#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f99 h GLU 3 N 0.00 0.09 -0.15 -1.46 5.08 -2.01 -2.50 114.58 113.63 2f99 h GLU 3 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2f99 h GLU 3 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2f99 h GLU 3 CO 0.00 0.50 0.05 1.96 -1.00 0.00 0.00 179.01 180.51 2f99 h GLN 4 N 0.08 0.23 -0.55 2.33 4.20 -1.99 -1.19 115.11 118.22 2f99 h GLN 4 Ca 0.01 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2f99 h GLN 4 Cb 0.77 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 2f99 h GLN 4 CO 0.06 0.36 0.06 0.82 -0.67 0.00 0.00 178.83 179.46 2f99 h ILE 5 N 0.06 1.24 -0.41 2.54 2.04 -1.96 -1.52 117.51 119.49 2f99 h ILE 5 Ca 0.05 -0.96 0.04 0.00 1.00 0.00 0.00 64.86 64.98 2f99 h ILE 5 Cb 0.22 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 2f99 h ILE 5 CO -0.00 0.35 0.20 0.00 0.00 0.00 0.00 178.15 178.69 2f99 h ALA 6 N 1.23 0.51 -0.46 1.87 0.00 -1.34 -0.92 119.26 120.15 2f99 h ALA 6 Ca 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2f99 h ALA 6 Cb 0.40 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2f99 h ALA 6 CO 0.01 -0.17 0.25 0.00 0.00 0.00 0.00 179.25 179.35 2f99 h ALA 7 N 1.23 0.59 -0.75 0.00 0.00 -0.71 -1.29 119.26 118.33 2f99 h ALA 7 Ca 0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2f99 h ALA 7 Cb 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2f99 h ALA 7 CO -0.14 0.11 0.33 0.28 0.00 0.00 0.00 179.25 179.84 2f99 h VAL 8 N 0.61 1.24 -0.34 0.00 2.07 -1.09 -1.16 116.25 117.57 2f99 h VAL 8 Ca 0.16 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 2f99 h VAL 8 Cb 0.05 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 2f99 h VAL 8 CO -0.03 0.30 -0.03 0.03 0.02 0.00 0.00 177.57 177.87 2f99 h ARG 9 N 1.07 0.54 -0.56 1.57 3.08 -0.72 -0.38 114.38 118.98 2f99 h ARG 9 Ca 0.26 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 2f99 h ARG 9 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2f99 h ARG 9 CO -0.03 0.59 0.07 0.00 -1.07 0.00 0.00 179.97 179.53 2f99 h ARG 10 N 0.52 0.95 -0.19 0.04 3.08 -0.73 -1.55 114.38 116.49 2f99 h ARG 10 Ca 0.11 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 59.92 2f99 h ARG 10 Cb 0.37 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 2f99 h ARG 10 CO 0.02 0.92 -0.00 1.98 -1.07 0.00 0.00 179.97 181.81 2f99 h MET 11 N 0.84 0.06 -0.56 0.04 4.05 -0.69 -1.38 114.93 117.28 2f99 h MET 11 Ca 0.17 -0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.63 2f99 h MET 11 Cb 0.44 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.18 2f99 h MET 11 CO 0.01 0.04 0.31 0.28 0.23 0.00 0.00 176.91 177.78 2f99 h VAL 12 N 0.06 0.99 -0.35 -5.77 2.07 -0.97 -2.16 116.25 110.12 2f99 h VAL 12 Ca 0.09 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2f99 h VAL 12 Cb 0.11 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2f99 h VAL 12 CO -0.15 0.11 0.20 -0.33 0.02 0.00 0.00 177.57 177.41 2f99 h GLU 13 N 0.60 0.48 -0.34 1.57 5.08 -0.97 -2.53 114.58 118.46 2f99 h GLU 13 Ca 0.24 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 2f99 h GLU 13 Cb 0.11 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2f99 h GLU 13 CO -0.14 0.35 -0.17 0.00 -1.00 0.00 0.00 179.01 178.05 2f99 h ALA 14 N 1.74 1.07 -0.50 3.43 0.00 -0.59 0.94 119.26 125.35 2f99 h ALA 14 Ca 0.13 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2f99 h ALA 14 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2f99 h ALA 14 CO -0.02 0.57 0.04 1.88 0.00 0.00 0.00 179.25 181.71 2f99 h TYR 15 N 0.56 0.87 -0.07 0.00 -1.99 -1.30 0.28 116.97 115.32 2f99 h TYR 15 Ca 0.09 -0.11 -0.09 0.00 2.00 0.00 0.00 58.73 60.62 2f99 h TYR 15 Cb 0.60 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 39.10 2f99 h TYR 15 CO 0.03 0.78 -0.30 -0.91 -0.00 0.00 0.00 178.16 177.75 2f99 h ASN 16 N 0.77 0.39 1.18 3.88 2.35 -1.08 -3.30 115.58 119.77 2f99 h ASN 16 Ca 0.16 -0.64 -0.14 0.00 -0.55 0.00 0.00 56.30 55.13 2f99 h ASN 16 Cb 0.41 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 2f99 h ASN 16 CO 0.01 0.96 -0.86 0.71 -1.65 0.00 0.00 177.43 176.60 2f99 h THR 17 N -0.16 0.81 0.00 2.81 1.35 -0.88 -3.48 112.91 113.37 2f99 h THR 17 Ca -0.02 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.60 2f99 h THR 17 Cb 0.94 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 2f99 h THR 17 CO 0.06 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 2f99 n GLY 18 N 1.29 0.68 3.60 5.82 0.00 0.97 -4.99 105.19 112.56 2f99 n GLY 18 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2f99 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f99 s LYS 19 N -0.31 3.78 -0.12 1.61 1.02 -1.22 -4.91 119.74 119.60 2f99 s LYS 19 Ca 0.00 0.48 0.16 0.00 0.02 0.00 0.00 55.97 56.63 2f99 s LYS 19 Cb 0.00 -3.82 0.26 0.00 -0.52 0.00 0.00 37.83 33.74 2f99 s LYS 19 CO 0.00 -0.98 1.13 0.25 -0.92 0.00 0.00 175.35 174.83 2f99 n THR 20 N 6.03 1.64 0.07 2.17 -2.24 -1.26 -4.69 114.28 115.99 2f99 n THR 20 Ca 0.06 -2.00 -0.03 0.00 -2.27 0.00 0.00 64.05 59.82 2f99 n THR 20 Cb 0.48 -0.13 0.20 0.00 -2.10 0.00 0.00 70.33 68.78 2f99 n THR 20 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2f99 h ASP 21 N 0.04 0.34 -0.63 3.42 3.45 -2.01 -3.22 116.42 117.82 2f99 h ASP 21 Ca -0.00 -0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.32 2f99 h ASP 21 Cb 1.06 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.73 2f99 h ASP 21 CO 0.00 0.70 0.00 -0.90 -1.57 0.00 0.00 179.24 177.47 2f99 n ASP 22 N -4.05 3.83 0.28 6.45 5.75 -1.26 -4.62 116.55 122.93 2f99 n ASP 22 Ca -0.01 -2.00 0.15 0.00 -0.01 0.00 0.00 54.79 52.92 2f99 n ASP 22 Cb 0.47 -0.41 0.89 0.00 -1.03 0.00 0.00 41.12 41.03 2f99 n ASP 22 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 2f99 h VAL 23 N 4.42 0.54 -0.03 2.12 -1.51 -1.90 -0.43 116.25 119.47 2f99 h VAL 23 Ca 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.48 2f99 h VAL 23 Cb 1.00 0.97 -0.00 0.00 -2.13 0.00 0.00 31.29 31.13 2f99 h VAL 23 CO 0.00 0.00 0.13 0.00 -1.23 0.00 0.00 177.57 176.47 2f99 h ALA 24 N 1.96 1.26 -0.90 5.19 0.00 -1.82 0.13 119.26 125.09 2f99 h ALA 24 Ca 0.01 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2f99 h ALA 24 Cb 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2f99 h ALA 24 CO -0.00 -0.14 0.57 -0.44 0.00 0.00 0.00 179.25 179.24 2f99 h ASP 25 N 0.00 0.93 0.00 0.00 3.45 -1.45 -3.35 116.42 116.00 2f99 h ASP 25 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.48 2f99 h ASP 25 Cb 0.27 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 2f99 h ASP 25 CO -0.00 0.62 0.00 0.00 -1.57 0.00 0.00 179.24 178.29 2f99 n TYR 26 N -4.55 0.00 -3.71 4.55 0.18 -0.56 -4.94 117.16 108.12 2f99 n TYR 26 Ca 0.12 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.53 2f99 n TYR 26 Cb 0.13 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 38.98 2f99 n TYR 26 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 2f99 s ILE 27 N -0.52 4.99 0.40 -3.48 -1.09 0.36 -0.46 121.20 121.40 2f99 s ILE 27 Ca 0.00 0.06 -0.27 0.00 -2.23 0.00 0.00 60.65 58.21 2f99 s ILE 27 Cb 0.00 -3.34 -0.10 0.00 -1.58 0.00 0.00 42.46 37.45 2f99 s ILE 27 CO 0.00 0.33 1.41 -2.28 -1.23 0.00 0.00 174.94 173.16 2f99 s HIS 28 N 1.36 2.65 0.52 3.97 2.46 -0.30 -4.56 115.29 121.39 2f99 s HIS 28 Ca 0.06 1.28 0.34 0.00 0.47 0.00 0.00 55.06 57.21 2f99 s HIS 28 Cb -0.15 -3.87 1.48 0.00 -0.13 0.00 0.00 32.58 29.91 2f99 s HIS 28 CO 0.06 -2.64 1.81 -1.35 -2.47 0.00 0.00 174.74 170.15 2f99 h PRO 29 N 2.77 0.05 -0.42 2.88 0.11 -1.92 -0.56 132.00 134.90 2f99 h PRO 29 Ca -0.50 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 2f99 h PRO 29 Cb 1.25 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2f99 h PRO 29 CO 0.63 0.03 0.03 0.39 -0.21 0.00 0.00 178.00 178.88 2f99 n GLU 30 N -4.25 3.54 -1.58 1.05 -0.58 -1.26 -3.21 120.64 114.35 2f99 n GLU 30 Ca 0.25 -3.00 -0.52 0.00 -0.42 0.00 0.00 57.16 53.47 2f99 n GLU 30 Cb 1.16 -2.02 -0.06 0.00 -0.57 0.00 0.00 31.44 29.95 2f99 n GLU 30 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2f99 n TYR 31 N -0.18 1.38 -4.50 -0.32 9.36 -0.22 -4.60 117.16 118.08 2f99 n TYR 31 Ca 0.27 0.69 -0.22 0.00 3.32 0.00 0.00 57.90 61.95 2f99 n TYR 31 Cb 1.06 -2.30 -0.14 0.00 -0.63 0.00 0.00 39.34 37.34 2f99 n TYR 31 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 2f99 s MET 32 N 0.30 1.12 -0.19 2.98 -1.94 -0.56 -1.44 119.30 119.56 2f99 s MET 32 Ca 0.83 -0.77 -0.03 0.00 -1.71 0.00 0.00 55.69 54.01 2f99 s MET 32 Cb -0.97 -1.15 0.06 0.00 2.01 0.00 0.00 34.83 34.78 2f99 s MET 32 CO 0.49 0.29 0.05 1.21 -0.01 0.00 0.00 175.02 177.05 2f99 s ASN 33 N -1.00 2.81 0.54 3.03 3.84 -1.26 -1.26 114.94 121.65 2f99 s ASN 33 Ca 0.04 -0.79 0.26 0.00 0.21 0.00 0.00 52.86 52.58 2f99 s ASN 33 Cb -0.08 -0.53 1.54 0.00 -0.55 0.00 0.00 41.25 41.63 2f99 s ASN 33 CO 0.01 -0.32 2.14 1.55 -2.79 0.00 0.00 177.10 177.70 2f99 h PRO 34 N 8.28 0.00 0.00 0.43 0.13 -2.01 -1.39 132.00 137.44 2f99 h PRO 34 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2f99 h PRO 34 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2f99 h PRO 34 CO 0.33 0.07 0.00 0.78 -0.23 0.00 0.00 178.00 178.95 2f99 h GLY 35 N 0.41 0.00 1.02 1.56 0.00 -1.93 -2.83 103.07 101.30 2f99 h GLY 35 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2f99 h GLY 35 CO 0.01 0.00 -0.50 -1.30 0.00 0.00 0.00 176.54 174.74 2f99 n THR 36 N -2.34 0.02 0.11 4.70 -2.24 -0.52 -4.51 114.28 109.50 2f99 n THR 36 Ca -0.00 -0.02 0.10 0.00 -2.27 0.00 0.00 64.05 61.86 2f99 n THR 36 Cb 0.13 0.21 0.59 0.00 -2.10 0.00 0.00 70.33 69.16 2f99 n THR 36 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2f99 h LEU 37 N 0.00 0.15 -1.99 