#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 4.08 -0.08 1.61 1.04 -1.26 -5.12 113.70 113.98 2d93 s SER 2 Ca 0.00 -0.25 0.04 0.00 0.48 0.00 0.00 55.95 56.22 2d93 s SER 2 Cb 0.00 -1.28 -0.01 0.00 0.10 0.00 0.00 66.02 64.83 2d93 s SER 2 CO 0.00 0.25 -0.20 -0.55 0.98 0.00 0.00 173.24 173.73 2d93 s SER 3 N -0.16 3.52 -0.64 7.02 0.15 -1.26 -5.05 113.70 117.29 2d93 s SER 3 Ca -0.00 -0.40 0.04 0.00 0.70 0.00 0.00 55.95 56.28 2d93 s SER 3 Cb -0.13 -1.10 0.35 0.00 -1.71 0.00 0.00 66.02 63.42 2d93 s SER 3 CO 0.03 0.24 1.18 0.61 1.20 0.00 0.00 173.24 176.50 2d93 n GLY 4 N 3.02 5.78 3.03 9.45 0.00 -1.26 -4.99 105.19 120.21 2d93 n GLY 4 Ca -0.18 -2.74 -0.13 0.00 0.00 0.00 0.00 46.02 42.98 2d93 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d93 s SER 5 N -3.02 -0.23 0.21 1.61 0.01 -1.26 -5.13 113.70 105.89 2d93 s SER 5 Ca 0.47 0.47 -0.31 0.00 1.31 0.00 0.00 55.95 57.89 2d93 s SER 5 Cb 0.30 0.36 -0.15 0.00 0.21 0.00 0.00 66.02 66.74 2d93 s SER 5 CO -0.16 -0.16 1.19 -1.54 0.41 0.00 0.00 173.24 172.97 2d93 n SER 6 N 4.21 1.66 -3.57 2.44 3.41 -1.26 -4.95 113.62 115.56 2d93 n SER 6 Ca -0.25 1.15 -0.27 0.00 -0.26 0.00 0.00 58.87 59.23 2d93 n SER 6 Cb 0.53 -1.28 -0.10 0.00 -0.26 0.00 0.00 64.21 63.09 2d93 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d93 n GLY 7 N 1.88 3.02 0.13 5.00 0.00 -1.26 -4.93 105.19 109.02 2d93 n GLY 7 Ca 0.13 -1.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.10 2d93 n GLY 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2d93 h ASP 8 N 5.35 0.51 -0.70 1.61 3.32 -2.06 -3.33 116.42 121.11 2d93 h ASP 8 Ca 0.21 -0.81 -0.46 0.00 0.02 0.00 0.00 57.03 55.99 2d93 h ASP 8 Cb 0.84 -0.16 -0.28 0.00 0.22 0.00 0.00 39.33 39.95 2d93 h ASP 8 CO 0.53 1.26 -0.03 0.47 -1.72 0.00 0.00 179.24 179.75 2d93 n ASP 9 N -4.20 4.79 -0.16 6.45 8.00 -1.26 -4.76 116.55 125.40 2d93 n ASP 9 Ca -0.11 -3.77 -0.02 0.00 0.71 0.00 0.00 54.79 51.60 2d93 n ASP 9 Cb 0.70 -0.64 0.06 0.00 -0.02 0.00 0.00 41.12 41.22 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 1.67 -0.19 0.70 -2.24 1.82 -1.95 -1.90 116.42 114.34 2d93 h ASP 10 Ca 0.40 0.12 -0.03 0.00 -0.39 0.00 0.00 57.03 57.13 2d93 h ASP 10 Cb 1.46 0.20 0.01 0.00 0.68 0.00 0.00 39.33 41.68 2d93 h ASP 10 CO 0.89 -0.06 -0.34 0.40 -1.61 0.00 0.00 179.24 178.52 2d93 h ILE 11 N 0.13 0.00 -0.91 2.25 2.04 -1.90 -2.57 117.51 116.55 2d93 h ILE 11 Ca 0.26 -0.04 0.12 0.00 1.00 0.00 0.00 64.86 66.20 2d93 h ILE 11 Cb 0.38 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.33 2d93 h ILE 11 CO -0.41 0.00 -0.43 -0.62 0.00 0.00 0.00 178.15 176.69 2d93 n GLU 12 N -4.63 -0.29 -0.35 2.37 -0.58 -1.10 0.15 120.64 116.20 2d93 n GLU 12 Ca -0.12 1.39 0.11 0.00 -0.42 0.00 0.00 57.16 58.12 2d93 n GLU 12 Cb 0.37 -2.05 0.29 0.00 -0.57 0.00 0.00 31.44 29.47 2d93 n GLU 12 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2d93 h GLN 13 N 0.00 0.79 -0.26 3.49 4.20 -1.33 -1.05 115.11 120.95 2d93 h GLN 13 Ca 0.25 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.82 2d93 h GLN 13 Cb 0.47 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 2d93 h GLN 13 CO -0.88 0.52 -0.18 1.25 -0.67 0.00 0.00 178.83 178.87 2d93 h LEU 14 N 0.81 0.61 -0.73 1.46 5.85 0.17 -3.16 115.31 120.32 2d93 h LEU 14 Ca 0.54 -0.44 0.15 0.00 0.84 0.00 0.00 57.88 58.98 2d93 h LEU 14 Cb 0.76 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.52 2d93 h LEU 14 CO -0.35 0.91 0.23 -0.07 -0.34 0.00 0.00 178.44 178.82 2d93 h LEU 15 N 0.30 0.12 -0.55 2.25 3.38 0.77 -0.56 115.31 121.02 2d93 h LEU 15 Ca 0.05 0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.26 2d93 h LEU 15 Cb 0.71 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.52 2d93 h LEU 15 CO 0.05 0.02 0.04 -0.33 0.09 0.00 0.00 178.44 178.31 2d93 h GLU 16 N 0.34 0.16 0.81 1.13 4.39 -1.39 -1.68 114.58 118.33 2d93 h GLU 16 Ca 0.41 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.06 2d93 h GLU 16 Cb 0.66 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2d93 h GLU 16 CO -0.46 0.10 -0.39 0.35 -1.16 0.00 0.00 179.01 177.46 2d93 h PHE 17 N 0.16 -1.01 -1.00 4.33 3.57 -1.18 -2.73 116.94 119.09 2d93 h PHE 17 Ca 0.28 -0.02 0.33 0.00 3.53 0.00 0.00 57.97 62.09 2d93 h PHE 17 Cb 0.43 0.33 -0.15 0.00 2.79 0.00 0.00 35.95 39.35 2d93 h PHE 17 CO -0.30 -0.62 0.55 0.52 -2.23 0.00 0.00 178.31 176.22 2d93 h MET 18 N -1.09 0.27 -0.96 1.11 2.86 -0.99 0.73 114.93 116.86 2d93 h MET 18 Ca -0.11 -0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.68 2d93 h MET 18 Cb 0.83 -0.06 -0.09 0.00 0.06 0.00 0.00 31.60 32.34 2d93 h MET 18 CO 0.18 0.18 0.61 1.25 1.06 0.00 0.00 176.91 180.19 2d93 h HIS 19 N 0.28 0.94 -0.19 -0.22 -0.00 -0.99 -1.28 115.15 113.70 2d93 h HIS 19 Ca 0.74 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 61.14 2d93 h HIS 19 Cb 1.70 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 28.81 2d93 h HIS 19 CO -0.03 0.29 0.12 1.96 -0.00 0.00 0.00 177.93 180.27 2d93 h GLN 20 N 0.74 0.26 -6.86 5.26 4.20 0.49 -3.39 115.11 115.80 2d93 h GLN 20 Ca 0.51 -0.02 -0.53 0.00 0.06 0.00 0.00 58.65 58.68 2d93 h GLN 20 Cb 0.81 -0.05 0.07 0.00 0.30 0.00 0.00 27.48 28.61 2d93 h GLN 20 CO -0.28 0.20 0.68 -0.51 -0.67 0.00 0.00 178.83 178.26 2d93 s LEU 21 N -10.11 4.40 0.13 1.46 1.43 -0.48 -4.90 118.68 110.61 2d93 s LEU 21 Ca -0.13 2.74 -0.12 0.00 -1.03 0.00 0.00 54.13 55.58 2d93 s LEU 21 Cb 0.08 -3.65 -0.06 0.00 0.03 0.00 0.00 46.19 42.59 2d93 s LEU 21 CO 0.69 -0.62 1.45 1.55 0.23 0.00 0.00 176.35 179.66 2d93 h PRO 22 N 3.67 0.85 0.00 1.29 0.13 -1.82 0.12 132.00 136.25 2d93 h PRO 22 Ca -0.49 -0.45 -0.00 0.00 -0.87 0.00 0.00 66.00 64.19 2d93 h PRO 22 Cb 1.23 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2d93 h PRO 22 CO 0.68 1.09 -0.00 0.00 -0.23 0.00 0.00 178.00 179.54 2d93 h ALA 23 N 0.75 1.00 0.00 -0.56 0.00 -1.91 -1.16 119.26 117.38 2d93 h ALA 23 Ca 0.06 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.58 2d93 h ALA 23 Cb 0.94 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 2d93 h ALA 23 CO 0.09 0.00 -2.43 1.19 0.00 0.00 0.00 179.25 178.10 2d93 n PHE 24 N -3.09 0.04 0.17 0.00 3.72 -1.11 -4.37 117.46 112.83 2d93 n PHE 24 Ca -0.02 0.01 0.02 0.00 -0.05 0.00 0.00 57.45 57.41 2d93 n PHE 24 Cb 0.16 -1.01 0.35 0.00 -0.94 0.00 0.00 39.48 38.05 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 0.35 1.39 -1.36 4.37 0.00 -0.47 -3.00 119.26 120.53 2d93 h ALA 25 Ca -0.56 -0.31 0.45 0.00 0.00 0.00 0.00 54.91 54.48 2d93 h ALA 25 Cb 2.02 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 19.62 2d93 h ALA 25 CO -0.04 0.45 0.88 -0.97 0.00 0.00 0.00 179.25 179.57 2d93 h ASN 26 N 0.06 0.22 -1.90 0.00 -0.73 -1.42 -3.39 115.58 108.42 2d93 h ASN 26 Ca 0.01 0.14 -0.48 0.00 1.87 0.00 0.00 56.30 57.83 2d93 h ASN 26 Cb 0.61 0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.31 2d93 h ASN 26 CO 0.04 -0.19 -0.43 0.00 -0.37 0.00 0.00 177.43 176.49 2d93 s MET 27 N -5.27 2.92 0.56 6.67 0.23 -1.13 -5.11 119.30 118.16 2d93 s MET 27 Ca -0.07 -1.14 -0.14 0.00 -1.03 0.00 0.00 55.69 53.30 2d93 s MET 27 Cb 0.30 -2.62 -0.06 0.00 -1.53 0.00 0.00 34.83 30.92 2d93 s MET 27 CO 0.83 0.15 1.00 -0.08 -2.03 0.00 0.00 175.02 174.89 2d93 s THR 28 N -2.22 4.56 0.20 3.16 -1.32 -1.26 -4.88 115.64 113.88 2d93 s THR 28 Ca 0.41 1.08 -0.17 0.00 -1.21 0.00 0.00 61.69 61.79 2d93 s THR 28 Cb -0.07 -3.76 0.19 0.00 -1.51 0.00 0.00 72.50 67.35 2d93 s THR 28 CO 0.28 -0.85 1.40 0.23 -2.21 0.00 0.00 174.62 173.47 2d93 n MET 29 N -2.03 -0.23 -0.19 7.08 2.81 -1.26 -1.02 117.12 122.28 2d93 n MET 29 Ca 0.06 1.38 -0.05 0.00 -1.81 0.00 0.00 57.70 57.29 2d93 n MET 29 Cb 0.54 -2.05 -0.05 0.00 -0.71 0.00 0.00 33.22 30.95 2d93 n MET 29 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2d93 n SER 30 N -5.30 -0.48 -0.17 7.83 7.64 -1.26 -0.07 113.62 121.80 2d93 n SER 30 Ca 0.08 1.14 -0.06 0.00 1.01 0.00 0.00 58.87 61.04 2d93 n SER 30 Cb 0.35 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2d93 n SER 30 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2d93 h VAL 31 N 0.00 0.20 0.00 0.44 2.07 -1.42 -1.55 116.25 115.99 2d93 h VAL 31 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 2d93 h VAL 31 Cb 0.19 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2d93 h VAL 31 CO -0.43 0.00 0.00 0.54 0.02 0.00 0.00 177.57 177.70 2d93 n ARG 32 N -5.43 0.00 -0.32 1.57 1.74 0.90 -0.88 116.66 114.25 2d93 n ARG 32 Ca 0.03 0.68 0.12 0.00 -0.77 0.00 0.00 57.85 57.91 2d93 n ARG 32 Cb 0.35 -1.39 0.24 0.00 -1.02 0.00 0.00 32.46 30.64 2d93 n ARG 32 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2d93 n ARG 33 N -2.18 -0.08 -0.25 5.56 0.00 -0.52 0.16 116.66 119.35 2d93 n ARG 33 Ca 0.00 1.39 -0.02 0.00 -0.00 0.00 0.00 57.85 59.22 2d93 n ARG 33 Cb 0.00 -2.18 0.09 0.00 0.00 0.00 0.00 32.46 30.38 2d93 n ARG 33 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2d93 h GLU 34 N 0.00 0.76 -0.60 -0.14 5.08 -0.50 -2.25 114.58 116.93 2d93 h GLU 34 Ca 0.53 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.83 2d93 h GLU 34 Cb 1.03 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 2d93 h GLU 34 CO -0.88 0.50 0.33 -0.07 -1.00 0.00 0.00 179.01 177.89 2d93 h LEU 35 N 0.78 0.75 -1.95 1.33 3.38 0.35 -1.54 115.31 118.41 2d93 h LEU 35 Ca 0.30 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2d93 h LEU 35 Cb 0.12 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2d93 h LEU 35 CO -0.15 0.63 0.25 0.00 0.09 0.00 0.00 178.44 179.26 2d93 h SER 37 N 0.00 0.32 0.00 0.00 4.64 -1.18 -3.22 113.55 114.10 2d93 h SER 37 Ca 0.00 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2d93 h SER 37 Cb 0.51 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2d93 h SER 37 CO 0.00 0.83 -0.23 1.33 -0.87 0.00 0.00 176.83 177.89 2d93 n VAL 38 N -3.90 1.93 -2.83 0.95 0.24 0.66 -5.03 118.33 110.36 2d93 n VAL 38 Ca -0.02 -2.58 -0.41 0.00 -2.04 0.00 0.00 64.34 59.29 2d93 n VAL 38 Cb 0.61 -0.20 -0.04 0.00 -1.47 0.00 0.00 33.84 32.74 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 -2.89 4.45 0.11 7.34 -1.94 -0.05 -4.47 119.30 121.85 2d93 s MET 39 Ca 0.34 1.19 -0.09 0.00 -1.71 0.00 0.00 55.69 55.41 2d93 s MET 39 Cb 0.31 -3.49 -0.06 0.00 2.01 0.00 0.00 34.83 33.60 2d93 s MET 39 CO -0.01 -0.12 0.43 0.42 -0.01 0.00 0.00 175.02 175.72 2d93 s ILE 40 N 1.36 5.07 -0.24 2.53 1.01 -0.21 -4.94 121.20 125.78 2d93 s ILE 40 Ca 0.45 0.43 -0.08 0.00 0.00 0.00 0.00 60.65 61.45 2d93 s ILE 40 Cb -0.19 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 2d93 s ILE 40 CO 0.20 0.21 0.08 -0.36 0.00 0.00 0.00 174.94 175.07 2d93 s PHE 41 N -1.49 3.13 0.02 3.97 0.08 -1.26 -3.24 117.98 119.19 2d93 s PHE 41 Ca 0.36 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 57.15 2d93 s PHE 41 Cb -0.13 -2.21 -0.02 0.00 -0.57 0.00 0.00 43.02 40.08 2d93 s PHE 41 CO 0.19 -0.23 -0.04 -1.21 -0.10 0.00 0.00 175.22 173.84 2d93 s GLU 42 N 1.35 0.34 -0.15 0.44 0.41 -1.00 -5.04 118.70 115.05 2d93 s GLU 42 Ca 0.05 -0.63 -0.07 0.00 -0.41 0.00 0.00 54.97 53.92 2d93 s GLU 42 Cb -0.15 0.05 0.06 0.00 -1.78 0.00 0.00 34.13 32.32 2d93 s GLU 42 CO 0.04 -0.04 0.34 0.08 -0.49 0.00 0.00 175.26 175.19 2d93 s VAL 43 N -1.44 -0.19 -0.22 2.63 1.01 -1.26 -2.05 120.40 118.87 2d93 s VAL 43 Ca -0.15 0.15 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 2d93 s VAL 43 Cb -0.10 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2d93 s VAL 43 CO -0.01 0.06 0.32 -0.69 0.00 0.00 0.00 175.10 174.79 2d93 s VAL 44 N 1.71 5.24 -0.16 2.92 1.01 0.65 -4.95 120.40 126.83 2d93 s VAL 44 Ca -0.06 0.52 -0.12 0.00 0.00 0.00 0.00 61.98 62.32 2d93 s VAL 44 Cb -0.10 -3.65 -0.23 0.00 0.00 0.00 0.00 36.38 32.39 2d93 s VAL 44 CO -0.11 0.26 0.29 -0.62 0.00 0.00 0.00 175.10 174.93 2d93 n GLU 45 N 4.57 0.69 -3.00 2.72 1.02 -1.26 -0.87 120.64 124.51 2d93 n GLU 45 Ca -0.10 0.37 -0.41 0.00 -0.02 0.00 0.00 57.16 57.00 2d93 n GLU 45 Cb 0.51 -1.72 -0.05 0.00 -0.02 0.00 0.00 31.44 30.16 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 -2.49 4.16 1.16 3.49 -2.07 -1.26 -3.88 119.66 118.76 2d93 s GLN 46 Ca -0.25 0.75 -0.16 0.00 -1.82 0.00 0.00 55.36 53.88 2d93 s GLN 46 Cb 0.07 -3.64 0.27 0.00 -1.09 0.00 0.00 33.01 28.61 2d93 s GLN 46 CO 0.70 -0.45 1.06 0.00 -1.32 0.00 0.00 175.29 175.28 2d93 s ALA 47 N 2.61 0.25 -0.30 2.60 0.00 -1.26 -3.42 121.76 122.24 2d93 s ALA 47 Ca 0.31 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2d93 s ALA 47 Cb -0.15 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2d93 s ALA 47 CO 0.08 -3.55 0.00 0.41 0.00 0.00 0.00 175.76 172.70 2d93 n GLY 48 N -0.28 0.28 3.76 0.00 0.00 -1.11 -4.93 105.19 102.90 2d93 n GLY 48 Ca 0.08 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.26 3.39 0.01 4.61 0.00 -1.22 -4.55 121.76 122.74 2d93 s ALA 49 Ca 0.00 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 2d93 s ALA 49 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 2d93 s ALA 49 CO 0.00 -0.18 1.08 0.42 0.00 0.00 0.00 175.76 177.07 2d93 s ILE 50 N -1.19 4.51 -0.20 0.00 1.09 -1.26 -0.57 121.20 123.59 2d93 s ILE 50 Ca 0.45 1.80 0.02 0.00 -1.10 0.00 0.00 60.65 61.83 2d93 s ILE 50 Cb -0.32 -4.15 -0.21 