#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x40 s SER 2 N 0.00 5.09 0.04 1.61 1.04 -1.26 -5.15 113.70 115.07 1x40 s SER 2 Ca 0.00 -0.78 -0.08 0.00 0.48 0.00 0.00 55.95 55.57 1x40 s SER 2 Cb 0.00 -0.33 -0.00 0.00 0.10 0.00 0.00 66.02 65.79 1x40 s SER 2 CO 0.00 -0.83 0.16 -0.44 0.98 0.00 0.00 173.24 173.11 1x40 s SER 3 N -4.26 0.09 0.00 7.02 0.01 -1.26 -4.99 113.70 110.32 1x40 s SER 3 Ca 0.49 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1x40 s SER 3 Cb -0.04 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1x40 s SER 3 CO 0.29 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1x40 n GLY 4 N 0.72 1.13 0.44 3.44 0.00 -1.26 -4.87 105.19 104.78 1x40 n GLY 4 Ca -0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 1x40 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x40 h SER 5 N 0.00 -0.92 -2.34 1.61 0.02 -1.93 -3.44 113.55 106.54 1x40 h SER 5 Ca 0.00 0.02 -0.48 0.00 -0.84 0.00 0.00 61.79 60.49 1x40 h SER 5 Cb 0.00 0.24 0.23 0.00 0.14 0.00 0.00 62.40 63.01 1x40 h SER 5 CO 0.00 -0.63 -1.24 -1.54 -1.14 0.00 0.00 176.83 172.28 1x40 n SER 6 N -5.54 -2.57 -3.72 3.07 3.41 -1.26 -4.97 113.62 102.03 1x40 n SER 6 Ca -0.15 -0.01 -0.14 0.00 -0.26 0.00 0.00 58.87 58.32 1x40 n SER 6 Cb 0.44 -0.94 -0.09 0.00 -0.26 0.00 0.00 64.21 63.37 1x40 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x40 s GLY 7 N -1.73 -0.25 0.01 5.00 0.00 -1.26 -5.08 107.32 104.01 1x40 s GLY 7 Ca 0.53 0.66 -0.07 0.00 0.00 0.00 0.00 44.72 45.84 1x40 s GLY 7 CO 0.67 0.44 1.11 -0.33 0.00 0.00 0.00 173.10 174.99 1x40 h MET 8 N 4.14 -0.21 -6.17 2.90 2.86 -1.97 -3.43 114.93 113.05 1x40 h MET 8 Ca -0.29 0.01 -0.57 0.00 -2.06 0.00 0.00 59.70 56.80 1x40 h MET 8 Cb 1.17 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.85 1x40 h MET 8 CO 0.36 -0.14 -0.33 -1.12 1.06 0.00 0.00 176.91 176.74 1x40 s SER 9 N -2.57 6.44 -0.30 1.22 0.01 -1.26 -5.09 113.70 112.16 1x40 s SER 9 Ca -0.04 0.50 -0.02 0.00 1.31 0.00 0.00 55.95 57.71 1x40 s SER 9 Cb 0.01 -2.05 0.19 0.00 0.21 0.00 0.00 66.02 64.37 1x40 s SER 9 CO 0.11 0.02 0.64 -0.55 0.41 0.00 0.00 173.24 173.88 1x40 s SER 10 N -2.70 -1.32 -0.05 2.44 0.15 -1.26 -5.13 113.70 105.84 1x40 s SER 10 Ca 0.40 0.77 0.01 0.00 0.70 0.00 0.00 55.95 57.83 1x40 s SER 10 Cb -0.12 2.09 0.02 0.00 -1.71 0.00 0.00 66.02 66.30 1x40 s SER 10 CO 0.27 -0.25 -0.07 -0.69 1.20 0.00 0.00 173.24 173.70 1x40 s VAL 11 N 2.87 0.70 -1.08 4.45 1.01 -1.26 -4.80 120.40 122.28 1x40 s VAL 11 Ca 0.18 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 1x40 s VAL 11 Cb -0.14 -0.69 0.12 0.00 0.00 0.00 0.00 36.38 35.66 1x40 s VAL 11 CO -0.21 0.26 0.36 -0.24 0.00 0.00 0.00 175.10 175.27 1x40 n SER 12 N 3.96 -1.98 -4.23 3.32 2.88 -1.26 -4.89 113.62 111.42 1x40 n SER 12 Ca -0.25 -0.43 -0.29 0.00 -1.33 0.00 0.00 58.87 56.57 1x40 n SER 12 Cb 0.51 -1.73 0.20 0.00 -0.75 0.00 0.00 64.21 62.44 1x40 n SER 12 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1x40 s GLU 13 N -6.16 -0.23 0.64 -1.46 2.12 -1.26 -4.85 118.70 107.50 1x40 s GLU 13 Ca 0.44 0.09 0.24 0.00 0.36 0.00 0.00 