#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v94 s ILE 3 N 0.00 3.76 -0.33 -3.67 1.01 -1.26 -0.09 121.20 120.62 2v94 s ILE 3 Ca 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.21 2v94 s ILE 3 Cb 0.00 -2.71 0.03 0.00 0.01 0.00 0.00 42.46 39.79 2v94 s ILE 3 CO 0.00 0.42 0.10 -0.75 0.00 0.00 0.00 174.94 174.71 2v94 s LYS 4 N 1.22 2.80 0.11 2.79 2.20 0.50 -4.95 119.74 124.41 2v94 s LYS 4 Ca 0.03 -1.06 -0.31 0.00 -0.36 0.00 0.00 55.97 54.27 2v94 s LYS 4 Cb -0.15 -3.45 -0.09 0.00 -1.51 0.00 0.00 37.83 32.63 2v94 s LYS 4 CO 0.00 -0.59 1.66 0.42 -0.36 0.00 0.00 175.35 176.48 2v94 s ILE 5 N 1.45 2.83 -0.08 5.43 1.01 -1.26 -0.03 121.20 130.54 2v94 s ILE 5 Ca 0.00 0.40 0.13 0.00 0.00 0.00 0.00 60.65 61.18 2v94 s ILE 5 Cb -0.19 -3.26 -0.19 0.00 0.01 0.00 0.00 42.46 38.84 2v94 s ILE 5 CO 0.03 0.01 0.16 0.35 0.00 0.00 0.00 174.94 175.49 2v94 n THR 6 N 4.50 0.51 -3.64 2.92 -2.24 0.40 -4.92 114.28 111.82 2v94 n THR 6 Ca 0.16 -0.45 -0.07 0.00 -2.27 0.00 0.00 64.05 61.41 2v94 n THR 6 Cb 0.39 -0.30 -0.07 0.00 -2.10 0.00 0.00 70.33 68.26 2v94 n THR 6 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2v94 s GLU 7 N -2.60 0.57 -0.09 -0.78 2.12 -0.92 -5.00 118.70 112.00 2v94 s GLU 7 Ca -0.06 0.85 0.02 0.00 0.36 0.00 0.00 54.97 56.14 2v94 s GLU 7 Cb 0.06 0.18 0.01 0.00 0.26 0.00 0.00 34.13 34.65 2v94 s GLU 7 CO 0.56 -0.10 -0.15 0.08 -0.54 0.00 0.00 175.26 175.11 2v94 s VAL 8 N 1.01 1.39 -0.11 3.70 1.01 -1.26 -0.14 120.40 126.00 2v94 s VAL 8 Ca -0.05 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2v94 s VAL 8 Cb -0.05 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.07 2v94 s VAL 8 CO -0.12 0.42 -0.23 -0.54 0.00 0.00 0.00 175.10 174.63 2v94 s LYS 9 N 0.84 2.94 -0.44 2.72 1.02 -0.43 -4.98 119.74 121.41 2v94 s LYS 9 Ca -0.10 -0.84 -0.27 0.00 0.02 0.00 0.00 55.97 54.78 2v94 s LYS 9 Cb -0.15 -2.27 0.03 0.00 -0.52 0.00 0.00 37.83 34.91 2v94 s LYS 9 CO 0.01 0.11 1.03 -1.21 -0.92 0.00 0.00 175.35 174.37 2v94 s GLU 10 N 0.50 3.71 -0.82 1.68 0.41 -1.26 -1.13 118.70 121.78 2v94 s GLU 10 Ca -0.15 0.47 -0.20 0.00 -0.41 0.00 0.00 54.97 54.68 2v94 s GLU 10 Cb -0.17 -3.88 0.10 0.00 -1.78 0.00 0.00 34.13 28.40 2v94 s GLU 10 CO 0.06 -1.22 1.07 1.21 -0.49 0.00 0.00 175.26 175.88 2v94 s ASN 11 N 2.24 6.43 0.46 -0.19 3.84 0.85 -4.87 114.94 123.70 2v94 s ASN 11 Ca 0.43 -1.59 0.29 0.00 0.21 0.00 0.00 52.86 52.19 2v94 s ASN 11 Cb -0.09 -2.41 0.94 0.00 -0.55 0.00 0.00 41.25 39.14 2v94 s ASN 11 CO 0.27 -1.23 1.82 0.11 -2.79 0.00 0.00 177.10 175.27 2v94 h LYS 12 N 9.18 0.00 -0.01 0.43 1.57 -1.94 0.29 116.57 126.08 2v94 h LYS 12 Ca -0.02 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 2v94 h LYS 12 Cb 1.04 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.36 2v94 h LYS 12 CO 1.15 0.00 -0.28 1.25 -0.57 0.00 0.00 179.45 181.01 2v94 h LEU 13 N 0.00 0.27 0.05 2.94 6.46 -1.95 -3.27 115.31 119.81 2v94 h LEU 13 Ca 0.00 -0.74 -0.26 0.00 -0.12 0.00 0.00 57.88 56.76 2v94 h LEU 13 Cb 0.68 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 2v94 h LEU 13 CO 0.00 0.97 -1.28 0.40 -0.62 0.00 0.00 