#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 1.83 -0.20 1.61 0.15 -1.26 -5.13 113.70 110.71 1x40 s SER 2 Ca 0.00 -0.37 -0.02 0.00 0.70 0.00 0.00 55.95 56.26 1x40 s SER 2 Cb 0.00 -0.17 -0.00 0.00 -1.71 0.00 0.00 66.02 64.14 1x40 s SER 2 CO 0.00 0.13 -0.10 -0.44 1.20 0.00 0.00 173.24 174.03 1x40 s SER 3 N -0.74 3.90 0.00 5.45 0.01 -1.26 -5.11 113.70 115.95 1x40 s SER 3 Ca 0.05 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1x40 s SER 3 Cb -0.07 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.52 1x40 s SER 3 CO 0.00 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1x40 n GLY 4 N 4.56 0.11 3.97 3.44 0.00 -1.26 -5.10 105.19 110.91 1x40 n GLY 4 Ca -0.19 -1.75 -0.23 0.00 0.00 0.00 0.00 46.02 43.85 1x40 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x40 s SER 5 N -1.00 4.81 -0.23 1.61 0.15 -1.26 -5.05 113.70 112.72 1x40 s SER 5 Ca 0.00 -0.02 -0.07 0.00 0.70 0.00 0.00 55.95 56.56 1x40 s SER 5 Cb 0.00 -0.62 -0.12 0.00 -1.71 0.00 0.00 66.02 63.57 1x40 s SER 5 CO 0.00 -1.52 -0.26 -0.24 1.20 0.00 0.00 173.24 172.41 1x40 n SER 6 N -2.67 1.89 0.00 5.45 2.88 -1.26 -5.08 113.62 114.83 1x40 n SER 6 Ca 0.10 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1x40 n SER 6 Cb 0.60 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1x40 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x40 n GLY 7 N 1.86 0.96 3.38 0.46 0.00 -1.26 -4.55 105.19 106.04 1x40 n GLY 7 Ca -0.44 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.33 1x40 n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x40 s MET 8 N -1.65 -2.36 -0.55 1.61 -1.94 -1.26 -4.97 119.30 108.18 1x40 s MET 8 Ca 0.00 0.19 -0.10 0.00 -1.71 0.00 0.00 55.69 54.07 1x40 s MET 8 Cb 0.00 -1.44 0.14 0.00 2.01 0.00 0.00 34.83 35.54 1x40 s MET 8 CO 0.00 -4.52 0.44 -1.12 -0.01 0.00 0.00 175.02 169.82 1x40 s SER 9 N -3.20 5.90 -0.29 3.03 0.01 -1.26 -5.01 113.70 112.89 1x40 s SER 9 Ca 0.69 -2.10 -0.23 0.00 1.31 0.00 0.00 55.95 55.62 1x40 s SER 9 Cb -0.14 -2.06 0.14 0.00 0.21 0.00 0.00 66.02 64.17 1x40 s SER 9 CO 0.58 -0.68 1.12 -0.94 0.41 0.00 0.00 173.24 173.74 1x40 s SER 10 N 2.57 -0.36 1.13 2.44 1.04 -1.26 -5.17 113.70 114.10 1x40 s SER 10 Ca 0.08 0.66 -0.19 0.00 0.48 0.00 0.00 55.95 56.99 1x40 s SER 10 Cb -0.24 0.77 0.12 0.00 0.10 0.00 0.00 66.02 66.77 1x40 s SER 10 CO -0.01 -0.11 0.06 1.33 0.98 0.00 0.00 173.24 175.48 1x40 n VAL 11 N 2.37 0.00 -3.57 5.02 0.24 -1.26 -5.05 118.33 116.08 1x40 n VAL 11 Ca -0.13 -0.31 -0.08 0.00 -2.04 0.00 0.00 64.34 61.78 1x40 n VAL 11 Cb 0.56 -0.63 -0.02 0.00 -1.47 0.00 0.00 33.84 32.29 1x40 n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x40 s SER 12 N -1.87 -0.37 -0.17 -1.34 0.15 -1.26 -5.06 113.70 103.77 1x40 s SER 12 Ca 0.56 -0.16 0.17 0.00 0.70 0.00 0.00 55.95 57.22 1x40 s SER 12 Cb -0.12 0.51 -0.25 0.00 -1.71 0.00 0.00 66.02 64.45 1x40 s SER 12 CO 0.66 -0.87 0.18 -1.84 1.20 0.00 0.00 173.24 172.56 1x40 