#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vlr s VAL 39 N 0.00 4.57 0.16 -1.45 1.01 -1.26 -5.02 120.40 118.41 1vlr s VAL 39 Ca 0.00 1.85 0.07 0.00 0.00 0.00 0.00 61.98 63.91 1vlr s VAL 39 Cb 0.00 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1vlr s VAL 39 CO 0.00 0.06 -0.16 -0.13 0.00 0.00 0.00 175.10 174.87 1vlr s ARG 40 N 1.69 1.21 0.62 2.72 1.81 -1.26 -5.13 118.95 120.61 1vlr s ARG 40 Ca 0.53 -1.41 -0.18 0.00 -1.72 0.00 0.00 55.73 52.95 1vlr s ARG 40 Cb -0.22 -1.14 -0.02 0.00 -0.45 0.00 0.00 34.95 33.12 1vlr s ARG 40 CO 0.23 0.21 1.20 -0.51 -0.68 0.00 0.00 175.30 175.75 1vlr s LEU 41 N -2.80 3.59 0.00 2.53 1.43 -1.26 -4.92 118.68 117.25 1vlr s LEU 41 Ca 0.16 2.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 1vlr s LEU 41 Cb -0.04 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.59 1vlr s LEU 41 CO 0.05 -1.70 0.74 -0.81 0.23 0.00 0.00 176.35 174.86 1vlr n PRO 42 N -1.84 0.82 -3.85 1.29 -0.04 -1.26 -4.81 135.00 125.31 1vlr n PRO 42 Ca 0.13 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 1vlr n PRO 42 Cb 0.50 -1.16 -0.01 0.00 -0.04 0.00 0.00 33.50 32.79 1vlr n PRO 42 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1vlr s PHE 43 N -0.07 -0.12 -0.20 0.54 -0.12 -1.26 -5.06 117.98 111.69 1vlr s PHE 43 Ca 0.00 -0.40 -0.06 0.00 -0.05 0.00 0.00 56.93 56.43 1vlr s PHE 43 Cb 0.00 0.74 -0.03 0.00 -0.63 0.00 0.00 43.02 43.10 1vlr s PHE 43 CO 0.00 -1.32 0.01 -1.12 -0.05 0.00 0.00 175.22 172.75 1vlr s SER 44 N -2.96 4.97 0.06 1.98 0.01 -1.26 -4.94 113.70 111.57 1vlr s SER 44 Ca 0.12 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1vlr s SER 44 Cb -0.06 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 64.32 1vlr s SER 44 CO 0.08 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1vlr n GLY 45 N 4.19 -1.61 3.31 3.44 0.00 -1.26 -1.15 105.19 112.10 1vlr n GLY 45 Ca -0.17 -1.46 0.03 0.00 0.00 0.00 0.00 46.02 44.42 1vlr n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vlr s PHE 46 N -1.55 -0.85 -0.12 1.61 5.36 -1.26 -4.62 117.98 116.55 1vlr s PHE 46 Ca 0.00 1.20 0.03 0.00 -0.96 0.00 0.00 56.93 57.20 1vlr s PHE 46 Cb 0.00 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 43.09 1vlr s PHE 46 CO 0.00 -0.44 -0.22 0.50 -1.46 0.00 0.00 175.22 173.60 1vlr s ARG 47 N 2.70 3.07 -0.14 10.12 3.52 -0.64 -4.96 118.95 132.63 1vlr s ARG 47 Ca 0.02 -0.85 -0.29 0.00 -0.13 0.00 0.00 55.73 54.47 1vlr s ARG 47 Cb -0.09 -2.40 -0.02 0.00 -1.56 0.00 0.00 34.95 30.88 1vlr s ARG 47 CO -0.16 0.10 1.33 0.08 -0.81 0.00 0.00 175.30 175.83 1vlr s VAL 48 N 0.55 4.15 -0.12 7.11 1.01 -1.26 0.15 120.40 131.98 1vlr s VAL 48 Ca -0.13 1.40 -0.19 0.00 0.00 0.00 0.00 61.98 63.06 1vlr s VAL 48 Cb -0.17 -3.90 -0.26 0.00 0.00 0.00 0.00 36.38 32.05 1vlr s VAL 48 CO 0.04 -0.12 0.54 -0.61 0.00 0.00 0.00 175.10 174.96 1vlr h GLN 49 N 8.38 0.17 -2.47 2.72 5.75 -0.46 -3.47 115.11 125.73 1vlr h GLN 49 Ca -0.29 -0.29 -0.09 0.00 -0.15 0.00 0.00 58.65 57.83 1vlr h GLN 49 Cb 1.12 0.11 -0.23 0.00 1.07 0.00 0.00 27.48 29.55 1vlr h GLN 49 CO 0.96 1.14 -0.10 0.21 -2.65 0.00 0.00 178.83 178.39 1vlr s LYS 50 N -2.42 0.63 -0.41 1.69 2.20 -0.88 -5.02 119.74 115.52 1vlr s LYS 50 Ca -0.21 0.68 -0.29 0.00 -0.36 0.00 0.00 55.97 55.80 1vlr s LYS 50 Cb 0.03 0.31 0.02 0.00 -1.51 0.00 0.00 37.83 36.68 1vlr s LYS 50 CO 0.73 -0.08 1.10 0.08 -0.36 0.00 0.00 175.35 176.81 1vlr s VAL 51 N 0.18 4.35 0.05 4.02 1.01 -1.26 -0.18 120.40 128.57 1vlr s VAL 51 Ca -0.01 1.41 -0.17 0.00 0.00 0.00 0.00 61.98 63.21 1vlr s VAL 51 Cb -0.04 -4.52 -0.16 0.00 0.00 0.00 0.00 36.38 31.67 1vlr s VAL 51 CO 0.01 -0.78 1.27 -0.07 0.00 0.00 0.00 175.10 175.53 1vlr h LEU 52 N 10.71 0.64 -7.07 3.92 3.38 -1.14 -3.47 115.31 122.29 1vlr h LEU 52 Ca -0.22 -0.61 -0.06 0.00 0.09 0.00 0.00 57.88 57.08 1vlr h LEU 52 Cb 1.06 -0.19 -0.21 0.00 0.09 0.00 0.00 40.66 41.42 1vlr h LEU 52 CO 1.08 1.14 0.09 -0.60 0.09 0.00 0.00 178.44 180.24 1vlr s ARG 53 N -3.82 0.87 0.05 1.13 3.52 -1.18 -0.70 118.95 118.82 1vlr s ARG 53 Ca -0.13 0.62 -0.17 0.00 -0.13 0.00 0.00 55.73 55.92 1vlr s ARG 53 Cb 0.06 0.42 0.03 0.00 -1.56 0.00 0.00 34.95 33.90 1vlr s ARG 53 CO 0.83 -0.18 0.40 -1.83 -0.81 0.00 0.00 175.30 173.70 1vlr s GLU 54 N -0.29 0.92 -0.21 5.12 -1.05 -1.26 -0.50 118.70 121.43 1vlr s GLU 54 Ca -0.05 -0.42 -0.04 0.00 -0.15 0.00 0.00 54.97 54.31 1vlr s GLU 54 Cb -0.03 0.41 0.09 0.00 -0.44 0.00 0.00 34.13 34.16 1vlr s GLU 54 CO 0.04 -0.32 0.17 0.45 0.95 0.00 0.00 175.26 176.55 1vlr s SER 55 N -2.10 2.09 0.42 0.83 0.15 -0.58 -4.98 113.70 109.52 1vlr s SER 55 Ca -0.04 -0.58 0.10 0.00 0.70 0.00 0.00 55.95 56.13 1vlr s SER 55 Cb -0.00 0.05 0.93 0.00 -1.71 0.00 0.00 66.02 65.29 1vlr s SER 55 CO -0.04 -0.36 2.00 0.00 1.20 0.00 0.00 173.24 176.05 1vlr h ALA 56 N 8.36 1.87 -0.23 5.45 0.00 -1.97 -0.95 119.26 131.79 1vlr h ALA 56 Ca -0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1vlr h ALA 56 Cb 1.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1vlr h ALA 56 CO 0.31 0.04 0.02 -0.09 0.00 0.00 0.00 179.25 179.54 1vlr h ARG 57 N 0.51 0.38 -0.01 0.00 2.43 -1.95 -3.21 114.38 112.53 1vlr h ARG 57 Ca 0.24 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1vlr h ARG 57 Cb 0.30 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1vlr h ARG 57 CO -0.07 0.54 -0.41 -0.25 -1.51 0.00 0.00 179.97 178.27 1vlr n ASP 58 N -4.69 1.26 -3.27 -3.80 9.92 -1.20 -4.97 116.55 109.79 1vlr n ASP 58 Ca -0.04 -1.01 -0.16 0.00 -0.53 0.00 0.00 54.79 53.05 1vlr n ASP 58 Cb 0.21 0.32 0.08 0.00 -0.64 0.00 0.00 41.12 41.09 1vlr n ASP 58 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1vlr n LYS 59 N -0.63 -5.12 -3.94 -1.24 4.76 -0.41 -4.74 118.16 106.84 1vlr n LYS 59 Ca 0.10 0.82 -0.10 0.00 -2.87 0.00 0.00 58.31 56.25 1vlr n LYS 59 Cb 0.38 -5.69 -0.12 0.00 -1.84 0.00 0.00 35.03 27.76 1vlr n LYS 59 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1vlr s ILE 60 N -3.35 0.08 -0.08 -0.18 2.07 -0.91 -1.72 121.20 117.11 1vlr s ILE 60 Ca 0.13 -0.65 -0.07 0.00 -1.41 0.00 0.00 60.65 58.65 1vlr s ILE 60 Cb -0.02 -0.22 0.02 0.00 0.13 0.00 0.00 42.46 42.37 1vlr s ILE 60 CO 0.70 -0.36 0.20 -0.51 -1.91 0.00 0.00 174.94 173.07 1vlr s ILE 61 N -1.06 -0.00 -0.21 2.00 2.07 -0.32 -1.52 121.20 122.14 1vlr s ILE 61 Ca -0.12 0.02 -0.03 0.00 -1.41 0.00 0.00 60.65 59.11 1vlr s ILE 61 Cb -0.07 -0.29 -0.00 0.00 0.13 0.00 0.00 42.46 42.22 1vlr s ILE 61 CO -0.00 0.01 -0.08 -0.36 -1.91 0.00 0.00 174.94 172.60 1vlr s PHE 62 N 0.23 2.92 -0.08 3.50 0.40 0.34 -0.82 117.98 124.47 1vlr s PHE 62 Ca -0.01 -1.12 0.02 0.00 -0.60 0.00 0.00 56.93 55.22 1vlr s PHE 62 Cb -0.02 -2.06 -0.02 0.00 0.51 0.00 0.00 43.02 41.42 1vlr s PHE 62 CO -0.01 -0.61 -0.13 -0.51 0.70 0.00 0.00 175.22 174.66 1vlr s LEU 63 N 1.43 2.79 -0.40 -0.37 1.43 0.87 -0.54 118.68 123.89 1vlr s LEU 63 Ca 0.05 -0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 52.76 1vlr s LEU 63 Cb -0.14 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1vlr s LEU 63 CO -0.05 0.28 0.47 -2.28 0.23 0.00 0.00 176.35 174.99 1vlr s HIS 64 N -0.31 3.16 0.22 0.29 5.65 0.75 -1.37 115.29 123.68 1vlr s HIS 64 Ca 0.03 -0.20 0.08 0.00 0.25 0.00 0.00 55.06 55.21 1vlr s HIS 64 Cb -0.13 -2.94 -0.04 0.00 -1.18 0.00 0.00 32.58 28.29 1vlr s HIS 64 CO 0.03 -0.67 0.05 0.20 -0.65 0.00 0.00 174.74 173.69 1vlr s GLY 65 N 1.83 1.64 -0.16 1.59 0.00 0.53 0.30 107.32 113.05 1vlr s GLY 65 Ca 0.15 -1.45 -0.08 0.00 0.00 0.00 0.00 44.72 43.34 1vlr s GLY 65 CO 0.14 -1.49 0.11 0.54 0.00 0.00 0.00 173.10 172.41 1vlr s LYS 66 N -3.36 3.78 0.13 2.90 -0.14 0.12 -1.36 119.74 121.82 1vlr s LYS 66 Ca 0.30 -0.23 0.03 0.00 -1.36 0.00 0.00 55.97 54.72 1vlr s LYS 66 Cb -0.08 -3.25 -0.04 0.00 -1.68 0.00 0.00 37.83 32.78 1vlr s LYS 66 CO 0.21 0.50 -0.08 0.14 -0.76 0.00 0.00 175.35 175.36 1vlr s VAL 67 N -0.25 0.99 -1.42 3.17 -7.23 0.68 -1.62 120.40 114.72 1vlr s VAL 67 Ca 0.10 -2.02 -0.10 0.00 -1.81 0.00 0.00 61.98 58.15 1vlr s VAL 67 Cb -0.12 -1.82 0.04 0.00 0.56 0.00 0.00 36.38 35.04 1vlr s VAL 67 CO 0.01 -0.77 1.09 0.59 -0.31 0.00 0.00 175.10 175.72 1vlr n ASN 68 N -0.15 -5.88 -4.61 4.85 3.02 -0.30 0.66 115.26 112.84 1vlr n ASN 68 Ca -0.11 -0.60 -0.42 0.00 -0.03 0.00 0.00 54.58 53.42 1vlr n ASN 68 Cb 0.61 -4.64 -0.05 0.00 -0.61 0.00 0.00 39.78 35.08 1vlr n ASN 68 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1vlr s GLU 69 N -6.39 3.97 0.13 3.52 2.02 -1.26 -4.47 118.70 116.21 1vlr s GLU 69 Ca 0.60 0.57 -0.26 0.00 0.02 0.00 0.00 54.97 55.90 1vlr s GLU 69 Cb -0.28 -3.72 0.08 0.00 0.10 0.00 0.00 34.13 30.30 1vlr s GLU 69 CO 0.74 -0.66 1.03 0.20 0.02 0.00 0.00 175.26 176.60 1vlr s GLY 76 N 1.61 -0.23 0.21 -1.39 0.00 -1.26 -5.22 107.32 101.03 1vlr s GLY 76 Ca 0.32 0.18 0.05 0.00 0.00 0.00 0.00 44.72 45.26 1vlr s GLY 76 CO 0.12 0.27 -0.05 -0.54 0.00 0.00 0.00 173.10 172.90 1vlr s GLU 77 N -3.02 1.27 0.05 2.90 2.02 0.21 -4.92 118.70 117.21 1vlr s GLU 77 Ca 0.14 -1.61 -0.14 0.00 0.02 0.00 0.00 54.97 53.38 1vlr s GLU 77 Cb -0.00 -0.72 -0.06 0.00 0.10 0.00 0.00 34.13 33.45 1vlr s GLU 77 CO 0.01 -0.00 0.44 -0.51 0.02 0.00 0.00 175.26 175.23 1vlr s ASP 78 N -3.28 6.79 0.02 -0.19 1.01 -1.26 -0.23 116.67 119.53 1vlr s ASP 78 Ca 0.24 0.96 -0.00 0.00 0.71 0.00 0.00 52.55 54.47 1vlr s ASP 78 Cb 0.04 -2.25 -0.02 0.00 1.01 0.00 0.00 42.92 41.70 1vlr s ASP 78 CO 0.06 0.24 -0.02 0.00 0.21 0.00 0.00 175.17 175.66 1vlr s ALA 79 N -1.24 0.10 -0.17 5.23 0.00 -0.47 -1.18 121.76 124.04 1vlr s ALA 79 Ca 0.29 -0.52 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 1vlr s ALA 79 Cb -0.16 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 1vlr s ALA 79 CO 0.16 -0.15 -0.03 0.08 0.00 0.00 0.00 175.76 175.83 1vlr s VAL 80 N -1.31 3.89 -0.12 0.00 1.01 -0.00 -0.35 120.40 123.52 1vlr s VAL 80 Ca -0.14 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1vlr s VAL 80 Cb -0.09 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.58 1vlr s VAL 80 CO -0.01 0.47 -0.20 -0.69 0.00 0.00 0.00 175.10 174.67 1vlr s VAL 81 N 0.59 1.85 -0.18 2.92 1.01 -0.47 -0.49 120.40 125.62 1vlr s VAL 81 Ca -0.02 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1vlr s VAL 81 Cb -0.14 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1vlr s VAL 81 CO 0.02 0.51 -0.05 -0.63 0.00 0.00 0.00 175.10 174.95 1vlr s ILE 82 N 0.72 3.51 -0.09 2.22 1.01 0.02 -0.09 121.20 128.51 1vlr s ILE 82 Ca -0.11 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.10 1vlr s ILE 82 Cb -0.16 -2.