54.97 56.10 1x40 s GLU 13 Cb -0.25 -1.70 1.20 0.00 0.26 0.00 0.00 34.13 33.64 1x40 s GLU 13 CO 0.54 -3.08 1.67 -0.39 -0.54 0.00 0.00 175.26 173.46 1x40 h VAL 14 N -2.13 0.10 -1.83 3.70 -1.51 -1.99 -3.43 116.25 109.16 1x40 h VAL 14 Ca -0.48 0.00 -0.62 0.00 -1.23 0.00 0.00 66.70 64.36 1x40 h VAL 14 Cb 1.30 0.45 0.15 0.00 -2.13 0.00 0.00 31.29 31.07 1x40 h VAL 14 CO 0.45 0.00 -0.75 -3.20 -1.23 0.00 0.00 177.57 172.84 1x40 n ASN 15 N -3.07 -2.14 -4.54 4.19 5.15 -1.26 -4.97 115.26 108.62 1x40 n ASN 15 Ca 0.04 0.87 -0.29 0.00 -0.60 0.00 0.00 54.58 54.59 1x40 n ASN 15 Cb 0.70 -0.96 -0.10 0.00 -0.53 0.00 0.00 39.78 38.89 1x40 n ASN 15 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1x40 s VAL 16 N -1.56 3.12 -0.08 3.44 0.11 -1.26 -5.02 120.40 119.14 1x40 s VAL 16 Ca 0.61 -1.40 -0.30 0.00 -2.93 0.00 0.00 61.98 57.96 1x40 s VAL 16 Cb -0.65 -2.45 -0.03 0.00 -1.53 0.00 0.00 36.38 31.72 1x40 s VAL 16 CO 0.61 0.09 1.17 -0.62 -3.33 0.00 0.00 175.10 173.02 1x40 s ASP 17 N -2.22 7.07 0.34 3.54 -1.08 -1.26 -1.65 116.67 121.40 1x40 s ASP 17 Ca 0.20 1.75 0.27 0.00 -0.52 0.00 0.00 52.55 54.24 1x40 s ASP 17 Cb -0.11 -2.56 1.11 0.00 -1.46 0.00 0.00 42.92 39.91 1x40 s ASP 17 CO 0.12 -0.58 1.11 0.00 0.52 0.00 0.00 175.17 176.34 1x40 n ILE 18 N 4.70 -0.13 0.34 4.11 0.13 0.15 0.12 119.36 128.77 1x40 n ILE 18 Ca 0.11 1.22 -0.17 0.00 -1.10 0.00 0.00 62.75 62.80 1x40 n ILE 18 Cb 0.46 -2.01 -0.09 0.00 -0.84 0.00 0.00 39.64 37.17 1x40 n ILE 18 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 1x40 h LYS 19 N 0.00 -0.83 -0.67 9.51 3.64 -1.90 -1.56 116.57 124.75 1x40 h LYS 19 Ca 0.64 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 60.14 1x40 h LYS 19 Cb 2.21 0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 34.18 1x40 h LYS 19 CO -0.24 -0.55 0.44 0.22 -2.27 0.00 0.00 179.45 177.05 1x40 h ASP 20 N -0.86 0.60 0.13 4.20 1.82 0.49 0.30 116.42 123.11 1x40 h ASP 20 Ca -0.08 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.51 1x40 h ASP 20 Cb 0.68 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.55 1x40 h ASP 20 CO 0.11 0.39 -0.20 0.15 -1.61 0.00 0.00 179.24 178.08 1x40 h PHE 21 N 0.69 0.14 0.00 0.28 3.57 -1.07 -2.30 116.94 118.25 1x40 h PHE 21 Ca 0.29 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 1x40 h PHE 21 Cb 0.26 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1x40 h PHE 21 CO -0.00 0.33 -0.51 -0.07 -2.23 0.00 0.00 178.31 175.83 1x40 h LEU 22 N 0.13 0.00 -1.47 0.59 3.38 -0.08 -3.35 115.31 114.50 1x40 h LEU 22 Ca 0.02 -0.13 0.38 0.00 0.09 0.00 0.00 57.88 58.25 1x40 h LEU 22 Cb 0.43 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.07 1x40 h LEU 22 CO 0.03 0.83 0.82 0.24 0.09 0.00 0.00 178.44 180.46 1x40 h MET 23 N -1.00 0.16 0.03 1.13 2.86 -0.55 0.61 114.93 118.17 1x40 h MET 23 Ca -0.06 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1x40 h MET 23 Cb 0.56 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1x40 h MET 23 CO -0.03 0.11 -0.04 1.03 1.06 0.00 0.00 176.91 179.03 1x40 h SER 24 N 0.17 -0.12 -0.18 1.22 0.87 -1.57 -2.31 113.55 111.63 