#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v94 s LEU -1 N 0.00 4.14 0.00 5.98 1.43 -1.26 -5.33 118.68 123.64 2v94 s LEU -1 Ca 0.00 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 2v94 s LEU -1 Cb 0.00 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.17 2v94 s LEU -1 CO 0.00 0.22 0.00 -0.62 0.23 0.00 0.00 176.35 176.18 2v94 n GLU 0 N 3.21 2.06 -3.61 1.70 -0.58 -1.26 -5.04 120.64 117.13 2v94 n GLU 0 Ca -0.17 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.58 2v94 n GLU 0 Cb 0.53 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.34 2v94 n GLU 0 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2v94 s GLU 2 N 4.69 0.19 -0.18 3.49 2.12 -0.30 -4.55 118.70 124.15 2v94 s GLU 2 Ca 0.00 0.34 -0.10 0.00 0.36 0.00 0.00 54.97 55.57 2v94 s GLU 2 Cb 0.00 0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.40 2v94 s GLU 2 CO 0.00 -0.04 0.15 0.42 -0.54 0.00 0.00 175.26 175.25 2v94 s ILE 3 N 1.29 5.41 -0.27 -3.70 1.01 -1.26 -0.77 121.20 122.92 2v94 s ILE 3 Ca -0.08 0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 2v94 s ILE 3 Cb -0.03 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.99 2v94 s ILE 3 CO -0.12 0.47 -0.02 -0.75 0.00 0.00 0.00 174.94 174.52 2v94 s LYS 4 N 0.08 2.85 -0.12 2.79 2.20 0.79 -4.97 119.74 123.36 2v94 s LYS 4 Ca 0.10 -0.98 -0.29 0.00 -0.36 0.00 0.00 55.97 54.44 2v94 s LYS 4 Cb -0.11 -3.11 -0.03 0.00 -1.51 0.00 0.00 37.83 33.07 2v94 s LYS 4 CO -0.00 -0.44 1.31 0.42 -0.36 0.00 0.00 175.35 176.29 2v94 s ILE 5 N 1.36 4.15 -0.17 5.43 -1.09 -1.26 0.14 121.20 129.76 2v94 s ILE 5 Ca 0.00 1.41 0.17 0.00 -2.23 0.00 0.00 60.65 60.00 2v94 s ILE 5 Cb -0.17 -3.91 -0.25 0.00 -1.58 0.00 0.00 42.46 36.55 2v94 s ILE 5 CO -0.02 -0.10 0.18 0.35 -1.23 0.00 0.00 174.94 174.13 2v94 n THR 6 N 5.21 1.41 -3.64 2.92 -2.24 -0.20 -4.94 114.28 112.81 2v94 n THR 6 Ca 0.14 -0.84 -0.10 0.00 -2.27 0.00 0.00 64.05 60.98 2v94 n THR 6 Cb 0.45 -0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.52 0.65 -0.06 -0.78 2.12 -0.98 -4.99 118.70 112.13 2v94 s GLU 7 Ca -0.09 0.86 0.03 0.00 0.36 0.00 0.00 54.97 56.13 2v94 s GLU 7 Cb 0.06 0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.74 2v94 s GLU 7 CO 0.83 -0.09 -0.13 0.08 -0.54 0.00 0.00 175.26 175.41 2v94 s VAL 8 N 0.65 1.19 -0.10 3.70 1.01 -1.26 -0.57 120.40 125.02 2v94 s VAL 8 Ca -0.02 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2v94 s VAL 8 Cb -0.05 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 2v94 s VAL 8 CO -0.07 0.36 -0.18 -0.54 0.00 0.00 0.00 175.10 174.67 2v94 s LYS 9 N 0.57 3.07 -0.44 2.72 -0.14 0.39 -4.95 119.74 120.95 2v94 s LYS 9 Ca -0.13 -0.78 -0.22 0.00 -1.36 0.00 0.00 55.97 53.48 2v94 s LYS 9 Cb -0.15 -2.44 0.02 0.00 -1.68 0.00 0.00 37.83 33.59 2v94 s LYS 9 CO 0.04 0.27 0.74 -1.21 -0.76 0.00 0.00 175.35 174.43 2v94 s GLU 10 N 0.15 3.38 -0.53 1.68 0.41 -1.26 -0.56 118.70 121.97 2v94 s GLU 10 Ca -0.10 -0.17 -0.18 0.00 -0.41 0.00 0.00 54.97 54.11 2v94 s GLU 10 Cb -0.16 -3.94 0.08 0.00 -1.78 0.00 0.00 34.13 28.34 2v94 s GLU 10 CO 0.06 -1.07 0.59 1.21 -0.49 0.00 0.00 175.26 175.56 2v94 s ASN 