3.22 3.38 -1.64 0.12 115.31 118.55 2f99 h LEU 37 Ca 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2f99 h LEU 37 Cb 0.52 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2f99 h LEU 37 CO 0.00 0.10 -0.10 -0.08 0.09 0.00 0.00 178.44 178.45 2f99 h GLU 38 N 0.17 0.00 0.00 1.13 4.81 -1.84 -3.32 114.58 115.54 2f99 h GLU 38 Ca 0.12 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.05 2f99 h GLU 38 Cb 0.25 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 2f99 h GLU 38 CO -0.02 0.10 -2.11 1.19 -0.73 0.00 0.00 179.01 177.45 2f99 n PHE 39 N -3.67 0.00 -3.45 0.92 3.01 0.40 -5.07 117.46 109.59 2f99 n PHE 39 Ca -0.02 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.32 2f99 n PHE 39 Cb 0.22 -0.79 -0.03 0.00 -0.01 0.00 0.00 39.48 38.87 2f99 n PHE 39 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 2f99 s THR 40 N -2.39 0.01 -1.49 4.37 -1.32 -0.97 -5.04 115.64 108.80 2f99 s THR 40 Ca -0.12 -0.06 0.12 0.00 -1.21 0.00 0.00 61.69 60.42 2f99 s THR 40 Cb 0.05 -1.01 0.09 0.00 -1.51 0.00 0.00 72.50 70.12 2f99 s THR 40 CO 0.62 -0.03 0.87 -1.54 -2.21 0.00 0.00 174.62 172.33 2f99 n SER 41 N -0.25 1.97 -4.67 8.08 3.41 -1.26 -4.41 113.62 116.48 2f99 n SER 41 Ca -0.17 -1.48 -0.32 0.00 -0.26 0.00 0.00 58.87 56.64 2f99 n SER 41 Cb 0.64 0.04 0.16 0.00 -0.26 0.00 0.00 64.21 64.79 2f99 n SER 41 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2f99 n LEU 42 N 0.62 3.50 -4.31 1.04 4.77 -1.26 -5.06 117.00 116.30 2f99 n LEU 42 Ca 0.07 0.46 -0.17 0.00 -0.03 0.00 0.00 56.01 56.33 2f99 n LEU 42 Cb 0.30 -1.48 -0.10 0.00 -2.33 0.00 0.00 43.42 39.82 2f99 n LEU 42 CO 0.08 -2.09 -0.22 -0.13 -1.33 0.00 0.00 177.39 173.70 2f99 s ARG 43 N -4.50 1.49 2.69 3.23 1.81 -1.26 -4.73 118.95 117.68 2f99 s ARG 43 Ca 0.68 -1.83 0.00 0.00 -1.72 0.00 0.00 55.73 52.86 2f99 s ARG 43 Cb -0.24 -0.09 0.00 0.00 -0.45 0.00 0.00 34.95 34.17 2f99 s ARG 43 CO 0.57 -0.40 0.00 0.41 -0.68 0.00 0.00 175.30 175.20 2f99 n GLY 44 N -0.50 -0.07 0.36 -3.53 0.00 -0.52 -2.84 105.19 98.09 2f99 n GLY 44 Ca 0.01 -1.02 0.18 0.00 0.00 0.00 0.00 46.02 45.20 2f99 n GLY 44 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2f99 h PRO 45 N 0.00 0.54 -0.94 1.61 0.11 -1.80 -0.33 132.00 131.18 2f99 h PRO 45 Ca 0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 2f99 h PRO 45 Cb 0.00 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 30.94 2f99 h PRO 45 CO 0.00 0.36 0.58 0.93 -0.21 0.00 0.00 178.00 179.66 2f99 h GLU 46 N 0.55 1.27 -0.31 1.05 3.07 -1.96 -1.04 114.58 117.23 2f99 h GLU 46 Ca 0.62 -0.11 -0.05 0.00 -0.50 0.00 0.00 59.36 59.32 2f99 h GLU 46 Cb 1.26 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 2f99 h GLU 46 CO -0.42 0.88 -0.01 1.25 -1.40 0.00 0.00 179.01 179.32 2f99 h LEU 47 N 1.30 0.54 -0.64 1.33 5.85 -0.91 -2.34 115.31 120.44 2f99 h LEU 47 Ca 0.34 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2f99 h LEU 47 Cb -0.07 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2f99 h LEU 47 CO -0.07 0.73 0.36 0.15 -0.34 0.00 0.00 178.44 179.27 2f99 h PHE 48 N 0.35 0.87 -0.89 1.25 3.57 -1.15 -2.25 116.94 118.69 2f99 h PHE 48 Ca 0.09 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.58 2f99 h PHE 48 Cb 0.45 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 2f99 h PHE 48 CO 0.04 0.61 0.59 0.00 -2.23 0.00 0.00 178.31 177.32 2f99 h ALA 49 N 1.18 1.37 -0.24 2.41 0.00 -1.12 -1.66 119.26 121.19 2f99 h ALA 49 Ca 0.23 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 2f99 h ALA 49 Cb 0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2f99 h ALA 49 CO -0.04 0.59 -0.48 0.97 0.00 0.00 0.00 179.25 180.29 2f99 h ILE 50 N 1.20 1.30 -0.07 0.00 2.10 -1.12 -0.78 117.51 120.14 2f99 h ILE 50 Ca 0.33 -1.68 0.01 0.00 1.08 0.00 0.00 64.86 64.60 2f99 h ILE 50 Cb -0.14 1.63 -0.01 0.00 -1.09 0.00 0.00 36.82 37.21 2f99 h ILE 50 CO -0.07 0.53 0.01 -1.13 -1.08 0.00 0.00 178.15 176.41 2f99 h ASN 51 N 0.50 -0.02 -0.41 2.19 -1.24 -1.04 -0.70 115.58 114.87 2f99 h ASN 51 Ca 0.03 0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.06 2f99 h ASN 51 Cb 1.02 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 40.07 2f99 h ASN 51 CO 0.09 0.00 0.26 0.58 -1.29 0.00 0.00 177.43 177.07 2f99 h VAL 52 N 0.03 1.07 -0.65 2.57 2.07 -1.12 -1.65 116.25 118.59 2f99 h VAL 52 Ca 0.03 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.41 2f99 h VAL 52 Cb 0.03 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2f99 h VAL 52 CO -0.05 0.09 0.39 0.00 0.02 0.00 0.00 177.57 178.03 2f99 h ALA 53 N 1.17 0.84 -0.73 1.67 0.00 -1.00 -2.08 119.26 119.13 2f99 h ALA 53 Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2f99 h ALA 53 Cb -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2f99 h ALA 53 CO -0.05 0.14 0.42 2.35 0.00 0.00 0.00 179.25 182.10 2f99 h TRP 54 N 0.77 0.99 -0.52 0.00 7.01 -0.81 -0.47 115.95 122.91 2f99 h TRP 54 Ca 0.26 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.25 2f99 h TRP 54 Cb 0.04 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 26.76 2f99 h TRP 54 CO -0.05 0.68 0.33 0.28 -2.79 0.00 0.00 178.44 176.89 2f99 h VAL 55 N 1.00 1.14 -0.46 2.65 2.07 -0.85 0.77 116.25 122.58 2f99 h VAL 55 Ca 0.26 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 2f99 h VAL 55 Cb 0.01 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2f99 h VAL 55 CO -0.04 0.14 -0.11 0.11 0.02 0.00 0.00 177.57 177.68 2f99 h LYS 56 N 0.70 0.84 -0.26 1.57 1.79 -1.07 0.24 116.57 120.38 2f99 h LYS 56 Ca 0.19 -0.29 -0.09 0.00 -2.18 0.00 0.00 60.65 58.28 2f99 h LYS 56 Cb -0.06 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 2f99 h LYS 56 CO -0.04 0.91 -0.17 -0.22 -1.08 0.00 0.00 179.45 178.85 2f99 h LYS 57 N 0.75 0.57 0.15 3.15 3.64 -0.79 -2.07 116.57 121.97 2f99 h LYS 57 Ca 0.12 -0.27 -0.35 0.00 -1.27 0.00 0.00 60.65 58.88 2f99 h LYS 57 Cb 0.62 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2f99 h LYS 57 CO 0.04 0.85 -1.83 1.15 -2.27 0.00 0.00 179.45 177.39 2f99 h THR 58 N 0.30 0.81 -0.40 1.00 2.02 -0.78 -3.27 112.91 112.59 2f99 h THR 58 Ca 0.05 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.81 2f99 h THR 58 Cb 0.71 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 2f99 h THR 58 CO 0.05 0.86 0.00 0.49 0.37 0.00 0.00 175.52 177.29 2f99 n PHE 59 N -3.58 0.66 0.00 3.16 3.72 0.82 -0.88 117.46 121.36 2f99 n PHE 59 Ca -0.28 -0.56 0.00 0.00 -0.05 0.00 0.00 57.45 56.56 2f99 n PHE 59 Cb 1.05 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.51 2f99 n PHE 59 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2f99 n SER 60 N 0.53 0.00 0.29 4.37 3.41 -0.79 -1.53 113.62 119.89 2f99 n SER 60 Ca 0.15 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.90 2f99 n SER 60 Cb 0.55 0.22 0.85 0.00 -0.26 0.00 0.00 64.21 65.56 2f99 n SER 60 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2f99 h GLU 61 N 0.00 0.00 -0.03 4.33 4.39 -1.86 -1.84 114.58 119.56 2f99 h GLU 61 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2f99 h GLU 61 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2f99 h GLU 61 CO 0.00 0.04 0.00 0.39 -1.16 0.00 0.00 179.01 178.28 2f99 n GLU 62 N -3.81 1.34 -1.91 2.33 4.71 -1.26 -4.90 120.64 117.14 2f99 n GLU 62 Ca -0.03 -0.50 -0.41 0.00 -0.01 0.00 0.00 57.16 56.21 2f99 n GLU 62 Cb 0.13 -1.44 -0.01 0.00 -1.01 0.00 0.00 31.44 29.10 2f99 n GLU 62 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2f99 s ALA 63 N -1.97 3.62 0.06 0.62 0.00 -0.69 -4.83 121.76 118.56 2f99 s ALA 63 Ca 0.39 1.45 -0.07 0.00 0.00 0.00 0.00 51.96 53.73 2f99 s ALA 63 Cb 0.19 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 2f99 s ALA 63 CO 0.31 -0.88 0.14 -0.98 0.00 0.00 0.00 175.76 174.35 2f99 s ARG 64 N -1.21 0.70 -0.22 0.00 1.70 -0.04 -4.61 118.95 115.28 2f99 s ARG 64 Ca 0.56 -0.84 -0.05 0.00 -0.47 0.00 0.00 55.73 54.94 2f99 s ARG 64 Cb -0.44 0.28 -0.02 0.00 -0.57 0.00 0.00 34.95 34.20 2f99 s ARG 64 CO 0.52 -0.20 -0.00 -0.51 -1.08 0.00 0.00 175.30 174.03 2f99 s LEU 65 N -2.44 3.13 -0.08 -1.89 1.43 -1.26 -0.37 118.68 117.19 2f99 s LEU 65 Ca -0.00 -0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 52.75 2f99 s LEU 65 Cb 0.02 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 2f99 s LEU 65 CO -0.07 0.00 0.14 -1.61 0.23 0.00 0.00 176.35 175.04 2f99 s GLU 66 N 1.36 3.38 -0.18 1.70 0.41 0.16 -4.90 118.70 120.63 2f99 s GLU 66 Ca 0.04 -0.22 -0.21 0.00 -0.41 0.00 0.00 54.97 54.18 2f99 s GLU 66 Cb -0.15 -3.12 -0.03 0.00 -1.78 0.00 0.00 34.13 29.06 2f99 s GLU 66 CO 0.00 0.74 0.62 -2.00 -0.49 0.00 0.00 175.26 174.13 2f99 s GLU 67 N -1.28 4.24 -0.20 1.61 2.12 -1.26 -0.73 118.70 123.19 2f99 s GLU 67 Ca 0.18 0.61 -0.19 0.00 0.36 0.00 0.00 54.97 55.94 2f99 s GLU 67 Cb -0.12 -3.56 -0.20 0.00 0.26 0.00 0.00 34.13 30.52 2f99 s GLU 67 CO 0.08 -0.18 0.19 0.28 -0.54 0.00 0.00 175.26 175.09 2f99 n VAL 68 N 4.53 1.57 -3.53 3.70 0.31 0.92 -4.97 118.33 120.85 2f99 n VAL 68 Ca -0.02 -0.15 -0.09 0.00 -0.01 0.00 0.00 64.34 64.07 2f99 n VAL 68 Cb 0.50 -1.98 -0.03 0.00 -0.91 0.00 0.00 33.84 31.42 2f99 n VAL 68 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2f99 s GLY 69 N -5.03 -0.40 -0.03 2.92 0.00 -0.91 -5.00 107.32 98.88 2f99 s GLY 69 Ca -0.29 1.34 0.01 0.00 0.00 0.00 0.00 44.72 45.78 2f99 s GLY 69 CO 0.61 0.54 -0.01 -0.42 0.00 0.00 0.00 173.10 173.82 2f99 s ILE 70 N -2.51 0.24 0.18 0.90 1.01 -1.26 -0.08 121.20 119.68 2f99 s ILE 70 Ca 0.04 0.01 0.08 0.00 0.00 0.00 0.00 60.65 60.78 2f99 s ILE 70 Cb -0.01 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.12 2f99 s ILE 70 CO -0.06 0.14 -0.18 -1.61 0.00 0.00 0.00 174.94 173.24 2f99 s GLU 71 N 0.78 1.30 0.05 2.79 8.01 -0.06 -5.00 118.70 126.57 2f99 s GLU 71 Ca -0.08 -1.45 0.01 0.00 0.01 0.00 0.00 54.97 53.46 2f99 s GLU 71 Cb -0.11 -1.31 -0.03 0.00 -4.31 0.00 0.00 34.13 28.36 2f99 s GLU 71 CO -0.01 0.26 -0.06 -1.83 0.01 0.00 0.00 175.26 173.63 2f99 s GLU 72 N -2.96 0.57 -0.22 1.61 -1.05 -1.26 -0.68 118.70 114.72 2f99 s GLU 72 Ca 0.17 -0.95 -0.04 0.00 -0.15 0.00 0.00 54.97 54.00 2f99 s GLU 72 Cb -0.05 -0.09 0.11 0.00 -0.44 0.00 0.00 34.13 33.66 2f99 s GLU 72 CO 0.07 -0.02 0.38 0.50 0.95 0.00 0.00 175.26 177.14 2f99 s ARG 73 N -2.54 0.32 3.89 -4.83 3.52 -0.13 -5.00 118.95 114.18 2f99 s ARG 73 Ca -0.03 0.71 0.00 0.00 -0.13 0.00 0.00 55.73 56.29 2f99 s ARG 73 Cb -0.03 -0.19 0.00 0.00 -1.56 0.00 0.00 34.95 33.17 2f99 s ARG 73 CO -0.03 -0.48 0.00 0.00 -0.81 0.00 0.00 175.30 173.98 2f99 n ALA 74 N 5.37 0.00 1.04 6.12 0.00 -1.26 -1.25 120.51 130.53 2f99 n ALA 74 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.42 2f99 n ALA 74 Cb 0.50 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.06 2f99 n ALA 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2f99 n ASP 75 N 4.19 1.58 -4.49 0.00 10.43 -1.26 -4.87 116.55 122.13 2f99 n ASP 75 Ca 0.00 -2.06 -0.31 0.00 2.57 0.00 0.00 54.79 54.99 2f99 n ASP 75 Cb 0.00 -0.25 -0.12 0.00 1.84 0.00 0.00 41.12 42.59 2f99 n ASP 75 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 2f99 s TRP 76 N -1.65 2.62 -0.03 1.24 0.52 -0.38 -0.79 118.94 120.46 2f99 s TRP 76 Ca 0.17 -0.22 0.04 0.00 0.02 0.00 0.00 56.10 56.11 2f99 s TRP 76 Cb 0.10 -1.47 -0.01 0.00 -1.15 0.00 0.00 33.47 30.94 2f99 s TRP 76 CO 0.10 0.29 -0.15 0.08 0.02 0.00 0.00 176.95 177.29 2f99 s VAL 77 N -0.97 1.24 -0.17 4.03 1.01 -0.02 -0.96 120.40 124.56 2f99 s VAL 77 Ca 0.16 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 2f99 s VAL 77 Cb -0.11 -1.05 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 2f99 s VAL 77 CO 0.07 0.36 -0.13 -0.60 0.00 0.00 0.00 175.10 174.80 2f99 s ARG 78 N -0.13 3.26 -0.15 2.72 3.52 0.14 -0.55 118.95 127.77 2f99 s ARG 78 Ca 0.01 -0.72 -0.00 0.00 -0.13 0.00 0.00 55.73 54.89 2f99 s ARG 78 Cb -0.09 -2.71 -0.01 0.00 -1.56 0.00 0.00 34.95 30.58 2f99 s ARG 78 CO 0.01 -0.02 -0.13 0.00 -0.81 0.00 0.00 175.30 174.34 2f99 s ALA 79 N 0.94 2.60 -0.37 6.12 0.00 0.23 -0.88 121.76 130.39 2f99 s ALA 79 Ca -0.02 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 50.86 2f99 s ALA 79 Cb -0.15 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.74 2f99 s ALA 79 CO -0.01 0.10 0.21 1.03 0.00 0.00 0.00 175.76 177.09 2f99 s ARG 80 N 0.59 2.92 0.32 0.00 0.52 0.88 -1.01 118.95 123.17 2f99 s ARG 80 Ca -0.08 -1.02 0.05 0.00 -0.52 0.00 0.00 55.73 54.16 2f99 s ARG 80 Cb -0.16 -3.74 -0.06 0.00 0.52 0.00 0.00 34.95 31.51 2f99 s ARG 80 CO 0.03 -0.67 0.03 -0.51 0.02 0.00 0.00 175.30 174.21 2f99 s LEU 81 N 1.58 2.30 -0.06 2.53 1.43 -0.48 -0.06 118.68 125.91 2f99 s LEU 81 Ca 0.03 -1.34 -0.01 0.00 -1.03 0.00 0.00 54.13 51.78 2f99 s LEU 81 Cb -0.19 -0.47 0.03 0.00 0.03 0.00 0.00 46.19 45.59 2f99 s LEU 81 CO 0.07 -0.54 -0.01 -0.69 0.23 0.00 0.00 176.35 175.40 2f99 s VAL 82 N -3.20 0.42 -0.08 -1.59 1.01 0.09 0.30 120.40 117.36 2f99 s VAL 82 Ca 0.35 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.17 2f99 s VAL 82 Cb 0.08 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 2f99 s VAL 82 CO 0.15 0.25 0.56 -0.22 0.00 0.00 0.00 175.10 175.84 2f99 s LEU 83 N 1.60 4.32 -0.09 3.92 2.96 -0.16 -0.67 118.68 130.56 2f99 s LEU 83 Ca -0.01 1.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.93 2f99 s LEU 83 Cb -0.13 -2.85 -0.01 0.00 0.50 0.00 0.00 46.19 43.70 2f99 s LEU 83 CO -0.04 -0.00 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.48 2f99 s TYR 84 N 0.46 2.61 0.13 5.38 2.02 0.50 -1.02 117.35 127.43 2f99 s TYR 84 Ca 0.30 -0.77 -0.06 0.00 -0.37 0.00 0.00 57.07 56.17 2f99 s TYR 84 Cb -0.17 -1.71 0.02 0.00 -0.40 0.00 0.00 41.96 39.71 2f99 s TYR 84 CO 0.14 -0.26 0.30 0.41 -1.57 0.00 0.00 175.55 174.57 2f99 n GLY 85 N 3.27 1.54 2.89 0.71 0.00 -0.69 -0.86 105.19 112.04 2f99 n GLY 85 Ca -0.18 -1.09 -0.19 0.00 0.00 0.00 0.00 46.02 44.56 2f99 n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2f99 s ARG 86 N -2.03 0.75 -0.80 1.61 3.52 -0.58 -1.59 118.95 119.83 2f99 s ARG 86 Ca 0.06 -0.08 -0.25 0.00 -0.13 0.00 0.00 55.73 55.32 2f99 s ARG 86 Cb -0.02 -0.77 -0.00 0.00 -1.56 0.00 0.00 34.95 32.60 2f99 s ARG 86 CO 0.04 -0.08 1.67 -1.58 -0.81 0.00 0.00 175.30 174.54 2f99 s HIS 87 N 0.89 2.01 -0.25 5.12 5.65 0.07 -3.33 115.29 125.44 2f99 s HIS 87 Ca -0.12 0.24 0.04 0.00 0.25 0.00 0.00 55.06 55.48 2f99 s HIS 87 Cb -0.14 -4.32 -0.04 0.00 -1.18 0.00 0.00 32.58 26.90 2f99 s HIS 87 CO 0.00 -2.03 0.23 1.33 -0.65 0.00 0.00 174.74 173.62 2f99 n VAL 88 N 7.15 0.00 -4.45 0.89 0.24 -0.06 -0.06 118.33 122.04 2f99 n VAL 88 Ca 0.24 -0.40 -0.22 0.00 -2.04 