#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u94 h GLN 7 N 0.00 0.66 -0.66 1.64 4.20 -2.05 -2.82 115.11 116.07 1u94 h GLN 7 Ca 0.00 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.57 1u94 h GLN 7 Cb 0.00 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 1u94 h GLN 7 CO 0.00 0.66 0.43 0.87 -0.67 0.00 0.00 178.83 180.13 1u94 h LYS 8 N 0.53 0.85 -0.96 1.46 1.57 -2.05 -0.81 116.57 117.15 1u94 h LYS 8 Ca 0.13 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1u94 h LYS 8 Cb 0.30 -0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 1u94 h LYS 8 CO -0.00 0.56 0.63 0.00 -0.57 0.00 0.00 179.45 180.07 1u94 h ALA 9 N 1.25 1.41 -0.00 3.86 0.00 -1.96 -0.10 119.26 123.72 1u94 h ALA 9 Ca 0.25 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1u94 h ALA 9 Cb -0.07 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.39 1u94 h ALA 9 CO -0.07 0.48 -0.00 1.25 0.00 0.00 0.00 179.25 180.92 1u94 h LEU 10 N 1.18 0.00 -1.04 0.00 5.85 -1.20 -2.38 115.31 117.71 1u94 h LEU 10 Ca 0.39 -0.68 0.11 0.00 0.84 0.00 0.00 57.88 58.55 1u94 h LEU 10 Cb 0.07 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 1u94 h LEU 10 CO -0.13 0.68 0.63 0.00 -0.34 0.00 0.00 178.44 179.27 1u94 h ALA 11 N 0.32 1.54 -0.22 1.25 0.00 -0.96 0.27 119.26 121.46 1u94 h ALA 11 Ca -0.00 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1u94 h ALA 11 Cb 0.68 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1u94 h ALA 11 CO 0.00 0.23 -0.45 0.00 0.00 0.00 0.00 179.25 179.03 1u94 h ALA 12 N 1.54 0.81 -0.12 0.00 0.00 -1.06 -1.97 119.26 118.46 1u94 h ALA 12 Ca 0.48 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1u94 h ALA 12 Cb 0.46 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1u94 h ALA 12 CO -0.24 0.66 -0.04 0.00 0.00 0.00 0.00 179.25 179.62 1u94 h ALA 13 N 1.06 0.16 -0.32 0.00 0.00 -0.60 -2.56 119.26 117.00 1u94 h ALA 13 Ca 0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1u94 h ALA 13 Cb 0.96 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1u94 h ALA 13 CO 0.09 -0.08 0.03 -0.07 0.00 0.00 0.00 179.25 179.22 1u94 h LEU 14 N -0.10 0.44 -0.75 0.00 3.38 -1.02 -1.75 115.31 115.51 1u94 h LEU 14 Ca 0.03 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1u94 h LEU 14 Cb 0.48 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1u94 h LEU 14 CO 0.01 0.49 0.44 1.23 0.09 0.00 0.00 178.44 180.70 1u94 h GLY 15 N 0.76 1.10 1.12 0.83 0.00 -1.22 -0.63 103.07 105.02 1u94 h GLY 15 Ca 0.11 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1u94 h GLY 15 CO 0.00 0.45 0.33 1.46 0.00 0.00 0.00 176.54 178.79 1u94 h GLN 16 N 1.03 1.13 0.02 4.80 1.08 -0.92 0.72 115.11 122.96 1u94 h GLN 16 Ca 0.27 -0.18 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1u94 h GLN 16 Cb -0.01 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.22 1u94 h GLN 16 CO -0.05 0.90 -0.01 0.82 -0.95 0.00 0.00 178.83 179.54 1u94 h ILE 17 N 1.11 1.03 -0.20 2.54 1.08 -0.70 -0.88 117.51 121.48 1u94 h ILE 17 Ca 0.26 -0.15 -0.06 0.00 -0.39 0.00 0.00 64.86 64.51 1u94 h ILE 17 Cb 0.17 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 1u94 h ILE 17 CO -0.03 0.04 -0.16 -0.33 -0.69 0.00 0.00 178.15 176.99 1u94 h GLU 18 N -0.10 0.33 -0.45 2.37 5.08 -0.86 0.31 114.58 121.27 1u94 h GLU 18 Ca -0.00 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1u94 h GLU 18 Cb 0.09 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1u94 h GLU 18 CO 0.01 0.49 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.27 1u94 h LYS 19 N 0.31 0.81 0.13 2.33 3.64 -0.55 0.78 116.57 124.03 1u94 h LYS 19 Ca 0.06 -0.27 -0.25 0.00 -1.27 0.00 0.00 60.65 58.92 1u94 h LYS 19 Cb 0.47 -0.07 0.03 0.00 -0.41 0.00 0.00 32.23 32.25 1u94 h LYS 19 CO 0.03 0.88 -1.06 0.37 -2.27 0.00 0.00 179.45 177.39 1u94 h GLN 20 N 0.65 0.48 -0.00 1.90 4.15 -0.84 -3.38 115.11 118.07 1u94 h GLN 20 Ca 0.13 -0.70 0.00 0.00 0.77 0.00 0.00 58.65 58.85 1u94 h GLN 20 Cb 0.52 0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.45 1u94 h GLN 20 CO 0.03 1.31 -0.81 1.19 -1.93 0.00 0.00 178.83 178.62 1u94 n PHE 21 N -3.95 0.00 0.00 3.99 3.72 0.11 -5.10 117.46 116.23 1u94 n PHE 21 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1u94 n PHE 21 Cb 0.91 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 1u94 n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u94 n GLY 22 N 1.41 2.30 3.75 1.37 0.00 0.27 -4.78 105.19 109.50 1u94 n GLY 22 Ca 0.04 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 1u94 n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u94 s LYS 23 N -2.92 4.24 0.00 1.61 2.47 -1.25 -2.24 119.74 121.65 1u94 s LYS 23 Ca 0.00 2.36 0.00 0.00 -1.56 0.00 0.00 55.97 56.77 1u94 s LYS 23 Cb 0.00 -3.09 0.00 0.00 -1.46 0.00 0.00 37.83 33.28 1u94 s LYS 23 CO 0.00 -0.46 0.00 0.41 0.16 0.00 0.00 175.35 175.46 1u94 n GLY 24 N 2.16 0.75 0.21 5.54 0.00 -1.26 -4.91 105.19 107.67 1u94 n GLY 24 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 1u94 n GLY 24 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u94 h SER 25 N 0.00 0.00 -3.92 1.61 4.64 -1.75 -3.45 113.55 110.67 1u94 h SER 25 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u94 h SER 25 Cb 0.00 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 61.87 1u94 h SER 25 CO 0.00 0.28 0.26 -0.51 -0.87 0.00 0.00 176.83 175.99 1u94 s ILE 26 N -3.54 0.00 0.02 0.95 2.07 -1.26 -5.06 121.20 114.37 1u94 s ILE 26 Ca 0.01 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 58.97 1u94 s ILE 26 Cb 0.10 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.78 1u94 s ILE 26 CO 0.66 0.00 0.83 0.00 -1.91 0.00 0.00 174.94 174.52 1u94 s MET 27 N -0.01 0.90 0.12 3.50 0.23 -1.26 -4.98 119.30 117.80 1u94 s MET 27 Ca -0.01 -0.28 -0.30 0.00 -1.03 0.00 0.00 55.69 54.07 1u94 s MET 27 Cb -0.04 0.42 -0.06 0.00 -1.53 0.00 0.00 34.83 33.62 1u94 s MET 27 CO 0.00 -0.39 1.04 1.03 -2.03 0.00 0.00 175.02 174.68 1u94 s ARG 28 N -3.04 4.62 0.65 3.16 0.52 -1.26 -4.91 118.95 118.69 1u94 s ARG 28 Ca 0.03 1.58 0.38 0.00 -0.52 0.00 0.00 55.73 57.20 1u94 s ARG 28 Cb -0.01 -3.35 2.09 0.00 0.52 0.00 0.00 34.95 34.20 1u94 s ARG 28 CO -0.08 0.08 2.22 -0.07 0.02 0.00 0.00 175.30 177.46 1u94 h LEU 29 N 5.69 0.00 -1.85 2.53 3.38 -1.99 -1.71 115.31 121.37 1u94 h LEU 29 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1u94 h LEU 29 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1u94 h LEU 29 CO 0.73 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.87 1u94 n GLY 30 N -1.18 1.05 3.78 0.83 0.00 -1.26 -4.84 105.19 103.57 1u94 n GLY 30 Ca -0.02 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 1u94 n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u94 s GLU 31 N -1.78 3.85 -1.17 1.61 2.02 -0.64 -4.95 118.70 117.63 1u94 s GLU 31 Ca 0.34 1.64 -0.05 0.00 0.02 0.00 0.00 54.97 56.91 1u94 s GLU 31 Cb 0.21 -2.38 0.24 0.00 0.10 0.00 0.00 34.13 32.30 1u94 s GLU 31 CO 0.31 -0.44 1.79 -0.25 0.02 0.00 0.00 175.26 176.68 1u94 n ASP 32 N -0.49 6.35 -4.23 -0.19 8.00 -1.26 -4.81 116.55 119.93 1u94 n ASP 32 Ca 0.07 -3.32 -0.21 0.00 0.71 0.00 0.00 54.79 52.04 1u94 n ASP 32 Cb 0.49 -1.34 -0.12 0.00 -0.02 0.00 0.00 41.12 40.14 1u94 n ASP 32 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1u94 s ARG 33 N -1.78 0.96 0.03 -1.24 0.52 -1.24 -3.35 118.95 112.85 1u94 s ARG 33 Ca 0.38 -1.07 -0.27 0.00 -0.52 0.00 0.00 55.73 54.25 1u94 s ARG 33 Cb 0.10 -1.07 0.08 0.00 0.52 0.00 0.00 34.95 34.59 1u94 s ARG 33 CO 0.01 0.24 0.72 -1.54 0.02 0.00 0.00 175.30 174.76 1u94 s SER 34 N -1.88 -0.53 0.54 0.23 1.04 -1.19 -4.43 113.70 107.47 1u94 s SER 34 Ca 0.03 0.26 -0.17 0.00 0.48 0.00 0.00 55.95 56.54 1u94 s SER 34 Cb -0.10 0.51 -0.06 0.00 0.10 0.00 0.00 66.02 66.47 1u94 s SER 34 CO 0.03 -0.73 1.03 -0.04 0.98 0.00 0.00 173.24 174.51 1u94 s MET 35 N -2.59 3.65 -1.27 4.02 -1.94 0.20 -4.94 119.30 116.44 1u94 s MET 35 Ca -0.02 1.17 -0.11 0.00 -1.71 0.00 0.00 55.69 55.02 1u94 s MET 35 Cb -0.01 -2.08 0.16 0.00 2.01 0.00 0.00 34.83 34.91 1u94 s MET 35 CO -0.04 -0.53 1.77 -3.47 -0.01 0.00 0.00 175.02 172.74 1u94 n ASP 36 N -1.59 5.06 -4.60 3.03 4.64 -1.26 -4.95 116.55 116.87 1u94 n ASP 36 Ca 0.08 -3.06 -0.29 0.00 -1.38 0.00 0.00 54.79 50.14 1u94 n ASP 36 Cb 0.53 -1.52 -0.09 0.00 -1.04 0.00 0.00 41.12 39.00 1u94 n ASP 36 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1u94 s VAL 37 N 0.96 3.51 0.29 5.18 -7.23 -1.26 -5.10 120.40 116.75 1u94 s VAL 37 Ca 0.41 -1.25 -0.29 0.00 -1.81 0.00 0.00 61.98 59.05 1u94 s VAL 37 Cb 0.06 -2.66 -0.09 0.00 0.56 0.00 0.00 36.38 34.25 1u94 s VAL 37 CO 0.00 0.09 1.07 -0.70 -0.31 0.00 0.00 175.10 175.25 1u94 s GLU 38 N -2.31 4.61 0.23 4.82 2.12 -1.26 -4.93 118.70 121.98 1u94 s GLU 38 Ca 0.23 1.72 0.07 0.00 0.36 0.00 0.00 54.97 57.35 1u94 s GLU 38 Cb -0.11 -3.12 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 1u94 s GLU 38 CO 0.15 0.21 -0.11 0.95 -0.54 0.00 0.00 175.26 175.92 1u94 s THR 39 N -1.23 1.67 -0.07 -1.70 -4.23 -1.26 -1.17 115.64 107.65 1u94 s THR 39 Ca 0.46 -2.18 0.04 0.00 -1.18 0.00 0.00 61.69 58.83 1u94 s THR 39 Cb -0.30 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.36 1u94 s THR 39 CO 0.38 -0.49 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.16 1u94 s ILE 40 N -3.01 1.52 0.60 2.99 1.01 -0.20 -4.88 121.20 119.23 1u94 s ILE 40 Ca 0.25 -0.73 -0.19 0.00 0.00 0.00 0.00 60.65 59.98 1u94 s ILE 40 Cb 0.01 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 1u94 s ILE 40 CO 0.08 0.44 1.20 -0.55 0.00 0.00 0.00 174.94 176.12 1u94 s SER 41 N 0.34 5.18 0.00 3.58 0.15 -1.26 -0.47 113.70 121.21 1u94 s SER 41 Ca -0.12 2.37 0.25 0.00 0.70 0.00 0.00 55.95 59.16 1u94 s SER 41 Cb -0.15 -2.60 0.52 0.00 -1.71 0.00 0.00 66.02 62.08 1u94 s SER 41 CO 0.05 -1.60 1.42 0.35 1.20 0.00 0.00 173.24 174.65 1u94 n THR 42 N -1.63 0.00 -0.04 6.45 -2.24 -1.26 -4.40 114.28 111.16 1u94 n THR 42 Ca 0.13 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1u94 n THR 42 Cb 0.50 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1u94 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u94 n GLY 43 N 1.45 0.91 3.23 3.38 0.00 -1.26 -4.19 105.19 108.70 1u94 n GLY 43 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1u94 n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u94 s SER 44 N -2.67 3.63 0.13 1.61 0.15 -1.26 -4.66 113.70 110.62 1u94 s SER 44 Ca 0.00 -0.50 -0.14 0.00 0.70 0.00 0.00 55.95 56.00 1u94 s SER 44 Cb 0.00 -1.57 -0.01 0.00 -1.71 0.00 0.00 66.02 62.72 1u94 s SER 44 CO 0.00 0.04 1.58 0.25 1.20 0.00 0.00 173.24 176.31 1u94 h LEU 45 N 7.62 0.71 -1.09 3.45 5.85 -1.95 -0.71 115.31 