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 1vlr s ILE 82 CO 0.01 0.46 -0.19 -0.76 0.00 0.00 0.00 174.94 174.47 1vlr s LEU 83 N 0.90 2.39 -0.05 2.97 1.43 0.00 -1.11 118.68 125.22 1vlr s LEU 83 Ca -0.01 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1vlr s LEU 83 Cb -0.15 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.61 1vlr s LEU 83 CO 0.01 0.22 0.02 -0.70 0.23 0.00 0.00 176.35 176.12 1vlr s GLU 84 N 0.02 0.31 0.66 1.70 2.12 -0.23 -1.18 118.70 122.11 1vlr s GLU 84 Ca -0.07 0.16 -0.17 0.00 0.36 0.00 0.00 54.97 55.26 1vlr s GLU 84 Cb -0.15 -0.66 -0.00 0.00 0.26 0.00 0.00 34.13 33.58 1vlr s GLU 84 CO 0.05 -0.24 1.19 0.15 -0.54 0.00 0.00 175.26 175.87 1vlr s LYS 85 N 1.64 2.62 0.23 4.30 -0.14 -0.70 -1.24 119.74 126.45 1vlr s LYS 85 Ca -0.01 1.72 -0.10 0.00 -1.36 0.00 0.00 55.97 56.22 1vlr s LYS 85 Cb -0.13 -1.90 -0.07 0.00 -1.68 0.00 0.00 37.83 34.05 1vlr s LYS 85 CO -0.03 -1.46 0.56 0.95 -0.76 0.00 0.00 175.35 174.61 1vlr s THR 86 N -1.88 4.91 0.76 2.17 -4.23 -1.25 -4.83 115.64 111.28 1vlr s THR 86 Ca 0.74 0.54 -0.13 0.00 -1.18 0.00 0.00 61.69 61.66 1vlr s THR 86 Cb -0.28 -3.63 0.05 0.00 1.34 0.00 0.00 72.50 69.99 1vlr s THR 86 CO 0.39 -0.05 1.13 -2.84 -0.54 0.00 0.00 174.62 172.71 1vlr s PRO 87 N -2.75 2.16 0.33 3.99 0.02 -1.26 -5.00 135.00 132.49 1vlr s PRO 87 Ca 0.47 1.43 -0.26 0.00 0.02 0.00 0.00 61.00 62.66 1vlr s PRO 87 Cb -0.11 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 32.44 1vlr s PRO 87 CO 0.21 -1.75 0.97 -0.06 -0.33 0.00 0.00 177.00 176.04 1vlr s PHE 88 N -2.49 3.61 -0.23 6.54 0.08 -1.26 -5.04 117.98 119.19 1vlr s PHE 88 Ca 0.67 1.76 -0.07 0.00 0.12 0.00 0.00 56.93 59.41 1vlr s PHE 88 Cb -0.22 -2.98 -0.03 0.00 -0.57 0.00 0.00 43.02 39.22 1vlr s PHE 88 CO 0.50 0.02 0.05 -0.65 -0.10 0.00 0.00 175.22 175.03 1vlr s GLN 89 N -2.09 3.67 0.26 0.44 -0.21 -1.26 -5.00 119.66 115.48 1vlr s GLN 89 Ca 0.51 -0.48 -0.03 0.00 0.02 0.00 0.00 55.36 55.38 1vlr s GLN 89 Cb -0.20 -3.23 0.38 0.00 1.00 0.00 0.00 33.01 30.96 1vlr s GLN 89 CO 0.26 -0.08 1.88 -0.24 -2.12 0.00 0.00 175.29 174.99 1vlr h VAL 90 N 5.43 1.10 -0.79 1.09 3.04 -1.99 -0.79 116.25 123.34 1vlr h VAL 90 Ca -0.37 -0.41 0.04 0.00 -1.01 0.00 0.00 66.70 64.95 1vlr h VAL 90 Cb 1.17 -0.18 -0.05 0.00 -2.01 0.00 0.00 31.29 30.22 1vlr h VAL 90 CO 0.60 0.22 0.49 -0.08 -1.01 0.00 0.00 177.57 177.79 1vlr h GLU 91 N 1.18 0.90 -0.48 4.17 4.57 -1.99 0.34 114.58 123.28 1vlr h GLU 91 Ca 0.42 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.59 1vlr h GLU 91 Cb 0.13 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.48 1vlr h GLU 91 CO -0.16 0.60 0.25 0.45 -1.18 0.00 0.00 179.01 178.96 1vlr h HIS 92 N 0.93 0.45 -0.18 0.92 3.86 -1.59 -0.88 115.15 118.65 1vlr h HIS 92 Ca 0.33 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.49 1vlr h HIS 92 Cb 0.09 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.42 1vlr h HIS 92 CO -0.04 0.23 -0.17 0.28 0.86 0.00 0.00 177.93 179.09 1vlr h VAL 93 N 0.48 1.33 -0.50 2.45 2.07 -0.60 -0.47 116.25 121.02 1vlr h VAL 93 Ca 0.21 -1.32 0.07 0.00 0.82 0.00 0.00 66.70 66.48 1vlr h VAL 93 Cb 0.11 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 1vlr h VAL 93 CO -0.14 0.40 0.18 0.00 0.02 0.00 0.00 177.57 178.02 1vlr h ALA 94 N 0.64 0.62 -0.28 1.67 0.00 -0.21 -1.17 119.26 120.52 1vlr h ALA 94 Ca 0.03 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1vlr h ALA 94 Cb 0.70 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1vlr h ALA 94 CO 0.04 -0.21 -0.26 1.96 0.00 0.00 0.00 179.25 180.78 1vlr h GLN 95 N 0.36 0.54 -0.66 0.00 4.20 -1.09 -3.04 115.11 115.41 1vlr h GLN 95 Ca 0.24 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 1vlr h GLN 95 Cb 0.26 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1vlr h GLN 95 CO -0.25 0.75 0.22 1.25 -0.67 0.00 0.00 178.83 180.14 1vlr h LEU 96 N 0.47 0.95 -0.95 1.46 5.85 -0.22 -2.92 115.31 119.95 1vlr h LEU 96 Ca 0.07 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1vlr h LEU 96 Cb 0.70 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1vlr h LEU 96 CO 0.05 0.89 0.00 -0.07 -0.34 0.00 0.00 178.44 178.98 1vlr h LEU 97 N 0.95 0.00 -2.12 2.25 3.38 -1.14 -1.59 115.31 117.05 1vlr h LEU 97 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1vlr h LEU 97 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1vlr h LEU 97 CO -0.01 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.87 1vlr n THR 98 N -2.44 0.27 -1.65 0.22 -2.24 -1.13 -4.68 114.28 102.64 1vlr n THR 98 Ca 0.01 -0.64 -0.22 0.00 -2.27 0.00 0.00 64.05 60.94 1vlr n THR 98 Cb 0.23 1.21 0.09 0.00 -2.10 0.00 0.00 70.33 69.76 1vlr n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vlr n GLY 99 N 1.35 5.79 3.51 3.38 0.00 -0.60 -5.00 105.19 113.61 1vlr n GLY 99 Ca 0.16 -2.13 -0.23 0.00 0.00 0.00 0.00 46.02 43.82 1vlr n GLY 99 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vlr n SER 100 N -0.90 -5.94 -4.75 1.61 7.64 -1.26 -4.94 113.62 105.09 1vlr n SER 100 Ca 0.47 -0.83 -0.36 0.00 1.01 0.00 0.00 58.87 59.17 1vlr n SER 100 Cb 0.92 -3.96 0.04 0.00 -1.01 0.00 0.00 64.21 60.20 1vlr n SER 100 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1vlr s PRO 101 N -5.17 2.83 -0.36 1.43 0.04 -1.26 -4.97 135.00 127.54 1vlr s PRO 101 Ca 0.39 1.83 -0.27 0.00 0.04 0.00 0.00 61.00 62.98 1vlr s PRO 101 Cb -0.11 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1vlr s PRO 101 CO 0.82 -1.32 1.01 -2.00 0.04 0.00 0.00 177.00 175.55 1vlr s GLU 102 N -3.43 3.92 -0.01 4.56 2.12 -1.26 -5.00 118.70 119.60 1vlr s GLU 102 Ca 0.77 0.78 0.06 0.00 0.36 0.00 0.00 54.97 56.94 1vlr s GLU 102 Cb -0.31 -3.79 -0.02 0.00 0.26 0.00 0.00 34.13 30.28 1vlr s GLU 102 CO 0.35 -0.97 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.39 1vlr s LEU 103 N 3.65 2.05 -0.21 2.70 1.43 -1.26 -0.67 118.68 126.36 1vlr s LEU 103 Ca 0.42 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1vlr s LEU 103 Cb -0.11 -1.05 0.03 0.00 0.03 0.00 0.00 46.19 45.08 1vlr s LEU 103 CO 0.19 0.25 -0.15 -0.54 0.23 0.00 0.00 176.35 176.33 1vlr s LYS 104 N -0.52 2.84 0.12 1.70 3.01 0.46 -4.96 119.74 122.40 1vlr s LYS 104 Ca 0.08 -0.95 -0.31 0.00 -1.01 0.00 0.00 55.97 53.78 1vlr s LYS 104 Cb -0.08 -2.73 -0.09 0.00 -1.01 0.00 0.00 37.83 33.92 1vlr s LYS 104 CO -0.01 -0.31 1.46 -1.17 0.51 0.00 0.00 175.35 175.83 1vlr s LEU 105 N 1.27 4.37 -0.24 3.17 2.96 -1.26 -1.06 118.68 127.88 1vlr s LEU 105 Ca 0.01 2.42 0.03 0.00 -0.22 0.00 0.00 54.13 56.37 1vlr s LEU 105 Cb -0.15 -3.59 -0.17 0.00 0.50 0.00 0.00 46.19 42.78 1vlr s LEU 105 CO -0.09 -0.72 -0.19 0.00 -1.32 0.00 0.00 176.35 174.03 1vlr n GLN 106 N 4.07 0.64 -3.56 1.98 1.13 0.48 -4.92 117.38 117.21 1vlr n GLN 106 Ca 0.12 0.13 -0.17 0.00 -1.94 0.00 0.00 57.00 55.15 1vlr n GLN 106 Cb 0.41 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.20 1vlr n GLN 106 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1vlr s PHE 107 N -2.49 -0.69 -0.07 1.08 5.36 -1.17 -4.99 117.98 115.01 1vlr s PHE 107 Ca -0.31 1.35 -0.20 0.00 -0.96 0.00 0.00 56.93 56.81 1vlr s PHE 107 Cb 0.08 0.36 0.04 0.00 -0.34 0.00 0.00 43.02 43.17 1vlr s PHE 107 CO 0.59 -0.54 0.47 -1.54 -1.46 0.00 0.00 175.22 172.74 1vlr s SER 108 N -0.73 -0.41 0.00 6.13 1.04 -1.26 -0.67 113.70 117.80 1vlr s SER 108 Ca -0.08 0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1vlr s SER 108 Cb -0.02 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1vlr s SER 108 CO 0.07 -0.43 0.00 -0.46 0.98 0.00 0.00 173.24 173.40 1vlr n ASN 109 N 1.55 1.04 0.05 7.02 0.23 0.36 -5.00 115.26 120.51 1vlr n ASN 109 Ca -0.19 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 53.88 1vlr n ASN 109 Cb 0.56 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.64 1vlr n ASN 109 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1vlr h ASP 110 N 0.00 0.37 0.00 0.53 2.03 -2.06 -3.35 116.42 113.94 1vlr h ASP 110 Ca 0.00 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 1vlr h ASP 110 Cb 0.00 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 38.40 1vlr h ASP 110 CO 0.00 0.42 -0.73 2.30 -1.03 0.00 0.00 179.24 180.20 1vlr n ILE 111 N -4.33 0.00 -3.86 4.15 -5.35 -1.26 -5.05 119.36 103.66 1vlr n ILE 111 Ca 0.01 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.14 1vlr n ILE 111 Cb 0.20 0.12 -0.09 0.00 -1.74 0.00 0.00 39.64 38.13 1vlr n ILE 111 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1vlr s TYR 112 N -1.52 3.35 -0.00 4.28 6.14 -1.26 -5.09 117.35 123.25 1vlr s TYR 112 Ca 0.00 0.24 0.01 0.00 0.64 0.00 0.00 57.07 57.95 1vlr s TYR 112 Cb 0.00 -2.11 -0.00 0.00 0.42 0.00 0.00 41.96 40.27 1vlr s TYR 112 CO 0.00 0.27 -0.02 -1.12 0.64 0.00 0.00 175.55 175.32 1vlr s SER 113 N 0.25 0.23 -0.00 4.32 0.01 -1.26 -0.49 113.70 116.75 1vlr s SER 113 Ca 0.07 -0.03 0.08 0.00 1.31 0.00 0.00 55.95 57.37 1vlr s SER 113 Cb -0.12 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 1vlr s SER 113 CO -0.01 0.02 -0.26 -0.89 0.41 0.00 0.00 173.24 172.52 1vlr s THR 114 N 0.00 2.03 0.05 1.44 2.01 0.15 -5.00 115.64 116.32 1vlr s THR 114 Ca 0.00 -1.15 -0.01 0.00 0.31 0.00 0.00 61.69 60.84 1vlr s THR 114 Cb -0.01 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1vlr s THR 114 CO -0.00 0.52 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.11 1vlr s TYR 115 N -0.65 0.47 -0.24 4.92 1.51 -1.26 -0.39 117.35 121.71 1vlr s TYR 115 Ca 0.10 -0.97 -0.18 0.00 -1.01 0.00 0.00 57.07 55.01 1vlr s TYR 115 Cb -0.10 -0.35 -0.03 0.00 -0.11 0.00 0.00 41.96 41.37 1vlr s TYR 115 CO -0.00 -0.35 0.52 -0.80 -1.11 0.00 0.00 175.55 173.80 1vlr s ASN 116 N -2.68 6.47 -0.23 2.29 0.01 -0.23 -4.89 114.94 115.69 1vlr s ASN 116 Ca 0.03 0.57 -0.09 0.00 -0.71 0.00 0.00 52.86 52.66 1vlr s ASN 116 Cb 0.05 -2.28 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 1vlr s ASN 116 CO -0.09 -0.26 0.12 -0.22 -1.51 0.00 0.00 177.10 175.15 1vlr s LEU 117 N 2.11 3.94 -0.59 0.60 2.96 -1.26 -0.40 118.68 126.04 1vlr s LEU 117 Ca 0.22 