178.44 177.91 2v94 h ILE 14 N -0.41 1.41 -1.81 4.05 2.04 -1.99 -3.49 117.51 117.31 2v94 h ILE 14 Ca -0.03 -3.10 0.00 0.00 1.00 0.00 0.00 64.86 62.73 2v94 h ILE 14 Cb 1.00 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 2v94 h ILE 14 CO 0.06 0.84 0.00 0.61 0.00 0.00 0.00 178.15 179.66 2v94 n GLY 15 N 1.49 0.60 3.34 5.37 0.00 0.98 -5.07 105.19 111.90 2v94 n GLY 15 Ca -0.08 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 2v94 n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2v94 s ARG 16 N -2.86 1.11 -0.15 1.61 1.70 -0.82 -3.83 118.95 115.71 2v94 s ARG 16 Ca 0.00 -0.77 -0.15 0.00 -0.47 0.00 0.00 55.73 54.34 2v94 s ARG 16 Cb 0.00 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 2v94 s ARG 16 CO 0.00 -0.44 0.35 0.15 -1.08 0.00 0.00 175.30 174.28 2v94 s LYS 17 N -3.83 4.28 -0.33 3.89 1.02 0.82 -0.10 119.74 125.49 2v94 s LYS 17 Ca 0.05 0.20 -0.10 0.00 0.02 0.00 0.00 55.97 56.14 2v94 s LYS 17 Cb 0.02 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 2v94 s LYS 17 CO -0.10 0.19 0.16 -1.21 -0.92 0.00 0.00 175.35 173.48 2v94 s GLU 18 N 0.58 3.16 -0.23 1.68 2.02 -0.29 -0.77 118.70 124.86 2v94 s GLU 18 Ca 0.19 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.35 2v94 s GLU 18 Cb -0.14 -3.60 0.03 0.00 0.10 0.00 0.00 34.13 30.53 2v94 s GLU 18 CO 0.06 -0.50 -0.12 0.42 0.02 0.00 0.00 175.26 175.13 2v94 s ILE 19 N 1.58 2.38 -0.11 -1.63 1.01 0.36 -1.31 121.20 123.47 2v94 s ILE 19 Ca 0.04 -1.18 -0.06 0.00 0.00 0.00 0.00 60.65 59.45 2v94 s ILE 19 Cb -0.18 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 2v94 s ILE 19 CO 0.06 0.25 0.10 -0.31 0.00 0.00 0.00 174.94 175.04 2v94 s TYR 20 N 1.24 3.47 0.10 3.97 2.02 0.80 -1.06 117.35 127.89 2v94 s TYR 20 Ca -0.01 0.42 -0.19 0.00 -0.37 0.00 0.00 57.07 56.92 2v94 s TYR 20 Cb -0.16 -1.91 0.05 0.00 -0.40 0.00 0.00 41.96 39.53 2v94 s TYR 20 CO -0.08 0.64 0.47 -0.59 -1.57 0.00 0.00 175.55 174.42 2v94 s PHE 21 N -0.91 -0.33 0.02 2.71 -0.12 -1.02 -0.45 117.98 117.87 2v94 s PHE 21 Ca 0.14 0.17 0.02 0.00 -0.05 0.00 0.00 56.93 57.21 2v94 s PHE 21 Cb -0.12 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 2v94 s PHE 21 CO 0.03 -0.70 0.01 -1.21 -0.05 0.00 0.00 175.22 173.30 2v94 s GLU 22 N -3.29 2.76 -0.16 1.99 2.02 0.96 -0.37 118.70 122.61 2v94 s GLU 22 Ca -0.01 -0.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.32 2v94 s GLU 22 Cb 0.00 -2.66 -0.01 0.00 0.10 0.00 0.00 34.13 31.57 2v94 s GLU 22 CO -0.08 0.61 -0.11 0.42 0.02 0.00 0.00 175.26 176.11 2v94 s ILE 23 N -1.15 3.05 -0.16 -1.63 1.01 0.92 -0.37 121.20 122.86 2v94 s ILE 23 Ca 0.21 -0.64 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 2v94 s ILE 23 Cb -0.12 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 2v94 s ILE 23 CO 0.13 0.50 -0.05 -0.31 0.00 0.00 0.00 174.94 175.21 2v94 s TYR 24 N 0.73 2.99 -0.42 3.97 2.02 0.87 -1.12 117.35 126.38 2v94 s TYR 24 Ca -0.05 -0.41 0.08 0.00 -0.37 0.00 0.00 57.07 56.33 2v94 s TYR 24 Cb -0.15 -1.96 0.31 0.00 -0.40 0.00 0.00 41.96 39.76 2v94 s TYR 24 CO 0.02 -0.11 0.88 -2.39 -1.57 0.00 0.00 175.55 172.37 2v94 n HIS 25 N 3.68 -1.54 -1.74 2.71 1.44 -1.01 -1.38 115.22 117.38 2v94 n HIS 25 Ca -0.17 -2.86 -0.42 0.00 -2.01 0.00 0.00 57.72 52.25 2v94 n HIS 25 Cb 0.52 0.65 -0.01 0.00 0.12 0.00 0.00 29.99 31.27 2v94 n HIS 25 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2v94 n PRO 26 N 0.63 2.48 -1.00 -1.40 -0.04 -1.26 -2.40 135.00 132.02 2v94 n PRO 26 Ca 0.15 0.87 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 2v94 n PRO 26 Cb 0.66 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 2v94 n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2v94 n GLY 27 N 0.93 0.38 3.18 0.55 0.00 -1.26 -5.00 105.19 103.97 2v94 n GLY 27 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 2v94 n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2v94 s GLU 28 N -0.53 1.01 0.78 1.61 2.02 -1.01 -5.15 118.70 117.44 2v94 s GLU 28 Ca 0.00 -1.49 -0.11 0.00 0.02 0.00 0.00 54.97 53.39 2v94 s GLU 28 Cb 0.00 0.10 0.06 0.00 0.10 0.00 0.00 34.13 34.39 2v94 s GLU 28 CO 0.00 -0.24 1.08 -1.25 0.02 0.00 0.00 175.26 174.88 2v94 s PRO 29 N -4.02 2.20 0.31 0.39 0.04 -1.26 -4.94 135.00 127.72 2v94 s PRO 29 Ca 0.25 0.84 -0.29 0.00 0.04 0.00 0.00 61.00 61.84 2v94 s PRO 29 Cb 0.07 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 2v94 s PRO 29 CO 0.03 -1.59 1.28 0.95 0.04 0.00 0.00 177.00 177.72 2v94 s THR 30 N -3.05 2.84 0.70 1.26 -4.23 -1.26 -4.96 115.64 106.93 2v94 s THR 30 Ca 0.60 0.83 -0.17 0.00 -1.18 0.00 0.00 61.69 61.78 2v94 s THR 30 Cb -0.15 -3.53 0.02 0.00 1.34 0.00 0.00 72.50 70.18 2v94 s THR 30 CO 0.55 0.19 1.26 -2.84 -0.54 0.00 0.00 174.62 173.25 2v94 s PRO 31 N -1.61 2.28 0.90 3.99 0.02 -1.26 -5.02 135.00 134.31 2v94 s PRO 31 Ca 0.49 1.95 -0.10 0.00 0.02 0.00 0.00 61.00 63.36 2v94 s PRO 31 Cb -0.39 -1.83 0.14 0.00 0.02 0.00 0.00 34.50 32.44 2v94 s PRO 31 CO 0.50 -1.78 1.13 -1.54 -0.33 0.00 0.00 177.00 174.99 2v94 s SER 32 N -1.65 3.10 0.34 2.53 1.04 -1.26 -4.77 113.70 113.02 2v94 s SER 32 Ca 0.79 2.07 0.04 0.00 0.48 0.00 0.00 55.95 59.34 2v94 s SER 32 Cb -0.34 -2.54 0.67 0.00 0.10 0.00 0.00 66.02 63.91 2v94 s SER 32 CO 0.43 -2.97 1.92 0.03 0.98 0.00 0.00 173.24 173.63 2v94 h ARG 33 N -1.78 0.83 -0.40 4.02 3.08 -1.97 -1.06 114.38 117.10 2v94 h ARG 33 Ca -0.44 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.51 2v94 h ARG 33 Cb 1.27 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 2v94 h ARG 33 CO 0.44 0.55 0.06 -0.22 -1.07 0.00 0.00 179.97 179.73 2v94 h LYS 34 N 0.85 0.66 -0.24 0.04 3.64 -1.94 0.54 116.57 120.12 2v94 h LYS 34 Ca 0.37 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 2v94 h LYS 34 Cb 0.33 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2v94 h LYS 34 CO -0.14 0.71 -0.12 -0.44 -2.27 0.00 0.00 179.45 177.18 2v94 h ASP 35 N 0.51 0.53 -0.64 4.20 3.32 -1.82 -1.47 116.42 121.05 2v94 h ASP 35 Ca 0.12 -0.41 0.02 0.00 0.02 0.00 0.00 57.03 56.78 2v94 h ASP 35 Cb 0.37 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 2v94 h ASP 35 CO 0.01 0.83 0.41 0.58 -1.72 0.00 0.00 179.24 179.34 2v94 h VAL 36 N 0.24 1.12 -0.21 -1.35 2.07 -1.19 -2.20 116.25 114.73 2v94 h VAL 36 Ca 0.05 