz h ARG 437 Ca -0.02 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 1bvz h ARG 437 Cb 0.40 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1bvz h ARG 437 CO -0.09 0.13 -0.54 1.25 -1.07 0.00 0.00 179.97 179.65 1bvz h LEU 438 N 0.20 0.51 -0.85 3.04 5.85 -1.35 0.14 115.31 122.85 1bvz h LEU 438 Ca 0.69 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 59.03 1bvz h LEU 438 Cb 1.58 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 1bvz h LEU 438 CO -0.68 0.95 -0.53 0.00 -0.34 0.00 0.00 178.44 177.83 1bvz h ALA 439 N 1.06 1.02 0.02 1.25 0.00 -0.22 -0.76 119.26 121.64 1bvz h ALA 439 Ca 0.01 -0.49 -0.21 0.00 0.00 0.00 0.00 54.91 54.22 1bvz h ALA 439 Cb 1.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1bvz h ALA 439 CO 0.10 0.67 -1.00 -0.39 0.00 0.00 0.00 179.25 178.63 1bvz h VAL 440 N 0.00 1.64 -0.54 0.00 -1.51 -0.24 -2.37 116.25 113.24 1bvz h VAL 440 Ca -0.01 -3.18 -0.08 0.00 -1.23 0.00 0.00 66.70 62.21 1bvz h VAL 440 Cb 1.01 2.77 -0.02 0.00 -2.13 0.00 0.00 31.29 32.91 1bvz h VAL 440 CO 0.07 0.91 0.02 0.25 -1.23 0.00 0.00 177.57 177.59 1bvz h LEU 441 N 0.02 0.86 0.18 4.19 6.46 -0.51 -1.69 115.31 124.83 1bvz h LEU 441 Ca -0.03 -0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.50 1bvz h LEU 441 Cb 1.72 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 41.42 1bvz h LEU 441 CO 0.14 0.92 -0.08 0.15 -0.62 0.00 0.00 178.44 178.94 1bvz h PHE 442 N 0.84 -0.22 -0.06 1.25 3.57 -1.21 -3.30 116.94 117.80 1bvz h PHE 442 Ca 0.16 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1bvz h PHE 442 Cb 0.47 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1bvz h PHE 442 CO 0.03 0.01 0.06 0.37 -2.23 0.00 0.00 178.31 176.55 1bvz h GLN 443 N -0.43 0.00 -0.01 1.11 4.15 -0.77 0.26 115.11 119.42 1bvz h GLN 443 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1bvz h GLN 443 Cb 0.33 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1bvz h GLN 443 CO 0.04 0.00 -0.20 -1.33 -1.93 0.00 0.00 178.83 175.41 1bvz n MET 444 N -4.08 1.18 -0.00 1.69 2.81 -0.77 -4.19 117.12 113.76 1bvz n MET 444 Ca -0.01 -0.76 0.01 0.00 -1.81 0.00 0.00 57.70 55.13 1bvz n MET 444 Cb 0.16 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.16 1bvz n MET 444 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1bvz n THR 445 N -0.25 0.04 -0.91 2.03 -2.24 0.65 -4.61 114.28 108.98 1bvz n THR 445 Ca 0.14 -0.08 -0.10 0.00 -2.27 0.00 0.00 64.05 61.74 1bvz n THR 445 Cb 0.38 0.15 0.08 0.00 -2.10 0.00 0.00 70.33 68.84 1bvz n THR 445 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bvz n TYR 446 N -1.71 -3.55 -3.32 4.78 9.36 0.27 -4.82 117.16 118.16 1bvz n TYR 446 Ca -0.01 -0.36 -0.38 0.00 3.32 0.00 0.00 57.90 60.47 1bvz n TYR 446 Cb 0.19 -0.37 -0.06 0.00 -0.63 0.00 0.00 39.34 38.47 1bvz n TYR 446 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1bvz s LEU 447 N 0.00 4.37 0.00 2.98 2.96 -1.26 -4.91 118.68 122.82 1bvz s LEU 447 Ca 0.24 0.96 0.00 0.00 -0.22 0.00 0.00 54.13 55.11 1bvz s LEU 447 Cb -0.02 -2.74 0.00 0.00 0.50 0.00 0.00 46.19 43.93 1bvz s LEU 447 CO 0.18 0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.93 1bvz n GLY 448 N 2.67 0.60 3.27 7.98 0.00 -1.26 -4.91 105.19 113.53 1bvz n GLY 448 Ca -0.09 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.75 1bvz n GLY 448 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bvz s THR 449 N -1.74 3.02 0.26 2.61 -4.23 0.80 -4.72 115.64 111.64 1bvz s THR 449 Ca 0.00 -0.62 -0.30 0.00 -1.18 0.00 0.00 61.69 59.59 1bvz s THR 449 Cb 0.00 -2.35 -0.11 0.00 1.34 0.00 0.00 72.50 71.38 1bvz s THR 449 CO 0.00 0.46 1.55 -2.84 -0.54 0.00 0.00 174.62 173.25 1bvz s PRO 450 N 1.35 4.18 -0.23 3.99 0.02 -1.26 -0.76 135.00 142.30 1bvz s PRO 450 Ca 0.04 2.46 -0.00 0.00 0.02 0.00 0.00 61.00 63.53 1bvz s PRO 450 Cb -0.14 -3.07 0.06 0.00 0.02 0.00 0.00 34.50 31.37 1bvz s PRO 450 CO -0.05 -0.57 -0.03 -1.17 -0.33 0.00 0.00 177.00 174.85 1bvz s LEU 451 N -0.11 2.28 -0.04 -5.54 2.96 -1.08 -0.93 118.68 116.21 1bvz s LEU 451 Ca 0.64 -1.11 -0.21 0.00 -0.22 0.00 0.00 54.13 53.22 1bvz s LEU 451 Cb -0.46 -1.05 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 1bvz s LEU 451 CO 0.43 -0.25 0.63 -0.63 -1.32 0.00 0.00 176.35 175.20 1bvz s ILE 452 N 1.50 4.99 0.13 6.68 1.01 0.08 -4.32 121.20 131.26 1bvz s ILE 452 Ca -0.04 1.30 -0.16 0.00 0.00 0.00 0.00 60.65 61.74 1bvz s ILE 452 Cb -0.18 -3.97 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 1bvz s ILE 452 CO -0.07 0.34 0.57 -0.47 0.00 0.00 0.00 174.94 175.31 1bvz s TYR 453 N 0.31 3.68 -0.02 3.97 5.04 -1.26 -1.05 117.35 128.02 1bvz s TYR 453 Ca 0.33 1.16 -0.35 0.00 -2.44 0.00 0.00 57.07 55.77 1bvz s TYR 453 Cb -0.18 -2.44 -0.14 0.00 0.35 0.00 0.00 41.96 39.56 1bvz s TYR 453 CO 0.17 0.47 1.70 2.48 -1.34 0.00 0.00 175.55 179.03 1bvz n TYR 454 N 1.10 2.17 0.00 4.97 4.11 -0.98 -2.29 117.16 126.24 1bvz n TYR 454 Ca -0.07 0.24 0.00 0.00 -0.00 0.00 0.00 57.90 58.08 1bvz n TYR 454 Cb 0.51 -2.55 0.00 0.00 -0.00 0.00 0.00 39.34 37.30 1bvz n TYR 454 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1bvz