#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f99 s SER 2 N 0.00 6.08 0.32 6.15 0.15 -1.26 -4.95 113.70 120.19 2f99 s SER 2 Ca 0.00 -0.00 0.01 0.00 0.70 0.00 0.00 55.95 56.65 2f99 s SER 2 Cb 0.00 -2.15 0.54 0.00 -1.71 0.00 0.00 66.02 62.71 2f99 s SER 2 CO 0.00 -0.11 1.95 -0.33 1.20 0.00 0.00 173.24 175.94 2f99 h GLU 3 N 8.35 0.86 -0.12 5.44 4.39 -2.01 -0.96 114.58 130.53 2f99 h GLU 3 Ca -0.34 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.27 2f99 h GLU 3 Cb 1.18 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2f99 h GLU 3 CO 0.59 0.63 0.04 1.96 -1.16 0.00 0.00 179.01 181.06 2f99 h GLN 4 N 0.87 0.18 -0.58 2.33 4.20 -1.93 -0.45 115.11 119.72 2f99 h GLN 4 Ca 0.22 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.80 2f99 h GLN 4 Cb 0.02 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2f99 h GLN 4 CO -0.04 0.31 -0.01 0.82 -0.67 0.00 0.00 178.83 179.25 2f99 h ILE 5 N 0.01 1.26 -0.70 2.54 2.04 -1.93 -1.58 117.51 119.14 2f99 h ILE 5 Ca 0.04 -1.14 0.04 0.00 1.00 0.00 0.00 64.86 64.80 2f99 h ILE 5 Cb 0.21 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 2f99 h ILE 5 CO -0.00 0.41 0.42 0.00 0.00 0.00 0.00 178.15 178.98 2f99 h ALA 6 N 1.05 0.93 -0.53 1.87 0.00 -1.05 -0.31 119.26 121.21 2f99 h ALA 6 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2f99 h ALA 6 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2f99 h ALA 6 CO 0.03 0.16 0.23 0.00 0.00 0.00 0.00 179.25 179.67 2f99 h ALA 7 N 1.32 0.69 -0.77 0.00 0.00 -0.61 -1.51 119.26 118.38 2f99 h ALA 7 Ca 0.30 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2f99 h ALA 7 Cb 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2f99 h ALA 7 CO -0.14 0.29 0.29 0.28 0.00 0.00 0.00 179.25 179.97 2f99 h VAL 8 N 0.72 1.26 -0.23 0.00 2.07 -0.91 -1.99 116.25 117.18 2f99 h VAL 8 Ca 0.18 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 2f99 h VAL 8 Cb 0.17 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2f99 h VAL 8 CO -0.02 0.34 0.07 0.03 0.02 0.00 0.00 177.57 178.01 2f99 h ARG 9 N 1.13 0.32 -0.55 1.57 3.08 -0.72 -0.30 114.38 118.92 2f99 h ARG 9 Ca 0.26 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.18 2f99 h ARG 9 Cb 0.24 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2f99 h ARG 9 CO -0.02 0.29 -0.01 0.00 -1.07 0.00 0.00 179.97 179.17 2f99 h ARG 10 N 0.32 0.97 -0.32 0.04 3.08 -0.63 -0.68 114.38 117.17 2f99 h ARG 10 Ca 0.08 -0.32 0.05 0.00 0.07 0.00 0.00 59.98 59.86 2f99 h ARG 10 Cb 0.11 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 2f99 h ARG 10 CO -0.01 0.98 0.07 1.98 -1.07 0.00 0.00 179.97 181.93 2f99 h MET 11 N 0.85 0.18 -0.48 0.04 4.05 -0.68 -0.73 114.93 118.16 2f99 h MET 11 Ca 0.15 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.55 2f99 h MET 11 Cb 0.55 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 2f99 h MET 11 CO 0.03 0.12 0.24 0.28 0.23 0.00 0.00 176.91 177.81 2f99 h VAL 12 N 0.18 1.19 -0.67 -5.77 2.07 -0.91 -2.28 116.25 110.05 2f99 h VAL 12 Ca 0.15 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.19 2f99 h VAL 12 Cb 0.16 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2f99 h VAL 12 CO -0.19 0.21 0.44 -0.08 0.02 0.00 0.00 177.57 177.97 2f99 h GLU 13 N 0.64 0.75 -0.79 1.57 4.57 -0.81 -2.06 114.58 118.45 2f99 h GLU 13 Ca 0.17 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 2f99 h GLU 13 Cb 0.11 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 2f99 h GLU 13 CO -0.02 0.50 0.37 0.00 -1.18 0.00 0.00 179.01 178.67 2f99 h ALA 14 N 1.62 1.02 -0.85 2.92 0.00 -0.56 0.54 119.26 123.94 2f99 h ALA 14 Ca 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2f99 h ALA 14 Cb 0.12 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 2f99 h ALA 14 CO -0.08 0.59 0.48 1.88 0.00 0.00 0.00 179.25 182.12 2f99 h TYR 15 N 1.12 1.15 -0.02 0.00 -1.99 -1.13 0.13 116.97 116.22 2f99 h TYR 15 Ca 0.27 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.97 2f99 h TYR 15 Cb 0.14 -0.37 -0.00 0.00 2.00 0.00 0.00 36.73 38.50 2f99 h TYR 15 CO 0.01 0.78 -0.03 -0.91 -0.00 0.00 0.00 178.16 178.01 2f99 h ASN 16 N 1.18 0.07 1.08 3.88 2.35 -0.99 -3.33 115.58 119.81 2f99 h ASN 16 Ca 0.30 -0.53 -0.14 0.00 -0.55 0.00 0.00 56.30 55.38 2f99 h ASN 16 Cb 0.00 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2f99 h ASN 16 CO -0.05 0.58 -0.98 0.71 -1.65 0.00 0.00 177.43 176.04 2f99 h THR 17 N -0.44 0.72 0.00 2.81 1.35 -0.92 -3.47 112.91 112.96 2f99 h THR 17 Ca 0.00 -2.16 0.00 0.00 -0.55 0.00 0.00 66.41 63.70 2f99 h THR 17 Cb 0.57 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 2f99 h THR 17 CO 0.01 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.30 2f99 n GLY 18 N 1.31 0.65 3.51 5.82 0.00 