#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 4.52 -1.48 1.61 0.15 -1.26 -4.79 113.70 112.45 2d93 s SER 2 Ca 0.00 -3.25 -0.10 0.00 0.70 0.00 0.00 55.95 53.29 2d93 s SER 2 Cb 0.00 -1.65 0.06 0.00 -1.71 0.00 0.00 66.02 62.72 2d93 s SER 2 CO 0.00 -0.20 0.92 -0.24 1.20 0.00 0.00 173.24 174.92 2d93 n SER 3 N 2.79 -3.97 -4.46 5.45 2.88 -1.26 -4.97 113.62 110.09 2d93 n SER 3 Ca 0.09 -0.79 -0.30 0.00 -1.33 0.00 0.00 58.87 56.54 2d93 n SER 3 Cb 0.33 -3.93 -0.12 0.00 -0.75 0.00 0.00 64.21 59.73 2d93 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2d93 s GLY 4 N -3.56 1.60 0.16 0.46 0.00 -1.26 -5.14 107.32 99.57 2d93 s GLY 4 Ca 0.51 -1.25 0.09 0.00 0.00 0.00 0.00 44.72 44.06 2d93 s GLY 4 CO 0.83 -1.17 -0.21 -0.56 0.00 0.00 0.00 173.10 171.98 2d93 s SER 5 N -1.65 2.88 0.44 1.64 0.01 -1.26 -5.07 113.70 110.69 2d93 s SER 5 Ca 0.15 -0.82 0.08 0.00 1.31 0.00 0.00 55.95 56.67 2d93 s SER 5 Cb -0.10 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 65.95 2d93 s SER 5 CO 0.06 0.04 0.50 -0.44 0.41 0.00 0.00 173.24 173.81 2d93 s SER 6 N -2.48 5.30 0.00 2.44 0.01 -1.26 -5.11 113.70 112.60 2d93 s SER 6 Ca 0.15 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.77 2d93 s SER 6 Cb -0.07 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.68 2d93 s SER 6 CO 0.07 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.54 2d93 n GLY 7 N -1.75 4.31 0.24 3.44 0.00 -1.26 -5.02 105.19 105.15 2d93 n GLY 7 Ca 0.06 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 2d93 n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2d93 n ASP 8 N 0.00 2.10 -2.11 1.61 2.03 -1.26 -4.59 116.55 114.33 2d93 n ASP 8 Ca 0.00 0.04 -0.21 0.00 0.52 0.00 0.00 54.79 55.14 2d93 n ASP 8 Cb 0.00 -0.37 0.02 0.00 -0.72 0.00 0.00 41.12 40.04 2d93 n ASP 8 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2d93 n ASP 9 N -3.33 6.60 -0.11 1.67 8.00 -1.26 -4.63 116.55 123.49 2d93 n ASP 9 Ca -0.32 -3.18 -0.05 0.00 0.71 0.00 0.00 54.79 51.95 2d93 n ASP 9 Cb 0.79 -1.10 0.01 0.00 -0.02 0.00 0.00 41.12 40.80 2d93 n ASP 9 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2d93 h ASP 10 N 1.96 -0.36 0.44 -2.24 1.82 -1.96 0.21 116.42 116.29 2d93 h ASP 10 Ca 0.35 0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 57.08 2d93 h ASP 10 Cb 0.84 0.24 0.00 0.00 0.68 0.00 0.00 39.33 41.09 2d93 h ASP 10 CO 0.88 -0.13 -0.21 0.40 -1.61 0.00 0.00 179.24 178.57 2d93 h ILE 11 N -0.00 0.00 -1.14 2.25 2.04 -1.98 -2.60 117.51 116.08 2d93 h ILE 11 Ca 0.18 -0.44 0.36 0.00 1.00 0.00 0.00 64.86 65.96 2d93 h ILE 11 Cb 0.28 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.23 2d93 h ILE 11 CO -0.40 0.00 0.70 -0.33 0.00 0.00 0.00 178.15 178.13 2d93 h GLU 12 N -1.03 0.22 -0.39 2.37 5.08 -1.89 0.65 114.58 119.59 2d93 h GLU 12 Ca -0.06 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 2d93 h GLU 12 Cb 0.45 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2d93 h GLU 12 CO 0.10 0.15 -0.15 1.96 -1.00 0.00 0.00 179.01 180.07 2d93 h GLN 13 N 0.23 0.78 0.73 2.33 4.20 -0.59 -3.18 115.11 119.60 2d93 h GLN 13 Ca 0.74 -0.32 -0.04 0.00 0.06 0.00 0.00 58.65 59.09 2d93 h GLN 13 Cb 2.03 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 29.78 2d93 h GLN 13 CO -0.47 0.94 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.21 2d93 h LEU 14 N 0.58 -0.83 -0.70 1.46 3.38 0.65 -3.24 115.31 116.61 2d93 h LEU 14 Ca 0.09 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.16 2d93 h LEU 14 Cb 0.69 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.56 2d93 h LEU 14 CO 0.05 -0.50 -0.40 0.18 0.09 0.00 0.00 178.44 177.86 2d93 n LEU 15 N -5.15 -0.71 -0.32 1.67 7.99 -0.38 0.18 117.00 120.29 2d93 n LEU 15 Ca -0.12 1.25 0.17 0.00 -0.01 0.00 0.00 56.01 57.30 2d93 n LEU 15 Cb 0.39 -0.18 0.35 0.00 -0.11 0.00 0.00 43.42 43.87 2d93 n LEU 15 CO 0.29 -1.03 0.92 -0.33 -1.51 0.00 0.00 177.39 175.73 2d93 h GLU 16 N 0.00 0.10 -0.23 3.23 4.39 -1.59 0.50 114.58 120.98 2d93 h GLU 16 Ca 0.13 -0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.66 2d93 h GLU 16 Cb 0.30 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2d93 h GLU 16 CO -0.67 0.07 -0.50 0.35 -1.16 0.00 0.00 179.01 177.11 2d93 h PHE 17 N 0.10 0.95 0.00 4.33 3.57 0.19 -2.85 116.94 123.24 2d93 h PHE 17 Ca 0.63 -0.35 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2d93 h PHE 17 Cb 1.37 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.94 