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2v94 h VAL 36 Cb 0.63 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2v94 h VAL 36 CO 0.04 0.15 0.08 0.50 0.02 0.00 0.00 177.57 178.35 2v94 h LYS 37 N 0.81 0.33 -0.16 1.57 3.64 -0.83 -1.40 116.57 120.53 2v94 h LYS 37 Ca 0.25 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2v94 h LYS 37 Cb -0.03 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2v94 h LYS 37 CO -0.08 0.39 0.01 0.78 -2.27 0.00 0.00 179.45 178.29 2v94 h GLY 38 N 0.19 0.24 0.85 5.01 0.00 -1.00 -1.26 103.07 107.09 2v94 h GLY 38 Ca 0.07 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 2v94 h GLY 38 CO -0.00 0.11 -0.31 1.70 0.00 0.00 0.00 176.54 178.04 2v94 h LYS 39 N 0.22 0.52 -0.45 4.80 1.63 -1.27 -2.16 116.57 119.86 2v94 h LYS 39 Ca 0.05 -0.32 -0.07 0.00 -0.85 0.00 0.00 60.65 59.46 2v94 h LYS 39 Cb 0.14 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 2v94 h LYS 39 CO 0.00 0.93 0.00 1.25 -3.45 0.00 0.00 179.45 178.18 2v94 h LEU 40 N 0.16 0.78 -0.29 5.20 5.85 -0.90 -3.13 115.31 122.98 2v94 h LEU 40 Ca 0.01 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 2v94 h LEU 40 Cb 0.89 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2v94 h LEU 40 CO 0.07 0.90 0.08 0.58 -0.34 0.00 0.00 178.44 179.73 2v94 h VAL 41 N 0.65 1.21 0.00 1.05 2.07 -1.30 -1.10 116.25 118.83 2v94 h VAL 41 Ca 0.13 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2v94 h VAL 41 Cb 0.50 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2v94 h VAL 41 CO 0.02 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.84 2v94 n ALA 42 N -2.30 1.43 0.00 1.67 0.00 -0.81 -0.75 120.51 119.75 2v94 n ALA 42 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2v94 n ALA 42 Cb 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2v94 n ALA 42 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2v94 n LEU 44 N 0.59 0.00 -3.36 0.00 4.77 -0.41 -4.86 117.00 113.72 2v94 n LEU 44 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 2v94 n LEU 44 Cb 0.06 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.24 2v94 n LEU 44 CO 0.00 0.00 0.13 -0.67 -1.33 0.00 0.00 177.39 175.52 2v94 n ASP 45 N 0.00 -2.65 -4.92 -1.43 2.03 0.07 -5.00 116.55 104.66 2v94 n ASP 45 Ca 0.00 -0.59 -0.31 0.00 0.52 0.00 0.00 54.79 54.41 2v94 n ASP 45 Cb 0.00 -4.95 -0.04 0.00 -0.72 0.00 0.00 41.12 35.41 2v94 n ASP 45 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2v94 s LEU 46 N -6.33 4.36 -0.14 -2.67 1.43 -0.84 -5.05 118.68 109.44 2v94 s LEU 46 Ca 0.08 0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 53.18 2v94 s LEU 46 Cb -0.04 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 2v94 s LEU 46 CO 0.70 0.18 1.64 0.21 0.23 0.00 0.00 176.35 179.31 2v94 s ASN 47 N -2.40 6.52 0.50 2.29 2.47 -1.26 -4.83 114.94 118.23 2v94 s ASN 47 Ca 0.34 1.94 0.22 0.00 0.42 0.00 0.00 52.86 55.78 2v94 s ASN 47 Cb -0.13 -2.53 1.30 0.00 -1.45 0.00 0.00 41.25 38.44 2v94 s ASN 47 CO 0.26 -1.09 2.06 1.55 -3.72 0.00 0.00 177.10 176.16 2v94 h PRO 48 N 10.16 0.00 0.00 0.43 0.13 -1.95 -2.61 132.00 138.17 2v94 h PRO 48 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2v94 h PRO 48 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2v94 h PRO 48 CO 0.97 0.14 0.00 0.93 -0.23 0.00 0.00 178.00 179.81 2v94 h GLU 49 N 0.00 0.00 0.00 0.86 5.08 -1.97 -2.63 114.58 115.92 2v94 h GLU 49 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2v94 h GLU 49 Cb 0.