0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 54.10 1vlr s LEU 117 Cb -0.16 -2.04 0.15 0.00 0.50 0.00 0.00 46.19 44.65 1vlr s LEU 117 CO 0.09 0.08 0.46 -0.36 -1.32 0.00 0.00 176.35 175.30 1vlr s PHE 118 N 0.97 3.50 0.68 5.38 0.08 0.15 -5.02 117.98 123.71 1vlr s PHE 118 Ca 0.06 -2.14 -0.10 0.00 0.12 0.00 0.00 56.93 54.87 1vlr s PHE 118 Cb -0.13 -3.48 0.02 0.00 -0.57 0.00 0.00 43.02 38.85 1vlr s PHE 118 CO 0.03 -0.95 1.04 -1.25 -0.10 0.00 0.00 175.22 174.00 1vlr s PRO 119 N 0.70 2.80 0.98 0.24 0.04 -1.26 -3.99 135.00 134.51 1vlr s PRO 119 Ca 0.11 0.29 -0.11 0.00 0.04 0.00 0.00 61.00 61.33 1vlr s PRO 119 Cb -0.21 -2.09 0.18 0.00 0.04 0.00 0.00 34.50 32.42 1vlr s PRO 119 CO -0.03 -0.98 1.10 -1.25 0.04 0.00 0.00 177.00 175.88 1vlr s PRO 120 N -5.27 0.49 0.53 0.56 0.04 -1.26 -4.89 135.00 125.21 1vlr s PRO 120 Ca 0.57 1.24 0.32 0.00 0.04 0.00 0.00 61.00 63.17 1vlr s PRO 120 Cb -0.11 -1.69 1.41 0.00 0.04 0.00 0.00 34.50 34.15 1vlr s PRO 120 CO 0.49 -2.89 2.01 0.07 0.04 0.00 0.00 177.00 176.72 1vlr h ARG 121 N -2.04 0.00 0.00 4.56 0.11 -1.98 -2.10 114.38 112.93 1vlr h ARG 121 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1vlr h ARG 121 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 1vlr h ARG 121 CO 0.46 0.07 0.00 -2.39 0.10 0.00 0.00 179.97 178.21 1vlr n HIS 122 N -3.26 0.00 0.15 4.08 1.44 -1.26 -3.00 115.22 113.37 1vlr n HIS 122 Ca -0.00 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.81 1vlr n HIS 122 Cb 0.29 -0.21 -0.15 0.00 0.12 0.00 0.00 29.99 30.05 1vlr n HIS 122 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1vlr n LEU 123 N -1.21 0.16 -0.54 2.39 4.32 -0.79 -4.64 117.00 116.70 1vlr n LEU 123 Ca 0.16 -0.09 0.05 0.00 -0.02 0.00 0.00 56.01 56.11 1vlr n LEU 123 Cb 0.19 0.00 0.13 0.00 -1.62 0.00 0.00 43.42 42.12 1vlr n LEU 123 CO 0.20 0.04 0.61 -1.54 -1.22 0.00 0.00 177.39 175.48 1vlr n SER 124 N -2.07 2.77 -4.76 -1.43 3.41 -1.16 -4.87 113.62 105.51 1vlr n SER 124 Ca -0.02 -1.99 -0.38 0.00 -0.26 0.00 0.00 58.87 56.21 1vlr n SER 124 Cb 0.48 -0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.26 1vlr n SER 124 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1vlr s ASP 125 N -1.00 5.68 -0.14 4.04 -4.77 -1.19 -4.96 116.67 114.34 1vlr s ASP 125 Ca 0.19 2.62 0.01 0.00 -3.30 0.00 0.00 52.55 52.07 1vlr s ASP 125 Cb 0.10 -2.63 -0.01 0.00 -1.09 0.00 0.00 42.92 39.30 1vlr s ASP 125 CO 0.13 -1.28 -0.16 -0.63 0.70 0.00 0.00 175.17 173.93 1vlr s ILE 126 N -1.37 2.70 -0.01 2.11 1.01 -1.26 -3.83 121.20 120.55 1vlr s ILE 126 Ca 0.67 -0.77 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 1vlr s ILE 126 Cb -0.37 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 1vlr s ILE 126 CO 0.44 0.52 1.39 -0.75 0.00 0.00 0.00 174.94 176.55 1vlr s LYS 127 N 0.62 4.28 -0.18 2.79 2.20 -0.37 -4.87 119.74 124.20 1vlr s LYS 127 Ca -0.09 1.94 -0.00 0.00 -0.36 0.00 0.00 55.97 57.46 1vlr s LYS 127 Cb -0.16 -3.60 0.04 0.00 -1.51 0.00 0.00 37.83 32.61 1vlr s LYS 127 CO 0.03 -0.58 -0.07 0.99 -0.36 0.00 0.00 175.35 175.36 1vlr s THR 128 N 2.50 1.30 -0.18 3.43 2.01 -1.26 -1.07 115.64 122.37 1vlr s THR 128 Ca 0.63 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.79 1vlr s THR 128 Cb -0.31 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 1vlr s THR 128 CO 0.26 0.12 0.01 -0.89 -0.69 0.00 0.00 174.62 173.43 1vlr s THR 129 N 1.54 4.23 -0.13 -0.82 2.01 -0.27 -4.96 115.64 117.25 1vlr s THR 129 Ca -0.00 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 61.80 1vlr s THR 129 Cb -0.16 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.46 1vlr s THR 129 CO -0.08 0.46 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.39 1vlr s VAL 130 N 0.60 2.07 -0.31 3.82 1.01 -1.26 -0.80 120.40 125.53 1vlr s VAL 130 Ca 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 1vlr s VAL 130 Cb -0.14 -1.81 0.06 0.00 0.00 0.00 0.00 36.38 34.49 1vlr s VAL 130 CO 0.02 0.55 0.02 -0.69 0.00 0.00 0.00 175.10 175.00 1vlr s VAL 131 N 0.64 3.03 -0.15 2.92 1.01 0.35 -5.00 120.40 123.21 1vlr s VAL 131 Ca -0.11 -1.45 -0.07 0.00 0.00 0.00 0.00 61.98 60.35 1vlr s VAL 131 Cb -0.16 -2.78 0.06 0.00 0.00 0.00 0.00 36.38 33.49 1vlr s VAL 131 CO 0.02 -0.17 0.34 -0.47 0.00 0.00 0.00 175.10 174.82 1vlr s TYR 132 N 1.24 -0.51 0.51 5.22 5.04 -1.26 -0.82 117.35 126.77 1vlr s TYR 132 Ca -0.04 1.11 -0.20 0.00 -2.44 0.00 0.00 57.07 55.50 1vlr s TYR 132 Cb -0.20 0.17 -0.07 0.00 0.35 0.00 0.00 41.96 42.20 1vlr s TYR 132 CO -0.01 -0.32 1.06 -1.25 -1.34 0.00 0.00 175.55 173.69 1vlr s PRO 133 N 1.56 3.64 -0.16 4.97 0.04 -1.26 -5.11 135.00 138.68 1vlr s PRO 133 Ca -0.08 1.42 -0.16 0.00 0.04 0.00 0.00 61.00 62.22 1vlr s PRO 133 Cb -0.10 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1vlr s PRO 133 CO -0.11 -0.57 0.37 0.00 0.04 0.00 0.00 177.00 176.73 1vlr s ALA 134 N -1.96 3.55 0.59 8.56 0.00 -0.32 -4.98 121.76 127.19 1vlr s ALA 134 Ca 0.69 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.23 1vlr s ALA 134 Cb -0.18 -2.53 0.03 0.00 0.00 0.00 0.00 23.12 20.44 1vlr s ALA 134 CO 0.23 -0.02 0.86 0.95 0.00 0.00 0.00 175.76 177.78 1vlr s THR 135 N 0.71 3.00 0.31 0.00 -4.23 -1.26 -4.59 115.64 109.57 1vlr s THR 135 Ca 0.20 -0.36 0.07 0.00 -1.18 0.00 0.00 61.69 60.42 1vlr s THR 135 Cb -0.14 -3.19 0.30 0.00 1.34 0.00 0.00 72.50 70.82 1vlr s THR 135 CO 0.07 -0.17 1.75 -0.08 -0.54 0.00 0.00 174.62 175.65 1vlr h GLU 136 N -0.14 0.63 -0.94 3.99 4.57 -1.99 0.56 114.58 121.26 1vlr h GLU 136 Ca -0.44 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 57.73 1vlr h GLU 136 Cb 1.29 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 29.68 1vlr h GLU 136 CO 0.57 0.42 0.62 0.87 -1.18 0.00 0.00 179.01 180.31 1vlr h LYS 137 N 0.65 1.19 -0.31 1.92 6.56 -1.98 0.18 116.57 124.77 1vlr h LYS 137 Ca 0.61 -0.07 -0.06 0.00 -1.06 0.00 0.00 60.65 60.06 1vlr h LYS 137 Cb 1.06 -0.27 -0.01 0.00 -0.57 0.00 0.00 32.23 32.44 1vlr h LYS 137 CO -0.44 0.79 -0.06 0.45 -2.06 0.00 0.00 179.45 178.13 1vlr h HIS 138 N 1.22 0.66 -0.80 -1.35 3.86 -1.32 0.14 115.15 117.56 1vlr h HIS 138 Ca 0.36 -0.13 -0.04 0.00 -1.16 0.00 0.00 60.37 59.40 1vlr h HIS 138 Cb -0.05 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.22 1vlr h HIS 138 CO -0.01 0.76 0.36 -0.07 0.86 0.00 0.00 177.93 179.83 1vlr h LEU 139 N 0.37 1.07 -0.50 2.43 3.38 -0.64 -2.08 115.31 119.34 1vlr h LEU 139 Ca 0.08 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 1vlr h LEU 139 Cb 0.53 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1vlr h LEU 139 CO 0.03 0.92 -0.68 1.56 0.09 0.00 0.00 178.44 180.36 1vlr h GLN 140 N 1.15 0.34 -0.91 1.13 1.08 -0.54 -2.53 115.11 114.84 1vlr h GLN 140 Ca 0.27 -0.26 0.05 0.00 -1.45 0.00 0.00 58.65 57.26 1vlr h GLN 140 Cb 0.16 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.58 1vlr h GLN 140 CO -0.03 0.89 0.58 -0.22 -0.95 0.00 0.00 178.83 179.11 1vlr h LYS 141 N 0.24 1.07 0.00 1.46 3.64 -0.15 -3.16 116.57 119.68 1vlr h LYS 141 Ca -0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1vlr h LYS 141 Cb 1.22 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1vlr h LYS 141 CO 0.11 0.70 -0.89 0.66 -2.27 0.00 0.00 179.45 177.77 1vlr n TYR 142 N -4.54 0.01 -1.72 1.91 4.01 -0.83 -4.90 117.16 111.09 1vlr n TYR 142 Ca 0.12 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.44 1vlr n TYR 142 Cb 0.13 -0.10 -0.02 0.00 -0.31 0.00 0.00 39.34 39.05 1vlr n TYR 142 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 1vlr n MET 143 N -1.54 2.47 -1.61 -0.72 1.56 -0.96 -4.15 117.12 112.16 1vlr n MET 143 Ca 0.04 0.87 -0.46 0.00 -0.27 0.00 0.00 57.70 57.89 1vlr n MET 143 Cb 0.34 -2.60 -0.03 0.00 2.15 0.00 0.00 33.22 33.09 1vlr n MET 143 CO 0.00 0.00 0.00 2.89 -0.73 0.00 0.00 175.97 178.13 1vlr n ARG 144 N 1.74 1.52 -1.95 2.12 0.00 0.12 -4.90 116.66 115.33 1vlr n ARG 144 Ca 0.08 0.54 -0.39 0.00 -0.00 0.00 0.00 57.85 58.08 1vlr n ARG 144 Cb 0.36 -2.04 0.01 0.00 -0.00 0.00 0.00 32.46 30.79 1vlr n ARG 144 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1vlr s GLN 145 N -0.91 3.72 -0.46 2.89 -0.21 -1.26 -4.99 119.66 118.44 1vlr s GLN 145 Ca 0.65 2.21 0.01 0.00 0.02 0.00 0.00 55.36 58.25 1vlr s GLN 145 Cb -0.73 -2.60 0.12 0.00 1.00 0.00 0.00 33.01 30.80 1vlr s GLN 145 CO 0.55 -0.72 0.22 0.34 -2.12 0.00 0.00 175.29 173.56 1vlr s ASP 146 N -0.77 4.91 0.06 5.90 2.15 -1.26 -5.09 116.67 122.57 1vlr s ASP 146 Ca 0.61 -2.45 -0.00 0.00 0.43 0.00 0.00 52.55 51.14 1vlr s ASP 146 Cb -0.39 -1.74 -0.04 0.00 -0.30 0.00 0.00 42.92 40.45 1vlr s ASP 146 CO 0.50 -0.39 0.22 -0.76 -0.17 0.00 0.00 175.17 174.56 1vlr s LEU 147 N 0.51 4.36 0.04 -1.34 1.43 -1.26 -1.20 118.68 121.22 1vlr s LEU 147 Ca 0.13 0.29 0.06 0.00 -1.03 0.00 0.00 54.13 53.57 1vlr s LEU 147 Cb -0.22 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.02 1vlr s LEU 147 CO -0.04 0.17 -0.16 -0.13 0.23 0.00 0.00 176.35 176.42 1vlr s ARG 148 N -2.49 1.08 0.18 1.70 1.81 0.38 -4.91 118.95 116.70 1vlr s ARG 148 Ca 0.35 -0.80 -0.20 0.00 -1.72 0.00 0.00 55.73 53.36 1vlr s ARG 148 Cb -0.13 -1.12 -0.08 0.00 -0.45 0.00 0.00 34.95 33.17 1vlr s ARG 148 CO 0.27 0.28 0.70 -0.51 -0.68 0.00 0.00 175.30 175.37 1vlr s LEU 149 N -1.10 4.42 0.02 2.53 1.43 -1.26 -0.64 118.68 124.08 1vlr s LEU 149 Ca 0.04 1.42 0.05 0.00 -1.03 0.00 0.00 54.13 54.60 1vlr s LEU 149 Cb -0.08 -3.40 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 1vlr s LEU 149 CO 0.01 0.11 -0.15 -0.51 0.23 0.00 0.00 176.35 176.05 1vlr s ILE 150 N -1.38 1.15 -0.42 -0.59 1.10 0.81 -4.95 121.20 116.92 1vlr s ILE 150 Ca 0.39 -0.86 -0.05 0.00 -0.51 0.00 0.00 60.65 59.61 1vlr s ILE 150 Cb -0.18 -1.01 0.11 0.00 0.15 0.00 0.00 42.46 41.53 1vlr s ILE 150 CO 0.22 0.13 0.24 -0.13 -2.11 0.00 0.00 174.94 173.29 1vlr s ARG 151 N -0.84 2.23 -0.40 3.50 0.52 -1.26 -1.40 118.95 121.29 1vlr s ARG 151 Ca 0.03 -1.73 -0.23 0.00 -0.52 0.00 0.00 55.73 53.29 1vlr s ARG 151 Cb -0.07 -3.68 0.02 0.00 0.52 0.00 0.00 34.95 31.74 1vlr s ARG 151 CO 0.01 -1.07 0.75 -2.00 0.02 0.00 0.00 175.30 173.01 1vlr s GLU 152 N 1.24 3.57 0.86 3.54 2.12 0.56 -4.88 118.70 125.71 1vlr s GLU 152 Ca 0.06 0.06 -0.12 0.00 0.36 0.00 0.00 54.97 55.33 1vlr s GLU 152 Cb -0.24 -3.87 0.11 0.00 0.26 0.00 0.00 34.13 30.39 1vlr s