n GLY 455 N 3.83 2.66 0.27 -7.48 0.00 -1.26 -4.93 105.19 98.28 1bvz n GLY 455 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.20 1bvz n GLY 455 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bvz h ASP 456 N 0.00 0.63 -0.65 1.61 5.19 -1.80 -1.81 116.42 119.59 1bvz h ASP 456 Ca 0.00 -0.16 0.19 0.00 -0.62 0.00 0.00 57.03 56.43 1bvz h ASP 456 Cb 0.00 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.32 1bvz h ASP 456 CO 0.00 0.75 0.51 -0.33 -3.12 0.00 0.00 179.24 177.05 1bvz h GLU 457 N 0.60 0.00 -0.08 3.56 3.07 -1.92 -1.69 114.58 118.11 1bvz h GLU 457 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1bvz h GLU 457 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1bvz h GLU 457 CO 0.03 0.00 0.00 0.44 -1.40 0.00 0.00 179.01 178.08 1bvz n ILE 458 N -4.13 1.16 -0.26 3.13 -6.64 -0.90 0.43 119.36 112.14 1bvz n ILE 458 Ca 0.13 -1.19 0.00 0.00 -1.77 0.00 0.00 62.75 59.92 1bvz n ILE 458 Cb 0.76 0.38 0.00 0.00 -1.44 0.00 0.00 39.64 39.34 1bvz n ILE 458 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1bvz n GLY 459 N -0.41 1.09 3.45 3.28 0.00 -0.64 -0.52 105.19 111.43 1bvz n GLY 459 Ca 0.05 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1bvz n GLY 459 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bvz n MET 460 N -1.88 -2.64 -2.20 1.61 2.81 -0.80 -4.93 117.12 109.09 1bvz n MET 460 Ca 0.00 -0.74 -0.04 0.00 -1.81 0.00 0.00 57.70 55.11 1bvz n MET 460 Cb 0.03 -2.14 -0.01 0.00 -0.71 0.00 0.00 33.22 30.39 1bvz n MET 460 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1bvz n ALA 461 N -5.05 -0.02 0.00 3.04 0.00 -1.26 -4.71 120.51 112.51 1bvz n ALA 461 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1bvz n ALA 461 Cb 0.54 0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1bvz n ALA 461 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bvz n GLY 462 N -0.13 4.31 0.77 0.00 0.00 -1.26 -4.71 105.19 104.17 1bvz n GLY 462 Ca 0.01 -0.78 -0.06 0.00 0.00 0.00 0.00 46.02 45.19 1bvz n GLY 462 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bvz n ALA 463 N -0.23 -0.48 -0.56 4.61 0.00 -1.26 -0.49 120.51 122.11 1bvz n ALA 463 Ca 0.00 -0.35 -0.28 0.00 0.00 0.00 0.00 53.44 52.81 1bvz n ALA 463 Cb 0.00 -0.02 0.26 0.00 0.00 0.00 0.00 19.45 19.69 1bvz n ALA 463 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1bvz s THR 464 N -1.53 1.95 0.12 0.00 -1.32 -1.26 -1.51 115.64 112.09 1bvz s THR 464 Ca 0.15 0.00 -0.35 0.00 -1.21 0.00 0.00 61.69 60.28 1bvz s THR 464 Cb -0.01 -2.09 -0.16 0.00 -1.51 0.00 0.00 72.50 68.74 1bvz s THR 464 CO 0.11 0.00 1.41 -0.67 -2.21 0.00 0.00 174.62 173.26 1bvz n ASP 465 N -4.98 2.11 -0.76 8.08 2.03 -1.26 -2.03 116.55 119.73 1bvz n ASP 465 Ca 0.03 1.11 0.08 0.00 0.52 0.00 0.00 54.79 56.53 1bvz n ASP 465 Cb 0.55 -1.27 0.24 0.00 -0.72 0.00 0.00 41.12 39.92 1bvz n ASP 465 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1bvz n PRO 466 N 2.74 1.97 0.05 -0.67 -0.02 -1.26 -4.94 135.00 132.87 1bvz n PRO 466 Ca 0.18 -1.50 0.13 0.00 -2.02 0.00 0.00 63.50 60.29 1bvz n PRO 466 Cb 0.23 -1.37 0.50 0.00 -0.02 0.00 0.00 33.50 32.84 1bvz n PRO 466 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1bvz n ASP 467 N 0.71 0.34 0.20 2.55 2.03 -0.86 -1.48 116.55 120.04 1bvz n ASP 467 Ca 0.15 0.54 0.09 0.00 0.52 0.00 0.00 54.79 56.10 1bvz n ASP 467 Cb 0.38 -0.63 0.27 0.00 -0.72 0.00 0.00 41.12 40.42 1bvz n ASP 467 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bvz n ARG 469 N -3.22 5.06 -4.39 0.00 1.74 -0.55 -4.96 116.66 110.34 1bvz n ARG 469 Ca 0.02 -4.55 -0.35 0.00 -0.77 0.00 0.00 57.85 52.20 1bvz n ARG 469 Cb 0.54 -2.44 -0.10 0.00 -1.02 0.00 0.00 32.46 29.44 1bvz n ARG 469 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1bvz s ARG 470 N -4.27 2.97 0.24 5.56 0.52 -1.26 -4.76 118.95 117.95 1bvz s ARG 470 Ca 0.41 -0.42 -0.31 0.00 -0.52 0.00 0.00 55.73 54.89 1bvz s ARG 470 Cb 0.22 -2.78 -0.14 0.00 0.52 0.00 0.00 34.95 32.77 1bvz s ARG 470 CO -0.16 0.70 1.31 -0.35 0.02 0.00 0.00 175.30 176.82 1bvz n PRO 471 N 2.15 1.80 -0.86 3.54 -0.04 -1.26 -4.91 135.00 135.41 1bvz n PRO 471 Ca -0.19 0.64 -0.31 0.00 -0.04 0.00 0.00 63.50 63.60 1bvz n PRO 471 Cb 0.54 -2.23 0.15 0.00 -0.04 0.00 0.00 33.50 31.91 1bvz n PRO 471 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1bvz s MET 472 N -0.62 1.37 -0.28 0.54 1.75 -1.07 -4.85 119.30 116.14 1bvz s MET 472 Ca 0.67 1.46 -0.02 0.00 -1.25 0.00 0.00 55.69 56.56 1bvz s MET 472 Cb -0.69 -1.77 0.04 0.00 2.84 0.00 0.00 34.83 35.24 1bvz s MET 472 CO 0.52 -2.36 -0.02 0.42 -0.65 0.00 0.00 175.02 172.93 1bvz s ILE 473 N -2.69 3.04 -0.47 10.11 1.01 -1.26 -4.94 121.20 126.01 1bvz s ILE 473 Ca 0.66 -1.16 0.22 0.00 0.00 0.00 0.00 60.65 60.36 1bvz s ILE 473 Cb -0.22 -2.64 -0.25 0.00 0.01 0.00 0.00 42.46 39.36 1bvz s ILE 473 CO 0.57 0.04 0.75 0.79 0.00 0.00 0.00 174.94 177.09 1bvz n TRP 474 N 4.67 0.09 -2.48 3.97 7.02 -1.26 -4.89 117.44 124.56 1bvz n TRP 474 Ca -0.15 0.03 -0.43 0.00 -1.02 0.00 0.00 57.50 55.93 1bvz n TRP 474 Cb 0.45 -0.34 -0.02 0.00 -2.42 0.00 0.00 31.31 28.98 1bvz n TRP 474 