0.00 0.00 64.34 61.92 2f99 n VAL 88 Cb 0.50 1.01 -0.10 0.00 -1.47 0.00 0.00 33.84 33.77 2f99 n VAL 88 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2f99 s GLY 89 N -1.33 1.86 0.25 7.63 0.00 -0.79 -4.76 107.32 110.18 2f99 s GLY 89 Ca 0.02 -1.90 -0.31 0.00 0.00 0.00 0.00 44.72 42.53 2f99 s GLY 89 CO 0.17 -1.90 1.67 1.85 0.00 0.00 0.00 173.10 174.89 2f99 s GLU 90 N -3.64 4.12 -0.32 2.90 2.56 -1.26 -4.13 118.70 118.92 2f99 s GLU 90 Ca 0.29 2.60 0.03 0.00 0.00 0.00 0.00 54.97 57.90 2f99 s GLU 90 Cb 0.01 -3.05 0.09 0.00 2.00 0.00 0.00 34.13 33.19 2f99 s GLU 90 CO 0.13 -0.70 0.03 1.41 -0.56 0.00 0.00 175.26 175.56 2f99 s MET 91 N 0.39 1.52 -1.06 4.30 -2.45 -0.10 -4.82 119.30 117.08 2f99 s MET 91 Ca 0.70 -1.72 -0.09 0.00 -1.25 0.00 0.00 55.69 53.32 2f99 s MET 91 Cb -0.49 -3.05 0.01 0.00 1.25 0.00 0.00 34.83 32.55 2f99 s MET 91 CO 0.40 -0.89 0.18 1.33 1.05 0.00 0.00 175.02 177.09 2f99 n VAL 92 N 4.34 -1.16 -0.50 10.11 0.24 -1.26 -0.63 118.33 129.47 2f99 n VAL 92 Ca 0.01 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 2f99 n VAL 92 Cb 0.42 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.74 2f99 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2f99 n GLY 93 N -2.04 0.85 3.62 7.63 0.00 -1.26 -4.35 105.19 109.63 2f99 n GLY 93 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 2f99 n GLY 93 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2f99 s MET 94 N -0.45 3.99 0.52 1.61 -1.94 0.20 -0.68 119.30 122.55 2f99 s MET 94 Ca 0.00 -0.30 -0.22 0.00 -1.71 0.00 0.00 55.69 53.46 2f99 s MET 94 Cb 0.00 -3.61 -0.05 0.00 2.01 0.00 0.00 34.83 33.17 2f99 s MET 94 CO 0.00 -0.09 1.30 0.00 -0.01 0.00 0.00 175.02 176.23 2f99 s ALA 95 N 1.49 2.85 0.07 3.03 0.00 -1.26 -0.93 121.76 127.02 2f99 s ALA 95 Ca 0.07 1.22 -0.37 0.00 0.00 0.00 0.00 51.96 52.89 2f99 s ALA 95 Cb -0.15 -3.52 -0.16 0.00 0.00 0.00 0.00 23.12 19.29 2f99 s ALA 95 CO 0.08 -1.18 1.38 -2.30 0.00 0.00 0.00 175.76 173.74 2f99 n PRO 96 N -0.90 1.23 -0.01 0.00 -0.02 -1.26 -4.86 135.00 129.18 2f99 n PRO 96 Ca 0.10 0.44 0.10 0.00 -2.02 0.00 0.00 63.50 62.12 2f99 n PRO 96 Cb 0.46 -2.10 -0.14 0.00 -0.02 0.00 0.00 33.50 31.70 2f99 n PRO 96 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2f99 n THR 97 N 2.69 0.00 -0.99 3.45 -2.24 -1.14 -4.99 114.28 111.07 2f99 n THR 97 Ca 0.19 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2f99 n THR 97 Cb 0.20 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 2f99 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f99 n GLY 98 N 1.38 0.30 3.81 3.38 0.00 0.91 -4.99 105.19 109.98 2f99 n GLY 98 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2f99 n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f99 s ARG 99 N -0.82 4.14 0.58 1.61 0.52 -1.25 -4.68 118.95 119.05 2f99 s ARG 99 Ca 0.00 0.63 -0.19 0.00 -0.52 0.00 0.00 55.73 55.65 2f99 s ARG 99 Cb 0.00 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 2f99 s ARG 99 CO 0.00 0.59 1.19 -0.51 0.02 0.00 0.00 175.30 176.60 2f99 s LEU 100 N -0.88 3.69 0.15 2.53 1.43 -1.26 -0.75 118.68 123.58 2f99 s LEU 100 Ca 0.28 2.35 -0.18 0.00 -1.03 0.00 0.00 54.13 55.54 2f99 s LEU 100 Cb -0.18 -4.59 0.04 0.00 0.03 0.00 0.00 46.19 41.49 2f99 s LEU 100 CO 0.17 -1.52 0.49 0.72 0.23 0.00 0.00 176.35 176.44 2f99 s PHE 101 N -1.62 -0.29 -0.12 0.29 -0.12 -0.62 -4.68 117.98 110.83 2f99 s PHE 101 Ca 0.76 -0.00 -0.10 0.00 -0.05 0.00 0.00 56.93 57.54 2f99 s PHE 101 Cb -0.29 0.38 0.03 0.00 -0.63 0.00 0.00 43.02 42.51 2f99 s PHE 101 CO 0.32 -0.79 0.31 0.45 -0.05 0.00 0.00 175.22 175.45 2f99 s SER 102 N -2.80 -0.33 -0.14 1.98 0.15 -1.26 -1.71 113.70 109.59 2f99 s SER 102 Ca 0.04 0.63 -0.08 0.00 0.70 0.00 0.00 55.95 57.23 2f99 s SER 102 Cb 0.00 0.62 0.05 0.00 -1.71 0.00 0.00 66.02 64.99 2f99 s SER 102 CO -0.10 -0.11 0.35 -0.83 1.20 0.00 0.00 173.24 173.74 2f99 s GLY 103 N 0.27 -0.26 0.73 9.45 0.00 -0.19 -4.75 107.32 112.57 2f99 s GLY 103 Ca -0.01 1.30 -0.15 0.00 0.00 0.00 0.00 44.72 45.85 2f99 s GLY 103 CO -0.01 1.45 1.23 -0.54 0.00 0.00 0.00 173.10 175.23 2f99 s GLU 104 N 1.22 2.10 0.03 2.90 2.02 -1.26 -0.99 118.70 124.72 2f99 s GLU 104 Ca -0.08 1.85 0.01 0.00 0.02 0.00 0.00 54.97 56.76 2f99 s GLU 104 Cb -0.08 -1.82 -0.02 0.00 0.10 0.00 0.00 34.13 32.31 2f99 s GLU 104 CO -0.10 -1.88 -0.05 -0.65 0.02 0.00 0.00 175.26 172.60 2f99 s GLN 105 N -3.82 0.42 -0.10 1.61 -0.21 0.15 -2.13 119.66 115.56 2f99 s GLN 105 Ca 0.76 -0.69 0.03 0.00 0.02 0.00 0.00 55.36 55.48 2f99 s GLN 105 Cb -0.31 -0.07 0.00 0.00 1.00 0.00 0.00 33.01 33.63 2f99 s GLN 105 CO 0.45 -0.01 -0.21 0.42 -2.12 0.00 0.00 175.29 173.82 2f99 s ILE 106 N -1.48 1.90 -0.07 1.08 1.01 -0.90 -1.39 121.20 121.34 2f99 s ILE 106 Ca -0.13 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.66 2f99 s ILE 106 Cb -0.10 