#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d93 s SER 2 N 0.00 1.97 -0.44 1.61 0.15 -1.26 -5.10 113.70 110.64 2d93 s SER 2 Ca 0.00 -0.33 0.02 0.00 0.70 0.00 0.00 55.95 56.34 2d93 s SER 2 Cb 0.00 -0.73 0.13 0.00 -1.71 0.00 0.00 66.02 63.71 2d93 s SER 2 CO 0.00 0.09 0.23 -0.55 1.20 0.00 0.00 173.24 174.21 2d93 s SER 3 N 0.34 3.74 0.03 5.45 0.15 -1.26 -5.10 113.70 117.06 2d93 s SER 3 Ca -0.09 -2.59 -0.05 0.00 0.70 0.00 0.00 55.95 53.92 2d93 s SER 3 Cb -0.14 -1.08 -0.01 0.00 -1.71 0.00 0.00 66.02 63.08 2d93 s SER 3 CO 0.03 -0.28 0.07 -0.83 1.20 0.00 0.00 173.24 173.44 2d93 s GLY 4 N 0.39 0.20 0.18 9.45 0.00 -1.26 -5.05 107.32 111.23 2d93 s GLY 4 Ca 0.17 -0.59 -0.14 0.00 0.00 0.00 0.00 44.72 44.16 2d93 s GLY 4 CO -0.01 -0.71 1.69 1.76 0.00 0.00 0.00 173.10 175.83 2d93 h SER 5 N 3.77 -0.16 -6.72 1.64 0.02 -2.09 -3.45 113.55 106.57 2d93 h SER 5 Ca -0.32 0.10 -0.54 0.00 -0.84 0.00 0.00 61.79 60.19 2d93 h SER 5 Cb 1.18 0.18 -0.25 0.00 0.14 0.00 0.00 62.40 63.65 2d93 h SER 5 CO 0.50 -0.04 -0.81 -1.54 -1.14 0.00 0.00 176.83 173.80 2d93 n SER 6 N -5.20 -0.27 -4.22 3.07 3.41 -1.26 -4.87 113.62 104.27 2d93 n SER 6 Ca 0.04 -1.09 -0.36 0.00 -0.26 0.00 0.00 58.87 57.20 2d93 n SER 6 Cb 0.24 -1.37 -0.13 0.00 -0.26 0.00 0.00 64.21 62.69 2d93 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2d93 s GLY 7 N -3.62 1.78 0.28 5.00 0.00 -1.26 -4.96 107.32 104.55 2d93 s GLY 7 Ca 0.33 -1.72 0.03 0.00 0.00 0.00 0.00 44.72 43.36 2d93 s GLY 7 CO 0.87 0.71 1.73 -1.80 0.00 0.00 0.00 173.10 174.61 2d93 h ASP 8 N 8.10 0.47 -0.94 1.64 3.58 -2.04 -2.93 116.42 124.31 2d93 h ASP 8 Ca -0.23 -0.16 -0.63 0.00 0.42 0.00 0.00 57.03 56.43 2d93 h ASP 8 Cb 1.08 -0.13 -0.31 0.00 1.72 0.00 0.00 39.33 41.69 2d93 h ASP 8 CO 0.57 0.72 0.54 -0.90 -2.88 0.00 0.00 179.24 177.28 2d93 n ASP 9 N -4.13 6.79 0.18 2.28 5.68 -1.26 -4.62 116.55 121.48 2d93 n ASP 9 Ca -0.00 -3.77 0.03 0.00 -0.50 0.00 0.00 54.79 50.55 2d93 n ASP 9 Cb 0.40 -0.85 0.42 0.00 -1.14 0.00 0.00 41.12 39.95 2d93 n ASP 9 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2d93 h ASP 10 N 1.93 0.06 0.60 -1.12 2.03 -1.94 -2.94 116.42 115.05 2d93 h ASP 10 Ca 0.56 -0.01 -0.03 0.00 -0.73 0.00 0.00 57.03 56.81 2d93 h ASP 10 Cb 1.11 -0.02 0.01 0.00 -0.83 0.00 0.00 39.33 39.60 2d93 h ASP 10 CO 1.38 0.31 -0.29 0.40 -1.03 0.00 0.00 179.24 180.01 2d93 h ILE 11 N 0.06 0.04 -0.61 4.15 2.04 -1.87 -1.34 117.51 119.98 2d93 h ILE 11 Ca 0.01 -0.41 0.10 0.00 1.00 0.00 0.00 64.86 65.57 2d93 h ILE 11 Cb 0.47 0.06 -0.11 0.00 -0.74 0.00 0.00 36.82 36.49 2d93 h ILE 11 CO 0.03 0.01 -0.36 -0.33 0.00 0.00 0.00 178.15 177.50 2d93 h GLU 12 N -1.20 -0.16 -0.16 2.37 4.39 -1.92 0.13 114.58 118.03 2d93 h GLU 12 Ca -0.08 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.65 2d93 h GLU 12 Cb 0.63 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 2d93 h GLU 12 CO 0.14 -0.11 0.02 -0.56 -1.16 0.00 0.00 179.01 177.34 2d93 h GLN 13 N -0.17 0.08 0.12 2.33 3.07 -1.59 -2.30 115.11 116.65 2d93 h GLN 13 Ca 0.23 -0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.98 2d93 h GLN 13 Cb 0.56 -0.02 -0.05 0.00 0.08 0.00 0.00 27.48 28.05 2d93 h GLN 13 CO -0.70 0.05 -0.42 -0.07 0.09 0.00 0.00 178.83 177.78 2d93 h LEU 14 N 0.08 -1.25 -0.01 0.06 3.38 0.08 -1.60 115.31 116.06 2d93 h LEU 14 Ca 0.07 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2d93 h LEU 14 Cb 0.07 0.47 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2d93 h LEU 14 CO -0.11 -0.49 -0.03 -0.07 0.09 0.00 0.00 178.44 177.83 2d93 h LEU 15 N -0.65 -0.10 -1.52 1.67 3.38 -0.67 0.33 115.31 117.74 2d93 h LEU 15 Ca 0.02 0.01 0.49 0.00 0.09 0.00 0.00 57.88 58.49 2d93 h LEU 15 Cb 0.68 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.34 2d93 h LEU 15 CO -0.25 -0.03 0.99 1.05 0.09 0.00 0.00 178.44 180.30 2d93 h GLU 16 N -0.03 0.02 -0.02 1.13 4.11 -1.36 0.70 114.58 119.12 2d93 h GLU 16 Ca 0.00 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 2d93 h GLU 16 Cb 0.04 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2d93 h GLU 16 CO -0.02 0.01 -0.14 0.35 0.07 0.00 0.00 179.01 179.27 2d93 h PHE 17 N 0.02 0.19 -0.93 2.06 3.57 -0.00 -3.20 116.94 118.65 2d93 h PHE 17 Ca 0.88 -0.09 0.25 0.00 3.53 0.00 0.00 57.97 62.55 2d93 h PHE 17 Cb 2.99 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 41.65 2d93 h PHE 17 CO -0.00 0.80 0.65 0.52 -2.23 0.00 0.00 178.31 178.05 2d93 h MET 18 N -0.48 0.14 -0.17 1.11 2.86 0.42 0.45 114.93 119.26 2d93 h MET 