11 N 2.08 6.19 0.21 -0.19 3.84 0.14 -4.90 114.94 122.31 2v94 s ASN 11 Ca 0.28 -1.24 0.02 0.00 0.21 0.00 0.00 52.86 52.13 2v94 s ASN 11 Cb -0.13 -2.27 0.16 0.00 -0.55 0.00 0.00 41.25 38.46 2v94 s ASN 11 CO 0.21 -0.91 1.50 0.11 -2.79 0.00 0.00 177.10 175.22 2v94 h LYS 12 N 9.00 0.31 -0.17 0.43 1.79 -1.95 0.03 116.57 126.02 2v94 h LYS 12 Ca -0.29 -0.24 -0.18 0.00 -2.18 0.00 0.00 60.65 57.77 2v94 h LYS 12 Cb 1.10 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2v94 h LYS 12 CO 1.00 0.86 -0.63 -0.07 -1.08 0.00 0.00 179.45 179.53 2v94 h LEU 13 N 0.22 0.69 0.00 2.94 3.38 -1.96 -3.27 115.31 117.31 2v94 h LEU 13 Ca -0.01 -0.40 -0.28 0.00 0.09 0.00 0.00 57.88 57.27 2v94 h LEU 13 Cb 1.20 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 2v94 h LEU 13 CO 0.11 1.15 -1.88 -0.38 0.09 0.00 0.00 178.44 177.53 2v94 n ILE 14 N -3.93 1.41 -1.40 1.22 5.41 -1.24 -5.01 119.36 115.81 2v94 n ILE 14 Ca -0.04 -0.79 0.00 0.00 1.00 0.00 0.00 62.75 62.92 2v94 n ILE 14 Cb 0.66 -0.77 0.00 0.00 -0.71 0.00 0.00 39.64 38.82 2v94 n ILE 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2v94 n GLY 15 N 1.58 0.56 3.30 7.39 0.00 -0.07 -5.01 105.19 112.94 2v94 n GLY 15 Ca -0.20 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.71 0.95 -0.01 1.61 1.70 -0.81 -2.75 118.95 116.93 2v94 s ARG 16 Ca 0.00 -0.58 -0.14 0.00 -0.47 0.00 0.00 55.73 54.54 2v94 s ARG 16 Cb 0.00 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 2v94 s ARG 16 CO 0.00 -0.34 0.39 0.15 -1.08 0.00 0.00 175.30 174.42 2v94 s LYS 17 N -3.14 3.91 -0.30 3.89 1.02 0.95 0.23 119.74 126.29 2v94 s LYS 17 Ca -0.01 0.37 -0.03 0.00 0.02 0.00 0.00 55.97 56.32 2v94 s LYS 17 Cb 0.01 -3.23 0.04 0.00 -0.52 0.00 0.00 37.83 34.13 2v94 s LYS 17 CO -0.07 0.67 0.02 -1.21 -0.92 0.00 0.00 175.35 173.84 2v94 s GLU 18 N -0.98 2.59 -0.16 1.68 2.02 0.28 0.29 118.70 124.41 2v94 s GLU 18 Ca 0.23 -1.17 0.01 0.00 0.02 0.00 0.00 54.97 54.06 2v94 s GLU 18 Cb -0.16 -3.22 0.02 0.00 0.10 0.00 0.00 34.13 30.87 2v94 s GLU 18 CO 0.12 -0.58 -0.16 0.42 0.02 0.00 0.00 175.26 175.09 2v94 s ILE 19 N 1.32 1.71 -0.10 -1.63 1.01 0.10 -0.46 121.20 123.15 2v94 s ILE 19 Ca -0.03 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 2v94 s ILE 19 Cb -0.19 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 2v94 s ILE 19 CO -0.00 0.47 0.01 -0.31 0.00 0.00 0.00 174.94 175.11 2v94 s TYR 20 N 1.43 3.19 0.11 3.97 2.02 0.27 -0.66 117.35 127.68 2v94 s TYR 20 Ca 0.05 0.18 -0.15 0.00 -0.37 0.00 0.00 57.07 56.78 2v94 s TYR 20 Cb -0.13 -1.83 0.03 0.00 -0.40 0.00 0.00 41.96 39.62 2v94 s TYR 20 CO -0.11 0.44 0.35 -0.59 -1.57 0.00 0.00 175.55 174.07 2v94 s PHE 21 N -0.73 -0.13 -0.07 2.71 -0.12 -0.86 -1.03 117.98 117.75 2v94 s PHE 21 Ca 0.12 -0.20 -0.05 0.00 -0.05 0.00 0.00 56.93 56.75 2v94 s PHE 21 Cb -0.12 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.42 2v94 s PHE 21 CO 0.02 -0.66 0.13 -1.21 -0.05 0.00 0.00 175.22 173.45 2v94 s GLU 22 N -3.74 3.34 -0.18 1.99 2.02 0.12 -0.08 118.70 122.18 2v94 s GLU 22 Ca 0.03 -0.25 -0.02 0.00 0.02 0.00 0.00 54.97 54.75 2v94 s GLU 22 Cb 0.02 -3.08 -0.01 0.00 0.10 