2d93 h PHE 17 CO -0.30 1.15 0.00 -1.33 -2.23 0.00 0.00 178.31 175.60 2d93 n MET 18 N -4.12 0.08 0.07 1.11 2.81 0.16 -1.62 117.12 115.61 2d93 n MET 18 Ca -0.05 0.52 -0.21 0.00 -1.81 0.00 0.00 57.70 56.14 2d93 n MET 18 Cb 0.59 -1.72 -0.15 0.00 -0.71 0.00 0.00 33.22 31.23 2d93 n MET 18 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2d93 h HIS 19 N 0.00 0.64 0.00 2.03 -0.00 -0.88 -3.11 115.15 113.83 2d93 h HIS 19 Ca 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 2d93 h HIS 19 Cb 0.07 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 2d93 h HIS 19 CO 0.00 1.60 0.00 0.00 -0.00 0.00 0.00 177.93 179.53 2d93 n GLN 20 N -3.55 0.20 -4.22 5.26 10.64 -0.64 -4.58 117.38 120.49 2d93 n GLN 20 Ca -0.23 0.14 -0.35 0.00 -1.83 0.00 0.00 57.00 54.74 2d93 n GLN 20 Cb 1.07 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.85 2d93 n GLN 20 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2d93 s LEU 21 N -2.62 3.67 0.11 2.61 1.43 -1.18 -5.02 118.68 117.68 2d93 s LEU 21 Ca 0.14 0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.22 2d93 s LEU 21 Cb 0.11 -1.88 -0.07 0.00 0.03 0.00 0.00 46.19 44.38 2d93 s LEU 21 CO 0.25 0.28 1.44 1.55 0.23 0.00 0.00 176.35 180.10 2d93 h PRO 22 N 5.88 0.79 -0.54 1.29 0.13 -1.83 0.24 132.00 137.96 2d93 h PRO 22 Ca -0.43 -0.41 0.14 0.00 -0.87 0.00 0.00 66.00 64.42 2d93 h PRO 22 Cb 1.19 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2d93 h PRO 22 CO 0.61 1.04 0.38 0.00 -0.23 0.00 0.00 178.00 179.81 2d93 h ALA 23 N 0.73 2.40 0.00 -0.56 0.00 -1.89 -2.26 119.26 117.68 2d93 h ALA 23 Ca 0.05 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.57 2d93 h ALA 23 Cb 0.90 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2d93 h ALA 23 CO 0.08 -0.55 -2.05 1.19 0.00 0.00 0.00 179.25 177.92 2d93 n PHE 24 N -4.40 0.42 -0.56 0.00 3.72 -1.16 -4.29 117.46 111.19 2d93 n PHE 24 Ca 0.10 0.18 0.46 0.00 -0.05 0.00 0.00 57.45 58.14 2d93 n PHE 24 Cb 0.56 -1.04 0.80 0.00 -0.94 0.00 0.00 39.48 38.85 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 -0.76 3.58 -0.79 4.37 0.00 -0.33 0.21 119.26 125.54 2d93 h ALA 25 Ca -0.56 -0.06 0.19 0.00 0.00 0.00 0.00 54.91 54.48 2d93 h ALA 25 Cb 1.51 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 19.31 2d93 h ALA 25 CO -0.33 -2.06 0.17 -0.97 0.00 0.00 0.00 179.25 176.06 2d93 h ASN 26 N 0.00 -0.04 -3.00 0.00 -0.73 -1.60 -3.40 115.58 106.81 2d93 h ASN 26 Ca 0.80 0.17 -0.52 0.00 1.87 0.00 0.00 56.30 58.62 2d93 h ASN 26 Cb 3.20 0.24 -0.01 0.00 0.27 0.00 0.00 38.32 42.02 2d93 h ASN 26 CO -0.01 -0.10 -0.23 0.00 -0.37 0.00 0.00 177.43 176.71 2d93 s MET 27 N -6.02 3.57 1.22 6.67 0.23 0.74 -5.10 119.30 120.62 2d93 s MET 27 Ca -0.13 -0.19 -0.20 0.00 -1.03 0.00 0.00 55.69 54.14 2d93 s MET 27 Cb 0.23 -2.74 0.31 0.00 -1.53 0.00 0.00 34.83 31.11 2d93 s MET 27 CO 0.76 0.29 0.93 -2.37 -2.03 0.00 0.00 175.02 172.60 2d93 n THR 28 N -0.89 0.00 0.44 3.16 5.66 -1.26 -4.89 114.28 116.50 2d93 n THR 28 Ca -0.03 -0.27 -0.19 0.00 -3.05 0.00 0.00 64.05 60.51 2d93 n THR 28 Cb 0.54 -1.10 -0.09 0.00 -1.55 0.00 0.00 70.33 68.13 2d93 n THR 28 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 2d93 h MET 29 N 0.00 -1.08 -0.12 1.09 4.05 -1.95 -3.22 114.93 113.69 2d93 h MET 29 Ca -0.37 0.07 0.01 0.00 -0.28 0.00 0.00 59.70 59.13 2d93 h MET 29 Cb 1.18 0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 32.22 2d93 h MET 29 CO 0.24 -0.71 -0.07 0.45 0.23 0.00 0.00 176.91 177.04 2d93 n SER 30 N -5.55 -0.13 -0.28 1.39 2.88 -1.26 0.13 113.62 110.80 2d93 n SER 30 Ca -0.15 0.86 0.23 0.00 -1.33 0.00 0.00 58.87 58.47 2d93 n SER 30 Cb 0.45 -0.35 0.42 0.00 -0.75 0.00 0.00 64.21 63.99 2d93 n SER 30 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2d93 n VAL 31 N -3.11 -0.36 0.30 2.46 0.31 -1.24 0.21 118.33 116.91 2d93 n VAL 31 Ca 0.00 1.78 -0.15 0.00 -0.01 0.00 0.00 64.34 65.96 2d93 n VAL 31 Cb 0.03 -2.79 -0.08 0.00 -0.91 0.00 0.00 33.84 30.09 2d93 n VAL 31 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2d93 h ARG 32 N 0.00 -0.75 -0.86 5.55 3.08 0.10 -2.12 114.38 119.39 2d93 h ARG 32 Ca 0.66 0.05 0.22 0.00 0.07 0.00 0.00 59.98 60.98 2d93 h ARG 32 Cb 1.65 0.17 -0.14 0.00 0.08 0.00 0.00 29.97 31.73 2d93 h ARG 32 CO -0.70 -0.44 0.23 -0.09 -1.07 0.00 0.00 179.97 177.90 2d93 h ARG 33 N -1.00 0.22 -0.67 0.04 9.65 0.70 0.31 114.38 123.63 2d93 h ARG 33 Ca -0.08 