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 2f99 s ILE 106 CO -0.01 0.52 -0.24 -1.00 0.00 0.00 0.00 174.94 174.21 2f99 s HIS 107 N 0.52 2.46 -0.18 3.97 3.76 -0.18 -0.16 115.29 125.48 2f99 s HIS 107 Ca -0.15 -0.84 -0.01 0.00 -0.15 0.00 0.00 55.06 53.91 2f99 s HIS 107 Cb -0.17 -1.63 0.00 0.00 1.11 0.00 0.00 32.58 31.90 2f99 s HIS 107 CO 0.05 -0.29 -0.13 -0.51 -0.85 0.00 0.00 174.74 173.01 2f99 s LEU 108 N 0.03 2.50 -0.08 0.89 1.02 0.90 -0.60 118.68 123.33 2f99 s LEU 108 Ca -0.09 -0.50 0.04 0.00 0.02 0.00 0.00 54.13 53.60 2f99 s LEU 108 Cb -0.15 -1.59 0.00 0.00 0.02 0.00 0.00 46.19 44.47 2f99 s LEU 108 CO 0.06 0.03 -0.22 -0.76 0.02 0.00 0.00 176.35 175.48 2f99 s LEU 109 N 1.16 2.00 -0.18 1.79 2.01 0.28 -1.02 118.68 124.72 2f99 s LEU 109 Ca 0.01 -0.49 -0.05 0.00 0.01 0.00 0.00 54.13 53.61 2f99 s LEU 109 Cb -0.14 -1.27 -0.03 0.00 0.01 0.00 0.00 46.19 44.76 2f99 s LEU 109 CO -0.05 0.15 -0.01 -2.28 1.01 0.00 0.00 176.35 175.17 2f99 s HIS 110 N 0.30 3.05 -0.07 0.29 5.65 0.31 -0.84 115.29 123.98 2f99 s HIS 110 Ca -0.15 -0.36 -0.14 0.00 0.25 0.00 0.00 55.06 54.67 2f99 s HIS 110 Cb -0.17 -2.03 -0.05 0.00 -1.18 0.00 0.00 32.58 29.15 2f99 s HIS 110 CO 0.07 -0.13 0.35 -0.06 -0.65 0.00 0.00 174.74 174.32 2f99 s PHE 111 N 0.70 3.62 -0.01 3.88 0.40 0.03 0.08 117.98 126.68 2f99 s PHE 111 Ca -0.01 0.82 0.01 0.00 -0.60 0.00 0.00 56.93 57.16 2f99 s PHE 111 Cb -0.14 -2.28 0.00 0.00 0.51 0.00 0.00 43.02 41.11 2f99 s PHE 111 CO 0.02 0.51 -0.05 0.08 0.70 0.00 0.00 175.22 176.49 2f99 s VAL 112 N -0.52 0.42 -1.35 -0.44 1.01 -0.46 -4.82 120.40 114.24 2f99 s VAL 112 Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2f99 s VAL 112 Cb -0.15 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2f99 s VAL 112 CO 0.09 0.14 0.00 0.47 0.00 0.00 0.00 175.10 175.80 2f99 n ASP 113 N 3.21 -4.38 0.00 3.32 10.43 -1.26 -1.50 116.55 126.37 2f99 n ASP 113 Ca -0.16 0.19 0.00 0.00 2.57 0.00 0.00 54.79 57.39 2f99 n ASP 113 Cb 0.56 -3.76 0.00 0.00 1.84 0.00 0.00 41.12 39.76 2f99 n ASP 113 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2f99 n GLY 114 N -0.73 0.51 3.39 0.44 0.00 -1.26 -5.03 105.19 102.50 2f99 n GLY 114 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 2f99 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f99 s LYS 115 N -0.14 1.45 -0.18 1.61 1.02 -0.56 -4.97 119.74 117.97 2f99 s LYS 115 Ca 0.00 -1.68 -0.29 0.00 0.02 0.00 0.00 55.97 54.02 2f99 s LYS 115 Cb 0.00 -1.24 -0.02 0.00 -0.52 0.00 0.00 37.83 36.05 2f99 s LYS 115 CO 0.00 0.17 1.45 0.42 -0.92 0.00 0.00 175.35 176.47 2f99 s ILE 116 N -2.90 3.95 -0.15 2.17 1.01 0.39 -1.36 121.20 124.30 2f99 s ILE 116 Ca 0.26 1.12 0.05 0.00 0.00 0.00 0.00 60.65 62.07 2f99 s ILE 116 Cb -0.00 -3.83 -0.12 0.00 0.01 0.00 0.00 42.46 38.51 2f99 s ILE 116 CO 0.10 -0.22 -0.08 1.57 0.00 0.00 0.00 174.94 176.31 2f99 n HIS 117 N 7.39 0.00 -4.09 3.97 -0.00 0.11 -1.15 115.22 121.45 2f99 n HIS 117 Ca 0.16 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.18 2f99 n HIS 117 Cb 0.45 -0.63 -0.15 0.00 -0.12 0.00 0.00 29.99 29.54 2f99 n HIS 117 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2f99 s HIS 118 N -2.32 0.44 -0.10 1.57 5.65 -1.01 -1.50 115.29 118.01 2f99 s HIS 118 Ca -0.16 -0.08 -0.02 0.00 0.25 0.00 0.00 55.06 55.05 2f99 s HIS 118 Cb 0.05 -0.35 0.04 0.00 -1.18 0.00 0.00 32.58 31.14 2f99 s HIS 118 CO 0.43 -0.06 0.03 -1.58 -0.65 0.00 0.00 174.74 172.92 2f99 s HIS 119 N 0.26 0.55 -0.09 3.88 2.46 -0.39 -0.53 115.29 121.44 2f99 s HIS 119 Ca -0.03 -0.24 0.03 0.00 0.47 0.00 0.00 55.06 55.29 2f99 s HIS 119 Cb -0.06 -0.77 -0.02 0.00 -0.13 0.00 0.00 32.58 31.61 2f99 s HIS 119 CO -0.00 -0.38 -0.17 0.50 -2.47 0.00 0.00 174.74 172.21 2f99 s ARG 120 N 2.01 2.94 0.01 2.88 3.52 -0.19 -3.99 118.95 126.14 2f99 s ARG 120 Ca 0.03 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 54.91 2f99 s ARG 120 Cb -0.14 -2.43 -0.01 0.00 -1.56 0.00 0.00 34.95 30.81 2f99 s ARG 120 CO -0.06 0.35 -0.09 0.16 -0.81 0.00 0.00 175.30 174.86 2f99 s ASP 121 N -0.04 1.00 -0.43 -2.12 -4.77 -1.26 -0.07 116.67 108.98 2f99 s ASP 121 Ca -0.04 -0.29 0.01 0.00 -3.30 0.00 0.00 52.55 48.92 2f99 s ASP 121 Cb -0.14 -0.07 0.12 0.00 -1.09 0.00 0.00 42.92 41.74 2f99 s ASP 121 CO 0.04 0.01 0.19 0.26 0.70 0.00 0.00 175.17 176.37 2f99 s TRP 122 N -0.58 3.57 0.91 2.11 0.51 0.77 -4.97 118.94 121.26 2f99 s TRP 122 Ca -0.00 -2.78 -0.11 0.00 -2.12 0.00 0.00 56.10 51.09 2f99 s TRP 122 Cb -0.05 -3.06 0.14 0.00 -0.81 0.00 0.00 33.47 29.68 2f99 s TRP 122 CO 0.00 -0.91 1.10 -2.14 -0.51 0.00 0.00 176.95 174.48 2f99 s PRO 123 N 0.69 1.15 -1.23 4.98 0.02 -1.26 -2.13 135.00 137.22 2f99 s PRO 123 Ca 0.12 1.07 -0.17 0.00 0.02 0.00 0.00 61.00 62.04 2f99 s PRO 123 Cb -0.22 -1.78 0.11 0.00 0.02 0.00 0.00 34.50 32.64 2f99 s PRO 123 CO -0.05 -2.39 1.57 0.34 -0.33 0.00 