0.00 0.00 34.13 31.16 2v94 s GLU 22 CO -0.11 0.73 -0.10 0.42 0.02 0.00 0.00 175.26 176.21 2v94 s ILE 23 N -1.11 3.03 -0.27 -1.63 1.01 0.33 -0.15 121.20 122.42 2v94 s ILE 23 Ca 0.19 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 60.11 2v94 s ILE 23 Cb -0.12 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 2v94 s ILE 23 CO 0.09 0.48 0.14 -0.47 0.00 0.00 0.00 174.94 175.18 2v94 s TYR 24 N 0.99 3.16 -0.55 3.97 5.04 0.05 -0.38 117.35 129.64 2v94 s TYR 24 Ca -0.01 -0.12 0.07 0.00 -2.44 0.00 0.00 57.07 54.57 2v94 s TYR 24 Cb -0.15 -2.32 0.25 0.00 0.35 0.00 0.00 41.96 40.09 2v94 s TYR 24 CO -0.01 -0.25 0.68 -2.39 -1.34 0.00 0.00 175.55 172.24 2v94 n HIS 25 N 5.00 2.29 -1.80 4.97 1.44 0.44 -1.15 115.22 126.41 2v94 n HIS 25 Ca -0.15 -3.95 -0.41 0.00 -2.01 0.00 0.00 57.72 51.20 2v94 n HIS 25 Cb 0.52 -0.49 -0.00 0.00 0.12 0.00 0.00 29.99 30.14 2v94 n HIS 25 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 2v94 s PRO 26 N -2.06 4.10 -1.45 -1.40 0.04 -1.26 -2.30 135.00 130.67 2v94 s PRO 26 Ca 0.38 2.58 0.00 0.00 0.04 0.00 0.00 61.00 64.00 2v94 s PRO 26 Cb 0.16 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2v94 s PRO 26 CO -0.05 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.86 2v94 n GLY 27 N 0.45 0.53 3.10 0.56 0.00 -1.26 -4.84 105.19 103.73 2v94 n GLY 27 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.10 0.57 0.96 1.61 0.41 -0.97 -5.10 118.70 112.09 2v94 s GLU 28 Ca 0.00 -0.83 -0.12 0.00 -0.41 0.00 0.00 54.97 53.61 2v94 s GLU 28 Cb 0.00 0.22 0.17 0.00 -1.78 0.00 0.00 34.13 32.73 2v94 s GLU 28 CO 0.00 -0.14 1.10 -1.25 -0.49 0.00 0.00 175.26 174.48 2v94 s PRO 29 N -2.78 0.73 0.29 0.39 0.04 -1.26 -4.89 135.00 127.52 2v94 s PRO 29 Ca -0.04 0.58 -0.30 0.00 0.04 0.00 0.00 61.00 61.28 2v94 s PRO 29 Cb -0.00 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.64 2v94 s PRO 29 CO -0.05 -2.54 1.42 -2.37 0.04 0.00 0.00 177.00 173.49 2v94 n THR 30 N -4.05 1.31 -1.77 1.26 5.66 -1.26 -4.93 114.28 110.50 2v94 n THR 30 Ca 0.06 -0.33 -0.30 0.00 -3.05 0.00 0.00 64.05 60.43 2v94 n THR 30 Cb 0.57 -1.63 0.06 0.00 -1.55 0.00 0.00 70.33 67.78 2v94 n THR 30 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2v94 s PRO 31 N -0.92 2.66 0.83 1.09 0.04 -1.26 -5.03 135.00 132.41 2v94 s PRO 31 Ca 0.63 0.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 2v94 s PRO 31 Cb -0.59 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.06 2v94 s PRO 31 CO 0.54 -1.19 1.13 -1.54 0.04 0.00 0.00 177.00 175.97 2v94 s SER 32 N -4.19 3.73 0.24 6.66 1.04 -1.26 -4.81 113.70 115.12 2v94 s SER 32 Ca 0.59 2.06 -0.06 0.00 0.48 0.00 0.00 55.95 59.02 2v94 s SER 32 Cb -0.12 -2.55 0.26 0.00 0.10 0.00 0.00 66.02 63.71 2v94 s SER 32 CO 0.53 -2.56 1.91 0.03 0.98 0.00 0.00 173.24 174.13 2v94 h ARG 33 N -1.36 1.23 -0.58 4.02 3.08 -1.95 -1.27 114.38 117.55 2v94 h ARG 33 Ca -0.44 -0.07 0.09 0.00 0.07 0.00 0.00 59.98 59.63 2v94 h ARG 33 Cb 1.26 -0.28 -0.07 0.00 0.08 0.00 0.00 29.97 30.96 2v94 h ARG 33 CO 0.46 0.81 0.20 -0.22 -1.07 0.00 0.00 179.97 180.16 2v94 h LYS 34 N 1.26 0.36 -0.02 0.04 3.64 -1.92 0.75 116.57 120.69 