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.75 2d93 h ARG 33 Cb 0.66 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.16 2d93 h ARG 33 CO 0.13 0.15 0.28 0.93 2.80 0.00 0.00 179.97 184.26 2d93 h GLU 34 N 0.23 0.99 0.20 0.20 5.08 -1.21 -3.07 114.58 116.99 2d93 h GLU 34 Ca 0.53 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.71 2d93 h GLU 34 Cb 1.03 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2d93 h GLU 34 CO -0.63 0.81 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.03 2d93 h LEU 35 N 0.94 -0.22 -1.00 1.33 3.38 0.25 -1.85 115.31 118.13 2d93 h LEU 35 Ca 0.22 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.28 2d93 h LEU 35 Cb 0.18 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2d93 h LEU 35 CO -0.02 -0.15 0.82 0.00 0.09 0.00 0.00 178.44 179.18 2d93 h SER 37 N 0.00 0.95 -0.10 0.00 0.87 -1.36 -3.25 113.55 110.67 2d93 h SER 37 Ca 0.14 -0.49 -0.02 0.00 -1.23 0.00 0.00 61.79 60.20 2d93 h SER 37 Cb 1.77 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 63.45 2d93 h SER 37 CO -0.00 1.28 -0.07 1.33 -0.53 0.00 0.00 176.83 178.83 2d93 n VAL 38 N -4.02 2.09 -2.80 2.23 0.24 0.32 -4.98 118.33 111.41 2d93 n VAL 38 Ca -0.03 -2.35 -0.43 0.00 -2.04 0.00 0.00 64.34 59.49 2d93 n VAL 38 Cb 0.60 -0.25 -0.04 0.00 -1.47 0.00 0.00 33.84 32.68 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 3.44 0.30 7.34 -1.94 0.92 -4.46 119.30 121.95 2d93 s MET 39 Ca 0.37 -0.02 -0.20 0.00 -1.71 0.00 0.00 55.69 54.12 2d93 s MET 39 Cb 0.32 -3.99 -0.09 0.00 2.01 0.00 0.00 34.83 33.08 2d93 s MET 39 CO 0.03 -1.39 0.81 0.42 -0.01 0.00 0.00 175.02 174.88 2d93 s ILE 40 N 3.96 4.48 -0.16 2.53 1.01 -0.25 -4.94 121.20 127.83 2d93 s ILE 40 Ca 0.35 1.37 -0.06 0.00 0.00 0.00 0.00 60.65 62.30 2d93 s ILE 40 Cb -0.11 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2d93 s ILE 40 CO 0.23 0.04 0.06 -0.36 0.00 0.00 0.00 174.94 174.91 2d93 s PHE 41 N -1.73 3.27 -0.19 3.97 0.40 -1.26 -2.51 117.98 119.93 2d93 s PHE 41 Ca 0.50 0.14 -0.17 0.00 -0.60 0.00 0.00 56.93 56.79 2d93 s PHE 41 Cb -0.15 -2.01 0.05 0.00 0.51 0.00 0.00 43.02 41.42 2d93 s PHE 41 CO 0.20 0.28 0.51 -1.21 0.70 0.00 0.00 175.22 175.69 2d93 s GLU 42 N -0.01 0.59 -0.06 0.44 0.41 -0.88 -4.97 118.70 114.21 2d93 s GLU 42 Ca 0.06 0.72 -0.03 0.00 -0.41 0.00 0.00 54.97 55.31 2d93 s GLU 42 Cb -0.12 0.27 0.04 0.00 -1.78 0.00 0.00 34.13 32.54 2d93 s GLU 42 CO 0.01 -0.08 0.14 0.54 -0.49 0.00 0.00 175.26 175.38 2d93 s VAL 43 N 0.34 -0.09 -0.15 2.63 0.11 -1.26 0.33 120.40 122.30 2d93 s VAL 43 Ca -0.01 0.23 -0.22 0.00 -2.93 0.00 0.00 61.98 59.05 2d93 s VAL 43 Cb -0.04 -0.24 -0.03 0.00 -1.53 0.00 0.00 36.38 34.55 2d93 s VAL 43 CO -0.00 0.09 0.66 -0.69 -3.33 0.00 0.00 175.10 171.83 2d93 s VAL 44 N 1.42 5.02 -0.11 2.04 1.01 0.20 -4.96 120.40 125.02 2d93 s VAL 44 Ca -0.06 1.29 -0.14 0.00 0.00 0.00 0.00 61.98 63.06 2d93 s VAL 44 Cb -0.12 -3.98 -0.27 0.00 0.00 0.00 0.00 36.38 32.01 2d93 s VAL 44 CO -0.06 0.15 0.51 -0.33 0.00 0.00 0.00 175.10 175.37 2d93 h GLU 45 N 7.22 0.24 -5.71 2.72 4.39 -1.95 -1.79 114.58 119.69 2d93 h GLU 45 Ca -0.34 -0.41 -0.60 0.00 0.34 0.00 0.00 59.36 58.35 2d93 h GLU 45 Cb 1.16 0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 29.86 2d93 h GLU 45 CO 0.78 1.20 0.39 1.14 -1.16 0.00 0.00 179.01 181.35 2d93 s GLN 46 N -2.49 4.16 1.33 2.33 -2.07 -1.26 -3.43 119.66 118.23 2d93 s GLN 46 Ca -0.21 0.84 -0.20 0.00 -1.82 0.00 0.00 55.36 53.97 2d93 s GLN 46 Cb 0.05 -3.65 0.33 0.00 -1.09 0.00 0.00 33.01 28.66 2d93 s GLN 46 CO 0.76 -0.49 0.98 0.00 -1.32 0.00 0.00 175.29 175.22 2d93 s ALA 47 N 2.75 -0.48 -1.47 2.60 0.00 -1.26 -3.36 121.76 120.54 2d93 s ALA 47 Ca 0.32 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2d93 s ALA 47 Cb -0.15 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2d93 s ALA 47 CO 0.08 -4.26 0.00 0.41 0.00 0.00 0.00 175.76 171.99 2d93 n GLY 48 N 0.86 1.32 3.75 0.00 0.00 -1.23 -4.91 105.19 104.98 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 -2.16 3.33 -0.25 4.61 0.00 -1.21 -4.69 121.76 121.39 2d93 s ALA 49 Ca 0.00 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 2d93 s ALA 49 Cb 0.00 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.91 2d93 s ALA 49 CO 0.00 0.17 1.13 0.42 0.00 0.00 0.00 175.76 177.48 2d93 s ILE 50 N -1.23 4.48 -0.03 0.00 1.09 -1.26 -1.73 121.20 122.52 2d93 s ILE 50 Ca 0.42 1.75 -0.16 0.00 -1.10 0.00 0.00 60.65 61.56 2d93 s ILE 50 Cb -0.26 -4.26 -0.32 0.00 -1.06 0.00 0.00 42.46 36.56 2d93 s ILE 50 CO 0.32 -0.30 0.83 0.40 -0.10 0.00 0.00 174.94 176.09 2d93 h ILE 51 N 5.61 1.22 -2.94 2.92 1.08 -1.59 -3.48 117.51 120.34 2d93 h ILE 51 Ca -0.22 -2.57 -0.13 0.00 -0.39 0.00 0.00 64.86 61.55 2d93 h ILE 51 Cb 1.07 2.97 -0.23 0.00 -3.07 0.00 0.00 36.82 37.56 2d93 h ILE 51 CO 1.00 0.78 -0.30 -0.76 -0.69 0.00 0.00 178.15 178.18 2d93 s LEU 52 N -7.60 0.73 -0.05 1.44 1.43 -1.24 -4.99 118.68 108.40 2d93 s LEU 52 Ca -0.13 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 53.45 2d93 s LEU 52 Cb 0.04 1.21 -0.04 0.00 0.03 0.00 0.00 46.19 47.43 2d93 s LEU 52 CO 0.87 -0.22 0.12 -1.61 0.23 0.00 0.00 176.35 175.74 2d93 s GLU 53 N -0.26 3.27 0.37 1.70 2.02 -1.26 -1.54 118.70 123.00 2d93 s GLU 53 Ca -0.04 -0.33 -0.28 0.00 0.02 0.00 0.00 54.97 54.35 2d93 s GLU 53 Cb -0.03 -3.01 -0.10 0.00 0.10 0.00 0.00 34.13 31.08 2d93 s GLU 53 CO 0.02 0.70 1.43 0.16 0.02 0.00 0.00 175.26 177.59 2d93 s ASP 54 N -1.48 6.40 0.00 -0.19 -4.77 -0.81 -3.03 116.67 112.80 2d93 s ASP 54 Ca 0.21 2.94 0.00 0.00 -3.30 0.00 0.00 52.55 52.40 2d93 s ASP 54 Cb -0.12 -2.66 0.00 0.00 -1.09 0.00 0.00 42.92 39.05 2d93 s ASP 54 CO 0.11 -0.82 0.00 0.61 0.70 0.00 0.00 175.17 175.77 2d93 n GLY 55 N 0.55 0.52 3.18 2.12 0.00 0.37 -4.96 105.19 106.97 2d93 n GLY 55 Ca 0.01 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.54 3.11 -0.81 1.61 0.74 -1.17 -4.90 119.66 114.70 2d93 s GLN 56 Ca 0.00 -0.77 -0.23 0.00 0.05 0.00 0.00 55.36 54.41 2d93 s GLN 56 Cb 0.00 -2.68 -0.18 0.00 1.10 0.00 0.00 33.01 31.25 2d93 s GLN 56 CO 0.00 -0.18 2.37 -1.91 -0.55 0.00 0.00 175.29 175.02 2d93 n GLU 57 N 4.60 0.48 -1.69 1.67 2.13 -1.26 -2.64 120.64 123.93 2d93 n GLU 57 Ca -0.20 -0.59 -0.43 0.00 0.66 0.00 0.00 57.16 56.60 2d93 n GLU 57 Cb 0.50 -3.09 -0.03 0.00 0.27 0.00 0.00 31.44 29.10 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 11.57 3.49 -0.21 4.31 1.43 -0.58 -4.82 118.68 133.87 2d93 s LEU 58 Ca 1.02 1.80 0.13 0.00 -1.03 0.00 0.00 54.13 56.06 2d93 s LEU 58 Cb -0.31 -3.51 0.42 0.00 0.03 0.00 0.00 46.19 42.81 2d93 s LEU 58 CO 0.20 -1.87 1.27 -0.90 0.23 0.00 0.00 176.35 175.29 2d93 n ASP 59 N 11.24 2.23 -3.62 2.29 5.75 -1.26 -4.41 116.55 128.77 2d93 n ASP 59 Ca 0.28 -3.60 -0.03 0.00 -0.01 0.00 0.00 54.79 51.43 2d93 n ASP 59 Cb 0.45 -0.53 -0.06 0.00 -1.03 0.00 0.00 41.12 39.96 2d93 n ASP 59 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2d93 s SER 60 N -2.88 -0.90 0.05 -1.12 0.01 -1.26 -2.23 113.70 105.36 2d93 s SER 60 Ca 0.38 1.34 -0.30 0.00 1.31 0.00 0.00 55.95 58.69 2d93 s SER 60 Cb 0.35 1.70 -0.04 0.00 0.21 0.00 0.00 66.02 68.24 2d93 s SER 60 CO -0.02 -0.20 0.99 0.86 0.41 0.00 0.00 173.24 175.28 2d93 s TRP 61 N 2.11 3.70 0.14 2.43 -0.00 -0.22 -4.42 118.94 122.69 2d93 s TRP 61 Ca -0.08 1.71 0.05 0.00 -0.00 0.00 0.00 56.10 57.79 2d93 s TRP 61 Cb -0.07 -3.12 -0.04 0.00 -0.00 0.00 0.00 33.47 30.24 2d93 s TRP 61 CO -0.19 -0.01 0.09 0.71 -0.00 0.00 0.00 176.95 177.54 2d93 s TYR 62 N 0.62 3.08 -0.08 5.86 1.51 0.49 -2.19 117.35 126.63 2d93 s TYR 62 Ca 0.50 -0.02 -0.04 0.00 -1.01 0.00 0.00 57.07 56.51 2d93 s TYR 62 Cb -0.22 -1.51 0.04 0.00 -0.11 0.00 0.00 41.96 40.16 2d93 s TYR 62 CO 0.29 0.51 0.18 0.08 -1.11 0.00 0.00 175.55 175.50 2d93 s VAL 63 N -1.62 -0.12 -0.04 0.71 1.01 -1.13 -1.42 120.40 117.78 2d93 s VAL 63 Ca 0.29 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 2d93 s VAL 63 Cb -0.11 -0.30 -0.07 0.00 0.00 0.00 0.00 36.38 35.90 2d93 s VAL 63 CO 0.22 0.09 1.95 -0.63 0.00 0.00 0.00 175.10 176.73 2d93 s ILE 64 N 1.54 3.14 -0.18 2.22 1.01 -1.19 -2.86 121.20 124.87 2d93 s ILE 64 Ca -0.06 0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.80 2d93 s ILE 64 Cb -0.11 -3.12 -0.22 0.00 0.01 0.00 0.00 42.46 39.02 2d93 s ILE 64 CO -0.07 -0.03 0.11 0.18 0.00 0.00 0.00 174.94 175.13 2d93 n LEU 65 N 8.27 1.98 -3.64 2.97 4.77 -0.72 -3.56 117.00 127.08 2d93 n LEU 65 Ca 0.21 0.05 -0.07 0.00 -0.03 0.00 0.00 56.01 56.17 2d93 n LEU 65 Cb 0.42 -0.52 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 2d93 n LEU 65 CO 0.67 0.75 0.48 0.21 -1.33 0.00 0.00 177.39 178.17 2d93 s ASN 66 N -6.38 -0.76 0.00 -1.43 2.47 -1.13 -4.86 114.94 102.86 2d93 s ASN 66 Ca -0.22 1.27 0.00 0.00 0.42 0.00 0.00 52.86 54.33 2d93 s ASN 66 Cb 0.08 1.31 0.00 0.00 -1.45 0.00 0.00 