#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i02 h ASP 6 N 0.00 0.61 0.46 1.09 3.58 -2.05 -2.54 116.42 117.56 2i02 h ASP 6 Ca 0.00 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 2i02 h ASP 6 Cb 0.00 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2i02 h ASP 6 CO 0.00 0.26 -0.22 -0.09 -2.88 0.00 0.00 179.24 176.31 2i02 h ARG 7 N 0.62 -0.59 -0.61 0.28 2.43 -1.98 0.11 114.38 114.64 2i02 h ARG 7 Ca 0.50 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.77 2i02 h ARG 7 Cb 0.95 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 2i02 h ARG 7 CO -0.25 -0.38 0.40 1.79 -1.51 0.00 0.00 179.97 180.02 2i02 h THR 8 N -0.63 1.00 0.87 0.20 1.35 -1.98 -0.34 112.91 113.38 2i02 h THR 8 Ca -0.06 -0.20 -0.04 0.00 -0.55 0.00 0.00 66.41 65.55 2i02 h THR 8 Cb 0.48 0.35 0.01 0.00 -1.73 0.00 0.00 68.15 67.26 2i02 h THR 8 CO 0.10 0.11 -0.42 -0.61 -0.25 0.00 0.00 175.52 174.45 2i02 h GLN 9 N 0.59 -1.13 -0.93 4.72 -0.00 -1.11 -1.86 115.11 115.39 2i02 h GLN 9 Ca 0.26 0.08 0.27 0.00 -0.00 0.00 0.00 58.65 59.26 2i02 h GLN 9 Cb 0.28 0.26 -0.15 0.00 0.00 0.00 0.00 27.48 27.87 2i02 h GLN 9 CO -0.08 -0.75 0.35 0.93 0.00 0.00 0.00 178.83 179.28 2i02 h GLU 10 N -1.30 0.24 -0.37 1.69 5.08 -0.18 0.99 114.58 120.73 2i02 h GLU 10 Ca -0.12 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2i02 h GLU 10 Cb 0.90 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 2i02 h GLU 10 CO 0.20 0.16 -0.02 0.82 -1.00 0.00 0.00 179.01 179.17 2i02 h ILE 11 N 0.24 1.21 -0.32 3.13 2.04 -0.96 -1.09 117.51 121.77 2i02 h ILE 11 Ca 0.62 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 2i02 h ILE 11 Cb 1.32 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 2i02 h ILE 11 CO -0.65 0.30 -0.04 1.56 0.00 0.00 0.00 178.15 179.32 2i02 h GLN 12 N 0.56 0.60 -0.58 2.37 4.20 0.17 -0.67 115.11 121.76 2i02 h GLN 12 Ca 0.11 -0.21 0.03 0.00 0.06 0.00 0.00 58.65 58.64 2i02 h GLN 12 Cb 0.38 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 2i02 h GLN 12 CO 0.01 0.76 0.34 -0.22 -0.67 0.00 0.00 178.83 179.06 2i02 h LYS 13 N 0.39 0.65 -0.67 1.46 1.63 -0.52 0.41 116.57 119.92 2i02 h LYS 13 Ca 0.09 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.87 2i02 h LYS 13 Cb 0.52 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.96 2i02 h LYS 13 CO 0.03 0.43 0.43 1.25 -3.45 0.00 0.00 179.45 178.14 2i02 h LEU 14 N 0.67 0.72 -0.16 5.20 5.85 -1.11 0.31 115.31 126.80 2i02 h LEU 14 Ca 0.24 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.98 2i02 h LEU 14 Cb 0.05 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2i02 h LEU 14 CO -0.12 0.51 -0.04 -0.74 -0.34 0.00 0.00 178.44 177.72 2i02 h HIS 15 N 0.85 -0.08 -0.88 1.25 2.76 -0.48 -2.21 115.15 116.37 2i02 h HIS 15 Ca 0.26 0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.59 2i02 h HIS 15 Cb -0.03 0.06 -0.09 0.00 1.55 0.00 0.00 27.41 28.89 2i02 h HIS 15 CO -0.04 -0.07 0.48 1.49 -1.30 0.00 0.00 177.93 178.49 2i02 h GLU 16 N 0.00 0.66 -0.11 5.26 4.22 -0.28 -2.18 114.58 122.15 2i02 h GLU 16 Ca 0.08 -0.04 -0.03 0.00 0.08 0.00 0.00 59.36 59.45 2i02 h GLU 16 Cb 0.12 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2i02 h GLU 16 CO -0.16 0.44 -0.03 -0.07 -2.18 0.00 0.00 179.01 177.00 2i02 h LEU 17 N 0.68 0.22 -1.00 1.64 3.38 -0.37 -3.37 115.31 116.50 2i02 h LEU 17 Ca 0.48 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2i02 h LEU 17 Cb 0.66 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2i02 h LEU 17 CO -0.35 0.55 -0.19 2.30 0.09 0.00 0.00 178.44 180.83 2i02 n ILE 18 N -4.74 0.00 -0.28 1.22 -5.35 -0.93 -4.65 119.36 104.62 2i02 n ILE 18 Ca -0.06 -0.40 0.10 0.00 -0.27 0.00 0.00 62.75 62.11 2i02 n ILE 18 Cb 0.25 1.18 0.24 0.00 -1.74 0.00 0.00 39.64 39.58 2i02 n ILE 18 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2i02 h LYS 19 N 1.73 0.23 -0.55 6.28 3.64 -1.56 -1.30 116.57 125.04 2i02 h LYS 19 Ca 0.00 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 2i02 h LYS 19 Cb 0.46 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.14 2i02 h LYS 19 CO 0.00 0.15 0.15 0.09 -2.27 0.00 0.00 179.45 177.57 2i02 n ASN 20 N -5.20 4.18 -4.26 4.20 4.13 -1.26 -4.87 115.26 112.18 2i02 n ASN 20 Ca 0.18 -3.28 -0.33 0.00 1.68 0.00 0.00 54.58 52.83 2i02 n ASN 20 Cb 0.59 -0.68 -0.15 0.00 -1.54 0.00 0.00 39.78 38.00 2i02 n ASN 20 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2i02 s ILE 21 N -3.01 2.71 -0.13 2.41 1.01 -0.49 -5.04 121.20 118.66 2i02 s ILE 21 Ca 0.50 -0.75 -0.26 0.00 0.00 0.00 0.00 60.65 60.14 2i02 s ILE 21 Cb 0.41 -2.16 -0.26 0.00 0.01 0.00 0.00 42.46 40.46 2i02 s ILE 21 CO 0.10 0.51 0.72 -2.24 0.00 0.00 0.00 174.94 174.03 2i02 h ASP 22 N 7.46 0.11 -4.03 3.58 -0.00 -1.89 -3.46 116.42 118.18 2i02 h ASP 22 Ca -0.35 -0.93 -0.69 0.00 -0.00 0.00 0.00 57.03 55.06 