GLU 152 CO -0.02 -0.95 1.11 0.95 -0.54 0.00 0.00 175.26 175.80 1vlr s THR 153 N 3.10 2.66 0.28 -1.70 -4.23 -1.26 -1.52 115.64 112.97 1vlr s THR 153 Ca 0.29 0.22 0.01 0.00 -1.18 0.00 0.00 61.69 61.02 1vlr s THR 153 Cb -0.13 -2.90 0.27 0.00 1.34 0.00 0.00 72.50 71.08 1vlr s THR 153 CO 0.19 -0.28 1.82 1.23 -0.54 0.00 0.00 174.62 177.04 1vlr h GLY 154 N -1.33 1.58 1.63 3.99 0.00 -1.67 -0.44 103.07 106.83 1vlr h GLY 154 Ca -0.49 -0.39 -0.17 0.00 0.00 0.00 0.00 47.33 46.28 1vlr h GLY 154 CO 0.59 0.12 -0.67 -0.55 0.00 0.00 0.00 176.54 176.03 1vlr h ASP 155 N 0.91 0.43 -0.79 0.19 3.32 -1.88 -2.03 116.42 116.56 1vlr h ASP 155 Ca 0.49 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1vlr h ASP 155 Cb 0.52 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1vlr h ASP 155 CO -0.28 0.98 0.45 0.44 -1.72 0.00 0.00 179.24 179.10 1vlr h ASP 156 N 0.26 0.98 0.09 6.45 3.32 -1.65 0.74 116.42 126.62 1vlr h ASP 156 Ca -0.02 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1vlr h ASP 156 Cb 1.22 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1vlr h ASP 156 CO 0.11 0.79 -0.05 0.22 -1.72 0.00 0.00 179.24 178.59 1vlr h TYR 157 N 1.10 -0.12 -0.83 4.55 3.20 -0.87 -0.01 116.97 123.99 1vlr h TYR 157 Ca 0.28 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1vlr h TYR 157 Cb 0.01 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 1vlr h TYR 157 CO 0.00 0.15 0.49 0.00 -1.64 0.00 0.00 178.16 177.17 1vlr h ARG 158 N -0.38 1.13 0.00 1.82 3.08 -1.17 0.20 114.38 119.07 1vlr h ARG 158 Ca -0.01 -0.11 -0.31 0.00 0.07 0.00 0.00 59.98 59.62 1vlr h ARG 158 Cb 0.32 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1vlr h ARG 158 CO 0.02 0.80 -1.89 0.25 -1.07 0.00 0.00 179.97 178.08 1vlr n THR 159 N -4.44 1.56 0.02 2.04 -2.24 0.24 -4.45 114.28 107.01 1vlr n THR 159 Ca 0.08 -0.81 -0.02 0.00 -2.27 0.00 0.00 64.05 61.04 1vlr n THR 159 Cb 0.06 -0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 67.38 1vlr n THR 159 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1vlr n ILE 160 N -2.98 1.26 -0.01 2.28 2.08 -0.11 -4.65 119.36 117.24 1vlr n ILE 160 Ca -0.21 0.34 -0.12 0.00 0.56 0.00 0.00 62.75 63.32 1vlr n ILE 160 Cb 1.08 -1.74 -0.06 0.00 -0.75 0.00 0.00 39.64 38.17 1vlr n ILE 160 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1vlr h THR 161 N -0.20 1.14 0.28 1.39 2.02 -0.99 -2.44 112.91 114.10 1vlr h THR 161 Ca -0.00 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1vlr h THR 161 Cb 0.23 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1vlr h THR 161 CO -0.00 0.12 -0.14 0.25 0.37 0.00 0.00 175.52 176.12 1vlr h LEU 162 N -0.02 -0.32 -0.85 2.58 5.85 -0.83 0.29 115.31 122.01 1vlr h LEU 162 Ca 0.03 -0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.90 1vlr h LEU 162 Cb 0.16 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.17 1vlr h LEU 162 CO -0.00 -0.21 0.41 -0.65 -0.34 0.00 0.00 178.44 177.65 1vlr h PRO 163 N -0.41 0.54 -0.26 5.25 0.11 -1.77 -0.06 132.00 135.39 1vlr h PRO 163 Ca -0.04 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 1vlr h PRO 163 Cb 0.31 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1vlr h PRO 163 CO 0.06 0.36 0.14 -0.92 -0.21 0.00 0.00 178.00 177.43 1vlr h TYR 164 N 0.56 0.37 -0.53 0.65 3.20 -0.85 -1.44 116.97 118.92 1vlr h TYR 164 Ca 0.48 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.34 1vlr h TYR 164 Cb 0.74 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 1vlr h TYR 164 CO -0.11 0.31 0.35 -0.07 -1.64 0.00 0.00 178.16 177.01 1vlr h LEU 165 N 0.31 0.61 -1.92 2.82 3.38 -0.09 -2.32 115.31 118.10 1vlr h LEU 165 Ca 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1vlr h LEU 165 Cb 0.07 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1vlr h LEU 165 CO -0.01 0.45 -0.06 -0.33 0.09 0.00 0.00 178.44 178.58 1vlr h GLU 166 N 0.72 0.00 0.00 1.13 5.08 -0.77 0.22 114.58 120.96 1vlr h GLU 166 Ca 0.19 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1vlr h GLU 166 Cb -0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1vlr h GLU 166 CO -0.04 0.06 -0.42 0.66 -1.00 0.00 0.00 179.01 178.27 1vlr h SER 167 N 0.00 0.00 0.06 1.42 4.64 -0.74 -3.16 113.55 115.77 1vlr h SER 167 Ca -0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1vlr h SER 167 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1vlr h SER 167 CO 0.01 0.42 -0.89 1.56 -0.87 0.00 0.00 176.83 177.05 1vlr h GLN 168 N 0.00 0.13 -7.03 4.77 1.08 -0.93 -3.48 115.11 109.65 1vlr h GLN 168 Ca -0.00 -0.22 -0.61 0.00 -1.45 0.00 0.00 58.65 56.36 1vlr h GLN 168 Cb 1.06 0.08 -0.13 0.00 -0.05 0.00 0.00 27.48 28.44 1vlr h GLN 168 CO 0.05 1.11 -0.99 0.43 -0.95 0.00 0.00 178.83 178.48 1vlr n SER 169 N -4.26 -1.00 -4.77 1.46 7.64 0.71 -4.87 113.62 108.53 1vlr n SER 169 Ca -0.21 -1.29 -0.40 0.00 1.01 0.00 0.00 58.87 57.98 1vlr n SER 169 Cb 0.72 -1.62 -0.01 0.00 -1.01 0.00 0.00 64.21 62.29 1vlr n SER 169 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1vlr s LEU 170 N -7.43 4.34 0.33 -3.43 1.43 -1.26 -4.96 118.68 107.70 1vlr s LEU 170 Ca 0.19 2.67 -0.29 0.00 -1.03 0.00 0.00 54.13 55.67 1vlr s LEU 170 Cb -0.11 -3.76 -0.11 0.00 0.03 0.00 0.00 46.19 42.25 1vlr s LEU 170 CO 0.99 -0.66 1.45 -0.55 0.23 0.00 0.00 176.35 177.81 1vlr s SER 171 N -0.60 6.51 -0.24 2.29 0.15 -1.26 -4.92 113.70 115.63 1vlr s SER 171 Ca 0.52 2.88 0.10 0.00 0.70 0.00 0.00 55.95 60.15 1vlr s SER 171 Cb -0.39 -2.65 0.45 0.00 -1.71 0.00 0.00 66.02 61.72 1vlr s SER 171 CO 0.51 -0.76 1.28 2.30 1.20 0.00 0.00 173.24 177.77 1vlr n ILE 172 N 1.10 2.34 -0.08 6.45 -5.35 -1.26 -4.84 119.36 117.72 1vlr n ILE 172 Ca 0.03 -3.23 0.07 0.00 -0.27 0.00 0.00 62.75 59.34 1vlr n ILE 172 Cb 0.40 -0.36 0.42 0.00 -1.74 0.00 0.00 39.64 38.36 1vlr n ILE 172 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 1vlr h GLN 173 N 1.13 0.56 -0.84 6.28 5.75 -2.00 0.27 115.11 126.26 1vlr h GLN 173 Ca 0.10 -0.03 0.15 0.00 -0.15 0.00 0.00 58.65 58.71 1vlr h GLN 173 Cb 1.21 -0.13 -0.06 0.00 1.07 0.00 0.00 27.48 29.57 1vlr h GLN 173 CO 0.18 0.37 0.55 0.11 -2.65 0.00 0.00 178.83 177.40 1vlr h TRP 174 N 0.58 0.68 0.05 3.99 5.08 -1.99 0.11 115.95 124.45 1vlr h TRP 174 Ca 0.24 0.02 -0.00 0.00 1.08 0.00 0.00 58.89 60.22 1vlr h TRP 174 Cb 0.21 -0.22 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1vlr h TRP 174 CO -0.00 0.25 -0.02 0.28 -1.28 0.00 0.00 178.44 177.67 1vlr h VAL 175 N 0.58 1.12 -0.31 0.12 2.07 -1.34 -2.18 116.25 116.30 1vlr h VAL 175 Ca 0.42 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1vlr h VAL 175 Cb 0.79 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1vlr h VAL 175 CO -0.17 0.13 0.05 1.88 0.02 0.00 0.00 177.57 179.49 1vlr h TYR 176 N -0.30 0.46 -0.78 1.57 0.05 -1.19 -1.62 116.97 115.16 1vlr h TYR 176 Ca -0.01 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 1vlr h TYR 176 Cb 0.27 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.83 1vlr h TYR 176 CO 0.00 0.43 0.32 -0.91 -1.05 0.00 0.00 178.16 176.95 1vlr h ASN 177 N 0.45 1.06 -0.28 3.88 2.35 -0.59 0.16 115.58 122.61 1vlr h ASN 177 Ca 0.11 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1vlr h ASN 177 Cb 0.21 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1vlr h ASN 177 CO -0.00 0.93 0.10 0.40 -1.65 0.00 0.00 177.43 177.21 1vlr h ILE 178 N 1.13 1.19 -0.25 2.81 2.04 -0.68 -2.76 117.51 120.99 1vlr h ILE 178 Ca 0.26 -0.61 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 1vlr h ILE 178 Cb 0.20 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1vlr h ILE 178 CO -0.02 0.20 -0.19 -0.07 0.00 0.00 0.00 178.15 178.07 1vlr h LEU 179 N 0.30 0.43 -0.19 1.44 3.38 -0.93 -2.35 115.31 117.39 1vlr h LEU 179 Ca 0.09 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1vlr h LEU 179 Cb 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1vlr h LEU 179 CO -0.00 0.64 -0.12 0.47 0.09 0.00 0.00 178.44 179.52 1vlr n ASP 180 N -4.17 0.41 -1.44 -0.43 8.00 0.01 -5.10 116.55 113.84 1vlr n ASP 180 Ca -0.00 -0.46 0.04 0.00 0.71 0.00 0.00 54.79 55.08 1vlr n ASP 180 Cb 0.36 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.34 1vlr n ASP 180 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1vlr n LYS 181 N -1.04 -3.22 0.00 -1.24 4.76 -0.89 -5.06 118.16 111.47 1vlr n LYS 181 Ca 0.13 2.54 0.00 0.00 -2.87 0.00 0.00 58.31 58.11 1vlr n LYS 181 Cb 0.28 -3.39 0.00 0.00 -1.84 0.00 0.00 35.03 30.09 1vlr n LYS 181 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1vlr n ASP 186 N -2.99 0.00 0.05 4.39 9.92 -1.26 -4.75 116.55 121.91 1vlr n ASP 186 Ca -0.02 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.36 1vlr n ASP 186 Cb 0.45 0.00 0.22 0.00 -0.64 0.00 0.00 41.12 41.15 1vlr n ASP 186 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1vlr n ARG 187 N 0.00 0.24 -1.73 -1.24 1.74 -1.26 -4.89 116.66 109.52 1vlr n ARG 187 Ca 0.00 0.08 -0.42 0.00 -0.77 0.00 0.00 57.85 56.74 1vlr n ARG 187 Cb 0.00 -1.67 -0.03 0.00 -1.02 0.00 0.00 32.46 29.74 1vlr n ARG 187 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1vlr s ILE 188 N -3.13 2.68 -0.08 0.55 1.01 -1.26 -4.32 121.20 116.64 1vlr s ILE 188 Ca 0.08 0.10 0.13 0.00 0.00 0.00 0.00 60.65 60.95 1vlr s ILE 188 Cb 0.14 -3.06 -0.24 0.00 0.01 0.00 0.00 42.46 39.31 1vlr s ILE 188 CO 0.70 -0.00 0.52 0.52 0.00 0.00 0.00 174.94 176.68 1vlr n VAL 189 N 4.88 1.57 -3.69 2.92 0.31 0.36 -4.97 118.33 119.72 1vlr n VAL 189 Ca 0.18 -0.80 -0.14 0.00 -0.01 0.00 0.00 64.34 63.57 1vlr n VAL 189 Cb 0.39 -0.96 -0.09 0.00 -0.91 0.00 0.00 33.84 32.27 1vlr n VAL 189 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1vlr s PHE 190 N -2.57 -0.46 -0.06 3.52 5.36 -1.18 -5.01 117.98 117.57 1vlr s PHE 190 Ca -0.07 1.01 -0.03 0.00 -0.96 0.00 0.00 56.93 56.88 1vlr s PHE 190 Cb 0.08 0.20 0.04 0.00 -0.34 0.00 0.00 43.02 42.99 1vlr s PHE 190 CO 0.82 -0.35 0.14 -2.00 -1.46 0.00 0.00 175.22 172.37 1vlr s GLU 191 N -0.39 0.09 -0.41 10.12 2.12 -1.26 -0.71 118.70 128.25 1vlr s GLU 191 Ca -0.05 0.34 -0.13 0.00 0.36 0.00 0.00 54.97 55.48 1vlr s GLU 191 Cb -0.03 -0.16 0.04 0.00 0.26 0.00 0.00 34.13 34.24 1vlr s GLU 191 CO 0.03 -0.15 0.29 1.21 -0.54 0.00 0.00 175.26 176.10 1vlr s ASN 192 N 1.04 5.97 0.00 -1.70 3.84 -0.56 -4.99 114.94 118.55 1vlr s ASN 192 