0.45 -4.99 105.19 111.94 2f99 n GLY 18 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.30 3.29 -0.08 1.61 1.02 -1.25 -4.90 119.74 119.12 2f99 s LYS 19 Ca 0.00 -0.40 0.12 0.00 0.02 0.00 0.00 55.97 55.71 2f99 s LYS 19 Cb 0.00 -4.01 0.19 0.00 -0.52 0.00 0.00 37.83 33.49 2f99 s LYS 19 CO 0.00 -1.20 1.09 0.25 -0.92 0.00 0.00 175.35 174.56 2f99 n THR 20 N 5.95 1.49 0.25 2.17 -2.24 -1.26 -4.66 114.28 115.99 2f99 n THR 20 Ca -0.01 -1.74 0.10 0.00 -2.27 0.00 0.00 64.05 60.13 2f99 n THR 20 Cb 0.47 0.03 0.67 0.00 -2.10 0.00 0.00 70.33 69.40 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 0.00 0.00 -0.44 3.42 3.45 -2.02 -2.92 116.42 117.91 2f99 h ASP 21 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2f99 h ASP 21 Cb 0.89 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.66 2f99 h ASP 21 CO 0.00 0.12 0.00 -0.90 -1.57 0.00 0.00 179.24 176.89 2f99 n ASP 22 N -3.96 4.26 0.29 6.45 3.85 -1.26 -4.68 116.55 121.50 2f99 n ASP 22 Ca -0.02 -2.65 0.14 0.00 -0.71 0.00 0.00 54.79 51.54 2f99 n ASP 22 Cb 0.21 -0.52 0.84 0.00 -1.35 0.00 0.00 41.12 40.30 2f99 n ASP 22 CO 0.00 0.00 0.00 -0.37 -1.01 0.00 0.00 177.20 175.82 2f99 h VAL 23 N 2.86 0.60 0.00 2.12 -1.51 -1.87 -1.34 116.25 117.11 2f99 h VAL 23 Ca 0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 2f99 h VAL 23 Cb 1.40 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 2f99 h VAL 23 CO 0.23 0.03 0.00 0.00 -1.23 0.00 0.00 177.57 176.60 2f99 h ALA 24 N 1.97 1.00 -0.41 5.19 0.00 -1.83 0.06 119.26 125.24 2f99 h ALA 24 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2f99 h ALA 24 Cb 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2f99 h ALA 24 CO 0.00 0.00 0.17 -0.44 0.00 0.00 0.00 179.25 178.98 2f99 h ASP 25 N 0.00 0.53 0.00 0.00 3.45 -1.62 -3.36 116.42 115.41 2f99 h ASP 25 Ca 0.00 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.41 2f99 h ASP 25 Cb 0.14 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 2f99 h ASP 25 CO 0.00 0.48 0.00 0.00 -1.57 0.00 0.00 179.24 178.15 2f99 n TYR 26 N -4.38 0.00 -3.83 4.55 0.18 -0.88 -4.96 117.16 107.84 2f99 n TYR 26 Ca 0.03 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.45 2f99 n TYR 26 Cb 0.14 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.00 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 -0.30 4.93 0.44 -3.48 -1.09 -0.04 -0.72 121.20 120.95 2f99 s ILE 27 Ca 0.00 0.03 -0.24 0.00 -2.23 0.00 0.00 60.65 58.20 2f99 s ILE 27 Cb 0.00 -3.27 -0.08 0.00 -1.58 0.00 0.00 42.46 37.54 2f99 s ILE 27 CO 0.00 0.39 1.25 -2.28 -1.23 0.00 0.00 174.94 173.08 2f99 s HIS 28 N 0.86 2.78 0.54 3.97 2.46 -0.09 -4.51 115.29 121.31 2f99 s HIS 28 Ca 0.05 1.46 0.30 0.00 0.47 0.00 0.00 55.06 57.35 2f99 s HIS 28 Cb -0.13 -3.57 1.47 0.00 -0.13 0.00 0.00 32.58 30.22 2f99 s HIS 28 CO 0.03 -1.94 1.91 -1.35 -2.47 0.00 0.00 174.74 170.91 2f99 h PRO 29 N 2.28 0.00 -0.58 2.88 0.11 -1.93 -0.72 132.00 134.04 2f99 h PRO 29 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2f99 h PRO 29 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2f99 h PRO 29 CO 0.61 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.79 2f99 n GLU 30 N -4.24 3.60 -1.57 1.05 -0.58 -1.26 -3.14 120.64 114.51 2f99 n GLU 30 Ca 0.16 -2.82 -0.52 0.00 -0.42 0.00 0.00 57.16 53.57 2f99 n GLU 30 Cb 0.89 -1.84 -0.05 0.00 -0.57 0.00 0.00 31.44 29.87 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 0.91 1.27 -4.16 -0.32 9.36 -0.27 -4.58 117.16 119.36 2f99 n TYR 31 Ca 0.24 0.71 -0.16 0.00 3.32 0.00 0.00 57.90 62.02 2f99 n TYR 31 Cb 0.85 -2.27 -0.13 0.00 -0.63 0.00 0.00 39.34 37.16 2f99 n TYR 31 CO 0.00 0.00 0.00 1.41 0.22 0.00 0.00 176.86 178.49 2f99 s MET 32 N 0.06 0.58 -0.21 2.98 -2.45 -0.95 -0.64 119.30 118.68 2f99 s MET 32 Ca 0.80 -0.56 -0.03 0.00 -1.25 0.00 0.00 55.69 54.66 2f99 s MET 32 Cb -0.95 -0.48 0.07 0.00 1.25 0.00 0.00 34.83 34.72 2f99 s MET 32 CO 0.50 0.11 0.05 1.21 1.05 0.00 0.00 175.02 177.95 2f99 s ASN 33 N -0.97 3.01 0.62 1.11 3.84 -1.26 -1.41 114.94 119.88 2f99 s ASN 33 Ca -0.03 -0.92 0.40 0.00 0.21 0.00 0.00 52.86 52.52 2f99 s ASN 33 Cb -0.07 -0.57 2.05 0.00 -0.55 0.00 0.00 41.25 42.11 2f99 s ASN 33 CO 0.00 -0.33 2.22 1.55 -2.79 0.00 0.00 177.10 177.76 2f99 h PRO 34 N 8.26 0.00 0.00 0.43 0.13 -2.01 -2.04 132.00 136.77 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 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2f99 h PRO 34 CO 0.35 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.53 2f99 n GLY 35 N -0.72 -1.08 0.00 1.56 0.00 -1.26 -2.79 105.19 100.90 2f99 n GLY 35 Ca -0.02 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.25 2f99 n GLY 35 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2f99 n THR 