n GLU 13 N -0.36 0.68 0.21 5.44 0.00 -1.26 -4.22 120.64 121.13 1x40 n GLU 13 Ca -0.10 0.05 0.08 0.00 0.00 0.00 0.00 57.16 57.19 1x40 n GLU 13 Cb 0.62 -1.57 0.45 0.00 0.00 0.00 0.00 31.44 30.93 1x40 n GLU 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 1x40 h VAL 14 N 0.00 0.00 -3.48 3.84 -1.51 -1.99 -3.40 116.25 109.71 1x40 h VAL 14 Ca -0.50 0.00 -0.53 0.00 -1.23 0.00 0.00 66.70 64.44 1x40 h VAL 14 Cb 2.20 0.36 -0.03 0.00 -2.13 0.00 0.00 31.29 31.70 1x40 h VAL 14 CO 0.04 0.00 0.30 0.21 -1.23 0.00 0.00 177.57 176.88 1x40 s ASN 15 N -3.62 7.37 0.12 4.19 2.47 -1.26 -4.89 114.94 119.31 1x40 s ASN 15 Ca -0.02 1.64 0.08 0.00 0.42 0.00 0.00 52.86 54.98 1x40 s ASN 15 Cb 0.05 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.26 1x40 s ASN 15 CO 0.15 -0.09 -0.15 0.54 -3.72 0.00 0.00 177.10 173.83 1x40 s VAL 16 N 0.27 3.04 0.24 -5.21 0.11 -1.26 -5.00 120.40 112.59 1x40 s VAL 16 Ca 0.45 -1.44 -0.30 0.00 -2.93 0.00 0.00 61.98 57.77 1x40 s VAL 16 Cb -0.22 -2.41 -0.09 0.00 -1.53 0.00 0.00 36.38 32.13 1x40 s VAL 16 CO 0.27 0.09 1.22 -0.62 -3.33 0.00 0.00 175.10 172.72 1x40 s ASP 17 N -2.21 7.04 0.64 3.54 2.15 -1.26 -0.19 116.67 126.37 1x40 s ASP 17 Ca 0.20 2.36 0.26 0.00 0.43 0.00 0.00 52.55 55.80 1x40 s ASP 17 Cb -0.11 -2.62 1.40 0.00 -0.30 0.00 0.00 42.92 41.30 1x40 s ASP 17 CO 0.12 -0.37 1.78 -0.29 -0.17 0.00 0.00 175.17 176.24 1x40 h ILE 18 N 3.44 0.00 -0.22 4.11 6.09 -0.70 0.23 117.51 130.47 1x40 h ILE 18 Ca -0.46 0.00 -0.20 0.00 -1.37 0.00 0.00 64.86 62.83 1x40 h ILE 18 Cb 1.22 0.57 0.01 0.00 0.47 0.00 0.00 36.82 39.08 1x40 h ILE 18 CO 0.71 0.00 -0.63 0.50 -3.07 0.00 0.00 178.15 175.66 1x40 h LYS 19 N 0.00 0.81 -0.02 2.19 3.64 -1.90 -2.71 116.57 118.58 1x40 h LYS 19 Ca 0.00 -0.58 -0.19 0.00 -1.27 0.00 0.00 60.65 58.60 1x40 h LYS 19 Cb 0.79 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1x40 h LYS 19 CO 0.00 1.20 -0.83 0.22 -2.27 0.00 0.00 179.45 177.78 1x40 h ASP 20 N 0.56 0.38 0.34 4.20 3.58 -0.92 0.21 116.42 124.77 1x40 h ASP 20 Ca -0.02 -0.28 -0.07 0.00 0.42 0.00 0.00 57.03 57.09 1x40 h ASP 20 Cb 1.25 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 1x40 h ASP 20 CO 0.14 1.05 -0.31 0.15 -2.88 0.00 0.00 179.24 177.38 1x40 h PHE 21 N 0.18 0.00 0.00 0.28 3.57 -1.44 -2.10 116.94 117.44 1x40 h PHE 21 Ca -0.04 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.20 1x40 h PHE 21 Cb 1.43 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.13 1x40 h PHE 21 CO 0.04 0.31 -1.39 1.28 -2.23 0.00 0.00 178.31 176.31 1x40 n LEU 22 N -4.10 1.89 -0.13 0.59 4.77 -1.02 -3.97 117.00 115.03 1x40 n LEU 22 Ca -0.02 0.41 0.22 0.00 -0.03 0.00 0.00 56.01 56.59 1x40 n LEU 22 Cb 0.36 -0.96 0.65 0.00 -2.33 0.00 0.00 43.42 41.14 1x40 n LEU 22 CO 0.38 0.32 1.22 0.24 -1.33 0.00 0.00 177.39 178.22 1x40 h MET 23 N -0.96 0.12 -0.25 3.23 2.86 -0.98 0.75 114.93 119.69 1x40 h MET 23 Ca -0.38 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.22 