18 Ca -0.01 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 2d93 h MET 18 Cb 0.83 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 2d93 h MET 18 CO 0.03 0.09 -0.15 1.25 1.06 0.00 0.00 176.91 179.19 2d93 h HIS 19 N 0.14 0.29 -0.62 -0.22 -0.00 -1.37 -2.75 115.15 110.61 2d93 h HIS 19 Ca 0.46 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.75 2d93 h HIS 19 Cb 1.59 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 28.90 2d93 h HIS 19 CO -0.00 0.42 0.22 1.96 -0.00 0.00 0.00 177.93 180.53 2d93 h GLN 20 N 0.26 0.95 -6.86 5.26 4.20 -0.17 -3.40 115.11 115.35 2d93 h GLN 20 Ca 0.05 -0.19 -0.49 0.00 0.06 0.00 0.00 58.65 58.08 2d93 h GLN 20 Cb 0.42 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.07 2d93 h GLN 20 CO 0.03 0.82 0.44 -0.51 -0.67 0.00 0.00 178.83 178.94 2d93 s LEU 21 N -9.69 4.41 0.10 1.46 1.43 -1.04 -4.94 118.68 110.40 2d93 s LEU 21 Ca -0.13 2.15 -0.15 0.00 -1.03 0.00 0.00 54.13 54.98 2d93 s LEU 21 Cb 0.13 -3.83 -0.08 0.00 0.03 0.00 0.00 46.19 42.44 2d93 s LEU 21 CO 0.81 -0.24 1.42 1.55 0.23 0.00 0.00 176.35 180.12 2d93 h PRO 22 N 3.36 0.71 -0.79 1.29 0.13 -1.83 0.15 132.00 135.01 2d93 h PRO 22 Ca -0.47 -0.37 0.09 0.00 -0.87 0.00 0.00 66.00 64.37 2d93 h PRO 22 Cb 1.21 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 2d93 h PRO 22 CO 0.65 0.99 0.52 0.00 -0.23 0.00 0.00 178.00 179.93 2d93 h ALA 23 N 0.71 1.72 0.16 -0.56 0.00 -1.91 -2.41 119.26 116.97 2d93 h ALA 23 Ca 0.05 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.60 2d93 h ALA 23 Cb 0.86 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2d93 h ALA 23 CO 0.07 0.13 -1.77 0.74 0.00 0.00 0.00 179.25 178.42 2d93 h PHE 24 N 0.77 0.63 -1.07 0.00 0.04 -1.73 -3.34 116.94 112.24 2d93 h PHE 24 Ca 0.36 -0.46 0.29 0.00 2.80 0.00 0.00 57.97 60.96 2d93 h PHE 24 Cb 0.38 -0.03 -0.07 0.00 2.20 0.00 0.00 35.95 38.43 2d93 h PHE 24 CO -0.00 1.69 0.73 0.00 -0.60 0.00 0.00 178.31 180.14 2d93 h ALA 25 N 0.08 2.65 -0.80 2.45 0.00 -0.33 -0.41 119.26 122.90 2d93 h ALA 25 Ca -0.36 0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.75 2d93 h ALA 25 Cb 2.04 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 19.75 2d93 h ALA 25 CO 0.14 -1.01 0.08 -0.91 0.00 0.00 0.00 179.25 177.55 2d93 h ASN 26 N 0.19 -0.23 -2.97 0.00 4.21 -1.57 -3.40 115.58 111.82 2d93 h ASN 26 Ca 0.56 0.20 -0.47 0.00 1.21 0.00 0.00 56.30 57.79 2d93 h ASN 26 Cb 1.81 0.32 0.02 0.00 -1.12 0.00 0.00 38.32 39.35 2d93 h ASN 26 CO -0.15 -0.17 -0.09 0.00 -1.29 0.00 0.00 177.43 175.73 2d93 s MET 27 N -6.06 3.37 0.75 0.81 0.23 -0.16 -5.10 119.30 113.14 2d93 s MET 27 Ca -0.13 -0.26 -0.07 0.00 -1.03 0.00 0.00 55.69 54.21 2d93 s MET 27 Cb 0.23 -2.57 0.10 0.00 -1.53 0.00 0.00 34.83 31.07 2d93 s MET 27 CO 0.76 -0.05 1.06 -0.08 -2.03 0.00 0.00 175.02 174.67 2d93 s THR 28 N -2.48 2.21 0.22 3.16 -1.32 -1.26 -4.91 115.64 111.25 2d93 s THR 28 Ca 0.44 -0.32 -0.08 0.00 -1.21 0.00 0.00 61.69 60.52 2d93 s THR 28 Cb -0.10 -2.89 0.19 0.00 -1.51 0.00 0.00 72.50 68.19 2d93 s THR 28 CO 0.39 0.00 1.70 -0.03 -2.21 0.00 0.00 174.62 174.46 2d93 h MET 29 N -0.75 0.26 -0.26 7.08 4.05 -1.95 -2.68 114.93 120.68 2d93 h MET 29 Ca -0.42 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.01 2d93 h MET 29 Cb 1.29 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.99 2d93 h MET 29 CO 0.51 0.17 -0.18 0.77 0.23 0.00 0.00 176.91 178.41 2d93 h SER 30 N 0.27 -0.64 -0.61 1.39 0.02 -2.00 0.20 113.55 112.18 2d93 h SER 30 Ca 0.35 0.09 0.13 0.00 -0.84 0.00 0.00 61.79 61.52 2d93 h SER 30 Cb 0.55 0.28 -0.11 0.00 0.14 0.00 0.00 62.40 63.26 2d93 h SER 30 CO -0.44 -0.08 -0.04 0.58 -1.14 0.00 0.00 176.83 175.70 2d93 h VAL 31 N -0.03 0.46 -0.01 2.27 2.07 -1.86 -2.51 116.25 116.65 2d93 h VAL 31 Ca 0.04 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2d93 h VAL 31 Cb 0.14 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2d93 h VAL 31 CO -0.26 0.01 -0.05 0.03 0.02 0.00 0.00 177.57 177.33 2d93 h ARG 32 N 0.08 -0.05 -0.92 1.57 3.08 -0.73 -1.30 114.38 116.10 2d93 h ARG 32 Ca 0.31 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.52 2d93 h ARG 32 Cb 0.50 0.01 -0.16 0.00 0.08 0.00 0.00 29.97 30.40 2d93 h ARG 32 CO -0.55 -0.04 -0.31 0.54 -1.07 0.00 0.00 179.97 178.54 2d93 n ARG 33 N -2.79 -0.16 -0.33 0.04 1.74 -0.14 0.16 116.66 115.18 2d93 n ARG 33 Ca -0.01 1.42 0.09 0.00 -0.77 0.00 0.00 57.85 58.58 2d93 n ARG 33 Cb 0.03 -2.12 0.25 0.00 -1.02 0.00 0.00 32.46 29.61 2d93 n ARG 33 