1x40 h SER 24 Ca 0.74 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.31 1x40 h SER 24 Cb 2.28 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 64.29 1x40 h SER 24 CO -0.33 -0.07 0.00 2.30 -0.53 0.00 0.00 176.83 178.20 1x40 n ILE 25 N -5.15 0.22 -3.07 2.23 -5.35 0.85 -4.94 119.36 104.15 1x40 n ILE 25 Ca -0.07 -0.39 -0.13 0.00 -0.27 0.00 0.00 62.75 61.89 1x40 n ILE 25 Cb 0.08 0.49 0.07 0.00 -1.74 0.00 0.00 39.64 38.54 1x40 n ILE 25 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1x40 n ASN 26 N 0.49 -3.13 -0.14 7.28 4.13 0.18 -4.95 115.26 119.12 1x40 n ASN 26 Ca 0.17 -0.52 0.04 0.00 1.68 0.00 0.00 54.58 55.95 1x40 n ASN 26 Cb 0.37 -4.22 0.06 0.00 -1.54 0.00 0.00 39.78 34.45 1x40 n ASN 26 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x40 n LEU 27 N -3.32 1.49 0.24 3.41 7.99 -0.64 -4.78 117.00 121.39 1x40 n LEU 27 Ca -0.18 -2.03 0.14 0.00 -0.01 0.00 0.00 56.01 53.93 1x40 n LEU 27 Cb 0.62 -0.19 0.59 0.00 -0.11 0.00 0.00 43.42 44.33 1x40 n LEU 27 CO 0.48 0.48 1.12 1.05 -1.51 0.00 0.00 177.39 179.01 1x40 h GLU 28 N 0.00 0.00 -0.06 3.23 -0.00 -1.91 0.18 114.58 116.03 1x40 h GLU 28 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 59.36 59.38 1x40 h GLU 28 Cb 0.97 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.72 1x40 h GLU 28 CO 0.00 0.00 0.29 -0.56 -0.00 0.00 0.00 179.01 178.74 1x40 h GLN 29 N 0.00 0.00 -0.00 1.06 3.07 -1.96 0.54 115.11 117.82 1x40 h GLN 29 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.82 1x40 h GLN 29 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.82 1x40 h GLN 29 CO -0.00 0.00 -0.80 0.66 0.09 0.00 0.00 178.83 178.78 1x40 n TYR 30 N -3.07 0.00 -0.34 0.06 4.01 0.64 -4.55 117.16 113.91 1x40 n TYR 30 Ca -0.01 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.78 1x40 n TYR 30 Cb 0.36 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.51 1x40 n TYR 30 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1x40 h LEU 31 N 0.20 -0.91 0.07 7.72 5.85 0.00 0.26 115.31 128.51 1x40 h LEU 31 Ca 0.00 0.29 0.01 0.00 0.84 0.00 0.00 57.88 59.02 1x40 h LEU 31 Cb 0.44 0.60 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1x40 h LEU 31 CO 0.00 -0.31 -0.13 0.25 -0.34 0.00 0.00 178.44 177.91 1x40 h LEU 32 N -0.00 -0.35 -1.53 2.25 7.12 -1.80 0.46 115.31 121.46 1x40 h LEU 32 Ca 0.45 0.04 0.17 0.00 0.13 0.00 0.00 57.88 58.68 1x40 h LEU 32 Cb 0.69 0.13 -0.06 0.00 -0.53 0.00 0.00 40.66 40.90 1x40 h LEU 32 CO -0.98 -0.19 0.55 0.45 -0.13 0.00 0.00 178.44 178.14 1x40 h HIS 33 N -0.25 0.53 0.01 1.25 3.86 -0.86 0.30 115.15 120.00 1x40 h HIS 33 Ca 0.02 0.02 -0.21 0.00 -1.16 0.00 0.00 60.37 59.04 1x40 h HIS 33 Cb 0.27 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1x40 h HIS 33 CO -0.15 0.17 -0.93 0.74 0.86 0.00 0.00 177.93 178.62 1x40 h PHE 34 N 0.43 0.38 0.24 2.45 0.04 -0.24 -2.67 116.94 117.58 1x40 h PHE 34 Ca 0.42 -0.22 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 1x40 h PHE 34 Cb 0.99 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.10 1x40 h PHE 34 CO -0.00 1.05 -0.12 0.45 -0.60 0.00 0.00 