2i02 h ASP 22 Cb 1.18 -0.03 -0.27 0.00 -0.00 0.00 0.00 39.33 40.20 2i02 h ASP 22 CO 0.58 1.16 -0.82 -0.31 -0.00 0.00 0.00 179.24 179.84 2i02 s TYR 23 N -2.29 2.57 0.00 4.15 2.02 -1.26 -2.66 117.35 119.89 2i02 s TYR 23 Ca -0.19 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.07 2i02 s TYR 23 Cb -0.01 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.92 2i02 s TYR 23 CO 0.71 -0.03 0.00 0.41 -1.57 0.00 0.00 175.55 175.07 2i02 n GLY 24 N 2.69 1.40 3.24 0.71 0.00 -1.26 -4.71 105.19 107.27 2i02 n GLY 24 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.89 2i02 n GLY 24 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2i02 s PHE 26 N 3.49 -0.57 -0.09 1.61 2.19 0.38 -4.27 117.98 120.71 2i02 s PHE 26 Ca 0.00 0.78 0.01 0.00 0.33 0.00 0.00 56.93 58.04 2i02 s PHE 26 Cb 0.00 0.26 -0.02 0.00 -1.31 0.00 0.00 43.02 41.95 2i02 s PHE 26 CO 0.00 -0.30 -0.10 0.99 1.83 0.00 0.00 175.22 177.64 2i02 s THR 27 N 2.66 3.43 0.31 0.12 2.01 0.75 -0.67 115.64 124.25 2i02 s THR 27 Ca -0.00 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 61.48 2i02 s THR 27 Cb -0.08 -2.42 -0.06 0.00 0.01 0.00 0.00 72.50 69.96 2i02 s THR 27 CO -0.14 0.56 0.04 0.42 -0.69 0.00 0.00 174.62 174.80 2i02 s THR 28 N -0.32 1.22 -0.08 -0.82 -4.23 -0.19 -1.88 115.64 109.33 2i02 s THR 28 Ca 0.04 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 58.56 2i02 s THR 28 Cb -0.13 -2.69 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 2i02 s THR 28 CO 0.02 -0.08 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.15 2i02 s VAL 29 N -3.28 2.65 0.55 2.29 1.01 -1.26 -1.43 120.40 120.93 2i02 s VAL 29 Ca 0.35 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.51 2i02 s VAL 29 Cb 0.08 -2.04 0.05 0.00 0.00 0.00 0.00 36.38 34.47 2i02 s VAL 29 CO 0.14 0.56 0.77 -0.62 0.00 0.00 0.00 175.10 175.95 2i02 s ASP 30 N -0.18 5.20 0.57 3.32 -1.08 0.29 -4.70 116.67 120.09 2i02 s ASP 30 Ca -0.02 -0.20 0.28 0.00 -0.52 0.00 0.00 52.55 52.09 2i02 s ASP 30 Cb -0.14 -0.62 1.69 0.00 -1.46 0.00 0.00 42.92 42.40 2i02 s ASP 30 CO 0.03 -1.19 2.21 0.44 0.52 0.00 0.00 175.17 177.19 2i02 h ASP 31 N 0.10 0.00 -0.11 -0.34 3.32 -1.94 -0.07 116.42 117.38 2i02 h ASP 31 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2i02 h ASP 31 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2i02 h ASP 31 CO 0.48 0.03 0.00 -0.90 -1.72 0.00 0.00 179.24 177.13 2i02 n ASP 32 N -3.89 0.97 0.00 6.45 5.68 -1.26 -4.91 116.55 119.59 2i02 n ASP 32 Ca -0.03 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 2i02 n ASP 32 Cb 0.11 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 2i02 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2i02 n GLY 33 N 0.95 1.34 3.83 6.12 0.00 -0.04 -5.04 105.19 112.35 2i02 n GLY 33 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2i02 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2i02 s SER 34 N -3.10 6.73 -0.12 1.61 1.04 -1.26 -4.71 113.70 113.90 2i02 s SER 34 Ca 0.00 1.63 -0.02 0.00 0.48 0.00 0.00 55.95 58.04 2i02 s SER 34 Cb 0.00 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 2i02 s SER 34 CO 0.00 -0.51 -0.05 -0.76 0.98 0.00 0.00 173.24 172.90 2i02 s LEU 35 N -3.69 3.23 -0.00 2.42 1.02 -1.26 -0.55 118.68 119.84 2i02 s LEU 35 Ca 0.60 -0.08 0.05 0.00 0.02 0.00 0.00 54.13 54.72 2i02 s LEU 35 Cb -0.10 -1.75 -0.01 0.00 0.02 0.00 0.00 46.19 44.35 2i02 s LEU 35 CO 0.23 0.25 -0.15 -1.00 0.02 0.00 0.00 176.35 175.70 2i02 s HIS 36 N -0.12 1.35 0.08 0.29 3.76 -0.51 -4.97 115.29 115.16 2i02 s HIS 36 Ca 0.02 -0.27 0.10 0.00 -0.15 0.00 0.00 55.06 54.76 2i02 s HIS 36 Cb -0.13 -0.86 -0.03 0.00 1.11 0.00 0.00 32.58 32.67 2i02 s HIS 36 CO 0.03 -0.01 -0.26 0.45 -0.85 0.00 0.00 174.74 174.09 2i02 s SER 37 N -0.46 3.27 -0.01 1.40 0.15 -1.26 -1.02 113.70 115.77 2i02 s SER 37 Ca 0.05 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.07 2i02 s SER 37 Cb -0.06 -0.29 0.02 0.00 -1.71 0.00 0.00 66.02 63.98 2i02 s SER 37 CO -0.00 0.23 0.02 -0.31 1.20 0.00 0.00 173.24 174.37 2i02 s TYR 38 N -0.91 0.03 1.10 3.44 1.51 0.15 -4.91 117.35 117.77 2i02 s TYR 38 Ca 0.13 0.07 -0.16 0.00 -1.01 0.00 0.00 57.07 56.11 2i02 s TYR 38 Cb -0.10 -0.15 0.24 0.00 -0.11 0.00 0.00 41.96 41.84 2i02 s TYR 38 CO 0.04 -0.06 1.10 -1.25 -1.11 0.00 0.00 175.55 174.27 2i02 s PRO 39 N 0.66 -0.43 -0.09 -1.71 0.04 -1.26 -0.47 135.00 131.73 2i02 s PRO 39 Ca -0.06 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.21 2i02 s PRO 39 Cb -0.08 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 32.82 2i02 s PRO 39 CO -0.02 -3.25 -0.08 0.45 0.04 0.00 0.00 177.00 174.15 2i02 s SER 41 N -3.66 1.89 0.19 6.66 0.15 -1.26 -4.91 113.70 112.76 2i02 s SER 41 Ca 0.68 -0.27 -0.30 0.00 0.70 0.00 0.00 55.95 56.76 2i02 s SER 41 Cb -0.14 -0.76 -0.08 0.00 -1.71 0.00 0.00 66.02 