#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 6.19 -0.80 1.61 0.15 -1.26 -4.86 113.70 114.73 2d93 s SER 2 Ca 0.00 2.44 -0.25 0.00 0.70 0.00 0.00 55.95 58.84 2d93 s SER 2 Cb 0.00 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 2d93 s SER 2 CO 0.00 -1.29 2.01 -0.44 1.20 0.00 0.00 173.24 174.72 2d93 s SER 3 N 5.43 4.96 0.43 5.45 0.01 -1.26 -4.94 113.70 123.78 2d93 s SER 3 Ca 0.91 -0.26 -0.24 0.00 1.31 0.00 0.00 55.95 57.67 2d93 s SER 3 Cb -0.40 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.21 2d93 s SER 3 CO 0.39 -2.83 1.14 -0.83 0.41 0.00 0.00 173.24 171.53 2d93 s GLY 4 N 8.65 2.79 -0.64 3.44 0.00 -1.26 -4.99 107.32 115.31 2d93 s GLY 4 Ca 0.74 0.90 -0.17 0.00 0.00 0.00 0.00 44.72 46.18 2d93 s GLY 4 CO 0.07 1.36 0.67 -0.56 0.00 0.00 0.00 173.10 174.64 2d93 s SER 5 N -1.35 6.32 0.95 1.64 0.01 -1.26 -5.05 113.70 114.96 2d93 s SER 5 Ca 0.61 -1.83 -0.14 0.00 1.31 0.00 0.00 55.95 55.90 2d93 s SER 5 Cb -0.28 -2.26 0.17 0.00 0.21 0.00 0.00 66.02 63.86 2d93 s SER 5 CO 0.34 -0.93 1.19 -0.55 0.41 0.00 0.00 173.24 173.71 2d93 s SER 6 N 3.36 3.17 0.00 2.44 0.15 -1.26 -4.77 113.70 116.78 2d93 s SER 6 Ca 0.11 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.44 2d93 s SER 6 Cb -0.22 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 2d93 s SER 6 CO 0.01 -2.74 0.00 0.61 1.20 0.00 0.00 173.24 172.33 2d93 n GLY 7 N -2.65 2.20 0.53 9.45 0.00 -1.26 -4.96 105.19 108.50 2d93 n GLY 7 Ca 0.10 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 2d93 n GLY 7 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2d93 h ASP 8 N 0.00 -1.14 -3.40 1.61 3.58 -2.06 -3.37 116.42 111.65 2d93 h ASP 8 Ca 0.00 0.04 -0.62 0.00 0.42 0.00 0.00 57.03 56.87 2d93 h ASP 8 Cb 0.00 0.30 -0.42 0.00 1.72 0.00 0.00 39.33 40.93 2d93 h ASP 8 CO 0.00 -0.81 -0.61 -1.81 -2.88 0.00 0.00 179.24 173.14 2d93 s ASP 9 N -4.03 4.54 0.03 2.28 1.11 -1.26 -4.96 116.67 114.38 2d93 s ASP 9 Ca -0.20 -3.59 -0.30 0.00 0.18 0.00 0.00 52.55 48.64 2d93 s ASP 9 Cb 0.02 -1.57 -0.17 0.00 1.07 0.00 0.00 42.92 42.27 2d93 s ASP 9 CO 0.60 -0.13 1.27 -0.78 1.18 0.00 0.00 175.17 177.31 2d93 h ASP 10 N 5.71 -0.93 -0.94 0.27 1.82 -1.97 -1.72 116.42 118.67 2d93 h ASP 10 Ca 0.09 0.03 0.26 0.00 -0.39 0.00 0.00 57.03 57.03 2d93 h ASP 10 Cb 0.80 0.24 -0.17 0.00 0.68 0.00 0.00 39.33 40.88 2d93 h ASP 10 CO 0.69 -0.57 0.12 0.40 -1.61 0.00 0.00 179.24 178.27 2d93 h ILE 11 N -1.28 0.13 -0.60 2.25 1.08 -1.96 0.85 117.51 117.97 2d93 h ILE 11 Ca -0.11 -0.02 -0.09 0.00 -0.39 0.00 0.00 64.86 64.24 2d93 h ILE 11 Cb 0.84 0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 2d93 h ILE 11 CO 0.18 0.01 0.02 -0.33 -0.69 0.00 0.00 178.15 177.35 2d93 h GLU 12 N 0.07 1.04 -0.21 2.37 4.39 -1.96 -1.27 114.58 119.01 2d93 h GLU 12 Ca 0.59 -0.31 -0.08 0.00 0.34 0.00 0.00 59.36 59.90 2d93 h GLU 12 Cb 1.24 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 2d93 h GLU 12 CO -0.81 1.00 -0.22 1.96 -1.16 0.00 0.00 179.01 179.78 2d93 h GLN 13 N 0.95 0.38 -0.09 2.33 1.08 0.15 -2.37 115.11 117.54 2d93 h GLN 13 Ca 0.17 -0.13 -0.18 0.00 -1.45 0.00 0.00 58.65 57.07 2d93 h GLN 13 Cb 0.52 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 27.93 2d93 h GLN 13 CO 0.03 0.59 -0.63 1.25 -0.95 0.00 0.00 178.83 179.11 2d93 h LEU 14 N 0.34 0.72 0.50 1.46 5.85 -0.39 -3.27 115.31 120.51 2d93 h LEU 14 Ca 0.06 -0.66 -0.02 0.00 0.84 0.00 0.00 57.88 58.09 2d93 h LEU 14 Cb 0.59 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2d93 h LEU 14 CO 0.04 1.27 -0.25 -0.07 -0.34 0.00 0.00 178.44 179.09 2d93 h LEU 15 N 0.22 -0.60 -0.97 2.25 3.38 -1.10 -1.19 115.31 117.30 2d93 h LEU 15 Ca -0.05 0.02 0.36 0.00 0.09 0.00 0.00 57.88 58.31 2d93 h LEU 15 Cb 1.28 0.16 -0.13 0.00 0.09 0.00 0.00 40.66 42.06 2d93 h LEU 15 CO 0.13 -0.41 0.58 -1.84 0.09 0.00 0.00 178.44 176.99 2d93 n GLU 16 N -3.87 -0.04 0.06 1.13 0.28 -0.90 0.59 120.64 117.89 2d93 n GLU 16 Ca -0.08 1.06 -0.10 0.00 -0.16 0.00 0.00 57.16 57.88 2d93 n GLU 16 Cb 0.27 -2.00 -0.07 0.00 1.43 0.00 0.00 31.44 31.07 2d93 n GLU 16 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2d93 h PHE 17 N 0.00 -0.23 -0.86 -1.84 3.57 -1.53 -3.27 116.94 112.79 2d93 h PHE 17 Ca 0.70 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 62.42 2d93 h PHE 17 Cb 2.07 0.07 -0.14 0.00 2.79 0.00 0.00 35.95 40.75 2d93 h PHE 17 CO -0.01 0.17 0.23 0.52 -2.23 0.00 0.00 178.31 177.00 