36 N -2.24 0.00 -0.16 2.61 -2.24 -0.76 -4.58 114.28 106.90 2f99 n THR 36 Ca 0.00 -0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 2f99 n THR 36 Cb 0.14 0.63 0.39 0.00 -2.10 0.00 0.00 70.33 69.38 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 0.02 0.59 -2.32 3.22 3.38 -1.68 0.51 115.31 119.03 2f99 h LEU 37 Ca 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2f99 h LEU 37 Cb 0.50 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2f99 h LEU 37 CO 0.00 0.38 -0.01 -0.08 0.09 0.00 0.00 178.44 178.82 2f99 h GLU 38 N 0.67 0.00 0.00 1.13 4.81 -1.84 -3.26 114.58 116.09 2f99 h GLU 38 Ca 0.31 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.28 2f99 h GLU 38 Cb 0.33 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 2f99 h GLU 38 CO -0.10 0.01 -2.12 1.19 -0.73 0.00 0.00 179.01 177.26 2f99 n PHE 39 N -4.04 0.00 -3.51 0.92 3.01 0.13 -5.05 117.46 108.91 2f99 n PHE 39 Ca -0.03 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.33 2f99 n PHE 39 Cb 0.09 -0.77 -0.03 0.00 -0.01 0.00 0.00 39.48 38.76 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 -2.56 0.00 -1.24 4.37 -1.32 -0.94 -5.04 115.64 108.91 2f99 s THR 40 Ca -0.08 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.54 2f99 s THR 40 Cb 0.06 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.46 2f99 s THR 40 CO 0.71 0.00 1.34 -1.54 -2.21 0.00 0.00 174.62 172.92 2f99 n SER 41 N 0.08 3.23 -4.73 8.08 3.41 -1.26 -4.29 113.62 118.13 2f99 n SER 41 Ca -0.11 -2.00 -0.33 0.00 -0.26 0.00 0.00 58.87 56.17 2f99 n SER 41 Cb 0.61 -0.31 0.09 0.00 -0.26 0.00 0.00 64.21 64.35 2f99 n SER 41 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2f99 s LEU 42 N -1.00 3.22 0.29 1.04 1.43 -1.26 -5.07 118.68 117.32 2f99 s LEU 42 Ca 0.31 2.17 0.03 0.00 -1.03 0.00 0.00 54.13 55.61 2f99 s LEU 42 Cb 0.16 -4.57 -0.06 0.00 0.03 0.00 0.00 46.19 41.76 2f99 s LEU 42 CO 0.21 -2.21 0.07 -0.13 0.23 0.00 0.00 176.35 174.52 2f99 s ARG 43 N -4.20 1.52 1.72 1.70 0.52 -1.26 -4.77 118.95 114.17 2f99 s ARG 43 Ca 0.70 -1.83 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 2f99 s ARG 43 Cb -0.24 -0.56 0.00 0.00 0.52 0.00 0.00 34.95 34.66 2f99 s ARG 43 CO 0.48 -0.23 0.00 0.41 0.02 0.00 0.00 175.30 175.97 2f99 n GLY 44 N -0.56 -1.47 0.38 -3.53 0.00 0.19 -3.20 105.19 96.99 2f99 n GLY 44 Ca -0.01 -1.29 0.15 0.00 0.00 0.00 0.00 46.02 44.86 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 0.52 -0.68 1.61 0.11 -1.79 -1.38 132.00 130.39 2f99 h PRO 45 Ca 0.00 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.11 2f99 h PRO 45 Cb 0.00 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 30.95 2f99 h PRO 45 CO 0.00 0.34 0.42 0.93 -0.21 0.00 0.00 178.00 179.48 2f99 h GLU 46 N 0.53 0.78 -0.18 1.05 3.07 -1.95 -0.58 114.58 117.31 2f99 h GLU 46 Ca 0.43 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.23 2f99 h GLU 46 Cb 0.87 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 2f99 h GLU 46 CO -0.17 0.52 0.08 1.25 -1.40 0.00 0.00 179.01 179.29 2f99 h LEU 47 N 0.80 0.24 -0.32 1.33 5.85 -1.22 -1.50 115.31 120.51 2f99 h LEU 47 Ca 0.28 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.88 2f99 h LEU 47 Cb 0.05 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2f99 h LEU 47 CO -0.12 0.32 0.16 0.15 -0.34 0.00 0.00 178.44 178.60 2f99 h PHE 48 N 0.16 0.29 -0.97 1.25 3.57 -1.27 -1.26 116.94 118.71 2f99 h PHE 48 Ca 0.06 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.60 2f99 h PHE 48 Cb 0.14 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 2f99 h PHE 48 CO -0.02 0.16 0.64 0.00 -2.23 0.00 0.00 178.31 176.85 2f99 h ALA 49 N 1.17 1.34 -0.75 2.41 0.00 -1.01 -1.20 119.26 121.22 2f99 h ALA 49 Ca 0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2f99 h ALA 49 Cb 0.05 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2f99 h ALA 49 CO -0.09 0.59 0.32 0.82 0.00 0.00 0.00 179.25 180.88 2f99 h ILE 50 N 1.26 1.25 -0.23 0.00 1.08 -0.94 -1.37 117.51 118.57 2f99 h ILE 50 Ca 0.37 -0.76 -0.00 0.00 -0.39 0.00 0.00 64.86 64.08 2f99 h ILE 50 Cb -0.07 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.02 2f99 h ILE 50 CO -0.10 0.31 0.13 -1.13 -0.69 0.00 0.00 178.15 176.68 2f99 h ASN 51 N 1.07 0.27 -0.39 1.72 -0.00 -0.30 -0.61 115.58 117.34 2f99 h ASN 51 Ca 0.25 -0.06 0.02 0.00 -0.00 0.00 0.00 56.30 56.52 2f99 h ASN 51 Cb 0.18 -0.07 -0.03 0.00 -0.00 0.00 0.00 38.32 38.40 2f99 h ASN 51 CO -0.02 0.25 0.22 0.58 -0.00 0.00 0.00 177.43 178.46 2f99 h VAL 52 N 0.27 1.02 -0.73 2.57 2.07 -1.11 -1.57 116.25 118.77 2f99 h VAL 52 Ca 0.08 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.48 2f99 h VAL 52 Cb 0.03 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 2f99 h VAL 