63.32 2i02 s SER 41 CO 0.57 -0.08 0.95 -1.59 1.20 0.00 0.00 173.24 174.30 2i02 s LYS 42 N 1.36 4.78 0.03 5.44 -2.85 -1.09 -4.59 119.74 122.82 2i02 s LYS 42 Ca -0.02 1.48 0.04 0.00 -1.00 0.00 0.00 55.97 56.47 2i02 s LYS 42 Cb -0.14 -3.32 -0.04 0.00 -2.06 0.00 0.00 37.83 32.28 2i02 s LYS 42 CO -0.04 0.38 -0.05 -1.12 0.10 0.00 0.00 175.35 174.62 2i02 s SER 43 N -0.66 4.73 0.12 0.03 0.01 -0.70 -5.03 113.70 112.20 2i02 s SER 43 Ca 0.44 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.54 2i02 s SER 43 Cb -0.25 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 64.87 2i02 s SER 43 CO 0.31 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.83 2i02 n GLY 44 N 1.28 -1.92 0.60 3.44 0.00 -1.26 -4.17 105.19 103.17 2i02 n GLY 44 Ca -0.14 -1.41 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 2i02 n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i02 n ASP 45 N -2.63 1.09 -0.44 1.61 8.00 -1.26 -4.99 116.55 117.92 2i02 n ASP 45 Ca -0.01 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.67 2i02 n ASP 45 Cb 0.18 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 2i02 n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2i02 n GLU 49 N -3.69 0.00 -1.82 -1.24 -0.58 -1.26 -5.06 120.64 106.99 2i02 n GLU 49 Ca -0.20 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.14 2i02 n GLU 49 Cb 0.55 -0.39 -0.01 0.00 -0.57 0.00 0.00 31.44 31.02 2i02 n GLU 49 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i02 n ALA 50 N -2.20 6.56 -3.00 0.62 0.00 -1.26 -4.84 120.51 116.38 2i02 n ALA 50 Ca 0.00 -3.94 -0.11 0.00 0.00 0.00 0.00 53.44 49.39 2i02 n ALA 50 Cb 0.00 -3.11 -0.12 0.00 0.00 0.00 0.00 19.45 16.22 2i02 n ALA 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2i02 s THR 51 N 0.81 0.05 0.18 0.00 2.01 -1.26 -1.48 115.64 115.93 2i02 s THR 51 Ca 0.55 -0.38 0.11 0.00 0.31 0.00 0.00 61.69 62.28 2i02 s THR 51 Cb 0.16 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 72.39 2i02 s THR 51 CO -0.06 -0.21 -0.22 -0.76 -0.69 0.00 0.00 174.62 172.68 2i02 s LEU 52 N -0.65 2.52 -0.02 4.42 1.43 -0.13 -4.97 118.68 121.29 2i02 s LEU 52 Ca -0.07 -0.78 0.03 0.00 -1.03 0.00 0.00 54.13 52.28 2i02 s LEU 52 Cb -0.04 -1.28 -0.00 0.00 0.03 0.00 0.00 46.19 44.89 2i02 s LEU 52 CO 0.00 0.13 -0.11 0.26 0.23 0.00 0.00 176.35 176.86 2i02 s TRP 53 N -1.56 1.11 0.01 0.29 0.52 -1.26 -0.09 118.94 117.96 2i02 s TRP 53 Ca 0.20 -0.25 0.01 0.00 0.02 0.00 0.00 56.10 56.08 2i02 s TRP 53 Cb -0.09 -0.75 -0.01 0.00 -1.15 0.00 0.00 33.47 31.48 2i02 s TRP 53 CO 0.10 -0.07 -0.04 -0.06 0.02 0.00 0.00 176.95 176.90 2i02 s PHE 54 N -0.05 0.38 0.27 -1.98 0.40 -0.41 -1.72 117.98 114.87 2i02 s PHE 54 Ca 0.01 -0.17 -0.29 0.00 -0.60 0.00 0.00 56.93 55.88 2i02 s PHE 54 Cb -0.07 -0.24 -0.09 0.00 0.51 0.00 0.00 43.02 43.12 2i02 s PHE 54 CO 0.00 -0.03 0.95 -0.06 0.70 0.00 0.00 175.22 176.78 2i02 s PHE 55 N -0.41 3.89 0.32 0.36 0.08 -1.26 -0.00 117.98 120.95 2i02 s PHE 55 Ca -0.02 1.87 -0.03 0.00 0.12 0.00 0.00 56.93 58.88 2i02 s PHE 55 Cb -0.04 -2.97 -0.00 0.00 -0.57 0.00 0.00 43.02 39.44 2i02 s PHE 55 CO -0.00 0.36 0.43 -0.08 -0.10 0.00 0.00 175.22 175.82 2i02 s THR 56 N -1.32 0.00 -0.16 0.64 -1.32 -0.31 -4.86 115.64 108.32 2i02 s THR 56 Ca 0.44 -1.64 -0.09 0.00 -1.21 0.00 0.00 61.69 59.19 2i02 s THR 56 Cb -0.24 -2.56 -0.05 0.00 -1.51 0.00 0.00 72.50 68.15 2i02 s THR 56 CO 0.30 0.00 0.14 -0.31 -2.21 0.00 0.00 174.62 172.53 2i02 s TYR 57 N -3.31 3.51 0.32 9.09 2.02 -1.26 -0.77 117.35 126.94 2i02 s TYR 57 Ca 0.31 0.44 0.24 0.00 -0.37 0.00 0.00 57.07 57.69 2i02 s TYR 57 Cb 0.00 -2.06 1.18 0.00 -0.40 0.00 0.00 41.96 40.69 2i02 s TYR 57 CO 0.19 0.51 1.95 0.00 -1.57 0.00 0.00 175.55 176.63 2i02 h ALA 58 N 5.83 1.20 -0.14 3.71 0.00 -1.38 -1.55 119.26 126.93 2i02 h ALA 58 Ca -0.48 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2i02 h ALA 58 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2i02 h ALA 58 CO 0.67 0.24 0.00 0.41 0.00 0.00 0.00 179.25 180.57 2i02 n GLY 59 N -0.37 0.04 3.75 0.00 0.00 -1.26 -4.81 105.19 102.54 2i02 n GLY 59 Ca -0.01 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 2i02 n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2i02 s SER 60 N -1.55 4.58 0.27 1.61 1.04 -0.59 -4.94 113.70 114.13 2i02 s SER 60 Ca 0.31 2.09 -0.01 0.00 0.48 0.00 0.00 55.95 58.82 2i02 s SER 60 Cb 0.16 -2.56 0.36 0.00 0.10 0.00 0.00 66.02 64.09 2i02 s SER 60 CO 0.25 -1.99 1.76 -0.74 0.98 0.00 0.00 173.24 173.50 2i02 h HIS 61 N -0.39 0.77 -0.32 5.02 2.76 -1.93 -2.51 115.15 118.55 2i02 h HIS 61 Ca -0.46 -0.12 -0.00 0.00 -2.20 0.00 0.00 60.37 57.59 2i02 h HIS 61 Cb 1.26 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.99 2i02 h HIS 61 CO 0.53 0.75 0.20 1.57 -1.30 0.00 0.00 177.93 179.68 2i02 h LYS 62 N 0.67 0.43 -0.45 5.26 2.10 -1.94 -1.01 116.57 121.63 2i02 h LYS 62 Ca 0.13 -0.03 -0.13 0.00 -2.00 0.00 0.00 60.65 58.62 2i02 h LYS 62 Cb 0.48 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.71 2i02 h LYS 62 CO 0.02 0.30 -0.22 0.28 -2.00 0.00 0.00 179.45 177.83 2i02 h VAL 63 N 0.44 1.27 -0.64 0.07 2.07 -1.77 -1.02 116.25 116.68 2i02 h VAL 63 Ca 0.12 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 2i02 h VAL 63 Cb -0.02 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2i02 h VAL 63 CO -0.02 0.47 0.29 0.71 0.02 0.00 0.00 177.57 179.04 2i02 h THR 64 N 0.80 1.21 -0.00 2.57 1.35 -1.13 -0.71 112.91 117.00 2i02 h THR 64 Ca 0.10 -0.63 -0.00 0.00 -0.55 0.00 0.00 66.41 65.33 2i02 h THR 64 Cb 0.80 0.41 -0.00 0.00 -1.73 0.00 0.00 68.15 67.64 2i02 h THR 64 CO 0.07 0.26 0.00 -0.33 -0.25 0.00 0.00 175.52 175.27 2i02 h GLU 65 N 0.91 0.00 -0.24 4.72 5.08 -0.94 -3.03 114.58 121.09 2i02 h GLU 65 Ca 0.22 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2i02 h GLU 65 Cb 0.12 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2i02 h GLU 65 CO -0.03 0.16 -0.00 0.82 -1.00 0.00 0.00 179.01 178.96 2i02 h ILE 66 N -0.15 1.15 0.00 3.13 2.04 -0.85 0.13 117.51 122.96 2i02 h ILE 66 Ca 0.00 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 2i02 h ILE 66 Cb 0.15 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2i02 h ILE 66 CO -0.00 0.20 -0.25 -0.33 0.00 0.00 0.00 178.15 177.77 2i02 h GLU 67 N 0.34 0.00 0.01 2.37 4.39 -1.02 -2.84 114.58 117.84 2i02 h GLU 67 Ca 0.08 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.44 2i02 h GLU 67 Cb 0.24 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.83 2i02 h GLU 67 CO 0.01 0.25 -2.07 0.72 -1.16 0.00 0.00 179.01 176.75 2i02 n HIS 68 N -3.90 0.56 -3.64 4.33 8.25 -0.66 -4.80 115.22 115.36 2i02 n HIS 68 Ca -0.02 0.18 -0.29 0.00 -0.26 0.00 0.00 57.72 57.33 2i02 n HIS 68 Cb 0.33 -1.10 -0.14 0.00 1.12 0.00 0.00 29.99 30.20 2i02 n HIS 68 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2i02 s HIS 69 N -2.55 1.21 0.19 4.41 5.65 0.36 -5.02 115.29 119.55 2i02 s HIS 69 Ca -0.12 -1.56 0.22 0.00 0.25 0.00 0.00 55.06 53.86 2i02 s HIS 69 Cb 0.07 -1.40 0.91 0.00 -1.18 0.00 0.00 32.58 30.99 2i02 s HIS 69 CO 0.80 -0.85 1.83 1.05 -0.65 0.00 0.00 174.74 176.92 2i02 h GLU 70 N 7.87 0.00 -6.73 2.88 4.11 -1.75 -3.37 114.58 117.60 2i02 h GLU 70 Ca -0.11 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.79 2i02 h GLU 70 Cb 1.00 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.30 2i02 h GLU 70 CO 0.44 0.26 0.72 -0.65 0.07 0.00 0.00 179.01 179.85 2i02 s GLN 71 N -3.73 4.31 0.23 1.06 1.11 -1.26 -0.75 119.66 120.63 2i02 s GLN 71 Ca -0.00 2.21 0.00 0.00 0.01 0.00 0.00 55.36 57.58 2i02 s GLN 71 Cb 0.11 -3.14 -0.04 0.00 -1.01 0.00 0.00 33.01 28.93 2i02 s GLN 71 CO 0.65 -0.36 0.13 0.14 0.01 0.00 0.00 175.29 175.86 2i02 s VAL 72 N 0.00 0.17 0.01 1.09 -7.23 0.19 -4.61 120.40 110.01 2i02 s VAL 72 Ca 0.58 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.80 2i02 s VAL 72 Cb -0.40 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 33.99 2i02 s VAL 72 CO 0.42 0.00 -0.14 0.21 -0.31 0.00 0.00 175.10 175.28 2i02 s ASN 73 N -3.22 1.65 -0.14 4.85 3.84 -0.79 -2.13 114.94 118.99 2i02 s ASN 73 Ca 0.39 -0.32 0.02 0.00 0.21 0.00 0.00 52.86 53.16 2i02 s ASN 73 Cb 0.07 -0.16 0.01 0.00 -0.55 0.00 0.00 41.25 40.63 2i02 s ASN 73 CO 0.13 0.13 -0.19 -0.69 -2.79 0.00 0.00 177.10 173.69 2i02 s VAL 74 N -0.49 1.84 0.01 -5.21 1.01 0.03 -0.18 120.40 117.42 2i02 s VAL 74 Ca 0.04 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.21 2i02 s VAL 74 Cb -0.06 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2i02 s VAL 74 CO 0.00 0.51 -0.00 -0.94 0.00 0.00 0.00 175.10 174.67 2i02 s SER 75 N 1.04 5.10 -0.10 3.32 1.04 -1.26 -0.40 113.70 122.44 2i02 s SER 75 Ca -0.03 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.38 2i02 s SER 75 Cb -0.15 -1.31 0.02 0.00 0.10 0.00 0.00 66.02 64.68 2i02 s SER 75 CO -0.05 0.27 -0.11 -0.36 0.98 0.00 0.00 173.24 173.96 2i02 s PHE 76 N -1.11 1.62 -0.01 5.02 0.08 -0.01 -4.38 117.98 119.20 2i02 s PHE 76 Ca 0.20 -0.73 0.03 0.00 0.12 0.00 0.00 56.93 56.55 2i02 s PHE 76 Cb -0.12 -1.23 -0.01 0.00 -0.57 0.00 0.00 43.02 41.09 2i02 s PHE 76 CO 0.11 -0.43 -0.11 -1.54 -0.10 0.00 0.00 175.22 173.16 2i02 s SER 77 N 1.14 1.30 -0.30 1.36 1.04 -1.26 -0.51 113.70 116.47 2i02 s SER 77 Ca -0.05 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2i02 s SER 77 Cb -0.14 -0.14 0.14 0.00 0.10 0.00 0.00 66.02 65.97 2i02 s SER 77 CO -0.02 0.13 0.32 -0.55 0.98 0.00 0.00 173.24 174.10 2i02 s SER 78 N -0.27 1.47 0.25 7.02 0.15 0.04 -5.01 113.70 117.34 2i02 s SER 78 Ca 0.04 -0.88 -0.04 0.00 0.70 0.00 0.00 55.95 55.78 2i02 s SER 78 Cb -0.04 0.57 0.46 0.00 -1.71 0.00 0.00 66.02 65.30 2i02 s SER 78 CO -0.00 -0.36 1.73 -0.65 1.20 0.00 0.00 173.24 175.16 2i02 h PRO 79 N 8.03 0.45 -0.33 5.44 0.11 -1.96 -0.57 132.00 143.16 2i02 h PRO 79 Ca -0.09 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 2i02 h PRO 79 Cb 1.08 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 2i02 h PRO 79 CO 0.30 0.29 0.16 0.93 -0.21 0.00 0.00 178.00 179.47 2i02 h GLU 80 N 0.46 0.46 -0.45 1.05 5.08 -1.95 -0.19 114.58 119.04 2i02 h GLU 80 Ca 0.42 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2i02 h GLU 80 Cb 0.63 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2i02 h GLU 80 CO -0.40 0.37 0.00 1.04 -1.00 0.00 0.00 179.01 179.02 2i02 n GLN 81 N -4.42 2.32 -3.77 2.33 6.02 -0.91 -4.97 117.38 113.97 2i02 n GLN 81 Ca 0.02 -2.02 -0.24 0.00 -0.01 0.00 0.00 57.00 54.75 2i02 n GLN 81 Cb 0.12 -1.47 0.02 0.00 1.02 0.00 0.00 30.24 29.92 2i02 n GLN 81 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2i02 n GLN 82 N 1.18 -3.73 -3.63 -1.09 6.02 -0.08 -4.78 117.38 111.27 2i02 n GLN 82 Ca 0.19 0.53 -0.15 0.00 -0.01 0.00 0.00 57.00 57.56 2i02 n GLN 82 Cb 0.51 -4.81 -0.07 0.00 1.02 0.00 0.00 30.24 26.89 2i02 n GLN 82 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2i02 s ARG 83 N -6.13 0.83 -0.04 -1.09 1.70 -0.61 -2.31 118.95 111.29 2i02 s ARG 83 Ca 0.08 0.41 0.01 0.00 -0.47 0.00 0.00 55.73 55.77 2i02 s ARG 83 Cb -0.03 0.39 0.02 0.00 -0.57 0.00 0.00 34.95 34.77 2i02 s ARG 83 CO 0.84 -0.20 -0.04 0.71 -1.08 0.00 0.00 175.30 175.54 2i02 s TYR 84 N -0.58 0.69 -0.06 5.89 1.51 -0.32 -0.78 117.35 123.71 2i02 s TYR 84 Ca -0.07 -0.18 0.02 0.00 -1.01 0.00 0.00 57.07 55.83 2i02 s TYR 84 Cb -0.03 -0.64 0.01 0.00 -0.11 0.00 0.00 41.96 41.19 2i02 s TYR 84 CO 0.05 -0.19 -0.10 0.08 -1.11 0.00 0.00 175.55 174.27 2i02 s VAL 85 N 1.00 0.99 -0.20 0.71 1.01 0.33 -1.09 120.40 123.15 2i02 s VAL 85 Ca -0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 2i02 s VAL 85 Cb -0.14 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 2i02 s VAL 85 CO -0.01 0.32 -0.08 -0.55 0.00 0.00 0.00 175.10 174.79 2i02 s SER 86 N 0.68 4.12 -0.29 3.32 0.15 0.88 -0.83 113.70 121.73 2i02 s SER 86 Ca -0.13 -0.41 -0.04 0.00 0.70 0.00 0.00 55.95 56.08 2i02 s SER 86 Cb -0.15 -1.69 0.03 0.00 -1.71 0.00 0.00 66.02 62.50 2i02 s SER 86 CO 0.03 0.02 0.02 -0.63 1.20 0.00 0.00 173.24 173.87 2i02 s ILE 87 N 1.25 3.29 -0.16 6.45 1.01 0.46 -0.96 121.20 132.53 2i02 s ILE 87 Ca 0.03 -1.10 -0.14 0.00 0.00 0.00 0.00 60.65 59.44 2i02 s ILE 87 Cb -0.14 -2.78 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 2i02 s ILE 87 CO -0.03 0.01 0.32 -0.44 0.00 0.00 0.00 174.94 174.79 2i02 s SER 88 N 1.35 6.45 0.15 3.58 0.01 0.47 -0.79 113.70 124.92 2i02 s SER 88 Ca -0.02 0.52 -0.04 0.00 1.31 0.00 0.00 55.95 57.72 2i02 s SER 88 Cb -0.18 -2.19 0.02 0.00 0.21 0.00 0.00 66.02 63.87 2i02 s SER 88 CO -0.01 0.07 0.28 0.61 0.41 0.00 0.00 173.24 174.60 2i02 n GLY 89 N 3.48 1.95 3.35 3.44 0.00 -0.91 -0.32 105.19 116.18 2i02 n GLY 89 Ca -0.11 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 2i02 n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2i02 s THR 90 N -2.63 2.17 0.11 2.61 -4.23 -0.47 -0.64 115.64 112.56 2i02 s THR 90 Ca 0.08 -1.39 0.10 0.00 -1.18 0.00 0.00 61.69 59.29 2i02 s THR 90 Cb -0.01 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 2i02 s THR 90 CO 0.06 0.36 -0.22 -0.55 -0.54 0.00 0.00 174.62 173.73 2i02 s SER 91 N -1.26 3.63 -0.01 3.99 0.15 0.07 -0.43 113.70 119.83 2i02 s SER 91 Ca 0.12 -0.62 -0.06 0.00 0.70 0.00 0.00 55.95 56.08 2i02 s SER 91 Cb -0.10 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 2i02 s SER 91 CO 0.02 0.19 0.13 0.00 1.20 0.00 0.00 173.24 174.78 2i02 s GLN 92 N -2.01 0.39 -0.02 5.44 -2.07 -0.27 -4.80 119.66 116.32 2i02 s GLN 92 Ca 0.16 -0.24 -0.30 0.00 -1.82 0.00 0.00 55.36 53.16 2i02 s GLN 92 Cb -0.10 0.16 -0.03 0.00 -1.09 0.00 0.00 33.01 31.95 2i02 s GLN 92 CO 0.08 -0.08 1.01 -1.17 -1.32 0.00 0.00 175.29 173.80 2i02 s LEU 93 N -0.98 4.34 -0.07 2.60 2.96 -1.26 -1.02 118.68 125.25 2i02 s LEU 93 Ca -0.11 1.67 0.04 0.00 -0.22 0.00 0.00 54.13 55.51 2i02 s LEU 93 Cb -0.06 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.07 2i02 s LEU 93 CO 0.01 -0.32 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.84 2i02 s VAL 94 N 1.25 1.62 -0.41 1.68 1.01 0.77 -4.96 120.40 121.37 2i02 s VAL 94 Ca 0.52 -0.78 0.13 0.00 0.00 0.00 0.00 61.98 61.85 2i02 s VAL 94 Cb -0.21 -1.41 0.38 0.00 0.00 0.00 0.00 36.38 35.14 2i02 s VAL 94 CO 0.26 0.46 1.30 0.29 0.00 0.00 0.00 175.10 177.41 2i02 n LYS 95 N 3.44 2.73 -2.05 2.72 5.02 -1.26 -1.18 118.16 127.58 2i02 n LYS 95 Ca -0.20 -2.42 -0.42 0.00 -2.02 0.00 0.00 58.31 53.24 2i02 n LYS 95 Cb 0.52 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.97 2i02 n LYS 95 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2i02 