2d93 h MET 18 N -0.91 0.22 -0.75 1.11 2.86 0.14 0.66 114.93 118.27 2d93 h MET 18 Ca -0.02 -0.01 0.15 0.00 -2.06 0.00 0.00 59.70 57.75 2d93 h MET 18 Cb 0.50 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 2d93 h MET 18 CO 0.04 0.15 0.50 1.25 1.06 0.00 0.00 176.91 179.91 2d93 h HIS 19 N 0.23 0.46 -0.14 -0.22 -0.00 -1.26 -1.47 115.15 112.75 2d93 h HIS 19 Ca 0.53 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.90 2d93 h HIS 19 Cb 1.04 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 28.30 2d93 h HIS 19 CO -0.26 0.17 0.05 1.96 -0.00 0.00 0.00 177.93 179.86 2d93 h GLN 20 N 0.39 0.21 -6.94 5.26 1.08 0.30 -3.39 115.11 112.03 2d93 h GLN 20 Ca 0.37 -0.04 -0.52 0.00 -1.45 0.00 0.00 58.65 57.01 2d93 h GLN 20 Cb 0.87 -0.03 0.07 0.00 -0.05 0.00 0.00 27.48 28.33 2d93 h GLN 20 CO -0.11 0.32 0.57 -0.51 -0.95 0.00 0.00 178.83 178.14 2d93 s LEU 21 N -9.82 4.22 0.09 1.46 1.43 -0.55 -4.89 118.68 110.62 2d93 s LEU 21 Ca -0.14 2.53 -0.15 0.00 -1.03 0.00 0.00 54.13 55.34 2d93 s LEU 21 Cb 0.06 -3.93 -0.09 0.00 0.03 0.00 0.00 46.19 42.26 2d93 s LEU 21 CO 0.70 -0.76 1.41 1.55 0.23 0.00 0.00 176.35 179.48 2d93 h PRO 22 N 2.71 0.67 -0.89 1.29 0.13 -1.82 0.22 132.00 134.31 2d93 h PRO 22 Ca -0.49 -0.36 0.16 0.00 -0.87 0.00 0.00 66.00 64.45 2d93 h PRO 22 Cb 1.24 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 2d93 h PRO 22 CO 0.63 0.97 0.58 0.00 -0.23 0.00 0.00 178.00 179.94 2d93 h ALA 23 N 0.70 1.96 0.12 -0.56 0.00 -1.90 -1.84 119.26 117.73 2d93 h ALA 23 Ca 0.04 0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.61 2d93 h ALA 23 Cb 0.84 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2d93 h ALA 23 CO 0.07 -0.22 -2.04 1.19 0.00 0.00 0.00 179.25 178.25 2d93 n PHE 24 N -4.55 1.16 -0.29 0.00 3.72 -1.18 -4.13 117.46 112.19 2d93 n PHE 24 Ca 0.18 0.25 0.26 0.00 -0.05 0.00 0.00 57.45 58.09 2d93 n PHE 24 Cb 0.55 -1.15 0.60 0.00 -0.94 0.00 0.00 39.48 38.54 2d93 n PHE 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2d93 h ALA 25 N 0.06 2.52 -0.38 4.37 0.00 -0.05 -0.08 119.26 125.70 2d93 h ALA 25 Ca -0.44 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.56 2d93 h ALA 25 Cb 2.02 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.79 2d93 h ALA 25 CO 0.07 -0.87 0.02 -0.91 0.00 0.00 0.00 179.25 177.56 2d93 h ASN 26 N 0.25 -0.12 -3.85 0.00 4.21 -1.51 -3.42 115.58 111.14 2d93 h ASN 26 Ca 0.54 0.08 -0.46 0.00 1.21 0.00 0.00 56.30 57.68 2d93 h ASN 26 Cb 1.66 0.14 0.16 0.00 -1.12 0.00 0.00 38.32 39.16 2d93 h ASN 26 CO -0.17 -0.02 0.18 -0.04 -1.29 0.00 0.00 177.43 176.09 2d93 s MET 27 N -6.18 0.45 0.20 0.81 -1.94 -0.05 -5.03 119.30 107.57 2d93 s MET 27 Ca -0.13 0.68 -0.08 0.00 -1.71 0.00 0.00 55.69 54.44 2d93 s MET 27 Cb 0.13 -1.73 -0.07 0.00 2.01 0.00 0.00 34.83 35.18 2d93 s MET 27 CO 0.71 -2.75 0.49 -0.08 -0.01 0.00 0.00 175.02 173.38 2d93 s THR 28 N -2.87 5.01 0.11 2.05 -1.32 -1.26 -4.93 115.64 112.43 2d93 s THR 28 Ca 0.65 0.32 -0.21 0.00 -1.21 0.00 0.00 61.69 61.25 2d93 s THR 28 Cb -0.19 -3.62 -0.05 0.00 -1.51 0.00 0.00 72.50 67.13 2d93 s THR 28 CO 0.58 -0.03 1.07 0.80 -2.21 0.00 0.00 174.62 174.83 2d93 n MET 29 N -0.06 -0.30 -0.21 7.08 1.56 -1.26 -0.56 117.12 123.37 2d93 n MET 29 Ca -0.00 1.05 -0.07 0.00 -0.27 0.00 0.00 57.70 58.41 2d93 n MET 29 Cb 0.52 -1.55 -0.06 0.00 2.15 0.00 0.00 33.22 34.28 2d93 n MET 29 CO 0.00 0.00 0.00 0.77 -0.73 0.00 0.00 175.97 176.01 2d93 h SER 30 N 0.00 -1.25 -0.92 6.12 0.02 -2.01 -1.06 113.55 114.45 2d93 h SER 30 Ca 0.11 0.19 0.10 0.00 -0.84 0.00 0.00 61.79 61.34 2d93 h SER 30 Cb 0.28 0.55 -0.12 0.00 0.14 0.00 0.00 62.40 63.24 2d93 h SER 30 CO -0.63 -0.16 -0.55 0.58 -1.14 0.00 0.00 176.83 174.93 2d93 h VAL 31 N -0.05 0.00 -0.07 2.27 2.07 -1.19 -1.89 116.25 117.40 2d93 h VAL 31 Ca 0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 2d93 h VAL 31 Cb 0.27 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2d93 h VAL 31 CO -0.51 0.00 -0.04 0.54 0.02 0.00 0.00 177.57 177.57 2d93 n ARG 32 N -5.31 -0.03 -0.24 1.57 1.74 -0.42 -0.34 116.66 113.63 2d93 n ARG 32 Ca 0.03 0.89 -0.05 0.00 -0.77 0.00 0.00 57.85 57.95 2d93 n ARG 32 Cb 0.30 -1.33 0.01 0.00 -1.02 0.00 0.00 32.46 30.42 2d93 n ARG 32 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2d93 h ARG 33 N 0.00 -0.13 -0.49 5.56 1.12 -1.16 0.20 114.38 119.48 2d93 h ARG 33 Ca 0.01 0.01 0.10 0.00 -1.11 0.00 0.00 59.98 58.99 