Ca -0.08 -1.07 0.18 0.00 0.21 0.00 0.00 52.86 52.10 1vlr s ASN 192 Cb -0.10 -2.11 1.05 0.00 -0.55 0.00 0.00 41.25 39.54 1vlr s ASN 192 CO -0.05 -0.48 1.68 -0.81 -2.79 0.00 0.00 177.10 174.65 1vlr n PRO 193 N 5.10 1.02 -1.69 0.43 -0.04 -1.26 -0.45 135.00 138.11 1vlr n PRO 193 Ca -0.11 -0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 62.88 1vlr n PRO 193 Cb 0.46 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.60 1vlr n PRO 193 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1vlr n ASP 194 N -0.75 3.90 0.14 3.54 -0.08 -1.26 -4.83 116.55 117.21 1vlr n ASP 194 Ca 0.13 1.00 0.13 0.00 -1.51 0.00 0.00 54.79 54.54 1vlr n ASP 194 Cb 0.07 -1.52 0.48 0.00 2.34 0.00 0.00 41.12 42.49 1vlr n ASP 194 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1vlr h PRO 195 N 8.22 0.00 0.00 -0.67 0.13 -1.92 0.67 132.00 138.43 1vlr h PRO 195 Ca -0.46 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.29 1vlr h PRO 195 Cb 1.23 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 1vlr h PRO 195 CO 0.94 0.00 -2.26 0.45 -0.23 0.00 0.00 178.00 176.90 1vlr n SER 196 N -2.36 1.71 -0.85 1.44 2.88 -1.26 -2.68 113.62 112.51 1vlr n SER 196 Ca 0.03 0.30 0.07 0.00 -1.33 0.00 0.00 58.87 57.94 1vlr n SER 196 Cb 0.30 -0.71 0.20 0.00 -0.75 0.00 0.00 64.21 63.25 1vlr n SER 196 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1vlr n ASP 197 N -4.10 3.24 -5.03 -3.46 8.00 -1.24 -4.37 116.55 109.59 1vlr n ASP 197 Ca -0.46 -2.02 -0.20 0.00 0.71 0.00 0.00 54.79 52.83 1vlr n ASP 197 Cb 0.81 -0.31 0.06 0.00 -0.02 0.00 0.00 41.12 41.67 1vlr n ASP 197 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1vlr s GLY 198 N -1.01 1.73 0.02 0.44 0.00 0.23 -4.43 107.32 104.30 1vlr s GLY 198 Ca 0.31 -2.16 -0.28 0.00 0.00 0.00 0.00 44.72 42.59 1vlr s GLY 198 CO 0.21 -1.71 0.97 -0.11 0.00 0.00 0.00 173.10 172.45 1vlr s PHE 199 N -2.70 -0.24 0.10 1.90 -0.71 0.40 -1.60 117.98 115.13 1vlr s PHE 199 Ca 0.61 0.07 0.08 0.00 -1.04 0.00 0.00 56.93 56.66 1vlr s PHE 199 Cb -0.05 0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 1vlr s PHE 199 CO 0.39 -0.57 -0.17 0.14 -1.34 0.00 0.00 175.22 173.67 1vlr s VAL 200 N -3.05 2.92 -0.18 -2.49 -7.23 -0.15 -1.49 120.40 108.73 1vlr s VAL 200 Ca 0.08 -1.40 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 1vlr s VAL 200 Cb -0.01 -2.32 0.01 0.00 0.56 0.00 0.00 36.38 34.62 1vlr s VAL 200 CO -0.05 0.15 -0.17 -0.22 -0.31 0.00 0.00 175.10 174.50 1vlr s LEU 201 N -2.00 2.30 -0.01 1.32 2.96 0.11 -0.84 118.68 122.52 1vlr s LEU 201 Ca 0.18 -0.58 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 1vlr s LEU 201 Cb -0.11 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 1vlr s LEU 201 CO 0.10 0.02 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.42 1vlr s ILE 202 N 1.21 0.75 0.40 6.68 1.01 -0.16 -0.49 121.20 130.60 1vlr s ILE 202 Ca 0.03 -0.41 -0.27 0.00 0.00 0.00 0.00 60.65 59.99 1vlr s ILE 202 Cb -0.14 -0.63 -0.10 0.00 0.01 0.00 0.00 42.46 41.60 1vlr s ILE 202 CO -0.09 0.20 1.44 -2.65 0.00 0.00 0.00 174.94 173.84 1vlr n PRO 203 N 2.83 2.43 -1.78 2.79 -0.02 -1.26 -0.11 135.00 139.88 1vlr n PRO 203 Ca -0.14 0.86 -0.40 0.00 -2.02 0.00 0.00 63.50 61.80 1vlr n PRO 203 Cb 0.57 -2.60 0.01 0.00 -0.02 0.00 0.00 33.50 31.45 1vlr n PRO 203 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1vlr s ASP 204 N -0.29 6.08 0.41 2.55 2.15 0.23 -4.79 116.67 123.01 1vlr s ASP 204 Ca 0.57 3.02 0.11 0.00 0.43 0.00 0.00 52.55 56.67 1vlr s ASP 204 Cb -0.48 -2.66 0.92 0.00 -0.30 0.00 0.00 42.92 40.40 1vlr s ASP 204 CO 0.61 -1.05 1.98 -0.07 -0.17 0.00 0.00 175.17 176.47 1vlr h LEU 205 N 2.65 0.48 -0.01 -1.34 3.38 -1.92 -1.89 115.31 116.65 1vlr h LEU 205 Ca -0.51 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1vlr h LEU 205 Cb 1.25 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1vlr h LEU 205 CO 0.63 0.30 0.00 0.29 0.09 0.00 0.00 178.44 179.74 1vlr n LYS 206 N -4.48 0.18 -2.80 1.13 5.02 -1.26 -4.63 118.16 111.32 1vlr n LYS 206 Ca 0.10 0.15 -0.43 0.00 -2.02 0.00 0.00 58.31 56.10 1vlr n LYS 206 Cb 0.30 -1.71 -0.04 0.00 -0.02 0.00 0.00 35.03 33.57 1vlr n LYS 206 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1vlr s TRP 207 N -3.07 2.95 -0.79 2.13 -0.00 -0.71 -4.90 118.94 114.56 1vlr s TRP 207 Ca 0.12 0.51 0.23 0.00 -0.00 0.00 0.00 56.10 56.96 1vlr s TRP 207 Cb 0.14 -3.92 0.90 0.00 -0.00 0.00 0.00 33.47 30.59 1vlr s TRP 207 CO 0.57 -1.04 1.70 0.27 -0.00 0.00 0.00 176.95 178.45 1vlr n ASN 208 N 7.12 0.37 -0.29 5.86 0.23 -1.26 -4.82 115.26 122.47 1vlr n ASN 208 Ca 0.07 0.56 -0.04 0.00 -0.53 0.00 0.00 54.58 54.65 1vlr n ASN 208 Cb 0.48 -0.65 -0.02 0.00 -2.08 0.00 0.00 39.78 37.52 1vlr n ASN 208 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vlr n GLN 209 N -1.88 -1.15 0.00 -3.83 6.02 -1.26 -4.86 117.38 110.43 1vlr n GLN 209 Ca 0.04 0.50 0.10 0.00 -0.01 0.00 0.00 57.00 57.63 1vlr n GLN 209 Cb 0.28 -4.46 0.51 0.00 1.02 0.00 0.00 30.24 27.58 1vlr n GLN 209 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1vlr n GLN 210 N -1.12 0.21 -3.50 -1.09 1.13 -1.26 -4.80 117.38 106.96 1vlr n GLN 210 Ca -0.04 0.10 -0.11 0.00 -1.94 0.00 0.00 57.00 55.02 1vlr n GLN 210 Cb 0.34 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.17 1vlr n GLN 210 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1vlr s GLN 211 N -2.70 1.32 0.00 -1.09 0.00 -1.26 -5.06 119.66 110.87 1vlr s GLN 211 Ca 0.17 -0.54 0.23 0.00 -0.00 0.00 0.00 55.36 55.23 1vlr s GLN 211 Cb 0.14 0.57 0.15 0.00 0.00 0.00 0.00 33.01 33.88 1vlr s GLN 211 CO 0.34 -0.58 1.17 1.28 0.00 0.00 0.00 175.29 177.50 1vlr n LEU 212 N -0.38 1.19 0.15 2.60 4.77 -1.26 -4.38 117.00 119.68 1vlr n LEU 212 Ca -0.14 -0.43 0.06 0.00 -0.03 0.00 0.00 56.01 55.47 1vlr n LEU 212 Cb 0.64 -0.07 0.55 0.00 -2.33 0.00 0.00 43.42 42.21 1vlr n LEU 212 CO 0.12 0.25 1.11 0.44 -1.33 0.00 0.00 177.39 177.98 1vlr h ASP 213 N 0.88 0.20 -0.09 -1.43 5.19 -2.00 -2.01 116.42 117.16 1vlr h ASP 213 Ca 0.00 -0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 1vlr h ASP 213 Cb 0.57 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.99 1vlr h ASP 213 CO 0.00 0.14 -0.50 -0.90 -3.12 0.00 0.00 179.24 174.86 1vlr n ASP 214 N -4.51 2.04 -4.58 6.45 5.75 -1.26 -4.12 116.55 116.31 1vlr n ASP 214 Ca -0.00 -3.89 -0.51 0.00 -0.01 0.00 0.00 54.79 50.38 1vlr n ASP 214 Cb 0.08 -0.52 -0.05 0.00 -1.03 0.00 0.00 41.12 39.60 1vlr n ASP 214 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1vlr n LEU 215 N -1.09 1.54 -3.29 -2.12 0.00 -0.76 -4.85 117.00 106.44 1vlr n LEU 215 Ca 0.22 1.13 -0.02 0.00 0.00 0.00 0.00 56.01 57.34 1vlr n LEU 215 Cb 0.73 -1.20 -0.04 0.00 0.00 0.00 0.00 43.42 42.92 1vlr n LEU 215 CO 0.01 -1.19 0.08 -0.47 0.00 0.00 0.00 177.39 175.83 1vlr s TYR 216 N 0.16 -1.26 0.20 1.96 5.04 -1.25 -1.38 117.35 120.81 1vlr s TYR 216 Ca 0.79 1.44 0.10 0.00 -2.44 0.00 0.00 57.07 56.96 1vlr s TYR 216 Cb -0.91 0.38 -0.04 0.00 0.35 0.00 0.00 41.96 41.73 1vlr s TYR 216 CO 0.49 -0.78 -0.19 -0.51 -1.34 0.00 0.00 175.55 173.22 1vlr s LEU 217 N 2.74 2.49 -0.05 6.97 1.02 0.03 -0.60 118.68 131.28 1vlr s LEU 217 Ca 0.15 -0.92 0.05 0.00 0.02 0.00 0.00 54.13 53.42 1vlr s LEU 217 Cb -0.15 -0.92 -0.00 0.00 0.02 0.00 0.00 46.19 45.14 1vlr s LEU 217 CO -0.18 -0.02 -0.19 -0.63 0.02 0.00 0.00 176.35 175.35 1vlr s ILE 218 N -2.23 1.54 -0.22 -0.59 1.09 0.84 -0.37 121.20 121.26 1vlr s ILE 218 Ca 0.21 -0.78 -0.11 0.00 -1.10 0.00 0.00 60.65 58.87 1vlr s ILE 218 Cb -0.05 -1.32 -0.05 0.00 -1.06 0.00 0.00 42.46 39.98 1vlr s ILE 218 CO 0.09 0.44 0.18 0.00 -0.10 0.00 0.00 174.94 175.55 1vlr s ALA 219 N 0.01 3.62 -0.17 9.38 0.00 0.13 -0.99 121.76 133.74 1vlr s ALA 219 Ca -0.04 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 1vlr s ALA 219 Cb -0.12 -2.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 1vlr s ALA 219 CO 0.02 -0.10 -0.11 0.42 0.00 0.00 0.00 175.76 176.00 1vlr s ILE 220 N 0.88 3.00 0.46 0.00 1.01 -0.02 -0.37 121.20 126.16 1vlr s ILE 220 Ca 0.09 -0.65 -0.23 0.00 0.00 0.00 0.00 60.65 59.87 1vlr s ILE 220 Cb -0.13 -2.30 -0.07 0.00 0.01 0.00 0.00 42.46 39.96 1vlr s ILE 220 CO 0.03 0.49 1.15 0.00 0.00 0.00 0.00 174.94 176.61 1vlr h HIS 222 N 2.06 0.88 -3.81 0.00 3.86 -1.57 -3.45 115.15 113.12 1vlr h HIS 222 Ca -0.49 -0.19 -0.53 0.00 -1.16 0.00 0.00 60.37 58.00 1vlr h HIS 222 Cb 1.24 -0.22 0.08 0.00 1.06 0.00 0.00 27.41 29.58 1vlr h HIS 222 CO 0.54 0.91 0.72 0.50 0.86 0.00 0.00 177.93 181.45 1vlr s ARG 223 N -4.68 4.24 0.20 2.45 3.52 -1.09 -4.93 118.95 118.65 1vlr s ARG 223 Ca -0.09 2.38 -0.04 0.00 -0.13 0.00 0.00 55.73 57.85 1vlr s ARG 223 Cb 0.13 -3.03 -0.05 0.00 -1.56 0.00 0.00 34.95 30.44 1vlr s ARG 223 CO 0.83 -0.37 0.43 1.03 -0.81 0.00 0.00 175.30 176.41 1vlr s ARG 224 N -1.67 3.60 0.00 5.12 3.00 -1.26 -4.59 118.95 123.15 1vlr s ARG 224 Ca 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 55.73 56.13 1vlr s ARG 224 Cb -0.43 -2.79 0.00 0.00 0.00 0.00 0.00 34.95 31.73 1vlr s ARG 224 CO 0.55 0.38 0.00 0.41 0.00 0.00 0.00 175.30 176.65 1vlr n GLY 225 N -0.38 0.73 3.34 -3.53 0.00 -1.26 -5.00 105.19 99.08 1vlr n GLY 225 Ca -0.03 -0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 1vlr n GLY 225 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vlr s ILE 226 N -2.00 5.06 0.08 -0.61 1.01 -1.26 -4.94 121.20 118.53 1vlr s ILE 226 Ca 0.00 -1.31 -0.17 0.00 0.00 0.00 0.00 60.65 59.17 1vlr s ILE 226 Cb 0.00 -4.40 -0.11 0.00 0.01 0.00 0.00 42.46 37.95 1vlr s ILE 226 CO 0.00 -0.98 1.37 0.03 0.00 0.00 0.00 174.94 175.37 1vlr h ARG 227 N 8.99 0.59 0.00 2.79 3.08 -1.94 0.28 114.38 128.17 1vlr h ARG 227 Ca -0.29 -0.33 0.07 0.00 0.07 0.00 0.00 59.98 59.50 1vlr h ARG 227 Cb 1.09 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1vlr h ARG 227 CO 1.06 0.93 0.25 -1.13 -1.07 0.00 0.00 179.97 180.01 1vlr n SER 228 N -4.34 -0.69 -0.36 7.04 3.41 -1.26 -2.84 113.62 114.59 1vlr n SER 228 Ca -0.05 -1.35 0.27 0.00 -0.26 0.00 0.00 58.87 57.47 1vlr n SER 228 Cb 0.46 1.11 0.53 0.00 -0.26 0.00 0.00 64.21 66.05 1vlr n SER 228 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1vlr h LEU 229 N 0.00 0.43 -2.83 1.04 3.38 -1.94 -1.51 115.31 113.88 1vlr h LEU 229 Ca -0.11 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1vlr