41.25 41.18 2d93 s ASN 66 CO 0.72 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 174.51 2d93 n GLY 67 N 3.65 -1.55 3.18 1.21 0.00 -1.26 -1.02 105.19 109.40 2d93 n GLY 67 Ca -0.18 -2.10 -0.25 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.07 1.45 -0.05 2.61 2.01 -1.26 -3.32 115.64 117.00 2d93 s THR 68 Ca 0.00 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.25 2d93 s THR 68 Cb 0.00 -1.21 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 2d93 s THR 68 CO 0.00 0.40 -0.21 0.68 -0.69 0.00 0.00 174.62 174.80 2d93 s VAL 69 N -0.45 1.72 -0.17 3.82 -7.23 -1.18 -0.20 120.40 116.71 2d93 s VAL 69 Ca 0.07 -0.87 -0.05 0.00 -1.81 0.00 0.00 61.98 59.31 2d93 s VAL 69 Cb -0.07 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.37 2d93 s VAL 69 CO -0.01 0.49 0.01 -0.70 -0.31 0.00 0.00 175.10 174.58 2d93 s GLU 70 N -0.01 3.79 -0.11 4.82 2.12 0.10 -2.41 118.70 127.00 2d93 s GLU 70 Ca -0.05 -0.45 -0.03 0.00 0.36 0.00 0.00 54.97 54.80 2d93 s GLU 70 Cb -0.13 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 2d93 s GLU 70 CO 0.03 0.23 0.01 0.42 -0.54 0.00 0.00 175.26 175.42 2d93 s ILE 71 N 0.42 4.39 -0.09 -3.70 1.01 0.13 -1.20 121.20 122.16 2d93 s ILE 71 Ca -0.01 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.48 2d93 s ILE 71 Cb -0.13 -2.88 -0.00 0.00 0.01 0.00 0.00 42.46 39.46 2d93 s ILE 71 CO 0.02 0.57 -0.24 -0.44 0.00 0.00 0.00 174.94 174.85 2d93 s SER 72 N -0.57 3.05 0.02 3.58 0.01 0.50 -1.86 113.70 118.43 2d93 s SER 72 Ca 0.10 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.83 2d93 s SER 72 Cb -0.12 -1.30 -0.04 0.00 0.21 0.00 0.00 66.02 64.77 2d93 s SER 72 CO 0.02 0.17 0.04 -1.00 0.41 0.00 0.00 173.24 172.88 2d93 s HIS 73 N 0.27 3.15 0.14 2.43 3.76 0.10 -0.30 115.29 124.84 2d93 s HIS 73 Ca -0.16 0.11 0.34 0.00 -0.15 0.00 0.00 55.06 55.19 2d93 s HIS 73 Cb -0.17 -1.67 1.40 0.00 1.11 0.00 0.00 32.58 33.24 2d93 s HIS 73 CO 0.08 0.50 2.00 -1.00 -0.85 0.00 0.00 174.74 175.47 2d93 h PRO 74 N 4.02 0.00 -0.00 8.40 0.13 -1.86 -3.02 132.00 139.66 2d93 h PRO 74 Ca -0.49 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.39 2d93 h PRO 74 Cb 1.17 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 2d93 h PRO 74 CO 0.60 0.02 -0.99 0.38 -0.23 0.00 0.00 178.00 177.78 2d93 h ASP 75 N 0.00 0.87 0.00 1.44 3.04 -1.95 -3.47 116.42 116.35 2d93 h ASP 75 Ca -0.00 -0.74 0.00 0.00 -3.24 0.00 0.00 57.03 53.05 2d93 h ASP 75 Cb 0.50 -0.27 0.00 0.00 -1.04 0.00 0.00 39.33 38.52 2d93 h ASP 75 CO 0.00 1.50 0.00 0.61 -2.04 0.00 0.00 179.24 179.31 2d93 n GLY 76 N 1.08 0.29 3.31 7.15 0.00 -1.14 -5.16 105.19 110.72 2d93 n GLY 76 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 1.21 -0.20 1.61 2.20 -1.25 -4.99 119.74 118.33 2d93 s LYS 77 Ca 0.00 -1.21 -0.04 0.00 -0.36 0.00 0.00 55.97 54.37 2d93 s LYS 77 Cb 0.00 -1.54 0.06 0.00 -1.51 0.00 0.00 37.83 34.84 2d93 s LYS 77 CO 0.00 0.36 0.06 0.08 -0.36 0.00 0.00 175.35 175.50 2d93 s VAL 78 N -1.12 0.28 -0.03 4.02 1.01 -1.26 0.03 120.40 123.32 2d93 s VAL 78 Ca 0.09 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.40 2d93 s VAL 78 Cb -0.10 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 2d93 s VAL 78 CO 0.05 -0.28 0.59 -1.61 0.00 0.00 0.00 175.10 173.84 2d93 s GLU 79 N 1.97 4.33 -0.33 2.72 2.02 -0.78 -4.90 118.70 123.73 2d93 s GLU 79 Ca 0.01 0.70 -0.03 0.00 0.02 0.00 0.00 54.97 55.67 2d93 s GLU 79 Cb -0.17 -3.37 0.06 0.00 0.10 0.00 0.00 34.13 30.75 2d93 s GLU 79 CO -0.11 0.29 0.06 -0.80 0.02 0.00 0.00 175.26 174.72 2d93 s ASN 80 N 0.10 5.07 0.14 -0.19 0.01 -1.26 -0.69 114.94 118.12 2d93 s ASN 80 Ca 0.31 -1.35 0.02 0.00 -0.71 0.00 0.00 52.86 51.13 2d93 s ASN 80 Cb -0.18 -1.78 -0.04 0.00 0.41 0.00 0.00 41.25 39.67 2d93 s ASN 80 CO 0.16 -0.32 0.29 -0.76 -1.51 0.00 0.00 177.10 174.95 2d93 s LEU 81 N 1.28 4.33 0.31 0.60 1.43 -1.01 -5.04 118.68 120.57 2d93 s LEU 81 Ca -0.02 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 2d93 s LEU 81 Cb -0.20 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.03 2d93 s LEU 81 CO -0.00 0.06 0.11 -0.36 0.23 0.00 0.00 176.35 176.38 2d93 s PHE 82 N -1.73 1.69 -0.38 0.29 0.08 -1.26 -3.07 117.98 113.59 2d93 s PHE 82 Ca 0.35 -1.19 -0.43 0.00 0.12 0.00 0.00 56.93 55.78 2d93 s PHE 82 Cb -0.11 -1.02 -0.17 0.00 -0.57 0.00 0.00 43.02 41.15 2d93 s PHE 82 CO 0.28 -0.30 1.77 -0.12 -0.10 0.00 0.00 175.22 176.75 2d93 n MET 83 N -0.61 