178.31 179.09 1x40 h HIS 35 N 0.13 -0.30 -0.26 -0.55 3.86 0.13 0.59 115.15 118.75 1x40 h HIS 35 Ca -0.06 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.22 1x40 h HIS 35 Cb 1.57 0.10 -0.01 0.00 1.06 0.00 0.00 27.41 30.13 1x40 h HIS 35 CO 0.04 -0.02 0.23 0.93 0.86 0.00 0.00 177.93 179.97 1x40 h GLU 36 N -1.01 0.00 -0.10 2.45 5.08 -0.67 -0.87 114.58 119.46 1x40 h GLU 36 Ca -0.03 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.09 1x40 h GLU 36 Cb 0.42 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.68 1x40 h GLU 36 CO 0.05 0.00 -0.85 0.66 -1.00 0.00 0.00 179.01 177.87 1x40 h SER 37 N 0.00 0.89 0.00 1.42 4.64 -1.50 -3.48 113.55 115.52 1x40 h SER 37 Ca 0.12 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1x40 h SER 37 Cb 0.58 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1x40 h SER 37 CO -0.00 1.42 0.00 0.61 -0.87 0.00 0.00 176.83 177.99 1x40 n GLY 38 N 0.80 1.22 2.94 -0.77 0.00 -0.33 -5.09 105.19 103.95 1x40 n GLY 38 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1x40 n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x40 s PHE 39 N -1.53 3.06 -0.15 1.61 0.08 0.20 -4.96 117.98 116.28 1x40 s PHE 39 Ca 0.00 -2.49 -0.12 0.00 0.12 0.00 0.00 56.93 54.44 1x40 s PHE 39 Cb 0.00 -2.38 -0.24 0.00 -0.57 0.00 0.00 43.02 39.83 1x40 s PHE 39 CO 0.00 -0.90 0.30 0.25 -0.10 0.00 0.00 175.22 174.77 1x40 n THR 40 N 4.46 1.70 -4.39 0.64 -2.24 -1.26 -3.97 114.28 109.22 1x40 n THR 40 Ca -0.01 -0.44 -0.27 0.00 -2.27 0.00 0.00 64.05 61.06 1x40 n THR 40 Cb 0.42 -1.84 -0.08 0.00 -2.10 0.00 0.00 70.33 66.73 1x40 n THR 40 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1x40 s THR 41 N -2.49 2.00 0.26 4.28 -4.23 -1.26 0.30 115.64 114.50 1x40 s THR 41 Ca -0.25 -1.84 -0.01 0.00 -1.18 0.00 0.00 61.69 58.41 1x40 s THR 41 Cb 0.06 -2.84 0.08 0.00 1.34 0.00 0.00 72.50 71.15 1x40 s THR 41 CO 0.71 0.00 1.73 0.58 -0.54 0.00 0.00 174.62 177.09 1x40 h VAL 42 N 1.51 1.25 -0.20 2.29 2.07 -1.63 -2.58 116.25 118.96 1x40 h VAL 42 Ca -0.43 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.00 1x40 h VAL 42 Cb 1.26 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1x40 h VAL 42 CO 0.74 0.38 0.15 0.11 0.02 0.00 0.00 177.57 178.98 1x40 h LYS 43 N 0.60 0.00 0.00 1.57 1.79 -1.97 0.22 116.57 118.79 1x40 h LYS 43 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1x40 h LYS 43 Cb 0.58 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1x40 h LYS 43 CO 0.04 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.16 1x40 n ASP 44 N -4.40 0.38 -1.57 0.86 8.00 -0.97 -2.15 116.55 116.70 1x40 n ASP 44 Ca 0.02 0.59 0.07 0.00 0.71 0.00 0.00 54.79 56.18 1x40 n ASP 44 Cb 0.29 -0.67 0.34 0.00 -0.02 0.00 0.00 41.12 41.06 1x40 n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x40 h ALA 46 N 3.88 1.14 0.00 0.00 0.00 -1.52 -2.94 119.26 119.82 1x40 h ALA 46 Ca 0.00 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 1x40 h ALA 46 Cb 1.53 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 1x40 h ALA 46 CO 0.31 0.24 -2.01 0.00 0.00 0.00 0.00 179.25 177.78 1x40 n ALA 47 