52 CO -0.01 0.08 0.46 0.00 0.02 0.00 0.00 177.57 178.12 2f99 h ALA 53 N 1.18 0.97 -0.61 1.67 0.00 -0.98 -1.98 119.26 119.51 2f99 h ALA 53 Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2f99 h ALA 53 Cb 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2f99 h ALA 53 CO -0.09 0.24 0.29 2.35 0.00 0.00 0.00 179.25 182.05 2f99 h TRP 54 N 0.89 0.87 -0.35 0.00 7.01 -0.70 -0.41 115.95 123.26 2f99 h TRP 54 Ca 0.30 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.27 2f99 h TRP 54 Cb 0.03 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 26.80 2f99 h TRP 54 CO -0.04 0.66 0.22 0.28 -2.79 0.00 0.00 178.44 176.77 2f99 h VAL 55 N 0.83 1.06 -0.56 2.65 2.07 -0.91 0.72 116.25 122.12 2f99 h VAL 55 Ca 0.21 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 2f99 h VAL 55 Cb 0.11 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2f99 h VAL 55 CO -0.03 0.08 0.08 0.11 0.02 0.00 0.00 177.57 177.83 2f99 h LYS 56 N 0.44 0.90 -0.28 1.57 6.56 -1.14 0.15 116.57 124.77 2f99 h LYS 56 Ca 0.13 -0.22 -0.14 0.00 -1.06 0.00 0.00 60.65 59.37 2f99 h LYS 56 Cb -0.02 -0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 31.52 2f99 h LYS 56 CO -0.05 0.84 -0.36 -0.22 -2.06 0.00 0.00 179.45 177.60 2f99 h LYS 57 N 0.85 0.73 0.10 3.15 3.64 -0.77 -2.09 116.57 122.19 2f99 h LYS 57 Ca 0.17 -0.42 -0.33 0.00 -1.27 0.00 0.00 60.65 58.80 2f99 h LYS 57 Cb 0.39 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2f99 h LYS 57 CO 0.01 1.04 -1.77 1.15 -2.27 0.00 0.00 179.45 177.61 2f99 h THR 58 N 0.48 0.86 -0.22 1.00 2.02 -0.80 -3.29 112.91 112.95 2f99 h THR 58 Ca 0.03 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.64 2f99 h THR 58 Cb 0.95 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.95 2f99 h THR 58 CO 0.09 0.79 0.00 0.49 0.37 0.00 0.00 175.52 177.25 2f99 n PHE 59 N -3.39 0.37 0.00 3.16 3.72 0.50 -1.00 117.46 120.82 2f99 n PHE 59 Ca -0.23 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 56.58 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 -0.03 0.00 0.29 4.37 3.41 -0.79 -1.45 113.62 119.42 2f99 n SER 60 Ca 0.10 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.84 2f99 n SER 60 Cb 0.45 0.34 0.83 0.00 -0.26 0.00 0.00 64.21 65.57 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 -0.00 4.33 4.39 -1.87 -2.02 114.58 119.40 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 0.00 -0.01 0.39 -1.16 0.00 0.00 179.01 178.23 2f99 n GLU 62 N -4.08 0.80 -1.73 2.33 4.71 -1.26 -4.89 120.64 116.53 2f99 n GLU 62 Ca -0.03 -0.06 -0.42 0.00 -0.01 0.00 0.00 57.16 56.64 2f99 n GLU 62 Cb 0.08 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 29.01 2f99 n GLU 62 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2f99 n ALA 63 N -1.05 1.67 -2.71 0.62 0.00 -0.76 -4.89 120.51 113.39 2f99 n ALA 63 Ca 0.20 0.35 -0.18 0.00 0.00 0.00 0.00 53.44 53.81 2f99 n ALA 63 Cb 0.18 -2.31 -0.13 0.00 0.00 0.00 0.00 19.45 17.19 2f99 n ALA 63 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2f99 s ARG 64 N -1.96 0.78 -0.27 0.00 1.81 -0.08 -4.68 118.95 114.55 2f99 s ARG 64 Ca 0.55 -0.78 0.03 0.00 -1.72 0.00 0.00 55.73 53.80 2f99 s ARG 64 Cb -0.54 -0.74 0.07 0.00 -0.45 0.00 0.00 34.95 33.29 2f99 s ARG 64 CO 0.63 0.17 -0.07 -0.51 -0.68 0.00 0.00 175.30 174.84 2f99 s LEU 65 N -1.34 3.51 0.05 2.53 1.43 -1.26 -0.48 118.68 123.12 2f99 s LEU 65 Ca -0.02 -1.49 -0.13 0.00 -1.03 0.00 0.00 54.13 51.46 2f99 s LEU 65 Cb -0.09 -1.49 -0.06 0.00 0.03 0.00 0.00 46.19 44.58 2f99 s LEU 65 CO 0.01 -0.23 0.44 -1.61 0.23 0.00 0.00 176.35 175.19 2f99 s GLU 66 N 1.12 3.90 -0.18 1.70 0.41 0.36 -4.86 118.70 121.14 2f99 s GLU 66 Ca -0.05 0.37 -0.22 0.00 -0.41 0.00 0.00 54.97 54.66 2f99 s GLU 66 Cb -0.20 -3.11 -0.02 0.00 -1.78 0.00 0.00 34.13 29.03 2f99 s GLU 66 CO -0.06 0.61 0.69 -2.00 -0.49 0.00 0.00 175.26 174.02 2f99 s GLU 67 N -1.48 4.25 -0.21 1.61 2.12 -1.26 -0.61 118.70 123.12 2f99 s GLU 67 Ca 0.29 0.75 -0.17 0.00 0.36 0.00 0.00 54.97 56.20 2f99 s GLU 67 Cb -0.16 -3.57 -0.18 0.00 0.26 0.00 0.00 34.13 30.48 2f99 s GLU 67 CO 0.16 -0.24 0.09 0.28 -0.54 0.00 0.00 175.26 175.01 2f99 n VAL 68 N 4.64 1.57 -3.59 3.70 0.31 0.22 -4.97 118.33 120.21 2f99 n VAL 68 Ca 0.00 -0.22 -0.08 0.00 -0.01 0.00 0.00 64.34 64.04 2f99 n VAL 68 Cb 0.50 -1.94 -0.04 0.00 -0.91 0.00 0.00 33.84 31.44 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 -5.17 -0.21 -0.03 2.92 0.00 -0.87 -5.01 107.32 98.96 2f99 s GLY 69 Ca -0.30 2.08 0.01 0.00 0.00 0.00 0.00 44.72 46.51 2f99 s GLY 69 CO 0.60 0.94 -0.02 -0.42 0.00 0.00 0.00 173.10 174.19 2f99 s ILE 70 N -1.38 0.34 0.23 0.90 1.01 -1.26 -0.18 121.20 120.85 2f99 s ILE 70 Ca 0.02 -0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.67 