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2d93 h GLU 34 N 0.00 0.74 0.20 5.56 4.39 -1.00 -2.06 114.58 122.41 2d93 h GLU 34 Ca 0.37 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 2d93 h GLU 34 Cb 0.60 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2d93 h GLU 34 CO -0.93 0.49 -0.10 -0.07 -1.16 0.00 0.00 179.01 177.25 2d93 h LEU 35 N 0.76 -0.23 -1.78 1.33 3.38 0.27 -2.74 115.31 116.30 2d93 h LEU 35 Ca 0.50 -0.15 0.44 0.00 0.09 0.00 0.00 57.88 58.76 2d93 h LEU 35 Cb 0.67 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 2d93 h LEU 35 CO -0.34 0.02 1.03 0.00 0.09 0.00 0.00 178.44 179.24 2d93 h SER 37 N 0.06 0.70 -0.16 0.00 0.87 -1.27 -3.12 113.55 110.63 2d93 h SER 37 Ca 0.77 -0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 61.03 2d93 h SER 37 Cb 2.80 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 64.55 2d93 h SER 37 CO -0.15 0.95 -0.05 1.33 -0.53 0.00 0.00 176.83 178.38 2d93 n VAL 38 N -4.09 2.18 -3.04 2.23 0.24 0.42 -4.98 118.33 111.30 2d93 n VAL 38 Ca -0.01 -2.26 -0.42 0.00 -2.04 0.00 0.00 64.34 59.61 2d93 n VAL 38 Cb 0.45 -0.26 -0.06 0.00 -1.47 0.00 0.00 33.84 32.51 2d93 n VAL 38 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2d93 s MET 39 N -2.95 3.80 0.36 7.34 -1.94 0.34 -4.56 119.30 121.70 2d93 s MET 39 Ca 0.39 0.28 -0.19 0.00 -1.71 0.00 0.00 55.69 54.45 2d93 s MET 39 Cb 0.33 -3.78 -0.10 0.00 2.01 0.00 0.00 34.83 33.30 2d93 s MET 39 CO 0.04 -0.72 0.85 0.42 -0.01 0.00 0.00 175.02 175.60 2d93 s ILE 40 N 2.84 4.49 -0.17 2.53 1.09 -0.11 -4.93 121.20 126.94 2d93 s ILE 40 Ca 0.28 1.33 -0.08 0.00 -1.10 0.00 0.00 60.65 61.08 2d93 s ILE 40 Cb -0.14 -3.69 -0.04 0.00 -1.06 0.00 0.00 42.46 37.53 2d93 s ILE 40 CO 0.14 -0.15 0.10 -0.36 -0.10 0.00 0.00 174.94 174.57 2d93 s PHE 41 N -1.96 3.38 -0.16 3.97 0.08 -1.26 -2.65 117.98 119.38 2d93 s PHE 41 Ca 0.56 0.28 -0.08 0.00 0.12 0.00 0.00 56.93 57.80 2d93 s PHE 41 Cb -0.12 -2.05 0.06 0.00 -0.57 0.00 0.00 43.02 40.34 2d93 s PHE 41 CO 0.17 0.37 0.39 -1.21 -0.10 0.00 0.00 175.22 174.83 2d93 s GLU 42 N -0.07 0.36 -0.04 0.44 2.02 -0.92 -4.97 118.70 115.52 2d93 s GLU 42 Ca 0.08 0.77 -0.00 0.00 0.02 0.00 0.00 54.97 55.85 2d93 s GLU 42 Cb -0.12 -0.01 0.03 0.00 0.10 0.00 0.00 34.13 34.13 2d93 s GLU 42 CO 0.00 -0.17 0.00 0.08 0.02 0.00 0.00 175.26 175.20 2d93 s VAL 43 N 1.49 0.21 -0.23 2.63 1.01 -1.26 -0.48 120.40 123.76 2d93 s VAL 43 Ca -0.09 0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.84 2d93 s VAL 43 Cb -0.09 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 2d93 s VAL 43 CO -0.12 0.17 0.40 -0.69 0.00 0.00 0.00 175.10 174.86 2d93 s VAL 44 N 1.27 5.18 -0.11 2.92 1.01 0.80 -4.95 120.40 126.52 2d93 s VAL 44 Ca -0.06 0.68 -0.07 0.00 0.00 0.00 0.00 61.98 62.53 2d93 s VAL 44 Cb -0.13 -3.73 -0.27 0.00 0.00 0.00 0.00 36.38 32.25 2d93 s VAL 44 CO -0.02 0.20 0.42 -0.33 0.00 0.00 0.00 175.10 175.37 2d93 h GLU 45 N 7.72 0.28 -5.70 2.72 5.08 -1.95 -0.57 114.58 122.15 2d93 h GLU 45 Ca -0.34 -0.47 -0.60 0.00 -1.00 0.00 0.00 59.36 56.95 2d93 h GLU 45 Cb 1.16 0.18 -0.10 0.00 0.50 0.00 0.00 28.75 30.48 2d93 h GLU 45 CO 0.69 1.21 0.35 1.14 -1.00 0.00 0.00 179.01 181.40 2d93 s GLN 46 N -2.56 4.08 1.36 2.33 -2.07 -1.26 -3.57 119.66 117.96 2d93 s GLN 46 Ca -0.21 0.69 -0.20 0.00 -1.82 0.00 0.00 55.36 53.82 2d93 s GLN 46 Cb 0.06 -3.68 0.35 0.00 -1.09 0.00 0.00 33.01 28.65 2d93 s GLN 46 CO 0.78 -0.55 0.95 0.00 -1.32 0.00 0.00 175.29 175.16 2d93 s ALA 47 N 2.78 -0.72 -1.24 2.60 0.00 -1.26 -3.37 121.76 120.56 2d93 s ALA 47 Ca 0.31 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2d93 s ALA 47 Cb -0.15 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2d93 s ALA 47 CO 0.10 -4.44 0.00 0.41 0.00 0.00 0.00 175.76 171.83 2d93 n GLY 48 N 1.25 0.54 3.76 0.00 0.00 -1.24 -4.91 105.19 104.60 2d93 n GLY 48 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2d93 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d93 s ALA 49 N -2.28 3.36 -0.19 4.61 0.00 -1.22 -4.67 121.76 121.38 2d93 s ALA 49 Ca 0.00 0.54 -0.29 0.00 0.00 0.00 0.00 51.96 52.21 2d93 s ALA 49 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2d93 s ALA 49 CO 0.00 0.23 1.02 0.42 0.00 0.00 0.00 175.76 177.43 2d93 s ILE 50 N -1.20 4.72 -0.05 0.00 1.09 -1.26 -1.18 121.20 123.32 2d93 s ILE 50 Ca 0.40 2.02 -0.11 0.00 -1.10 0.00 0.00 60.65 61.85 2d93 s ILE 50 Cb -0.25 -4.30 -0.31 0.00 -1.06 0.00 0.00 42.46 36.54 2d93 s ILE 50 CO 0.30 -0.11 0.67 0.40 -0.10 0.00 0.00 174.94 176.09 