h LEU 229 Cb 0.48 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1vlr h LEU 229 CO 0.15 -0.06 0.01 0.03 0.09 0.00 0.00 178.44 178.66 1vlr h ARG 230 N 0.30 0.00 -0.01 1.13 2.47 -1.95 -1.24 114.38 115.08 1vlr h ARG 230 Ca 0.71 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.43 1vlr h ARG 230 Cb 1.83 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.15 1vlr h ARG 230 CO -0.44 0.00 -0.29 -0.25 0.56 0.00 0.00 179.97 179.54 1vlr n ASP 231 N -3.27 1.59 -4.71 7.04 8.00 -0.57 -4.46 116.55 120.18 1vlr n ASP 231 Ca -0.03 -1.26 -0.42 0.00 0.71 0.00 0.00 54.79 53.79 1vlr n ASP 231 Cb 0.09 0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 1vlr n ASP 231 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1vlr s LEU 232 N -2.40 4.37 0.30 0.64 1.43 -0.47 -5.00 118.68 117.54 1vlr s LEU 232 Ca 0.24 1.86 0.02 0.00 -1.03 0.00 0.00 54.13 55.22 1vlr s LEU 232 Cb 0.19 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.79 1vlr s LEU 232 CO 0.50 -0.39 0.11 0.42 0.23 0.00 0.00 176.35 177.23 1vlr s THR 233 N 1.09 0.63 0.64 5.49 -4.23 -1.26 -4.56 115.64 113.44 1vlr s THR 233 Ca 0.56 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.43 1vlr s THR 233 Cb -0.26 -2.60 0.38 0.00 1.34 0.00 0.00 72.50 71.36 1vlr s THR 233 CO 0.28 0.00 2.19 -0.65 -0.54 0.00 0.00 174.62 175.90 1vlr h PRO 234 N 2.22 0.00 -0.29 3.99 0.11 -1.88 -0.23 132.00 135.91 1vlr h PRO 234 Ca -0.37 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.82 1vlr h PRO 234 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1vlr h PRO 234 CO 0.60 0.00 0.22 1.49 -0.21 0.00 0.00 178.00 180.10 1vlr h GLU 235 N 0.00 0.00 -0.01 1.05 4.81 -1.96 -1.09 114.58 117.38 1vlr h GLU 235 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1vlr h GLU 235 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1vlr h GLU 235 CO -0.00 0.00 -0.06 0.72 -0.73 0.00 0.00 179.01 178.94 1vlr n HIS 236 N -4.36 0.00 -0.13 0.92 8.25 -0.10 -4.38 115.22 115.42 1vlr n HIS 236 Ca 0.04 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.43 1vlr n HIS 236 Cb 0.38 -0.04 0.02 0.00 1.12 0.00 0.00 29.99 31.47 1vlr n HIS 236 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1vlr h LEU 237 N 1.84 0.36 -0.59 2.41 3.38 -1.29 -0.62 115.31 120.81 1vlr h LEU 237 Ca 0.00 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1vlr h LEU 237 Cb 0.46 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1vlr h LEU 237 CO 0.00 0.26 0.26 -0.65 0.09 0.00 0.00 178.44 178.40 1vlr h PRO 238 N 0.47 0.46 0.21 1.13 0.11 -1.80 0.15 132.00 132.73 1vlr h PRO 238 Ca 0.17 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.26 1vlr h PRO 238 Cb 0.03 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 1vlr h PRO 238 CO -0.09 0.31 -0.28 1.25 -0.21 0.00 0.00 178.00 178.98 1vlr h LEU 239 N 0.48 -0.76 -0.57 2.35 5.85 -1.65 0.13 115.31 121.14 1vlr h LEU 239 Ca 0.29 0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.13 1vlr h LEU 239 Cb 0.29 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1vlr h LEU 239 CO -0.25 -0.38 0.31 -0.07 -0.34 0.00 0.00 178.44 177.71 1vlr h LEU 240 N -0.54 0.46 -0.89 2.25 3.38 -0.76 -0.94 115.31 118.28 1vlr h LEU 240 Ca 0.01 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1vlr h LEU 240 Cb 0.53 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1vlr h LEU 240 CO -0.10 0.31 0.30 0.03 0.09 0.00 0.00 178.44 179.07 1vlr h ARG 241 N 0.59 1.11 -0.44 1.13 3.08 -0.58 -1.86 114.38 117.41 1vlr h ARG 241 Ca 0.25 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 60.14 1vlr h ARG 241 Cb 0.13 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1vlr h ARG 241 CO -0.16 0.90 0.22 -0.91 -1.07 0.00 0.00 179.97 178.96 1vlr h ASN 242 N 1.09 0.33 -0.13 7.04 2.35 -0.35 0.59 115.58 126.49 1vlr h ASN 242 Ca 0.25 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1vlr h ASN 242 Cb 0.20 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1vlr h ASN 242 CO -0.02 0.23 0.08 0.40 -1.65 0.00 0.00 177.43 176.47 1vlr h ILE 243 N 0.45 1.06 -0.11 2.81 2.04 -0.92 0.25 117.51 123.10 1vlr h ILE 243 Ca 0.19 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1vlr h ILE 243 Cb 0.09 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1vlr h ILE 243 CO -0.13 0.06 0.02 0.25 0.00 0.00 0.00 178.15 178.35 1vlr h LEU 244 N 0.15 0.17 0.32 1.44 5.85 -1.22 0.69 115.31 122.71 1vlr h LEU 244 Ca 0.05 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1vlr h LEU 244 Cb 0.02 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1vlr h LEU 244 CO -0.01 0.38 -0.15 -0.09 -0.34 0.00 0.00 178.44 178.22 1vlr h ARG 245 N -0.04 -0.41 -0.04 1.25 2.43 -0.80 -2.61 114.38 114.15 1vlr h ARG 245 Ca 0.03 0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 1vlr h ARG 245 Cb 0.27 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1vlr h ARG 245 CO 0.00 -0.10 -0.52 0.93 -1.51 0.00 0.00 179.97 178.77 1vlr h GLU 246 N -0.96 0.12 -0.52 0.20 5.08 -0.60 -0.76 114.58 117.14 1vlr h GLU 246 Ca -0.04 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1vlr h GLU 246 Cb 0.51 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1vlr h GLU 246 CO 0.07 0.61 0.13 0.78 -1.00 0.00 0.00 179.01 179.61 1vlr h GLY 247 N 1.47 0.89 0.89 -3.84 0.00 -0.91 -0.08 103.07 101.49 1vlr h GLY 247 Ca 0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 1vlr h GLY 247 CO 0.07 0.51 0.05 1.46 0.00 0.00 0.00 176.54 178.64 1vlr h GLN 248 N 0.72 0.51 -0.72 4.80 4.20 -1.26 -1.80 115.11 121.57 1vlr h GLN 248 Ca 0.16 -0.14 0.08 0.00 0.06 0.00 0.00 58.65 58.82 1vlr h GLN 248 Cb 0.32 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.98 1vlr h GLN 248 CO 0.00 0.61 0.38 0.93 -0.67 0.00 0.00 178.83 180.08 1vlr h GLU 249 N 0.34 0.64 -0.55 1.46 5.08 -1.03 0.18 114.58 120.70 1vlr h GLU 249 Ca 0.09 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1vlr h GLU 249 Cb 0.34 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1vlr h GLU 249 CO 0.01 0.42 0.26 0.00 -1.00 0.00 0.00 179.01 178.70 1vlr h ALA 250 N 1.41 0.71 -0.15 3.43 0.00 -0.83 -1.27 119.26 122.57 1vlr h ALA 250 Ca 0.34 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1vlr h ALA 250 Cb 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1vlr h ALA 250 CO -0.24 0.29 -0.44 0.82 0.00 0.00 0.00 179.25 179.68 1vlr h ILE 251 N 0.75 1.32 -0.16 0.00 2.04 -0.97 -0.43 117.51 120.06 1vlr h ILE 251 Ca 0.19 -1.62 -0.02 0.00 1.00 0.00 0.00 64.86 64.42 1vlr h ILE 251 Cb 0.14 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1vlr h ILE 251 CO -0.02 0.49 0.04 0.25 0.00 0.00 0.00 178.15 178.90 1vlr h LEU 252 N 0.29 0.25 -0.49 1.44 5.85 -0.76 0.46 115.31 122.34 1vlr h LEU 252 Ca 0.02 -0.24 -0.17 0.00 0.84 0.00 0.00 57.88 58.34 1vlr h LEU 252 Cb 0.90 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1vlr h LEU 252 CO 0.07 0.42 -0.64 0.11 -0.34 0.00 0.00 178.44 178.07 1vlr h LYS 253 N 0.06 0.43 0.20 1.25 1.57 -1.03 0.03 116.57 119.09 1vlr h LYS 253 Ca 0.05 -0.31 -0.32 0.00 -1.87 0.00 0.00 60.65 58.20 1vlr h LYS 253 Cb 0.27 0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.65 1vlr h LYS 253 CO 0.00 0.93 -1.53 -0.09 -0.57 0.00 0.00 179.45 178.18 1vlr h ARG 254 N 0.31 0.42 -0.00 3.15 2.43 -1.06 -3.40 114.38 116.22 1vlr h ARG 254 Ca -0.01 -0.71 0.00 0.00 -0.81 0.00 0.00 59.98 58.45 1vlr h ARG 254 Cb 1.19 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 1vlr h ARG 254 CO 0.11 1.34 -0.04 0.66 -1.51 0.00 0.00 179.97 180.53 1vlr n TYR 255 N -3.73 0.00 -2.58 2.20 4.01 0.14 -5.00 117.16 112.19 1vlr n TYR 255 Ca -0.21 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.34 1vlr n TYR 255 Cb 1.04 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 40.08 1vlr n TYR 255 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1vlr n GLN 256 N -0.25 -2.62 -3.79 -0.72 3.00 -0.00 -4.98 117.38 108.01 1vlr n GLN 256 Ca 0.01 0.82 -0.36 0.00 -0.01 0.00 0.00 57.00 57.46 1vlr n GLN 256 Cb 0.07 -5.35 -0.12 0.00 0.00 0.00 0.00 30.24 24.84 1vlr n GLN 256 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1vlr s VAL 257 N -2.97 4.39 0.71 5.09 1.01 -1.22 -4.98 120.40 122.43 1vlr s VAL 257 Ca 0.11 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 1vlr s VAL 257 Cb -0.05 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1vlr s VAL 257 CO 0.14 0.35 1.07 0.42 0.00 0.00 0.00 175.10 177.08 1vlr s THR 258 N 1.46 3.87 0.37 3.92 -4.23 -1.26 -3.36 115.64 116.41 1vlr s THR 258 Ca 0.06 0.61 0.13 0.00 -1.18 0.00 0.00 61.69 61.30 1vlr s THR 258 Cb -0.15 -3.31 0.10 0.00 1.34 0.00 0.00 72.50 70.48 1vlr s THR 258 CO 0.04 -0.79 1.84 1.23 -0.54 0.00 0.00 174.62 176.39 1vlr h GLY 259 N -0.80 0.00 1.07 3.99 0.00 -1.95 -1.12 103.07 104.25 1vlr h GLY 259 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1vlr h GLY 259 CO 0.56 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.19 1vlr n ASP 260 N -4.08 0.00 -0.86 0.19 5.75 -1.26 -1.83 116.55 114.45 1vlr n ASP 260 Ca -0.02 -0.49 0.07 0.00 -0.01 0.00 0.00 54.79 54.35 1vlr n ASP 260 Cb 0.40 -0.04 0.23 0.00 -1.03 0.00 0.00 41.12 40.68 1vlr n ASP 260 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1vlr n ARG 261 N -1.04 3.01 -4.63 0.11 1.74 -0.43 -4.97 116.66 110.46 1vlr n ARG 261 Ca 0.13 -2.55 -0.26 0.00 -0.77 0.00 0.00 57.85 54.40 1vlr n ARG 261 Cb 0.07 -1.63 -0.14 0.00 -1.02 0.00 0.00 32.46 29.74 1vlr n ARG 261 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1vlr s LEU 262 N -2.05 2.18 -0.27 0.55 1.43 -0.76 -0.55 118.68 119.21 1vlr s LEU 262 Ca 0.36 -0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 1vlr s LEU 262 Cb 0.26 -1.00 0.01 0.00 0.03 0.00 0.00 46.19 45.49 1vlr s LEU 262 CO 0.13 0.16 0.02 -0.60 0.23 0.00 0.00 176.35 176.29 1vlr s ARG 263 N -1.27 3.08 -0.23 1.70 3.52 0.78 -4.73 118.95 121.80 1vlr s ARG 263 Ca 0.08 -0.84 0.02 0.00 -0.13 0.00 0.00 55.73 54.85 1vlr s ARG 263 Cb -0.09 -3.21 0.05 0.00 -1.56 0.00 0.00 34.95 30.14 1vlr s ARG 263 CO 0.02 -0.39 -0.13 0.08 -0.81 0.00 0.00 175.30 174.08 1vlr s VAL 264 N 1.45 2.02 0.14 7.11 1.01 -1.26 -0.84 120.40 130.03 1vlr s VAL 264 Ca 0.02 -1.35 -0.14 0.00 0.00 0.00 0.00 61.98 60.51 1vlr s VAL 264 Cb -0.17 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.18 1vlr