129.19 1u94 h LEU 45 Ca -0.38 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 57.97 1u94 h LEU 45 Cb 1.17 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 1u94 h LEU 45 CO 0.59 0.84 -0.12 0.77 -0.34 0.00 0.00 178.44 180.19 1u94 h SER 46 N 0.56 0.49 -0.11 1.25 4.64 -1.92 -1.62 113.55 116.84 1u94 h SER 46 Ca 0.12 -0.12 -0.21 0.00 -0.47 0.00 0.00 61.79 61.10 1u94 h SER 46 Cb 0.47 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1u94 h SER 46 CO 0.02 0.64 -0.76 0.25 -0.87 0.00 0.00 176.83 176.11 1u94 h LEU 47 N 0.47 0.85 -1.23 5.97 5.85 -1.87 -0.53 115.31 124.83 1u94 h LEU 47 Ca 0.09 -0.66 0.08 0.00 0.84 0.00 0.00 57.88 58.23 1u94 h LEU 47 Cb 0.49 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 1u94 h LEU 47 CO 0.03 1.38 0.55 0.44 -0.34 0.00 0.00 178.44 180.50 1u94 h ASP 48 N 0.39 0.80 -0.20 1.25 3.32 -0.87 0.61 116.42 121.72 1u94 h ASP 48 Ca -0.07 0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.82 1u94 h ASP 48 Cb 1.40 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1u94 h ASP 48 CO 0.15 0.50 -0.57 0.40 -1.72 0.00 0.00 179.24 178.00 1u94 h ILE 49 N 0.90 1.30 -0.12 0.35 2.04 -1.17 -2.51 117.51 118.30 1u94 h ILE 49 Ca 0.38 -1.79 -0.00 0.00 1.00 0.00 0.00 64.86 64.45 1u94 h ILE 49 Cb 0.30 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1u94 h ILE 49 CO -0.15 0.56 0.06 0.00 0.00 0.00 0.00 178.15 178.62 1u94 h ALA 50 N 0.59 1.88 0.00 1.87 0.00 0.06 0.45 119.26 124.10 1u94 h ALA 50 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u94 h ALA 50 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1u94 h ALA 50 CO 0.12 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.76 1u94 n LEU 51 N -4.50 0.21 0.00 0.00 4.77 0.10 -4.55 117.00 113.02 1u94 n LEU 51 Ca -0.01 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1u94 n LEU 51 Cb 0.10 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1u94 n LEU 51 CO 0.35 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1u94 n GLY 52 N 0.58 1.15 0.09 -0.72 0.00 0.15 -4.48 105.19 101.95 1u94 n GLY 52 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1u94 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u94 n ALA 53 N 0.00 2.76 -0.42 4.61 0.00 -1.26 -1.22 120.51 124.97 1u94 n ALA 53 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1u94 n ALA 53 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1u94 n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u94 n GLY 54 N 1.32 0.76 0.00 0.00 0.00 -0.96 -4.92 105.19 101.39 1u94 n GLY 54 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1u94 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u94 n GLY 55 N -2.29 -1.91 3.76 -0.02 0.00 -1.25 -4.60 105.19 98.88 1u94 n GLY 55 Ca 0.00 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 1u94 n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u94 s LEU 56 N 0.00 4.63 -0.06 0.99 1.43 0.38 -4.70 118.68 121.35 1u94 s LEU 56 Ca 0.00 1.85 -0.30 0.00 -1.03 0.00 0.00 54.13 54.65 1u94 s LEU 56 Cb 0.00 -3.51 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 1u94 s LEU 56 CO 0.00 0.17 1.10 -2.16 0.23 0.00 0.00 176.35 175.70 1u94 s PRO 57 N -1.16 4.40 0.48 1.29 0.04 -1.26 -1.03 135.00 137.76 1u94 s PRO 57 Ca 0.39 1.54 -0.23 0.00 0.04 0.00 0.00 61.00 62.75 1u94 s PRO 57 Cb -0.25 -3.53 -0.07 0.00 0.04 0.00 0.00 34.50 30.69 1u94 s PRO 57 CO 0.30 -0.34 1.22 -1.64 0.04 0.00 0.00 177.00 176.58 1u94 s MET 58 N 1.94 3.63 0.00 4.56 -1.94 -0.32 -3.15 119.30 124.02 1u94 s MET 58 Ca 0.53 1.92 0.00 0.00 -1.71 0.00 0.00 55.69 56.43 1u94 s MET 58 Cb -0.22 -2.40 0.00 0.00 2.01 0.00 0.00 34.83 34.21 1u94 s MET 58 CO 0.21 -0.70 0.00 0.41 -0.01 0.00 0.00 175.02 174.93 1u94 n GLY 59 N 0.54 0.92 3.67 -0.03 0.00 -0.90 -4.78 105.19 104.60 1u94 n GLY 59 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1u94 n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u94 s ARG 60 N -0.04 2.05 -0.16 1.61 1.81 -1.19 -2.78 118.95 120.26 1u94 s ARG 60 Ca 0.00 -2.11 -0.07 0.00 -1.72 0.00 0.00 55.73 51.83 1u94 s ARG 60 Cb 0.00 -1.69 -0.04 0.00 -0.45 0.00 0.00 34.95 32.77 1u94 s ARG 60 CO 0.00 -0.13 0.07 0.42 -0.68 0.00 0.00 175.30 174.98 1u94 s ILE 61 N -2.72 4.90 -0.00 1.52 1.01 -1.26 -1.81 121.20 122.83 1u94 s ILE 61 Ca 0.31 -0.00 0.06 0.00 0.00 0.00 0.00 60.65 61.01 1u94 s ILE 61 Cb 0.07 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 1u94 s ILE 61 CO 0.16 0.51 -0.19 -0.69 0.00 0.00 0.00 174.94 174.74 1u94 s VAL 62 N -0.11 1.47 -0.11 2.92 1.01 -0.02 -0.22 120.40 125.33 1u94 s VAL 62 Ca 0.07 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1u94 s VAL 62 Cb -0.12 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1u94 s VAL 62 CO 0.01 0.37 -0.20 -0.70 0.00 0.00 0.00 175.10 174.58 1u94 s GLU 63 N -0.56 3.17 -0.19 2.72 2.12 -0.38 -0.37 118.70 125.22 1u94 s GLU 63 Ca 0.07 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.60 1u94 s GLU 63 Cb -0.07 -2.43 0.04 0.00 0.26 0.00 0.00 34.13 31.92 1u94 s GLU 63 CO -0.00 0.20 -0.12 0.42 -0.54 0.00 0.00 175.26 175.21 1u94 s ILE 64 N 0.33 1.69 0.13 -3.70 1.01 -0.51 -0.05 121.20 120.10 1u94 s ILE 64 Ca -0.16 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.62 1u94 s ILE 64 Cb -0.17 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 1u94 s ILE 64 CO 0.08 0.28 -0.13 -0.72 0.00 0.00 0.00 174.94 174.44 1u94 s TYR 65 N 1.40 1.38 0.00 3.97 -0.85 -0.14 -0.91 117.35 122.20 1u94 s TYR 65 Ca 0.01 -0.61 0.00 0.00 -0.52 0.00 0.00 57.07 55.95 1u94 s TYR 65 Cb -0.15 -0.71 0.00 0.00 0.38 0.00 0.00 41.96 41.48 1u94 s TYR 65 CO -0.09 0.15 0.00 0.41 -1.52 0.00 0.00 175.55 174.49 1u94 n GLY 66 N 0.28 1.22 3.63 5.49 0.00 -1.08 -1.40 105.19 113.32 1u94 n GLY 66 Ca -0.14 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 1u94 n GLY 66 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1u94 s PRO 67 N -2.00 0.35 0.52 1.61 0.02 -1.26 -4.50 135.00 129.73 1u94 s PRO 67 Ca 0.00 0.92 -0.22 0.00 0.02 0.00 0.00 61.00 61.73 1u94 s PRO 67 Cb 0.00 -1.70 -0.06 0.00 0.02 0.00 0.00 34.50 32.77 1u94 s PRO 67 CO 0.00 -2.89 1.26 -1.83 -0.33 0.00 0.00 177.00 173.21 1u94 s GLU 68 N -4.72 3.37 -1.32 5.54 -1.05 -1.26 -1.89 118.70 117.37 1u94 s GLU 68 Ca 0.66 2.00 0.00 0.00 -0.15 0.00 0.00 54.97 57.48 1u94 s GLU 68 Cb -0.21 -2.28 0.00 0.00 -0.44 0.00 0.00 34.13 31.20 1u94 s GLU 68 CO 0.60 -0.93 0.00 0.43 0.95 0.00 0.00 175.26 176.31 1u94 n SER 69 N -0.87 -4.84 0.16 0.83 7.64 -1.26 -4.85 113.62 110.43 1u94 n SER 69 Ca 0.09 0.31 0.05 0.00 1.01 0.00 0.00 58.87 60.33 1u94 n SER 69 Cb 0.47 -3.43 0.07 0.00 -1.01 0.00 0.00 64.21 60.30 1u94 n SER 69 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1u94 h SER 70 N 0.00 0.00 0.00 6.43 4.64 -1.71 -3.43 113.55 119.47 1u94 h SER 70 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1u94 h SER 70 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1u94 h SER 70 CO 0.37 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 177.30 1u94 n GLY 71 N 1.19 1.01 0.26 -0.77 0.00 -1.26 -3.81 105.19 101.81 1u94 n GLY 71 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1u94 n GLY 71 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1u94 h LYS 72 N 0.55 0.18 0.10 1.61 2.10 -1.91 -0.88 116.57 118.31 1u94 h LYS 72 Ca 0.00 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1u94 h LYS 72 Cb 0.00 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 1u94 h LYS 72 CO 0.00 0.18 -0.05 1.15 -2.00 0.00 0.00 179.45 178.73 1u94 h THR 73 N 0.18 1.04 -0.08 0.07 2.02 -1.96 -0.80 112.91 113.38 1u94 h THR 73 Ca 0.05 -0.51 0.02 0.00 0.77 0.00 0.00 66.41 66.73 1u94 h THR 73 Cb 0.09 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1u94 h THR 73 CO -0.00 0.13 -0.05 0.74 0.37 0.00 0.00 175.52 176.70 1u94 h THR 74 N -0.37 0.83 -0.47 3.16 2.02 -1.87 -1.27 112.91 114.95 1u94 h THR 74 Ca -0.01 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.24 1u94 h THR 74 Cb 0.31 0.83 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 1u94 h THR 74 CO 0.02 0.00 0.12 0.25 0.37 0.00 0.00 175.52 176.28 1u94 h LEU 75 N -0.06 0.07 -0.79 2.58 5.85 -1.12 0.28 115.31 122.12 1u94 h LEU 75 Ca 0.05 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1u94 h LEU 75 Cb 0.13 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1u94 h LEU 75 CO -0.12 0.07 0.44 0.74 -0.34 0.00 0.00 178.44 179.23 1u94 h THR 76 N 0.27 1.23 -0.23 1.05 2.02 -0.78 -1.76 112.91 114.71 1u94 h THR 76 Ca 0.23 -0.56 -0.13 0.00 0.77 0.00 0.00 66.41 66.71 1u94 h THR 76 Cb 0.27 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1u94 h THR 76 CO -0.27 0.25 -0.41 -0.07 0.37 0.00 0.00 175.52 175.39 1u94 h LEU 77 N 1.09 0.59 -0.93 2.58 3.38 -0.54 -2.42 115.31 119.05 1u94 h LEU 77 Ca 0.28 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1u94 h LEU 77 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1u94 h LEU 77 CO -0.05 0.93 0.01 1.56 0.09 0.00 0.00 178.44 180.99 1u94 h GLN 78 N 0.46 0.79 -0.33 1.13 1.08 -0.59 -0.35 115.11 117.29 1u94 h GLN 78 Ca 0.04 -0.21 -0.03 0.00 -1.45 0.00 0.00 58.65 57.00 1u94 h GLN 78 Cb 0.91 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 1u94 h GLN 78 CO 0.08 0.79 0.08 0.28 -0.95 0.00 0.00 178.83 179.11 1u94 h VAL 79 N 0.74 1.22 -0.39 -0.54 2.07 -1.13 -0.01 116.25 118.21 1u94 h VAL 79 Ca 0.15 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1u94 h VAL 79 Cb 0.43 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1u94 h VAL 79 CO 0.02 0.25 0.23 0.40 0.02 0.00 0.00 177.57 178.48 1u94 h ILE 80 N 0.37 1.13 -0.69 4.57 2.04 -1.10 -0.55 117.51 123.29 1u94 h ILE 80 Ca 0.10 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1u94 h ILE 80 Cb 0.29 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1u94 h ILE 80 CO 0.00 0.13 0.42 0.00 0.00 0.00 0.00 178.15 178.70 1u94 h ALA 81 N 1.10 0.88 -0.69 1.87 0.00 -0.89 0.04 119.26 121.57 1u94 h ALA 81 Ca 0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1u94 h ALA 81 Cb 0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1u94 h ALA 81 CO -0.03 0.35 0.26 0.00 0.00 0.00 0.00 179.25 179.83 1u94 h ALA 82 N 1.22 0.90 -0.14 0.00 0.00 -0.68 -1.30 119.26 119.25 1u94 h ALA 82 Ca 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1u94 h ALA 82 Cb -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1u94 h ALA 82 CO -0.05 0.53 0.03 0.00 0.00 0.00 0.00 179.25 179.77 1u94 h ALA 83 N 1.12 0.19 -0.15 0.00 0.00 -0.62 -2.76 119.26 117.03 1u94 h ALA 83 Ca 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1u94 h ALA 83 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1u94 h ALA 83 CO -0.02 -0.17 0.01 1.96 0.00 0.00 0.00 179.25 181.04 1u94 h GLN 84 N 0.03 0.21 -0.29 0.00 4.20 -0.87 -0.76 115.11 117.64 1u94 h GLN 84 Ca 0.05 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.76 1u94 h GLN 84 Cb 0.27 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1u94 h GLN 84 CO 0.00 0.23 0.20 -0.09 -0.67 0.00 0.00 178.83 178.49 1u94 h ARG 85 N 0.21 0.27 -0.16 1.46 9.65 -0.94 0.23 114.38 125.09 1u94 h ARG 85 Ca 0.05 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1u94 h ARG 85 Cb 0.13 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1u94 h ARG 85 CO 0.00 0.18 0.00 0.39 2.80 0.00 0.00 179.97 183.34 1u94 n GLU 86 N -4.49 1.73 -0.75 0.20 1.02 -0.36 -4.90 120.64 113.09 1u94 n GLU 86 Ca 0.02 -1.