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1bvz s GLU 475 N -3.28 3.86 0.22 -0.99 2.02 -1.26 -4.90 118.70 114.36 1bvz s GLU 475 Ca -0.00 1.06 -0.04 0.00 0.02 0.00 0.00 54.97 56.01 1bvz s GLU 475 Cb 0.15 -3.88 0.41 0.00 0.10 0.00 0.00 34.13 30.90 1bvz s GLU 475 CO 0.87 -1.19 1.18 0.39 0.02 0.00 0.00 175.26 176.53 1bvz n GLU 476 N 7.43 -0.07 -0.02 1.61 1.02 -1.26 -0.51 120.64 128.85 1bvz n GLU 476 Ca 0.14 1.17 0.13 0.00 -0.02 0.00 0.00 57.16 58.58 1bvz n GLU 476 Cb 0.47 -1.77 0.49 0.00 -0.02 0.00 0.00 31.44 30.61 1bvz n GLU 476 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1bvz n LYS 477 N -5.19 1.67 -0.11 3.49 5.02 -1.26 -1.71 118.16 120.07 1bvz n LYS 477 Ca 0.14 -0.99 0.04 0.00 -2.02 0.00 0.00 58.31 55.48 1bvz n LYS 477 Cb 0.43 -1.46 0.10 0.00 -0.02 0.00 0.00 35.03 34.08 1bvz n LYS 477 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1bvz n GLU 478 N 0.20 2.34 -4.20 1.97 4.07 0.33 -5.00 120.64 120.34 1bvz n GLU 478 Ca 0.18 -1.74 -0.29 0.00 -0.06 0.00 0.00 57.16 55.25 1bvz n GLU 478 Cb 0.34 -1.20 -0.09 0.00 -0.06 0.00 0.00 31.44 30.43 1bvz n GLU 478 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1bvz s GLN 479 N -0.94 2.26 -1.08 5.31 -0.21 -0.70 -4.97 119.66 119.34 1bvz s GLN 479 Ca 0.17 -1.00 -0.18 0.00 0.02 0.00 0.00 55.36 54.37 1bvz s GLN 479 Cb 0.09 -2.36 0.11 0.00 1.00 0.00 0.00 33.01 31.85 1bvz s GLN 479 CO 0.12 0.51 1.37 1.21 -2.12 0.00 0.00 175.29 176.38 1bvz s ASN 480 N -2.35 6.75 0.18 5.90 3.84 0.32 -4.76 114.94 124.82 1bvz s ASN 480 Ca 0.23 -2.23 0.18 0.00 0.21 0.00 0.00 52.86 51.26 1bvz s ASN 480 Cb -0.11 -2.46 0.83 0.00 -0.55 0.00 0.00 41.25 38.95 1bvz s ASN 480 CO 0.16 -1.09 1.56 0.54 -2.79 0.00 0.00 177.10 175.47 1bvz n ARG 481 N 7.09 0.12 0.05 0.43 5.12 -1.26 -2.11 116.66 126.10 1bvz n ARG 481 Ca 0.33 0.44 -0.11 0.00 -1.93 0.00 0.00 57.85 56.59 1bvz n ARG 481 Cb 0.47 -1.77 0.01 0.00 -1.16 0.00 0.00 32.46 30.02 1bvz n ARG 481 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1bvz h GLY 482 N 1.53 0.45 0.27 -0.13 0.00 -1.91 -2.30 103.07 100.99 1bvz h GLY 482 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 1bvz h GLY 482 CO 0.00 0.59 -0.06 -2.00 0.00 0.00 0.00 176.54 175.07 1bvz h LEU 483 N 0.27 0.05 -0.81 3.11 6.46 -1.64 -3.21 115.31 119.54 1bvz h LEU 483 Ca -0.04 -0.78 0.13 0.00 -0.12 0.00 0.00 57.88 57.07 1bvz h LEU 483 Cb 1.36 -0.02 -0.14 0.00 -0.73 0.00 0.00 40.66 41.14 1bvz h LEU 483 CO 0.13 0.83 -0.36 0.15 -0.62 0.00 0.00 178.44 178.56 1bvz h PHE 484 N -0.71 -1.01 0.00 1.25 3.57 0.52 0.49 116.94 121.03 1bvz h PHE 484 Ca -0.01 0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1bvz h PHE 484 Cb 0.83 0.56 -0.00 0.00 2.79 0.00 0.00 35.95 40.14 1bvz h PHE 484 CO 0.20 -0.39 -0.04 1.49 -2.23 0.00 0.00 178.31 177.33 1bvz h GLU 485 N -0.07 0.00 0.08 1.11 4.57 -1.54 -0.74 114.58 117.99 1bvz h GLU 485 Ca 0.29 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.35 1bvz h GLU 485 Cb 0.58 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1bvz h GLU 485 CO -0.85 0.04 -0.57 0.35 -1.18 0.00 0.00 179.01 176.81 1bvz h PHE 486 N 0.00 0.31 -1.01 0.92 3.57 -0.11 -0.39 116.94 120.24 1bvz h PHE 486 Ca -0.00 -0.22 0.19 0.00 3.53 0.00 0.00 57.97 61.46 1bvz h PHE 486 Cb 0.17 -0.01 -0.11 0.00 2.79 0.00 0.00 35.95 38.79 1bvz h PHE 486 CO 0.00 1.22 0.61 1.88 -2.23 0.00 0.00 178.31 179.79 1bvz h TYR 487 N -0.63 1.08 -0.45 0.41 -1.99 -0.93 -1.51 116.97 112.94 1bvz h TYR 487 Ca -0.11 0.03 -0.10 0.00 2.00 0.00 0.00 58.73 60.55 1bvz h TYR 487 Cb 1.39 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 39.78 1bvz h TYR 487 CO 0.22 0.25 -0.13 0.87 -0.00 0.00 0.00 178.16 179.37 1bvz h LYS 488 N 0.78 0.84 0.21 4.88 1.57 -1.04 0.06 116.57 123.86 1bvz h LYS 488 Ca 0.58 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1bvz h LYS 488 Cb 0.88 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 1bvz h LYS 488 CO -0.38 0.92 -0.37 0.93 -0.57 0.00 0.00 179.45 179.98 1bvz h GLU 489 N 0.75 -0.60 -0.42 3.15 4.39 -0.50 -1.98 114.58 119.38 1bvz h GLU 489 Ca 0.12 0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.93 1bvz h GLU 489 Cb 0.63 0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.36 1bvz h GLU 489 CO 0.04 -0.40 0.08 -0.07 -1.16 0.00 0.00 179.01 177.51 1bvz h LEU 490 N -0.62 0.01 -0.61 1.33 3.38 -1.26 -1.27 115.31 116.28 1bvz h LEU 490 Ca -0.02 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1bvz h LEU 490 Cb 0.58 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1bvz h LEU 490 CO -0.13 0.04 0.38 0.40 0.09 0.00 0.00 178.44 179.22 1bvz h ILE 491 N 0.22 1.08 -0.60 1.22 2.04 -1.00 0.21 117.51 120.68 1bvz h ILE 491 Ca 0.20 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1bvz h ILE 491 Cb 0.25 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 1bvz h ILE 491 CO -0.26 0.14 0.34 0.03 0.00 0.00 0.00 178.15 178.39 1bvz h ARG 492 N 0.75 0.64 -0.53 2.37 3.08 -0.76 0.13 114.38 120.05 1bvz h ARG 492 Ca 0.24 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.14 1bvz h ARG 492 Cb 0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1bvz