2f99 s ILE 70 Cb -0.01 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 42.03 2f99 s ILE 70 CO -0.02 0.16 -0.01 -1.83 0.00 0.00 0.00 174.94 173.25 2f99 s GLU 71 N 0.75 1.34 0.05 2.79 1.03 -0.32 -5.00 118.70 119.33 2f99 s GLU 71 Ca -0.09 -1.67 0.00 0.00 0.03 0.00 0.00 54.97 53.24 2f99 s GLU 71 Cb -0.12 -0.62 -0.03 0.00 -0.80 0.00 0.00 34.13 32.56 2f99 s GLU 71 CO -0.01 -0.09 -0.04 -1.83 -1.33 0.00 0.00 175.26 171.96 2f99 s GLU 72 N -3.86 0.53 -0.19 -4.83 -1.05 -1.26 -0.85 118.70 107.19 2f99 s GLU 72 Ca 0.28 -0.95 -0.04 0.00 -0.15 0.00 0.00 54.97 54.11 2f99 s GLU 72 Cb 0.06 0.02 0.09 0.00 -0.44 0.00 0.00 34.13 33.86 2f99 s GLU 72 CO 0.09 -0.05 0.29 0.50 0.95 0.00 0.00 175.26 177.04 2f99 s ARG 73 N -2.66 0.23 4.48 -4.83 3.52 -0.44 -5.01 118.95 114.24 2f99 s ARG 73 Ca -0.03 0.53 0.00 0.00 -0.13 0.00 0.00 55.73 56.10 2f99 s ARG 73 Cb -0.02 -0.51 0.00 0.00 -1.56 0.00 0.00 34.95 32.86 2f99 s ARG 73 CO -0.04 -0.50 0.00 0.00 -0.81 0.00 0.00 175.30 173.95 2f99 n ALA 74 N 5.35 0.00 0.25 6.12 0.00 -1.26 -1.57 120.51 129.39 2f99 n ALA 74 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.43 2f99 n ALA 74 Cb 0.50 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.15 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 4.80 3.04 -4.42 0.00 8.00 -1.26 -4.89 116.55 121.83 2f99 n ASP 75 Ca 0.00 -2.34 -0.30 0.00 0.71 0.00 0.00 54.79 52.86 2f99 n ASP 75 Cb 0.00 -0.49 -0.13 0.00 -0.02 0.00 0.00 41.12 40.48 2f99 n ASP 75 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2f99 s TRP 76 N -1.79 2.46 -0.03 1.24 0.52 -0.61 -0.49 118.94 120.26 2f99 s TRP 76 Ca 0.28 -0.31 0.04 0.00 0.02 0.00 0.00 56.10 56.12 2f99 s TRP 76 Cb 0.19 -1.41 -0.01 0.00 -1.15 0.00 0.00 33.47 31.09 2f99 s TRP 76 CO 0.11 0.24 -0.15 0.08 0.02 0.00 0.00 176.95 177.25 2f99 s VAL 77 N -0.92 1.19 -0.17 4.03 1.01 0.56 -1.33 120.40 124.77 2f99 s VAL 77 Ca 0.14 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 2f99 s VAL 77 Cb -0.10 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 2f99 s VAL 77 CO 0.05 0.35 -0.10 -0.60 0.00 0.00 0.00 175.10 174.79 2f99 s ARG 78 N -0.09 3.34 -0.15 2.72 3.52 -0.03 -0.71 118.95 127.55 2f99 s ARG 78 Ca 0.00 -0.68 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 2f99 s ARG 78 Cb -0.09 -2.77 -0.01 0.00 -1.56 0.00 0.00 34.95 30.53 2f99 s ARG 78 CO 0.01 0.01 -0.14 0.00 -0.81 0.00 0.00 175.30 174.36 2f99 s ALA 79 N 0.89 2.53 -0.32 6.12 0.00 -0.18 -1.17 121.76 129.63 2f99 s ALA 79 Ca -0.03 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.85 2f99 s ALA 79 Cb -0.15 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.76 2f99 s ALA 79 CO -0.00 0.05 0.13 1.03 0.00 0.00 0.00 175.76 176.97 2f99 s ARG 80 N 0.68 3.11 0.28 0.00 0.52 0.74 -0.77 118.95 123.52 2f99 s ARG 80 Ca -0.07 -0.86 0.04 0.00 -0.52 0.00 0.00 55.73 54.31 2f99 s ARG 80 Cb -0.16 -3.52 -0.06 0.00 0.52 0.00 0.00 34.95 31.74 2f99 s ARG 80 CO 0.02 -0.49 0.03 -0.51 0.02 0.00 0.00 175.30 174.37 2f99 s LEU 81 N 1.55 2.14 -0.09 2.53 1.43 -0.51 -0.61 118.68 125.11 2f99 s LEU 81 Ca 0.03 -1.31 -0.00 0.00 -1.03 0.00 0.00 54.13 51.82 2f99 s LEU 81 Cb -0.18 -0.31 0.02 0.00 0.03 0.00 0.00 46.19 45.75 2f99 s LEU 81 CO 0.05 -0.57 -0.06 -0.69 0.23 0.00 0.00 176.35 175.31 2f99 s VAL 82 N -3.37 0.82 -0.07 -1.59 1.01 0.22 -0.24 120.40 117.18 2f99 s VAL 82 Ca 0.33 -0.20 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 2f99 s VAL 82 Cb 0.07 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2f99 s VAL 82 CO 0.13 0.32 0.63 -0.22 0.00 0.00 0.00 175.10 175.96 2f99 s LEU 83 N 1.51 4.32 -0.09 3.92 2.96 0.01 -0.49 118.68 130.83 2f99 s LEU 83 Ca 0.00 1.09 0.03 0.00 -0.22 0.00 0.00 54.13 55.03 2f99 s LEU 83 Cb -0.13 -2.96 -0.01 0.00 0.50 0.00 0.00 46.19 43.58 2f99 s LEU 83 CO -0.05 -0.06 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.42 2f99 s TYR 84 N 0.62 2.63 0.08 5.38 2.02 0.37 -0.76 117.35 127.70 2f99 s TYR 84 Ca 0.34 -0.71 -0.03 0.00 -0.37 0.00 0.00 57.07 56.30 2f99 s TYR 84 Cb -0.17 -1.72 0.01 0.00 -0.40 0.00 0.00 41.96 39.68 2f99 s TYR 84 CO 0.16 -0.22 0.16 0.41 -1.57 0.00 0.00 175.55 174.49 2f99 n GLY 85 N 3.22 1.97 2.84 0.71 0.00 -0.48 -0.90 105.19 112.55 2f99 n GLY 85 Ca -0.18 -1.12 -0.20 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.04 0.61 -0.84 1.61 3.52 -0.53 -1.46 118.95 119.82 2f99 s ARG 86 Ca 0.04 -0.00 -0.25 0.00 -0.13 0.00 0.00 55.73 55.39 2f99 s ARG 86 Cb -0.01 -0.74 -0.02 0.00 -1.56 0.00 0.00 34.95 32.62 2f99 s ARG 86 CO 0.03 -0.14 1.79 -1.58 -0.81 0.00 0.00 175.30 174.59 2f99 s HIS 87 N 1.16 1.93 -0.28 5.12 5.65 -0.17 -3.41 115.29 125.29 2f99 s HIS 87 Ca -0.07 0.37 0.07 0.00 0.25 0.00 0.00 55.06 55.68 2f99 s HIS 87 Cb -0.14 -4.21 -0.08 0.00 -1.18 0.00 0.00 32.58 26.97 2f99 s HIS 87 CO -0.02 -1.94 0.28 1.33 -0.65 0.00 0.00 174.74 173.74 2f99 n VAL 88 N 7.43 0.00 -4.38 0.89 0.24 -0.17 -0.33 118.33 122.02 2f99 n VAL 88 Ca 0.31 -0.30 -0.23 0.00 -2.04 0.00 0.00 64.34 62.08 2f99 n VAL 88 Cb 0.49 0.88 -0.11 0.00 -1.47 0.00 0.00 33.84 33.63 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 -1.88 1.55 0.16 7.63 0.00 -0.78 -4.77 107.32 109.24 2f99 s GLY 89 Ca 0.02 -1.60 -0.34 0.00 0.00 0.00 0.00 44.72 42.80 2f99 s GLY 89 CO 0.29 -1.66 1.41 -2.21 0.00 0.00 0.00 173.10 170.93 2f99 n GLU 90 N 0.08 1.69 -3.94 2.90 4.07 -1.26 -4.33 120.64 119.85 2f99 n GLU 90 Ca -0.11 0.61 -0.31 0.00 -0.06 0.00 0.00 57.16 57.29 2f99 n GLU 90 Cb 0.58 -2.27 -0.15 0.00 -0.06 0.00 0.00 31.44 29.53 2f99 n GLU 90 CO 0.00 0.00 0.00 1.41 -0.06 0.00 0.00 177.13 178.48 2f99 s MET 91 N 0.28 1.48 -1.09 5.31 -2.45 -0.17 -4.81 119.30 117.85 2f99 s MET 91 Ca 0.77 -1.29 -0.07 0.00 -1.25 0.00 0.00 55.69 53.85 2f99 s MET 91 Cb -0.77 -2.68 0.01 0.00 1.25 0.00 0.00 34.83 32.63 2f99 s MET 91 CO 0.45 -0.76 0.13 1.33 1.05 0.00 0.00 175.02 177.22 2f99 n VAL 92 N 4.56 -1.04 -0.63 10.11 0.24 -1.26 -0.76 118.33 129.56 2f99 n VAL 92 Ca -0.06 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 2f99 n VAL 92 Cb 0.43 -0.97 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 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 -2.08 0.74 3.51 7.63 0.00 -1.26 -4.89 105.19 108.84 2f99 n GLY 93 Ca -0.20 0.00 -0.36 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 -0.37 3.77 0.59 1.61 -1.94 0.06 -0.26 119.30 122.76 2f99 s MET 94 Ca 0.00 -0.43 -0.19 0.00 -1.71 0.00 0.00 55.69 53.36 2f99 s MET 94 Cb 0.00 -3.32 -0.03 0.00 2.01 0.00 0.00 34.83 33.49 2f99 s MET 94 CO 0.00 -0.05 1.24 0.00 -0.01 0.00 0.00 175.02 176.20 2f99 s ALA 95 N 1.27 2.56 0.21 3.03 0.00 -1.26 -1.00 121.76 126.56 2f99 s ALA 95 Ca 0.05 1.09 -0.32 0.00 0.00 0.00 0.00 51.96 52.78 2f99 s ALA 95 Cb -0.15 -3.49 -0.14 0.00 0.00 0.00 0.00 23.12 19.35 2f99 s ALA 95 CO 0.04 -1.27 1.41 -2.30 0.00 0.00 0.00 175.76 173.64 2f99 n PRO 96 N -1.54 1.90 -0.00 0.00 -0.02 -1.26 -4.85 135.00 129.23 2f99 n PRO 96 Ca 0.13 0.68 0.10 0.00 -2.02 0.00 0.00 63.50 62.40 2f99 n PRO 96 Cb 0.49 -2.34 -0.14 0.00 -0.02 0.00 0.00 33.50 31.49 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 2.19 0.00 -1.01 3.45 -2.24 -1.13 -4.98 114.28 110.56 2f99 n THR 97 Ca 0.13 -0.22 -0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2f99 n THR 97 Cb 0.29 0.56 -0.00 0.00 -2.10 0.00 0.00 70.33 69.08 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 1.40 0.23 3.79 3.38 0.00 0.55 -4.99 105.19 109.56 2f99 n GLY 98 Ca 0.00 -0.01 -0.39 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 -1.23 4.24 0.61 1.61 0.52 -1.25 -4.68 118.95 118.76 2f99 s ARG 99 Ca 0.00 0.74 -0.18 0.00 -0.52 0.00 0.00 55.73 55.77 2f99 s ARG 99 Cb 0.00 -3.27 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 2f99 s ARG 99 CO 0.00 0.55 1.19 -0.51 0.02 0.00 0.00 175.30 176.55 2f99 s LEU 100 N -0.81 3.61 0.15 2.53 1.43 -1.26 -1.00 118.68 123.33 2f99 s LEU 100 Ca 0.30 2.33 -0.19 0.00 -1.03 0.00 0.00 54.13 55.53 2f99 s LEU 100 Cb -0.19 -4.59 0.05 0.00 0.03 0.00 0.00 46.19 41.49 2f99 s LEU 100 CO 0.18 -1.62 0.49 0.72 0.23 0.00 0.00 176.35 176.35 2f99 s PHE 101 N -1.72 -0.33 -0.13 0.29 -0.12 -0.54 -4.69 117.98 110.74 2f99 s PHE 101 Ca 0.76 0.05 -0.10 0.00 -0.05 0.00 0.00 56.93 57.58 2f99 s PHE 101 Cb -0.29 0.39 0.04 0.00 -0.63 0.00 0.00 43.02 42.53 2f99 s PHE 101 CO 0.34 -0.78 0.33 0.45 -0.05 0.00 0.00 175.22 175.51 2f99 s SER 102 N -2.79 -0.37 -0.15 1.98 0.15 -1.26 -1.38 113.70 109.88 2f99 s SER 102 Ca 0.03 0.69 -0.10 0.00 0.70 0.00 0.00 55.95 57.27 2f99 s SER 102 Cb 0.00 0.66 0.05 0.00 -1.71 0.00 0.00 66.02 65.02 2f99 s SER 102 CO -0.11 -0.14 0.38 -0.83 1.20 0.00 0.00 173.24 173.74 2f99 s GLY 103 N 0.54 -0.29 0.76 9.45 0.00 0.06 -4.79 107.32 113.04 2f99 s GLY 103 Ca -0.03 1.32 -0.15 0.00 0.00 0.00 0.00 44.72 45.86 2f99 s GLY 103 CO -0.03 1.38 1.22 -0.54 0.00 0.00 0.00 173.10 175.12 2f99 s GLU 104 N 0.98 1.95 0.02 2.90 2.02 -1.26 -0.81 118.70 124.50 2f99 s GLU 104 Ca -0.06 1.80 -0.02 0.00 0.02 0.00 0.00 54.97 56.70 2f99 s GLU 104 Cb -0.07 -1.81 -0.02 0.00 0.10 0.00 0.00 34.13 32.34 2f99 s GLU 104 CO -0.08 -1.99 0.02 -0.65 0.02 0.00 0.00 175.26 172.58 2f99 s GLN 105 N -3.96 0.39 -0.09 1.61 -0.21 0.67 -2.22 119.66 115.85 2f99 s GLN 105 Ca 0.75 -0.63 0.03 0.00 0.02 0.00 0.00 55.36 55.54 2f99 s GLN 105 Cb -0.30 0.15 0.00 0.00 1.00 0.00 0.00 33.01 33.86 2f99 s GLN 105 CO 0.47 -0.08 -0.21 0.42 -2.12 0.00 0.00 175.29 173.78 2f99 s ILE 106 N -1.73 1.80 -0.05 1.08 -1.09 -0.96 -1.43 121.20 