0.64 0.00 0.44 0.00 -1.21 -0.62 117.12 115.76 2d93 n MET 83 Ca -0.01 0.23 0.00 0.00 -0.00 0.00 0.00 57.70 57.92 2d93 n MET 83 Cb 0.66 -1.86 0.00 0.00 0.00 0.00 0.00 33.22 32.02 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 4.61 1.65 3.35 -5.12 0.00 -1.23 -5.02 105.19 103.43 2d93 n GLY 84 Ca 0.32 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.37 -0.72 0.05 1.61 -0.87 0.21 -3.38 114.94 111.47 2d93 s ASN 85 Ca 0.00 0.83 -0.07 0.00 -1.57 0.00 0.00 52.86 52.05 2d93 s ASN 85 Cb 0.00 -1.18 -0.01 0.00 -0.02 0.00 0.00 41.25 40.05 2d93 s ASN 85 CO 0.00 -5.15 0.13 -0.94 -2.57 0.00 0.00 177.10 168.57 2d93 s SER 86 N -3.26 0.15 -0.19 -1.22 1.04 -1.26 -3.17 113.70 105.79 2d93 s SER 86 Ca 0.69 -0.54 -0.29 0.00 0.48 0.00 0.00 55.95 56.29 2d93 s SER 86 Cb -0.13 0.26 0.13 0.00 0.10 0.00 0.00 66.02 66.38 2d93 s SER 86 CO 0.58 -0.57 1.01 0.72 0.98 0.00 0.00 173.24 175.96 2d93 s PHE 87 N -2.91 -0.38 0.00 5.02 -0.12 -0.50 -4.98 117.98 114.11 2d93 s PHE 87 Ca -0.02 0.72 0.00 0.00 -0.05 0.00 0.00 56.93 57.58 2d93 s PHE 87 Cb 0.01 0.43 0.00 0.00 -0.63 0.00 0.00 43.02 42.83 2d93 s PHE 87 CO -0.06 -0.31 0.00 0.41 -0.05 0.00 0.00 175.22 175.21 2d93 n GLY 88 N 1.03 0.49 3.55 1.99 0.00 -1.26 -0.38 105.19 110.61 2d93 n GLY 88 Ca -0.11 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 0.02 0.45 -0.61 -4.36 -1.26 -4.89 121.20 110.54 2d93 s ILE 89 Ca 0.00 -1.13 -0.03 0.00 -0.26 0.00 0.00 60.65 59.23 2d93 s ILE 89 Cb 0.00 -1.90 -0.03 0.00 1.25 0.00 0.00 42.46 41.79 2d93 s ILE 89 CO 0.00 -0.09 0.71 0.42 0.24 0.00 0.00 174.94 176.22 2d93 s THR 90 N -3.95 4.76 -2.00 8.37 -4.23 -1.26 -4.80 115.64 112.53 2d93 s THR 90 Ca 0.16 -0.10 0.10 0.00 -1.18 0.00 0.00 61.69 60.67 2d93 s THR 90 Cb -0.01 -3.79 0.30 0.00 1.34 0.00 0.00 72.50 70.35 2d93 s THR 90 CO 0.03 -0.67 1.06 -0.81 -0.54 0.00 0.00 174.62 173.69 2d93 n PRO 91 N -2.13 0.49 -3.33 3.99 -0.04 -1.26 -4.75 135.00 127.97 2d93 n PRO 91 Ca -0.01 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 2d93 n PRO 91 Cb 0.56 -1.34 -0.05 0.00 -0.04 0.00 0.00 33.50 32.63 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 4.89 0.30 0.52 -4.23 -1.26 -3.93 115.64 109.92 2d93 s THR 92 Ca 0.16 0.53 0.36 0.00 -1.18 0.00 0.00 61.69 61.56 2d93 s THR 92 Cb 0.07 -3.63 0.40 0.00 1.34 0.00 0.00 72.50 70.68 2d93 s THR 92 CO 0.12 -0.14 2.10 -0.07 -0.54 0.00 0.00 174.62 176.09 2d93 h LEU 93 N 2.34 0.00 -9.52 4.79 3.38 -1.92 -3.44 115.31 110.94 2d93 h LEU 93 Ca -0.47 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.92 2d93 h LEU 93 Cb 1.17 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.98 2d93 h LEU 93 CO 0.68 0.02 0.77 0.47 0.09 0.00 0.00 178.44 180.47 2d93 n ASP 94 N -3.14 3.04 -4.77 -0.43 8.00 -1.26 -4.94 116.55 113.05 2d93 n ASP 94 Ca -0.01 1.09 -0.34 0.00 0.71 0.00 0.00 54.79 56.25 2d93 n ASP 94 Cb 0.23 -1.43 0.03 0.00 -0.02 0.00 0.00 41.12 39.94 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 0.72 2.97 -0.05 -1.24 3.01 -1.26 -4.89 119.74 119.00 2d93 s LYS 95 Ca 0.77 1.52 -0.04 0.00 -1.01 0.00 0.00 55.97 57.21 2d93 s LYS 95 Cb -0.68 -1.96 0.02 0.00 -1.01 0.00 0.00 37.83 34.20 2d93 s LYS 95 CO 0.40 -1.14 0.12 -0.65 0.51 0.00 0.00 175.35 174.58 2d93 s GLN 96 N -3.75 0.12 -0.10 1.68 -0.21 -1.26 -5.10 119.66 111.04 2d93 s GLN 96 Ca 0.70 0.19 -0.02 0.00 0.02 0.00 0.00 55.36 56.25 2d93 s GLN 96 Cb -0.23 0.02 -0.03 0.00 1.00 0.00 0.00 33.01 33.77 2d93 s GLN 96 CO 0.36 -0.04 -0.02 0.71 -2.12 0.00 0.00 175.29 174.18 2d93 s TYR 97 N 0.26 3.08 -0.34 0.91 2.02 -1.26 -1.53 117.35 120.49 2d93 s TYR 97 Ca -0.02 0.04 -0.27 0.00 -0.37 0.00 0.00 57.07 56.45 2d93 s TYR 97 Cb -0.03 -1.82 -0.06 0.00 -0.40 0.00 0.00 41.96 39.65 2d93 s TYR 97 CO -0.01 0.31 2.31 1.41 -1.57 0.00 0.00 175.55 178.00 2d93 s MET 98 N -0.52 2.66 -0.15 -0.62 1.75 -1.08 -4.81 119.30 116.53 2d93 s MET 98 Ca 0.08 1.76 0.00 0.00 -1.25 0.00 0.00 55.69 56.29 2d93 s MET 98 Cb -0.12 -4.47 0.16 0.00 2.84 0.00 0.00 34.83 33.24 2d93 s MET 98 CO 0.02 -2.65 1.53 1.58 -0.65 0.00 0.00 175.02 174.86 2d93 n HIS 99 N 13.65 0.88 -1.40 4.11 -0.00 -1.26 -0.48 115.22 130.71 2d93 n HIS 99 Ca 0.33 -1.13 0.00 0.00 0.46 0.00 0.00 57.72 57.38 2d93 n HIS 99 Cb 0.49 -0.56 0.00 0.00 -0.12 0.00 0.00 29.99 29.80 2d93 n HIS 99 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2d93 n GLY 100 N 0.33 -1.26 3.22 1.57 0.00 -1.26 -4.46 105.19 103.33 