h ARG 492 CO -0.10 0.42 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.04 1bvz h LEU 493 N 0.66 1.01 -0.49 3.04 3.38 -0.49 -2.09 115.31 120.33 1bvz h LEU 493 Ca 0.26 -0.34 0.09 0.00 0.09 0.00 0.00 57.88 57.98 1bvz h LEU 493 Cb 0.11 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.51 1bvz h LEU 493 CO -0.14 1.12 0.06 -0.09 0.09 0.00 0.00 178.44 179.49 1bvz h ARG 494 N 0.89 0.18 0.00 1.13 9.65 -0.31 -2.20 114.38 123.73 1bvz h ARG 494 Ca 0.14 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1bvz h ARG 494 Cb 0.68 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 1bvz h ARG 494 CO 0.05 0.12 0.00 0.45 2.80 0.00 0.00 179.97 183.39 1bvz h HIS 495 N 0.19 0.00 -0.10 2.20 3.86 -0.53 -3.14 115.15 117.63 1bvz h HIS 495 Ca 0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1bvz h HIS 495 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1bvz h HIS 495 CO -0.26 0.00 0.00 2.89 0.86 0.00 0.00 177.93 181.42 1bvz n ARG 496 N -2.33 2.68 -3.86 2.45 1.85 -0.81 -4.94 116.66 111.70 1bvz n ARG 496 Ca 0.05 -1.59 -0.30 0.00 -1.00 0.00 0.00 57.85 55.01 1bvz n ARG 496 Cb 0.42 -1.08 -0.15 0.00 -1.05 0.00 0.00 32.46 30.60 1bvz n ARG 496 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1bvz s LEU 497 N -0.94 3.33 0.58 2.89 1.43 -0.84 -5.01 118.68 120.12 1bvz s LEU 497 Ca 0.07 -1.85 0.31 0.00 -1.03 0.00 0.00 54.13 51.62 1bvz s LEU 497 Cb 0.04 -1.20 1.81 0.00 0.03 0.00 0.00 46.19 46.87 1bvz s LEU 497 CO 0.05 -0.40 2.22 0.00 0.23 0.00 0.00 176.35 178.45 1bvz h ALA 498 N 7.88 1.40 -0.04 4.21 0.00 -1.88 0.24 119.26 131.06 1bvz h ALA 498 Ca -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1bvz h ALA 498 Cb 1.02 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1bvz h ALA 498 CO 0.49 0.04 -0.04 0.77 0.00 0.00 0.00 179.25 180.50 1bvz h SER 499 N 0.00 0.05 1.31 0.00 0.02 -1.89 0.25 113.55 113.29 1bvz h SER 499 Ca -0.00 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1bvz h SER 499 Cb 0.09 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1bvz h SER 499 CO 0.00 0.11 -0.51 -0.07 -1.14 0.00 0.00 176.83 175.22 1bvz h LEU 500 N 0.06 0.00 0.00 5.07 3.38 -0.82 -0.08 115.31 122.92 1bvz h LEU 500 Ca 0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.69 1bvz h LEU 500 Cb 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1bvz h LEU 500 CO 0.01 0.51 -1.96 0.35 0.09 0.00 0.00 178.44 177.44 1bvz n THR 501 N -3.30 1.50 0.76 0.22 -2.24 -1.17 -4.80 114.28 105.25 1bvz n THR 501 Ca 0.01 -0.19 0.08 0.00 -2.27 0.00 0.00 64.05 61.69 1bvz n THR 501 Cb 0.70 -2.05 -0.01 0.00 -2.10 0.00 0.00 70.33 66.87 1bvz n THR 501 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1bvz n ARG 502 N -4.31 1.61 -2.36 -0.78 1.74 0.87 -4.87 116.66 108.56 1bvz n ARG 502 Ca -0.39 -0.73 -0.26 0.00 -0.77 0.00 0.00 57.85 55.70 1bvz n ARG 502 Cb 0.74 -1.30 0.13 0.00 -1.02 0.00 0.00 32.46 31.02 1bvz n ARG 502 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1bvz s GLY 503 N -2.06 1.76 0.04 -0.13 0.00 -0.04 -4.92 107.32 101.96 1bvz s GLY 503 Ca 0.13 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.32 1bvz s GLY 503 CO 0.46 -0.91 0.05 1.16 0.00 0.00 0.00 173.10 173.87 1bvz n ASN 504 N -3.14 0.10 -3.95 1.64 2.04 -0.86 -4.82 115.26 106.28 1bvz n ASN 504 Ca 0.15 -1.08 -0.21 0.00 -0.44 0.00 0.00 54.58 53.00 1bvz n ASN 504 Cb 0.60 -0.03 -0.16 0.00 -2.53 0.00 0.00 39.78 37.66 1bvz n ASN 504 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1bvz s VAL 505 N 0.46 0.73 -0.05 3.53 1.01 -1.26 -3.37 120.40 121.45 1bvz s VAL 505 Ca 0.04 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.81 1bvz s VAL 505 Cb -0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 1bvz s VAL 505 CO 0.02 0.26 -0.23 -0.13 0.00 0.00 0.00 175.10 175.02 1bvz s ARG 506 N 0.68 2.27 0.38 2.72 1.81 -0.13 -4.97 118.95 121.72 1bvz s ARG 506 Ca -0.11 -0.81 -0.26 0.00 -1.72 0.00 0.00 55.73 52.83 1bvz s ARG 506 Cb -0.13 -1.96 -0.09 0.00 -0.45 0.00 0.00 34.95 32.32 1bvz s ARG 506 CO 0.01 0.35 1.22 -1.12 -0.68 0.00 0.00 175.30 175.09 1bvz s SER 507 N -0.14 6.55 0.00 0.23 0.01 -1.26 -1.19 113.70 117.90 1bvz s SER 507 Ca -0.03 2.48 0.00 0.00 1.31 0.00 0.00 55.95 59.71 1bvz s SER 507 Cb -0.13 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1bvz s SER 507 CO 0.03 -0.67 0.00 1.87 0.41 0.00 0.00 173.24 174.88 1bvz n TRP 508 N 0.27 0.00 -3.65 2.43 -0.00 -0.12 -4.87 117.44 111.50 1bvz n TRP 508 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.43 1bvz n TRP 508 Cb 0.45 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.68 1bvz n TRP 508 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1bvz s HIS 509 N -1.85 -0.89 -0.03 5.87 2.46 -0.83 -4.80 115.29 115.22 1bvz s HIS 509 Ca 0.00 1.91 0.00 0.00 0.47 0.00 0.00 55.06 57.44 1bvz s HIS 509 Cb 0.00 0.46 0.03 0.00 -0.13 0.00 0.00 32.58 32.94 1bvz s HIS 509 CO 0.00 -0.44 0.01 0.00 -2.47 0.00 0.00 174.74 171.83 1bvz s ALA 510 N 1.17 0.29 -0.19 1.58 0.00 -1.26 -0.90 121.76 122.45 1bvz s ALA 510 Ca -0.07 0.