118.83 2f99 s ILE 106 Ca -0.13 -0.87 0.06 0.00 -2.23 0.00 0.00 60.65 57.48 2f99 s ILE 106 Cb -0.07 -1.58 -0.02 0.00 -1.58 0.00 0.00 42.46 39.21 2f99 s ILE 106 CO -0.01 0.50 -0.23 -1.00 -1.23 0.00 0.00 174.94 172.97 2f99 s HIS 107 N 0.47 2.47 -0.16 3.97 3.76 0.05 -0.59 115.29 125.27 2f99 s HIS 107 Ca -0.17 -0.53 0.01 0.00 -0.15 0.00 0.00 55.06 54.23 2f99 s HIS 107 Cb -0.17 -1.59 0.01 0.00 1.11 0.00 0.00 32.58 31.94 2f99 s HIS 107 CO 0.07 -0.09 -0.20 -0.51 -0.85 0.00 0.00 174.74 173.16 2f99 s LEU 108 N -0.37 2.21 -0.05 0.89 1.02 0.53 -1.01 118.68 121.88 2f99 s LEU 108 Ca 0.03 -0.59 0.04 0.00 0.02 0.00 0.00 54.13 53.63 2f99 s LEU 108 Cb -0.12 -1.49 0.00 0.00 0.02 0.00 0.00 46.19 44.60 2f99 s LEU 108 CO 0.02 0.06 -0.17 -0.76 0.02 0.00 0.00 176.35 175.52 2f99 s LEU 109 N 0.97 1.88 -0.15 1.79 2.01 0.12 -0.89 118.68 124.39 2f99 s LEU 109 Ca -0.03 -0.36 -0.02 0.00 0.01 0.00 0.00 54.13 53.72 2f99 s LEU 109 Cb -0.15 -0.99 -0.02 0.00 0.01 0.00 0.00 46.19 45.05 2f99 s LEU 109 CO -0.05 0.13 -0.08 -2.28 1.01 0.00 0.00 176.35 175.09 2f99 s HIS 110 N 0.20 2.93 -0.01 0.29 5.65 -0.23 -0.32 115.29 123.80 2f99 s HIS 110 Ca -0.08 -0.51 -0.16 0.00 0.25 0.00 0.00 55.06 54.56 2f99 s HIS 110 Cb -0.13 -1.93 -0.06 0.00 -1.18 0.00 0.00 32.58 29.28 2f99 s HIS 110 CO 0.03 -0.17 0.43 -0.06 -0.65 0.00 0.00 174.74 174.32 2f99 s PHE 111 N 0.49 3.70 -0.02 3.88 0.40 0.36 -0.45 117.98 126.35 2f99 s PHE 111 Ca -0.06 1.00 0.02 0.00 -0.60 0.00 0.00 56.93 57.28 2f99 s PHE 111 Cb -0.15 -2.34 0.00 0.00 0.51 0.00 0.00 43.02 41.04 2f99 s PHE 111 CO 0.03 0.57 -0.05 0.08 0.70 0.00 0.00 175.22 176.55 2f99 s VAL 112 N -0.83 0.48 -1.47 -0.44 1.01 -0.61 -4.84 120.40 113.71 2f99 s VAL 112 Ca 0.24 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2f99 s VAL 112 Cb -0.17 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.77 2f99 s VAL 112 CO 0.13 0.16 0.00 0.47 0.00 0.00 0.00 175.10 175.86 2f99 n ASP 113 N 3.30 -4.97 -0.03 3.32 10.43 -1.26 -1.47 116.55 125.87 2f99 n ASP 113 Ca -0.17 0.10 -0.00 0.00 2.57 0.00 0.00 54.79 57.28 2f99 n ASP 113 Cb 0.55 -4.18 -0.00 0.00 1.84 0.00 0.00 41.12 39.33 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 -0.89 0.43 3.28 0.44 0.00 -1.26 -5.02 105.19 102.18 2f99 n GLY 114 Ca -0.20 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.58 1.15 -0.17 1.61 1.02 -0.54 -4.97 119.74 117.26 2f99 s LYS 115 Ca 0.00 -1.44 -0.29 0.00 0.02 0.00 0.00 55.97 54.25 2f99 s LYS 115 Cb 0.00 -0.89 -0.03 0.00 -0.52 0.00 0.00 37.83 36.39 2f99 s LYS 115 CO 0.00 0.14 1.50 0.42 -0.92 0.00 0.00 175.35 176.49 2f99 s ILE 116 N -2.86 3.87 -0.11 2.17 1.01 0.10 -1.57 121.20 123.81 2f99 s ILE 116 Ca 0.17 1.02 0.09 0.00 0.00 0.00 0.00 60.65 61.93 2f99 s ILE 116 Cb -0.01 -3.76 -0.13 0.00 0.01 0.00 0.00 42.46 38.57 2f99 s ILE 116 CO 0.04 -0.21 0.02 1.57 0.00 0.00 0.00 174.94 176.36 2f99 n HIS 117 N 7.50 0.00 -3.85 3.97 -0.00 0.41 -0.91 115.22 122.34 2f99 n HIS 117 Ca 0.17 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.22 2f99 n HIS 117 Cb 0.45 -0.55 -0.14 0.00 -0.12 0.00 0.00 29.99 29.63 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 -2.27 -0.06 -0.10 1.57 5.65 -1.03 -2.23 115.29 116.82 2f99 s HIS 118 Ca -0.07 0.14 -0.03 0.00 0.25 0.00 0.00 55.06 55.35 2f99 s HIS 118 Cb 0.04 0.01 0.04 0.00 -1.18 0.00 0.00 32.58 31.49 2f99 s HIS 118 CO 0.45 -0.03 0.07 -1.58 -0.65 0.00 0.00 174.74 173.00 2f99 s HIS 119 N 0.06 0.12 -0.08 3.88 2.46 -0.50 -1.07 115.29 120.16 2f99 s HIS 119 Ca -0.00 0.01 0.03 0.00 0.47 0.00 0.00 55.06 55.57 2f99 s HIS 119 Cb -0.01 -0.57 -0.02 0.00 -0.13 0.00 0.00 32.58 31.85 2f99 s HIS 119 CO -0.00 -0.33 -0.16 0.50 -2.47 0.00 0.00 174.74 172.28 2f99 s ARG 120 N 2.16 2.83 -0.05 2.88 3.52 -0.07 -4.03 118.95 126.18 2f99 s ARG 120 Ca 0.04 -0.73 0.00 0.00 -0.13 0.00 0.00 55.73 54.91 2f99 s ARG 120 Cb -0.14 -2.43 0.02 0.00 -1.56 0.00 0.00 34.95 30.85 2f99 s ARG 120 CO -0.06 0.43 -0.03 0.34 -0.81 0.00 0.00 175.30 175.17 2f99 s ASP 121 N -0.24 1.13 -0.48 -2.12 3.68 -1.26 -0.35 116.67 117.03 2f99 s ASP 121 Ca 0.01 -0.12 -0.03 0.00 2.13 0.00 0.00 52.55 54.54 2f99 s ASP 121 Cb -0.13 -0.46 0.13 0.00 -1.45 0.00 0.00 42.92 41.01 2f99 s ASP 121 CO 0.03 -0.09 0.28 0.26 0.13 0.00 0.00 175.17 175.78 2f99 s TRP 122 N 1.20 3.52 0.92 -5.34 0.51 0.24 -4.95 118.94 115.04 2f99 s TRP 122 Ca -0.07 -2.54 -0.11 0.00 -2.12 0.00 0.00 56.10 51.27 2f99 s TRP 122 Cb -0.14 -3.21 0.15 0.00 -0.81 0.00 0.00 33.47 29.46 2f99 s TRP 122 CO -0.02 -0.92 1.11 -2.14 -0.51 0.00 0.00 176.95 174.47 2f99 s PRO 123 N 0.72 1.00 -1.27 4.98 0.02 -1.26 -2.26 135.00 136.92 2f99 s PRO 123 Ca 0.11 1.27 -0.16 0.00 0.02 0.00 0.00 61.00 62.24 2f99 s PRO 123 Cb -0.22 -1.75 0.11 