2d93 n GLY 100 Ca 0.17 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.45 2.03 -0.10 -0.61 1.01 0.59 -1.92 121.20 119.75 2d93 s ILE 101 Ca 0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 2d93 s ILE 101 Cb 0.00 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 2d93 s ILE 101 CO 0.00 0.56 0.09 -0.69 0.00 0.00 0.00 174.94 174.90 2d93 s VAL 102 N 0.26 5.10 -0.18 2.92 1.01 -0.59 -0.37 120.40 128.55 2d93 s VAL 102 Ca -0.16 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 2d93 s VAL 102 Cb -0.17 -3.21 0.06 0.00 0.00 0.00 0.00 36.38 33.06 2d93 s VAL 102 CO 0.08 0.60 0.43 -0.13 0.00 0.00 0.00 175.10 176.08 2d93 s ARG 103 N -1.02 0.42 1.01 2.72 0.52 -0.34 -1.35 118.95 120.91 2d93 s ARG 103 Ca 0.15 0.79 -0.11 0.00 -0.52 0.00 0.00 55.73 56.04 2d93 s ARG 103 Cb -0.12 0.01 0.20 0.00 0.52 0.00 0.00 34.95 35.56 2d93 s ARG 103 CO 0.04 -0.15 1.09 0.25 0.02 0.00 0.00 175.30 176.55 2d93 n THR 104 N 4.12 0.00 -0.02 0.02 -2.24 -0.70 0.01 114.28 115.47 2d93 n THR 104 Ca -0.22 -0.16 0.02 0.00 -2.27 0.00 0.00 64.05 61.42 2d93 n THR 104 Cb 0.56 -0.99 -0.07 0.00 -2.10 0.00 0.00 70.33 67.72 2d93 n THR 104 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2d93 n LYS 105 N -4.47 0.95 -4.08 -0.78 4.76 0.72 -3.48 118.16 111.77 2d93 n LYS 105 Ca 0.09 -0.06 -0.19 0.00 -2.87 0.00 0.00 58.31 55.28 2d93 n LYS 105 Cb 0.53 -1.23 -0.07 0.00 -1.84 0.00 0.00 35.03 32.42 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 -1.97 0.00 -2.82 -0.18 0.24 -1.25 -4.72 118.33 107.63 2d93 n VAL 106 Ca -0.05 -2.24 -0.19 0.00 -2.04 0.00 0.00 64.34 59.82 2d93 n VAL 106 Cb 0.40 1.08 0.03 0.00 -1.47 0.00 0.00 33.84 33.88 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 -3.17 5.44 -1.69 -1.34 -4.77 -1.26 -4.19 116.67 105.69 2d93 s ASP 107 Ca 0.35 -0.22 0.00 0.00 -3.30 0.00 0.00 52.55 49.37 2d93 s ASP 107 Cb 0.02 -0.74 0.00 0.00 -1.09 0.00 0.00 42.92 41.11 2d93 s ASP 107 CO 0.24 -0.98 0.00 -0.67 0.70 0.00 0.00 175.17 174.47 2d93 n ASP 108 N -2.12 -5.45 -4.71 2.11 -0.08 -1.10 -4.95 116.55 100.25 2d93 n ASP 108 Ca 0.08 0.06 -0.42 0.00 -1.51 0.00 0.00 54.79 53.00 2d93 n ASP 108 Cb 0.59 -4.52 -0.03 0.00 2.34 0.00 0.00 41.12 39.50 2d93 n ASP 108 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2d93 s GLN 110 N 1.07 3.19 0.26 0.00 -0.21 -0.19 0.63 119.66 124.41 2d93 s GLN 110 Ca 0.52 -0.74 -0.18 0.00 0.02 0.00 0.00 55.36 54.98 2d93 s GLN 110 Cb -0.21 -2.81 0.01 0.00 1.00 0.00 0.00 33.01 31.00 2d93 s GLN 110 CO 0.27 0.50 0.63 -0.06 -2.12 0.00 0.00 175.29 174.52 2d93 s PHE 111 N -1.77 -0.02 0.02 0.91 0.08 0.15 -1.76 117.98 115.59 2d93 s PHE 111 Ca 0.33 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.99 2d93 s PHE 111 Cb -0.10 0.53 -0.02 0.00 -0.57 0.00 0.00 43.02 42.86 2d93 s PHE 111 CO 0.26 -1.14 -0.04 0.54 -0.10 0.00 0.00 175.22 174.75 2d93 s VAL 112 N -3.94 0.23 0.05 -0.44 0.11 -1.14 -2.07 120.40 113.20 2d93 s VAL 112 Ca 0.14 -0.69 0.09 0.00 -2.93 0.00 0.00 61.98 58.59 2d93 s VAL 112 Cb -0.04 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 2d93 s VAL 112 CO 0.07 -0.30 -0.24 0.00 -3.33 0.00 0.00 175.10 171.30 2d93 s ILE 114 N -0.87 -0.31 0.51 0.00 1.01 -0.93 -1.10 121.20 119.52 2d93 s ILE 114 Ca 0.13 0.32 -0.20 0.00 0.00 0.00 0.00 60.65 60.89 2d93 s ILE 114 Cb -0.10 -0.35 -0.09 0.00 0.01 0.00 0.00 42.46 41.92 2d93 s ILE 114 CO 0.03 0.13 0.66 0.00 0.00 0.00 0.00 174.94 175.76 2d93 n ALA 115 N 5.28 -0.87 -0.02 9.38 0.00 -1.26 -1.06 120.51 131.97 2d93 n ALA 115 Ca -0.06 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2d93 n ALA 115 Cb 0.50 -1.89 -0.08 0.00 0.00 0.00 0.00 19.45 17.98 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 0.61 0.11 -0.95 0.00 4.15 -1.83 -0.69 115.11 116.50 2d93 h GLN 116 Ca -0.44 -0.04 0.18 0.00 0.77 0.00 0.00 58.65 59.12 2d93 h GLN 116 Cb 1.39 -0.01 -0.10 0.00 0.21 0.00 0.00 27.48 28.96 2d93 h GLN 116 CO 0.50 0.39 0.55 1.96 -1.93 0.00 0.00 178.83 180.30 2d93 h GLN 117 N -0.19 0.68 0.00 1.69 1.08 -1.91 0.10 115.11 116.57 2d93 h GLN 117 Ca 0.02 -0.04 -0.19 0.00 -1.45 0.00 0.00 58.65 56.99 2d93 h GLN 117 Cb 0.34 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 2d93 h GLN 117 CO 0.00 0.45 -0.86 -0.44 -0.95 0.00 0.00 178.83 177.03 2d93 h ASP 118 N 0.70 0.16 0.40 1.46 3.32 -1.90 -2.49 116.42 118.08 2d93 h ASP 118 Ca 0.54 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.46 2d93 h