2d93 h ILE 51 N 5.33 0.94 -3.91 2.92 1.08 -1.61 -3.48 117.51 118.78 2d93 h ILE 51 Ca -0.23 -2.51 -0.13 0.00 -0.39 0.00 0.00 64.86 61.61 2d93 h ILE 51 Cb 1.09 2.77 -0.10 0.00 -3.07 0.00 0.00 36.82 37.51 2d93 h ILE 51 CO 0.93 0.85 -0.23 -0.76 -0.69 0.00 0.00 178.15 178.25 2d93 s LEU 52 N -7.33 0.59 0.04 1.44 1.43 -1.25 -4.98 118.68 108.62 2d93 s LEU 52 Ca -0.16 -1.11 0.03 0.00 -1.03 0.00 0.00 54.13 51.87 2d93 s LEU 52 Cb 0.05 1.43 -0.02 0.00 0.03 0.00 0.00 46.19 47.69 2d93 s LEU 52 CO 0.85 -1.10 -0.10 -1.61 0.23 0.00 0.00 176.35 174.62 2d93 s GLU 53 N -3.90 0.69 0.09 1.70 2.02 -1.26 -2.49 118.70 115.53 2d93 s GLU 53 Ca 0.27 -0.69 -0.31 0.00 0.02 0.00 0.00 54.97 54.26 2d93 s GLU 53 Cb 0.01 -0.60 -0.08 0.00 0.10 0.00 0.00 34.13 33.56 2d93 s GLU 53 CO 0.11 0.14 1.58 0.34 0.02 0.00 0.00 175.26 177.45 2d93 s ASP 54 N -1.22 6.65 0.00 -0.19 2.15 0.40 -2.93 116.67 121.54 2d93 s ASP 54 Ca -0.03 2.45 0.00 0.00 0.43 0.00 0.00 52.55 55.40 2d93 s ASP 54 Cb -0.08 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 2d93 s ASP 54 CO 0.01 -0.83 0.00 0.61 -0.17 0.00 0.00 175.17 174.79 2d93 n GLY 55 N 3.85 1.42 3.14 2.66 0.00 -0.08 -4.88 105.19 111.29 2d93 n GLY 55 Ca 0.15 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 2d93 n GLY 55 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2d93 s GLN 56 N -1.93 2.92 -0.75 1.61 0.74 -1.15 -4.91 119.66 116.19 2d93 s GLN 56 Ca 0.00 -0.89 -0.25 0.00 0.05 0.00 0.00 55.36 54.27 2d93 s GLN 56 Cb 0.00 -2.68 -0.16 0.00 1.10 0.00 0.00 33.01 31.27 2d93 s GLN 56 CO 0.00 -0.27 2.45 -1.91 -0.55 0.00 0.00 175.29 175.01 2d93 n GLU 57 N 4.61 0.54 -1.88 1.67 2.13 -1.26 -2.78 120.64 123.67 2d93 n GLU 57 Ca -0.20 -0.20 -0.42 0.00 0.66 0.00 0.00 57.16 57.00 2d93 n GLU 57 Cb 0.49 -2.72 -0.03 0.00 0.27 0.00 0.00 31.44 29.45 2d93 n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2d93 s LEU 58 N 10.47 4.27 -0.11 4.31 1.43 -0.79 -4.86 118.68 133.40 2d93 s LEU 58 Ca 1.10 2.31 0.16 0.00 -1.03 0.00 0.00 54.13 56.67 2d93 s LEU 58 Cb -0.51 -3.53 0.36 0.00 0.03 0.00 0.00 46.19 42.54 2d93 s LEU 58 CO 0.31 -1.06 1.17 -0.90 0.23 0.00 0.00 176.35 176.11 2d93 n ASP 59 N 7.65 1.40 -3.62 2.29 5.68 -1.26 -4.54 116.55 124.15 2d93 n ASP 59 Ca 0.19 -2.99 -0.14 0.00 -0.50 0.00 0.00 54.79 51.34 2d93 n ASP 59 Cb 0.43 -0.41 -0.07 0.00 -1.14 0.00 0.00 41.12 39.93 2d93 n ASP 59 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2d93 s SER 60 N -2.57 -0.72 -0.22 -1.12 0.01 -1.26 -2.54 113.70 105.28 2d93 s SER 60 Ca 0.32 1.31 -0.18 0.00 1.31 0.00 0.00 55.95 58.71 2d93 s SER 60 Cb 0.33 1.31 -0.03 0.00 0.21 0.00 0.00 66.02 67.83 2d93 s SER 60 CO -0.08 -0.29 0.50 0.86 0.41 0.00 0.00 173.24 174.64 2d93 s TRP 61 N 0.15 3.34 -0.28 2.43 -0.00 -0.76 -3.81 118.94 120.01 2d93 s TRP 61 Ca -0.01 0.71 -0.08 0.00 -0.00 0.00 0.00 56.10 56.72 2d93 s TRP 61 Cb -0.04 -2.67 -0.01 0.00 -0.00 0.00 0.00 33.47 30.74 2d93 s TRP 61 CO 0.02 -0.15 0.10 0.71 -0.00 0.00 0.00 176.95 177.63 2d93 s TYR 62 N 1.80 3.13 -0.19 5.86 1.51 -0.21 -3.00 117.35 126.27 2d93 s TYR 62 Ca 0.23 -0.59 -0.02 0.00 -1.01 0.00 0.00 57.07 55.67 2d93 s TYR 62 Cb -0.15 -2.28 -0.01 0.00 -0.11 0.00 0.00 41.96 39.41 2d93 s TYR 62 CO 0.09 -0.44 -0.10 0.08 -1.11 0.00 0.00 175.55 174.08 2d93 s VAL 63 N 1.59 3.05 -0.16 0.71 1.01 -1.17 -0.72 120.40 124.71 2d93 s VAL 63 Ca 0.05 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 2d93 s VAL 63 Cb -0.16 -2.34 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 2d93 s VAL 63 CO 0.04 0.47 2.14 -0.63 0.00 0.00 0.00 175.10 177.13 2d93 s ILE 64 N 1.10 3.03 -0.15 2.22 1.01 -0.85 -3.21 121.20 124.34 2d93 s ILE 64 Ca 0.01 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.72 2d93 s ILE 64 Cb -0.15 -3.03 -0.23 0.00 0.01 0.00 0.00 42.46 39.07 2d93 s ILE 64 CO -0.02 -0.02 0.24 0.18 0.00 0.00 0.00 174.94 175.32 2d93 n LEU 65 N 10.60 1.88 -3.52 2.97 4.77 -1.03 -2.47 117.00 130.20 2d93 n LEU 65 Ca 0.27 0.14 -0.18 0.00 -0.03 0.00 0.00 56.01 56.21 2d93 n LEU 65 Cb 0.44 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 2d93 n LEU 65 CO 0.67 0.71 0.44 0.21 -1.33 0.00 0.00 177.39 178.08 2d93 s ASN 66 N -6.44 -0.66 0.00 -1.43 2.47 -1.20 -4.76 114.94 102.93 2d93 s ASN 66 Ca -0.19 0.73 0.00 0.00 0.42 0.00 0.00 52.86 53.81 2d93 s ASN 66 Cb 0.07 0.55 0.00 0.00 -1.45 0.00 0.00 41.25 40.43 2d93 s ASN 66 CO 0.75 -0.60 0.00 0.61 -3.72 0.00 0.00 177.10 174.14 2d93 n GLY 67 N 0.94 -1.78 2.96 1.21 0.00 -1.26 -2.87 105.19 104.39 2d93 