s VAL 264 CO -0.00 0.13 0.37 -0.72 0.00 0.00 0.00 175.10 174.88 1vlr s TYR 265 N 1.21 -0.05 0.23 5.22 1.13 0.07 -0.91 117.35 124.26 1vlr s TYR 265 Ca -0.04 -0.30 0.08 0.00 -1.41 0.00 0.00 57.07 55.40 1vlr s TYR 265 Cb -0.18 0.19 -0.04 0.00 -1.10 0.00 0.00 41.96 40.83 1vlr s TYR 265 CO -0.07 -0.71 0.02 -0.51 -2.51 0.00 0.00 175.55 171.77 1vlr s LEU 266 N -2.85 3.32 -0.09 -3.49 1.02 0.33 0.47 118.68 117.40 1vlr s LEU 266 Ca 0.06 -0.49 -0.05 0.00 0.02 0.00 0.00 54.13 53.66 1vlr s LEU 266 Cb 0.02 -1.90 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 1vlr s LEU 266 CO -0.09 0.03 0.14 -1.00 0.02 0.00 0.00 176.35 175.45 1vlr s HIS 267 N -2.06 3.55 -0.07 0.29 3.76 -1.26 -0.28 115.29 119.22 1vlr s HIS 267 Ca 0.30 0.46 -0.03 0.00 -0.15 0.00 0.00 55.06 55.64 1vlr s HIS 267 Cb -0.08 -1.90 0.04 0.00 1.11 0.00 0.00 32.58 31.76 1vlr s HIS 267 CO 0.20 0.69 0.09 -0.47 -0.85 0.00 0.00 174.74 174.40 1vlr s TYR 268 N -1.10 0.01 0.38 1.40 5.04 0.20 -3.02 117.35 120.26 1vlr s TYR 268 Ca 0.18 0.27 -0.25 0.00 -2.44 0.00 0.00 57.07 54.83 1vlr s TYR 268 Cb -0.12 -0.45 -0.09 0.00 0.35 0.00 0.00 41.96 41.64 1vlr s TYR 268 CO 0.08 -0.26 1.04 -0.51 -1.34 0.00 0.00 175.55 174.57 1vlr s LEU 269 N 2.20 4.19 0.60 6.97 1.43 -1.26 -4.40 118.68 128.41 1vlr s LEU 269 Ca 0.04 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 55.06 1vlr s LEU 269 Cb -0.13 -4.12 -0.05 0.00 0.03 0.00 0.00 46.19 41.92 1vlr s LEU 269 CO -0.05 -0.42 1.01 -2.16 0.23 0.00 0.00 176.35 174.96 1vlr s PRO 270 N -2.37 3.65 0.47 1.29 0.04 -1.17 -4.96 135.00 131.96 1vlr s PRO 270 Ca 0.56 0.76 0.29 0.00 0.04 0.00 0.00 61.00 62.64 1vlr s PRO 270 Cb -0.22 -2.10 0.92 0.00 0.04 0.00 0.00 34.50 33.14 1vlr s PRO 270 CO 0.28 -0.51 1.81 0.77 0.04 0.00 0.00 177.00 179.40 1vlr h SER 271 N -0.11 0.00 -5.04 6.66 0.02 -1.99 -3.44 113.55 109.65 1vlr h SER 271 Ca -0.45 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.39 1vlr h SER 271 Cb 1.19 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.55 1vlr h SER 271 CO 0.62 0.00 -0.36 -0.72 -1.14 0.00 0.00 176.83 175.23 1vlr s TYR 272 N -3.44 -0.02 -1.13 3.45 1.13 -1.26 -5.09 117.35 111.00 1vlr s TYR 272 Ca 0.04 -0.12 -0.04 0.00 -1.41 0.00 0.00 57.07 55.55 1vlr s TYR 272 Cb 0.08 0.01 0.26 0.00 -1.10 0.00 0.00 41.96 41.21 1vlr s TYR 272 CO 0.58 -0.41 1.83 0.66 -2.51 0.00 0.00 175.55 175.70 1vlr n TYR 273 N 0.89 2.59 -3.66 -3.49 4.01 -1.26 -4.76 117.16 111.47 1vlr n TYR 273 Ca -0.20 -2.64 -0.13 0.00 -0.16 0.00 0.00 57.90 54.78 1vlr n TYR 273 Cb 0.58 -1.42 -0.13 0.00 -0.31 0.00 0.00 39.34 38.06 1vlr n TYR 273 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1vlr s HIS 274 N -2.72 -0.48 -0.02 -0.72 2.46 -1.13 -4.35 115.29 108.33 1vlr s HIS 274 Ca 0.39 1.05 -0.38 0.00 0.47 0.00 0.00 55.06 56.59 1vlr s HIS 274 Cb 0.13 0.02 -0.17 0.00 -0.13 0.00 0.00 32.58 32.43 1vlr s HIS 274 CO -0.03 -0.37 1.36 -0.11 -2.47 0.00 0.00 174.74 173.11 1vlr n LEU 275 N 5.31 1.38 -3.80 8.88 7.94 0.99 -4.93 117.00 132.77 1vlr n LEU 275 Ca -0.07 1.12 -0.11 0.00 -1.11 0.00 0.00 56.01 55.84 1vlr n LEU 275 Cb 0.50 -1.11 -0.08 0.00 0.53 0.00 0.00 43.42 43.26 1vlr n LEU 275 CO 0.03 -1.13 -0.04 -1.38 -1.11 0.00 0.00 177.39 173.76 1vlr s HIS 276 N 0.97 -0.01 -0.06 1.96 -3.43 -1.26 -3.04 115.29 110.42 1vlr s HIS 276 Ca 0.89 -0.20 0.03 0.00 -0.80 0.00 0.00 55.06 54.98 1vlr s HIS 276 Cb -1.07 0.03 0.01 0.00 -1.43 0.00 0.00 32.58 30.12 1vlr s HIS 276 CO 0.54 -0.48 -0.14 0.08 -2.00 0.00 0.00 174.74 172.73 1vlr s VAL 277 N -2.74 1.24 -0.08 -5.38 1.01 0.50 -4.65 120.40 110.30 1vlr s VAL 277 Ca -0.04 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 1vlr s VAL 277 Cb -0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 1vlr s VAL 277 CO -0.05 0.37 0.49 -1.00 0.00 0.00 0.00 175.10 174.92 1vlr s HIS 278 N 0.49 3.57 -0.30 5.22 3.76 0.18 -0.69 115.29 127.52 1vlr s HIS 278 Ca -0.12 0.96 0.01 0.00 -0.15 0.00 0.00 55.06 55.76 1vlr s HIS 278 Cb -0.15 -2.53 0.06 0.00 1.11 0.00 0.00 32.58 31.08 1vlr s HIS 278 CO 0.04 0.26 -0.03 -0.06 -0.85 0.00 0.00 174.74 174.10 1vlr s PHE 279 N 0.26 3.35 0.11 1.40 0.40 0.50 -0.75 117.98 123.26 1vlr s PHE 279 Ca 0.27 -2.25 0.09 0.00 -0.60 0.00 0.00 56.93 54.44 1vlr s PHE 279 Cb -0.16 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 1vlr s PHE 279 CO 0.12 -0.87 -0.21 0.95 0.70 0.00 0.00 175.22 175.91 1vlr s THR 280 N 1.14 1.78 0.23 0.64 -4.23 -0.02 -0.79 115.64 114.39 1vlr s THR 280 Ca -0.04 -1.62 -0.31 0.00 -1.18 0.00 0.00 61.69 58.54 1vlr s THR 280 Cb -0.20 -1.64 -0.14 0.00 1.34 0.00 0.00 72.50 71.86 1vlr s THR 280 CO -0.04 -0.08 1.29 0.00 -0.54 0.00 0.00 174.62 175.24 1vlr n ALA 281 N 0.95 0.39 -0.11 3.99 0.00 -0.48 -0.15 120.51 125.10 1vlr n ALA 281 Ca -0.18 0.42 0.01 0.00 0.00 0.00 0.00 53.44 53.69 1vlr n ALA 281 Cb 0.54 -2.17 0.30 0.00 0.00 0.00 0.00 19.45 18.12 1vlr n ALA 281 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1vlr h LEU 282 N 3.64 0.68 0.00 0.00 5.85 -1.11 -1.64 115.31 122.73 1vlr h LEU 282 Ca -0.44 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1vlr h LEU 282 Cb 1.30 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1vlr h LEU 282 CO 0.72 0.55 0.00 0.61 -0.34 0.00 0.00 178.44 179.98 1vlr n GLY 283 N -1.27 -1.00 3.56 3.75 0.00 -1.26 -4.70 105.19 104.27 1vlr n GLY 283 Ca 0.05 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1vlr n GLY 283 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vlr s PHE 284 N -2.66 3.20 -1.21 1.61 5.36 -0.62 -4.98 117.98 118.68 1vlr s PHE 284 Ca 0.17 0.17 -0.19 0.00 -0.96 0.00 0.00 56.93 56.13 1vlr s PHE 284 Cb 0.13 -2.81 -0.02 0.00 -0.34 0.00 0.00 43.02 39.98 1vlr s PHE 284 CO 0.32 -0.47 1.97 0.39 -1.46 0.00 0.00 175.22 175.96 1vlr n GLU 285 N 5.60 2.42 -1.00 10.12 1.02 -1.26 -4.80 120.64 132.73 1vlr n GLU 285 Ca -0.06 -2.61 -0.31 0.00 -0.02 0.00 0.00 57.16 54.16 1vlr n GLU 285 Cb 0.49 -3.35 0.13 0.00 -0.02 0.00 0.00 31.44 28.69 1vlr n GLU 285 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vlr s ALA 286 N 5.37 1.75 -0.04 0.62 0.00 -1.26 -4.91 121.76 123.29 1vlr s ALA 286 Ca 0.55 0.34 -0.37 0.00 0.00 0.00 0.00 51.96 52.49 1vlr s ALA 286 Cb 0.08 -3.33 -0.15 0.00 0.00 0.00 0.00 23.12 19.72 1vlr s ALA 286 CO 0.05 -2.31 1.62 -2.30 0.00 0.00 0.00 175.76 172.81 1vlr n PRO 287 N -3.90 1.57 -3.12 0.00 -0.02 -1.26 -1.93 135.00 126.34 1vlr n PRO 287 Ca 0.10 0.57 -0.20 0.00 -2.02 0.00 0.00 63.50 61.94 1vlr n PRO 287 Cb 0.53 -2.29 0.05 0.00 -0.02 0.00 0.00 33.50 31.76 1vlr n PRO 287 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vlr n GLY 288 N 3.57 -0.39 0.64 -1.23 0.00 -1.26 -4.90 105.19 101.62 1vlr n GLY 288 Ca 0.21 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.43 1vlr n GLY 288 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vlr n SER 289 N -2.20 1.96 -4.73 1.61 3.41 -0.81 -3.61 113.62 109.25 1vlr n SER 289 Ca -0.07 -1.67 -0.33 0.00 -0.26 0.00 0.00 58.87 56.54 1vlr n SER 289 Cb 0.59 -0.04 0.09 0.00 -0.26 0.00 0.00 64.21 64.59 1vlr n SER 289 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1vlr s GLY 290 N -1.88 2.11 0.55 5.00 0.00 -1.26 -4.68 107.32 107.17 1vlr s GLY 290 Ca 0.35 0.67 0.23 0.00 0.00 0.00 0.00 44.72 45.98 1vlr s GLY 290 CO 0.31 1.06 2.16 -0.24 0.00 0.00 0.00 173.10 176.39 1vlr h VAL 291 N -0.57 0.74 0.00 1.40 3.04 -1.92 0.47 116.25 119.42 1vlr h VAL 291 Ca -0.46 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1vlr h VAL 291 Cb 1.27 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 1vlr h VAL 291 CO 0.50 0.00 0.00 -1.84 -1.01 0.00 0.00 177.57 175.22 1vlr n GLU 292 N -4.20 0.80 0.00 4.17 0.00 -1.26 -4.11 120.64 116.04 1vlr n GLU 292 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1vlr n GLU 292 Cb 0.18 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.12 1vlr n GLU 292 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1vlr n ARG 293 N -1.09 0.31 -3.39 3.44 0.63 -0.73 -4.04 116.66 111.79 1vlr n ARG 293 Ca 0.20 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.75 1vlr n ARG 293 Cb 0.14 -0.63 -0.06 0.00 0.45 0.00 0.00 32.46 32.37 1vlr n ARG 293 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vlr s ALA 294 N -1.25 3.64 -0.15 5.13 0.00 0.08 -0.63 121.76 128.58 1vlr s ALA 294 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 1vlr s ALA 294 Cb 0.00 -2.51 0.04 0.00 0.00 0.00 0.00 23.12 20.65 1vlr s ALA 294 CO 0.00 0.44 -0.04 -1.01 0.00 0.00 0.00 175.76 175.15 1vlr s HIS 295 N -1.13 1.52 0.21 0.00 3.76 0.62 -4.73 115.29 115.53 1vlr s HIS 295 Ca 0.27 -0.93 -0.31 0.00 -0.15 0.00 0.00 55.06 53.95 1vlr s HIS 295 Cb -0.18 -1.23 -0.10 0.00 1.11 0.00 0.00 32.58 32.18 1vlr s HIS 295 CO 0.17 -0.57 1.49 -0.51 -0.85 0.00 0.00 174.74 174.46 1vlr s LEU 296 N 1.69 4.38 0.24 0.89 1.43 -1.26 -0.51 118.68 125.54 1vlr s LEU 296 Ca 0.02 2.63 -0.06 0.00 -1.03 0.00 0.00 54.13 55.69 1vlr s LEU 296 Cb -0.15 -3.61 0.34 0.00 0.03 0.00 0.00 46.19 42.80 1vlr s LEU 296 CO -0.08 -0.75 1.83 0.25 0.23 0.00 0.00 176.35 177.83 1vlr h LEU 297 N 5.86 0.75 -1.22 1.79 5.85 -1.35 0.29 115.31 127.28 1vlr h LEU 297 Ca -0.44 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 1vlr h LEU 297 Cb 1.21 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1vlr h LEU 297 CO 0.84 0.47 0.42 0.00 -0.34 0.00 0.00 178.44 179.82 1vlr h ALA 298 N 1.41 1.42 0.01 1.25 0.00 -1.91 -0.65 119.26 120.79 1vlr h ALA 298 Ca 0.37 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.98 1vlr h ALA 298 Cb 0.23 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1vlr h ALA 298 CO -0.19 0.50 -0.94 0.37 0.00 0.00 0.00 179.25 178.99 1vlr h GLN 299 N 0.97 0.32 -0.17 0.00 4.15 -1.66 -2.35 115.11 116.37 1vlr h GLN 299 Ca 0.25 -0.36 0.03 0.00 0.77 0.00 0.00 58.65 59.35 1vlr h GLN 299 Cb -0.03 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 1vlr h GLN 299 CO -0.05 1.06 -0.01 0.28 -1.93 0.00 0.00 178.83 178.17 1vlr h VAL 300 N 0.17 0.87 -0.16 2.39 2.07 -0.42 0.51 116.25 121.67 1vlr h VAL 300 Ca -0.07 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.48 1vlr h VAL 300 Cb 1.58 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 1vlr h VAL 300 CO 0.15 0.01 -0.09 0.40 0.02 0.00 0.00 177.57 178.06 1vlr h ILE 301 N 0.04 0.72 -0.08 4.57 