2d93 h ARG 33 Cb 0.03 0.03 -0.10 0.00 -0.01 0.00 0.00 29.97 29.92 2d93 h ARG 33 CO -0.07 -0.09 -0.18 0.93 -3.11 0.00 0.00 179.97 177.45 2d93 h GLU 34 N -0.14 -0.07 -0.46 0.20 3.07 -0.22 -1.22 114.58 115.74 2d93 h GLU 34 Ca 0.25 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.20 2d93 h GLU 34 Cb 0.56 0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 28.40 2d93 h GLU 34 CO -0.74 -0.05 -0.12 -0.07 -1.40 0.00 0.00 179.01 176.63 2d93 h LEU 35 N -0.07 -0.45 -1.92 1.33 3.38 0.14 0.25 115.31 117.96 2d93 h LEU 35 Ca 0.23 0.14 0.23 0.00 0.09 0.00 0.00 57.88 58.57 2d93 h LEU 35 Cb 0.43 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2d93 h LEU 35 CO -0.54 -0.16 0.66 0.00 0.09 0.00 0.00 178.44 178.49 2d93 h SER 37 N 0.00 0.01 0.00 0.00 0.87 -0.29 -3.05 113.55 111.09 2d93 h SER 37 Ca 0.38 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2d93 h SER 37 Cb 1.69 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.64 2d93 h SER 37 CO -0.00 0.41 -0.28 1.33 -0.53 0.00 0.00 176.83 177.75 2d93 n VAL 38 N -4.06 1.97 -3.16 2.23 0.24 0.22 -5.05 118.33 110.72 2d93 n VAL 38 Ca -0.02 -2.69 -0.30 0.00 -2.04 0.00 0.00 64.34 59.29 2d93 n VAL 38 Cb 0.44 -0.20 -0.04 0.00 -1.47 0.00 0.00 33.84 32.57 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 -2.94 3.73 0.04 7.34 -1.94 0.55 -4.43 119.30 121.65 2d93 s MET 39 Ca 0.34 0.24 0.06 0.00 -1.71 0.00 0.00 55.69 54.63 2d93 s MET 39 Cb 0.32 -2.54 -0.03 0.00 2.01 0.00 0.00 34.83 34.59 2d93 s MET 39 CO -0.03 0.13 -0.15 0.42 -0.01 0.00 0.00 175.02 175.39 2d93 s ILE 40 N -2.15 3.05 -0.30 2.53 1.01 -0.30 -4.95 121.20 120.10 2d93 s ILE 40 Ca 0.48 -1.11 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 2d93 s ILE 40 Cb -0.11 -2.31 -0.00 0.00 0.01 0.00 0.00 42.46 40.05 2d93 s ILE 40 CO 0.29 0.32 0.11 -0.36 0.00 0.00 0.00 174.94 175.30 2d93 s PHE 41 N -0.98 3.15 -0.00 3.97 0.08 -1.26 -3.30 117.98 119.64 2d93 s PHE 41 Ca 0.16 -0.70 0.01 0.00 0.12 0.00 0.00 56.93 56.52 2d93 s PHE 41 Cb -0.11 -2.30 0.00 0.00 -0.57 0.00 0.00 43.02 40.04 2d93 s PHE 41 CO 0.07 -0.49 -0.03 -1.21 -0.10 0.00 0.00 175.22 173.47 2d93 s GLU 42 N 1.57 0.23 -0.04 0.44 0.41 -0.91 -5.04 118.70 115.37 2d93 s GLU 42 Ca 0.04 -0.08 -0.01 0.00 -0.41 0.00 0.00 54.97 54.51 2d93 s GLU 42 Cb -0.17 -0.24 0.03 0.00 -1.78 0.00 0.00 34.13 31.97 2d93 s GLU 42 CO 0.04 0.04 0.01 0.08 -0.49 0.00 0.00 175.26 174.95 2d93 s VAL 43 N 0.03 0.16 -0.21 2.63 1.01 -1.26 -1.13 120.40 121.63 2d93 s VAL 43 Ca 0.00 0.17 -0.19 0.00 0.00 0.00 0.00 61.98 61.96 2d93 s VAL 43 Cb -0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 2d93 s VAL 43 CO -0.00 0.18 0.54 -0.69 0.00 0.00 0.00 175.10 175.13 2d93 s VAL 44 N 1.48 5.08 -0.21 2.92 1.01 0.11 -4.93 120.40 125.86 2d93 s VAL 44 Ca -0.03 1.00 -0.09 0.00 0.00 0.00 0.00 61.98 62.85 2d93 s VAL 44 Cb -0.13 -3.86 -0.19 0.00 0.00 0.00 0.00 36.38 32.19 2d93 s VAL 44 CO -0.03 0.14 0.03 -0.62 0.00 0.00 0.00 175.10 174.63 2d93 n GLU 45 N 5.00 0.66 -2.71 2.72 1.02 -1.26 -1.23 120.64 124.83 2d93 n GLU 45 Ca -0.04 0.30 -0.42 0.00 -0.02 0.00 0.00 57.16 56.98 2d93 n GLU 45 Cb 0.50 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 2d93 n GLU 45 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2d93 s GLN 46 N -2.50 3.37 1.06 3.49 -2.07 -1.26 -3.79 119.66 117.95 2d93 s GLN 46 Ca -0.30 -0.11 -0.16 0.00 -1.82 0.00 0.00 55.36 52.96 2d93 s GLN 46 Cb 0.09 -4.07 0.08 0.00 -1.09 0.00 0.00 33.01 28.02 2d93 s GLN 46 CO 0.63 -1.66 0.15 0.00 -1.32 0.00 0.00 175.29 173.09 2d93 n ALA 47 N 8.08 -3.59 -1.45 2.60 0.00 -1.26 -2.80 120.51 122.09 2d93 n ALA 47 Ca 0.04 -1.03 -0.16 0.00 0.00 0.00 0.00 53.44 52.29 2d93 n ALA 47 Cb 0.48 -1.62 -0.07 0.00 0.00 0.00 0.00 19.45 18.24 2d93 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d93 n GLY 48 N 1.84 1.53 3.76 0.00 0.00 -1.11 -4.95 105.19 106.26 2d93 n GLY 48 Ca 0.03 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.44 3.34 -0.13 4.61 0.00 -1.12 -4.62 121.76 121.40 2d93 s ALA 49 Ca 0.00 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 52.43 2d93 s ALA 49 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2d93 s ALA 49 CO 0.00 -0.02 1.21 0.42 0.00 0.00 0.00 175.76 177.37 2d93 s ILE 50 N -1.24 4.33 -0.04 0.00 1.09 -1.26 -2.06 121.20 122.01 2d93 s ILE 50 Ca 0.45 1.62 -0.05 0.00 -1.10 0.00 0.00 60.65 61.58 2d93 s ILE 50 Cb -0.28 -4.05 -0.28 0.00 -1.06 