n GLY 67 Ca -0.19 -1.67 -0.17 0.00 0.00 0.00 0.00 46.02 43.98 2d93 n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d93 s THR 68 N 0.00 0.50 -0.10 2.61 2.01 -1.26 -2.86 115.64 116.54 2d93 s THR 68 Ca 0.00 -0.23 0.04 0.00 0.31 0.00 0.00 61.69 61.81 2d93 s THR 68 Cb 0.00 -0.45 0.00 0.00 0.01 0.00 0.00 72.50 72.06 2d93 s THR 68 CO 0.00 0.16 -0.23 0.68 -0.69 0.00 0.00 174.62 174.54 2d93 s VAL 69 N 0.10 1.97 -0.19 3.82 -7.23 -1.12 0.20 120.40 117.95 2d93 s VAL 69 Ca -0.01 -0.97 -0.06 0.00 -1.81 0.00 0.00 61.98 59.14 2d93 s VAL 69 Cb -0.05 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 2d93 s VAL 69 CO -0.00 0.54 0.03 -0.70 -0.31 0.00 0.00 175.10 174.65 2d93 s GLU 70 N 0.37 3.75 -0.02 4.82 2.12 0.13 -2.36 118.70 127.51 2d93 s GLU 70 Ca -0.19 -0.46 -0.01 0.00 0.36 0.00 0.00 54.97 54.68 2d93 s GLU 70 Cb -0.18 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 2d93 s GLU 70 CO 0.08 0.10 0.08 0.42 -0.54 0.00 0.00 175.26 175.41 2d93 s ILE 71 N 0.79 4.79 -0.13 -3.70 1.01 -0.19 -1.09 121.20 122.67 2d93 s ILE 71 Ca 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 2d93 s ILE 71 Cb -0.14 -3.17 0.04 0.00 0.01 0.00 0.00 42.46 39.20 2d93 s ILE 71 CO 0.02 0.40 -0.04 -0.44 0.00 0.00 0.00 174.94 174.88 2d93 s SER 72 N -1.60 2.36 0.28 3.58 0.01 -0.31 -1.83 113.70 116.19 2d93 s SER 72 Ca 0.21 -0.44 -0.11 0.00 1.31 0.00 0.00 55.95 56.92 2d93 s SER 72 Cb -0.12 -0.74 -0.07 0.00 0.21 0.00 0.00 66.02 65.29 2d93 s SER 72 CO 0.12 -0.18 0.63 -1.00 0.41 0.00 0.00 173.24 173.22 2d93 s HIS 73 N 1.76 3.42 -0.03 2.43 3.76 0.63 -0.96 115.29 126.30 2d93 s HIS 73 Ca 0.03 0.97 0.31 0.00 -0.15 0.00 0.00 55.06 56.22 2d93 s HIS 73 Cb -0.14 -2.34 1.31 0.00 1.11 0.00 0.00 32.58 32.52 2d93 s HIS 73 CO -0.07 0.17 1.93 -1.00 -0.85 0.00 0.00 174.74 174.91 2d93 h PRO 74 N 2.22 0.00 -0.09 8.40 0.13 -1.87 -3.05 132.00 137.73 2d93 h PRO 74 Ca -0.47 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.50 2d93 h PRO 74 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 2d93 h PRO 74 CO 0.67 0.00 -0.55 0.22 -0.23 0.00 0.00 178.00 178.11 2d93 h ASP 75 N 0.00 0.64 0.00 1.44 3.58 -1.93 -3.47 116.42 116.68 2d93 h ASP 75 Ca 0.00 -0.66 0.00 0.00 0.42 0.00 0.00 57.03 56.79 2d93 h ASP 75 Cb 0.45 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2d93 h ASP 75 CO 0.00 1.20 0.00 0.61 -2.88 0.00 0.00 179.24 178.17 2d93 n GLY 76 N 0.76 0.11 3.34 -0.78 0.00 -1.15 -5.17 105.19 102.30 2d93 n GLY 76 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 2d93 n GLY 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2d93 s LYS 77 N 0.00 1.27 -0.20 1.61 2.47 -1.25 -4.99 119.74 118.65 2d93 s LYS 77 Ca 0.00 -1.33 -0.04 0.00 -1.56 0.00 0.00 55.97 53.04 2d93 s LYS 77 Cb 0.00 -1.49 0.06 0.00 -1.46 0.00 0.00 37.83 34.94 2d93 s LYS 77 CO 0.00 0.33 0.07 0.08 0.16 0.00 0.00 175.35 175.98 2d93 s VAL 78 N -1.58 0.27 0.02 4.02 1.01 -1.26 -0.27 120.40 122.62 2d93 s VAL 78 Ca 0.13 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 2d93 s VAL 78 Cb -0.08 -0.89 -0.06 0.00 0.00 0.00 0.00 36.38 35.36 2d93 s VAL 78 CO 0.06 -0.30 0.64 -1.61 0.00 0.00 0.00 175.10 173.90 2d93 s GLU 79 N 1.97 4.36 -0.35 2.72 2.02 -0.76 -4.91 118.70 123.76 2d93 s GLU 79 Ca 0.01 0.83 -0.04 0.00 0.02 0.00 0.00 54.97 55.80 2d93 s GLU 79 Cb -0.17 -3.34 0.06 0.00 0.10 0.00 0.00 34.13 30.79 2d93 s GLU 79 CO -0.11 0.38 0.10 0.54 0.02 0.00 0.00 175.26 176.18 2d93 s ASN 80 N -0.27 5.16 0.11 -0.19 4.22 -1.26 -1.03 114.94 121.69 2d93 s ASN 80 Ca 0.33 -1.44 0.03 0.00 -2.14 0.00 0.00 52.86 49.64 2d93 s ASN 80 Cb -0.19 -1.81 -0.04 0.00 1.28 0.00 0.00 41.25 40.49 2d93 s ASN 80 CO 0.19 -0.37 0.14 -0.76 -2.04 0.00 0.00 177.10 174.26 2d93 s LEU 81 N 1.28 3.95 0.32 3.54 1.43 -1.00 -5.05 118.68 123.16 2d93 s LEU 81 Ca -0.00 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 2d93 s LEU 81 Cb -0.21 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 2d93 s LEU 81 CO -0.00 0.13 0.11 -0.36 0.23 0.00 0.00 176.35 176.45 2d93 s PHE 82 N -1.56 1.73 -0.38 0.29 0.40 -1.26 -2.78 117.98 114.42 2d93 s PHE 82 Ca 0.31 -1.18 -0.43 0.00 -0.60 0.00 0.00 56.93 55.04 2d93 s PHE 82 Cb -0.11 -1.06 -0.17 0.00 0.51 0.00 0.00 43.02 42.18 2d93 s PHE 82 CO 0.24 -0.27 1.76 -0.12 0.70 0.00 0.00 175.22 177.53 2d93 n MET 83 N -0.66 0.66 0.00 0.44 0.00 -1.14 -1.38 117.12 115.04 2d93 n MET 83 Ca -0.02 0.23 0.00 0.00 -0.00 0.00 0.00 57.70 57.92 2d93 n MET 83 Cb 0.66 -1.87 0.00 0.00 0.00 0.00 0.00 33.22 32.01 2d93 n