1x40 h MET 23 Cb 1.36 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.98 1x40 h MET 23 CO -0.22 0.08 0.02 1.03 1.06 0.00 0.00 176.91 178.88 1x40 h SER 24 N 0.13 0.42 0.20 1.22 0.87 -1.54 -2.87 113.55 111.97 1x40 h SER 24 Ca 0.37 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1x40 h SER 24 Cb 1.28 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1x40 h SER 24 CO -0.05 0.60 -0.19 2.30 -0.53 0.00 0.00 176.83 178.95 1x40 n ILE 25 N -4.66 0.00 -2.73 2.23 -5.35 -0.21 -4.94 119.36 103.71 1x40 n ILE 25 Ca -0.03 -0.15 -0.06 0.00 -0.27 0.00 0.00 62.75 62.24 1x40 n ILE 25 Cb 0.22 0.37 0.02 0.00 -1.74 0.00 0.00 39.64 38.51 1x40 n ILE 25 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1x40 n ASN 26 N -0.51 -3.07 -0.43 7.28 2.85 0.23 -4.96 115.26 116.65 1x40 n ASN 26 Ca 0.14 -0.13 0.07 0.00 -0.11 0.00 0.00 54.58 54.55 1x40 n ASN 26 Cb 0.34 -1.66 0.18 0.00 1.24 0.00 0.00 39.78 39.88 1x40 n ASN 26 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1x40 n LEU 27 N -1.59 2.80 0.17 1.20 7.99 0.52 -4.70 117.00 123.38 1x40 n LEU 27 Ca -0.00 -3.42 0.11 0.00 -0.01 0.00 0.00 56.01 52.69 1x40 n LEU 27 Cb 0.52 -0.49 0.58 0.00 -0.11 0.00 0.00 43.42 43.92 1x40 n LEU 27 CO 0.16 0.99 0.84 1.05 -1.51 0.00 0.00 177.39 178.92 1x40 h GLU 28 N 0.61 0.00 -0.09 3.23 4.11 -1.91 -1.13 114.58 119.41 1x40 h GLU 28 Ca 0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.43 1x40 h GLU 28 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1x40 h GLU 28 CO 0.06 0.00 -0.07 -0.56 0.07 0.00 0.00 179.01 178.51 1x40 h GLN 29 N 0.00 0.12 0.00 1.06 3.07 -1.94 -1.52 115.11 115.90 1x40 h GLN 29 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1x40 h GLN 29 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1x40 h GLN 29 CO 0.00 0.20 -0.61 1.88 0.09 0.00 0.00 178.83 180.40 1x40 h TYR 30 N 0.12 0.00 -0.76 0.06 0.05 -1.60 -3.39 116.97 111.46 1x40 h TYR 30 Ca 0.03 0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.88 1x40 h TYR 30 Cb 0.21 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 37.86 1x40 h TYR 30 CO 0.00 0.00 -0.45 -0.11 -1.05 0.00 0.00 178.16 176.55 1x40 n LEU 31 N -2.45 -0.80 -0.33 3.88 7.94 -0.57 0.15 117.00 124.81 1x40 n LEU 31 Ca 0.02 1.45 0.22 0.00 -1.11 0.00 0.00 56.01 56.59 1x40 n LEU 31 Cb 0.49 -0.22 0.45 0.00 0.53 0.00 0.00 43.42 44.66 1x40 n LEU 31 CO 0.37 -1.15 1.11 0.25 -1.11 0.00 0.00 177.39 176.86 1x40 h LEU 32 N 0.00 0.50 -0.65 -1.96 7.12 -1.75 0.70 115.31 119.27 1x40 h LEU 32 Ca 0.12 0.18 -0.12 0.00 0.13 0.00 0.00 57.88 58.20 1x40 h LEU 32 Cb 0.31 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.56 1x40 h LEU 32 CO -0.71 -0.10 -0.20 0.45 -0.13 0.00 0.00 178.44 177.75 1x40 h HIS 33 N 0.36 0.96 -0.08 1.25 3.86 0.11 -2.23 115.15 119.37 1x40 h HIS 33 Ca 0.71 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.69 1x40 h HIS 33 Cb 1.56 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 