ASP 118 Cb 0.84 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.34 2d93 h ASP 118 CO -0.39 0.95 0.00 0.00 -1.72 0.00 0.00 179.24 178.08 2d93 n TYR 119 N -3.62 0.00 -0.01 4.55 9.36 0.28 -1.89 117.16 125.83 2d93 n TYR 119 Ca -0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.19 2d93 n TYR 119 Cb 0.80 -0.47 0.00 0.00 -0.63 0.00 0.00 39.34 39.04 2d93 n TYR 119 CO 0.00 0.00 0.00 1.87 0.22 0.00 0.00 176.86 178.95 2d93 n TRP 120 N -1.47 0.00 -0.04 2.98 -0.00 -0.79 -4.44 117.44 113.69 2d93 n TRP 120 Ca 0.03 -0.03 0.02 0.00 -0.00 0.00 0.00 57.50 57.52 2d93 n TRP 120 Cb 0.14 -0.00 -0.15 0.00 -0.00 0.00 0.00 31.31 31.30 2d93 n TRP 120 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 177.69 180.58 2d93 n ARG 121 N -0.03 0.67 -0.05 5.87 1.85 -0.79 -3.99 116.66 120.18 2d93 n ARG 121 Ca 0.00 -0.07 -0.03 0.00 -1.00 0.00 0.00 57.85 56.75 2d93 n ARG 121 Cb 0.02 -1.56 -0.01 0.00 -1.05 0.00 0.00 32.46 29.85 2d93 n ARG 121 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 2d93 h ILE 122 N 0.00 0.00 0.16 8.89 2.04 -1.75 -3.37 117.51 123.47 2d93 h ILE 122 Ca -0.23 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 2d93 h ILE 122 Cb 1.55 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2d93 h ILE 122 CO 0.02 0.00 -0.17 -0.07 0.00 0.00 0.00 178.15 177.93 2d93 h LEU 123 N -0.79 -0.47 -8.92 1.44 4.07 -1.82 -3.44 115.31 105.37 2d93 h LEU 123 Ca 0.00 0.04 -0.18 0.00 0.08 0.00 0.00 57.88 57.82 2d93 h LEU 123 Cb 0.37 0.16 0.11 0.00 1.08 0.00 0.00 40.66 42.37 2d93 h LEU 123 CO 0.00 -0.22 -0.12 0.59 -1.08 0.00 0.00 178.44 177.61 2d93 n ASN 124 N -3.36 -3.03 -2.49 -0.43 3.02 -1.26 -4.83 115.26 102.88 2d93 n ASN 124 Ca -0.04 -0.41 -0.33 0.00 -0.03 0.00 0.00 54.58 53.77 2d93 n ASN 124 Cb 0.15 -0.74 0.04 0.00 -0.61 0.00 0.00 39.78 38.63 2d93 n ASN 124 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d93 n HIS 125 N -4.35 2.70 -2.22 3.10 1.44 -1.26 -4.89 115.22 109.73 2d93 n HIS 125 Ca 0.06 -2.51 -0.41 0.00 -2.01 0.00 0.00 57.72 52.86 2d93 n HIS 125 Cb 0.29 -1.29 -0.03 0.00 0.12 0.00 0.00 29.99 29.08 2d93 n HIS 125 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2d93 s VAL 126 N -4.22 3.12 0.00 0.61 1.01 -1.26 -4.91 120.40 114.75 2d93 s VAL 126 Ca 0.55 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.52 2d93 s VAL 126 Cb 0.43 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 33.18 2d93 s VAL 126 CO -0.17 0.18 0.00 -0.62 0.00 0.00 0.00 175.10 174.48 2d93 n GLU 127 N 2.03 2.87 0.06 2.72 1.02 -1.26 -4.66 120.64 123.42 2d93 n GLU 127 Ca 0.04 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.22 2d93 n GLU 127 Cb 0.43 -0.90 0.20 0.00 -0.02 0.00 0.00 31.44 31.15 2d93 n GLU 127 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2d93 n LYS 128 N -1.62 0.05 -3.55 3.49 2.85 -1.26 -4.62 118.16 113.50 2d93 n LYS 128 Ca 0.00 0.51 -0.14 0.00 -1.05 0.00 0.00 58.31 57.64 2d93 n LYS 128 Cb 0.33 -1.72 -0.05 0.00 -0.65 0.00 0.00 35.03 32.94 2d93 n LYS 128 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2d93 s SER 129 N -3.27 -0.50 0.00 -5.58 0.15 -1.26 -5.18 113.70 98.07 2d93 s SER 129 Ca -0.01 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.15 2d93 s SER 129 Cb 0.02 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2d93 s SER 129 CO 0.07 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.63 2d93 n GLY 130 N 0.73 3.46 0.16 9.45 0.00 -1.26 -4.87 105.19 112.86 2d93 n GLY 130 Ca -0.14 -1.61 0.01 0.00 0.00 0.00 0.00 46.02 44.28 2d93 n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d93 h PRO 131 N 0.00 0.00 -4.48 1.61 0.13 -1.96 -3.44 132.00 123.86 2d93 h PRO 131 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 2d93 h PRO 131 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2d93 h PRO 131 CO 0.00 0.49 1.30 -1.13 -0.23 0.00 0.00 178.00 178.43 2d93 n SER 132 N -3.96 0.40 -3.84 1.44 3.41 -1.26 -4.85 113.62 104.96 2d93 n SER 132 Ca -0.02 0.32 -0.30 0.00 -0.26 0.00 0.00 58.87 58.62 2d93 n SER 132 Cb 0.50 -0.75 -0.14 0.00 -0.26 0.00 0.00 64.21 63.56 2d93 n SER 132 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d93 s SER 133 N 6.38 4.10 0.00 4.04 0.01 -1.26 -5.12 113.70 121.84 2d93 s SER 133 Ca 1.07 -2.48 0.00 0.00 1.31 0.00 0.00 55.95 55.84 2d93 s SER 133 Cb -1.12 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2d93 s SER 133 CO 0.46 -0.30 0.43 0.61 0.41 0.00 0.00 173.24 174.85