2.04 -1.14 -1.68 117.51 121.99 1vlr h ILE 301 Ca 0.08 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 1vlr h ILE 301 Cb 0.11 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1vlr h ILE 301 CO -0.15 0.00 -0.22 -0.33 0.00 0.00 0.00 178.15 177.46 1vlr h GLU 302 N -0.08 0.13 -0.51 2.37 5.08 -1.17 -1.16 114.58 119.25 1vlr h GLU 302 Ca 0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1vlr h GLU 302 Cb 0.22 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1vlr h GLU 302 CO -0.21 0.35 0.33 -0.91 -1.00 0.00 0.00 179.01 177.57 1vlr h ASN 303 N 0.12 0.59 -0.30 1.42 2.35 -0.48 -0.49 115.58 118.78 1vlr h ASN 303 Ca 0.02 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 1vlr h ASN 303 Cb 0.46 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1vlr h ASN 303 CO 0.03 0.43 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.04 1vlr h LEU 304 N 0.69 0.73 -0.87 1.61 3.38 -0.95 0.67 115.31 120.55 1vlr h LEU 304 Ca 0.18 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1vlr h LEU 304 Cb -0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1vlr h LEU 304 CO -0.04 0.88 0.27 -0.33 0.09 0.00 0.00 178.44 179.31 1vlr h GLU 305 N 0.66 1.10 0.09 1.13 5.08 -0.90 -3.10 114.58 118.64 1vlr h GLU 305 Ca 0.11 -0.20 -0.27 0.00 -1.00 0.00 0.00 59.36 58.00 1vlr h GLU 305 Cb 0.60 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1vlr h GLU 305 CO 0.04 0.91 -1.30 0.00 -1.00 0.00 0.00 179.01 177.66 1vlr s ASP 307 N -6.96 1.82 0.49 0.00 2.15 0.20 -5.03 116.67 109.34 1vlr s ASP 307 Ca -0.04 -0.68 0.22 0.00 0.43 0.00 0.00 52.55 52.48 1vlr s ASP 307 Cb 0.08 0.38 1.27 0.00 -0.30 0.00 0.00 42.92 44.35 1vlr s ASP 307 CO 0.86 -0.38 1.96 -0.65 -0.17 0.00 0.00 175.17 176.79 1vlr h PRO 308 N 8.29 0.15 -0.64 4.34 0.11 -1.78 -0.57 132.00 141.89 1vlr h PRO 308 Ca -0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1vlr h PRO 308 Cb 1.09 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1vlr h PRO 308 CO 0.34 0.10 0.00 1.63 -0.21 0.00 0.00 178.00 179.86 1vlr n LYS 309 N -4.41 3.53 -0.21 1.05 5.02 -1.26 -4.32 118.16 117.56 1vlr n LYS 309 Ca 0.12 -2.83 -0.02 0.00 -2.02 0.00 0.00 58.31 53.56 1vlr n LYS 309 Cb 0.60 -1.82 0.05 0.00 -0.02 0.00 0.00 35.03 33.84 1vlr n LYS 309 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1vlr h HIS 310 N 4.00 -0.57 0.00 2.13 2.76 -1.40 -0.74 115.15 121.33 1vlr h HIS 310 Ca 0.00 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1vlr h HIS 310 Cb 1.36 0.35 0.00 0.00 1.55 0.00 0.00 27.41 30.66 1vlr h HIS 310 CO 0.70 -0.33 0.00 0.66 -1.30 0.00 0.00 177.93 177.66 1vlr n TYR 311 N -5.45 0.06 0.00 5.26 4.01 -1.26 -0.77 117.16 119.01 1vlr n TYR 311 Ca 0.07 0.02 -0.03 0.00 -0.16 0.00 0.00 57.90 57.80 1vlr n TYR 311 Cb 0.35 -0.53 -0.11 0.00 -0.31 0.00 0.00 39.34 38.74 1vlr n TYR 311 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1vlr n GLN 312 N -1.55 0.63 -0.10 -0.72 3.00 -0.41 -4.52 117.38 113.71 1vlr n GLN 312 Ca 0.07 0.19 -0.12 0.00 -0.01 0.00 0.00 57.00 57.13 1vlr n GLN 312 Cb 0.33 -1.76 -0.13 0.00 0.00 0.00 0.00 30.24 28.69 1vlr n GLN 312 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1vlr n GLN 313 N -2.88 0.83 -1.95 -1.09 6.02 -0.46 -4.35 117.38 113.49 1vlr n GLN 313 Ca -0.14 0.06 -0.31 0.00 -0.01 0.00 0.00 57.00 56.59 1vlr n GLN 313 Cb 0.92 -1.46 0.01 0.00 1.02 0.00 0.00 30.24 30.72 1vlr n GLN 313 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1vlr s ARG 314 N -2.45 3.54 -0.11 -1.09 1.81 0.05 -3.88 118.95 116.82 1vlr s ARG 314 Ca -0.19 0.87 -0.24 0.00 -1.72 0.00 0.00 55.73 54.45 1vlr s ARG 314 Cb 0.07 -2.07 -0.03 0.00 -0.45 0.00 0.00 34.95 32.46 1vlr s ARG 314 CO 0.64 -0.61 0.73 0.99 -0.68 0.00 0.00 175.30 176.37 1vlr s THR 315 N -2.97 5.00 -0.07 0.02 2.01 -1.26 -3.84 115.64 114.52 1vlr s THR 315 Ca 0.57 1.46 0.01 0.00 0.31 0.00 0.00 61.69 64.04 1vlr s THR 315 Cb -0.12 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 1vlr s THR 315 CO 0.48 0.17 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.74 1vlr s LEU 316 N 1.31 3.13 -0.16 4.42 1.43 -0.58 -4.90 118.68 123.34 1vlr s LEU 316 Ca 0.37 -0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1vlr s LEU 316 Cb -0.17 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1vlr s LEU 316 CO 0.16 0.35 -0.05 -0.89 0.23 0.00 0.00 176.35 176.14 1vlr s THR 317 N -0.70 3.76 0.26 5.49 2.01 -1.26 -0.32 115.64 124.87 1vlr s THR 317 Ca 0.11 -0.40 -0.13 0.00 0.31 0.00 0.00 61.69 61.57 1vlr s THR 317 Cb -0.11 -2.64 -0.00 0.00 0.01 0.00 0.00 72.50 69.75 1vlr s THR 317 CO 0.02 0.49 0.51 0.72 -0.69 0.00 0.00 174.62 175.66 1vlr s PHE 318 N 0.42 0.34 0.04 4.92 -0.12 -0.50 -4.59 117.98 118.51 1vlr s PHE 318 Ca -0.05 -0.72 0.04 0.00 -0.05 0.00 0.00 56.93 56.16 1vlr s PHE 318 Cb -0.14 0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 1vlr s PHE 318 CO 0.03 -1.04 -0.04 0.00 -0.05 0.00 0.00 175.22 174.13 1vlr s ALA 319 N -3.92 3.13 0.03 1.99 0.00 -1.26 -0.13 121.76 121.60 1vlr s ALA 319 Ca 0.22 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1vlr s ALA 319 Cb -0.01 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 1vlr s ALA 319 CO 0.09 0.65 -0.06 -0.51 0.00 0.00 0.00 175.76 175.93 1vlr s LEU 320 N -1.83 2.19 0.60 0.00 1.43 0.19 -4.85 118.68 116.41 1vlr s LEU 320 Ca 0.21 -0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 52.69 1vlr s LEU 320 Cb -0.11 -0.13 -0.03 0.00 0.03 0.00 0.00 46.19 45.95 1vlr s LEU 320 CO 0.12 -0.16 1.25 -0.13 0.23 0.00 0.00 176.35 177.67 1vlr s ARG 321 N -1.21 2.88 0.57 1.70 0.52 -1.26 -0.47 118.95 121.68 1vlr s ARG 321 Ca -0.08 1.96 0.37 0.00 -0.52 0.00 0.00 55.73 57.45 1vlr s ARG 321 Cb -0.08 -1.96 1.72 0.00 0.52 0.00 0.00 34.95 35.15 1vlr s ARG 321 CO 0.00 -1.31 2.10 1.79 0.02 0.00 0.00 175.30 177.90 1vlr h THR 322 N 0.88 0.00 -0.63 0.02 1.35 -1.51 -0.19 112.91 112.83 1vlr h THR 322 Ca -0.51 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1vlr h THR 322 Cb 1.31 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1vlr h THR 322 CO 0.55 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.92 1vlr n ASP 323 N -3.01 4.79 -4.64 5.36 5.68 -1.26 -4.88 116.55 118.58 1vlr n ASP 323 Ca -0.01 -2.49 -0.41 0.00 -0.50 0.00 0.00 54.79 51.39 1vlr n ASP 323 Cb 0.21 -0.59 -0.06 0.00 -1.14 0.00 0.00 41.12 39.55 1vlr n ASP 323 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1vlr s ASP 324 N -0.86 6.69 0.51 -1.12 -1.08 -0.09 -4.93 116.67 115.79 1vlr s ASP 324 Ca 0.51 0.85 0.25 0.00 -0.52 0.00 0.00 52.55 53.64 1vlr s ASP 324 Cb 0.33 -2.37 1.35 0.00 -1.46 0.00 0.00 42.92 40.77 1vlr s ASP 324 CO 0.23 -0.40 1.94 -0.65 0.52 0.00 0.00 175.17 176.81 1vlr h PRO 325 N 7.74 0.09 -0.43 4.34 0.11 -1.90 -0.49 132.00 141.46 1vlr h PRO 325 Ca -0.26 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.78 1vlr h PRO 325 Cb 1.12 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1vlr h PRO 325 CO 0.81 0.06 0.03 1.25 -0.21 0.00 0.00 178.00 179.94 1vlr h LEU 326 N 0.09 0.64 -0.50 2.35 5.85 -1.94 -2.54 115.31 119.26 1vlr h LEU 326 Ca 0.33 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.94 1vlr h LEU 326 Cb 1.20 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1vlr h LEU 326 CO -0.03 0.69 0.31 0.25 -0.34 0.00 0.00 178.44 179.32 1vlr h LEU 327 N 0.65 0.52 -0.78 2.25 5.85 -1.38 -0.90 115.31 121.52 1vlr h LEU 327 Ca 0.14 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 1vlr h LEU 327 Cb 0.36 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1vlr h LEU 327 CO 0.01 0.37 -0.27 1.56 -0.34 0.00 0.00 178.44 179.77 1vlr h GLN 328 N 0.63 0.63 -0.10 1.25 7.50 -1.57 0.82 115.11 124.27 1vlr h GLN 328 Ca 0.20 -0.26 0.00 0.00 0.50 0.00 0.00 58.65 59.09 1vlr h GLN 328 Cb -0.01 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.49 1vlr h GLN 328 CO -0.07 0.83 0.06 -0.07 -1.50 0.00 0.00 178.83 178.08 1vlr h LEU 329 N 0.55 0.12 -0.14 1.46 3.38 -1.10 0.12 115.31 119.69 1vlr h LEU 329 Ca 0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1vlr h LEU 329 Cb 0.74 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1vlr h LEU 329 CO 0.06 0.10 0.05 -0.07 0.09 0.00 0.00 178.44 178.67 1vlr h LEU 330 N 0.12 0.20 -0.57 1.67 3.38 -1.01 -1.54 115.31 117.57 1vlr h LEU 330 Ca 0.04 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1vlr h LEU 330 Cb 0.00 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1vlr h LEU 330 CO -0.01 0.33 0.31 1.56 0.09 0.00 0.00 178.44 180.73 1vlr h GLN 331 N 0.06 0.58 -0.33 1.13 4.20 -0.70 -0.35 115.11 119.69 1vlr h GLN 331 Ca 0.05 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.74 1vlr h GLN 331 Cb 0.20 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1vlr h GLN 331 CO -0.00 0.38 0.19 0.87 -0.67 0.00 0.00 178.83 179.59 1vlr h LYS 332 N 0.59 0.37 -0.62 1.46 1.57 -0.67 -0.18 116.57 119.09 1vlr h LYS 332 Ca 0.25 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.06 1vlr h LYS 332 Cb 0.13 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 1vlr h LYS 332 CO -0.15 0.24 0.34 0.00 -0.57 0.00 0.00 179.45 179.31 1vlr h ALA 333 N 1.15 0.82 -0.37 3.86 0.00 -0.95 -1.38 119.26 122.39 1vlr h ALA 333 Ca 0.13 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1vlr h ALA 333 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1vlr h ALA 333 CO -0.06 0.01 -0.23 1.96 0.00 0.00 0.00 179.25 180.92 1vlr h GLN 334 N 0.63 0.75 -0.85 0.00 4.20 -0.68 -2.74 115.11 116.42 1vlr h GLN 334 Ca 0.28 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1vlr h GLN 334 Cb 0.17 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 1vlr h GLN 334 CO -0.18 0.91 0.48 1.96 -0.67 0.00 0.00 178.83 181.33 1vlr h GLN 335 N 0.65 1.17 -0.10 1.46 1.08 -0.65 -3.01 115.11 115.72 1vlr h GLN 335 Ca 0.09 -0.13 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1vlr h GLN 335 Cb 0.73 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1vlr h GLN 335 CO 0.06 0.85 -0.08 0.93 -0.95 0.00 0.00 178.83 179.64 1vlr h GLU 336 N 1.17 0.15 -0.02 1.46 5.08 -0.96 -3.51 114.58 117.95 1vlr h GLU 336 Ca 0.30 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1vlr h GLU 336 Cb 0.01 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1vlr h GLU 336 CO -0.05 0.24 0.00 2.89 -1.00 0.00 0.00 179.01 181.09