29.80 1x40 h HIS 33 CO -0.03 0.97 0.00 0.74 0.86 0.00 0.00 177.93 180.47 1x40 h PHE 34 N 0.74 0.16 0.18 2.45 -1.00 0.19 -2.48 116.94 117.19 1x40 h PHE 34 Ca 0.10 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.85 1x40 h PHE 34 Cb 0.73 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.25 1x40 h PHE 34 CO 0.04 0.41 -0.10 0.45 -1.61 0.00 0.00 178.31 177.50 1x40 h HIS 35 N -0.13 -0.27 -1.13 -0.55 3.86 -0.98 0.21 115.15 116.16 1x40 h HIS 35 Ca 0.02 -0.00 0.40 0.00 -1.16 0.00 0.00 60.37 59.63 1x40 h HIS 35 Cb 0.34 0.09 -0.15 0.00 1.06 0.00 0.00 27.41 28.75 1x40 h HIS 35 CO 0.03 -0.16 0.67 0.93 0.86 0.00 0.00 177.93 180.27 1x40 h GLU 36 N -0.26 0.11 -0.51 2.45 4.39 -1.51 1.31 114.58 120.56 1x40 h GLU 36 Ca -0.02 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 1x40 h GLU 36 Cb 0.21 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1x40 h GLU 36 CO 0.03 0.07 -0.05 0.77 -1.16 0.00 0.00 179.01 178.68 1x40 h SER 37 N 0.12 0.87 0.00 1.42 0.02 -1.16 -3.47 113.55 111.35 1x40 h SER 37 Ca 0.81 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.51 1x40 h SER 37 Cb 2.24 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.54 1x40 h SER 37 CO -0.59 0.96 0.00 0.61 -1.14 0.00 0.00 176.83 176.67 1x40 n GLY 38 N -0.48 1.29 3.09 -3.77 0.00 0.45 -5.10 105.19 100.68 1x40 n GLY 38 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.29 3.44 -0.20 1.61 0.08 0.65 -4.94 117.98 117.32 1x40 s PHE 39 Ca 0.00 -2.39 0.07 0.00 0.12 0.00 0.00 56.93 54.72 1x40 s PHE 39 Cb 0.00 -2.41 -0.21 0.00 -0.57 0.00 0.00 43.02 39.83 1x40 s PHE 39 CO 0.00 -0.89 0.04 0.25 -0.10 0.00 0.00 175.22 174.52 1x40 n THR 40 N 4.46 1.52 -4.53 0.64 -2.24 -1.26 -3.27 114.28 109.59 1x40 n THR 40 Ca -0.08 -0.69 -0.25 0.00 -2.27 0.00 0.00 64.05 60.76 1x40 n THR 40 Cb 0.42 -1.14 -0.11 0.00 -2.10 0.00 0.00 70.33 67.41 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 -2.52 1.69 0.29 4.28 -4.23 -1.26 -0.04 115.64 113.85 1x40 s THR 41 Ca -0.22 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.25 1x40 s THR 41 Cb 0.08 -2.82 0.15 0.00 1.34 0.00 0.00 72.50 71.25 1x40 s THR 41 CO 0.72 -0.06 1.84 0.58 -0.54 0.00 0.00 174.62 177.15 1x40 h VAL 42 N 1.99 1.22 -0.07 2.29 2.07 -0.84 -2.01 116.25 120.89 1x40 h VAL 42 Ca -0.42 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.31 1x40 h VAL 42 Cb 1.24 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1x40 h VAL 42 CO 0.74 0.29 0.12 0.50 0.02 0.00 0.00 177.57 179.25 1x40 h LYS 43 N 0.72 0.00 0.00 1.57 1.63 -1.97 0.31 116.57 118.84 1x40 h LYS 43 Ca 0.16 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1x40 h LYS 43 Cb 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1x40 h LYS 43 CO 0.00 0.00 0.00 -0.25 -3.45 0.00 0.00 179.45 175.75 1x40 n ASP 44 N -3.51 0.17 -1.24 4.20 9.92 -0.76 -2.73 116.55 122.60 1x40 n ASP 44 Ca -0.01 0.52 0.08 0.00 -0.53 0.00 0.00 54.79 54.86 1x40 n ASP 44 Cb 0.21 -0.57 0.28 0.00 -0.64 0.00 0.00 41.12 40.40 1x40 n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x40 h ALA 46 N 3.95 1.10 -0.31 0.00 0.00 -1.61 -2.74 119.26 119.65 1x40 h ALA 46 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1x40 h ALA 46 Cb 1.