MET 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2d93 n GLY 84 N 4.57 3.30 3.57 -5.12 0.00 -1.03 -5.05 105.19 105.43 2d93 n GLY 84 Ca 0.31 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 2d93 n GLY 84 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2d93 s ASN 85 N 0.00 1.84 0.10 1.61 -0.87 -0.48 -4.06 114.94 113.08 2d93 s ASN 85 Ca 0.00 1.72 0.03 0.00 -1.57 0.00 0.00 52.86 53.04 2d93 s ASN 85 Cb 0.00 -2.37 -0.04 0.00 -0.02 0.00 0.00 41.25 38.82 2d93 s ASN 85 CO 0.00 -3.70 -0.08 -0.94 -2.57 0.00 0.00 177.10 169.81 2d93 s SER 86 N -2.67 1.32 -0.17 -1.22 1.04 -1.26 -2.01 113.70 108.72 2d93 s SER 86 Ca 0.67 -0.89 -0.29 0.00 0.48 0.00 0.00 55.95 55.92 2d93 s SER 86 Cb -0.23 0.04 0.11 0.00 0.10 0.00 0.00 66.02 66.04 2d93 s SER 86 CO 0.62 -0.35 0.92 0.72 0.98 0.00 0.00 173.24 176.13 2d93 s PHE 87 N -2.94 -0.48 0.00 5.02 -0.12 0.10 -4.97 117.98 114.59 2d93 s PHE 87 Ca 0.08 0.93 0.00 0.00 -0.05 0.00 0.00 56.93 57.89 2d93 s PHE 87 Cb 0.00 0.41 0.00 0.00 -0.63 0.00 0.00 43.02 42.81 2d93 s PHE 87 CO -0.02 -0.38 0.00 0.41 -0.05 0.00 0.00 175.22 175.18 2d93 n GLY 88 N 1.19 0.40 3.41 1.99 0.00 -1.26 -1.04 105.19 109.89 2d93 n GLY 88 Ca -0.13 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 2d93 n GLY 88 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2d93 s ILE 89 N 0.00 0.89 0.28 -0.61 -4.36 -1.25 -4.96 121.20 111.19 2d93 s ILE 89 Ca 0.00 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.45 2d93 s ILE 89 Cb 0.00 -2.69 -0.03 0.00 1.25 0.00 0.00 42.46 41.00 2d93 s ILE 89 CO 0.00 0.00 0.34 0.42 0.24 0.00 0.00 174.94 175.94 2d93 s THR 90 N -3.45 4.53 -2.00 8.37 -4.23 -1.26 -4.80 115.64 112.80 2d93 s THR 90 Ca 0.36 -1.15 0.09 0.00 -1.18 0.00 0.00 61.69 59.81 2d93 s THR 90 Cb 0.08 -3.54 0.25 0.00 1.34 0.00 0.00 72.50 70.63 2d93 s THR 90 CO 0.15 -0.27 0.98 -0.81 -0.54 0.00 0.00 174.62 174.12 2d93 n PRO 91 N -1.41 0.49 -3.63 3.99 -0.04 -1.26 -4.68 135.00 128.46 2d93 n PRO 91 Ca -0.06 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.05 2d93 n PRO 91 Cb 0.58 -1.29 -0.08 0.00 -0.04 0.00 0.00 33.50 32.67 2d93 n PRO 91 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2d93 s THR 92 N -2.00 5.35 0.56 0.52 -4.23 -1.26 -3.95 115.64 110.62 2d93 s THR 92 Ca 0.13 0.35 0.45 0.00 -1.18 0.00 0.00 61.69 61.44 2d93 s THR 92 Cb 0.06 -3.55 0.67 0.00 1.34 0.00 0.00 72.50 71.03 2d93 s THR 92 CO 0.10 0.40 1.65 -0.07 -0.54 0.00 0.00 174.62 176.16 2d93 h LEU 93 N 6.84 0.00 -8.76 4.79 3.38 -1.92 -3.42 115.31 116.23 2d93 h LEU 93 Ca -0.40 0.00 -0.77 0.00 0.09 0.00 0.00 57.88 56.80 2d93 h LEU 93 Cb 1.16 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.96 2d93 h LEU 93 CO 0.74 0.00 0.05 0.47 0.09 0.00 0.00 178.44 179.79 2d93 n ASP 94 N -4.00 -0.04 -4.78 -0.43 8.00 -1.26 -4.87 116.55 109.17 2d93 n ASP 94 Ca 0.37 1.13 -0.37 0.00 0.71 0.00 0.00 54.79 56.64 2d93 n ASP 94 Cb 1.74 -0.90 -0.03 0.00 -0.02 0.00 0.00 41.12 41.91 2d93 n ASP 94 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2d93 s LYS 95 N -0.02 4.05 -0.04 -1.24 3.01 -1.26 -4.87 119.74 119.36 2d93 s LYS 95 Ca 0.88 1.58 -0.01 0.00 -1.01 0.00 0.00 55.97 57.41 2d93 s LYS 95 Cb -1.23 -2.50 0.03 0.00 -1.01 0.00 0.00 37.83 33.13 2d93 s LYS 95 CO 0.55 -0.26 0.08 -0.65 0.51 0.00 0.00 175.35 175.59 2d93 s GLN 96 N -2.57 0.03 -0.13 1.68 -0.21 -1.26 -5.11 119.66 112.08 2d93 s GLN 96 Ca 0.59 0.26 -0.03 0.00 0.02 0.00 0.00 55.36 56.20 2d93 s GLN 96 Cb -0.24 -0.19 -0.03 0.00 1.00 0.00 0.00 33.01 33.55 2d93 s GLN 96 CO 0.29 -0.15 -0.02 0.71 -2.12 0.00 0.00 175.29 174.00 2d93 s TYR 97 N 1.03 3.08 0.43 0.91 2.02 -1.26 -1.88 117.35 121.67 2d93 s TYR 97 Ca -0.08 -0.11 -0.25 0.00 -0.37 0.00 0.00 57.07 56.26 2d93 s TYR 97 Cb -0.11 -1.91 -0.10 0.00 -0.40 0.00 0.00 41.96 39.44 2d93 s TYR 97 CO -0.04 0.14 1.22 -0.12 -1.57 0.00 0.00 175.55 175.17 2d93 n MET 98 N 3.09 1.77 -2.22 -0.62 1.56 -1.12 -4.83 117.12 114.76 2d93 n MET 98 Ca -0.18 0.63 -0.19 0.00 -0.27 0.00 0.00 57.70 57.70 2d93 n MET 98 Cb 0.53 -2.32 0.03 0.00 2.15 0.00 0.00 33.22 33.61 2d93 n MET 98 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 2d93 n HIS 99 N -0.34 2.43 0.00 1.12 8.25 -1.26 -0.90 115.22 124.52 2d93 n HIS 99 Ca 0.08 -2.24 0.00 0.00 -0.26 0.00 0.00 57.72 55.29 2d93 n HIS 99 Cb 0.40 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.20 2d93 n HIS 99 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2d93 n GLY 100 N -0.67 -0.94 3.22 -1.41 0.00 -1.26 -4.40 105.19 99.72 