0.00 0.00 42.46 36.79 2d93 s ILE 50 CO 0.36 -0.08 0.68 0.40 -0.10 0.00 0.00 174.94 176.19 2d93 h ILE 51 N 5.30 0.94 -2.59 2.92 1.08 -1.66 -3.48 117.51 120.02 2d93 h ILE 51 Ca -0.29 -2.60 -0.10 0.00 -0.39 0.00 0.00 64.86 61.48 2d93 h ILE 51 Cb 1.12 2.67 -0.21 0.00 -3.07 0.00 0.00 36.82 37.34 2d93 h ILE 51 CO 0.93 0.82 -0.10 -0.76 -0.69 0.00 0.00 178.15 178.35 2d93 s LEU 52 N -7.00 0.20 0.05 1.44 1.43 -1.25 -4.99 118.68 108.56 2d93 s LEU 52 Ca -0.13 0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 53.52 2d93 s LEU 52 Cb 0.06 1.75 -0.04 0.00 0.03 0.00 0.00 46.19 48.00 2d93 s LEU 52 CO 0.83 -0.40 0.21 -1.61 0.23 0.00 0.00 176.35 175.61 2d93 s GLU 53 N -0.77 3.45 -0.07 1.70 2.02 -1.26 -1.92 118.70 121.84 2d93 s GLU 53 Ca -0.08 -0.41 -0.30 0.00 0.02 0.00 0.00 54.97 54.20 2d93 s GLU 53 Cb -0.03 -3.04 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 2d93 s GLU 53 CO 0.05 0.62 1.47 0.16 0.02 0.00 0.00 175.26 177.58 2d93 s ASP 54 N -2.41 6.80 0.00 -0.19 -4.77 0.18 -3.27 116.67 113.00 2d93 s ASP 54 Ca 0.34 2.05 0.00 0.00 -3.30 0.00 0.00 52.55 51.63 2d93 s ASP 54 Cb -0.13 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.16 2d93 s ASP 54 CO 0.26 -0.82 0.00 0.61 0.70 0.00 0.00 175.17 175.92 2d93 n GLY 55 N 3.85 0.89 2.93 2.12 0.00 0.22 -4.86 105.19 110.35 2d93 n GLY 55 Ca 0.15 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.56 1.54 -0.49 1.61 0.74 -1.20 -4.91 119.66 114.38 2d93 s GLN 56 Ca 0.00 -1.06 -0.40 0.00 0.05 0.00 0.00 55.36 53.96 2d93 s GLN 56 Cb 0.00 -2.59 -0.18 0.00 1.10 0.00 0.00 33.01 31.34 2d93 s GLN 56 CO 0.00 -0.65 2.01 -1.91 -0.55 0.00 0.00 175.29 174.19 2d93 n GLU 57 N 4.66 0.00 -2.68 1.67 2.13 -1.26 -3.59 120.64 121.56 2d93 n GLU 57 Ca -0.10 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.29 2d93 n GLU 57 Cb 0.44 -1.39 -0.02 0.00 0.27 0.00 0.00 31.44 30.74 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 5.72 4.13 -0.14 4.31 1.43 -0.77 -4.90 118.68 128.45 2d93 s LEU 58 Ca 1.12 1.39 0.17 0.00 -1.03 0.00 0.00 54.13 55.78 2d93 s LEU 58 Cb -1.37 -3.52 0.43 0.00 0.03 0.00 0.00 46.19 41.76 2d93 s LEU 58 CO 0.60 -0.61 1.19 -0.90 0.23 0.00 0.00 176.35 176.86 2d93 n ASP 59 N 6.02 1.63 -3.64 2.29 5.68 -1.26 -4.35 116.55 122.92 2d93 n ASP 59 Ca 0.11 -3.07 -0.08 0.00 -0.50 0.00 0.00 54.79 51.25 2d93 n ASP 59 Cb 0.47 -0.43 -0.07 0.00 -1.14 0.00 0.00 41.12 39.95 2d93 n ASP 59 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2d93 s SER 60 N -2.81 -0.55 0.17 -1.12 1.04 -1.26 -3.29 113.70 105.87 2d93 s SER 60 Ca 0.37 1.00 -0.22 0.00 0.48 0.00 0.00 55.95 57.58 2d93 s SER 60 Cb 0.38 1.09 -0.08 0.00 0.10 0.00 0.00 66.02 67.51 2d93 s SER 60 CO -0.10 -0.17 0.71 0.86 0.98 0.00 0.00 173.24 175.52 2d93 s TRP 61 N 0.67 3.79 0.01 5.02 -0.00 -0.52 -3.87 118.94 124.03 2d93 s TRP 61 Ca -0.02 1.46 0.08 0.00 -0.00 0.00 0.00 56.10 57.63 2d93 s TRP 61 Cb -0.05 -2.65 -0.03 0.00 -0.00 0.00 0.00 33.47 30.75 2d93 s TRP 61 CO -0.09 0.47 -0.24 0.71 -0.00 0.00 0.00 176.95 177.79 2d93 s TYR 62 N -1.28 2.38 -0.03 5.86 1.51 0.22 -2.28 117.35 123.72 2d93 s TYR 62 Ca 0.37 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 56.05 2d93 s TYR 62 Cb -0.20 -1.46 0.03 0.00 -0.11 0.00 0.00 41.96 40.22 2d93 s TYR 62 CO 0.23 0.08 0.00 0.08 -1.11 0.00 0.00 175.55 174.83 2d93 s VAL 63 N -0.74 0.18 -0.17 0.71 1.01 -1.16 -0.73 120.40 119.51 2d93 s VAL 63 Ca 0.11 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 2d93 s VAL 63 Cb -0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 2d93 s VAL 63 CO 0.01 0.15 1.59 -0.63 0.00 0.00 0.00 175.10 176.22 2d93 s ILE 64 N 1.07 3.73 -0.21 2.22 1.01 -1.21 -3.12 121.20 124.69 2d93 s ILE 64 Ca -0.09 0.85 0.11 0.00 0.00 0.00 0.00 60.65 61.52 2d93 s ILE 64 Cb -0.13 -3.67 -0.22 0.00 0.01 0.00 0.00 42.46 38.44 2d93 s ILE 64 CO -0.02 -0.21 0.02 0.18 0.00 0.00 0.00 174.94 174.91 2d93 n LEU 65 N 7.90 1.21 -3.64 2.97 4.77 -0.78 -3.24 117.00 126.19 2d93 n LEU 65 Ca 0.18 -0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 56.07 2d93 n LEU 65 Cb 0.45 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 2d93 n LEU 65 CO 0.63 0.66 0.44 0.21 -1.33 0.00 0.00 177.39 178.00 2d93 s ASN 66 N -5.96 -0.81 0.00 -1.43 2.47 -1.16 -4.89 114.94 103.16 2d93 s ASN 66 Ca -0.19 1.36 0.00 0.00 0.42 0.00 0.00 52.86 54.46 2d93 s ASN 66 Cb 0.07 1.35 0.00 0.00 -1.45 0.00 0.00 41.25 41.22 2d93 s ASN 