0.00 -1.06 0.00 0.00 42.46 36.72 2d93 s ILE 50 CO 0.41 0.12 0.05 -0.38 -0.10 0.00 0.00 174.94 175.04 2d93 n ILE 51 N 3.99 1.57 -3.69 2.92 2.08 0.73 -4.96 119.36 122.00 2d93 n ILE 51 Ca 0.08 -0.65 -0.10 0.00 0.56 0.00 0.00 62.75 62.63 2d93 n ILE 51 Cb 0.49 -1.37 -0.11 0.00 -0.75 0.00 0.00 39.64 37.90 2d93 n ILE 51 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2d93 s LEU 52 N -6.52 -0.15 0.29 1.39 1.43 -1.23 -4.97 118.68 108.92 2d93 s LEU 52 Ca -0.26 0.88 -0.07 0.00 -1.03 0.00 0.00 54.13 53.65 2d93 s LEU 52 Cb 0.08 1.30 -0.06 0.00 0.03 0.00 0.00 46.19 47.54 2d93 s LEU 52 CO 0.69 -0.20 0.58 -1.61 0.23 0.00 0.00 176.35 176.05 2d93 s GLU 53 N 1.58 3.70 0.24 1.70 0.41 -1.26 -0.59 118.70 124.48 2d93 s GLU 53 Ca -0.08 0.15 -0.30 0.00 -0.41 0.00 0.00 54.97 54.33 2d93 s GLU 53 Cb -0.09 -2.61 -0.10 0.00 -1.78 0.00 0.00 34.13 29.55 2d93 s GLU 53 CO -0.12 0.20 1.42 0.34 -0.49 0.00 0.00 175.26 176.61 2d93 s ASP 54 N -2.95 6.69 -0.01 -0.19 -1.08 -0.12 -2.96 116.67 116.05 2d93 s ASP 54 Ca 0.46 2.63 -0.00 0.00 -0.52 0.00 0.00 52.55 55.12 2d93 s ASP 54 Cb -0.11 -2.62 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 2d93 s ASP 54 CO 0.28 -0.67 0.00 0.61 0.52 0.00 0.00 175.17 175.90 2d93 n GLY 55 N 2.20 0.47 3.24 2.66 0.00 0.34 -4.94 105.19 109.16 2d93 n GLY 55 Ca 0.07 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 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 -4.19 2.78 -0.61 1.61 0.74 -1.15 -4.88 119.66 113.96 2d93 s GLN 56 Ca 0.00 -1.04 -0.28 0.00 0.05 0.00 0.00 55.36 54.09 2d93 s GLN 56 Cb -0.00 -3.20 -0.12 0.00 1.10 0.00 0.00 33.01 30.79 2d93 s GLN 56 CO 0.00 -0.50 2.48 -1.91 -0.55 0.00 0.00 175.29 174.81 2d93 n GLU 57 N 4.73 0.78 -2.47 1.67 2.13 -1.26 -2.73 120.64 123.49 2d93 n GLU 57 Ca -0.15 0.03 -0.42 0.00 0.66 0.00 0.00 57.16 57.29 2d93 n GLU 57 Cb 0.46 -2.82 -0.03 0.00 0.27 0.00 0.00 31.44 29.32 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 10.84 4.38 -0.02 4.31 1.43 -1.08 -4.90 118.68 133.63 2d93 s LEU 58 Ca 1.10 1.97 0.03 0.00 -1.03 0.00 0.00 54.13 56.20 2d93 s LEU 58 Cb -0.54 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.15 2d93 s LEU 58 CO 0.35 -0.41 0.85 -0.90 0.23 0.00 0.00 176.35 176.46 2d93 n ASP 59 N 3.74 0.85 -3.78 2.29 5.75 -1.26 -4.40 116.55 119.74 2d93 n ASP 59 Ca 0.08 -1.83 -0.13 0.00 -0.01 0.00 0.00 54.79 52.90 2d93 n ASP 59 Cb 0.47 -0.12 -0.11 0.00 -1.03 0.00 0.00 41.12 40.32 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 -0.96 -0.29 0.09 -1.12 0.01 -1.26 -1.60 113.70 108.57 2d93 s SER 60 Ca 0.05 0.55 -0.24 0.00 1.31 0.00 0.00 55.95 57.63 2d93 s SER 60 Cb 0.05 0.56 -0.06 0.00 0.21 0.00 0.00 66.02 66.77 2d93 s SER 60 CO 0.00 -0.10 0.72 0.86 0.41 0.00 0.00 173.24 175.14 2d93 s TRP 61 N 0.19 3.80 0.10 2.43 -0.00 -0.46 -3.67 118.94 121.34 2d93 s TRP 61 Ca -0.00 1.47 0.07 0.00 -0.00 0.00 0.00 56.10 57.64 2d93 s TRP 61 Cb -0.02 -2.73 -0.04 0.00 -0.00 0.00 0.00 33.47 30.68 2d93 s TRP 61 CO -0.00 0.41 -0.12 0.71 -0.00 0.00 0.00 176.95 177.95 2d93 s TYR 62 N -0.60 2.69 -0.17 5.86 1.51 0.26 -2.10 117.35 124.79 2d93 s TYR 62 Ca 0.35 -0.18 -0.05 0.00 -1.01 0.00 0.00 57.07 56.19 2d93 s TYR 62 Cb -0.21 -1.42 0.08 0.00 -0.11 0.00 0.00 41.96 40.31 2d93 s TYR 62 CO 0.23 0.41 0.29 0.08 -1.11 0.00 0.00 175.55 175.45 2d93 s VAL 63 N -1.19 -0.45 -0.12 0.71 1.01 -1.18 -1.04 120.40 118.13 2d93 s VAL 63 Ca 0.20 0.13 -0.32 0.00 0.00 0.00 0.00 61.98 62.00 2d93 s VAL 63 Cb -0.11 -0.57 -0.09 0.00 0.00 0.00 0.00 36.38 35.60 2d93 s VAL 63 CO 0.13 0.01 2.04 -0.38 0.00 0.00 0.00 175.10 176.90 2d93 n ILE 64 N 5.35 0.52 -0.06 2.22 5.41 -1.20 -3.30 119.36 128.30 2d93 n ILE 64 Ca -0.06 -0.23 -0.06 0.00 1.00 0.00 0.00 62.75 63.40 2d93 n ILE 64 Cb 0.50 -2.16 -0.15 0.00 -0.71 0.00 0.00 39.64 37.12 2d93 n ILE 64 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2d93 n LEU 65 N 8.66 0.25 -3.60 1.39 4.77 -0.35 -3.13 117.00 124.99 2d93 n LEU 65 Ca 0.26 0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 56.24 2d93 n LEU 65 Cb 0.36 0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.72 2d93 n LEU 65 CO 0.70 0.38 0.67 0.21 -1.33 0.00 0.00 177.39 178.03 2d93 s ASN 66 N -5.51 -0.49 0.00 -1.43 2.47 -1.10 -4.87 114.94 104.01 2d93 s ASN 66 Ca -0.08 0.75 0.00 0.00 0.42 0.00 0.00 52.86 53.95 2d93 s ASN 66 Cb 0.08 0.70 0.00 0.00 -1.45 0.00 0.00 41.25 40.58 2d93 s