2v94 h LYS 34 Ca 0.36 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.50 2v94 h LYS 34 Cb -0.09 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2v94 h LYS 34 CO -0.09 0.24 -0.90 -0.44 -2.27 0.00 0.00 179.45 175.98 2v94 h ASP 35 N 0.37 0.57 -0.21 4.20 3.32 -1.87 -2.26 116.42 120.55 2v94 h ASP 35 Ca 0.29 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 2v94 h ASP 35 Cb 0.36 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2v94 h ASP 35 CO -0.30 1.23 0.06 0.58 -1.72 0.00 0.00 179.24 179.09 2v94 h VAL 36 N 0.26 1.19 -0.78 -1.35 2.07 -1.06 -2.45 116.25 114.13 2v94 h VAL 36 Ca -0.07 -0.59 0.12 0.00 0.82 0.00 0.00 66.70 66.97 2v94 h VAL 36 Cb 1.53 1.19 -0.08 0.00 -1.52 0.00 0.00 31.29 32.41 2v94 h VAL 36 CO 0.16 0.19 0.39 0.50 0.02 0.00 0.00 177.57 178.83 2v94 h LYS 37 N 0.16 0.60 -0.47 1.57 3.64 -0.82 -1.79 116.57 119.47 2v94 h LYS 37 Ca 0.07 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2v94 h LYS 37 Cb 0.23 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2v94 h LYS 37 CO -0.00 0.40 0.31 0.78 -2.27 0.00 0.00 179.45 178.66 2v94 h GLY 38 N 0.62 0.66 1.03 5.01 0.00 -1.10 -1.05 103.07 108.23 2v94 h GLY 38 Ca 0.41 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.40 2v94 h GLY 38 CO -0.32 0.23 -0.11 0.50 0.00 0.00 0.00 176.54 176.84 2v94 h LYS 39 N 0.62 0.88 -0.24 4.80 6.56 -1.25 -1.53 116.57 126.41 2v94 h LYS 39 Ca 0.17 -0.34 -0.02 0.00 -1.06 0.00 0.00 60.65 59.41 2v94 h LYS 39 Cb -0.06 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.54 2v94 h LYS 39 CO -0.04 0.98 0.07 1.25 -2.06 0.00 0.00 179.45 179.65 2v94 h LEU 40 N 0.72 0.35 -0.58 2.94 5.85 -1.12 -2.99 115.31 120.48 2v94 h LEU 40 Ca 0.11 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2v94 h LEU 40 Cb 0.66 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2v94 h LEU 40 CO 0.05 0.46 0.36 0.58 -0.34 0.00 0.00 178.44 179.55 2v94 h VAL 41 N 0.22 1.17 0.00 1.05 2.07 -1.22 -0.42 116.25 119.12 2v94 h VAL 41 Ca 0.08 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2v94 h VAL 41 Cb 0.24 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2v94 h VAL 41 CO -0.00 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.76 2v94 n ALA 42 N -2.28 1.28 0.00 1.67 0.00 -0.58 -0.74 120.51 119.87 2v94 n ALA 42 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2v94 n ALA 42 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.29 0.00 -3.15 0.00 4.77 -0.17 -4.79 117.00 113.96 2v94 n LEU 44 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 2v94 n LEU 44 Cb 0.03 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 2v94 n LEU 44 CO 0.00 0.00 0.07 -0.67 -1.33 0.00 0.00 177.39 175.46 2v94 n ASP 45 N 0.00 -3.97 -4.71 -1.43 -0.08 0.08 -5.02 116.55 101.43 2v94 n ASP 45 Ca 0.00 -0.60 -0.28 0.00 -1.51 0.00 0.00 54.79 52.40 2v94 n ASP 45 Cb 0.00 -4.73 -0.07 0.00 2.34 0.00 0.00 41.12 38.66 2v94 n ASP 45 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2v94 s LEU 46 N -5.59 3.50 -0.08 -2.67 1.43 -0.23 -5.09 118.68 109.95 2v94 s LEU 46 Ca 0.19 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.78 2v94 s LEU 