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2v94 h GLU 49 CO 0.02 0.00 -0.32 0.25 -1.00 0.00 0.00 179.01 177.95 2v94 n THR 50 N -2.84 1.77 -3.91 1.13 -2.24 -0.99 -4.98 114.28 102.21 2v94 n THR 50 Ca 0.01 -2.45 -0.35 0.00 -2.27 0.00 0.00 64.05 58.98 2v94 n THR 50 Cb 0.26 -0.10 -0.13 0.00 -2.10 0.00 0.00 70.33 68.25 2v94 n THR 50 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2v94 s THR 51 N -2.64 3.74 -0.22 4.28 2.01 -0.99 -1.41 115.64 120.41 2v94 s THR 51 Ca 0.33 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.97 2v94 s THR 51 Cb 0.31 -2.71 0.04 0.00 0.01 0.00 0.00 72.50 70.14 2v94 s THR 51 CO -0.03 0.40 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.47 2v94 s VAL 52 N 1.40 2.23 -0.23 3.82 1.01 0.89 -4.96 120.40 124.56 2v94 s VAL 52 Ca 0.05 -1.24 -0.29 0.00 0.00 0.00 0.00 61.98 60.49 2v94 s VAL 52 Cb -0.15 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.11 2v94 s VAL 52 CO -0.00 0.25 1.18 -0.63 0.00 0.00 0.00 175.10 175.90 2v94 s ILE 53 N 1.22 4.40 -0.14 2.22 1.01 -1.26 0.10 121.20 128.74 2v94 s ILE 53 Ca -0.02 1.67 -0.21 0.00 0.00 0.00 0.00 60.65 62.09 2v94 s ILE 53 Cb -0.16 -4.17 -0.19 0.00 0.01 0.00 0.00 42.46 37.94 2v94 s ILE 53 CO -0.08 -0.26 0.48 -0.61 0.00 0.00 0.00 174.94 174.47 2v94 h GLN 54 N 8.17 0.00 -3.40 2.79 5.75 -0.25 -3.48 115.11 124.69 2v94 h GLN 54 Ca -0.23 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.19 2v94 h GLN 54 Cb 1.08 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 29.48 2v94 h GLN 54 CO 0.99 0.76 -0.20 1.52 -2.65 0.00 0.00 178.83 179.25 2v94 s TYR 55 N -2.12 -0.10 -0.15 3.99 -0.85 -1.07 -4.99 117.35 112.06 2v94 s TYR 55 Ca -0.17 -0.14 -0.01 0.00 -0.52 0.00 0.00 57.07 56.23 2v94 s TYR 55 Cb -0.01 0.13 0.04 0.00 0.38 0.00 0.00 41.96 42.50 2v94 s TYR 55 CO 0.52 -0.58 -0.03 0.42 -1.52 0.00 0.00 175.55 174.36 2v94 s ILE 56 N -3.18 0.91 0.19 -3.49 1.01 -1.26 -1.22 121.20 114.16 2v94 s ILE 56 Ca -0.01 -0.47 0.10 0.00 0.00 0.00 0.00 60.65 60.27 2v94 s ILE 56 Cb 0.01 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 2v94 s ILE 56 CO -0.07 0.13 -0.15 -0.13 0.00 0.00 0.00 174.94 174.72 2v94 s ARG 57 N 1.72 1.86 0.25 2.79 0.52 0.18 -4.94 118.95 121.34 2v94 s ARG 57 Ca 0.02 -1.38 -0.25 0.00 -0.52 0.00 0.00 55.73 53.60 2v94 s ARG 57 Cb -0.15 -2.04 -0.09 0.00 0.52 0.00 0.00 34.95 33.20 2v94 s ARG 57 CO -0.07 0.42 0.85 0.45 0.02 0.00 0.00 175.30 176.96 2v94 s SER 58 N -2.82 7.33 -0.46 0.23 0.15 -1.26 -1.39 113.70 115.48 2v94 s SER 58 Ca 0.24 1.71 0.00 0.00 0.70 0.00 0.00 55.95 58.60 2v94 s SER 58 Cb -0.08 -2.53 0.12 0.00 -1.71 0.00 0.00 66.02 61.82 2v94 s SER 58 CO 0.13 0.06 0.23 -0.47 1.20 0.00 0.00 173.24 174.39 2v94 s TYR 59 N -1.42 3.52 -0.80 3.44 5.04 -1.20 -4.65 117.35 121.28 2v94 s TYR 