2d93 n GLY 100 Ca 0.35 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 2d93 n GLY 100 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d93 s ILE 101 N -2.00 2.66 0.05 -0.61 1.01 -0.14 -0.45 121.20 121.72 2d93 s ILE 101 Ca 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.77 2d93 s ILE 101 Cb 0.00 -2.16 -0.06 0.00 0.01 0.00 0.00 42.46 40.25 2d93 s ILE 101 CO 0.00 0.49 0.44 -0.69 0.00 0.00 0.00 174.94 175.18 2d93 s VAL 102 N 1.28 5.00 -0.17 2.92 1.01 -1.04 -1.16 120.40 128.25 2d93 s VAL 102 Ca 0.04 0.76 -0.10 0.00 0.00 0.00 0.00 61.98 62.68 2d93 s VAL 102 Cb -0.14 -3.71 0.06 0.00 0.00 0.00 0.00 36.38 32.59 2d93 s VAL 102 CO -0.07 0.45 0.41 -0.13 0.00 0.00 0.00 175.10 175.76 2d93 s ARG 103 N -1.43 0.39 1.14 2.72 0.52 -0.25 -1.40 118.95 120.65 2d93 s ARG 103 Ca 0.29 0.76 -0.12 0.00 -0.52 0.00 0.00 55.73 56.14 2d93 s ARG 103 Cb -0.16 -0.01 0.27 0.00 0.52 0.00 0.00 34.95 35.58 2d93 s ARG 103 CO 0.16 -0.15 1.04 0.95 0.02 0.00 0.00 175.30 177.32 2d93 s THR 104 N 1.30 2.00 -0.04 0.02 -4.23 -0.32 0.20 115.64 114.56 2d93 s THR 104 Ca -0.09 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.47 2d93 s THR 104 Cb -0.08 -2.01 -0.07 0.00 1.34 0.00 0.00 72.50 71.68 2d93 s THR 104 CO -0.12 -0.00 0.05 0.29 -0.54 0.00 0.00 174.62 174.30 2d93 n LYS 105 N -4.89 2.38 -3.75 3.99 4.76 0.13 -3.63 118.16 117.14 2d93 n LYS 105 Ca 0.04 -0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.30 2d93 n LYS 105 Cb 0.54 -1.14 -0.06 0.00 -1.84 0.00 0.00 35.03 32.53 2d93 n LYS 105 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2d93 n VAL 106 N -2.07 0.00 -2.84 -0.18 0.24 -1.25 -4.69 118.33 107.54 2d93 n VAL 106 Ca -0.07 -1.81 -0.19 0.00 -2.04 0.00 0.00 64.34 60.23 2d93 n VAL 106 Cb 0.54 0.77 0.02 0.00 -1.47 0.00 0.00 33.84 33.70 2d93 n VAL 106 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2d93 s ASP 107 N -2.83 5.47 -1.29 -1.34 -4.77 -1.26 -4.21 116.67 106.44 2d93 s ASP 107 Ca 0.22 -0.23 -0.02 0.00 -3.30 0.00 0.00 52.55 49.22 2d93 s ASP 107 Cb 0.01 -0.75 0.01 0.00 -1.09 0.00 0.00 42.92 41.10 2d93 s ASP 107 CO 0.16 -0.95 0.85 -0.67 0.70 0.00 0.00 175.17 175.26 2d93 n ASP 108 N -2.08 -2.03 -4.78 2.11 2.03 -0.96 -4.97 116.55 105.88 2d93 n ASP 108 Ca 0.08 -0.74 -0.37 0.00 0.52 0.00 0.00 54.79 54.28 2d93 n ASP 108 Cb 0.59 -4.44 -0.06 0.00 -0.72 0.00 0.00 41.12 36.49 2d93 n ASP 108 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2d93 s GLN 110 N -0.20 3.33 -0.19 0.00 -0.21 -1.14 -0.14 119.66 121.12 2d93 s GLN 110 Ca 0.20 -0.37 -0.17 0.00 0.02 0.00 0.00 55.36 55.04 2d93 s GLN 110 Cb -0.14 -3.03 0.05 0.00 1.00 0.00 0.00 33.01 30.88 2d93 s GLN 110 CO 0.08 0.67 0.50 -0.06 -2.12 0.00 0.00 175.29 174.36 2d93 s PHE 111 N -1.29 -0.56 0.11 0.91 0.08 0.36 -2.47 117.98 115.12 2d93 s PHE 111 Ca 0.26 1.35 0.05 0.00 0.12 0.00 0.00 56.93 58.71 2d93 s PHE 111 Cb -0.12 0.19 -0.04 0.00 -0.57 0.00 0.00 43.02 42.48 2d93 s PHE 111 CO 0.17 -0.27 0.03 0.54 -0.10 0.00 0.00 175.22 175.59 2d93 s VAL 112 N 0.30 4.14 0.06 -0.44 0.11 -1.20 -2.16 120.40 121.21 2d93 s VAL 112 Ca -0.00 -1.01 0.06 0.00 -2.93 0.00 0.00 61.98 58.10 2d93 s VAL 112 Cb -0.04 -3.01 -0.03 0.00 -1.53 0.00 0.00 36.38 31.78 2d93 s VAL 112 CO 0.00 0.07 -0.17 0.00 -3.33 0.00 0.00 175.10 171.67 2d93 s ILE 114 N -0.95 -0.42 0.29 0.00 1.01 -1.16 -0.93 121.20 119.04 2d93 s ILE 114 Ca 0.04 0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 2d93 s ILE 114 Cb -0.09 -0.49 -0.14 0.00 0.01 0.00 0.00 42.46 41.75 2d93 s ILE 114 CO 0.02 0.06 1.15 0.00 0.00 0.00 0.00 174.94 176.17 2d93 n ALA 115 N 5.35 0.34 -0.04 9.38 0.00 -1.26 -1.83 120.51 132.45 2d93 n ALA 115 Ca -0.06 0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.66 2d93 n ALA 115 Cb 0.50 -2.12 -0.05 0.00 0.00 0.00 0.00 19.45 17.78 2d93 n ALA 115 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2d93 h GLN 116 N 2.47 -0.40 -0.25 0.00 4.15 -1.87 0.48 115.11 119.69 2d93 h GLN 116 Ca -0.42 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.05 2d93 h GLN 116 Cb 1.32 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 29.06 2d93 h GLN 116 CO 0.63 -0.27 -0.21 1.96 -1.93 0.00 0.00 178.83 179.02 2d93 h GLN 117 N -0.42 -0.08 -0.75 1.69 7.50 -1.90 0.46 115.11 121.62 2d93 h GLN 117 Ca 0.10 0.01 0.15 0.00 0.50 0.00 0.00 58.65 59.40 2d93 h GLN 117 Cb 0.60 0.02 -0.10 0.00 0.05 0.00 0.00 27.48 28.05 2d93 h GLN 117 CO -0.44 -0.05 0.28 -0.44 -1.50 0.00 0.00 178.83 176.68 2d93 h ASP 118 N -0.08 0.23 -0.81 