N -2.26 1.99 -1.72 0.00 0.00 -1.26 -4.96 120.51 112.31 1x40 n ALA 47 Ca -0.01 -0.88 -0.42 0.00 0.00 0.00 0.00 53.44 52.12 1x40 n ALA 47 Cb 0.35 -0.56 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 1x40 n ALA 47 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1x40 n ILE 48 N -2.65 1.45 -4.28 0.00 5.41 -1.11 -5.01 119.36 113.17 1x40 n ILE 48 Ca -0.18 -0.36 -0.15 0.00 1.00 0.00 0.00 62.75 63.06 1x40 n ILE 48 Cb 0.90 -1.76 -0.10 0.00 -0.71 0.00 0.00 39.64 37.97 1x40 n ILE 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1x40 s ASN 49 N 0.12 0.83 0.13 4.38 0.01 -1.26 -4.98 114.94 114.17 1x40 s ASN 49 Ca 0.61 -1.38 -0.24 0.00 -0.71 0.00 0.00 52.86 51.14 1x40 s ASN 49 Cb -0.54 0.24 -0.05 0.00 0.41 0.00 0.00 41.25 41.31 1x40 s ASN 49 CO 0.55 -0.77 1.19 -0.90 -1.51 0.00 0.00 177.10 175.67 1x40 n ASP 50 N -0.39 -0.81 -0.29 -1.22 5.75 -1.26 0.16 116.55 118.48 1x40 n ASP 50 Ca 0.01 1.38 0.09 0.00 -0.01 0.00 0.00 54.79 56.25 1x40 n ASP 50 Cb 0.66 -0.18 0.25 0.00 -1.03 0.00 0.00 41.12 40.82 1x40 n ASP 50 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1x40 h SER 51 N 0.00 0.43 0.08 -1.12 0.02 -1.98 -1.28 113.55 109.70 1x40 h SER 51 Ca 0.13 0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1x40 h SER 51 Cb 0.32 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1x40 h SER 51 CO -0.73 0.13 -0.10 0.25 -1.14 0.00 0.00 176.83 175.24 1x40 h LEU 52 N 0.53 -0.28 -0.33 5.07 7.12 0.11 -0.58 115.31 126.95 1x40 h LEU 52 Ca 0.49 0.03 0.07 0.00 0.13 0.00 0.00 57.88 58.60 1x40 h LEU 52 Cb 0.79 0.10 -0.08 0.00 -0.53 0.00 0.00 40.66 40.94 1x40 h LEU 52 CO -0.42 -0.16 -0.25 -0.07 -0.13 0.00 0.00 178.44 177.41 1x40 h LEU 53 N -0.22 -0.82 -0.08 2.25 -0.00 -0.01 0.55 115.31 116.98 1x40 h LEU 53 Ca 0.01 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 1x40 h LEU 53 Cb 0.22 0.40 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 1x40 h LEU 53 CO -0.05 -0.27 0.00 0.00 -0.00 0.00 0.00 178.44 178.12 1x40 n GLN 54 N -5.39 0.02 -0.07 1.13 10.64 -0.91 -2.73 117.38 120.07 1x40 n GLN 54 Ca 0.01 0.30 -0.19 0.00 -1.83 0.00 0.00 57.00 55.28 1x40 n GLN 54 Cb 0.30 -1.54 -0.12 0.00 -0.86 0.00 0.00 30.24 28.02 1x40 n GLN 54 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1x40 h LYS 55 N 0.00 0.05 -0.74 2.61 3.64 0.16 -3.35 116.57 118.94 1x40 h LYS 55 Ca 0.00 -0.08 0.21 0.00 -1.27 0.00 0.00 60.65 59.51 1x40 h LYS 55 Cb 0.23 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1x40 h LYS 55 CO 0.00 1.04 0.53 -0.84 -2.27 0.00 0.00 179.45 177.91 1x40 h ILE 56 N -0.87 0.65 0.00 2.00 3.07 -0.75 -3.44 117.51 118.17 1x40 h ILE 56 Ca -0.22 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.17 1x40 h ILE 56 Cb 1.29 0.60 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 1x40 h ILE 56 CO -0.09 0.01 0.00 0.61 -1.05 0.00 0.00 178.15 177.63 1x40 n GLY 57 N -1.66 0.89 3.35 0.16 0.00 -1.22 -4.98 105.19 101.73 1x40 n GLY 57 Ca 0.15 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.67 1x40 n GLY 57 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x40 n ILE 58 N 0.00 