46 Cb -0.03 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 2v94 s LEU 46 CO 0.67 0.13 1.47 0.21 0.23 0.00 0.00 176.35 179.06 2v94 s ASN 47 N -2.64 6.79 0.56 2.29 3.84 -1.26 -4.80 114.94 119.72 2v94 s ASN 47 Ca 0.27 2.03 0.33 0.00 0.21 0.00 0.00 52.86 55.71 2v94 s ASN 47 Cb -0.11 -2.54 1.63 0.00 -0.55 0.00 0.00 41.25 39.68 2v94 s ASN 47 CO 0.19 -0.83 2.10 1.55 -2.79 0.00 0.00 177.10 177.33 2v94 h PRO 48 N 8.75 0.00 0.00 0.43 0.13 -1.94 -2.90 132.00 136.46 2v94 h PRO 48 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2v94 h PRO 48 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2v94 h PRO 48 CO 0.95 0.06 0.00 0.93 -0.23 0.00 0.00 178.00 179.71 2v94 h GLU 49 N 0.00 0.00 0.00 0.86 5.08 -2.00 -2.90 114.58 115.63 2v94 h GLU 49 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2v94 h GLU 49 Cb 0.34 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.48 2v94 h GLU 49 CO 0.01 0.00 -0.57 0.25 -1.00 0.00 0.00 179.01 177.69 2v94 n THR 50 N -2.99 1.27 -4.07 1.13 -2.24 -1.10 -4.92 114.28 101.36 2v94 n THR 50 Ca -0.01 -2.07 -0.35 0.00 -2.27 0.00 0.00 64.05 59.35 2v94 n THR 50 Cb 0.19 0.20 -0.13 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.88 3.72 -0.30 4.28 2.01 -1.10 -1.58 115.64 120.79 2v94 s THR 51 Ca 0.32 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.94 2v94 s THR 51 Cb 0.32 -2.68 0.09 0.00 0.01 0.00 0.00 72.50 70.24 2v94 s THR 51 CO -0.07 0.43 0.05 -0.69 -0.69 0.00 0.00 174.62 173.64 2v94 s VAL 52 N 1.12 1.53 0.07 3.82 1.01 0.91 -4.97 120.40 123.89 2v94 s VAL 52 Ca 0.02 -1.69 -0.31 0.00 0.00 0.00 0.00 61.98 60.00 2v94 s VAL 52 Cb -0.14 -2.06 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 2v94 s VAL 52 CO 0.01 -0.51 1.40 -0.63 0.00 0.00 0.00 175.10 175.37 2v94 s ILE 53 N 1.31 3.45 -0.21 2.22 1.01 -1.26 -0.14 121.20 127.58 2v94 s ILE 53 Ca 0.06 0.98 -0.20 0.00 0.00 0.00 0.00 60.65 61.50 2v94 s ILE 53 Cb -0.18 -3.63 -0.19 0.00 0.01 0.00 0.00 42.46 38.47 2v94 s ILE 53 CO -0.14 0.05 0.15 1.67 0.00 0.00 0.00 174.94 176.66 2v94 n GLN 54 N 4.50 0.58 -3.72 2.79 -0.06 0.66 -4.92 117.38 117.22 2v94 n GLN 54 Ca 0.12 0.52 -0.10 0.00 -2.00 0.00 0.00 57.00 55.54 2v94 n GLN 54 Cb 0.43 -1.71 -0.04 0.00 -4.06 0.00 0.00 30.24 24.85 2v94 n GLN 54 CO 0.00 0.00 0.00 1.52 -0.20 0.00 0.00 177.06 178.38 2v94 s TYR 55 N -2.39 -0.10 -0.15 3.69 -0.85 -1.05 -4.99 117.35 111.51 2v94 s TYR 55 Ca -0.30 -0.23 -0.04 0.00 -0.52 0.00 0.00 57.07 55.99 2v94 s TYR 55 Cb 0.07 0.30 0.05 0.00 0.38 0.00 0.00 41.96 42.77 2v94 s TYR 55 CO 0.59 -0.82 0.06 0.42 -1.52 0.00 0.00 175.55 174.28 2v94 s ILE 56 N -3.86 0.15 -0.05 -3.49 1.01 -1.26 -0.80 121.20 112.90 2v94 s ILE 56 Ca 0.08 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.40 2v94 s ILE 56 Cb 0.00 -0.66 -0.05 0.00 0.01 0.00 0.00 42.46 41.77 2v94 s ILE 56 CO -0.06 -0.14 0.38 -0.13 0.00 0.00 0.00 174.94 175.00 2v94 s ARG 57 N 2.04 4.01 0.37 2.79 1.81 0.58 -4.92 118.95 125.63 2v94 s ARG 57 Ca 0.02 0.33 0.07 0.00 -1.72 0.00 0.00 55.73 54.43 2v94 s ARG 57 Cb -0.15 -3.29 -0.07 0.00 -0.45 0.00 0.00 34.95 30.98 2v94 s ARG 57 CO -0.07 0.53 -0.01 -1.12 -0.68 0.00 0.00 175.30 173.95 2v94 s SER 58 N -0.53 3.50 -0.05 0.23 0.01 -1.26 -0.10 113.70 115.50 2v94 s SER 58 Ca 0.22 -1.32 -0.02 0.00 1.31 0.00 0.00 55.95 56.14 2v94 s SER 58 Cb -0.16 -0.32 0.04 0.00 0.21 0.00 0.00 66.02 65.79 2v94 s SER 58 CO 0.11 -0.42 0.09 -0.31 0.41 0.00 0.00 173.24 173.12 2v94 s TYR 59 N -2.82 -0.06 0.47 2.43 2.02 -1.26 -5.01 117.35 113.11 2v94 s TYR 59 Ca 0.34 0.33 0.12 0.00 -0.37 0.00 0.00 57.07 57.49 2v94 s TYR 59 Cb 0.08 -0.21 1.07 0.00 -0.40 0.00 0.00 41.96 42.49 2v94 s TYR 59 CO 0.17 -0.15 2.11 0.74 -1.57 0.00 0.00 175.55 176.84 2v94 h PHE 60 N 7.53 0.25 -0.00 2.71 0.04 -2.01 -2.47 116.94 122.99 2v94 h PHE 60 Ca -0.37 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.40 2v94 h PHE 60 Cb 1.13 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.19 2v94 h PHE 60 CO 0.47 0.16 -0.06 0.41 -0.60 0.00 0.00 178.31 178.69 2v94 n GLY 61 N -1.51 -0.89 3.53 -1.45 0.00 -1.26 -4.92 105.19 98.69 2v94 n GLY 61 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 2v94 n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2v94 s SER 62 N -2.32 -0.22 -0.11 1.61 1.04 -0.93 -5.04 113.70 107.73 2v94 s SER 62 Ca 0.34 -0.57 0.13 0.00 0.48 0.00 0.00 55.95 56.33 2v94 s SER 62 Cb 0.21 0.57 0.56 0.00 0.10 0.00 0.00 66.02 67.46 2v94 s SER 62 CO 0.43 -1.06 1.41 -1.22 0.98 0.00 0.00 173.24 173.79 2v94 n TYR 63 N -0.34 1.26 -4.39 5.02 4.01 -1.26 -4.49 117.16 116.97 2v94 n TYR 63 Ca -0.09 -0.48 -0.34 0.00 -0.16 0.00 0.00 57.90 56.84 2v94 n TYR 63 Cb 0.62 -0.27 -0.11 0.00 -0.31 0.00 0.00 39.34 39.28 2v94 n TYR 63 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2v94 s LYS 64 N -1.94 3.41 0.30 -0.72 1.02 -1.26 -0.42 119.74 120.13 2v94 s LYS 64 Ca 0.39 -0.48 0.11 0.00 0.02 0.00 0.00 55.97 56.01 2v94 s LYS 64 Cb 0.27 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.65 2v94 s LYS 64 CO 0.16 0.42 -0.15 -1.12 -0.92 0.00 0.00 175.35 173.74 2v94 s SER 65 N -0.11 3.71 -0.08 2.83 0.01 0.49 -4.29 113.70 116.27 2v94 s SER 65 Ca 0.03 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.24 2v94 s SER 65 Cb -0.13 -0.35 0.02 0.00 0.21 0.00 0.00 66.02 65.77 2v94 s SER 65 CO 0.02 -0.05 -0.06 -0.54 0.41 0.00 0.00 173.24 173.02 2v94 s LYS 66 N -3.56 1.21 0.26 12.44 1.02 0.85 -0.51 119.74 131.44 2v94 s LYS 66 Ca 0.31 -0.18 0.10 0.00 0.02 0.00 0.00 55.97 56.22 2v94 s LYS 66 Cb -0.03 -1.23 -0.05 0.00 -0.52 0.00 0.00 37.83 36.00 2v94 s LYS 66 CO 0.16 -0.16 -0.16 0.20 -0.92 0.00 0.00 175.35 174.47 2v94 s GLY 67 N 1.31 1.74 -0.05 -3.33 0.00 0.88 -0.31 107.32 107.57 2v94 s GLY 67 Ca -0.04 -1.82 0.01 0.00 0.00 0.00 0.00 44.72 42.88 2v94 s GLY 67 CO -0.03 -1.89 -0.07 -0.47 0.00 0.00 0.00 173.10 170.65 2v94 s TYR 68 N -2.73 0.96 0.06 1.90 5.04 0.02 -2.03 117.35 120.57 2v94 s TYR 68 Ca 0.27 -0.30 0.04 0.00 -2.44 0.00 0.00 57.07 54.64 2v94 s TYR 68 Cb -0.02 -0.78 -0.03 0.00 0.35 0.00 0.00 41.96 41.48 2v94 s TYR 68 CO 0.12 -0.21 -0.12 0.00 -1.34 0.00 0.00 175.55 173.99 2v94 s ALA 69 N 0.82 0.99 -0.09 3.97 0.00 0.17 -0.24 121.76 127.38 2v94 s ALA 69 Ca -0.12 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 