ASN 66 CO 0.84 -0.30 0.00 0.61 -3.72 0.00 0.00 177.10 174.53 2d93 n GLY 67 N 1.56 -1.51 2.93 1.21 0.00 -1.26 -2.21 105.19 105.92 2d93 n GLY 67 Ca -0.13 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 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 0.00 -0.08 2.61 2.01 -1.26 -3.55 115.64 115.37 2d93 s THR 68 Ca 0.00 -0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.01 2d93 s THR 68 Cb 0.00 -0.09 0.00 0.00 0.01 0.00 0.00 72.50 72.42 2d93 s THR 68 CO 0.00 -0.02 -0.20 0.68 -0.69 0.00 0.00 174.62 174.39 2d93 s VAL 69 N -0.02 1.73 -0.17 3.82 -7.23 -1.22 0.36 120.40 117.67 2d93 s VAL 69 Ca -0.01 -0.85 -0.07 0.00 -1.81 0.00 0.00 61.98 59.25 2d93 s VAL 69 Cb -0.01 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 2d93 s VAL 69 CO 0.00 0.49 0.05 -0.70 -0.31 0.00 0.00 175.10 174.63 2d93 s GLU 70 N 0.30 3.84 -0.02 4.82 2.12 0.13 -2.92 118.70 126.97 2d93 s GLU 70 Ca -0.13 -0.35 0.01 0.00 0.36 0.00 0.00 54.97 54.86 2d93 s GLU 70 Cb -0.16 -3.15 -0.03 0.00 0.26 0.00 0.00 34.13 31.05 2d93 s GLU 70 CO 0.06 0.34 -0.01 0.42 -0.54 0.00 0.00 175.26 175.53 2d93 s ILE 71 N 0.17 4.09 -0.00 -3.70 1.01 -1.03 -0.38 121.20 121.35 2d93 s ILE 71 Ca 0.04 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.19 2d93 s ILE 71 Cb -0.12 -2.79 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 2d93 s ILE 71 CO 0.01 0.44 -0.14 -0.55 0.00 0.00 0.00 174.94 174.70 2d93 s SER 72 N -1.35 1.60 0.10 3.58 0.15 0.61 -1.65 113.70 116.74 2d93 s SER 72 Ca 0.17 -0.27 0.07 0.00 0.70 0.00 0.00 55.95 56.63 2d93 s SER 72 Cb -0.11 -0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 63.99 2d93 s SER 72 CO 0.08 0.15 -0.11 -1.00 1.20 0.00 0.00 173.24 173.56 2d93 s HIS 73 N -0.38 2.72 -0.62 3.44 3.76 0.13 -0.62 115.29 123.72 2d93 s HIS 73 Ca 0.05 -0.17 0.21 0.00 -0.15 0.00 0.00 55.06 55.00 2d93 s HIS 73 Cb -0.05 -1.43 0.88 0.00 1.11 0.00 0.00 32.58 33.09 2d93 s HIS 73 CO -0.00 0.42 1.64 -0.35 -0.85 0.00 0.00 174.74 175.60 2d93 n PRO 74 N 0.72 0.14 0.09 8.40 -0.04 -1.26 -2.84 135.00 140.21 2d93 n PRO 74 Ca -0.14 0.38 -0.23 0.00 -0.04 0.00 0.00 63.50 63.47 2d93 n PRO 74 Cb 0.52 -1.77 -0.15 0.00 -0.04 0.00 0.00 33.50 32.06 2d93 n PRO 74 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2d93 h ASP 75 N 0.00 0.65 0.00 3.54 3.32 -1.95 -3.48 116.42 118.50 2d93 h ASP 75 Ca 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.13 2d93 h ASP 75 Cb 0.33 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2d93 h ASP 75 CO 0.00 1.63 0.00 0.61 -1.72 0.00 0.00 179.24 179.76 2d93 n GLY 76 N 1.74 0.20 3.27 2.75 0.00 -1.13 -5.16 105.19 106.85 2d93 n GLY 76 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 1.15 -0.22 1.61 2.47 -1.25 -4.99 119.74 118.51 2d93 s LYS 77 Ca 0.00 -1.09 -0.03 0.00 -1.56 0.00 0.00 55.97 53.29 2d93 s LYS 77 Cb 0.00 -1.36 0.07 0.00 -1.46 0.00 0.00 37.83 35.08 2d93 s LYS 77 CO 0.00 0.32 0.08 0.08 0.16 0.00 0.00 175.35 175.99 2d93 s VAL 78 N -1.08 0.27 0.77 4.02 1.01 -1.26 0.18 120.40 124.31 2d93 s VAL 78 Ca 0.06 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 2d93 s VAL 78 Cb -0.10 -0.96 0.05 0.00 0.00 0.00 0.00 36.38 35.37 2d93 s VAL 78 CO 0.03 -0.38 1.10 -1.61 0.00 0.00 0.00 175.10 174.25 2d93 s GLU 79 N 1.96 2.35 -0.11 2.72 0.41 -0.66 -4.89 118.70 120.48 2d93 s GLU 79 Ca 0.03 0.52 -0.03 0.00 -0.41 0.00 0.00 54.97 55.08 2d93 s GLU 79 Cb -0.17 -1.96 0.04 0.00 -1.78 0.00 0.00 34.13 30.27 2d93 s GLU 79 CO -0.16 -1.41 0.06 0.54 -0.49 0.00 0.00 175.26 173.81 2d93 s ASN 80 N -4.13 1.85 0.17 -0.19 2.20 -1.26 -2.47 114.94 111.11 2d93 s ASN 80 Ca 0.60 -0.30 0.08 0.00 -0.94 0.00 0.00 52.86 52.30 2d93 s ASN 80 Cb -0.13 -0.27 -0.04 0.00 -2.00 0.00 0.00 41.25 38.81 2d93 s ASN 80 CO 0.53 -0.29 -0.07 -0.76 -2.94 0.00 0.00 177.10 173.58 2d93 s LEU 81 N 2.10 3.08 0.24 3.54 1.43 -1.15 -5.07 118.68 122.85 2d93 s LEU 81 Ca 0.03 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 2d93 s LEU 81 Cb -0.14 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2d93 s LEU 81 CO -0.06 0.10 0.13 -0.36 0.23 0.00 0.00 176.35 176.40 2d93 s PHE 82 N -1.69 1.39 -0.44 0.29 0.08 -1.26 -3.39 117.98 112.95 2d93 s PHE 82 Ca 0.26 -1.33 -0.43 0.00 0.12 0.00 0.00 56.93 55.54 2d93 s PHE 82 Cb -0.09 -0.73 -0.18 0.00 -0.57 0.00 0.00 43.02 41.45 2d93 s PHE 82 CO 0.16 -0.54 1.91 -0.12 -0.10 0.00 0.00 175.22 176.53 2d93 n MET 83 