66 CO 0.75 -0.22 0.00 0.61 -3.72 0.00 0.00 177.10 174.52 2d93 n GLY 67 N 3.73 -3.21 3.20 1.21 0.00 -1.26 -1.81 105.19 107.04 2d93 n GLY 67 Ca -0.18 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.80 1.81 0.04 2.61 2.01 -1.26 -3.78 115.64 116.27 2d93 s THR 68 Ca 0.00 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.13 2d93 s THR 68 Cb 0.00 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 2d93 s THR 68 CO 0.00 0.51 -0.03 0.68 -0.69 0.00 0.00 174.62 175.09 2d93 s VAL 69 N 0.10 3.91 -0.06 3.82 -7.23 -1.24 -0.89 120.40 118.81 2d93 s VAL 69 Ca -0.09 -0.83 0.05 0.00 -1.81 0.00 0.00 61.98 59.30 2d93 s VAL 69 Cb -0.15 -2.78 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 2d93 s VAL 69 CO 0.05 0.27 -0.20 -0.70 -0.31 0.00 0.00 175.10 174.21 2d93 s GLU 70 N -1.82 2.60 -0.04 4.82 -6.30 0.14 -3.27 118.70 114.83 2d93 s GLU 70 Ca 0.21 -0.81 0.07 0.00 -2.50 0.00 0.00 54.97 51.94 2d93 s GLU 70 Cb -0.11 -2.28 -0.02 0.00 0.00 0.00 0.00 34.13 31.72 2d93 s GLU 70 CO 0.12 0.46 -0.25 0.42 0.02 0.00 0.00 175.26 176.04 2d93 s ILE 71 N -0.33 2.14 -0.03 -3.70 1.01 -1.18 0.02 121.20 119.14 2d93 s ILE 71 Ca 0.02 -1.06 0.04 0.00 0.00 0.00 0.00 60.65 59.65 2d93 s ILE 71 Cb -0.13 -1.76 -0.00 0.00 0.01 0.00 0.00 42.46 40.58 2d93 s ILE 71 CO 0.02 0.58 -0.13 -0.55 0.00 0.00 0.00 174.94 174.86 2d93 s SER 72 N -0.41 1.67 0.13 3.58 0.15 0.24 -1.43 113.70 117.62 2d93 s SER 72 Ca 0.04 -0.26 0.05 0.00 0.70 0.00 0.00 55.95 56.47 2d93 s SER 72 Cb -0.12 -0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 63.78 2d93 s SER 72 CO 0.01 0.13 0.07 -1.00 1.20 0.00 0.00 173.24 173.65 2d93 s HIS 73 N -0.02 3.08 -0.26 3.44 3.76 0.78 -0.34 115.29 125.74 2d93 s HIS 73 Ca -0.01 -0.01 0.27 0.00 -0.15 0.00 0.00 55.06 55.17 2d93 s HIS 73 Cb -0.09 -1.53 1.14 0.00 1.11 0.00 0.00 32.58 33.21 2d93 s HIS 73 CO 0.01 0.51 1.81 -1.00 -0.85 0.00 0.00 174.74 175.22 2d93 h PRO 74 N 2.92 0.00 0.05 8.40 0.13 -1.88 -3.06 132.00 138.55 2d93 h PRO 74 Ca -0.47 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 2d93 h PRO 74 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 2d93 h PRO 74 CO 0.62 0.00 -0.67 0.38 -0.23 0.00 0.00 178.00 178.10 2d93 h ASP 75 N 0.00 0.50 0.00 1.44 2.03 -1.95 -3.48 116.42 114.97 2d93 h ASP 75 Ca 0.00 -0.83 0.00 0.00 -0.73 0.00 0.00 57.03 55.47 2d93 h ASP 75 Cb 0.40 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.75 2d93 h ASP 75 CO 0.00 1.28 0.00 0.61 -1.03 0.00 0.00 179.24 180.10 2d93 n GLY 76 N 1.28 0.10 3.23 7.15 0.00 -1.16 -5.17 105.19 110.63 2d93 n GLY 76 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 0.98 -0.08 1.61 2.20 -1.26 -4.99 119.74 118.20 2d93 s LYS 77 Ca 0.00 -1.07 -0.02 0.00 -0.36 0.00 0.00 55.97 54.52 2d93 s LYS 77 Cb 0.00 -1.13 0.03 0.00 -1.51 0.00 0.00 37.83 35.23 2d93 s LYS 77 CO 0.00 0.26 0.02 0.08 -0.36 0.00 0.00 175.35 175.35 2d93 s VAL 78 N -1.22 0.25 0.61 4.02 1.01 -1.26 -0.16 120.40 123.66 2d93 s VAL 78 Ca 0.03 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 2d93 s VAL 78 Cb -0.10 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.82 2d93 s VAL 78 CO 0.03 0.17 0.91 -1.61 0.00 0.00 0.00 175.10 174.61 2d93 s GLU 79 N 2.02 2.69 -0.13 2.72 0.41 -0.51 -4.94 118.70 120.95 2d93 s GLU 79 Ca 0.04 -0.16 -0.04 0.00 -0.41 0.00 0.00 54.97 54.40 2d93 s GLU 79 Cb -0.13 -2.27 0.05 0.00 -1.78 0.00 0.00 34.13 30.00 2d93 s GLU 79 CO -0.05 -0.84 0.09 0.54 -0.49 0.00 0.00 175.26 174.51 2d93 s ASN 80 N -4.37 1.86 0.20 -0.19 4.22 -1.26 -3.09 114.94 112.31 2d93 s ASN 80 Ca 0.56 -0.34 0.07 0.00 -2.14 0.00 0.00 52.86 51.01 2d93 s ASN 80 Cb -0.11 -0.15 -0.04 0.00 1.28 0.00 0.00 41.25 42.24 2d93 s ASN 80 CO 0.44 -0.31 0.04 -0.76 -2.04 0.00 0.00 177.10 174.47 2d93 s LEU 81 N 2.17 3.41 0.13 3.54 1.43 -1.20 -5.09 118.68 123.07 2d93 s LEU 81 Ca 0.03 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2d93 s LEU 81 Cb -0.15 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 2d93 s LEU 81 CO -0.07 0.05 0.02 -0.36 0.23 0.00 0.00 176.35 176.22 2d93 s PHE 82 N -1.91 0.92 -0.37 0.29 0.08 -1.26 -3.71 117.98 112.01 2d93 s PHE 82 Ca 0.29 -1.12 -0.35 0.00 0.12 0.00 0.00 56.93 55.87 2d93 s PHE 82 Cb -0.09 -0.54 -0.15 0.00 -0.57 0.00 0.00 43.02 41.68 2d93 s PHE 82 CO 0.20 -0.38 1.20 -0.12 -0.10 0.00 0.00 175.22 176.02 2d93 n MET 83 N -0.10 0.00 0.00 0.44 1.56 -1.25 -0.93 117.12 116.84 2d93 n MET 83 Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.35 2d93 n MET 83 Cb 0.63 -1.13 0.00 0.00 2.15 0.00 0.00 33.22 34.87 2d93 n MET 83 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2d93 n GLY 84 N 2.99 3.16 3.06 -5.12 0.00 -1.20 -5.01 105.19 103.07 2d93 n GLY 84 Ca 0.23 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 2d93 n GLY 84 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2d93 n ASN 85 N 0.18 -3.34 -3.71 1.61 4.13 -0.11 -3.88 115.26 110.14 2d93 n ASN 85 Ca 0.00 -0.53 -0.14 0.00 1.68 0.00 0.00 54.58 55.59 2d93 n ASN 85 Cb 0.00 -0.83 -0.08 0.00 -1.54 0.00 0.00 39.78 37.33 2d93 n ASN 85 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2d93 s SER 86 N -2.29 -0.32 0.08 6.41 1.04 -1.26 -3.36 113.70 114.00 2d93 s SER 86 Ca 0.43 0.33 -0.17 0.00 0.48 0.00 0.00 55.95 57.03 2d93 s SER 86 Cb -0.08 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.53 2d93 s SER 86 CO 0.37 -0.42 0.41 0.72 0.98 0.00 0.00 173.24 175.30 2d93 s PHE 87 N -1.03 -0.23 0.00 5.02 -0.12 0.09 -5.02 117.98 116.70 2d93 s PHE 87 Ca -0.11 0.06 0.00 0.00 -0.05 0.00 0.00 56.93 56.83 2d93 s PHE 87 Cb -0.04 0.24 0.00 0.00 -0.63 0.00 0.00 43.02 42.59 2d93 s PHE 87 CO 0.05 -0.63 0.00 0.41 -0.05 0.00 0.00 175.22 174.99 2d93 n GLY 88 N 0.15 0.90 2.21 1.99 0.00 -1.26 0.69 105.19 109.86 2d93 n GLY 88 Ca -0.17 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 2d93 n GLY 88 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2d93 n ILE 89 N 0.00 0.00 -4.08 -0.61 -5.35 -1.25 -4.95 119.36 103.11 2d93 n ILE 89 Ca 0.00 -1.40 -0.24 0.00 -0.27 0.00 0.00 62.75 60.85 2d93 n ILE 89 Cb 0.00 0.14 -0.04 0.00 -1.74 0.00 0.00 39.64 37.99 2d93 n ILE 89 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2d93 s THR 90 N -1.96 4.57 -2.00 7.28 -4.23 -1.26 -4.84 115.64 113.20 2d93 s THR 90 Ca 0.05 -1.22 0.11 0.00 -1.18 0.00 0.00 61.69 59.45 2d93 s THR 90 Cb -0.00 -3.42 0.31 0.00 1.34 0.00 0.00 72.50 70.73 2d93 s THR 90 CO 0.03 -0.25 1.09 -0.81 -0.54 0.00 0.00 174.62 174.14 2d93 n PRO 91 N -0.87 0.49 -4.21 3.99 -0.04 -1.26 -4.69 135.00 128.40 2d93 n PRO 91 Ca -0.08 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.03 2d93 n PRO 91 Cb 0.56 -1.35 -0.09 0.00 -0.04 0.00 0.00 33.50 32.59 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 4.63 0.45 0.52 -4.23 -1.26 -4.11 115.64 109.63 2d93 s THR 92 Ca 0.16 -0.12 0.40 0.00 -1.18 0.00 0.00 61.69 60.95 2d93 s THR 92 Cb 0.08 -2.99 0.59 0.00 1.34 0.00 0.00 72.50 71.52 2d93 s THR 92 CO 0.13 0.58 1.29 0.18 -0.54 0.00 0.00 174.62 176.26 2d93 n LEU 93 N 2.39 0.02 -4.31 4.79 4.77 -1.26 -4.54 117.00 118.86 2d93 n LEU 93 Ca -0.19 0.86 -0.41 0.00 -0.03 0.00 0.00 56.01 56.25 2d93 n LEU 93 Cb 0.54 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2d93 n LEU 93 CO 0.30 -0.88 -0.42 0.47 -1.33 0.00 0.00 177.39 175.53 2d93 n ASP 94 N -3.69 -2.82 -4.61 -1.43 8.00 -1.26 -4.96 116.55 105.79 2d93 n ASP 94 Ca 0.36 0.78 -0.33 0.00 0.71 0.00 0.00 54.79 56.32 2d93 n ASP 94 Cb 1.63 -0.90 -0.10 0.00 -0.02 0.00 0.00 41.12 41.72 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 -1.09 2.67 0.06 -1.24 1.02 -1.26 -4.72 119.74 115.17 2d93 s LYS 95 Ca 0.59 -0.64 0.03 0.00 0.02 0.00 0.00 55.97 55.98 2d93 s LYS 95 Cb -0.60 -2.57 -0.03 0.00 -0.52 0.00 0.00 37.83 34.12 2d93 s LYS 95 CO 0.63 0.63 -0.10 -0.65 -0.92 0.00 0.00 175.35 174.94 2d93 s GLN 96 N -1.21 0.65 0.08 1.68 1.11 -1.26 -5.09 119.66 115.62 2d93 s GLN 96 Ca 0.16 -0.86 0.09 0.00 0.01 0.00 0.00 55.36 54.76 2d93 s GLN 96 Cb -0.11 -0.48 -0.04 0.00 -1.01 0.00 0.00 33.01 31.38 2d93 s GLN 96 CO 0.06 0.09 -0.22 0.71 0.01 0.00 0.00 175.29 175.94 2d93 s TYR 97 N -1.46 2.46 0.32 0.91 1.51 -1.26 -1.85 117.35 117.96 2d93 s TYR 97 Ca -0.06 -0.31 -0.28 0.00 -1.01 0.00 0.00 57.07 55.40 2d93 s TYR 97 Cb -0.09 -1.37 -0.10 0.00 -0.11 0.00 0.00 41.96 40.29 2d93 s TYR 97 CO 0.01 0.28 1.18 1.41 -1.11 0.00 0.00 175.55 177.32 2d93 s MET 98 N -1.72 4.45 -0.13 -0.62 1.75 -1.24 -4.90 119.30 116.89 2d93 s MET 98 Ca 0.15 1.95 0.17 0.00 -1.25 0.00 0.00 55.69 56.70 2d93 s MET 98 Cb -0.10 -3.06 0.28 0.00 2.84 0.00 0.00 34.83 34.79 2d93 s MET 98 CO 0.06 -0.01 1.15 0.72 -0.65 0.00 0.00 175.02 176.29 2d93 n HIS 99 N 0.86 0.00 -2.27 4.11 8.25 -1.26 0.72 115.22 125.63 2d93 n HIS 99 Ca 0.00 -0.97 0.00 0.00 -0.26 0.00 0.00 57.72 56.49 2d93 n HIS 99 Cb 0.44 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 -1.28 2.99 2.99 -1.41 0.00 -1.26 -4.35 105.19 102.86 2d93 n GLY 100 Ca 0.15 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.86 0.93 -0.06 -0.61 1.01 0.54 0.50 121.20 120.65 2d93 s ILE 101 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 2d93 s ILE 101 Cb 0.00 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 2d93 s ILE 101 CO 0.00 0.31 0.05 -0.69 0.00 0.00 0.00 174.94 174.61 2d93 s VAL 102 N 0.66 4.65 -0.19 2.92 1.01 -0.81 -0.60 120.40 128.05 2d93 s VAL 102 Ca -0.12 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 2d93 s VAL 102 Cb -0.15 -3.03 0.06 0.00 0.00 0.00 0.00 36.38 33.26 2d93 s VAL 102 CO 0.02 0.51 0.48 -0.13 0.00 0.00 0.00 175.10 175.98 2d93 s ARG 103 N -1.22 0.49 0.64 2.72 0.52 0.10 -1.54 118.95 120.66 2d93 s ARG 103 Ca 0.17 0.83 -0.17 0.00 -0.52 0.00 0.00 55.73 56.03 2d93 s ARG 103 Cb -0.12 0.09 -0.01 0.00 0.52 0.00 0.00 34.95 35.43 2d93 s ARG 103 CO 0.07 -0.13 1.21 0.95 0.02 0.00 0.00 175.30 177.41 2d93 s THR 104 N 1.11 2.56 -0.11 0.02 -4.23 -0.87 0.26 115.64 114.38 2d93 s THR 104 Ca -0.07 0.32 0.22 0.00 -1.18 0.00 0.00 61.69 60.98 2d93 s THR 104 Cb -0.06 -3.04 -0.33 0.00 1.34 0.00 0.00 72.50 70.41 2d93 s THR 104 CO -0.10 -0.10 0.52 0.29 -0.54 0.00 0.00 174.62 174.68 2d93 n LYS 105 N -1.96 0.60 -4.12 3.99 4.76 -0.06 -2.75 118.16 118.62 2d93 n LYS 105 Ca 0.13 -0.18 -0.20 0.00 -2.87 0.00 0.00 58.31 55.19 2d93 n LYS 105 Cb 0.50 -1.52 -0.07 0.00 -1.84 0.00 0.00 35.03 32.10 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 -2.19 0.00 -3.80 -0.18 0.24 -1.26 -4.79 118.33 106.35 2d93 n VAL 106 Ca -0.03 -2.21 -0.21 0.00 -2.04 0.00 0.00 64.34 59.85 2d93 n VAL 106 Cb 0.55 0.97 -0.03 0.00 -1.47 0.00 0.00 33.84 33.86 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 -3.21 5.59 -1.00 -1.34 -4.77 -1.26 -4.24 116.67 106.43 2d93 s ASP 107 Ca 0.29 -0.33 -0.01 0.00 -3.30 0.00 0.00 52.55 49.20 2d93 s ASP 107 Cb 0.01 -1.19 0.00 0.00 -1.09 0.00 0.00 42.92 40.65 2d93 s ASP 107 CO 0.20 -0.29 0.84 -0.67 0.70 0.00 0.00 175.17 175.96 2d93 n ASP 108 N -1.41 -2.75 -4.87 2.11 2.03 -0.62 -4.99 116.55 106.06 2d93 n ASP 108 Ca -0.03 -0.49 -0.34 0.00 0.52 0.00 0.00 54.79 54.44 2d93 n ASP 108 Cb 0.59 -4.24 -0.05 0.00 -0.72 0.00 0.00 41.12 36.69 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 -1.93 2.61 0.03 0.00 -0.21 -0.75 0.06 119.66 119.46 2d93 s GLN 110 Ca 0.33 -0.63 -0.11 0.00 0.02 0.00 0.00 55.36 54.96 2d93 s GLN 110 Cb -0.14 -2.48 0.01 0.00 1.00 0.00 0.00 33.01 31.41 2d93 s GLN 110 CO 0.18 0.64 0.24 -0.06 -2.12 0.00 0.00 175.29 174.17 2d93 s PHE 111 N -0.78 -0.04 0.04 0.91 0.08 -0.29 -1.87 117.98 116.03 2d93 s PHE 111 Ca 0.12 -0.08 0.08 0.00 0.12 0.00 0.00 56.93 57.17 2d93 s PHE 111 Cb -0.11 0.03 -0.03 0.00 -0.57 0.00 0.00 43.02 42.35 2d93 s PHE 111 CO 0.01 -0.43 -0.22 0.54 -0.10 0.00 0.00 175.22 175.03 2d93 s VAL 112 N -2.19 1.78 -0.04 -0.44 0.11 -1.18 -2.13 120.40 116.30 2d93 s VAL 112 Ca -0.08 -1.23 0.06 0.00 -2.93 0.00 0.00 61.98 57.80 2d93 s VAL 112 Cb -0.03 -1.53 -0.01 0.00 -1.53 0.00 0.00 36.38 33.28 2d93 s VAL 112 CO -0.01 0.26 -0.22 0.00 -3.33 0.00 0.00 175.10 171.79 2d93 s ILE 114 N -0.18 0.56 0.40 0.00 1.01 -0.97 -1.15 121.20 120.88 2d93 s ILE 114 Ca -0.01 -0.07 -0.26 0.00 0.00 0.00 0.00 60.65 60.31 2d93 s ILE 114 Cb -0.12 -0.62 -0.11 0.00 0.01 0.00 0.00 42.46 41.62 2d93 s ILE 114 CO 0.02 0.26 1.20 0.00 0.00 0.00 0.00 174.94 176.42 2d93 n ALA 115 N 4.50 0.98 0.07 9.38 0.00 -1.26 -1.44 120.51 132.73 2d93 n ALA 115 Ca -0.17 0.28 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 2d93 n ALA 115 Cb 0.50 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.71 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 2.04 -0.31 -0.94 0.00 5.75 -1.93 0.38 115.11 120.11 2d93 h GLN 116 Ca -0.46 0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.16 2d93 h GLN 116 Cb 1.30 0.07 -0.12 0.00 1.07 0.00 0.00 27.48 29.80 2d93 h GLN 116 CO 0.60 -0.20 -0.50 1.04 -2.65 0.00 0.00 178.83 177.12 2d93 n GLN 117 N -3.51 -0.36 -0.30 1.69 1.13 -1.26 0.10 117.38 114.88 2d93 n GLN 117 Ca -0.04 1.42 0.01 0.00 -1.94 0.00 0.00 57.00 56.46 2d93 n GLN 117 Cb 0.16 -2.10 0.20 0.00 0.11 0.00 0.00 30.24 28.61 2d93 n GLN 117 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2d93 h ASP 118 N 0.00 0.97 0.33 1.08 3.32 -1.89 0.11 116.42 120.34 2d93 h ASP 118 Ca 0.20 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 