50.92 2v94 s ALA 69 Cb -0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 2v94 s ALA 69 CO 0.01 0.11 -0.10 0.15 0.00 0.00 0.00 175.76 175.93 2v94 s LYS 70 N -1.68 2.94 -0.19 0.00 1.02 0.80 -0.72 119.74 121.91 2v94 s LYS 70 Ca -0.04 -0.62 -0.02 0.00 0.02 0.00 0.00 55.97 55.30 2v94 s LYS 70 Cb -0.10 -2.57 -0.01 0.00 -0.52 0.00 0.00 37.83 34.63 2v94 s LYS 70 CO 0.02 0.49 -0.08 -0.47 -0.92 0.00 0.00 175.35 174.39 2v94 s TYR 71 N -0.36 2.91 -0.19 3.18 5.04 0.14 -0.06 117.35 128.00 2v94 s TYR 71 Ca 0.04 -0.94 -0.17 0.00 -2.44 0.00 0.00 57.07 53.57 2v94 s TYR 71 Cb -0.12 -2.02 -0.04 0.00 0.35 0.00 0.00 41.96 40.13 2v94 s TYR 71 CO 0.02 -0.49 0.44 0.71 -1.34 0.00 0.00 175.55 174.90 2v94 s TYR 72 N 1.17 3.39 0.44 4.97 2.02 -0.61 -0.04 117.35 128.68 2v94 s TYR 72 Ca 0.02 0.69 0.13 0.00 -0.37 0.00 0.00 57.07 57.54 2v94 s TYR 72 Cb -0.14 -2.57 0.96 0.00 -0.40 0.00 0.00 41.96 39.80 2v94 s TYR 72 CO -0.02 -0.02 1.98 1.88 -1.57 0.00 0.00 175.55 177.79 2v94 h TYR 73 N 7.34 0.05 -3.29 2.71 0.05 -1.85 -3.43 116.97 118.56 2v94 h TYR 73 Ca -0.36 -0.00 -0.59 0.00 0.05 0.00 0.00 58.73 57.83 2v94 h TYR 73 Cb 1.16 -0.02 -0.34 0.00 1.01 0.00 0.00 36.73 38.54 2v94 h TYR 73 CO 0.68 0.22 -0.84 0.34 -1.05 0.00 0.00 178.16 177.51 2v94 s ASP 74 N -6.98 2.46 0.23 3.88 -1.08 -1.26 -5.04 116.67 108.88 2v94 s ASP 74 Ca -0.04 -0.44 -0.06 0.00 -0.52 0.00 0.00 52.55 51.49 2v94 s ASP 74 Cb 0.16 -1.11 0.36 0.00 -1.46 0.00 0.00 42.92 40.87 2v94 s ASP 74 CO 0.70 0.03 1.77 0.50 0.52 0.00 0.00 175.17 178.70 2v94 h LYS 75 N 7.30 0.55 -0.07 4.34 3.64 -1.96 -2.80 116.57 127.57 2v94 h LYS 75 Ca -0.30 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 58.92 2v94 h LYS 75 Cb 1.18 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2v94 h LYS 75 CO 0.49 0.37 -0.53 -0.44 -2.27 0.00 0.00 179.45 177.07 2v94 h ASP 76 N 0.57 0.21 0.00 4.20 3.32 -1.99 -2.01 116.42 120.72 2v94 h ASP 76 Ca 0.37 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2v94 h ASP 76 Cb 0.43 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2v94 h ASP 76 CO -0.30 0.70 0.00 -1.14 -1.72 0.00 0.00 179.24 176.78 2v94 n ARG 77 N -3.93 0.12 0.00 3.56 3.00 -1.06 -1.97 116.66 116.38 2v94 n ARG 77 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 2v94 n ARG 77 Cb 0.56 -1.39 0.00 0.00 0.00 0.00 0.00 32.46 31.62 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 0.88 0.00 0.13 6.15 4.77 -0.76 -2.04 117.00 126.13 2v94 n LEU 79 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2v94 n LEU 79 Cb 0.05 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.33 2v94 n LEU 79 CO 0.00 0.00 0.53 1.88 -1.33 0.00 0.00 177.39 178.47 2v94 h TYR 80 N 0.00 0.06 0.02 -1.77 0.05 -1.68 -3.38 116.97 110.27 2v94 h TYR 80 Ca 0.00 -0.02 -0.37 0.00 0.05 0.00 0.00 58.73 58.39 2v94 h TYR 80 Cb 0.00 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 37.68 2v94 h TYR 80 CO 0.00 0.61 -2.06 -0.89 -1.05 0.00 0.00 178.16 174.77 2v94 n ILE 81 N -3.87 1.56 -2.82 -2.88 2.08 -0.87 -4.95 119.36 107.63 2v94 n ILE 81 Ca -0.01 -0.34 -0.41 0.00 0.56 0.00 0.00 62.75 62.54 2v94 n ILE 81 