59 Ca 0.44 -2.78 0.00 0.00 -2.44 0.00 0.00 57.07 52.28 2v94 s TYR 59 Cb -0.20 -3.07 0.00 0.00 0.35 0.00 0.00 41.96 39.04 2v94 s TYR 59 CO 0.25 -0.89 0.00 1.19 -1.34 0.00 0.00 175.55 174.76 2v94 n PHE 60 N 3.97 0.00 -2.47 4.97 3.72 -1.26 -2.34 117.46 124.05 2v94 n PHE 60 Ca 0.03 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.27 2v94 n PHE 60 Cb 0.39 -2.23 0.00 0.00 -0.94 0.00 0.00 39.48 36.71 2v94 n PHE 60 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2v94 n GLY 61 N -0.20 -0.26 0.55 1.37 0.00 -1.26 -5.01 105.19 100.38 2v94 n GLY 61 Ca -0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 2v94 n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2v94 n SER 62 N -1.14 0.21 0.00 1.61 3.41 -0.99 -4.98 113.62 111.75 2v94 n SER 62 Ca -0.15 -1.17 0.09 0.00 -0.26 0.00 0.00 58.87 57.37 2v94 n SER 62 Cb 0.62 -0.08 0.47 0.00 -0.26 0.00 0.00 64.21 64.96 2v94 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2v94 n TYR 63 N -1.50 0.00 -4.73 7.33 0.18 -1.26 -4.69 117.16 112.49 2v94 n TYR 63 Ca 0.02 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.47 2v94 n TYR 63 Cb 0.08 -0.18 -0.14 0.00 -0.38 0.00 0.00 39.34 38.73 2v94 n TYR 63 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 2v94 s LYS 64 N -2.36 3.37 0.29 -3.48 2.20 -1.26 -2.40 119.74 116.10 2v94 s LYS 64 Ca 0.20 -0.66 0.08 0.00 -0.36 0.00 0.00 55.97 55.24 2v94 s LYS 64 Cb 0.12 -2.66 -0.06 0.00 -1.51 0.00 0.00 37.83 33.72 2v94 s LYS 64 CO 0.24 0.25 -0.10 -1.12 -0.36 0.00 0.00 175.35 174.27 2v94 s SER 65 N 0.27 3.10 -0.00 1.43 0.01 -0.28 -3.24 113.70 114.99 2v94 s SER 65 Ca -0.08 -1.15 0.08 0.00 1.31 0.00 0.00 55.95 56.11 2v94 s SER 65 Cb -0.15 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.83 2v94 s SER 65 CO 0.05 -0.23 -0.25 -0.54 0.41 0.00 0.00 173.24 172.68 2v94 s LYS 66 N -3.66 1.92 0.23 12.44 1.02 -0.49 -0.05 119.74 131.15 2v94 s LYS 66 Ca 0.29 -0.94 0.08 0.00 0.02 0.00 0.00 55.97 55.42 2v94 s LYS 66 Cb 0.02 -1.92 -0.05 0.00 -0.52 0.00 0.00 37.83 35.36 2v94 s LYS 66 CO 0.13 0.52 -0.12 0.20 -0.92 0.00 0.00 175.35 175.15 2v94 s GLY 67 N -0.76 1.56 -0.03 -3.33 0.00 0.50 0.51 107.32 105.76 2v94 s GLY 67 Ca 0.10 -1.74 -0.01 0.00 0.00 0.00 0.00 44.72 43.07 2v94 s GLY 67 CO -0.00 -1.79 0.02 -0.47 0.00 0.00 0.00 173.10 170.86 2v94 s TYR 68 N -2.96 0.21 0.08 1.90 5.04 -0.36 -2.44 117.35 118.82 2v94 s TYR 68 Ca 0.25 0.09 0.07 0.00 -2.44 0.00 0.00 57.07 55.03 2v94 s TYR 68 Cb 0.00 -0.42 -0.03 0.00 0.35 0.00 0.00 41.96 41.86 2v94 s TYR 68 CO 0.09 -0.15 -0.18 0.00 -1.34 0.00 0.00 175.55 173.96 2v94 s ALA 69 N 1.43 1.56 -0.08 3.97 0.00 -0.22 0.55 121.76 128.97 2v94 s ALA 69 Ca -0.04 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.83 2v94 s ALA 69 Cb -0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 2v94 s ALA 69 CO -0.03 0.30 -0.16 0.15 0.00 0.00 0.00 175.76 176.02 2v94 s LYS 70 N -1.70 2.83 -0.23 0.00 1.02 0.12 -0.49 119.74 121.29 2v94 s LYS 70 Ca 0.04 -0.74 -0.04 0.00 0.02 0.00 0.00 55.97 55.25 2v94 s LYS 70 Cb -0.10 -2.42 -0.00 0.00 -0.52 0.00 0.00 37.83 34.79 2v94 s LYS 70 CO 0.03 0.42 -0.03 -0.47 -0.92 0.00 0.00 175.35 174.39 2v94 s TYR 71 N -0.22 2.99 -0.06 3.18 5.04 0.05 -0.08 117.35 128.26 2v94 s TYR 71 Ca -0.00 -0.97 -0.15 0.00 -2.44 0.00 0.00 57.07 53.51 2v94 s TYR 71 Cb -0.13 -2.12 -0.05 0.00 0.35 0.00 0.00 41.96 40.01 2v94 s TYR 71 CO 0.03 -0.56 0.39 0.71 -1.34 0.00 0.00 175.55 174.78 2v94 s TYR 72 N 1.47 3.63 0.03 4.97 2.02 -0.50 -0.13 117.35 128.84 2v94 s TYR 72 Ca 0.05 0.88 0.17 0.00 -0.37 0.00 0.00 57.07 57.80 2v94 s TYR 72 Cb -0.15 -2.34 0.41 0.00 -0.40 0.00 0.00 41.96 39.48 2v94 s TYR 72 CO -0.03 0.47 1.60 1.88 -1.57 0.00 0.00 175.55 177.91 2v94 h TYR 73 N 5.53 0.00 -3.35 2.71 0.05 -1.88 -3.44 116.97 116.58 2v94 h TYR 73 Ca -0.47 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 57.84 2v94 h TYR 73 Cb 1.20 0.00 -0.35 0.00 1.01 0.00 0.00 36.73 38.59 2v94 h TYR 73 CO 0.67 0.44 -0.79 0.34 -1.05 0.00 0.00 178.16 177.78 2v94 s ASP 74 N -6.44 1.50 0.31 3.88 2.15 -1.26 -5.03 116.67 111.78 2v94 s ASP 74 Ca 0.02 -0.19 0.06 0.00 0.43 0.00 0.00 52.55 52.86 2v94 s ASP 74 Cb 0.09 -0.61 0.72 0.00 -0.30 0.00 0.00 42.92 42.83 2v94 s ASP 74 CO 0.71 -0.08 1.80 0.50 -0.17 0.00 0.00 175.17 177.93 2v94 h LYS 75 N 7.56 0.77 -0.61 4.34 3.64 -1.95 -2.29 116.57 128.04 2v94 h LYS 75 Ca -0.31 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 2v94 h LYS 75 Cb 1.15 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 2v94 h LYS 75 CO 0.42 0.51 0.27 -0.44 -2.27 0.00 0.00 179.45 177.94 2v94 h ASP 76 N 0.80 0.79 0.00 4.20 3.32 -2.00 -0.62 116.42 122.91 2v94 h ASP 76 Ca 0.55 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.51 2v94 h ASP 76 Cb 0.82 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2v94 h ASP 76 CO -0.34 0.69 0.00 -1.14 -1.72 0.00 0.00 179.24 176.74 2v94 n ARG 77 N -4.34 0.25 0.00 3.56 3.00 -0.86 -2.21 116.66 116.07 2v94 n ARG 77 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 2v94 n ARG 77 Cb 0.15 -1.25 0.00 0.00 0.00 0.00 0.00 32.46 31.36 2v94 n ARG 77 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2v94 n LEU 79 N 0.63 0.00 0.10 6.15 4.77 -0.24 -1.38 117.00 127.02 2v94 n LEU 79 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 2v94 n LEU 79 Cb 0.10 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.04 2v94 n LEU 79 CO 0.00 0.00 -0.26 0.22 -1.33 0.00 0.00 177.39 176.02 2v94 h TYR 80 N 0.00 0.66 0.10 -1.77 3.20 -1.72 -3.40 116.97 114.05 2v94 h TYR 80 Ca 0.00 -0.48 -0.35 0.00 3.14 0.00 0.00 58.73 61.03 2v94 h TYR 80 Cb 0.00 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 2v94 h TYR 80 CO 0.00 1.46 -1.97 -0.89 -1.64 0.00 0.00 178.16 175.12 2v94 n ILE 81 N -3.57 1.74 -3.63 1.81 2.08 -0.48 -4.93 119.36 112.38 2v94 n ILE 81 Ca -0.16 -0.68 -0.38 0.00 0.56 0.00 0.00 62.75 62.10 2v94 n ILE 81 Cb 1.06 -1.60 -0.06 0.00 -0.75 0.00 0.00 39.64 38.30 2v94 n ILE 81 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2v94 s GLU 82 N -2.56 3.75 0.57 0.38 0.41 -1.26 -5.05 118.70 114.93 2v94 s GLU 82 Ca -0.20 0.22 -0.17 0.00 -0.41 0.00 0.00 54.97 54.41 2v94 s GLU 82 Cb 0.07 -3.21 -0.05 0.00 -1.78 0.00 0.00 34.13 29.16 2v94 s GLU 82 CO 0.77 