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1x40 h ALA 46 CO 0.11 0.27 0.01 0.00 0.00 0.00 0.00 179.25 179.64 1x40 n ALA 47 N -2.25 3.30 -2.90 0.00 0.00 -1.26 -5.00 120.51 112.39 1x40 n ALA 47 Ca -0.01 -2.43 -0.32 0.00 0.00 0.00 0.00 53.44 50.68 1x40 n ALA 47 Cb 0.38 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 19.03 1x40 n ALA 47 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x40 s ILE 48 N -2.91 5.39 0.07 0.00 1.01 -1.03 -5.09 121.20 118.64 1x40 s ILE 48 Ca 0.44 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 1x40 s ILE 48 Cb 0.36 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1x40 s ILE 48 CO 0.08 0.18 0.00 0.20 0.00 0.00 0.00 174.94 175.40 1x40 s ASN 49 N -2.38 0.43 0.28 3.58 0.01 -1.26 -5.02 114.94 110.58 1x40 s ASN 49 Ca 0.34 -1.03 -0.01 0.00 -0.71 0.00 0.00 52.86 51.44 1x40 s ASN 49 Cb -0.13 0.23 0.62 0.00 0.41 0.00 0.00 41.25 42.38 1x40 s ASN 49 CO 0.26 -0.64 1.63 0.44 -1.51 0.00 0.00 177.10 177.28 1x40 h ASP 50 N 3.06 -0.18 -0.53 -1.22 5.19 -2.00 0.91 116.42 121.66 1x40 h ASP 50 Ca -0.34 0.21 0.13 0.00 -0.62 0.00 0.00 57.03 56.40 1x40 h ASP 50 Cb 1.16 0.32 -0.03 0.00 0.18 0.00 0.00 39.33 40.96 1x40 h ASP 50 CO 0.64 -0.19 0.37 0.28 -3.12 0.00 0.00 179.24 177.22 1x40 h SER 51 N 0.15 0.13 0.00 6.45 0.02 -1.99 -1.86 113.55 116.45 1x40 h SER 51 Ca 0.51 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.42 1x40 h SER 51 Cb 1.00 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1x40 h SER 51 CO -0.69 0.08 -0.17 0.25 -1.14 0.00 0.00 176.83 175.15 1x40 h LEU 52 N 0.15 0.15 -0.52 5.07 5.85 0.42 -3.08 115.31 123.34 1x40 h LEU 52 Ca 0.25 -0.79 0.10 0.00 0.84 0.00 0.00 57.88 58.29 1x40 h LEU 52 Cb 0.81 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.70 1x40 h LEU 52 CO -0.03 0.92 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.88 1x40 h LEU 53 N -0.60 -0.30 -0.08 2.25 -0.00 -0.57 0.67 115.31 116.68 1x40 h LEU 53 Ca -0.02 0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 1x40 h LEU 53 Cb 0.95 0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1x40 h LEU 53 CO 0.03 -0.11 0.00 0.00 -0.00 0.00 0.00 178.44 178.37 1x40 n GLN 54 N -5.28 0.02 0.02 1.13 10.64 -0.84 -2.49 117.38 120.58 1x40 n GLN 54 Ca 0.06 0.30 -0.20 0.00 -1.83 0.00 0.00 57.00 55.33 1x40 n GLN 54 Cb 0.29 -1.54 -0.14 0.00 -0.86 0.00 0.00 30.24 27.98 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 0.26 -0.13 2.61 3.64 0.36 -3.36 116.57 119.95 1x40 h LYS 55 Ca 0.00 -0.44 -0.05 0.00 -1.27 0.00 0.00 60.65 58.89 1x40 h LYS 55 Cb 0.23 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1x40 h LYS 55 CO 0.00 1.16 -0.12 -0.84 -2.27 0.00 0.00 179.45 