Cb 0.58 -1.84 -0.04 0.00 -0.75 0.00 0.00 39.64 37.59 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 -2.47 4.53 0.35 0.38 0.41 -1.26 -5.02 118.70 115.61 2v94 s GLU 82 Ca -0.33 1.25 -0.28 0.00 -0.41 0.00 0.00 54.97 55.20 2v94 s GLU 82 Cb 0.10 -3.45 -0.12 0.00 -1.78 0.00 0.00 34.13 28.89 2v94 s GLU 82 CO 0.58 0.01 1.45 -2.30 -0.49 0.00 0.00 175.26 174.50 2v94 n PRO 83 N 3.76 2.50 -0.12 0.39 -0.02 -1.26 -4.81 135.00 135.45 2v94 n PRO 83 Ca 0.03 0.88 0.14 0.00 -2.02 0.00 0.00 63.50 62.53 2v94 n PRO 83 Cb 0.51 -2.57 0.51 0.00 -0.02 0.00 0.00 33.50 31.92 2v94 n PRO 83 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2v94 h GLU 84 N 3.16 0.39 -0.45 -0.52 3.07 -1.95 -2.01 114.58 116.27 2v94 h GLU 84 Ca -0.49 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.30 2v94 h GLU 84 Cb 1.25 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 29.05 2v94 h GLU 84 CO 0.66 0.26 0.06 0.10 -1.40 0.00 0.00 179.01 178.69 2v94 h TYR 85 N 0.41 0.73 -0.16 4.33 -0.00 -1.99 0.12 116.97 120.40 2v94 h TYR 85 Ca 0.32 -0.07 -0.15 0.00 0.00 0.00 0.00 58.73 58.83 2v94 h TYR 85 Cb 0.71 -0.21 0.00 0.00 0.00 0.00 0.00 36.73 37.23 2v94 h TYR 85 CO -0.00 0.65 -0.49 0.82 -0.00 0.00 0.00 178.16 179.15 2v94 h ILE 86 N 0.68 1.33 -0.73 -0.90 2.04 -1.75 -1.82 117.51 116.36 2v94 h ILE 86 Ca 0.15 -1.75 -0.06 0.00 1.00 0.00 0.00 64.86 64.20 2v94 h ILE 86 Cb 0.33 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 2v94 h ILE 86 CO 0.01 0.54 0.22 -0.07 0.00 0.00 0.00 178.15 178.85 2v94 h LEU 87 N 0.28 1.06 0.64 1.44 3.38 -1.28 -2.47 115.31 118.35 2v94 h LEU 87 Ca -0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2v94 h LEU 87 Cb 1.11 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.59 2v94 h LEU 87 CO 0.10 0.99 -0.31 0.40 0.09 0.00 0.00 178.44 179.72 2v94 h ILE 88 N 1.08 0.00 -1.73 1.22 1.08 -0.79 0.16 117.51 118.53 2v94 h ILE 88 Ca 0.23 -0.20 0.50 0.00 -0.39 0.00 0.00 64.86 65.01 2v94 h ILE 88 Cb 0.31 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 33.99 2v94 h ILE 88 CO -0.01 0.00 1.33 -1.14 -0.69 0.00 0.00 178.15 177.64 2v94 n ARG 89 N -4.86 0.00 -0.43 2.37 0.63 -0.69 -0.59 116.66 113.10 2v94 n ARG 89 Ca -0.11 1.02 0.09 0.00 -0.92 0.00 0.00 57.85 57.93 2v94 n ARG 89 Cb 0.34 -2.38 0.29 0.00 0.45 0.00 0.00 32.46 31.16 2v94 n ARG 89 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2v94 n ASP 90 N -3.71 4.04 0.00 6.15 8.00 -0.93 -4.93 116.55 125.17 2v94 n ASP 90 Ca 0.39 -2.28 0.00 0.00 0.71 0.00 0.00 54.79 53.61 2v94 n ASP 90 Cb 1.85 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 42.48 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 0.95 0.84 3.90 0.44 0.00 0.25 -4.96 105.19 106.61 2v94 n GLY 91 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 2v94 n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2v94 s ILE 92 N -3.40 3.99 0.00 -0.61 -1.09 0.55 -5.00 121.20 115.64 2v94 s ILE 92 Ca 0.00 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 2v94 s ILE 92 Cb 0.00 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 2v94 s ILE 92 CO 0.00 -0.65 0.00 0.00 -1.23 0.00 0.00 174.94 173.06