0.72 1.07 -1.25 -0.49 0.00 0.00 175.26 176.09 2v94 s PRO 83 N -1.06 3.38 0.27 0.39 0.04 -1.26 -4.80 135.00 131.96 2v94 s PRO 83 Ca 0.21 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2v94 s PRO 83 Cb -0.15 -2.03 0.53 0.00 0.04 0.00 0.00 34.50 32.89 2v94 s PRO 83 CO 0.10 -0.78 1.82 0.93 0.04 0.00 0.00 177.00 179.11 2v94 h GLU 84 N 0.81 0.88 -0.24 4.56 5.08 -1.96 -2.10 114.58 121.60 2v94 h GLU 84 Ca -0.48 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 57.77 2v94 h GLU 84 Cb 1.23 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2v94 h GLU 84 CO 0.57 0.58 -0.09 0.10 -1.00 0.00 0.00 179.01 179.17 2v94 h TYR 85 N 0.90 0.41 -0.20 4.33 -0.00 -1.99 -0.18 116.97 120.24 2v94 h TYR 85 Ca 0.48 -0.05 -0.19 0.00 0.00 0.00 0.00 58.73 58.97 2v94 h TYR 85 Cb 0.50 -0.11 0.01 0.00 0.00 0.00 0.00 36.73 37.12 2v94 h TYR 85 CO -0.02 0.48 -0.61 0.82 -0.00 0.00 0.00 178.16 178.83 2v94 h ILE 86 N 0.37 1.29 -0.11 -0.90 2.04 -1.77 -0.49 117.51 117.94 2v94 h ILE 86 Ca 0.07 -1.81 -0.13 0.00 1.00 0.00 0.00 64.86 63.99 2v94 h ILE 86 Cb 0.40 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2v94 h ILE 86 CO 0.02 0.58 -0.51 -0.07 0.00 0.00 0.00 178.15 178.16 2v94 h LEU 87 N 0.50 0.32 0.04 1.44 3.38 -0.99 -1.54 115.31 118.46 2v94 h LEU 87 Ca -0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2v94 h LEU 87 Cb 1.23 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2v94 h LEU 87 CO 0.13 0.78 -0.02 0.40 0.09 0.00 0.00 178.44 179.82 2v94 h ILE 88 N 0.23 1.36 -0.91 1.22 2.04 -1.06 -0.30 117.51 120.10 2v94 h ILE 88 Ca 0.01 -1.65 0.15 0.00 1.00 0.00 0.00 64.86 64.37 2v94 h ILE 88 Cb 0.99 2.40 -0.07 0.00 -0.74 0.00 0.00 36.82 39.39 2v94 h ILE 88 CO 0.08 0.40 0.59 -0.09 0.00 0.00 0.00 178.15 179.12 2v94 h ARG 89 N -0.82 0.70 -0.12 2.37 2.43 -1.07 0.11 114.38 117.97 2v94 h ARG 89 Ca -0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2v94 h ARG 89 Cb 0.69 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2v94 h ARG 89 CO 0.01 0.46 0.00 -0.25 -1.51 0.00 0.00 179.97 178.68 2v94 n ASP 90 N -4.58 0.85 -0.75 -3.80 8.00 -0.58 -4.93 116.55 110.77 2v94 n ASP 90 Ca 0.18 -1.75 -0.10 0.00 0.71 0.00 0.00 54.79 53.84 2v94 n ASP 90 Cb 0.47 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.45 2v94 n ASP 90 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2v94 n GLY 91 N 0.88 1.11 0.09 0.44 0.00 0.37 -4.93 105.19 103.15 2v94 n GLY 91 Ca 0.11 -0.41 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 2v94 n GLY 91 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2v94 h ILE 92 N 0.00 1.43 -4.00 -0.61 2.04 -1.26 -3.47 117.51 111.65 2v94 h ILE 92 Ca -0.20 -2.33 -0.69 0.00 1.00 0.00 0.00 64.86 62.64 2v94 h ILE 92 Cb 0.73 2.97 -0.23 0.00 -0.74 0.00 0.00 36.82 39.55 2v94 h ILE 92 CO 0.29 0.55 -0.78 -0.63 0.00 0.00 0.00 178.15 177.58 2v94 s ILE 93 N -2.31 2.99 -2.00 -0.67 -1.09 -1.08 -5.03 121.20 112.00 2v94 s ILE 93 Ca -0.21 -0.89 0.24 0.00 -2.23 0.00 0.00 60.65 57.56 2v94 s ILE 93 Cb 0.01 -2.21 0.68 0.00 -1.58 0.00 0.00 42.46 39.37 2v94 s ILE 93 CO 0.69 0.49 1.80 -0.62 -1.23 0.00 0.00 174.94 176.07