177.37 1x40 h ILE 56 N 0.07 1.16 0.00 2.00 3.07 -0.77 -3.46 117.51 119.59 1x40 h ILE 56 Ca -0.39 -0.73 0.00 0.00 1.55 0.00 0.00 64.86 65.29 1x40 h ILE 56 Cb 2.04 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 39.80 1x40 h ILE 56 CO 0.11 0.22 0.00 0.61 -1.05 0.00 0.00 178.15 178.04 1x40 n GLY 57 N -0.93 1.49 2.73 0.16 0.00 -1.17 -4.99 105.19 102.47 1x40 n GLY 57 Ca -0.01 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 0.15 -0.61 5.41 -1.09 -4.76 119.36 118.47 1x40 n ILE 58 Ca 0.00 -0.16 -0.10 0.00 1.00 0.00 0.00 62.75 63.49 1x40 n ILE 58 Cb 0.00 -0.23 -0.06 0.00 -0.71 0.00 0.00 39.64 38.64 1x40 n ILE 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1x40 h SER 59 N 9.04 -0.39 -4.08 4.38 0.02 -1.89 -3.39 113.55 117.25 1x40 h SER 59 Ca -0.01 -0.12 -0.50 0.00 -0.84 0.00 0.00 61.79 60.32 1x40 h SER 59 Cb 0.97 0.10 0.07 0.00 0.14 0.00 0.00 62.40 63.68 1x40 h SER 59 CO 1.16 0.07 0.44 -2.16 -1.14 0.00 0.00 176.83 175.19 1x40 s PRO 60 N -3.63 3.39 -0.19 3.45 0.04 -1.26 -5.00 135.00 131.80 1x40 s PRO 60 Ca -0.11 1.62 -0.18 0.00 0.04 0.00 0.00 61.00 62.38 1x40 s PRO 60 Cb 0.01 -2.03 -0.20 0.00 0.04 0.00 0.00 34.50 32.31 1x40 s PRO 60 CO 0.37 -0.82 0.20 2.41 0.04 0.00 0.00 177.00 179.20 1x40 n THR 61 N -1.24 1.59 -0.34 1.26 -1.04 -1.26 -3.60 114.28 109.65 1x40 n THR 61 Ca 0.11 -0.19 0.31 0.00 -2.04 0.00 0.00 64.05 62.24 1x40 n THR 61 Cb 0.51 -1.96 0.53 0.00 -1.82 0.00 0.00 70.33 67.59 1x40 n THR 61 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x40 n GLY 62 N 1.55 -0.67 0.10 3.41 0.00 -1.26 0.22 105.19 108.55 1x40 n GLY 62 Ca -0.34 0.65 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 0.31 -0.87 1.61 -0.00 -2.00 -3.15 115.15 111.05 1x40 h HIS 63 Ca 0.72 -0.23 0.04 0.00 -0.00 0.00 0.00 60.37 60.90 1x40 h HIS 63 Cb 2.17 -0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 29.51 1x40 h HIS 63 CO -0.01 1.29 0.56 -0.09 -0.00 0.00 0.00 177.93 179.69 1x40 h ARG 64 N 0.05 1.05 -0.11 2.45 2.43 0.27 -0.87 114.38 119.64 1x40 h ARG 64 Ca -0.24 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.75 1x40 h ARG 64 Cb 1.99 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 31.30 1x40 h ARG 64 CO 0.14 0.69 -0.38 0.00 -1.51 0.00 0.00 179.97 178.92 1x40 h ARG 65 N 1.08 0.46 -1.01 0.20 3.08 -1.26 -3.11 114.38 113.82 1x40 h ARG 65 Ca 0.35 -0.34 0.08 0.00 0.07 0.00 0.00 59.98 60.15 1x40 h ARG 65 Cb 0.03 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.06 1x40 h ARG 65 CO -0.12 0.96 0.64 -0.09 -1.07 0.00 0.00 179.97 180.29 1x40 h ARG 66 N 0.04 1.08 0.63 0.04 2.43 -1.43 -0.00 114.38 117.16 1x40 h ARG 66 Ca -0.01 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1x40 h ARG 66 Cb 1.00 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1x40 h ARG 66 CO 0.08 0.72 -0.34 0.82 -1.51 0.00 0.00 179.97 179.74 1x40 h ILE 67 N 1.12 0.31 -0.89 1.20 2.04 -1.17 -2.90 117.51 117.22 1x40 h ILE 67 Ca 0.46 