N -0.41 0.33 0.00 0.44 0.00 -1.23 -0.89 117.12 115.36 2d93 n MET 83 Ca 0.02 0.11 0.00 0.00 -0.00 0.00 0.00 57.70 57.82 2d93 n MET 83 Cb 0.66 -1.72 0.00 0.00 0.00 0.00 0.00 33.22 32.15 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 5.70 2.00 3.38 -5.12 0.00 -1.18 -5.07 105.19 104.89 2d93 n GLY 84 Ca 0.41 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.41 -0.24 -0.07 1.61 -0.87 -0.07 -4.13 114.94 110.77 2d93 s ASN 85 Ca 0.00 1.14 -0.05 0.00 -1.57 0.00 0.00 52.86 52.37 2d93 s ASN 85 Cb 0.00 -1.70 0.02 0.00 -0.02 0.00 0.00 41.25 39.55 2d93 s ASN 85 CO 0.00 -4.90 0.17 -0.94 -2.57 0.00 0.00 177.10 168.86 2d93 s SER 86 N -2.85 -0.18 0.12 -1.22 1.04 -1.26 -3.26 113.70 106.09 2d93 s SER 86 Ca 0.69 0.35 -0.08 0.00 0.48 0.00 0.00 55.95 57.39 2d93 s SER 86 Cb -0.19 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 2d93 s SER 86 CO 0.61 -0.08 0.21 0.72 0.98 0.00 0.00 173.24 175.69 2d93 s PHE 87 N 0.29 0.33 0.00 5.02 -0.71 -0.21 -5.00 117.98 117.70 2d93 s PHE 87 Ca -0.02 -0.73 0.00 0.00 -1.04 0.00 0.00 56.93 55.15 2d93 s PHE 87 Cb -0.03 -0.10 0.00 0.00 -1.21 0.00 0.00 43.02 41.68 2d93 s PHE 87 CO -0.01 -0.61 0.00 0.41 -1.34 0.00 0.00 175.22 173.67 2d93 n GLY 88 N -0.12 0.56 3.79 1.99 0.00 -1.26 0.91 105.19 111.06 2d93 n GLY 88 Ca -0.11 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 44.76 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 2.05 0.31 -0.61 -4.36 -1.24 -4.93 121.20 112.42 2d93 s ILE 89 Ca 0.00 -1.66 -0.02 0.00 -0.26 0.00 0.00 60.65 58.71 2d93 s ILE 89 Cb 0.00 -2.71 -0.04 0.00 1.25 0.00 0.00 42.46 40.96 2d93 s ILE 89 CO 0.00 0.00 0.54 0.42 0.24 0.00 0.00 174.94 176.14 2d93 s THR 90 N -2.66 5.07 -2.00 8.37 -4.23 -1.26 -4.79 115.64 114.14 2d93 s THR 90 Ca 0.36 -0.18 0.11 0.00 -1.18 0.00 0.00 61.69 60.80 2d93 s THR 90 Cb 0.02 -3.79 0.31 0.00 1.34 0.00 0.00 72.50 70.38 2d93 s THR 90 CO 0.20 -0.42 1.09 -0.81 -0.54 0.00 0.00 174.62 174.15 2d93 n PRO 91 N -1.28 0.49 -3.71 3.99 -0.04 -1.26 -4.70 135.00 128.48 2d93 n PRO 91 Ca -0.03 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.06 2d93 n PRO 91 Cb 0.55 -1.35 -0.07 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 5.37 0.48 0.52 -4.23 -1.26 -4.19 115.64 110.34 2d93 s THR 92 Ca 0.16 0.37 0.38 0.00 -1.18 0.00 0.00 61.69 61.43 2d93 s THR 92 Cb 0.08 -3.51 0.58 0.00 1.34 0.00 0.00 72.50 70.99 2d93 s THR 92 CO 0.13 0.52 1.58 -0.07 -0.54 0.00 0.00 174.62 176.23 2d93 h LEU 93 N 5.73 0.13 -9.33 4.79 3.38 -1.92 -3.41 115.31 114.69 2d93 h LEU 93 Ca -0.48 0.11 -0.60 0.00 0.09 0.00 0.00 57.88 57.00 2d93 h LEU 93 Cb 1.19 0.11 0.15 0.00 0.09 0.00 0.00 40.66 42.21 2d93 h LEU 93 CO 0.67 -0.18 -0.48 0.47 0.09 0.00 0.00 178.44 179.02 2d93 n ASP 94 N -4.48 -1.19 -4.86 -0.43 8.00 -1.26 -4.98 116.55 107.35 2d93 n ASP 94 Ca 0.42 0.85 -0.25 0.00 0.71 0.00 0.00 54.79 56.52 2d93 n ASP 94 Cb 1.72 -1.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.68 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 -1.62 3.12 0.26 -1.24 3.01 -1.26 -4.78 119.74 117.23 2d93 s LYS 95 Ca 0.64 -0.81 0.02 0.00 -1.01 0.00 0.00 55.97 54.81 2d93 s LYS 95 Cb -0.56 -2.75 -0.04 0.00 -1.01 0.00 0.00 37.83 33.47 2d93 s LYS 95 CO 0.58 0.48 0.17 -0.65 0.51 0.00 0.00 175.35 176.43 2d93 s GLN 96 N -3.35 1.45 -0.05 1.68 1.11 -1.26 -5.09 119.66 114.14 2d93 s GLN 96 Ca 0.33 -1.80 0.02 0.00 0.01 0.00 0.00 55.36 53.92 2d93 s GLN 96 Cb -0.10 0.13 0.01 0.00 -1.01 0.00 0.00 33.01 32.04 2d93 s GLN 96 CO 0.26 -0.45 -0.10 0.71 0.01 0.00 0.00 175.29 175.71 2d93 s TYR 97 N -3.82 1.20 -0.59 0.91 2.02 -1.26 -2.65 117.35 113.16 2d93 s TYR 97 Ca 0.38 -0.39 -0.32 0.00 -0.37 0.00 0.00 57.07 56.37 2d93 s TYR 97 Cb 0.06 -0.90 -0.14 0.00 -0.40 0.00 0.00 41.96 40.58 2d93 s TYR 97 CO 0.17 -0.21 2.40 -0.12 -1.57 0.00 0.00 175.55 176.22 2d93 n MET 98 N 3.71 0.67 -0.64 -0.62 1.56 -1.10 -4.77 117.12 115.92 2d93 n MET 98 Ca -0.22 0.10 -0.05 0.00 -0.27 0.00 0.00 57.70 57.26 2d93 n MET 98 Cb 0.52 -2.37 -0.00 0.00 2.15 0.00 0.00 33.22 33.52 2d93 n MET 98 CO 0.00 0.00 0.00 1.58 -0.73 0.00 0.00 175.97 176.82 2d93 n HIS 99 N 11.53 0.38 -3.77 1.12 -0.00 -1.26 -0.50 115.22 122.71 2d93 n HIS 99 Ca 0.49 -1.27 0.00 0.00 0.46 0.00 0.00 57.72 57.39 2d93 n HIS 99 Cb 0.24 -0.70 0.00 0.00 -0.12 0.00 0.00 29.99 29.41 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 1.30 -1.11 3.14 1.57 0.00 -1.26 -4.73 105.19 104.09 2d93 n GLY 100 Ca 0.11 -1.09 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.00 1.53 -0.11 -0.61 1.01 0.21 -0.95 121.20 119.28 2d93 s ILE 101 Ca 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 2d93 s ILE 101 Cb 0.00 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 2d93 s ILE 101 CO 0.00 0.44 -0.02 -0.69 0.00 0.00 0.00 174.94 174.67 2d93 s VAL 102 N 0.21 4.13 -0.05 2.92 1.01 0.24 -0.28 120.40 128.58 2d93 s VAL 102 Ca -0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2d93 s VAL 102 Cb -0.14 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.52 2d93 s VAL 102 CO 0.04 0.56 0.11 -0.13 0.00 0.00 0.00 175.10 175.68 2d93 s ARG 103 N -0.41 0.06 0.96 2.72 0.52 0.48 -0.20 118.95 123.09 2d93 s ARG 103 Ca 0.07 0.30 -0.11 0.00 -0.52 0.00 0.00 55.73 55.47 2d93 s ARG 103 Cb -0.12 -0.18 0.14 0.00 0.52 0.00 0.00 34.95 35.31 2d93 s ARG 103 CO 0.02 -0.15 0.90 0.25 0.02 0.00 0.00 175.30 176.34 2d93 n THR 104 N 4.09 0.00 -0.03 0.02 -2.24 0.27 0.20 114.28 116.60 2d93 n THR 104 Ca -0.26 -0.11 -0.01 0.00 -2.27 0.00 0.00 64.05 61.41 2d93 n THR 104 Cb 0.52 -0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 67.80 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 -3.62 1.77 -4.32 -0.78 4.76 0.16 -2.76 118.16 113.37 2d93 n LYS 105 Ca 0.09 -0.03 -0.19 0.00 -2.87 0.00 0.00 58.31 55.31 2d93 n LYS 105 Cb 0.53 -1.20 -0.09 0.00 -1.84 0.00 0.00 35.03 32.43 2d93 n LYS 105 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2d93 s VAL 106 N -2.35 0.16 0.59 -0.18 -7.23 -1.24 -4.65 120.40 105.51 2d93 s VAL 106 Ca -0.04 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.16 2d93 s VAL 106 Cb 0.04 -2.48 0.07 0.00 0.56 0.00 0.00 36.38 34.57 2d93 s VAL 106 CO 0.34 0.00 0.82 1.51 -0.31 0.00 0.00 175.10 177.46 2d93 s ASP 107 N -3.39 5.01 -1.71 4.85 1.47 -1.26 -4.30 116.67 117.33 2d93 s ASP 107 Ca 0.37 -0.28 0.00 0.00 1.18 0.00 0.00 52.55 53.82 2d93 s ASP 107 Cb 0.03 -0.42 0.00 0.00 -0.34 0.00 0.00 42.92 42.19 2d93 s ASP 107 CO 0.22 -1.35 0.00 0.47 0.68 0.00 0.00 175.17 175.18 2d93 n ASP 108 N -2.43 -5.47 -4.72 2.11 9.92 -0.05 -4.93 116.55 110.99 2d93 n ASP 108 Ca 0.11 0.10 -0.42 0.00 -0.53 0.00 0.00 54.79 54.05 2d93 n ASP 108 Cb 0.60 -4.61 -0.03 0.00 -0.64 0.00 0.00 41.12 36.44 2d93 n ASP 108 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2d93 s GLN 110 N 0.74 3.22 0.05 0.00 -0.21 -0.94 -0.25 119.66 122.27 2d93 s GLN 110 Ca 0.54 -0.28 -0.09 0.00 0.02 0.00 0.00 55.36 55.55 2d93 s GLN 110 Cb -0.26 -3.00 -0.00 0.00 1.00 0.00 0.00 33.01 30.75 2d93 s GLN 110 CO 0.30 0.73 0.18 -0.06 -2.12 0.00 0.00 175.29 174.32 2d93 s PHE 111 N -0.99 0.10 0.10 0.91 0.08 -0.87 -1.21 117.98 116.10 2d93 s PHE 111 Ca 0.15 -0.38 0.08 0.00 0.12 0.00 0.00 56.93 56.90 2d93 s PHE 111 Cb -0.12 -0.06 -0.03 0.00 -0.57 0.00 0.00 43.02 42.24 2d93 s PHE 111 CO 0.05 -0.44 -0.20 0.54 -0.10 0.00 0.00 175.22 175.06 2d93 s VAL 112 N -2.87 1.64 -0.02 -0.44 0.11 -1.21 -2.37 120.40 115.24 2d93 s VAL 112 Ca -0.03 -1.50 0.04 0.00 -2.93 0.00 0.00 61.98 57.56 2d93 s VAL 112 Cb 0.00 -1.50 -0.01 0.00 -1.53 0.00 0.00 36.38 33.35 2d93 s VAL 112 CO -0.06 -0.07 -0.14 0.00 -3.33 0.00 0.00 175.10 171.50 2d93 s ILE 114 N -0.11 0.39 0.48 0.00 1.01 -0.89 -1.04 121.20 121.03 2d93 s ILE 114 Ca 0.01 0.11 -0.20 0.00 0.00 0.00 0.00 60.65 60.57 2d93 s ILE 114 Cb -0.08 -0.54 -0.12 0.00 0.01 0.00 0.00 42.46 41.72 2d93 s ILE 114 CO 0.01 0.26 0.40 0.00 0.00 0.00 0.00 174.94 175.60 2d93 n ALA 115 N 5.13 -1.76 0.38 9.38 0.00 -1.26 -1.35 120.51 131.02 2d93 n ALA 115 Ca -0.07 0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 2d93 n ALA 115 Cb 0.50 -1.71 -0.09 0.00 0.00 0.00 0.00 19.45 18.15 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 0.47 -0.95 -0.35 0.00 4.15 -1.68 -0.19 115.11 116.57 2d93 h GLN 116 Ca -0.42 0.06 0.04 0.00 0.77 0.00 0.00 58.65 59.11 2d93 h GLN 116 Cb 1.41 0.21 -0.07 0.00 0.21 0.00 0.00 27.48 29.24 2d93 h GLN 116 CO 0.48 -0.63 -0.51 1.96 -1.93 0.00 0.00 178.83 178.20 2d93 h GLN 117 N -0.98 -0.37 -0.81 1.69 1.08 -1.90 0.19 115.11 114.01 2d93 h GLN 117 Ca -0.09 0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.27 2d93 h GLN 117 Cb 0.78 0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 28.23 2d93 h GLN 117 CO 0.12 -0.25 0.53 -0.44 -0.95 0.00 0.00 178.83 177.84 2d93 h ASP 118 N -0.38 