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.06 1u94 n GLU 86 Cb 0.16 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1u94 n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u94 n GLY 87 N 1.13 0.59 3.81 0.62 0.00 0.07 -5.04 105.19 106.37 1u94 n GLY 87 Ca 0.16 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1u94 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u94 s LYS 88 N -0.64 4.32 -0.09 1.61 1.02 -0.81 -4.99 119.74 120.17 1u94 s LYS 88 Ca 0.00 0.97 -0.23 0.00 0.02 0.00 0.00 55.97 56.73 1u94 s LYS 88 Cb 0.00 -2.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 1u94 s LYS 88 CO 0.00 0.36 0.68 0.99 -0.92 0.00 0.00 175.35 176.46 1u94 s THR 89 N -1.55 5.05 0.08 2.17 2.01 -1.26 -4.01 115.64 118.13 1u94 s THR 89 Ca 0.45 1.37 0.09 0.00 0.31 0.00 0.00 61.69 63.92 1u94 s THR 89 Cb -0.17 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 1u94 s THR 89 CO 0.21 0.23 -0.23 0.00 -0.69 0.00 0.00 174.62 174.14 1u94 s ALA 91 N -0.95 1.27 -0.25 0.00 0.00 0.33 -2.03 121.76 120.12 1u94 s ALA 91 Ca 0.14 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 1u94 s ALA 91 Cb -0.10 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.66 1u94 s ALA 91 CO 0.05 0.26 -0.05 0.12 0.00 0.00 0.00 175.76 176.15 1u94 s PHE 92 N -0.09 3.08 -0.45 0.00 5.36 0.63 -0.83 117.98 125.68 1u94 s PHE 92 Ca 0.00 -1.52 -0.15 0.00 -0.96 0.00 0.00 56.93 54.31 1u94 s PHE 92 Cb -0.08 -2.08 0.06 0.00 -0.34 0.00 0.00 43.02 40.57 1u94 s PHE 92 CO 0.01 -0.72 0.35 0.42 -1.46 0.00 0.00 175.22 173.82 1u94 s ILE 93 N 1.34 5.12 -0.18 3.12 -1.09 0.44 -1.52 121.20 128.42 1u94 s ILE 93 Ca 0.00 -0.98 -0.04 0.00 -2.23 0.00 0.00 60.65 57.40 1u94 s ILE 93 Cb -0.17 -4.00 -0.02 0.00 -1.58 0.00 0.00 42.46 36.69 1u94 s ILE 93 CO -0.04 -0.49 -0.03 -0.62 -1.23 0.00 0.00 174.94 172.54 1u94 s ASP 94 N 2.27 4.66 0.00 3.58 2.15 0.86 -1.54 116.67 128.65 1u94 s ASP 94 Ca 0.04 -0.22 0.00 0.00 0.43 0.00 0.00 52.55 52.80 1u94 s ASP 94 Cb -0.23 -1.78 0.00 0.00 -0.30 0.00 0.00 42.92 40.62 1u94 s ASP 94 CO 0.07 0.09 0.54 0.00 -0.17 0.00 0.00 175.17 175.71 1u94 n ALA 95 N 4.03 1.90 -0.09 3.66 0.00 0.65 -3.89 120.51 126.78 1u94 n ALA 95 Ca -0.17 -0.54 -0.11 0.00 0.00 0.00 0.00 53.44 52.61 1u94 n ALA 95 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.82 1u94 n ALA 95 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1u94 n GLU 96 N -0.12 0.68 -3.39 0.00 -0.58 -1.00 -4.79 120.64 111.43 1u94 n GLU 96 Ca 0.00 0.05 -0.17 0.00 -0.42 0.00 0.00 57.16 56.63 1u94 n GLU 96 Cb 0.13 -1.56 0.08 0.00 -0.57 0.00 0.00 31.44 29.52 1u94 n GLU 96 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1u94 n HIS 97 N -2.86 -2.26 -0.97 -0.32 8.25 -1.26 -4.94 115.22 110.86 1u94 n HIS 97 Ca -0.32 0.91 0.00 0.00 -0.26 0.00 0.00 57.72 58.05 1u94 n HIS 97 Cb 1.12 -4.79 0.00 0.00 1.12 0.00 0.00 29.99 27.44 1u94 n HIS 97 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u94 n ALA 98 N -3.89 1.02 -1.77 -1.41 0.00 -1.26 -5.09 120.51 108.11 1u94 n ALA 98 Ca -0.23 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.29 1u94 n ALA 98 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.09 1u94 n ALA 98 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1u94 s LEU 99 N -0.03 4.35 -0.48 0.00 2.96 -1.26 -4.97 118.68 119.25 1u94 s LEU 99 Ca 0.00 2.92 -0.02 0.00 -0.22 0.00 0.00 54.13 56.81 1u94 s LEU 99 Cb 0.00 -3.63 0.13 0.00 0.50 0.00 0.00 46.19 43.19 1u94 s LEU 99 CO 0.00 -0.90 0.27 -0.62 -1.32 0.00 0.00 176.35 173.78 1u94 s ASP 100 N 0.54 5.16 0.54 3.68 2.15 -1.26 -4.96 116.67 122.52 1u94 s ASP 100 Ca 0.64 -2.36 0.21 0.00 0.43 0.00 0.00 52.55 51.47 1u94 s ASP 100 Cb -0.47 -1.81 1.45 0.00 -0.30 0.00 0.00 42.92 41.78 1u94 s ASP 100 CO 0.46 -0.46 2.16 1.55 -0.17 0.00 0.00 175.17 178.72 1u94 h PRO 101 N 7.61 0.00 -0.08 4.34 0.13 -1.98 0.07 132.00 142.09 1u94 h PRO 101 Ca -0.09 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 1u94 h PRO 101 Cb 1.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1u94 h PRO 101 CO 0.69 0.00 -0.03 0.82 -0.23 0.00 0.00 178.00 179.25 1u94 h ILE 102 N 0.00 1.31 -0.48 -3.56 2.04 -2.00 -0.22 117.51 114.61 1u94 h ILE 102 Ca 0.03 -1.01 -0.11 0.00 1.00 0.00 0.00 64.86 64.76 1u94 h ILE 102 Cb 0.12 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1u94 h ILE 102 CO -0.00 0.28 -0.15 0.22 0.00 0.00 0.00 178.15 178.50 1u94 h TYR 103 N -0.19 1.04 -0.51 1.37 3.20 -1.89 -2.71 116.97 117.28 1u94 h TYR 103 Ca 0.02 -0.22 0.02 0.00 3.14 0.00 0.00 58.73 61.69 1u94 h TYR 103 Cb 0.46 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1u94 h TYR 103 CO 0.06 1.01 0.30 0.00 -1.64 0.00 0.00 178.16 177.89 1u94 h ALA 104 N 1.00 0.65 -0.41 1.82 0.00 -0.86 -1.88 119.26 119.58 1u94 h ALA 104 Ca 0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1u94 h ALA 104 Cb 0.70 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1u94 h ALA 104 CO 0.05 0.01 0.05 0.00 0.00 0.00 0.00 179.25 179.36 1u94 h ARG 105 N 0.61 0.62 0.00 0.00 3.08 -0.93 -1.01 114.38 116.76 1u94 h ARG 105 Ca 0.20 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1u94 h ARG 105 Cb 0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1u94 h ARG 105 CO -0.09 0.61 -0.18 0.87 -1.07 0.00 0.00 179.97 180.11 1u94 h LYS 106 N 0.60 0.00 -0.05 0.04 1.57 -1.04 -0.76 116.57 116.94 1u94 h LYS 106 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1u94 h LYS 106 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1u94 h LYS 106 CO 0.01 0.18 0.00 1.28 -0.57 0.00 0.00 179.45 180.35 1u94 n LEU 107 N -4.11 1.12 0.00 2.94 4.77 -0.57 -4.90 117.00 116.24 1u94 n LEU 107 Ca -0.02 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 1u94 n LEU 107 Cb 0.25 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1u94 n LEU 107 CO 0.35 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1u94 n GLY 108 N 1.10 0.83 3.73 -0.72 0.00 -0.29 -4.84 105.19 105.00 1u94 n GLY 108 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1u94 n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u94 s VAL 109 N -2.09 3.84 -1.12 1.61 1.01 -0.49 -4.73 120.40 118.42 1u94 s VAL 109 Ca 0.00 1.51 -0.15 0.00 0.00 0.00 0.00 61.98 63.34 1u94 s VAL 109 Cb 0.00 -3.97 0.16 0.00 0.00 0.00 0.00 36.38 32.57 1u94 s VAL 109 CO 0.00 0.23 1.34 -0.62 0.00 0.00 0.00 175.10 176.05 1u94 s ASP 110 N 0.19 6.94 0.22 3.32 -1.08 -1.26 -4.24 116.67 120.76 1u94 s ASP 110 Ca 0.52 -2.70 -0.08 0.00 -0.52 0.00 0.00 52.55 49.77 1u94 s ASP 110 Cb -0.30 -2.40 0.27 0.00 -1.46 0.00 0.00 42.92 39.03 1u94 s ASP 110 CO 0.34 -0.85 1.83 0.40 0.52 0.00 0.00 175.17 177.42 1u94 h ILE 111 N 5.03 1.02 -0.87 4.11 1.08 -1.94 -2.42 117.51 123.51 1u94 h ILE 111 Ca 0.27 -0.29 0.17 0.00 -0.39 0.00 0.00 64.86 64.62 1u94 h ILE 111 Cb 0.92 0.11 -0.07 0.00 -3.07 0.00 0.00 36.82 34.71 1u94 h ILE 111 CO 1.20 0.15 0.57 0.44 -0.69 0.00 0.00 178.15 179.83 1u94 h ASP 112 N 0.84 0.52 -0.30 1.72 3.32 -2.01 -0.94 116.42 119.57 1u94 h ASP 112 Ca 0.33 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1u94 h ASP 112 Cb 0.15 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1u94 h ASP 112 CO -0.16 0.24 0.00 0.59 -1.72 0.00 0.00 179.24 178.19 1u94 n ASN 113 N -4.54 2.98 -4.69 6.45 3.02 -0.94 -4.92 115.26 112.62 1u94 n ASN 113 Ca 0.18 -1.93 -0.42 0.00 -0.03 0.00 0.00 54.58 52.38 1u94 n ASN 113 Cb 0.57 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 1u94 n ASN 113 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1u94 s LEU 114 N -1.55 4.25 0.34 3.41 2.96 -0.36 -4.76 118.68 122.96 1u94 s LEU 114 Ca 0.36 1.56 -0.26 0.00 -0.22 0.00 0.00 54.13 55.57 1u94 s LEU 114 Cb 0.21 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.25 1u94 s LEU 114 CO 0.30 -0.46 0.99 -0.76 -1.32 0.00 0.00 176.35 175.10 1u94 s LEU 115 N 2.03 4.31 -0.09 -0.68 1.43 -0.86 -4.95 118.68 119.87 1u94 s LEU 115 Ca 0.49 1.94 -0.08 0.00 -1.03 0.00 0.00 54.13 55.45 1u94 s LEU 115 Cb -0.19 -4.01 0.03 0.00 0.03 0.00 0.00 46.19 42.05 1u94 s LEU 115 CO 0.18 -0.18 0.24 0.00 0.23 0.00 0.00 176.35 176.81 1u94 s SER 117 N 0.31 1.26 -0.58 0.00 0.01 -0.58 -4.97 113.70 109.14 1u94 s SER 117 Ca -0.02 -0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.02 1u94 s SER 117 Cb -0.03 -0.11 0.17 0.00 0.21 0.00 0.00 66.02 66.25 1u94 s SER 117 CO -0.01 0.08 0.42 -1.10 0.41 0.00 0.00 173.24 173.03 1u94 s GLN 118 N -0.54 1.85 0.65 12.44 -0.21 -1.26 -0.10 119.66 132.50 1u94 s GLN 118 Ca 0.02 -2.82 -0.17 0.00 0.02 0.00 0.00 55.36 52.41 1u94 s GLN 118 Cb -0.05 -2.68 -0.04 0.00 1.00 0.00 0.00 33.01 31.23 1u94 s GLN 118 CO 0.00 -1.31 0.72 -2.30 -2.12 0.00 0.00 175.29 170.29 1u94 n PRO 119 N 2.40 0.55 0.19 2.91 -0.02 -1.25 -4.96 135.00 134.82 1u94 n PRO 119 Ca 0.22 0.23 0.09 0.00 -2.02 0.00 0.00 63.50 62.02 1u94 n PRO 119 Cb 0.39 -1.96 0.12 0.00 -0.02 0.00 0.00 33.50 32.03 1u94 n PRO 119 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1u94 h ASP 120 N 0.02 0.00 -5.24 2.55 3.32 -1.95 -3.47 116.42 111.64 1u94 h ASP 120 Ca -0.47 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.51 1u94 h ASP 120 Cb 1.36 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.81 1u94 h ASP 120 CO 0.47 0.15 -0.19 0.42 -1.72 0.00 0.00 179.24 178.36 1u94 s THR 121 N -3.14 0.03 0.23 0.35 -4.23 -1.26 -5.00 115.64 102.61 1u94 s THR 121 Ca 0.06 -1.32 -0.05 0.00 -1.18 0.00 0.00 61.69 59.20 1u94 s THR 121 Cb 0.06 -1.97 0.11 0.00 1.34 0.00 0.00 72.50 72.04 1u94 s THR 121 CO 0.70 -0.13 1.74 1.23 -0.54 0.00 0.00 174.62 177.61 1u94 h GLY 122 N 2.37 1.04 1.12 3.99 0.00 -0.78 -1.78 103.07 109.03 1u94 h GLY 122 Ca -0.29 -0.68 -0.09 0.00 0.00 0.00 0.00 47.33 46.28 1u94 h GLY 122 CO 0.41 0.63 0.04 0.83 0.00 0.00 0.00 176.54 178.46 1u94 h GLU 123 N 0.91 1.06 -0.55 4.80 3.07 -1.90 -2.53 114.58 119.45 1u94 h GLU 123 Ca 0.18 -0.31 -0.09 0.00 -0.50 0.00 0.00 59.36 58.64 1u94 h GLU 123 Cb 0.42 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1u94 