0.00 0.14 -0.61 5.41 -1.10 -4.81 119.36 118.39 1x40 n ILE 58 Ca 0.00 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.68 1x40 n ILE 58 Cb 0.00 -0.50 -0.03 0.00 -0.71 0.00 0.00 39.64 38.40 1x40 n ILE 58 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1x40 h SER 59 N 10.43 -0.38 -3.62 4.38 0.87 -1.89 -3.39 113.55 119.96 1x40 h SER 59 Ca -0.07 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 59.97 1x40 h SER 59 Cb 1.35 0.10 0.04 0.00 -0.44 0.00 0.00 62.40 63.45 1x40 h SER 59 CO 1.23 0.07 0.61 -2.16 -0.53 0.00 0.00 176.83 176.05 1x40 s PRO 60 N -3.04 4.43 -0.01 2.24 0.04 -1.26 -4.96 135.00 132.43 1x40 s PRO 60 Ca -0.07 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 1x40 s PRO 60 Cb 0.01 -3.16 -0.33 0.00 0.04 0.00 0.00 34.50 31.06 1x40 s PRO 60 CO 0.21 -0.14 0.87 1.15 0.04 0.00 0.00 177.00 179.13 1x40 h THR 61 N 3.40 1.24 -1.17 1.26 2.02 -2.00 -3.31 112.91 114.35 1x40 h THR 61 Ca -0.46 -2.60 0.43 0.00 0.77 0.00 0.00 66.41 64.54 1x40 h THR 61 Cb 1.22 3.00 -0.14 0.00 -1.74 0.00 0.00 68.15 70.48 1x40 h THR 61 CO 0.72 0.79 0.72 0.61 0.37 0.00 0.00 175.52 178.73 1x40 n GLY 62 N 1.74 -0.76 0.11 2.16 0.00 -1.26 0.20 105.19 107.38 1x40 n GLY 62 Ca -0.19 0.72 -0.17 0.00 0.00 0.00 0.00 46.02 46.39 1x40 n GLY 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1x40 h HIS 63 N 0.00 0.52 -0.54 1.61 -0.00 -1.99 -3.22 115.15 111.53 1x40 h HIS 63 Ca 0.81 -0.38 0.08 0.00 -0.00 0.00 0.00 60.37 60.88 1x40 h HIS 63 Cb 2.47 -0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 29.80 1x40 h HIS 63 CO -0.01 1.31 0.20 0.00 -0.00 0.00 0.00 177.93 179.43 1x40 h ARG 64 N 0.08 0.37 0.24 2.45 3.08 0.23 0.59 114.38 121.41 1x40 h ARG 64 Ca -0.16 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1x40 h ARG 64 Cb 1.99 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.96 1x40 h ARG 64 CO 0.20 0.24 -0.12 0.00 -1.07 0.00 0.00 179.97 179.23 1x40 h ARG 65 N 0.38 -0.32 -0.30 0.04 3.08 -1.48 -2.64 114.38 113.14 1x40 h ARG 65 Ca 0.26 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.40 1x40 h ARG 65 Cb 0.30 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.35 1x40 h ARG 65 CO -0.27 -0.08 -0.12 -0.09 -1.07 0.00 0.00 179.97 178.34 1x40 h ARG 66 N -0.51 -0.07 -0.12 0.04 2.43 -1.48 0.19 114.38 114.85 1x40 h ARG 66 Ca -0.03 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1x40 h ARG 66 Cb 0.38 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.88 1x40 h ARG 66 CO 0.06 -0.05 -0.46 0.82 -1.51 0.00 0.00 179.97 178.83 1x40 h ILE 67 N -0.07 0.09 -0.79 1.20 2.04 -0.86 -1.58 117.51 117.56 1x40 h ILE 67 Ca 0.15 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1x40 h ILE 67 Cb 0.30 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 1x40 h ILE 67 CO -0.34 0.00 0.51 -0.07 0.00 0.00 0.00 178.15 178.25 1x40 h LEU 68 N -0.53 0.87 -0.54 1.44 3.38 -1.10 -2.07 115.31 116.76 1x40 h LEU 68 Ca 0.06 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1x40 h LEU 68 Cb 0.65 -0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.09 1x40 h LEU 68 CO -0.41 0.62 -0.43 0.50 0.09 