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.03 1bvz s ALA 510 Cb -0.05 -0.33 0.07 0.00 0.00 0.00 0.00 23.12 22.80 1bvz s ALA 510 CO -0.12 -0.10 0.08 0.34 0.00 0.00 0.00 175.76 175.96 1bvz s ASP 511 N 1.09 2.63 0.46 0.00 -1.08 -0.95 -4.89 116.67 113.94 1bvz s ASP 511 Ca -0.09 -0.75 0.22 0.00 -0.52 0.00 0.00 52.55 51.41 1bvz s ASP 511 Cb -0.13 -0.34 1.21 0.00 -1.46 0.00 0.00 42.92 42.20 1bvz s ASP 511 CO -0.02 -0.35 1.88 0.50 0.52 0.00 0.00 175.17 177.70 1bvz h LYS 512 N 8.38 0.26 0.00 4.34 3.64 -1.93 0.17 116.57 131.43 1bvz h LYS 512 Ca -0.16 -0.02 -0.42 0.00 -1.27 0.00 0.00 60.65 58.78 1bvz h LYS 512 Cb 1.12 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.82 1bvz h LYS 512 CO 0.32 0.17 -2.38 1.04 -2.27 0.00 0.00 179.45 176.33 1bvz n GLN 513 N -4.44 0.61 0.19 1.90 1.13 -1.26 -4.38 117.38 111.14 1bvz n GLN 513 Ca 0.18 0.27 0.05 0.00 -1.94 0.00 0.00 57.00 55.56 1bvz n GLN 513 Cb 0.74 -1.53 0.38 0.00 0.11 0.00 0.00 30.24 29.93 1bvz n GLN 513 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bvz h ALA 514 N -0.68 1.11 -5.67 -1.58 0.00 -2.00 -3.48 119.26 106.96 1bvz h ALA 514 Ca -0.63 -0.33 -0.34 0.00 0.00 0.00 0.00 54.91 53.61 1bvz h ALA 514 Cb 1.66 -0.06 0.16 0.00 0.00 0.00 0.00 17.79 19.56 1bvz h ALA 514 CO -0.31 0.45 -0.77 -1.71 0.00 0.00 0.00 179.25 176.91 1bvz n ASN 515 N -3.69 -2.02 -4.28 0.00 5.15 0.05 -4.48 115.26 105.98 1bvz n ASN 515 Ca -0.01 -0.63 -0.34 0.00 -0.60 0.00 0.00 54.58 53.00 1bvz n ASN 515 Cb 0.46 -5.07 -0.15 0.00 -0.53 0.00 0.00 39.78 34.49 1bvz n ASN 515 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1bvz s LEU 516 N -6.38 2.66 0.11 1.20 0.20 -1.22 -0.91 118.68 114.32 1bvz s LEU 516 Ca 0.00 -0.44 0.08 0.00 0.69 0.00 0.00 54.13 54.47 1bvz s LEU 516 Cb -0.00 -1.64 -0.04 0.00 -0.43 0.00 0.00 46.19 44.08 1bvz s LEU 516 CO 0.73 0.03 -0.16 -0.47 -0.29 0.00 0.00 176.35 176.19 1bvz s TYR 517 N 1.15 2.59 -0.16 5.38 5.04 -1.12 -2.23 117.35 128.00 1bvz s TYR 517 Ca 0.01 -0.24 -0.11 0.00 -2.44 0.00 0.00 57.07 54.29 1bvz s TYR 517 Cb -0.14 -1.38 0.05 0.00 0.35 0.00 0.00 41.96 40.84 1bvz s TYR 517 CO -0.03 0.38 0.40 0.00 -1.34 0.00 0.00 175.55 174.96 1bvz s ALA 518 N -1.14 -1.02 0.08 3.97 0.00 -0.08 -1.44 121.76 122.14 1bvz s ALA 518 Ca 0.18 1.35 -0.00 0.00 0.00 0.00 0.00 51.96 53.49 1bvz s ALA 518 Cb -0.11 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1bvz s ALA 518 CO 0.10 -0.23 -0.03 -0.59 0.00 0.00 0.00 175.76 175.02 1bvz s PHE 519 N 0.87 0.72 -0.07 0.00 -0.12 -0.43 -0.95 117.98 118.00 1bvz s PHE 519 Ca -0.05 -1.05 0.01 0.00 -0.05 0.00 0.00 56.93 55.79 1bvz s PHE 519 Cb -0.06 -0.46 0.02 0.00 -0.63 0.00 0.00 43.02 41.89 1bvz s PHE 519 CO -0.07 -0.32 -0.06 0.08 -0.05 0.00 0.00 175.22 174.80 1bvz s VAL 520 N -3.84 0.78 -0.09 -2.49 1.01 -0.33 -0.48 120.40 114.96 1bvz s VAL 520 Ca 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 1bvz s VAL 520 Cb 0.07 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1bvz s VAL 520 CO -0.06 0.30 -0.04 -0.13 0.00 0.00 0.00 175.10 175.17 1bvz s ARG 521 N 1.25 2.96 -0.09 2.72 1.81 -0.71 -0.95 118.95 125.94 1bvz s ARG 521 Ca -0.05 -0.49 -0.07 0.00 -1.72 0.00 0.00 55.73 53.41 1bvz s ARG 521 Cb -0.14 -2.71 0.03 0.00 -0.45 0.00 0.00 34.95 31.68 1bvz s ARG 521 CO -0.02 0.63 0.22 0.99 -0.68 0.00 0.00 175.30 176.44 1bvz s THR 522 N -0.70 -0.01 -0.05 0.02 2.01 -1.22 -1.19 115.64 114.50 1bvz s THR 522 Ca 0.11 0.04 -0.31 0.00 0.31 0.00 0.00 61.69 61.84 1bvz s THR 522 Cb -0.11 -0.32 0.11 0.00 0.01 0.00 0.00 72.50 72.19 1bvz s THR 522 CO 0.02 0.02 1.03 0.54 -0.69 0.00 0.00 174.62 175.54 1bvz s VAL 523 N 0.44 0.00 0.11 3.82 0.11 -1.05 -2.02 120.40 121.81 1bvz s VAL 523 Ca -0.03 -0.08 -0.16 0.00 -2.93 0.00 0.00 61.98 58.79 1bvz s VAL 523 Cb -0.04 -1.17 -0.05 0.00 -1.53 0.00 0.00 36.38 33.59 1bvz s VAL 523 CO -0.02 0.00 1.53 1.56 -3.33 0.00 0.00 175.10 174.84 1bvz h GLN 524 N 2.00 0.64 0.00 1.54 7.50 -1.97 0.28 115.11 125.11 1bvz h GLN 524 Ca -0.18 -0.23 0.00 0.00 0.50 0.00 0.00 58.65 58.74 1bvz h GLN 524 Cb 1.21 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.70 1bvz h GLN 524 CO 0.27 0.78 -0.21 -3.47 -1.50 0.00 0.00 178.83 174.70 1bvz n ASP 525 N -4.46 0.34 -4.76 1.46 2.03 -1.26 -5.01 116.55 104.88 1bvz n ASP 525 Ca -0.02 -0.56 -0.41 0.00 0.52 0.00 0.00 54.79 54.32 1bvz n ASP 525 Cb 0.31 1.01 -0.02 0.00 -0.72 0.00 0.00 41.12 41.69 1bvz n ASP 525 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1bvz s GLN 526 N -1.38 4.38 -0.01 -0.67 0.74 1.00 -4.79 119.66 118.93 1bvz s GLN 526 Ca 0.01 2.17 -0.00 0.00 0.05 0.00 0.00 55.36 57.59 1bvz s GLN 526 Cb 0.03 -3.09 0.01 0.00 1.10 0.00 0.00 33.01 31.06 1bvz s GLN 526 CO 0.15 -0.16 0.02 -1.01 -0.55 0.00 0.00 175.29 173.74 1bvz s HIS 527 N -1.00 -0.01 -0.05 1.67 3.76 -1.26 -2.53 115.29 115.88 1bvz s HIS 527 Ca 0.49 0.08 0.02 0.00 -0.15 0.00 0.00 55.06 55.50 1bvz s HIS 527 Cb -0.39 -0.07 0.02 0.00 1.11 0.00 0.00 32.58 33.25 1bvz s HIS 527 CO 0.50 -0.04 -0.07 0.14 -0.85 0.00 0.00 174.74 174.42 1bvz s VAL 528 N 0.37 0.74 -0.22 -0.90 -7.23 -0.33 -0.64 120.40 112.19 1bvz s VAL 528 Ca -0.03 -0.26 0.02 0.00 -1.81 0.00 0.00 61.98 59.90 1bvz s VAL 528 Cb -0.04 -0.72 0.04 0.00 0.56 0.00 0.00 36.38 36.22 1bvz s VAL 528 CO -0.01 0.26 -0.15 -0.83 -0.31 0.00 0.00 175.10 174.07 1bvz s GLY 529 N 0.74 1.53 -0.37 2.32 0.00 0.10 -1.74 107.32 109.90 1bvz s GLY 529 Ca -0.12 -1.47 -0.20 0.00 0.00 0.00 0.00 44.72 42.92 1bvz s GLY 529 CO 0.01 0.44 0.64 0.14 0.00 0.00 0.00 173.10 174.33 1bvz s VAL 530 N 1.22 4.87 -0.16 1.40 1.01 0.37 -0.67 120.40 128.44 1bvz s VAL 530 Ca -0.01 0.49 -0.10 0.00 0.00 0.00 0.00 61.98 62.36 1bvz s VAL 530 Cb -0.16 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1bvz s VAL 530 CO -0.09 -0.37 0.17 -0.69 0.00 0.00 0.00 175.10 174.12 1bvz s VAL 531 N 2.74 5.40 -0.17 2.92 1.01 -0.01 -1.32 120.40 130.98 1bvz s VAL 531 Ca 0.24 0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 1bvz s VAL 531 Cb -0.14 -3.49 0.04 0.00 0.00 0.00 0.00 36.38 32.79 1bvz s VAL 531 CO 0.16 0.49 -0.04 -0.76 0.00 0.00 0.00 175.10 174.95 1bvz s LEU 532 N -0.08 1.55 -1.17 3.92 1.43 -0.52 0.21 118.68 124.03 1bvz s LEU 532 Ca 0.12 -0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 52.40 1bvz s LEU 532 Cb -0.12 -0.86 0.15 0.00 0.03 0.00 0.00 46.19 45.40 1bvz s LEU 532 CO 0.01 -0.20 1.41 0.21 0.23 0.00 0.00 176.35 178.01 1bvz s ASN 533 N 1.67 6.97 -0.05 2.29 2.47 0.07 -2.81 114.94 125.56 1bvz s ASN 533 Ca 0.00 -2.77 -0.02 0.00 0.42 0.00 0.00 52.86 50.49 1bvz s ASN 533 Cb -0.15 -2.42 -0.07 0.00 -1.45 0.00 0.00 41.25 37.16 1bvz s ASN 533 CO -0.07 -0.85 2.59 -3.20 -3.72 0.00 0.00 177.10 171.85 1bvz n ASN 534 N 6.08 5.46 -4.27 -4.21 4.05 -0.09 -2.81 115.26 119.47 1bvz n ASN 534 Ca 0.36 -2.53 -0.15 0.00 0.45 0.00 0.00 54.58 52.71 1bvz n ASN 534 Cb 0.44 -1.23 -0.10 0.00 1.23 0.00 0.00 39.78 40.12 1bvz n ASN 534 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1bvz s ARG 535 N 0.10 1.16 0.00 1.20 0.52 -1.26 -4.90 118.95 115.77 1bvz s ARG 535 Ca 0.28 -1.55 0.00 0.00 -0.52 0.00 0.00 55.73 53.94 1bvz s ARG 535 Cb 0.15 -0.45 0.00 0.00 0.52 0.00 0.00 34.95 35.17 1bvz s ARG 535 CO -0.01 -0.07 0.70 0.41 0.02 0.00 0.00 175.30 176.34 1bvz n GLY 536 N -0.28 0.22 3.01 -3.53 0.00 -1.26 -2.29 105.19 101.06 1bvz n GLY 536 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 1bvz n GLY 536 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bvz s GLU 537 N -1.51 0.40 -0.22 1.61 2.56 -1.26 -4.70 118.70 115.59 1bvz s GLU 537 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 54.97 54.07 1bvz s GLU 537 Cb 0.00 -0.13 0.00 0.00 2.00 0.00 0.00 34.13 36.00 1bvz s GLU 537 CO 0.00 0.01 1.12 0.21 -0.56 0.00 0.00 175.26 176.05 1bvz s LYS 538 N -1.32 4.22 0.00 4.30 2.20 -1.26 -3.95 119.74 123.94 1bvz s LYS 538 Ca -0.11 1.42 0.00 0.00 -0.36 0.00 0.00 55.97 56.92 1bvz s LYS 538 Cb -0.09 -3.70 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1bvz s LYS 538 CO -0.00 -0.70 0.00 1.04 -0.36 0.00 0.00 175.35 175.33 1bvz n GLN 539 N 6.50 1.62 -3.73 4.03 6.02 -0.77 -4.95 117.38 126.10 1bvz n GLN 539 Ca 0.13 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.99 1bvz n GLN 539 Cb 0.46 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.61 1bvz n GLN 539 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1bvz s THR 540 N -1.14 -0.00 -0.05 5.09 -1.32 -1.26 -1.44 115.64 115.51 1bvz s THR 540 Ca 0.00 0.02 0.01 0.00 -1.21 0.00 0.00 61.69 60.51 1bvz s THR 540 Cb 0.00 -0.56 0.02 0.00 -1.51 0.00 0.00 72.50 70.45 1bvz s THR 540 CO 0.00 0.01 -0.04 0.68 -2.21 0.00 0.00 174.62 173.05 1bvz s VAL 541 N 0.40 0.53 -0.16 5.08 -7.23 0.56 -4.95 120.40 114.63 1bvz s VAL 541 Ca -0.02 -0.11 -0.29 0.00 -1.81 0.00 0.00 61.98 59.75 1bvz s VAL 541 Cb -0.04 -0.57 -0.00 0.00 0.56 0.00 0.00 36.38 36.33 1bvz s VAL 541 CO -0.02 0.23 0.99 -0.76 -0.31 0.00 0.00 175.10 175.23 1bvz s LEU 542 N 0.97 4.18 -0.04 1.32 1.43 -1.24 -1.93 118.68 123.37 1bvz s LEU 542 Ca -0.10 1.42 0.06 0.00 -1.03 0.00 0.00 54.13 54.47 1bvz s LEU 542 Cb -0.14 -3.50 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 1bvz s LEU 542 CO -0.00 -0.52 -0.22 -0.76 0.23 0.00 0.00 176.35 175.09 1bvz s LEU 543 N 2.45 2.01 0.09 1.79 1.43 -0.44 -4.96 118.68 121.05 1bvz s LEU 543 Ca 0.45 -0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 52.91 1bvz s LEU 543 Cb -0.17 -1.18 -0.07 0.00 0.03 0.00 0.00 46.19 44.81 1bvz s LEU 543 CO 0.13 0.22 0.63 -1.10 0.23 0.00 0.00 176.35 176.47 1bvz s GLN 544 N -0.20 4.32 0.38 1.70 1.11 -1.26 -0.88 119.66 124.84 1bvz s GLN 544 Ca -0.00 0.86 -0.27 0.00 0.01 0.00 0.00 55.36 55.96 1bvz s GLN 544 Cb -0.12 -3.26 -0.11 0.00 -1.01 0.00 0.00 33.01 28.52 1bvz s GLN 544 CO 0.02 0.58 1.42 1.33 0.01 0.00 0.00 175.29 178.65 1bvz n VAL 545 N 1.82 2.13 -1.13 1.09 0.24 -0.42 -4.92 118.33 117.14 1bvz n VAL 545 Ca -0.08 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.34 61.43 1bvz n VAL 545 Cb 0.50 -1.83 0.19 0.00 -1.47 0.00 0.00 33.84 31.23 1bvz n VAL 545 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1bvz s PRO 546 N -2.10 0.23 0.05 7.34 0.04 -1.26 -4.97 135.00 134.33 1bvz s PRO 546 Ca 0.55 0.49 -0.26 0.00 0.04 0.00 0.00 61.00 61.83 