2d93 h ASP 118 Cb 0.44 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2d93 h ASP 118 CO -0.90 0.68 -0.04 0.22 -1.72 0.00 0.00 179.24 177.49 2d93 h TYR 119 N 1.14 0.00 -0.02 4.55 3.20 0.51 -1.26 116.97 125.08 2d93 h TYR 119 Ca 0.34 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.21 2d93 h TYR 119 Cb -0.02 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.25 2d93 h TYR 119 CO -0.00 0.04 -0.02 1.87 -1.64 0.00 0.00 178.16 178.41 2d93 n TRP 120 N -3.32 0.00 1.12 -3.82 -0.00 0.21 -4.06 117.44 107.56 2d93 n TRP 120 Ca -0.02 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.61 2d93 n TRP 120 Cb 0.17 0.00 0.20 0.00 -0.00 0.00 0.00 31.31 31.68 2d93 n TRP 120 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 2d93 n ARG 121 N 0.81 2.10 0.02 5.87 5.12 0.20 -3.88 116.66 126.89 2d93 n ARG 121 Ca 0.09 -1.64 -0.01 0.00 -1.93 0.00 0.00 57.85 54.35 2d93 n ARG 121 Cb 0.38 -1.47 -0.00 0.00 -1.16 0.00 0.00 32.46 30.21 2d93 n ARG 121 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2d93 n ILE 122 N 0.99 0.90 -0.33 0.55 5.41 -1.15 -4.30 119.36 121.43 2d93 n ILE 122 Ca 0.15 0.28 0.07 0.00 1.00 0.00 0.00 62.75 64.25 2d93 n ILE 122 Cb 0.53 -1.52 0.26 0.00 -0.71 0.00 0.00 39.64 38.21 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 -0.11 0.88-10.50 1.39 4.07 -1.81 -3.43 115.31 105.80 2d93 h LEU 123 Ca 0.00 0.03 -0.43 0.00 0.08 0.00 0.00 57.88 57.56 2d93 h LEU 123 Cb 0.11 -0.15 0.17 0.00 1.08 0.00 0.00 40.66 41.87 2d93 h LEU 123 CO 0.00 0.49 0.23 0.20 -1.08 0.00 0.00 178.44 178.28 2d93 s ASN 124 N -5.80 2.02 -0.51 -0.43 0.01 -1.25 -4.98 114.94 104.00 2d93 s ASN 124 Ca -0.11 0.68 0.02 0.00 -0.71 0.00 0.00 52.86 52.73 2d93 s ASN 124 Cb 0.21 -0.98 0.45 0.00 0.41 0.00 0.00 41.25 41.34 2d93 s ASN 124 CO 0.80 -3.45 1.64 1.41 -1.51 0.00 0.00 177.10 175.99 2d93 n HIS 125 N -4.32 3.03 -1.91 2.20 8.25 -1.26 -4.93 115.22 116.28 2d93 n HIS 125 Ca 0.11 -2.66 -0.41 0.00 -0.26 0.00 0.00 57.72 54.50 2d93 n HIS 125 Cb 0.59 -0.92 -0.02 0.00 1.12 0.00 0.00 29.99 30.76 2d93 n HIS 125 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2d93 s VAL 126 N -4.76 2.40 0.21 1.59 0.11 -1.26 -4.90 120.40 113.79 2d93 s VAL 126 Ca 0.58 0.34 -0.16 0.00 -2.93 0.00 0.00 61.98 59.81 2d93 s VAL 126 Cb 0.46 -3.22 0.22 0.00 -1.53 0.00 0.00 36.38 32.31 2d93 s VAL 126 CO -0.01 0.06 1.59 1.05 -3.33 0.00 0.00 175.10 174.46 2d93 h GLU 127 N 4.90 -0.07 -6.07 1.54 4.11 -1.98 -3.41 114.58 113.60 2d93 h GLU 127 Ca -0.47 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 58.75 2d93 h GLU 127 Cb 1.22 0.02 0.13 0.00 0.50 0.00 0.00 28.75 30.61 2d93 h GLU 127 CO 0.78 -0.05 -0.25 1.63 0.07 0.00 0.00 179.01 181.19 2d93 n LYS 128 N -5.46 -2.41 -4.38 1.06 4.76 -1.26 -5.03 118.16 105.44 2d93 n LYS 128 Ca 0.07 -0.71 -0.23 0.00 -2.87 0.00 0.00 58.31 54.58 2d93 n LYS 128 Cb 0.37 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 31.96 2d93 n LYS 128 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2d93 s SER 129 N -2.03 2.99 0.00 4.39 0.01 -1.26 -5.09 113.70 112.71 2d93 s SER 129 Ca 0.37 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.70 2d93 s SER 129 Cb -0.06 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.97 2d93 s SER 129 CO 0.34 -0.02 0.06 0.61 0.41 0.00 0.00 173.24 174.64 2d93 n GLY 130 N -0.02 0.50 3.77 3.44 0.00 -1.26 -4.65 105.19 106.95 2d93 n GLY 130 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 2d93 n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d93 s PRO 131 N -0.12 2.20 -1.45 1.61 0.04 -1.26 -3.53 135.00 132.49 2d93 s PRO 131 Ca 0.00 1.16 -0.03 0.00 0.04 0.00 0.00 61.00 62.17 2d93 s PRO 131 Cb 0.00 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.66 2d93 s PRO 131 CO 0.00 -1.68 0.25 0.43 0.04 0.00 0.00 177.00 176.04 2d93 n SER 132 N -3.54 -5.10 -4.66 6.66 7.64 -1.26 -4.87 113.62 108.49 2d93 n SER 132 Ca 0.09 -0.09 -0.47 0.00 1.01 0.00 0.00 58.87 59.41 2d93 n SER 132 Cb 0.53 -4.22 -0.04 0.00 -1.01 0.00 0.00 64.21 59.47 2d93 n SER 132 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2d93 n SER 133 N -2.15 2.79 0.00 6.43 3.41 -1.23 -5.06 113.62 117.82 2d93 n SER 133 Ca -0.15 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 2d93 n SER 133 Cb 0.63 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 2d93 n SER 133 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49