1.46 3.32 -1.87 0.19 116.42 118.87 2d93 h ASP 118 Ca 0.04 0.12 0.16 0.00 0.02 0.00 0.00 57.03 57.36 2d93 h ASP 118 Cb 0.19 0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.78 2d93 h ASP 118 CO -0.27 0.08 0.54 0.22 -1.72 0.00 0.00 179.24 178.08 2d93 h TYR 119 N 0.41 0.58 -0.17 4.55 3.20 0.10 0.43 116.97 126.08 2d93 h TYR 119 Ca 0.42 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.30 2d93 h TYR 119 Cb 0.65 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2d93 h TYR 119 CO -0.18 0.21 0.00 1.87 -1.64 0.00 0.00 178.16 178.42 2d93 n TRP 120 N -4.51 0.20 0.17 -3.82 -0.00 0.49 -3.69 117.44 106.28 2d93 n TRP 120 Ca 0.16 -0.10 0.11 0.00 -0.00 0.00 0.00 57.50 57.67 2d93 n TRP 120 Cb 0.54 0.00 -0.15 0.00 -0.00 0.00 0.00 31.31 31.70 2d93 n TRP 120 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 177.69 175.56 2d93 n ARG 121 N 0.94 0.54 0.00 5.87 0.63 0.14 -4.09 116.66 120.70 2d93 n ARG 121 Ca 0.17 -0.15 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 2d93 n ARG 121 Cb 0.49 -1.54 0.00 0.00 0.45 0.00 0.00 32.46 31.87 2d93 n ARG 121 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2d93 n ILE 122 N -2.15 0.00 -0.33 5.15 5.41 -0.63 -4.37 119.36 122.43 2d93 n ILE 122 Ca -0.02 0.47 0.21 0.00 1.00 0.00 0.00 62.75 64.41 2d93 n ILE 122 Cb 0.53 -1.46 0.44 0.00 -0.71 0.00 0.00 39.64 38.43 2d93 n ILE 122 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2d93 h LEU 123 N 0.00 0.52 0.00 1.39 4.07 -1.83 -3.41 115.31 116.05 2d93 h LEU 123 Ca 0.00 0.18 -0.22 0.00 0.08 0.00 0.00 57.88 57.92 2d93 h LEU 123 Cb 0.00 0.12 0.10 0.00 1.08 0.00 0.00 40.66 41.95 2d93 h LEU 123 CO 0.00 -0.07 0.16 0.59 -1.08 0.00 0.00 178.44 178.04 2d93 n ASN 124 N -5.02 -0.52 -3.41 -0.43 3.02 -1.26 -5.01 115.26 102.63 2d93 n ASN 124 Ca 0.30 -1.11 -0.31 0.00 -0.03 0.00 0.00 54.58 53.42 2d93 n ASN 124 Cb 0.90 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 39.49 2d93 n ASN 124 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2d93 n HIS 125 N -3.24 3.43 -3.52 3.10 8.25 -1.26 -4.91 115.22 117.07 2d93 n HIS 125 Ca 0.08 -3.66 -0.27 0.00 -0.26 0.00 0.00 57.72 53.61 2d93 n HIS 125 Cb 0.30 -0.73 -0.09 0.00 1.12 0.00 0.00 29.99 30.59 2d93 n HIS 125 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2d93 n VAL 126 N 0.52 1.66 -1.80 1.59 3.14 -1.26 -5.04 118.33 117.14 2d93 n VAL 126 Ca 0.31 -4.91 -0.28 0.00 -2.96 0.00 0.00 64.34 56.51 2d93 n VAL 126 Cb 0.37 -2.09 -0.05 0.00 -1.06 0.00 0.00 33.84 31.02 2d93 n VAL 126 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2d93 s GLU 127 N -1.95 2.19 -0.30 1.45 2.12 -1.26 -4.81 118.70 116.14 2d93 s GLU 127 Ca 0.35 0.52 -0.11 0.00 0.36 0.00 0.00 54.97 56.09 2d93 s GLU 127 Cb 0.10 -4.73 0.18 0.00 0.26 0.00 0.00 34.13 29.94 2d93 s GLU 127 CO -0.07 -3.52 0.93 0.21 -0.54 0.00 0.00 175.26 172.26 2d93 s LYS 128 N 7.84 0.31 -0.74 4.30 2.47 -1.26 -4.99 119.74 127.66 2d93 s LYS 128 Ca 0.82 0.60 -0.01 0.00 -1.56 0.00 0.00 55.97 55.82 2d93 s LYS 128 Cb -0.12 0.34 -0.01 0.00 -1.46 0.00 0.00 37.83 36.58 2d93 s LYS 128 CO 0.13 -0.27 0.63 0.43 0.16 0.00 0.00 175.35 176.42 2d93 n SER 129 N 5.34 -2.85 -2.36 1.43 7.64 -1.26 -5.05 113.62 116.52 2d93 n SER 129 Ca -0.06 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.40 2d93 n SER 129 Cb 0.53 -3.48 0.00 0.00 -1.01 0.00 0.00 64.21 60.24 2d93 n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d93 n GLY 130 N -1.15 0.16 0.00 0.23 0.00 -1.26 -4.89 105.19 98.28 2d93 n GLY 130 Ca -0.15 -1.68 0.06 0.00 0.00 0.00 0.00 46.02 44.25 2d93 n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d93 n PRO 131 N 0.00 0.49 -3.96 1.61 -0.04 -1.26 -4.71 135.00 127.13 2d93 n PRO 131 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 2d93 n PRO 131 Cb 0.00 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 2d93 n PRO 131 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d93 s SER 132 N -1.87 6.20 -0.09 3.54 0.15 -1.26 -5.10 113.70 115.28 2d93 s SER 132 Ca 0.17 0.37 0.03 0.00 0.70 0.00 0.00 55.95 57.22 2d93 s SER 132 Cb 0.08 -1.95 -0.01 0.00 -1.71 0.00 0.00 66.02 62.42 2d93 s SER 132 CO 0.13 0.36 -0.18 -0.94 1.20 0.00 0.00 173.24 173.80 2d93 s SER 133 N -1.32 3.62 0.00 5.45 1.04 -1.26 -4.92 113.70 116.31 2d93 s SER 133 Ca 0.19 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.24 2d93 s SER 133 Cb -0.12 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.82 2d93 s SER 133 CO 0.09 0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.15