1bvz s PRO 546 Cb -0.50 -1.72 -0.17 0.00 0.04 0.00 0.00 34.50 32.16 1bvz s PRO 546 CO 0.62 -2.86 1.54 1.05 0.04 0.00 0.00 177.00 177.39 1bvz h GLU 547 N -1.99 -0.27 0.00 4.56 9.09 -2.01 -3.27 114.58 120.70 1bvz h GLU 547 Ca -0.56 0.02 -0.13 0.00 0.05 0.00 0.00 59.36 58.75 1bvz h GLU 547 Cb 1.34 0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 28.48 1bvz h GLU 547 CO 0.57 -0.07 -0.61 0.77 0.05 0.00 0.00 179.01 179.73 1bvz h SER 548 N -0.42 0.00 -0.02 3.06 0.02 -1.97 -3.48 113.55 110.73 1bvz h SER 548 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1bvz h SER 548 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1bvz h SER 548 CO 0.05 0.61 0.00 0.61 -1.14 0.00 0.00 176.83 176.95 1bvz n GLY 549 N 1.05 3.98 0.00 -3.77 0.00 -1.23 -5.14 105.19 100.08 1bvz n GLY 549 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1bvz n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bvz n GLY 550 N -1.05 1.40 0.07 -0.02 0.00 -1.26 -4.86 105.19 99.47 1bvz n GLY 550 Ca 0.00 0.43 -0.07 0.00 0.00 0.00 0.00 46.02 46.38 1bvz n GLY 550 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bvz n LYS 551 N 0.00 1.69 -3.96 1.61 3.00 -1.26 -4.93 118.16 114.31 1bvz n LYS 551 Ca 0.00 0.01 -0.16 0.00 -0.00 0.00 0.00 58.31 58.16 1bvz n LYS 551 Cb 0.00 -1.32 -0.15 0.00 0.00 0.00 0.00 35.03 33.55 1bvz n LYS 551 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1bvz s THR 552 N -2.31 0.18 -0.01 3.15 2.01 -1.26 -3.86 115.64 113.54 1bvz s THR 552 Ca -0.09 0.01 0.03 0.00 0.31 0.00 0.00 61.69 61.95 1bvz s THR 552 Cb 0.04 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.32 1bvz s THR 552 CO 0.49 0.11 -0.08 0.26 -0.69 0.00 0.00 174.62 174.70 1bvz s TRP 553 N 0.57 0.74 -0.17 4.92 0.52 -1.23 -4.77 118.94 119.51 1bvz s TRP 553 Ca -0.05 -0.14 -0.06 0.00 0.02 0.00 0.00 56.10 55.86 1bvz s TRP 553 Cb -0.08 -0.48 -0.04 0.00 -1.15 0.00 0.00 33.47 31.72 1bvz s TRP 553 CO -0.01 -0.02 0.05 -1.17 0.02 0.00 0.00 176.95 175.82 1bvz s LEU 554 N -0.17 3.76 -0.26 2.99 2.96 0.07 -1.85 118.68 126.17 1bvz s LEU 554 Ca 0.03 0.08 -0.29 0.00 -0.22 0.00 0.00 54.13 53.73 1bvz s LEU 554 Cb -0.03 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 1bvz s LEU 554 CO -0.00 0.20 1.66 -0.62 -1.32 0.00 0.00 176.35 176.27 1bvz s ASP 555 N 0.19 6.23 0.51 3.68 -1.08 -1.23 -1.85 116.67 123.12 1bvz s ASP 555 Ca 0.04 1.48 0.29 0.00 -0.52 0.00 0.00 52.55 53.84 1bvz s ASP 555 Cb -0.12 -2.53 1.28 0.00 -1.46 0.00 0.00 42.92 40.08 1bvz s ASP 555 CO 0.01 -1.41 1.97 0.00 0.52 0.00 0.00 175.17 176.26 1bvz h LEU 557 N 0.00 -0.12 0.00 0.00 3.38 -1.89 -3.46 115.31 113.22 1bvz h LEU 557 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1bvz h LEU 557 Cb 0.54 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1bvz h LEU 557 CO 0.01 0.04 -1.50 1.07 0.09 0.00 0.00 178.44 178.16 1bvz n THR 558 N -3.08 1.53 0.00 0.22 5.66 -1.23 -5.14 114.28 112.25 1bvz n THR 558 Ca -0.02 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1bvz n THR 558 Cb 0.06 -2.01 0.00 0.00 -1.55 0.00 0.00 70.33 66.82 1bvz n THR 558 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bvz n GLY 559 N 1.40 3.56 3.70 1.09 0.00 0.41 -4.94 105.19 110.41 1bvz n GLY 559 Ca -0.36 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 1bvz n GLY 559 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bvz s GLU 560 N -2.31 4.18 -0.91 1.61 2.12 -1.26 -3.52 118.70 118.60 1bvz s GLU 560 Ca 0.00 2.42 -0.00 0.00 0.36 0.00 0.00 54.97 57.75 1bvz s GLU 560 Cb 0.00 -3.50 0.33 0.00 0.26 0.00 0.00 34.13 31.22 1bvz s GLU 560 CO 0.00 -0.74 1.73 0.39 -0.54 0.00 0.00 175.26 176.09 1bvz n GLU 561 N 5.28 4.57 0.00 4.30 -0.58 -0.77 -4.84 120.64 128.60 1bvz n GLU 561 Ca 0.16 -4.47 0.00 0.00 -0.42 0.00 0.00 57.16 52.43 1bvz n GLU 561 Cb 0.39 -2.39 0.00 0.00 -0.57 0.00 0.00 31.44 28.87 1bvz n GLU 561 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1bvz n VAL 562 N -0.19 0.00 -1.53 2.62 3.14 -1.26 -3.58 118.33 117.53 1bvz n VAL 562 Ca 0.46 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.50 1bvz n VAL 562 Cb 0.29 -0.16 0.06 0.00 -1.06 0.00 0.00 33.84 32.97 1bvz n VAL 562 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1bvz n HIS 563 N 0.65 3.14 -2.98 1.45 8.25 -1.26 -4.85 115.22 119.62 1bvz n HIS 563 Ca 0.00 -2.83 -0.44 0.00 -0.26 0.00 0.00 57.72 54.19 1bvz n HIS 563 Cb 0.00 -1.22 -0.04 0.00 1.12 0.00 0.00 29.99 29.86 1bvz n HIS 563 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1bvz s GLY 564 N -2.06 1.72 -0.10 -1.41 0.00 -1.25 -3.78 107.32 100.43 1bvz s GLY 564 Ca 0.61 -2.30 0.00 0.00 0.00 0.00 0.00 44.72 43.04 1bvz s GLY 564 CO -0.05 1.85 -0.10 1.25 0.00 0.00 0.00 173.10 176.05 1bvz s LYS 565 N 3.05 1.65 -1.39 2.90 2.20 -0.16 -4.80 119.74 123.19 1bvz s LYS 565 Ca 0.21 -0.33 -0.09 0.00 -0.36 0.00 0.00 55.97 55.40 1bvz s LYS 565 Cb -0.16 -1.58 0.03 0.00 -1.51 0.00 0.00 37.83 34.62 1bvz s LYS 565 CO 0.03 -0.17 1.08 1.04 -0.36 0.00 0.00 175.35 176.97 1bvz n GLN 566 N 4.57 -6.97 -0.92 4.03 6.02 -1.26 -2.86 117.38 119.98 1bvz n GLN 566 Ca -0.16 