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.35 1x40 h ILE 67 Cb 0.28 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.62 1x40 h ILE 67 CO -0.21 0.00 0.58 -0.07 0.00 0.00 0.00 178.15 178.45 1x40 h LEU 68 N -0.89 0.96 -0.69 1.44 3.38 -1.42 -2.32 115.31 115.78 1x40 h LEU 68 Ca -0.08 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1x40 h LEU 68 Cb 0.70 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 1x40 h LEU 68 CO 0.11 0.67 -0.55 0.50 0.09 0.00 0.00 178.44 179.26 1x40 h LYS 69 N 1.13 -0.17 -0.77 1.13 1.63 -0.80 0.18 116.57 118.90 1x40 h LYS 69 Ca 0.35 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 60.11 1x40 h LYS 69 Cb -0.02 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 1x40 h LYS 69 CO -0.11 -0.12 0.27 1.96 -3.45 0.00 0.00 179.45 178.00 1x40 h GLN 70 N -0.18 1.17 -0.87 1.90 1.08 -1.40 -2.72 115.11 114.09 1x40 h GLN 70 Ca 0.11 -0.23 0.14 0.00 -1.45 0.00 0.00 58.65 57.22 1x40 h GLN 70 Cb 0.48 -0.18 -0.09 0.00 -0.05 0.00 0.00 27.48 27.64 1x40 h GLN 70 CO -0.74 0.97 0.47 -0.07 -0.95 0.00 0.00 178.83 178.51 1x40 h LEU 71 N 1.13 0.60 0.44 1.46 3.38 -0.35 0.17 115.31 122.13 1x40 h LEU 71 Ca 0.25 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 1x40 h LEU 71 Cb 0.27 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1x40 h LEU 71 CO -0.01 0.27 -0.21 1.56 0.09 0.00 0.00 178.44 180.13 1x40 h GLN 72 N 0.68 -0.56 -0.28 1.13 4.20 -0.45 0.27 115.11 120.11 1x40 h GLN 72 Ca 0.47 0.04 0.05 0.00 0.06 0.00 0.00 58.65 59.27 1x40 h GLN 72 Cb 0.63 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.48 1x40 h GLN 72 CO -0.34 -0.27 -0.06 0.82 -0.67 0.00 0.00 178.83 178.31 1x40 h ILE 73 N -0.82 0.73 0.67 2.54 2.04 -1.23 -0.84 117.51 120.59 1x40 h ILE 73 Ca -0.06 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1x40 h ILE 73 Cb 0.55 0.72 0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1x40 h ILE 73 CO 0.10 0.00 -0.32 0.40 0.00 0.00 0.00 178.15 178.33 1x40 h ILE 74 N 0.01 0.22 -1.19 -0.67 2.04 -0.68 -2.91 117.51 114.34 1x40 h ILE 74 Ca 0.13 -0.23 0.35 0.00 1.00 0.00 0.00 64.86 66.11 1x40 h ILE 74 Cb 0.20 0.28 -0.10 0.00 -0.74 0.00 0.00 36.82 36.46 1x40 h ILE 74 CO -0.28 0.02 0.78 -0.07 0.00 0.00 0.00 178.15 178.60 1x40 h LEU 75 N -1.09 0.31 -0.34 1.44 3.38 -0.32 0.27 115.31 118.95 1x40 h LEU 75 Ca -0.09 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1x40 h LEU 75 Cb 0.73 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1x40 h LEU 75 CO 0.15 -0.03 0.12 -1.28 0.09 0.00 0.00 178.44 177.49 1x40 h SER 76 N 0.22 0.14 -0.65 -0.43 0.87 -0.94 -1.77 113.55 110.98 1x40 h SER 76 Ca 0.69 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 61.32 1x40 h SER 76 Cb 2.06 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 64.00 1x40 h SER 76 CO -0.31 0.12 0.43 0.11 -0.53 0.00 0.00 176.83 176.65 1x40 h LYS 77 N 0.27 0.74 -4.86 2.24 1.57 -0.45 -3.32 116.57 112.76 1x40 h LYS 77 Ca 0.15 -0.04 -0.52 