h GLU 123 CO 0.01 1.01 -0.00 0.37 -1.40 0.00 0.00 179.01 179.00 1u94 h GLN 124 N 0.98 0.94 -0.62 2.33 4.15 -1.88 -1.39 115.11 119.63 1u94 h GLN 124 Ca 0.18 -0.28 0.02 0.00 0.77 0.00 0.00 58.65 59.35 1u94 h GLN 124 Cb 0.50 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.06 1u94 h GLN 124 CO 0.02 0.93 0.39 0.00 -1.93 0.00 0.00 178.83 178.24 1u94 h ALA 125 N 1.12 0.79 -0.34 3.38 0.00 -1.07 -0.48 119.26 122.66 1u94 h ALA 125 Ca 0.16 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1u94 h ALA 125 Cb 0.52 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1u94 h ALA 125 CO 0.03 0.14 -0.33 -0.07 0.00 0.00 0.00 179.25 179.02 1u94 h LEU 126 N 0.77 0.78 -0.96 0.00 3.38 -1.22 -2.15 115.31 115.91 1u94 h LEU 126 Ca 0.24 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1u94 h LEU 126 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1u94 h LEU 126 CO -0.09 1.05 -0.02 -0.33 0.09 0.00 0.00 178.44 179.14 1u94 h GLU 127 N 0.63 0.73 -0.37 1.13 5.08 -0.81 -1.01 114.58 119.96 1u94 h GLU 127 Ca 0.07 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.10 1u94 h GLU 127 Cb 0.87 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1u94 h GLU 127 CO 0.08 0.76 -0.27 0.82 -1.00 0.00 0.00 179.01 179.39 1u94 h ILE 128 N 0.68 1.28 -0.63 3.13 2.04 -0.94 -0.62 117.51 122.45 1u94 h ILE 128 Ca 0.13 -1.41 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 1u94 h ILE 128 Cb 0.46 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1u94 h ILE 128 CO 0.02 0.47 0.23 0.00 0.00 0.00 0.00 178.15 178.87 1u94 h ASP 130 N 0.89 0.93 -0.38 0.00 3.58 -0.97 -0.28 116.42 120.19 1u94 h ASP 130 Ca 0.21 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.32 1u94 h ASP 130 Cb 0.23 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 1u94 h ASP 130 CO -0.01 1.02 0.16 0.00 -2.88 0.00 0.00 179.24 177.53 1u94 h ALA 131 N 0.94 0.50 -0.74 -0.78 0.00 -0.86 -0.41 119.26 117.91 1u94 h ALA 131 Ca 0.15 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1u94 h ALA 131 Cb 0.56 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1u94 h ALA 131 CO 0.03 0.09 0.26 -0.07 0.00 0.00 0.00 179.25 179.56 1u94 h LEU 132 N 0.48 1.05 -0.63 0.00 3.38 -0.99 -1.33 115.31 117.27 1u94 h LEU 132 Ca 0.13 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1u94 h LEU 132 Cb 0.17 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1u94 h LEU 132 CO -0.01 0.96 0.28 0.00 0.09 0.00 0.00 178.44 179.76 1u94 h ALA 133 N 1.18 0.81 -0.07 1.53 0.00 -0.68 -2.79 119.26 119.24 1u94 h ALA 133 Ca 0.24 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1u94 h ALA 133 Cb 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1u94 h ALA 133 CO -0.01 0.39 -0.41 0.00 0.00 0.00 0.00 179.25 179.22 1u94 h ARG 134 N 0.87 0.14 -0.07 0.00 3.08 -0.76 -3.12 114.38 114.52 1u94 h ARG 134 Ca 0.21 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 1u94 h ARG 134 Cb 0.15 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1u94 h ARG 134 CO -0.02 0.53 -0.19 0.66 -1.07 0.00 0.00 179.97 179.88 1u94 h SER 135 N 0.12 0.10 -0.79 7.04 4.64 -0.97 -3.46 113.55 120.23 1u94 h SER 135 Ca 0.01 -0.02 -0.31 0.00 -0.47 0.00 0.00 61.79 61.00 1u94 h SER 135 Cb 0.78 -0.03 -0.11 0.00 -0.31 0.00 0.00 62.40 62.73 1u94 h SER 135 CO 0.06 0.30 -0.28 0.61 -0.87 0.00 0.00 176.83 176.65 1u94 n GLY 136 N -0.86 1.43 0.56 -0.77 0.00 -1.18 -4.85 105.19 99.52 1u94 n GLY 136 Ca -0.02 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.77 1u94 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u94 n ALA 137 N 1.11 2.61 -2.46 4.61 0.00 -1.26 -4.95 120.51 120.17 1u94 n ALA 137 Ca -0.15 -0.60 -0.26 0.00 0.00 0.00 0.00 53.44 52.43 1u94 n ALA 137 Cb 0.50 -0.52 -0.15 0.00 0.00 0.00 0.00 19.45 19.27 1u94 n ALA 137 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u94 s VAL 138 N -1.40 1.52 -0.15 0.00 1.01 -1.26 -4.86 120.40 115.25 1u94 s VAL 138 Ca 0.17 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1u94 s VAL 138 Cb 0.13 -1.27 -0.23 0.00 0.00 0.00 0.00 36.38 35.01 1u94 s VAL 138 CO 0.23 0.42 0.23 0.47 0.00 0.00 0.00 175.10 176.46 1u94 n ASP 139 N 2.58 1.63 -3.89 3.32 8.00 0.02 -4.66 116.55 123.55 1u94 n ASP 139 Ca -0.15 0.13 -0.18 0.00 0.71 0.00 0.00 54.79 55.30 1u94 n ASP 139 Cb 0.53 -0.40 -0.16 0.00 -0.02 0.00 0.00 41.12 41.07 1u94 n ASP 139 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1u94 s VAL 140 N -2.55 0.42 -0.09 2.53 1.01 -0.73 -1.22 120.40 119.77 1u94 s VAL 140 Ca -0.21 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1u94 s VAL 140 Cb 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 36.01 1u94 s VAL 140 CO 0.74 0.18 -0.21 -0.63 0.00 0.00 0.00 175.10 175.18 1u94 s ILE 141 N 0.70 1.85 -0.14 2.22 1.01 0.51 -0.51 121.20 126.83 1u94 s ILE 141 Ca -0.08 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1u94 s ILE 141 Cb -0.12 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.74 1u94 s ILE 141 CO -0.00 0.51 -0.20 -0.69 0.00 0.00 0.00 174.94 174.56 1u94 s VAL 142 N 0.45 2.27 -0.28 2.92 1.01 -0.01 -0.14 120.40 126.61 1u94 s VAL 142 Ca -0.17 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 60.85 1u94 s VAL 142 Cb -0.17 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1u94 s VAL 142 CO 0.07 0.54 0.04 -0.69 0.00 0.00 0.00 175.10 175.06 1u94 s VAL 143 N 0.77 3.58 -0.31 2.92 1.01 0.88 -0.42 120.40 128.83 1u94 s VAL 143 Ca -0.08 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1u94 s VAL 143 Cb -0.16 -2.86 0.08 0.00 0.00 0.00 0.00 36.38 33.44 1u94 s VAL 143 CO -0.00 0.09 -0.00 -0.62 0.00 0.00 0.00 175.10 174.56 1u94 s ASP 144 N 1.43 4.68 0.26 3.32 2.15 -0.59 -1.15 116.67 126.77 1u94 s ASP 144 Ca 0.01 -1.85 -0.03 0.00 0.43 0.00 0.00 52.55 51.11 1u94 s ASP 144 Cb -0.17 -1.61 -0.02 0.00 -0.30 0.00 0.00 42.92 40.81 1u94 s ASP 144 CO 0.00 -0.32 0.31 -0.94 -0.17 0.00 0.00 175.17 174.06 1u94 s SER 145 N 1.03 0.49 0.18 -0.34 1.04 -1.26 -0.25 113.70 114.58 1u94 s SER 145 Ca 0.03 -1.36 -0.14 0.00 0.48 0.00 0.00 55.95 54.97 1u94 s SER 145 Cb -0.20 0.52 0.12 0.00 0.10 0.00 0.00 66.02 66.56 1u94 s SER 145 CO -0.06 -1.04 1.79 0.58 0.98 0.00 0.00 173.24 175.48 1u94 h VAL 146 N 2.35 0.98 0.00 5.02 2.07 -1.09 -2.04 116.25 123.54 1u94 h VAL 146 Ca -0.30 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1u94 h VAL 146 Cb 1.25 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1u94 h VAL 146 CO 0.43 0.09 -0.01 0.00 0.02 0.00 0.00 177.57 178.11 1u94 h ALA 147 N 1.25 1.81 -0.00 1.67 0.00 -1.90 -2.15 119.26 119.94 1u94 h ALA 147 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1u94 h ALA 147 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1u94 h ALA 147 CO -0.14 0.01 -0.27 0.00 0.00 0.00 0.00 179.25 178.85 1u94 n ALA 148 N -2.46 3.08 -2.52 0.00 0.00 -0.79 -4.66 120.51 113.16 1u94 n ALA 148 Ca -0.03 -0.35 -0.41 0.00 0.00 0.00 0.00 53.44 52.65 1u94 n ALA 148 Cb 0.09 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 1u94 n ALA 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u94 s LEU 149 N -2.64 3.71 -0.03 0.00 1.43 -0.81 -4.89 118.68 115.46 1u94 s LEU 149 Ca 0.22 -2.23 -0.30 0.00 -1.03 0.00 0.00 54.13 50.78 1u94 s LEU 149 Cb 0.19 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1u94 s LEU 149 CO 0.55 -1.42 1.22 -0.89 0.23 0.00 0.00 176.35 176.05 1u94 s THR 150 N 5.05 4.17 0.50 5.49 2.01 -1.26 -4.54 115.64 127.06 1u94 s THR 150 Ca 0.55 1.51 -0.23 0.00 0.31 0.00 0.00 61.69 63.83 1u94 s THR 150 Cb 0.03 -3.97 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 1u94 s THR 150 CO 0.06 0.02 1.35 -2.84 -0.69 0.00 0.00 174.62 172.52 1u94 s PRO 151 N 2.06 3.43 0.25 4.92 0.02 -1.26 -0.14 135.00 144.27 1u94 s PRO 151 Ca 0.57 2.22 -0.03 0.00 0.02 0.00 0.00 61.00 63.79 1u94 s PRO 151 Cb -0.26 -2.43 0.49 0.00 0.02 0.00 0.00 34.50 32.33 1u94 s PRO 151 CO 0.24 -0.96 1.73 -0.22 -0.33 0.00 0.00 177.00 177.46 1u94 h LYS 152 N 1.87 0.45 -0.65 5.54 3.64 -1.94 -0.73 116.57 124.75 1u94 h LYS 152 Ca -0.51 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.89 1u94 h LYS 152 Cb 1.28 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 1u94 h LYS 152 CO 0.59 0.30 0.43 0.00 -2.27 0.00 0.00 179.45 178.50 1u94 h ALA 153 N 1.56 1.69 -0.13 5.00 0.00 -1.97 -1.21 119.26 124.21 1u94 h ALA 153 Ca 0.43 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.17 1u94 h ALA 153 Cb 0.67 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1u94 h ALA 153 CO -0.41 0.22 -0.49 1.49 0.00 0.00 0.00 179.25 180.06 1u94 h GLU 154 N 0.72 0.57 -0.81 0.00 4.81 -1.46 0.20 114.58 118.62 1u94 h GLU 154 Ca 0.27 -0.43 0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1u94 h GLU 154 Cb 0.15 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 1u94 h GLU 154 CO -0.08 1.06 0.53 0.82 -0.73 0.00 0.00 179.01 180.61 1u94 h ILE 155 N 0.20 1.03 -0.01 2.32 2.04 -0.77 0.13 117.51 122.46 1u94 h ILE 155 Ca -0.02 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1u94 h ILE 155 Cb 1.12 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1u94 h ILE 155 CO 0.10 0.16 -0.00 -0.62 0.00 0.00 0.00 178.15 177.79 1u94 n GLU 156 N -4.49 1.27 -3.15 2.37 -0.58 -0.51 -4.92 120.64 110.64 1u94 n GLU 156 Ca 0.12 -0.42 -0.18 0.00 -0.42 0.00 0.00 57.16 56.27 1u94 n GLU 156 Cb 0.22 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 29.65 1u94 n GLU 156 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1u94 n GLY 157 N 1.08 -0.22 0.11 0.62 0.00 0.47 -5.07 105.19 102.18 1u94 n GLY 157 Ca 0.22 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 1u94 n GLY 157 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u94 n GLU 158 N -3.70 0.55 0.00 1.61 1.02 0.68 -5.02 120.64 115.78 1u94 n GLU 158 Ca -0.03 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1u94 n GLU 158 Cb 0.56 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1u94 n GLU 158 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u94 n GLY 165 N 1.39 0.00 0.21 0.62 0.00 -1.26 -4.75 105.19 101.40 1u94 n GLY 165 Ca -0.33 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 1u94 n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1u94 h LEU 166 N 0.00 0.64 -0.48 0.99 3.38 -2.01 -1.13 115.31 116.70 1u94 h LEU 166 Ca 0.00 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1u94 h LEU 166 Cb 0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1u94 h LEU 166 CO 0.00 0.78 0.21 0.00 0.09 0.00 0.00 178.44 179.52 1u94 h ALA 167 N 0.89 0.63 -0.91 1.53 0.00 -1.94 -0.08 119.26 119.37 1u94 h ALA 167 Ca 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1u94 h ALA 167 Cb 0.44 