s ASP 96 N -1.64 5.89 0.35 4.39 -1.08 -1.26 -4.91 116.67 118.42 2i02 s ASP 96 Ca 0.31 1.14 0.05 0.00 -0.52 0.00 0.00 52.55 53.52 2i02 s ASP 96 Cb 0.23 -2.53 0.67 0.00 -1.46 0.00 0.00 42.92 39.83 2i02 s ASP 96 CO 0.10 -1.74 1.92 0.03 0.52 0.00 0.00 175.17 176.00 2i02 h ARG 97 N 12.77 0.54 -0.30 4.34 2.47 -2.00 -2.67 114.38 129.53 2i02 h ARG 97 Ca -0.32 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.29 2i02 h ARG 97 Cb 1.16 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.37 2i02 h ARG 97 CO 1.06 0.51 0.11 -0.91 0.56 0.00 0.00 179.97 181.29 2i02 h ASN 98 N 0.53 0.42 0.00 7.04 2.35 -2.04 -1.02 115.58 122.86 2i02 h ASN 98 Ca 0.12 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2i02 h ASN 98 Cb 0.22 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2i02 h ASN 98 CO -0.00 0.49 0.00 1.17 -1.65 0.00 0.00 177.43 177.43 2i02 n LYS 99 N -4.72 0.11 0.00 0.81 3.00 -1.01 -0.91 118.16 115.44 2i02 n LYS 99 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2i02 n LYS 99 Cb 0.14 -1.42 0.00 0.00 0.00 0.00 0.00 35.03 33.75 2i02 n LYS 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2i02 n ARG 101 N 0.92 0.00 -0.36 1.64 1.74 -0.39 -0.72 116.66 119.49 2i02 n ARG 101 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 2i02 n ARG 101 Cb 0.06 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.61 2i02 n ARG 101 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2i02 h GLU 102 N 0.00 1.25 0.00 5.56 4.81 -1.29 -3.20 114.58 121.71 2i02 h GLU 102 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2i02 h GLU 102 Cb 0.00 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.10 2i02 h GLU 102 CO 0.00 0.83 -1.20 1.28 -0.73 0.00 0.00 179.01 179.19 2i02 n LEU 103 N -4.43 0.59 -4.71 1.64 4.77 0.10 -4.96 117.00 110.00 2i02 n LEU 103 Ca 0.12 0.13 -0.43 0.00 -0.03 0.00 0.00 56.01 55.80 2i02 n LEU 103 Cb 0.04 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 2i02 n LEU 103 CO 0.36 -0.06 1.04 1.87 -1.33 0.00 0.00 177.39 179.27 2i02 n TRP 104 N -2.31 2.45 -4.25 -1.77 -0.00 -1.21 -4.51 117.44 105.83 2i02 n TRP 104 Ca 0.00 0.43 -0.18 0.00 -0.00 0.00 0.00 57.50 57.75 2i02 n TRP 104 Cb 0.51 -2.48 -0.13 0.00 -0.00 0.00 0.00 31.31 29.21 2i02 n TRP 104 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 177.69 176.10 2i02 s LYS 105 N -1.11 0.80 0.50 5.87 -2.85 -1.26 -5.04 119.74 116.65 2i02 s LYS 105 Ca 0.61 -0.73 0.24 0.00 -1.00 0.00 0.00 55.97 55.09 2i02 s LYS 105 Cb -0.57 -0.76 1.32 0.00 -2.06 0.00 0.00 37.83 35.77 2i02 s LYS 105 CO 0.55 0.18 1.95 -1.35 0.10 0.00 0.00 175.35 176.78 2i02 h PRO 106 N 4.86 0.11 -0.08 1.78 0.11 -2.03 -1.35 132.00 135.39 2i02 h PRO 106 Ca -0.37 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.76 2i02 h PRO 106 Cb 1.19 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2i02 h PRO 106 CO 0.43 0.07 0.07 0.93 -0.21 0.00 0.00 178.00 179.30 2i02 h GLU 107 N 0.12 0.00 0.00 1.05 3.07 -2.02 -2.26 114.58 114.54 2i02 h GLU 107 Ca 0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 2i02 h GLU 107 Cb 1.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 2i02 h GLU 107 CO -0.04 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.85 2i02 n LEU 108 N -4.21 0.33 0.32 1.33 4.77 -0.51 -2.86 117.00 116.17 2i02 n LEU 108 Ca -0.01 0.58 0.19 0.00 -0.03 0.00 0.00 56.01 56.75 2i02 n LEU 108 Cb 0.18 -0.54 1.07 0.00 -2.33 0.00 0.00 43.42 41.80 2i02 n LEU 108 CO 0.31 -0.40 1.15 -0.61 -1.33 0.00 0.00 177.39 176.51 2i02 h GLN 109 N 0.00 0.00 -0.78 3.23 4.15 -1.57 -0.03 115.11 120.10 2i02 h GLN 109 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.53 2i02 h GLN 109 Cb 0.31 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.92 2i02 h GLN 109 CO 0.00 0.01 0.41 1.15 -1.93 0.00 0.00 178.83 178.47 2i02 h THR 110 N 0.00 0.83 0.00 2.39 2.02 -1.77 -2.68 112.91 113.70 2i02 h THR 110 Ca -0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2i02 h THR 110 Cb 0.04 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 2i02 h THR 110 CO 0.00 0.12 -1.08 0.79 0.37 0.00 0.00 175.52 175.72 2i02 n TRP 111 N -4.83 0.00 -3.43 3.16 8.01 -0.58 -4.70 117.44 115.06 2i02 n TRP 111 Ca 0.13 0.00 -0.26 0.00 -1.31 0.00 0.00 57.50 56.06 2i02 n TRP 111 Cb 0.32 -0.10 -0.09 0.00 -2.01 0.00 0.00 31.31 29.43 2i02 n TRP 111 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2i02 n PHE 112 N -1.59 0.98 -0.36 -5.99 3.72 -0.13 -5.03 117.46 109.06 2i02 n PHE 112 Ca 0.02 -3.75 0.06 0.00 -0.05 0.00 0.00 57.45 53.73 2i02 n PHE 112 Cb 0.33 -0.26 0.23 0.00 -0.94 0.00 0.00 39.48 38.83 2i02 n PHE 112 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2i02 h PRO 113 N 4.79 1.01 -0.25 -1.08 0.11 -1.75 0.18 132.00 135.01 2i02 h PRO 113 Ca 0.17 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2i02 