0.55 0.87 1.46 3.32 -1.92 0.42 116.42 120.74 2d93 h ASP 118 Ca 0.06 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2d93 h ASP 118 Cb 0.55 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2d93 h ASP 118 CO -0.53 0.29 0.00 0.22 -1.72 0.00 0.00 179.24 177.50 2d93 h TYR 119 N 0.59 0.00 -0.03 4.55 3.20 0.12 -2.42 116.97 122.98 2d93 h TYR 119 Ca 0.39 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.26 2d93 h TYR 119 Cb 0.70 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.97 2d93 h TYR 119 CO -0.00 0.00 0.00 1.87 -1.64 0.00 0.00 178.16 178.39 2d93 n TRP 120 N -3.04 0.02 0.67 -3.82 -0.00 0.11 -4.16 117.44 107.22 2d93 n TRP 120 Ca 0.00 -0.02 0.10 0.00 -0.00 0.00 0.00 57.50 57.58 2d93 n TRP 120 Cb 0.27 -0.00 0.11 0.00 -0.00 0.00 0.00 31.31 31.69 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 0.64 1.97 0.00 5.87 1.74 0.97 -3.97 116.66 123.87 2d93 n ARG 121 Ca 0.07 -1.83 -0.03 0.00 -0.77 0.00 0.00 57.85 55.28 2d93 n ARG 121 Cb 0.29 -1.41 -0.01 0.00 -1.02 0.00 0.00 32.46 30.31 2d93 n ARG 121 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2d93 n ILE 122 N 1.18 0.94 -0.01 0.55 5.41 -1.14 -4.02 119.36 122.27 2d93 n ILE 122 Ca 0.13 0.20 -0.12 0.00 1.00 0.00 0.00 62.75 63.96 2d93 n ILE 122 Cb 0.52 -1.69 -0.07 0.00 -0.71 0.00 0.00 39.64 37.69 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 -0.21 0.09-10.14 1.39 4.07 -1.82 -3.45 115.31 105.24 2d93 h LEU 123 Ca -0.05 -0.21 -0.40 0.00 0.08 0.00 0.00 57.88 57.30 2d93 h LEU 123 Cb 0.54 -0.02 0.21 0.00 1.08 0.00 0.00 40.66 42.46 2d93 h LEU 123 CO -0.03 0.27 -0.04 0.20 -1.08 0.00 0.00 178.44 177.76 2d93 s ASN 124 N -5.48 -0.30 -0.73 -0.43 0.01 -1.26 -4.96 114.94 101.79 2d93 s ASN 124 Ca -0.14 0.88 0.02 0.00 -0.71 0.00 0.00 52.86 52.90 2d93 s ASN 124 Cb 0.05 -1.26 0.35 0.00 0.41 0.00 0.00 41.25 40.80 2d93 s ASN 124 CO 0.68 -4.90 1.44 1.41 -1.51 0.00 0.00 177.10 174.21 2d93 n HIS 125 N -5.32 3.36 -3.37 2.20 8.25 -1.26 -4.91 115.22 114.17 2d93 n HIS 125 Ca 0.11 -3.09 -0.38 0.00 -0.26 0.00 0.00 57.72 54.10 2d93 n HIS 125 Cb 0.59 -0.74 -0.06 0.00 1.12 0.00 0.00 29.99 30.91 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 -4.78 4.97 0.38 1.59 0.11 -1.26 -5.08 120.40 116.34 2d93 s VAL 126 Ca 0.47 1.01 -0.14 0.00 -2.93 0.00 0.00 61.98 60.39 2d93 s VAL 126 Cb 0.31 -3.81 -0.08 0.00 -1.53 0.00 0.00 36.38 31.27 2d93 s VAL 126 CO -0.20 0.50 0.79 -1.83 -3.33 0.00 0.00 175.10 171.03 2d93 s GLU 127 N -0.60 3.92 -1.12 1.54 -1.05 -1.26 -4.20 118.70 115.92 2d93 s GLU 127 Ca 0.26 0.65 -0.01 0.00 -0.15 0.00 0.00 54.97 55.72 2d93 s GLU 127 Cb -0.17 -2.37 0.00 0.00 -0.44 0.00 0.00 34.13 31.15 2d93 s GLU 127 CO 0.15 0.02 0.94 1.17 0.95 0.00 0.00 175.26 178.48 2d93 n LYS 128 N -0.90 -6.24 -3.60 -4.83 4.81 -1.26 -5.02 118.16 101.13 2d93 n LYS 128 Ca 0.04 0.78 -0.15 0.00 -0.87 0.00 0.00 58.31 58.11 2d93 n LYS 128 Cb 0.54 -5.60 -0.06 0.00 0.02 0.00 0.00 35.03 29.93 2d93 n LYS 128 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2d93 s SER 129 N -4.14 -0.45 0.45 3.14 0.01 -1.26 -5.13 113.70 106.32 2d93 s SER 129 Ca 0.06 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.64 2d93 s SER 129 Cb -0.03 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2d93 s SER 129 CO 0.67 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2d93 n GLY 130 N 0.71 -4.03 3.77 3.44 0.00 -1.26 -4.88 105.19 102.94 2d93 n GLY 130 Ca -0.19 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 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 -4.72 4.34 0.14 1.61 0.04 -1.26 -5.05 135.00 130.10 2d93 s PRO 131 Ca 0.00 2.00 0.06 0.00 0.04 0.00 0.00 61.00 63.11 2d93 s PRO 131 Cb 0.00 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.51 2d93 s PRO 131 CO 0.00 -0.13 0.00 0.45 0.04 0.00 0.00 177.00 177.37 2d93 s SER 132 N -0.77 4.89 -0.37 6.66 0.15 -1.26 -4.95 113.70 118.04 2d93 s SER 132 Ca 0.50 -0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.83 2d93 s SER 132 Cb -0.35 -1.10 0.09 0.00 -1.71 0.00 0.00 66.02 62.95 2d93 s SER 132 CO 0.46 0.12 0.14 -0.55 1.20 0.00 0.00 173.24 174.61 2d93 s SER 133 N -2.69 5.14 0.00 5.45 0.15 -1.26 -5.22 113.70 115.26 2d93 s SER 133 Ca 0.27 -1.79 0.10 0.00 0.70 0.00 0.00 55.95 55.23 2d93 s SER 133 Cb -0.10 -1.79 0.08 0.00 -1.71 0.00 0.00 66.02 62.50 2d93 s SER 133 CO 0.18 -0.45 0.82 0.61 1.20 0.00 0.00 173.24 175.61