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1u94 h ALA 167 CO 0.02 0.21 0.52 0.00 0.00 0.00 0.00 179.25 180.00 1u94 h ALA 168 N 1.05 1.20 -0.60 0.00 0.00 -1.66 -1.02 119.26 118.23 1u94 h ALA 168 Ca 0.16 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1u94 h ALA 168 Cb 0.16 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1u94 h ALA 168 CO -0.02 0.66 -0.02 -0.09 0.00 0.00 0.00 179.25 179.78 1u94 h ARG 169 N 1.27 1.08 -0.27 0.00 2.43 -0.77 -1.06 114.38 117.05 1u94 h ARG 169 Ca 0.32 -0.36 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1u94 h ARG 169 Cb -0.01 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1u94 h ARG 169 CO -0.06 1.06 0.16 1.98 -1.51 0.00 0.00 179.97 181.61 1u94 h MET 170 N 0.98 0.37 -0.39 0.20 4.05 -0.44 -1.51 114.93 118.19 1u94 h MET 170 Ca 0.17 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.52 1u94 h MET 170 Cb 0.59 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.30 1u94 h MET 170 CO 0.04 0.30 0.12 0.52 0.23 0.00 0.00 176.91 178.12 1u94 h MET 171 N 0.34 0.60 -0.82 0.39 2.86 -1.04 -3.12 114.93 114.13 1u94 h MET 171 Ca 0.10 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1u94 h MET 171 Cb 0.03 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 1u94 h MET 171 CO -0.02 0.60 0.38 0.77 1.06 0.00 0.00 176.91 179.70 1u94 h SER 172 N 0.48 1.08 0.69 1.22 0.02 -1.04 -1.20 113.55 114.80 1u94 h SER 172 Ca 0.12 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1u94 h SER 172 Cb 0.25 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1u94 h SER 172 CO -0.00 0.92 0.00 1.56 -1.14 0.00 0.00 176.83 178.16 1u94 h GLN 173 N 1.17 0.00 0.00 3.45 4.20 -1.22 -3.26 115.11 119.45 1u94 h GLN 173 Ca 0.28 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.81 1u94 h GLN 173 Cb 0.13 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1u94 h GLN 173 CO -0.03 0.00 -1.80 0.00 -0.67 0.00 0.00 178.83 176.32 1u94 n ALA 174 N -2.02 1.86 -0.13 3.87 0.00 -1.00 -4.77 120.51 118.33 1u94 n ALA 174 Ca -0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 53.44 52.68 1u94 n ALA 174 Cb 0.23 -0.11 0.03 0.00 0.00 0.00 0.00 19.45 19.60 1u94 n ALA 174 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1u94 h MET 175 N 0.00 0.09 -0.04 0.00 -1.53 -1.27 -1.59 114.93 110.58 1u94 h MET 175 Ca -0.27 -0.01 0.02 0.00 -3.44 0.00 0.00 59.70 56.01 1u94 h MET 175 Cb 1.52 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 32.53 1u94 h MET 175 CO 0.01 0.06 -0.08 -0.09 0.14 0.00 0.00 176.91 176.95 1u94 h ARG 176 N 0.09 -0.12 -0.65 0.39 2.43 -1.86 0.70 114.38 115.35 1u94 h ARG 176 Ca 0.21 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 1u94 h ARG 176 Cb 0.30 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1u94 h ARG 176 CO -0.36 -0.08 0.11 0.87 -1.51 0.00 0.00 179.97 179.00 1u94 h LYS 177 N -0.13 1.06 -0.13 0.20 1.57 -1.85 -2.17 116.57 115.12 1u94 h LYS 177 Ca 0.05 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1u94 h LYS 177 Cb 0.19 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1u94 h LYS 177 CO -0.11 0.96 0.06 1.25 -0.57 0.00 0.00 179.45 181.04 1u94 h LEU 178 N 0.99 0.18 -0.66 2.94 6.46 -0.96 -1.15 115.31 123.11 1u94 h LEU 178 Ca 0.20 -0.14 0.03 0.00 -0.12 0.00 0.00 57.88 57.85 1u94 h LEU 178 Cb 0.41 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.25 1u94 h LEU 178 CO 0.01 0.27 0.40 0.00 -0.62 0.00 0.00 178.44 178.50 1u94 h ALA 179 N 0.91 0.86 -0.54 1.25 0.00 -0.76 0.26 119.26 121.23 1u94 h ALA 179 Ca 0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1u94 h ALA 179 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1u94 h ALA 179 CO -0.00 0.15 0.11 0.78 0.00 0.00 0.00 179.25 180.29 1u94 h GLY 180 N 0.79 0.95 1.40 0.00 0.00 -1.22 -1.78 103.07 103.21 1u94 h GLY 180 Ca 0.27 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 1u94 h GLY 180 CO -0.11 0.57 -0.33 3.43 0.00 0.00 0.00 176.54 180.10 1u94 h ASN 181 N 0.77 0.70 -0.52 0.19 -0.26 -0.84 -2.40 115.58 113.22 1u94 h ASN 181 Ca 0.17 -0.29 -0.09 0.00 -0.56 0.00 0.00 56.30 55.53 1u94 h ASN 181 Cb 0.37 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.42 1u94 h ASN 181 CO 0.01 0.98 -0.03 -0.07 -1.06 0.00 0.00 177.43 177.25 1u94 h LEU 182 N 0.57 0.93 -0.37 1.61 3.38 -0.83 -2.59 115.31 118.01 1u94 h LEU 182 Ca 0.06 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1u94 h LEU 182 Cb 0.84 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1u94 h LEU 182 CO 0.07 1.03 0.12 0.50 0.09 0.00 0.00 178.44 180.25 1u94 h LYS 183 N 0.80 0.57 -0.56 1.13 3.11 -1.14 0.13 116.57 120.61 1u94 h LYS 183 Ca 0.14 -0.12 -0.02 0.00 -2.81 0.00 0.00 60.65 57.84 1u94 h LYS 183 Cb 0.57 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.69 1u94 h LYS 183 CO 0.03 0.58 0.27 0.37 -2.81 0.00 0.00 179.45 177.89 1u94 h GLN 184 N 0.44 0.79 -0.03 1.90 4.15 -1.36 -2.47 115.11 118.54 1u94 h GLN 184 Ca 0.12 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1u94 h GLN 184 Cb 0.24 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1u94 h GLN 184 CO -0.00 0.61 0.00 -1.13 -1.93 0.00 0.00 178.83 176.38 1u94 n SER 185 N -4.37 2.49 -3.62 -0.69 3.41 -0.98 -4.95 113.62 104.90 1u94 n SER 185 Ca 0.05 -1.83 -0.24 0.00 -0.26 0.00 0.00 58.87 56.59 1u94 n SER 185 Cb 0.13 -0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.15 1u94 n SER 185 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1u94 n ASN 186 N 0.95 -5.71 -4.73 4.04 5.15 -0.13 -4.90 115.26 109.92 1u94 n ASN 186 Ca 0.16 -0.58 -0.35 0.00 -0.60 0.00 0.00 54.58 53.21 1u94 n ASN 186 Cb 0.52 -4.91 -0.08 0.00 -0.53 0.00 0.00 39.78 34.77 1u94 n ASN 186 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1u94 s THR 187 N -3.33 5.40 -0.02 -0.44 2.01 -0.23 -3.33 115.64 115.70 1u94 s THR 187 Ca 0.53 0.19 -0.21 0.00 0.31 0.00 0.00 61.69 62.50 1u94 s THR 187 Cb -0.24 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 1u94 s THR 187 CO 0.74 0.44 0.62 -0.22 -0.69 0.00 0.00 174.62 175.51 1u94 s LEU 188 N 0.36 4.39 -0.08 4.42 2.96 -0.35 -2.13 118.68 128.25 1u94 s LEU 188 Ca 0.08 1.16 0.03 0.00 -0.22 0.00 0.00 54.13 55.17 1u94 s LEU 188 Cb -0.11 -2.95 0.01 0.00 0.50 0.00 0.00 46.19 43.64 1u94 s LEU 188 CO -0.02 0.05 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.69 1u94 s LEU 189 N 0.07 1.73 -0.17 -0.68 0.20 -0.75 -0.37 118.68 118.71 1u94 s LEU 189 Ca 0.32 -0.36 -0.01 0.00 0.69 0.00 0.00 54.13 54.78 1u94 s LEU 189 Cb -0.18 -0.95 -0.00 0.00 -0.43 0.00 0.00 46.19 44.62 1u94 s LEU 189 CO 0.17 0.05 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.53 1u94 s ILE 190 N 0.64 2.90 -0.28 6.68 1.01 0.80 -0.84 121.20 132.11 1u94 s ILE 190 Ca -0.15 -0.68 -0.10 0.00 0.00 0.00 0.00 60.65 59.72 1u94 s ILE 190 Cb -0.16 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1u94 s ILE 190 CO 0.04 0.50 0.17 -0.36 0.00 0.00 0.00 174.94 175.29 1u94 s PHE 191 N 0.92 3.20 0.07 3.97 0.08 0.50 -0.08 117.98 126.63 1u94 s PHE 191 Ca -0.03 -0.04 -0.22 0.00 0.12 0.00 0.00 56.93 56.76 1u94 s PHE 191 Cb -0.15 -2.36 -0.06 0.00 -0.57 0.00 0.00 43.02 39.87 1u94 s PHE 191 CO -0.01 -0.23 0.65 0.42 -0.10 0.00 0.00 175.22 175.95 1u94 s ILE 192 N 1.72 4.71 0.25 0.64 1.01 -0.30 -1.42 121.20 127.81 1u94 s ILE 192 Ca 0.07 1.39 -0.02 0.00 0.00 0.00 0.00 60.65 62.09 1u94 s ILE 192 Cb -0.16 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 1u94 s ILE 192 CO 0.09 0.48 0.28 0.21 0.00 0.00 0.00 174.94 176.00 1u94 s ASN 193 N -0.69 0.48 0.00 3.58 3.84 -0.09 -0.64 114.94 121.42 1u94 s ASN 193 Ca 0.32 -1.38 0.00 0.00 0.21 0.00 0.00 52.86 52.02 1u94 s ASN 193 Cb -0.20 0.49 0.00 0.00 -0.55 0.00 0.00 41.25 40.99 1u94 s ASN 193 CO 0.21 -1.01 0.49 0.00 -2.79 0.00 0.00 177.10 174.00 1u94 n GLN 194 N -0.40 -0.78 -3.93 0.43 6.02 -1.26 -2.64 117.38 114.81 1u94 n GLN 194 Ca 0.02 -0.51 -0.09 0.00 -0.01 0.00 0.00 57.00 56.41 1u94 n GLN 194 Cb 0.64 -0.97 -0.09 0.00 1.02 0.00 0.00 30.24 30.83 1u94 n GLN 194 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1u94 s THR 209 N -0.04 0.14 0.86 5.09 -4.23 -1.26 -4.84 115.64 111.36 1u94 s THR 209 Ca 0.00 -1.11 -0.11 0.00 -1.18 0.00 0.00 61.69 59.29 1u94 s THR 209 Cb 0.00 -0.90 0.11 0.00 1.34 0.00 0.00 72.50 73.05 1u94 s THR 209 CO 0.00 -0.61 1.11 0.42 -0.54 0.00 0.00 174.62 174.99 1u94 s THR 210 N -2.64 2.68 0.00 3.99 -4.23 -1.26 -4.23 115.64 109.96 1u94 s THR 210 Ca -0.05 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 1u94 s THR 210 Cb -0.01 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1u94 s THR 210 CO -0.05 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 1u94 n GLY 211 N -0.54 0.64 1.44 3.99 0.00 -1.26 -4.88 105.19 104.58 1u94 n GLY 211 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1u94 n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u94 n GLY 212 N -1.85 -1.82 0.05 -0.02 0.00 -1.26 -3.96 105.19 96.33 1u94 n GLY 212 Ca 0.00 -1.88 0.11 0.00 0.00 0.00 0.00 46.02 44.26 1u94 n GLY 212 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u94 n ASN 213 N 0.04 0.64 -0.01 1.61 3.02 -1.26 -4.44 115.26 114.87 1u94 n ASN 213 Ca 0.00 -0.05 -0.09 0.00 -0.03 0.00 0.00 54.58 54.40 1u94 n ASN 213 Cb 0.00 0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 39.72 1u94 n ASN 213 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u94 h ALA 214 N 2.48 -0.17 -0.41 5.41 0.00 -1.90 -2.00 119.26 122.67 1u94 h ALA 214 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1u94 h ALA 214 Cb 0.76 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1u94 h ALA 214 CO 0.00 -0.68 0.08 1.25 0.00 0.00 0.00 179.25 179.91 1u94 h LEU 215 N -0.27 0.63 -0.90 0.00 5.85 -1.87 -1.23 115.31 117.51 1u94 h LEU 215 Ca 0.11 -0.25 0.16 0.00 0.84 0.00 0.00 57.88 58.74 1u94 h LEU 215 Cb 0.43 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.20 1u94 h LEU 215 CO -0.31 0.72 0.49 0.50 -0.34 0.00 0.00 178.44 179.49 1u94 h LYS 216 N 0.52 0.64 0.00 1.25 3.64 -1.69 -0.25 116.57 120.68 1u94 h LYS 216 Ca 0.13 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.26 1u94 h LYS 216 Cb 0.34 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 1u94 h LYS 216 CO 0.00 0.43 -1.52 1.19 -2.27 0.00 0.00 179.45 177.28 1u94 n PHE 217 N -4.84 0.99 0.16 1.91 3.72 -0.78 -4.15 117.46 114.47 1u94 n PHE 217 Ca 0.19 0.34 0.08 0.00 -0.05 0.00 0.00 57.45 58.01 1u94 n PHE 217 Cb 0.48 -1.12 0.07 0.00 -0.94 0.00 0.00 39.48 37.97 1u94 n PHE 217 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 1u94 h TYR 218 N 0.00 0.00 -3.85 1.38 0.05 -0.94 -3.46 116.97 110.14 1u94 h TYR 218 Ca -0.21 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.05 