0.00 0.02 0.00 0.00 34.50 32.67 2f99 s PRO 123 CO -0.04 -2.55 1.63 -3.47 -0.33 0.00 0.00 177.00 172.24 2f99 n ASP 124 N -4.15 5.04 0.04 2.53 -0.08 -0.94 -4.84 116.55 114.14 2f99 n ASP 124 Ca 0.09 -2.94 -0.11 0.00 -1.51 0.00 0.00 54.79 50.32 2f99 n ASP 124 Cb 0.53 -1.67 -0.05 0.00 2.34 0.00 0.00 41.12 42.27 2f99 n ASP 124 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 2f99 h TYR 125 N 7.34 -0.22 -0.57 -0.67 -1.99 -1.91 -1.30 116.97 117.65 2f99 h TYR 125 Ca 0.40 0.01 -0.05 0.00 2.00 0.00 0.00 58.73 61.08 2f99 h TYR 125 Cb 0.86 0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.67 2f99 h TYR 125 CO 1.30 -0.14 0.14 1.96 -0.00 0.00 0.00 178.16 181.42 2f99 h GLN 126 N -0.14 0.91 -0.60 4.88 4.20 -1.99 0.87 115.11 123.24 2f99 h GLN 126 Ca 0.04 -0.22 -0.10 0.00 0.06 0.00 0.00 58.65 58.44 2f99 h GLN 126 Cb 0.20 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2f99 h GLN 126 CO -0.11 0.85 -0.00 0.78 -0.67 0.00 0.00 178.83 179.67 2f99 h GLY 127 N 0.82 1.14 0.80 3.46 0.00 -1.95 -0.87 103.07 106.47 2f99 h GLY 127 Ca 0.18 -0.83 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 2f99 h GLY 127 CO 0.00 0.77 0.02 -0.84 0.00 0.00 0.00 176.54 176.49 2f99 h THR 128 N 0.96 1.21 -0.65 4.70 2.02 -1.06 -2.00 112.91 118.08 2f99 h THR 128 Ca 0.17 -0.65 0.12 0.00 0.77 0.00 0.00 66.41 66.82 2f99 h THR 128 Cb 0.56 1.43 -0.08 0.00 -1.74 0.00 0.00 68.15 68.31 2f99 h THR 128 CO 0.03 0.19 0.21 0.22 0.37 0.00 0.00 175.52 176.54 2f99 h TYR 129 N -0.04 0.36 -0.08 3.16 3.20 -0.66 -0.30 116.97 122.61 2f99 h TYR 129 Ca 0.03 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.96 2f99 h TYR 129 Cb 0.27 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2f99 h TYR 129 CO 0.01 0.04 -0.04 0.00 -1.64 0.00 0.00 178.16 176.53 2f99 h ARG 130 N 0.36 -0.04 0.00 1.82 3.08 -1.06 0.21 114.38 118.75 2f99 h ARG 130 Ca 0.34 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.37 2f99 h ARG 130 Cb 0.49 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 2f99 h ARG 130 CO -0.37 -0.03 -0.10 1.96 -1.07 0.00 0.00 179.97 180.36 2f99 h GLN 131 N -0.04 0.00 -0.07 0.04 4.20 -0.57 0.49 115.11 119.16 2f99 h GLN 131 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2f99 h GLN 131 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2f99 h GLN 131 CO -0.11 0.10 0.00 1.28 -0.67 0.00 0.00 178.83 179.43 2f99 n LEU 132 N -3.64 0.54 -0.06 1.46 4.77 -0.20 -4.79 117.00 115.07 2f99 n LEU 132 Ca -0.02 -0.24 -0.01 0.00 -0.03 0.00 0.00 56.01 55.71 2f99 n LEU 132 Cb 0.22 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2f99 n LEU 132 CO 0.29 0.12 -0.01 0.61 -1.33 0.00 0.00 177.39 177.08 2f99 n GLY 133 N 0.81 0.45 3.64 -0.72 0.00 0.16 -4.13 105.19 105.40 2f99 n GLY 133 Ca 0.11 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.96 -1.22 -2.10 1.61 1.02 0.04 -4.90 120.64 112.12 2f99 n GLU 134 Ca -0.01 0.65 -0.39 0.00 -0.02 0.00 0.00 57.16 57.39 2f99 n GLU 134 Cb 0.03 -3.89 -0.01 0.00 -0.02 0.00 0.00 31.44 27.56 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 -5.42 3.92 0.06 3.49 0.04 -1.26 -5.01 135.00 130.82 2f99 s PRO 135 Ca 0.31 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 63.12 2f99 s PRO 135 Cb -0.12 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.69 2f99 s PRO 135 CO 0.86 -0.50 0.96 -1.58 0.04 0.00 0.00 177.00 176.78 2f99 s TRP 136 N -1.32 3.74 0.45 0.56 0.52 -1.26 -5.03 118.94 116.60 2f99 s TRP 136 Ca 0.58 1.74 -0.25 0.00 0.02 0.00 0.00 56.10 58.19 2f99 s TRP 136 Cb -0.36 -3.08 -0.08 0.00 -1.15 0.00 0.00 33.47 28.81 2f99 s TRP 136 CO 0.46 0.11 1.40 -2.14 0.02 0.00 0.00 176.95 176.79 2f99 s PRO 137 N 0.46 3.69 0.14 4.98 0.02 -1.26 -4.77 135.00 138.26 2f99 s PRO 137 Ca 0.49 2.36 0.22 0.00 0.02 0.00 0.00 61.00 64.08 2f99 s PRO 137 Cb -0.22 -2.64 -0.09 0.00 0.02 0.00 0.00 34.50 31.57 2f99 s PRO 137 CO 0.29 -0.79 0.89 -0.85 -0.33 0.00 0.00 177.00 176.21 2f99 n GLU 138 N -0.20 0.62 -3.65 5.54 0.28 0.64 -4.96 120.64 118.90 2f99 n GLU 138 Ca 0.05 0.05 -0.11 0.00 -0.16 0.00 0.00 57.16 57.00 2f99 n GLU 138 Cb 0.42 -1.75 -0.05 0.00 1.43 0.00 0.00 31.44 31.49 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 -3.37 0.07 -2.14 3.84 -1.32 -1.14 -5.03 115.64 106.55 2f99 s THR 139 Ca -0.02 -0.58 0.17 0.00 -1.21 0.00 0.00 61.69 60.04 2f99 s THR 139 Cb 0.10 -1.12 0.41 0.00 -1.51 0.00 0.00 72.50 70.39 2f99 s THR 139 CO 0.82 -0.32 1.40 -1.84 -2.21 0.00 0.00 174.62 172.47 2f99 n GLU 140 N -0.03 1.97 0.00 7.08 0.28 -1.26 -4.41 120.64 124.27 2f99 n GLU 140 Ca -0.17 -1.49 0.09 0.00 -0.16 0.00 0.00 57.16 55.43 2f99 n GLU 140 Cb 0.63 -1.37 0.07 0.00 1.43 0.00 0.00 31.44 32.19 2f99 n GLU 140 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69