0.00 177.00 176.15 2f99 s ASP 124 N -3.13 6.89 0.11 2.53 -1.08 -0.91 -4.84 116.67 116.24 2f99 s ASP 124 Ca 0.64 -2.56 -0.20 0.00 -0.52 0.00 0.00 52.55 49.92 2f99 s ASP 124 Cb -0.20 -2.50 -0.07 0.00 -1.46 0.00 0.00 42.92 38.68 2f99 s ASP 124 CO 0.58 -1.03 1.68 1.88 0.52 0.00 0.00 175.17 178.80 2f99 h TYR 125 N 7.65 0.30 -0.37 -5.34 -1.99 -1.92 -1.07 116.97 114.24 2f99 h TYR 125 Ca 0.37 -0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.98 2f99 h TYR 125 Cb 0.89 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.51 2f99 h TYR 125 CO 1.28 0.30 -0.16 1.96 -0.00 0.00 0.00 178.16 181.54 2f99 h GLN 126 N 0.22 0.76 -0.77 4.88 4.20 -1.99 0.25 115.11 122.66 2f99 h GLN 126 Ca 0.07 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 2f99 h GLN 126 Cb 0.10 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 2f99 h GLN 126 CO -0.01 0.94 0.37 0.78 -0.67 0.00 0.00 178.83 180.24 2f99 h GLY 127 N 0.56 1.20 0.81 3.46 0.00 -1.95 -0.97 103.07 106.17 2f99 h GLY 127 Ca 0.08 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 2f99 h GLY 127 CO 0.05 0.56 -0.03 -0.84 0.00 0.00 0.00 176.54 176.29 2f99 h THR 128 N 1.09 1.27 -0.56 4.70 2.02 -1.05 -2.13 112.91 118.26 2f99 h THR 128 Ca 0.27 -0.96 0.09 0.00 0.77 0.00 0.00 66.41 66.57 2f99 h THR 128 Cb 0.12 1.51 -0.07 0.00 -1.74 0.00 0.00 68.15 67.98 2f99 h THR 128 CO -0.03 0.29 0.19 0.22 0.37 0.00 0.00 175.52 176.56 2f99 h TYR 129 N 0.10 0.32 -0.36 3.16 3.20 -0.72 -0.17 116.97 122.50 2f99 h TYR 129 Ca 0.05 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.98 2f99 h TYR 129 Cb 0.45 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 2f99 h TYR 129 CO 0.04 0.08 0.17 0.00 -1.64 0.00 0.00 178.16 176.81 2f99 h ARG 130 N 0.36 0.34 0.00 1.82 3.08 -1.09 0.02 114.38 118.91 2f99 h ARG 130 Ca 0.28 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.28 2f99 h ARG 130 Cb 0.34 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 2f99 h ARG 130 CO -0.30 0.23 -0.13 1.96 -1.07 0.00 0.00 179.97 180.66 2f99 h GLN 131 N 0.36 0.00 -0.14 0.04 4.20 -0.66 -0.77 115.11 118.13 2f99 h GLN 131 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2f99 h GLN 131 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2f99 h GLN 131 CO -0.12 0.13 0.00 1.28 -0.67 0.00 0.00 178.83 179.46 2f99 n LEU 132 N -3.45 1.07 0.00 1.46 4.77 -0.15 -4.80 117.00 115.90 2f99 n LEU 132 Ca -0.01 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 2f99 n LEU 132 Cb 0.30 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2f99 n LEU 132 CO 0.30 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2f99 n GLY 133 N 0.94 0.40 3.65 -0.72 0.00 -0.30 -4.13 105.19 105.04 2f99 n GLY 133 Ca 0.12 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 2f99 n GLY 133 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2f99 n GLU 134 N -2.90 -1.37 -1.94 1.61 1.02 -0.05 -4.90 120.64 112.11 2f99 n GLU 134 Ca 0.00 0.49 -0.37 0.00 -0.02 0.00 0.00 57.16 57.26 2f99 n GLU 134 Cb 0.02 -4.28 0.03 0.00 -0.02 0.00 0.00 31.44 27.19 2f99 n GLU 134 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2f99 s PRO 135 N -5.85 3.20 -0.04 3.49 0.04 -1.26 -4.99 135.00 129.58 2f99 s PRO 135 Ca 0.46 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 63.28 2f99 s PRO 135 Cb -0.16 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 2f99 s PRO 135 CO 0.85 -1.08 0.75 -1.58 0.04 0.00 0.00 177.00 175.98 2f99 s TRP 136 N -1.43 3.61 0.54 0.56 0.52 -1.26 -5.04 118.94 116.43 2f99 s TRP 136 Ca 0.72 1.34 -0.22 0.00 0.02 0.00 0.00 56.10 57.97 2f99 s TRP 136 Cb -0.35 -2.85 -0.06 0.00 -1.15 0.00 0.00 33.47 29.06 2f99 s TRP 136 CO 0.41 0.10 1.23 -2.30 0.02 0.00 0.00 176.95 176.41 2f99 n PRO 137 N 3.65 1.50 0.02 4.98 -0.02 -1.26 -4.75 135.00 139.12 2f99 n PRO 137 Ca -0.00 0.55 0.11 0.00 -2.02 0.00 0.00 63.50 62.14 2f99 n PRO 137 Cb 0.51 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 2f99 n PRO 137 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2f99 n GLU 138 N -0.82 0.53 -3.55 -0.52 0.28 0.14 -4.98 120.64 111.73 2f99 n GLU 138 Ca 0.11 -0.09 -0.11 0.00 -0.16 0.00 0.00 57.16 56.90 2f99 n GLU 138 Cb 0.44 -1.59 -0.04 0.00 1.43 0.00 0.00 31.44 31.69 2f99 n GLU 138 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2f99 s THR 139 N -3.40 0.04 0.17 3.84 -1.32 -1.17 -5.10 115.64 108.71 2f99 s THR 139 Ca -0.03 -0.34 -0.30 0.00 -1.21 0.00 0.00 61.69 59.80 2f99 s THR 139 Cb 0.13 -1.09 -0.08 0.00 -1.51 0.00 0.00 72.50 69.96 2f99 s THR 139 CO 0.87 -0.19 1.21 -1.61 -2.21 0.00 0.00 174.62 172.68 2f99 s GLU 140 N -3.68 4.48 0.00 7.08 2.02 -1.26 -4.37 118.70 122.96 2f99 s GLU 140 Ca 0.02 1.87 0.03 0.00 0.02 0.00 0.00 54.97 56.91 2f99 s GLU 140 Cb 0.01 -3.25 0.19 0.00 0.10 0.00 0.00 34.13 31.17 2f99 s GLU 140 CO -0.12 -0.12 0.67 1.58 0.02 0.00 0.00 175.26 177.29