h PRO 113 Cb 0.82 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.70 2i02 h PRO 113 CO 0.56 0.67 0.00 1.63 -0.21 0.00 0.00 178.00 180.65 2i02 n LYS 114 N -4.59 1.59 0.00 1.05 5.02 -1.26 -4.97 118.16 115.00 2i02 n LYS 114 Ca 0.18 -0.91 0.00 0.00 -2.02 0.00 0.00 58.31 55.56 2i02 n LYS 114 Cb 0.32 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 2i02 n LYS 114 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2i02 n GLY 115 N 0.92 3.03 0.00 0.72 0.00 0.63 -1.32 105.19 109.17 2i02 n GLY 115 Ca 0.09 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.04 2i02 n GLY 115 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2i02 n LEU 116 N 0.00 0.00 -0.25 0.99 4.77 -1.26 -1.59 117.00 119.66 2i02 n LEU 116 Ca 0.00 0.44 0.15 0.00 -0.03 0.00 0.00 56.01 56.56 2i02 n LEU 116 Cb 0.00 -0.44 0.69 0.00 -2.33 0.00 0.00 43.42 41.34 2i02 n LEU 116 CO 0.00 -0.15 0.95 0.47 -1.33 0.00 0.00 177.39 177.33 2i02 n ASP 117 N -1.44 0.81 -4.68 -1.43 8.00 -0.43 -4.87 116.55 112.51 2i02 n ASP 117 Ca 0.06 -1.18 -0.46 0.00 0.71 0.00 0.00 54.79 53.92 2i02 n ASP 117 Cb 0.21 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.26 2i02 n ASP 117 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2i02 n GLU 118 N -0.42 2.27 0.26 -1.24 -0.58 -0.62 -4.87 120.64 115.44 2i02 n GLU 118 Ca 0.20 0.83 0.10 0.00 -0.42 0.00 0.00 57.16 57.86 2i02 n GLU 118 Cb 0.26 -2.64 0.68 0.00 -0.57 0.00 0.00 31.44 29.16 2i02 n GLU 118 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2i02 h PRO 119 N 7.50 0.00 -0.36 3.49 0.13 -1.91 -3.09 132.00 137.77 2i02 h PRO 119 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2i02 h PRO 119 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2i02 h PRO 119 CO 0.92 0.10 0.00 -3.47 -0.23 0.00 0.00 178.00 175.32 2i02 n ASP 120 N -4.07 3.11 -4.77 1.44 2.03 -1.26 -5.01 116.55 108.02 2i02 n ASP 120 Ca -0.02 -2.12 -0.39 0.00 0.52 0.00 0.00 54.79 52.78 2i02 n ASP 120 Cb 0.18 -0.28 -0.05 0.00 -0.72 0.00 0.00 41.12 40.26 2i02 n ASP 120 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2i02 s ILE 121 N -1.22 3.66 0.18 5.18 2.07 -1.17 -0.98 121.20 128.93 2i02 s ILE 121 Ca 0.27 1.53 -0.03 0.00 -1.41 0.00 0.00 60.65 61.01 2i02 s ILE 121 Cb 0.15 -3.92 0.01 0.00 0.13 0.00 0.00 42.46 38.84 2i02 s ILE 121 CO 0.16 0.26 0.29 0.00 -1.91 0.00 0.00 174.94 173.74 2i02 n ALA 122 N 0.81 -0.43 -2.37 1.50 0.00 0.05 -4.82 120.51 115.26 2i02 n ALA 122 Ca 0.01 -0.72 -0.30 0.00 0.00 0.00 0.00 53.44 52.43 2i02 n ALA 122 Cb 0.47 0.58 -0.14 0.00 0.00 0.00 0.00 19.45 20.36 2i02 n ALA 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2i02 s LEU 123 N 0.00 2.24 -0.21 0.00 1.43 -0.32 -1.16 118.68 120.65 2i02 s LEU 123 Ca 0.12 -0.65 -0.07 0.00 -1.03 0.00 0.00 54.13 52.50 2i02 s LEU 123 Cb -0.01 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 2i02 s LEU 123 CO 0.08 0.23 0.05 -0.76 0.23 0.00 0.00 176.35 176.18 2i02 s LEU 124 N -1.57 3.48 -0.19 1.79 1.43 1.00 -0.17 118.68 124.46 2i02 s LEU 124 Ca 0.13 -0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 2i02 s LEU 124 Cb -0.10 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 2i02 s LEU 124 CO 0.04 0.05 0.16 -0.75 0.23 0.00 0.00 176.35 176.08 2i02 s LYS 125 N 1.08 4.16 -0.29 1.70 2.20 -0.19 -1.28 119.74 127.12 2i02 s LYS 125 Ca 0.03 -0.16 -0.03 0.00 -0.36 0.00 0.00 55.97 55.46 2i02 s LYS 125 Cb -0.14 -3.41 0.04 0.00 -1.51 0.00 0.00 37.83 32.81 2i02 s LYS 125 CO 0.03 0.32 -0.00 0.08 -0.36 0.00 0.00 175.35 175.41 2i02 s VAL 126 N 0.30 3.11 -0.32 4.02 1.01 0.86 -1.11 120.40 128.27 2i02 s VAL 126 Ca 0.10 -1.18 -0.29 0.00 0.00 0.00 0.00 61.98 60.60 2i02 s VAL 126 Cb -0.11 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.58 2i02 s VAL 126 CO -0.01 0.00 1.08 0.20 0.00 0.00 0.00 175.10 176.38 2i02 s ASN 127 N 1.31 6.92 0.01 3.32 -0.87 0.43 -0.95 114.94 125.12 2i02 s ASN 127 Ca -0.03 1.04 -0.28 0.00 -1.57 0.00 0.00 52.86 52.02 2i02 s ASN 127 Cb -0.18 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.25 38.46 2i02 s ASN 127 CO -0.01 -0.89 0.90 -0.63 -2.57 0.00 0.00 177.10 173.90 2i02 s ILE 128 N 3.69 4.82 -0.22 0.60 1.01 -0.55 -1.37 121.20 129.18 2i02 s ILE 128 Ca 0.46 1.91 -0.04 0.00 0.00 0.00 0.00 60.65 62.98 2i02 s ILE 128 Cb -0.12 -4.25 -0.12 0.00 0.01 0.00 0.00 42.46 37.98 2i02 s ILE 128 CO 0.16 0.23 -0.23 0.59 0.00 0.00 0.00 174.94 175.69 2i02 n ASN 129 N 3.55 2.05 -3.78 3.58 5.03 0.57 -4.67 115.26 121.59 2i02 n ASN 129 Ca 0.03 0.04 -0.13 0.00 0.87 0.00 0.00 54.58 55.40 2i02 n ASN 129 Cb 0.51 -0.47 -0.11 0.00 -1.02 0.00 0.00 39.78 38.69 2i02 n ASN 129 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 2i02 s GLN 130 N -2.42 0.38 -0.12 3.52 0.74 -0.68 -1.13 119.66 119.95 2i02 s GLN 130 Ca -0.30 0.29 0.02 0.00 0.05 0.00 0.00 55.36 55.43 2i02 