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 1bvz n GLN 566 Cb 0.51 -5.73 0.00 0.00 1.02 0.00 0.00 30.24 26.03 1bvz n GLN 566 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bvz n GLY 567 N -1.81 0.60 3.09 1.08 0.00 -1.26 -4.99 105.19 101.90 1bvz n GLY 567 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 1bvz n GLY 567 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bvz s GLN 568 N -0.08 0.68 -0.06 1.61 -0.21 -1.14 -1.30 119.66 119.16 1bvz s GLN 568 Ca 0.00 -0.71 0.04 0.00 0.02 0.00 0.00 55.36 54.71 1bvz s GLN 568 Cb 0.00 -0.59 -0.02 0.00 1.00 0.00 0.00 33.01 33.40 1bvz s GLN 568 CO 0.00 0.13 -0.19 -1.17 -2.12 0.00 0.00 175.29 171.94 1bvz s LEU 569 N -1.28 2.43 -0.18 2.90 2.96 -0.05 -0.99 118.68 124.47 1bvz s LEU 569 Ca -0.04 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1bvz s LEU 569 Cb -0.08 -1.48 0.03 0.00 0.50 0.00 0.00 46.19 45.15 1bvz s LEU 569 CO 0.01 0.27 -0.17 -0.75 -1.32 0.00 0.00 176.35 174.39 1bvz s LYS 570 N -0.31 2.67 0.12 1.98 2.20 -1.24 -1.32 119.74 123.83 1bvz s LYS 570 Ca 0.02 -0.80 0.08 0.00 -0.36 0.00 0.00 55.97 54.91 1bvz s LYS 570 Cb -0.13 -2.45 -0.04 0.00 -1.51 0.00 0.00 37.83 33.70 1bvz s LYS 570 CO 0.02 -0.26 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.04 1bvz s LEU 571 N 1.34 2.35 -0.20 5.43 1.43 -0.81 -4.94 118.68 123.27 1bvz s LEU 571 Ca 0.03 -0.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.40 1bvz s LEU 571 Cb -0.14 -0.87 0.04 0.00 0.03 0.00 0.00 46.19 45.25 1bvz s LEU 571 CO -0.11 0.03 -0.14 -0.89 0.23 0.00 0.00 176.35 175.47 1bvz s THR 572 N -1.46 1.90 -0.19 5.49 2.01 -1.26 -0.32 115.64 121.81 1bvz s THR 572 Ca 0.10 -1.12 -0.10 0.00 0.31 0.00 0.00 61.69 60.88 1bvz s THR 572 Cb -0.09 -1.88 -0.05 0.00 0.01 0.00 0.00 72.50 70.49 1bvz s THR 572 CO 0.05 0.26 0.15 -0.76 -0.69 0.00 0.00 174.62 173.63 1bvz s LEU 573 N 1.30 4.23 0.93 4.42 2.01 -0.52 -4.94 118.68 126.10 1bvz s LEU 573 Ca -0.01 0.28 -0.14 0.00 0.01 0.00 0.00 54.13 54.28 1bvz s LEU 573 Cb -0.16 -2.12 0.15 0.00 0.01 0.00 0.00 46.19 44.08 1bvz s LEU 573 CO -0.09 0.20 1.20 0.00 1.01 0.00 0.00 176.35 178.67 1bvz s ARG 574 N 0.22 0.99 0.07 1.70 1.70 -1.26 -1.85 118.95 120.52 1bvz s ARG 574 Ca 0.10 -0.01 -0.35 0.00 -0.47 0.00 0.00 55.73 55.00 1bvz s ARG 574 Cb -0.11 -1.85 -0.14 0.00 -0.57 0.00 0.00 34.95 32.28 1bvz s ARG 574 CO -0.01 -2.24 1.62 -2.30 -1.08 0.00 0.00 175.30 171.29 1bvz n PRO 575 N -3.74 1.97 -2.38 3.89 -0.02 -1.25 -1.80 135.00 131.67 1bvz n PRO 575 Ca 0.10 0.71 -0.17 0.00 -2.02 0.00 0.00 63.50 62.12 1bvz n PRO 575 Cb 0.60 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 1bvz n PRO 575 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1bvz n TYR 576 N 4.10 -1.14 -3.29 6.00 4.01 -0.97 -4.95 117.16 120.93 1bvz n TYR 576 Ca 0.19 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.55 1bvz n TYR 576 Cb 0.27 -3.44 -0.06 0.00 -0.31 0.00 0.00 39.34 35.80 1bvz n TYR 576 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1bvz s GLN 577 N -4.97 4.31 0.49 -0.72 0.74 -0.74 -4.74 119.66 114.02 1bvz s GLN 577 Ca 0.00 0.45 -0.03 0.00 0.05 0.00 0.00 55.36 55.83 1bvz s GLN 577 Cb 0.00 -3.47 -0.01 0.00 1.10 0.00 0.00 33.01 30.63 1bvz s GLN 577 CO 0.00 0.08 0.75 0.20 -0.55 0.00 0.00 175.29 175.77 1bvz s GLY 578 N 0.76 1.55 -0.00 2.59 0.00 -1.26 -0.75 107.32 110.20 1bvz s GLY 578 Ca 0.26 -0.83 -0.03 0.00 0.00 0.00 0.00 44.72 44.12 1bvz s GLY 578 CO 0.10 -0.64 0.05 1.06 0.00 0.00 0.00 173.10 173.68 1bvz s MET 579 N -4.70 0.26 -0.36 2.90 1.00 0.13 -4.96 119.30 113.57 1bvz s MET 579 Ca 0.49 -0.27 0.03 0.00 0.00 0.00 0.00 55.69 55.94 1bvz s MET 579 Cb -0.10 0.10 0.10 0.00 0.00 0.00 0.00 34.83 34.94 1bvz s MET 579 CO 0.41 -0.05 0.09 0.42 0.00 0.00 0.00 175.02 175.89 1bvz s ILE 580 N -0.82 1.98 -0.57 2.53 1.01 -1.26 -0.83 121.20 123.24 1bvz s ILE 580 Ca -0.09 -2.27 -0.18 0.00 0.00 0.00 0.00 60.65 58.11 1bvz s ILE 580 Cb -0.05 -2.46 0.11 0.00 0.01 0.00 0.00 42.46 40.07 1bvz s ILE 580 CO 0.00 -0.65 0.62 -0.76 0.00 0.00 0.00 174.94 174.15 1bvz s LEU 581 N 0.89 5.72 0.54 2.97 2.01 0.16 -1.09 118.68 129.88 1bvz s LEU 581 Ca 0.12 -1.58 -0.16 0.00 0.01 0.00 0.00 54.13 52.52 1bvz s LEU 581 Cb -0.20 -2.26 -0.07 0.00 0.01 0.00 0.00 46.19 43.67 1bvz s LEU 581 CO -0.10 -1.01 1.01 0.86 1.01 0.00 0.00 176.35 178.11 1bvz s TRP 582 N 2.25 3.37 -0.09 0.29 -0.00 -0.77 0.01 118.94 123.99 1bvz s TRP 582 Ca 0.08 1.46 0.21 0.00 -0.00 0.00 0.00 56.10 57.85 1bvz s TRP 582 Cb -0.27 -2.83 -0.30 0.00 -0.00 0.00 0.00 33.47 30.07 1bvz s TRP 582 CO 0.05 -0.56 0.38 0.27 -0.00 0.00 0.00 176.95 177.09 1bvz n ASN 583 N -1.79 0.04 0.00 5.86 6.94 0.19 -0.75 115.26 125.75 1bvz n ASN 583 Ca 0.07 0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 1bvz n ASN 583 Cb 0.54 1.63 0.00 0.00 -2.36 0.00 0.00 39.78 39.59 1bvz n ASN 583 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bvz n GLY 584 N 1.40 0.81 0.93 4.83 0.00 -1.26 -4.78 105.19 107.12 1bvz n GLY 584 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1bvz n GLY 584 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86