0.00 0.00 178.44 178.80 1x40 h LYS 69 N 1.02 -0.24 -0.48 1.13 3.64 0.33 -0.51 116.57 121.46 1x40 h LYS 69 Ca 0.30 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.66 1x40 h LYS 69 Cb -0.06 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1x40 h LYS 69 CO -0.09 -0.16 0.14 1.96 -2.27 0.00 0.00 179.45 179.04 1x40 h GLN 70 N -0.25 0.76 -0.74 1.90 1.08 -1.20 -2.98 115.11 113.68 1x40 h GLN 70 Ca 0.17 -0.17 0.16 0.00 -1.45 0.00 0.00 58.65 57.36 1x40 h GLN 70 Cb 0.57 -0.11 -0.13 0.00 -0.05 0.00 0.00 27.48 27.76 1x40 h GLN 70 CO -0.66 0.73 -0.04 -0.07 -0.95 0.00 0.00 178.83 177.83 1x40 h LEU 71 N 0.65 -0.42 0.76 1.46 3.38 -0.42 0.17 115.31 120.89 1x40 h LEU 71 Ca 0.15 0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 1x40 h LEU 71 Cb 0.29 0.37 0.01 0.00 0.09 0.00 0.00 40.66 41.41 1x40 h LEU 71 CO -0.00 -0.19 -0.36 1.56 0.09 0.00 0.00 178.44 179.53 1x40 h GLN 72 N 0.08 -0.98 -0.49 1.13 1.08 -1.08 0.26 115.11 115.12 1x40 h GLN 72 Ca 0.39 0.07 0.09 0.00 -1.45 0.00 0.00 58.65 57.75 1x40 h GLN 72 Cb 0.67 0.22 -0.10 0.00 -0.05 0.00 0.00 27.48 28.23 1x40 h GLN 72 CO -0.68 -0.65 -0.35 0.82 -0.95 0.00 0.00 178.83 177.02 1x40 h ILE 73 N -1.03 0.18 0.82 2.54 2.04 -1.29 0.13 117.51 120.90 1x40 h ILE 73 Ca -0.10 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1x40 h ILE 73 Cb 0.78 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1x40 h ILE 73 CO 0.17 0.00 -0.48 0.40 0.00 0.00 0.00 178.15 178.24 1x40 h ILE 74 N -0.23 0.04 -0.83 -0.67 2.04 -0.67 -2.89 117.51 114.31 1x40 h ILE 74 Ca 0.19 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.25 1x40 h ILE 74 Cb 0.55 0.04 -0.15 0.00 -0.74 0.00 0.00 36.82 36.52 1x40 h ILE 74 CO -0.61 0.00 0.02 -0.07 0.00 0.00 0.00 178.15 177.49 1x40 h LEU 75 N -1.21 -0.37 -0.58 1.44 3.38 -0.00 -1.76 115.31 116.21 1x40 h LEU 75 Ca -0.11 0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1x40 h LEU 75 Cb 0.96 0.38 -0.07 0.00 0.09 0.00 0.00 40.66 42.02 1x40 h LEU 75 CO 0.13 -0.22 -0.34 -0.24 0.09 0.00 0.00 178.44 177.86 1x40 n SER 76 N -5.38 -0.62 0.03 -0.43 2.88 0.41 -1.36 113.62 109.15 1x40 n SER 76 Ca 0.16 1.41 -0.14 0.00 -1.33 0.00 0.00 58.87 58.98 1x40 n SER 76 Cb 0.55 -0.32 -0.09 0.00 -0.75 0.00 0.00 64.21 63.60 1x40 n SER 76 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1x40 h LYS 77 N 0.00 -0.54 -0.54 -1.46 1.57 -1.35 0.24 116.57 114.50 1x40 h LYS 77 Ca 0.09 0.04 0.16 0.00 -1.87 0.00 0.00 60.65 59.07 1x40 h LYS 77 Cb 0.24 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1x40 h LYS 77 CO -0.55 -0.36 0.96 0.52 -0.57 0.00 0.00 179.45 179.46 1x40 h MET 78 N -0.56 0.00 -0.81 3.15 2.86 -1.12 1.43 114.93 119.89 1x40 h MET 78 Ca 0.02 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.10 1x40 h MET 78 Cb 0.62 0.00 -0.34 0.00 0.06 0.00 0.00 31.60 31.94 1x40 h MET 78 CO -0.34 0.00 -0.05 1.04 1.06 0.00 0.00 176.91 178.62 1x40 n GLN 79 N -3.05 3.04 -2.04 1.72 6.02 0.85 -4.67 117.38 119.25 1x40 n GLN 79 Ca 0.12 -3.70 -0.27 0.00 -0.01 0.00 0.00 57.00 53.14 1x40 n GLN 79 Cb 1.14 -2.23 0.02 0.00 1.02 0.00 0.00 30.24 