s GLN 130 Cb 0.09 0.18 0.01 0.00 1.10 0.00 0.00 33.01 34.39 2i02 s GLN 130 CO 0.45 -0.06 -0.19 0.08 -0.55 0.00 0.00 175.29 175.03 2i02 s VAL 131 N -0.09 1.77 -0.12 1.34 1.01 0.38 -0.40 120.40 124.30 2i02 s VAL 131 Ca -0.02 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2i02 s VAL 131 Cb -0.03 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 2i02 s VAL 131 CO 0.01 0.49 -0.14 0.20 0.00 0.00 0.00 175.10 175.66 2i02 s ASN 132 N 0.87 3.92 0.04 3.32 0.01 -0.14 -0.41 114.94 122.55 2i02 s ASN 132 Ca -0.08 -0.33 -0.00 0.00 -0.71 0.00 0.00 52.86 51.74 2i02 s ASN 132 Cb -0.15 -1.49 -0.03 0.00 0.41 0.00 0.00 41.25 39.99 2i02 s ASN 132 CO -0.01 0.19 -0.04 -0.72 -1.51 0.00 0.00 177.10 175.01 2i02 s TYR 133 N 0.20 0.44 -0.12 2.20 1.13 -0.24 -0.09 117.35 120.87 2i02 s TYR 133 Ca -0.09 -0.77 -0.00 0.00 -1.41 0.00 0.00 57.07 54.80 2i02 s TYR 133 Cb -0.15 -0.31 0.03 0.00 -1.10 0.00 0.00 41.96 40.43 2i02 s TYR 133 CO 0.05 -0.26 -0.07 -1.58 -2.51 0.00 0.00 175.55 171.19 2i02 s TRP 134 N -2.59 1.50 0.29 -3.49 0.51 -0.25 -0.58 118.94 114.33 2i02 s TRP 134 Ca -0.04 -0.79 -0.09 0.00 -2.12 0.00 0.00 56.10 53.06 2i02 s TRP 134 Cb -0.02 -1.24 0.00 0.00 -0.81 0.00 0.00 33.47 31.41 2i02 s TRP 134 CO -0.05 -0.53 0.49 0.16 -0.51 0.00 0.00 176.95 176.51 2i02 s ASP 135 N 1.70 0.27 0.35 2.95 1.47 -1.26 -1.17 116.67 120.98 2i02 s ASP 135 Ca 0.04 -1.16 0.06 0.00 1.18 0.00 0.00 52.55 52.67 2i02 s ASP 135 Cb -0.13 0.63 0.72 0.00 -0.34 0.00 0.00 42.92 43.80 2i02 s ASP 135 CO -0.08 -1.23 1.94 0.77 0.68 0.00 0.00 175.17 177.24 2i02 h SER 136 N 2.20 0.70 -0.79 2.11 4.64 -1.76 0.52 113.55 121.17 2i02 h SER 136 Ca -0.28 0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.09 2i02 h SER 136 Cb 1.25 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 63.15 2i02 h SER 136 CO 0.38 0.44 0.52 0.71 -0.87 0.00 0.00 176.83 178.00 2i02 h THR 137 N 0.79 1.11 -0.29 2.95 1.35 -1.96 -2.28 112.91 114.57 2i02 h THR 137 Ca 0.35 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 2i02 h THR 137 Cb 0.33 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.83 2i02 h THR 137 CO -0.13 0.17 0.00 -1.54 -0.25 0.00 0.00 175.52 173.78 2i02 n SER 138 N -4.45 1.69 -3.12 5.36 3.41 -0.33 -4.88 113.62 111.30 2i02 n SER 138 Ca 0.10 -1.95 -0.19 0.00 -0.26 0.00 0.00 58.87 56.58 2i02 n SER 138 Cb 0.13 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 63.88 2i02 n SER 138 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2i02 n SER 139 N 0.41 -3.35 -1.86 4.04 7.64 -0.86 -1.68 113.62 117.96 2i02 n SER 139 Ca 0.12 -0.20 -0.20 0.00 1.01 0.00 0.00 58.87 59.60 2i02 n SER 139 Cb 0.28 -2.81 -0.06 0.00 -1.01 0.00 0.00 64.21 60.61 2i02 n SER 139 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2i02 n PHE 140 N -3.66 -0.41 -3.64 1.43 3.72 0.02 -4.97 117.46 109.96 2i02 n PHE 140 Ca -0.04 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.04 2i02 n PHE 140 Cb 0.55 -3.50 -0.05 0.00 -0.94 0.00 0.00 39.48 35.54 2i02 n PHE 140 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2i02 s LYS 141 N -4.14 3.67 0.07 -1.08 3.01 -0.68 -4.78 119.74 115.81 2i02 s LYS 141 Ca 0.00 0.01 -0.31 0.00 -1.01 0.00 0.00 55.97 54.66 2i02 s LYS 141 Cb 0.00 -2.90 -0.08 0.00 -1.01 0.00 0.00 37.83 33.84 2i02 s LYS 141 CO 0.00 0.50 1.56 -1.25 0.51 0.00 0.00 175.35 176.68 2i02 s PRO 142 N -2.35 4.23 0.14 -1.68 0.04 -1.26 -4.64 135.00 129.48 2i02 s PRO 142 Ca 0.38 2.23 0.08 0.00 0.04 0.00 0.00 61.00 63.73 2i02 s PRO 142 Cb -0.13 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 2i02 s PRO 142 CO 0.22 -0.65 -0.12 -0.65 0.04 0.00 0.00 177.00 175.83 2i02 s GLN 143 N 2.23 1.99 -0.00 4.56 -1.52 0.26 -4.96 119.66 122.22 2i02 s GLN 143 Ca 0.70 -1.18 0.02 0.00 -1.95 0.00 0.00 55.36 52.95 2i02 s GLN 143 Cb -0.38 -2.18 -0.01 0.00 -0.22 0.00 0.00 33.01 30.22 2i02 s GLN 143 CO 0.31 0.47 -0.07 0.99 -0.25 0.00 0.00 175.29 176.73 2i02 s THR 144 N -1.41 0.57 -0.08 -0.19 2.01 -1.26 -1.08 115.64 114.20 2i02 s THR 144 Ca 0.22 -0.36 0.04 0.00 0.31 0.00 0.00 61.69 61.89 2i02 s THR 144 Cb -0.10 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 71.93 2i02 s THR 144 CO 0.13 0.12 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.35 2i02 s ILE 145 N -0.25 1.72 -0.04 1.82 1.01 0.45 -4.99 121.20 120.90 2i02 s ILE 145 Ca 0.02 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.89 2i02 s ILE 145 Cb -0.03 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 2i02 s ILE 145 CO -0.00 0.48 -0.21 -0.44 0.00 0.00 0.00 174.94 174.77 2i02 s SER 146 N 0.32 2.58 0.00 3.58 0.01 -1.26 -0.47 113.70 118.45 2i02 s SER 146 Ca -0.14 -0.42 0.09 0.00 1.31 0.00 0.00 55.95 56.79 2i02 s SER 146 Cb -0.16 -0.63 0.07 0.00 0.21 0.00 0.00 66.02 65.51 2i02 s SER 146 CO 0.06 0.21 0.78 0.49 0.41 0.00 0.00 173.24 175.19