1u94 h TYR 218 Cb 1.74 0.00 0.07 0.00 1.01 0.00 0.00 36.73 39.55 1u94 h TYR 218 CO 0.00 0.22 0.67 0.00 -1.05 0.00 0.00 178.16 178.01 1u94 s ALA 219 N -3.12 3.52 -0.22 3.88 0.00 -0.13 -4.61 121.76 121.08 1u94 s ALA 219 Ca 0.04 1.32 0.22 0.00 0.00 0.00 0.00 51.96 53.54 1u94 s ALA 219 Cb 0.07 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1u94 s ALA 219 CO 0.73 -0.72 1.00 0.43 0.00 0.00 0.00 175.76 177.20 1u94 n SER 220 N 0.86 0.81 -3.77 0.00 7.64 0.69 -4.88 113.62 114.98 1u94 n SER 220 Ca 0.01 0.31 -0.13 0.00 1.01 0.00 0.00 58.87 60.08 1u94 n SER 220 Cb 0.41 0.51 -0.12 0.00 -1.01 0.00 0.00 64.21 64.00 1u94 n SER 220 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1u94 s VAL 221 N -3.35 -0.02 -0.07 0.44 1.01 -1.22 -0.33 120.40 116.86 1u94 s VAL 221 Ca -0.01 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1u94 s VAL 221 Cb 0.10 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 36.18 1u94 s VAL 221 CO 0.80 0.02 -0.08 -0.13 0.00 0.00 0.00 175.10 175.71 1u94 s ARG 222 N 0.53 1.34 -0.12 2.72 0.52 -0.58 -1.25 118.95 122.11 1u94 s ARG 222 Ca -0.03 -0.25 0.01 0.00 -0.52 0.00 0.00 55.73 54.94 1u94 s ARG 222 Cb -0.05 -1.26 -0.01 0.00 0.52 0.00 0.00 34.95 34.14 1u94 s ARG 222 CO -0.03 -0.10 -0.16 -0.51 0.02 0.00 0.00 175.30 174.53 1u94 s LEU 223 N 1.09 2.58 -0.35 2.53 1.43 0.92 -1.82 118.68 125.06 1u94 s LEU 223 Ca -0.07 -0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 1u94 s LEU 223 Cb -0.14 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.53 1u94 s LEU 223 CO -0.01 0.18 0.17 -0.62 0.23 0.00 0.00 176.35 176.29 1u94 s ASP 224 N 0.27 5.56 -0.06 2.29 -1.08 -0.11 -0.97 116.67 122.57 1u94 s ASP 224 Ca -0.11 -0.89 0.04 0.00 -0.52 0.00 0.00 52.55 51.07 1u94 s ASP 224 Cb -0.16 -1.98 -0.02 0.00 -1.46 0.00 0.00 42.92 39.30 1u94 s ASP 224 CO 0.06 -0.32 -0.17 -0.51 0.52 0.00 0.00 175.17 174.75 1u94 s ILE 225 N 1.54 2.76 0.04 4.11 2.07 -0.49 -0.23 121.20 130.98 1u94 s ILE 225 Ca 0.02 -0.82 -0.07 0.00 -1.41 0.00 0.00 60.65 58.37 1u94 s ILE 225 Cb -0.19 -2.07 -0.00 0.00 0.13 0.00 0.00 42.46 40.33 1u94 s ILE 225 CO 0.05 0.57 0.14 -0.13 -1.91 0.00 0.00 174.94 173.67 1u94 s ARG 226 N -0.39 0.64 -0.22 3.50 0.52 -0.49 -4.25 118.95 118.27 1u94 s ARG 226 Ca 0.04 -0.70 -0.18 0.00 -0.52 0.00 0.00 55.73 54.36 1u94 s ARG 226 Cb -0.12 0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.58 1u94 s ARG 226 CO 0.02 -0.18 0.52 0.50 0.02 0.00 0.00 175.30 176.18 1u94 s ARG 227 N -2.63 4.15 0.00 3.54 3.52 -1.25 -1.49 118.95 124.79 1u94 s ARG 227 Ca -0.05 0.39 0.10 0.00 -0.13 0.00 0.00 55.73 56.04 1u94 s ARG 227 Cb -0.01 -3.59 0.27 0.00 -1.56 0.00 0.00 34.95 30.07 1u94 s ARG 227 CO -0.04 -0.21 1.22 0.44 -0.81 0.00 0.00 175.30 175.89 1u94 n ILE 228 N 4.74 0.96 0.00 4.11 -5.35 0.40 -4.98 119.36 119.24 1u94 n ILE 228 Ca -0.04 -0.98 0.00 0.00 -0.27 0.00 0.00 62.75 61.46 1u94 n ILE 228 Cb 0.50 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.93 1u94 n ILE 228 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u94 n GLY 229 N 0.44 -0.61 3.74 3.28 0.00 -1.20 -4.92 105.19 105.93 1u94 n GLY 229 Ca 0.11 -1.24 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 1u94 n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u94 s ALA 230 N -2.00 3.40 -0.22 4.61 0.00 -1.26 -0.39 121.76 125.89 1u94 s ALA 230 Ca 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 50.54 1u94 s ALA 230 Cb 0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 1u94 s ALA 230 CO 0.00 0.39 -0.03 0.08 0.00 0.00 0.00 175.76 176.20 1u94 s VAL 231 N -1.93 3.50 0.18 0.00 1.01 -0.55 -4.58 120.40 118.03 1u94 s VAL 231 Ca 0.30 -0.45 0.11 0.00 0.00 0.00 0.00 61.98 61.94 1u94 s VAL 231 Cb -0.09 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1u94 s VAL 231 CO 0.22 0.42 -0.23 -0.54 0.00 0.00 0.00 175.10 174.97 1u94 s LYS 232 N 1.39 1.45 -0.63 2.72 1.02 -1.26 -0.44 119.74 123.99 1u94 s LYS 232 Ca 0.05 -1.48 0.03 0.00 0.02 0.00 0.00 55.97 54.59 1u94 s LYS 232 Cb -0.14 -1.73 0.37 0.00 -0.52 0.00 0.00 37.83 35.80 1u94 s LYS 232 CO -0.02 0.37 1.26 0.39 -0.92 0.00 0.00 175.35 176.43 1u94 n GLU 233 N 0.34 3.56 0.00 1.68 -0.58 0.29 -4.92 120.64 121.00 1u94 n GLU 233 Ca -0.13 -4.55 0.00 0.00 -0.42 0.00 0.00 57.16 52.05 1u94 n GLU 233 Cb 0.56 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 1u94 n GLU 233 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1u94 n GLY 234 N -0.34 1.29 0.00 0.62 0.00 -1.26 -4.14 105.19 101.35 1u94 n GLY 234 Ca 0.39 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1u94 n GLY 234 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u94 n GLU 235 N 0.00 2.85 -3.28 1.61 -0.58 -1.26 -5.02 120.64 114.96 1u94 n GLU 235 Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 1u94 n GLU 235 Cb 0.00 -0.76 -0.06 0.00 -0.57 0.00 0.00 31.44 30.05 1u94 n GLU 235 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1u94 s ASN 236 N -1.48 6.68 -0.16 1.62 0.02 -1.26 -5.05 114.94 115.31 1u94 s ASN 236 Ca 0.00 0.81 -0.26 0.00 -1.02 0.00 0.00 52.86 52.38 1u94 s ASN 236 Cb 0.00 -2.30 -0.01 0.00 0.02 0.00 0.00 41.25 38.96 1u94 s ASN 236 CO 0.00 -0.05 0.88 -0.69 0.02 0.00 0.00 177.10 177.26 1u94 s VAL 237 N 0.88 4.85 0.00 1.60 1.01 -1.26 -0.55 120.40 126.93 1u94 s VAL 237 Ca 0.26 1.75 0.00 0.00 0.00 0.00 0.00 61.98 63.99 1u94 s VAL 237 Cb -0.15 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1u94 s VAL 237 CO 0.11 0.01 0.50 1.33 0.00 0.00 0.00 175.10 177.05 1u94 n VAL 238 N 4.71 0.07 -3.52 2.92 0.24 0.41 -4.97 118.33 118.20 1u94 n VAL 238 Ca 0.06 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1u94 n VAL 238 Cb 0.49 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 1u94 n VAL 238 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u94 n GLY 239 N -0.04 1.06 2.98 7.63 0.00 -1.05 -1.36 105.19 114.42 1u94 n GLY 239 Ca 0.00 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 1u94 n GLY 239 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u94 s SER 240 N -0.70 0.69 -0.10 1.61 0.01 0.46 -1.48 113.70 114.20 1u94 s SER 240 Ca 0.00 -0.15 -0.26 0.00 1.31 0.00 0.00 55.95 56.85 1u94 s SER 240 Cb 0.00 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.14 1u94 s SER 240 CO 0.00 0.04 0.83 -1.61 0.41 0.00 0.00 173.24 172.91 1u94 s GLU 241 N -0.29 4.41 0.15 12.44 0.41 0.47 -1.14 118.70 135.15 1u94 s GLU 241 Ca 0.01 1.08 0.11 0.00 -0.41 0.00 0.00 54.97 55.76 1u94 s GLU 241 Cb -0.03 -3.51 -0.04 0.00 -1.78 0.00 0.00 34.13 28.77 1u94 s GLU 241 CO -0.00 -0.14 -0.25 0.99 -0.49 0.00 0.00 175.26 175.37 1u94 s THR 242 N 1.46 2.35 -0.03 3.63 2.01 0.82 -0.45 115.64 125.43 1u94 s THR 242 Ca 0.42 -1.84 0.00 0.00 0.31 0.00 0.00 61.69 60.57 1u94 s THR 242 Cb -0.18 -2.08 0.03 0.00 0.01 0.00 0.00 72.50 70.28 1u94 s THR 242 CO 0.18 0.01 0.01 -0.60 -0.69 0.00 0.00 174.62 173.53 1u94 s ARG 243 N -2.31 0.23 -0.11 4.92 3.52 -0.56 -1.81 118.95 122.83 1u94 s ARG 243 Ca 0.17 0.12 0.03 0.00 -0.13 0.00 0.00 55.73 55.92 1u94 s ARG 243 Cb -0.09 -0.47 0.00 0.00 -1.56 0.00 0.00 34.95 32.83 1u94 s ARG 243 CO 0.08 -0.17 -0.23 0.08 -0.81 0.00 0.00 175.30 174.25 1u94 s VAL 244 N 1.17 2.03 -0.14 7.11 1.01 0.38 -1.40 120.40 130.57 1u94 s VAL 244 Ca -0.08 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 1u94 s VAL 244 Cb -0.13 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1u94 s VAL 244 CO -0.02 0.55 -0.07 -0.54 0.00 0.00 0.00 175.10 175.02 1u94 s LYS 245 N 0.52 3.53 -0.98 2.72 1.02 0.68 -0.49 119.74 126.74 1u94 s LYS 245 Ca -0.14 -0.57 -0.18 0.00 0.02 0.00 0.00 55.97 55.10 1u94 s LYS 245 Cb -0.17 -2.81 0.13 0.00 -0.52 0.00 0.00 37.83 34.46 1u94 s LYS 245 CO 0.05 0.27 1.20 0.08 -0.92 0.00 0.00 175.35 176.02 1u94 s VAL 246 N 0.26 4.70 -0.04 3.17 1.01 -0.58 -0.94 120.40 127.99 1u94 s VAL 246 Ca -0.05 -1.66 0.27 0.00 0.00 0.00 0.00 61.98 60.53 1u94 s VAL 246 Cb -0.14 -4.82 0.31 0.00 0.00 0.00 0.00 36.38 31.72 1u94 s VAL 246 CO 0.04 -1.56 1.80 -0.37 0.00 0.00 0.00 175.10 175.01 1u94 h VAL 247 N 5.74 0.24 -3.50 2.92 -1.51 -1.67 0.21 116.25 118.68 1u94 h VAL 247 Ca 0.19 -0.95 -0.26 0.00 -1.23 0.00 0.00 66.70 64.44 1u94 h VAL 247 Cb 1.00 1.78 -0.31 0.00 -2.13 0.00 0.00 31.29 31.63 1u94 h VAL 247 CO 1.15 0.11 -0.68 -0.75 -1.23 0.00 0.00 177.57 176.17 1u94 s LYS 248 N -3.49 0.02 -0.23 5.19 2.20 -1.16 -4.68 119.74 117.59 1u94 s LYS 248 Ca 0.03 0.18 -0.05 0.00 -0.36 0.00 0.00 55.97 55.77 1u94 s LYS 248 Cb 0.08 -0.14 0.12 0.00 -1.51 0.00 0.00 37.83 36.38 1u94 s LYS 248 CO 0.62 -0.11 0.42 1.21 -0.36 0.00 0.00 175.35 177.13 1u94 s ASN 249 N 0.72 -0.14 0.00 1.43 3.84 -1.26 -1.52 114.94 118.02 1u94 s ASN 249 Ca -0.06 0.65 0.20 0.00 0.21 0.00 0.00 52.86 53.86 1u94 s ASN 249 Cb -0.08 1.33 0.20 0.00 -0.55 0.00 0.00 41.25 42.15 1u94 s ASN 249 CO -0.03 -0.26 1.16 0.29 -2.79 0.00 0.00 177.10 175.47 1u94 n LYS 250 N 5.38 1.86 -0.00 0.43 4.76 0.54 -4.20 118.16 126.94 1u94 n LYS 250 Ca -0.06 -1.77 0.08 0.00 -2.87 0.00 0.00 58.31 53.69 1u94 n LYS 250 Cb 0.50 -1.39 -0.10 0.00 -1.84 0.00 0.00 35.03 32.20 1u94 n LYS 250 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1u94 n ILE 251 N 1.13 0.00 -3.83 -0.18 -5.35 -1.26 -4.79 119.36 105.08 1u94 n ILE 251 Ca 0.13 -0.19 -0.05 0.00 -0.27 0.00 0.00 62.75 62.36 1u94 n ILE 251 Cb 0.50 0.77 0.01 0.00 -1.74 0.00 0.00 39.64 39.18 1u94 n ILE 251 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1u94 s ALA 252 N -2.65 -1.35 0.28 -1.28 0.00 -1.26 -0.62 121.76 114.88 1u94 s ALA 252 Ca 0.03 -0.35 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 1u94 s ALA 252 Cb 0.11 0.72 -0.11 0.00 0.00 0.00 0.00 23.12 23.84 1u94 s ALA 252 CO 0.65 -1.04 1.61 0.00 0.00 0.00 0.00 175.76 176.99 1u94 s ALA 253 N -2.56 3.77 0.86 0.00 0.00 -1.26 -4.65 121.76 117.92 1u94 s ALA 253 Ca 0.17 1.58 -0.11 0.00 0.00 0.00 0.00 51.96 53.60 1u94 s ALA 253 Cb -0.03 -3.66 0.15 0.00 0.00 0.00 0.00 23.12 19.58 1u94 s ALA 253 CO 0.06 -0.98 1.20 -1.25 0.00 0.00 0.00 175.76 174.79 1u94 s PRO 254 N -0.30 1.22 0.00 0.00 0.04 -1.26 -4.60 135.00 130.10 1u94 s PRO 254 Ca 0.65 -0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1u94 s PRO 254 Cb -0.48 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1u94 s PRO 254 CO 0.46 -1.96 0.00 1.19 0.04 0.00 0.00 177.00 176.73 1u94 n PHE 255 N -3.40 0.00 -1.65 0.56 3.72 0.73 -5.01 117.46 112.40 1u94 n PHE 255 Ca 0.13 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.23 1u94 n PHE 255 Cb 0.60 -0.17 0.06 0.00 -0.94 0.00 0.00 39.48 39.03 1u94 n PHE 255 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1u94 s LYS 256 N -0.15 2.64 0.24 -1.08 1.02 -1.26 -4.74 119.74 116.41 1u94 s LYS 256 Ca 0.00 0.71 0.02 0.00 0.02 0.00 0.00 55.97 56.72 1u94 s LYS 256 Cb 0.00 -1.98 -0.05 0.00 -0.52 0.00 0.00 37.83 35.28 1u94 s LYS 256 CO 0.00 -1.25 0.05 1.14 -0.92 0.00 0.00 175.35 174.37 1u94 s GLN 257 N -5.17 1.35 -0.00 1.68 -2.07 -1.26 -1.53 119.66 112.66 1u94 s GLN 257 Ca 0.59 -1.71 -0.00 0.00 -1.82 0.00 0.00 55.36 52.42 1u94 s GLN 257 Cb -0.13 -0.41 0.00 0.00 -1.09 0.00 0.00 33.01 31.39 1u94 s GLN 257 CO 0.54 -0.20 0.01 0.00 -1.32 0.00 0.00 175.29 174.31 1u94 s ALA 258 N -3.61 0.00 -0.06 2.60 0.00 0.36 -4.74 121.76 116.31 1u94 s ALA 258 Ca 0.33 0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.36 1u94 s ALA 258 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1u94 s ALA 258 CO 0.11 -0.01 -0.17 -1.21 0.00 0.00 0.00 175.76 174.47 1u94 s GLU 259 N 0.12 1.95 0.30 0.00 2.02 -1.26 -0.47 118.70 121.36 1u94 s GLU 259 Ca -0.01 -0.60 -0.20 0.00 0.02 0.00 0.00 54.97 54.18 1u94 s GLU 259 Cb -0.01 -1.63 0.03 0.00 0.10 0.00 0.00 34.13 32.62 1u94 s GLU 259 CO -0.00 0.18 0.76 -0.59 0.02 0.00 0.00 175.26 175.63 1u94 s PHE 260 N 0.25 -0.09 -0.00 1.61 -0.12 -0.75 -4.92 117.98 113.96 1u94 s PHE 260 Ca -0.09 -0.42 0.01 0.00 -0.05 0.00 0.00 56.93 56.38 1u94 s PHE 260 Cb -0.14 0.74 -0.04 0.00 -0.63 0.00 0.00 43.02 42.96 1u94 s PHE 260 CO 0.04 -1.30 0.02 -0.65 -0.05 0.00 0.00 175.22 173.27 1u94 s GLN 261 N -3.38 2.84 -0.24 1.99 -0.21 -1.26 -0.13 119.66 119.27 1u94 s GLN 261 Ca 0.13 -0.59 -0.01 0.00 0.02 0.00 0.00 55.36 54.91 1u94 s GLN 261 Cb -0.05 -2.71 0.03 0.00 1.00 0.00 0.00 33.01 31.28 1u94 s GLN 261 CO 0.08 0.63 -0.09 0.42 -2.12 0.00 0.00 175.29 174.21 1u94 s ILE 262 N -1.11 2.67 -0.13 1.08 1.01 -0.29 -0.45 121.20 123.98 1u94 s ILE 262 Ca 0.20 -1.09 -0.14 0.00 0.00 0.00 0.00 60.65 59.62 1u94 s ILE 262 Cb -0.12 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 1u94 s ILE 262 CO 0.11 0.22 0.32 -0.76 0.00 0.00 0.00 174.94 174.83 1u94 s LEU 263 N 1.29 4.28 0.21 2.97 1.02 0.16 -0.40 118.68 128.21 1u94 s LEU 263 Ca -0.00 0.59 -0.32 0.00 0.02 0.00 0.00 54.13 54.42 1u94 s LEU 263 Cb -0.17 -2.42 -0.14 0.00 0.02 0.00 0.00 46.19 43.49 1u94 s LEU 263 CO -0.06 0.13 1.43 -1.22 0.02 0.00 0.00 176.35 176.65 1u94 n TYR 264 N 3.28 2.10 -0.79 0.29 4.01 -0.46 -0.93 117.16 124.65 1u94 n TYR 264 Ca -0.12 0.42 0.00 0.00 -0.16 0.00 0.00 57.90 58.04 1u94 n TYR 264 Cb 0.52 -2.46 0.00 0.00 -0.31 0.00 0.00 39.34 37.09 1u94 n TYR 264 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u94 n GLY 265 N 2.45 0.55 0.00 2.72 0.00 -1.26 -4.72 105.19 104.93 1u94 n GLY 265 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1u94 n GLY 265 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u94 n GLU 266 N -1.96 1.31 0.00 1.61 1.02 -0.26 -4.89 120.64 117.47 1u94 n GLU 266 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1u94 n GLU 266 Cb 0.01 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 1u94 n GLU 266 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u94 n GLY 267 N 2.61 -1.17 3.71 0.62 0.00 -0.11 -4.73 105.19 106.12 1u94 n GLY 267 Ca 0.00 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 1u94 n GLY 267 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u94 s ILE 268 N 0.00 3.05 -1.29 -0.61 1.01 -1.26 -0.67 121.20 121.43 1u94 s ILE 268 Ca 0.00 0.71 -0.17 0.00 0.00 0.00 0.00 60.65 61.18 1u94 s ILE 268 Cb 0.00 -3.45 0.02 0.00 0.01 0.00 0.00 42.46 39.03 1u94 s ILE 268 CO 0.00 0.04 1.97 -3.20 0.00 0.00 0.00 174.94 173.75 1u94 n ASN 269 N 4.32 4.09 -0.15 3.58 5.15 0.41 -4.77 115.26 127.88 1u94 n ASN 269 Ca 0.13 -2.84 -0.04 0.00 -0.60 0.00 0.00 54.58 51.23 1u94 n ASN 269 Cb 0.41 -1.65 0.05 0.00 -0.53 0.00 0.00 39.78 38.06 1u94 n ASN 269 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1u94 h PHE 270 N 7.21 0.38 -0.01 1.20 3.57 -1.87 -2.40 116.94 125.03 1u94 h PHE 270 Ca 0.47 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.94 1u94 h PHE 270 Cb 0.77 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1u94 h PHE 270 CO 1.40 0.17 -0.24 1.88 -2.23 0.00 0.00 178.31 179.29 1u94 h TYR 271 N 0.42 0.02 -0.57 0.41 0.05 -1.93 -0.73 116.97 114.65 1u94 h TYR 271 Ca 0.22 -0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.91 1u94 h TYR 271 Cb 0.17 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 1u94 h TYR 271 CO -0.12 0.26 0.00 0.78 -1.05 0.00 0.00 178.16 178.03 1u94 h GLY 272 N 0.75 1.05 1.03 3.88 0.00 -1.80 -1.33 103.07 106.65 1u94 h GLY 272 Ca 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.50 1u94 h GLY 272 CO 0.03 0.69 0.01 0.83 0.00 0.00 0.00 176.54 178.10 1u94 h GLU 273 N 0.90 0.92 -0.73 4.80 5.08 -1.01 -2.06 114.58 122.47 1u94 h GLU 273 Ca 0.16 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1u94 h GLU 273 Cb 0.52 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1u94 h GLU 273 CO 0.03 0.94 0.48 1.25 -1.00 0.00 0.00 179.01 180.70 1u94 h LEU 274 N 0.79 0.84 -0.05 1.33 5.85 -0.81 0.71 115.31 123.98 1u94 h LEU 274 Ca 0.15 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1u94 h LEU 274 Cb 0.52 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1u94 h LEU 274 CO 0.03 0.62 0.01 0.58 -0.34 0.00 0.00 178.44 179.33 1u94 h VAL 275 N 0.99 1.20 -0.24 1.05 2.07 -1.12 0.23 116.25 120.43 1u94 h VAL 275 Ca 0.27 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.21 1u94 h VAL 275 Cb -0.11 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1u94 h VAL 275 CO -0.06 0.16 0.10 0.44 0.02 0.00 0.00 177.57 178.24 1u94 h ASP 276 N -0.14 0.14 0.14 0.57 3.32 -1.08 0.52 116.42 119.89 1u94 h ASP 276 Ca 0.02 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 1u94 h ASP 276 Cb 0.25 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1u94 h ASP 276 CO 0.00 0.11 -0.48 -0.07 -1.72 0.00 0.00 179.24 177.09 1u94 h LEU 277 N 0.23 0.42 -0.64 1.55 3.38 -0.85 -0.60 115.31 118.79 1u94 h LEU 277 Ca 0.10 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1u94 h LEU 277 Cb 0.05 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1u94 h LEU 277 CO -0.09 0.83 0.18 1.23 0.09 0.00 0.00 178.44 180.69 1u94 h GLY 278 N 1.20 1.09 0.79 0.83 0.00 -0.13 -0.78 103.07 106.08 1u94 h GLY 278 Ca 0.02 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 46.62 1u94 h GLY 278 CO 0.08 0.62 -0.13 -2.08 0.00 0.00 0.00 176.54 175.03 1u94 h VAL 279 N 0.94 1.32 -0.90 4.60 2.07 -0.74 0.10 116.25 123.64 1u94 h VAL 279 Ca 0.21 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 1u94 h VAL 279 Cb 0.33 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1u94 h VAL 279 CO -0.00 0.37 0.56 0.50 0.02 0.00 0.00 177.57 179.02 1u94 h LYS 280 N 0.09 1.21 -0.35 1.57 3.64 -0.97 -2.15 116.57 119.61 1u94 h LYS 280 Ca 0.04 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1u94 h LYS 280 Cb 0.64 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1u94 h LYS 280 CO 0.04 0.83 0.00 0.39 -2.27 0.00 0.00 179.45 178.44 1u94 n GLU 281 N -4.37 1.63 -1.06 1.90 -0.58 -0.31 -4.89 120.64 112.96 1u94 n GLU 281 Ca 0.10 -0.81 -0.02 0.00 -0.42 0.00 0.00 57.16 56.01 1u94 n GLU 281 Cb 0.05 -1.28 -0.01 0.00 -0.57 0.00 0.00 31.44 29.63 1u94 n GLU 281 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1u94 n LYS 282 N 0.15 -1.39 0.08 3.49 4.76 -0.81 -4.84 118.16 119.60 1u94 n LYS 282 Ca 0.07 0.45 -0.15 0.00 -2.87 0.00 0.00 58.31 55.81 1u94 n LYS 282 Cb 0.25 -4.54 -0.08 0.00 -1.84 0.00 0.00 35.03 28.82 1u94 n LYS 282 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1u94 h LEU 283 N 0.00 0.55 -8.76 -0.35 3.38 -1.11 -3.43 115.31 105.59 1u94 h LEU 283 Ca -0.04 -0.49 -0.64 0.00 0.09 0.00 0.00 57.88 56.80 1u94 h LEU 283 Cb 0.76 -0.17 -0.22 0.00 0.09 0.00 0.00 40.66 41.11 1u94 h LEU 283 CO 0.06 1.32 -0.66 -0.63 0.09 0.00 0.00 178.44 178.62 1u94 s ILE 284 N -3.05 3.99 0.03 1.22 1.01 -0.27 -4.50 121.20 119.63 1u94 s ILE 284 Ca -0.06 -0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 1u94 s ILE 284 Cb 0.08 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 1u94 s ILE 284 CO 0.88 0.44 0.35 -0.70 0.00 0.00 0.00 174.94 175.92 1u94 s GLU 285 N 0.81 3.73 -0.00 2.79 -6.30 0.17 -4.25 118.70 115.65 1u94 s GLU 285 Ca 0.00 0.15 0.03 0.00 -2.50 0.00 0.00 54.97 52.65 1u94 s GLU 285 Cb -0.14 -3.08 0.05 0.00 0.00 0.00 0.00 34.13 30.95 1u94 s GLU 285 CO 0.02 0.63 1.02 0.36 0.02 0.00 0.00 175.26 177.31 1u94 n LYS 286 N 1.26 0.02 -2.09 4.30 2.85 -1.26 0.14 118.16 123.38 1u94 n LYS 286 Ca -0.11 -1.12 -0.31 0.00 -1.05 0.00 0.00 58.31 55.72 1u94 n LYS 286 Cb 0.53 -0.47 -0.01 0.00 -0.65 0.00 0.00 35.03 34.43 1u94 n LYS 286 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1u94 s ALA 287 N -0.04 3.08 0.00 0.58 0.00 -1.26 -4.78 121.76 119.33 1u94 s ALA 287 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1u94 s ALA 287 Cb 0.04 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1u94 s ALA 287 CO -0.02 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1u94 n GLY 288 N -2.23 -0.38 0.20 0.00 0.00 -1.26 -4.00 105.19 97.51 1u94 n GLY 288 Ca 0.06 -1.07 0.12 0.00 0.00 0.00 0.00 46.02 45.14 1u94 n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u94 h ALA 289 N -0.30 1.00 -3.40 4.61 0.00 -1.99 -3.47 119.26 115.71 1u94 h ALA 289 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 1u94 h ALA 289 Cb 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.57 1u94 h ALA 289 CO 0.00 0.00 -0.76 -1.58 0.00 0.00 0.00 179.25 176.91 1u94 s TRP 290 N -3.19 0.99 0.33 0.00 0.52 -1.26 -4.56 118.94 111.77 1u94 s TRP 290 Ca 0.08 -0.44 -0.17 0.00 0.02 0.00 0.00 56.10 55.58 1u94 s TRP 290 Cb 0.07 -0.57 -0.09 0.00 -1.15 0.00 0.00 33.47 31.72 1u94 s TRP 290 CO 0.66 0.00 0.78 0.71 0.02 0.00 0.00 176.95 179.11 1u94 s TYR 291 N -1.20 3.41 0.09 -1.98 1.51 0.28 -4.27 117.35 115.19 1u94 s TYR 291 Ca -0.04 1.32 -0.13 0.00 -1.01 0.00 0.00 57.07 57.21 1u94 s TYR 291 Cb -0.09 -2.61 0.02 0.00 -0.11 0.00 0.00 41.96 39.17 1u94 s TYR 291 CO 0.01 0.10 0.31 -1.54 -1.11 0.00 0.00 175.55 173.33 1u94 s SER 292 N -2.14 -0.10 -0.05 2.29 1.04 0.12 -1.57 113.70 113.29 1u94 s SER 292 Ca 0.54 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1u94 s SER 292 Cb -0.11 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.43 1u94 s SER 292 CO 0.17 -0.74 -0.03 -0.47 0.98 0.00 0.00 173.24 173.15 1u94 s TYR 293 N -3.38 0.71 -1.36 5.02 5.04 -0.66 -0.66 117.35 122.06 1u94 s TYR 293 Ca 0.01 -0.20 -0.01 0.00 -2.44 0.00 0.00 57.07 54.43 1u94 s TYR 293 Cb 0.02 -0.69 0.01 0.00 0.35 0.00 0.00 41.96 41.65 1u94 s TYR 293 CO -0.09 -0.22 0.12 1.63 -1.34 0.00 0.00 175.55 175.65 1u94 n LYS 294 N 4.31 -2.48 -0.51 4.97 4.76 -1.26 -1.14 118.16 126.81 1u94 n LYS 294 Ca -0.21 0.75 0.00 0.00 -2.87 0.00 0.00 58.31 55.98 1u94 n LYS 294 Cb 0.51 -5.41 0.00 0.00 -1.84 0.00 0.00 35.03 28.28 1u94 n LYS 294 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u94 n GLY 295 N -0.99 1.61 3.83 0.72 0.00 -1.26 -5.03 105.19 104.07 1u94 n GLY 295 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1u94 n GLY 295 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u94 s GLU 296 N -0.14 3.73 0.34 1.61 2.12 -0.29 -5.03 118.70 121.04 1u94 s GLU 296 Ca 0.00 -0.05 -0.29 0.00 0.36 0.00 0.00 54.97 55.00 1u94 s GLU 296 Cb 0.00 -3.26 -0.11 0.00 0.26 0.00 0.00 34.13 31.02 1u94 s GLU 296 CO 0.00 0.62 1.52 0.15 -0.54 0.00 0.00 175.26 177.01 1u94 s LYS 297 N -0.62 4.13 0.00 4.30 1.02 -1.26 -1.66 119.74 125.65 1u94 s LYS 297 Ca 0.15 2.55 0.00 0.00 0.02 0.00 0.00 55.97 58.69 1u94 s LYS 297 Cb -0.13 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 1u94 s LYS 297 CO 0.04 -0.55 0.00 0.44 -0.92 0.00 0.00 175.35 174.36 1u94 n ILE 298 N 1.17 0.00 0.00 2.17 -5.35 -0.61 -4.89 119.36 111.85 1u94 n ILE 298 Ca 0.04 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1u94 n ILE 298 Cb 0.39 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.79 1u94 n ILE 298 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u94 n GLY 299 N 1.53 3.01 3.33 3.28 0.00 -1.24 -4.32 105.19 110.78 1u94 n GLY 299 Ca 0.00 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 1u94 n GLY 299 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u94 s GLN 300 N -2.00 2.75 0.00 1.61 -0.21 -1.26 -0.55 119.66 119.99 1u94 s GLN 300 Ca 0.00 -1.30 0.00 0.00 0.02 0.00 0.00 55.36 54.08 1u94 s GLN 300 Cb 0.00 -3.82 0.00 0.00 1.00 0.00 0.00 33.01 30.19 1u94 s GLN 300 CO 0.00 -0.87 0.00 0.41 -2.12 0.00 0.00 175.29 172.71 1u94 n GLY 301 N 5.00 1.75 0.33 3.09 0.00 -1.26 -4.39 105.19 109.71 1u94 n GLY 301 Ca -0.11 -1.71 0.01 0.00 0.00 0.00 0.00 46.02 44.20 1u94 n GLY 301 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1u94 h LYS 302 N 0.00 0.98 0.17 1.61 3.64 -1.98 -1.67 116.57 119.32 1u94 h LYS 302 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1u94 h LYS 302 Cb 0.00 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1u94 h LYS 302 CO 0.00 0.65 -0.16 0.00 -2.27 0.00 0.00 179.45 177.67 1u94 h ALA 303 N 1.41 -0.32 -0.62 5.00 0.00 -1.99 0.17 119.26 122.90 1u94 h ALA 303 Ca 0.38 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1u94 h ALA 303 Cb 0.16 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1u94 h ALA 303 CO -0.17 -0.70 0.18 -0.91 0.00 0.00 0.00 179.25 177.65 1u94 h ASN 304 N -0.35 0.89 -0.39 0.00 -0.26 -1.72 -0.96 115.58 112.78 1u94 h ASN 304 Ca 0.00 -0.16 -0.06 0.00 -0.56 0.00 0.00 56.30 55.52 1u94 h ASN 304 Cb 0.33 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.34 1u94 h ASN 304 CO -0.04 0.84 0.05 0.00 -1.06 0.00 0.00 177.43 177.23 1u94 h ALA 305 N 1.27 1.20 -0.11 -0.83 0.00 -0.95 -0.14 119.26 119.71 1u94 h ALA 305 Ca 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1u94 h ALA 305 Cb 0.28 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1u94 h ALA 305 CO -0.01 0.53 -0.02 1.15 0.00 0.00 0.00 179.25 180.90 1u94 h THR 306 N 0.71 1.29 -0.66 0.00 2.02 -0.07 -2.41 112.91 113.78 1u94 h THR 306 Ca 0.15 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1u94 h THR 306 Cb 0.37 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 1u94 h THR 306 CO 0.01 0.27 0.42 0.00 0.37 0.00 0.00 175.52 176.58 1u94 h ALA 307 N 0.69 1.49 -0.32 6.16 0.00 -0.95 -2.13 119.26 124.20 1u94 h ALA 307 Ca 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1u94 h ALA 307 Cb 0.43 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1u94 h ALA 307 CO 0.01 0.46 0.14 2.35 0.00 0.00 0.00 179.25 182.20 1u94 h TRP 308 N 0.90 0.49 -0.34 0.00 7.01 -0.88 -0.92 115.95 122.20 1u94 h TRP 308 Ca 0.24 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.18 1u94 h TRP 308 Cb -0.07 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 26.83 1u94 h TRP 308 CO 0.00 0.45 0.10 -0.07 -2.79 0.00 0.00 178.44 176.13 1u94 h LEU 309 N 0.38 0.44 -0.81 0.65 3.38 -1.02 0.48 115.31 118.82 1u94 h LEU 309 Ca 0.11 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1u94 h LEU 309 Cb 0.16 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1u94 h LEU 309 CO -0.01 0.44 -0.21 0.50 0.09 0.00 0.00 178.44 179.25 1u94 h LYS 310 N 0.49 0.67 -0.00 1.13 3.64 -0.88 -2.59 116.57 119.03 1u94 h LYS 310 Ca 0.12 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1u94 h LYS 310 Cb 0.17 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1u94 h LYS 310 CO -0.01 0.83 -0.14 -0.25 -2.27 0.00 0.00 179.45 177.61 1u94 n ASP 311 N -4.13 0.16 -3.26 4.20 10.43 -0.40 -4.29 116.55 119.26 1u94 n ASP 311 Ca 0.00 0.23 -0.25 0.00 2.57 0.00 0.00 54.79 57.35 1u94 n ASP 311 Cb 0.41 -0.27 -0.07 0.00 1.84 0.00 0.00 41.12 43.03 1u94 n ASP 311 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1u94 n ASN 312 N -1.47 1.90 -0.34 -2.24 3.02 0.04 -4.97 115.26 111.19 1u94 n ASN 312 Ca 0.07 -3.08 0.20 0.00 -0.03 0.00 0.00 54.58 51.75 1u94 n ASN 312 Cb 0.33 -0.64 0.43 0.00 -0.61 0.00 0.00 39.78 39.29 1u94 n ASN 312 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1u94 h PRO 313 N 3.91 0.48 -0.51 3.52 0.11 -1.74 -1.66 132.00 136.11 1u94 h PRO 313 Ca 0.13 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.23 1u94 h PRO 313 Cb 0.78 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.75 1u94 h PRO 313 CO 0.63 0.32 0.31 0.93 -0.21 0.00 0.00 178.00 179.99 1u94 h GLU 314 N 0.50 0.61 -0.19 1.05 4.39 -1.93 0.38 114.58 119.38 1u94 h GLU 314 Ca 0.65 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 60.15 1u94 h GLU 314 Cb 1.38 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1u94 h GLU 314 CO -0.45 0.40 -0.54 1.15 -1.16 0.00 0.00 179.01 178.41 1u94 h THR 315 N 0.63 1.31 -0.54 1.13 2.02 -1.70 -2.66 112.91 113.10 1u94 h THR 315 Ca 0.20 -1.77 0.03 0.00 0.77 0.00 0.00 66.41 65.64 1u94 h THR 315 Cb -0.00 1.91 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 1u94 h THR 315 CO -0.08 0.55 0.31 0.00 0.37 0.00 0.00 175.52 176.67 1u94 h ALA 316 N 0.58 0.69 -0.83 6.16 0.00 -1.02 -1.03 119.26 123.80 1u94 h ALA 316 Ca -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1u94 h ALA 316 Cb 1.16 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1u94 h ALA 316 CO 0.12 0.00 0.55 0.87 0.00 0.00 0.00 179.25 180.79 1u94 h LYS 317 N 0.61 1.07 -0.54 0.00 1.57 -0.23 -0.55 116.57 118.50 1u94 h LYS 317 Ca 0.22 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1u94 h LYS 317 Cb 0.06 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1u94 h LYS 317 CO -0.12 0.71 0.05 1.49 -0.57 0.00 0.00 179.45 181.01 1u94 h GLU 318 N 1.10 0.91 -0.52 3.15 4.81 -1.04 -1.23 114.58 121.76 1u94 h GLU 318 Ca 0.31 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1u94 h GLU 318 Cb -0.10 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 1u94 h GLU 318 CO -0.08 0.91 0.14 0.82 -0.73 0.00 0.00 179.01 180.07 1u94 h ILE 319 N 0.79 1.24 -0.59 2.32 2.04 -0.81 -1.88 117.51 120.63 1u94 h ILE 319 Ca 0.16 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1u94 h ILE 319 Cb 0.46 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1u94 h ILE 319 CO 0.02 0.31 0.31 -0.08 0.00 0.00 0.00 178.15 178.71 1u94 h GLU 320 N 0.72 0.82 -0.48 2.37 4.81 -0.95 -0.10 114.58 121.78 1u94 h GLU 320 Ca 0.16 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1u94 h GLU 320 Cb 0.32 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1u94 h GLU 320 CO -0.00 0.64 0.22 -0.22 -0.73 0.00 0.00 179.01 178.92 1u94 h LYS 321 N 0.79 0.43 -0.55 1.92 3.64 -1.00 -0.71 116.57 121.09 1u94 h LYS 321 Ca 0.21 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1u94 h LYS 321 Cb 0.06 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1u94 h LYS 321 CO -0.03 0.28 -0.00 0.87 -2.27 0.00 0.00 179.45 178.30 1u94 h LYS 322 N 0.44 0.98 -0.67 1.90 1.57 -0.95 -1.30 116.57 118.54 1u94 h LYS 322 Ca 0.21 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1u94 h LYS 322 Cb 0.15 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1u94 h LYS 322 CO -0.17 0.98 0.43 0.28 -0.57 0.00 0.00 179.45 180.40 1u94 h VAL 323 N 0.86 1.18 -0.66 0.50 2.07 -0.55 -1.08 116.25 118.56 1u94 h VAL 323 Ca 0.16 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 1u94 h VAL 323 Cb 0.54 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1u94 h VAL 323 CO 0.03 0.18 0.09 0.03 0.02 0.00 0.00 177.57 177.92 1u94 h ARG 324 N 0.91 1.11 -0.72 1.57 3.08 -0.96 0.93 114.38 120.29 1u94 h ARG 324 Ca 0.24 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1u94 h ARG 324 Cb -0.08 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 1u94 h ARG 324 CO -0.05 1.02 0.42 0.93 -1.07 0.00 0.00 179.97 181.22 1u94 h GLU 325 N 1.03 0.99 0.09 0.04 5.08 -0.73 -0.36 114.58 120.72 1u94 h GLU 325 Ca 0.20 -0.09 -0.27 0.00 -1.00 0.00 0.00 59.36 58.19 1u94 h GLU 325 Cb 0.46 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1u94 h GLU 325 CO 0.02 0.71 -1.33 -0.07 -1.00 0.00 0.00 179.01 177.33 1u94 h LEU 326 N 1.00 0.29 0.00 1.33 3.38 -0.82 -3.40 115.31 117.08 1u94 h LEU 326 Ca 0.26 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1u94 h LEU 326 Cb -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1u94 h LEU 326 CO -0.05 1.29 -1.19 0.18 0.09 0.00 0.00 178.44 178.76 1u94 n LEU 327 N -3.43 0.26 -4.78 1.67 4.77 0.29 -5.00 117.00 110.77 1u94 n LEU 327 Ca -0.10 -0.21 -0.34 0.00 -0.03 0.00 0.00 56.01 55.33 1u94 n LEU 327 Cb 1.02 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.11 1u94 n LEU 327 CO 0.50 0.06 0.76 -0.76 -1.33 0.00 0.00 177.39 176.63 1u94 s LEU 328 N -3.38 3.68 -1.32 2.23 1.43 -0.16 -4.92 118.68 116.25 1u94 s LEU 328 Ca -0.01 2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 55.04 1u94 s LEU 328 Cb 0.09 -4.57 0.11 0.00 0.03 0.00 0.00 46.19 41.86 1u94 s LEU 328 CO 0.55 -1.22 1.86 -1.20 0.23 0.00 0.00 176.35 176.56 1u94 n SER 329 N -1.50 4.75 -4.41 2.29 7.64 -0.36 -4.94 113.62 117.09 1u94 n SER 329 Ca 0.11 -2.97 -0.22 0.00 1.01 0.00 0.00 58.87 56.79 1u94 n SER 329 Cb 0.51 -1.60 -0.10 0.00 -1.01 0.00 0.00 64.21 62.01 1u94 n SER 329 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1u94 s ASN 330 N 2.53 3.13 0.00 6.43 0.01 -1.26 -3.18 114.94 122.61 1u94 s ASN 330 Ca 0.45 -0.98 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 1u94 s ASN 330 Cb 0.07 -0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.51 1u94 s ASN 330 CO -0.01 -0.02 0.41 -2.65 -1.51 0.00 0.00 177.10 173.32