30.19 1x40 n GLN 79 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1x40 n ASP 80 N -0.84 5.37 -4.57 1.08 5.75 0.49 -4.97 116.55 118.85 1x40 n ASP 80 Ca 0.51 -3.75 -0.33 0.00 -0.01 0.00 0.00 54.79 51.21 1x40 n ASP 80 Cb 0.87 -0.49 -0.11 0.00 -1.03 0.00 0.00 41.12 40.36 1x40 n ASP 80 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1x40 s ILE 81 N -4.89 3.55 0.79 2.12 -5.25 -1.26 -5.08 121.20 111.18 1x40 s ILE 81 Ca 0.52 -0.69 -0.11 0.00 -0.99 0.00 0.00 60.65 59.38 1x40 s ILE 81 Cb 0.42 -2.49 0.06 0.00 2.95 0.00 0.00 42.46 43.40 1x40 s ILE 81 CO -0.05 0.48 1.09 -2.16 -1.79 0.00 0.00 174.94 172.52 1x40 s PRO 82 N -1.14 2.14 -0.39 0.37 0.04 -1.26 -4.92 135.00 129.85 1x40 s PRO 82 Ca 0.15 1.13 -0.28 0.00 0.04 0.00 0.00 61.00 62.04 1x40 s PRO 82 Cb -0.11 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1x40 s PRO 82 CO 0.05 -1.71 1.90 0.42 0.04 0.00 0.00 177.00 177.69 1x40 s ILE 83 N -2.91 3.37 0.03 0.56 1.01 -1.26 -4.95 121.20 117.06 1x40 s ILE 83 Ca 0.61 0.35 -0.08 0.00 0.00 0.00 0.00 60.65 61.53 1x40 s ILE 83 Cb -0.17 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.69 1x40 s ILE 83 CO 0.56 -0.45 0.15 -0.31 0.00 0.00 0.00 174.94 174.89 1x40 s TYR 84 N 7.89 0.10 -0.19 3.97 2.02 -1.26 -5.08 117.35 124.80 1x40 s TYR 84 Ca 0.80 -0.30 -0.10 0.00 -0.37 0.00 0.00 57.07 57.11 1x40 s TYR 84 Cb -0.21 -0.07 -0.08 0.00 -0.40 0.00 0.00 41.96 41.20 1x40 s TYR 84 CO 0.30 -0.37 -0.25 0.00 -1.57 0.00 0.00 175.55 173.67 1x40 n ALA 85 N 0.95 1.76 -3.64 3.71 0.00 -1.26 -5.06 120.51 116.97 1x40 n ALA 85 Ca -0.20 -0.76 -0.09 0.00 0.00 0.00 0.00 53.44 52.38 1x40 n ALA 85 Cb 0.58 0.25 -0.07 0.00 0.00 0.00 0.00 19.45 20.21 1x40 n ALA 85 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1x40 s SER 86 N -6.73 -0.87 -0.29 0.00 1.04 -1.26 -5.06 113.70 100.53 1x40 s SER 86 Ca -0.27 1.48 -0.14 0.00 0.48 0.00 0.00 55.95 57.50 1x40 s SER 86 Cb 0.10 1.40 0.12 0.00 0.10 0.00 0.00 66.02 67.74 1x40 s SER 86 CO 0.34 -0.24 0.77 -0.83 0.98 0.00 0.00 173.24 174.25 1x40 s GLY 87 N 1.23 -0.50 0.83 7.32 0.00 -1.26 -5.17 107.32 109.77 1x40 s GLY 87 Ca -0.07 2.61 -0.11 0.00 0.00 0.00 0.00 44.72 47.15 1x40 s GLY 87 CO -0.13 2.73 1.09 2.56 0.00 0.00 0.00 173.10 179.35 1x40 s PRO 88 N 2.05 1.82 0.08 2.90 0.04 -1.26 -5.06 135.00 135.56 1x40 s PRO 88 Ca -0.08 1.02 0.07 0.00 0.04 0.00 0.00 61.00 62.06 1x40 s PRO 88 Cb -0.07 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1x40 s PRO 88 CO -0.18 -1.90 -0.15 0.45 0.04 0.00 0.00 177.00 175.25 1x40 s SER 89 N -3.40 4.02 0.07 6.66 0.15 -1.26 -5.03 113.70 114.91 1x40 s SER 89 Ca 0.62 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1x40 s SER 89 Cb -0.17 -0.67 0.00 0.00 -1.71 0.00 0.00 66.02 63.46 1x40 s SER 89 CO 0.56 0.21 0.00 -0.24 1.20 0.00 0.00 173.24 174.98 1x40 n SER 90 N 1.09 0.25 0.00 5.45 2.88 -1.26 -5.38 113.62 116.65 1x40 n SER 90 Ca -0.15 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1x40 n SER 90 Cb 0.52 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1x40 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42