0.00 -1.87 0.00 0.00 60.65 58.37 1x40 h LYS 77 Cb 0.12 -0.17 0.06 0.00 0.08 0.00 0.00 32.23 32.32 1x40 h LYS 77 CO -0.15 0.49 1.60 -1.33 -0.57 0.00 0.00 179.45 179.49 1x40 n MET 78 N -4.46 0.94 -3.84 3.15 2.81 -0.67 -4.88 117.12 110.16 1x40 n MET 78 Ca 0.08 -1.69 -0.28 0.00 -1.81 0.00 0.00 57.70 54.01 1x40 n MET 78 Cb 0.14 -3.03 -0.03 0.00 -0.71 0.00 0.00 33.22 29.59 1x40 n MET 78 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1x40 s GLN 79 N 6.18 3.48 0.00 0.03 2.00 -1.25 -4.98 119.66 125.11 1x40 s GLN 79 Ca 0.65 -0.46 -0.05 0.00 -2.00 0.00 0.00 55.36 53.50 1x40 s GLN 79 Cb 0.10 -2.93 -0.21 0.00 0.80 0.00 0.00 33.01 30.77 1x40 s GLN 79 CO 0.20 0.49 3.12 -0.40 -0.50 0.00 0.00 175.29 178.20 1x40 n ASP 80 N -0.42 4.70 -4.34 6.67 5.68 -1.26 -4.83 116.55 122.76 1x40 n ASP 80 Ca -0.06 -2.36 -0.28 0.00 -0.50 0.00 0.00 54.79 51.59 1x40 n ASP 80 Cb 0.53 -1.24 -0.13 0.00 -1.14 0.00 0.00 41.12 39.14 1x40 n ASP 80 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1x40 s ILE 81 N 1.09 2.03 0.89 2.12 -4.36 -1.26 -4.95 121.20 116.77 1x40 s ILE 81 Ca 0.53 -1.55 -0.11 0.00 -0.26 0.00 0.00 60.65 59.25 1x40 s ILE 81 Cb 0.25 -1.79 0.13 0.00 1.25 0.00 0.00 42.46 42.30 1x40 s ILE 81 CO 0.00 0.14 1.09 -2.16 0.24 0.00 0.00 174.94 174.25 1x40 s PRO 82 N -1.71 1.30 -0.20 0.37 0.04 -1.26 -4.98 135.00 128.55 1x40 s PRO 82 Ca 0.11 0.83 -0.28 0.00 0.04 0.00 0.00 61.00 61.70 1x40 s PRO 82 Cb -0.10 -1.81 -0.00 0.00 0.04 0.00 0.00 34.50 32.63 1x40 s PRO 82 CO 0.04 -2.21 0.97 0.42 0.04 0.00 0.00 177.00 176.25 1x40 s ILE 83 N -2.94 4.76 -0.27 0.56 -1.09 -1.26 -5.01 121.20 115.95 1x40 s ILE 83 Ca 0.63 1.89 -0.24 0.00 -2.23 0.00 0.00 60.65 60.71 1x40 s ILE 83 Cb -0.18 -4.25 0.08 0.00 -1.58 0.00 0.00 42.46 36.53 1x40 s ILE 83 CO 0.57 -0.09 0.76 -0.72 -1.23 0.00 0.00 174.94 174.22 1x40 s TYR 84 N 2.75 -0.79 -1.57 3.97 1.13 -1.26 -4.94 117.35 116.64 1x40 s TYR 84 Ca 0.42 1.86 -0.14 0.00 -1.41 0.00 0.00 57.07 57.80 1x40 s TYR 84 Cb -0.16 0.34 0.10 0.00 -1.10 0.00 0.00 41.96 41.14 1x40 s TYR 84 CO 0.10 -0.38 0.93 0.00 -2.51 0.00 0.00 175.55 173.68 1x40 n ALA 85 N 2.89 -1.31 -1.77 9.51 0.00 -1.26 -4.81 120.51 123.76 1x40 n ALA 85 Ca -0.15 0.13 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 1x40 n ALA 85 Cb 0.56 -4.16 -0.03 0.00 0.00 0.00 0.00 19.45 15.82 1x40 n ALA 85 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x40 s SER 86 N -3.35 4.94 0.00 0.00 0.01 -1.26 -4.11 113.70 109.93 1x40 s SER 86 Ca 0.66 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.84 1x40 s SER 86 Cb -0.34 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.38 1x40 s SER 86 CO 0.85 -2.52 0.00 0.61 0.41 0.00 0.00 173.24 172.59 1x40 n GLY 87 N 5.83 1.69 3.71 3.44 0.00 -1.26 -5.07 105.19 113.53 1x40 n GLY 87 Ca 0.29 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 1x40 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x40 s PRO 88 N 0.00 1.17 0.01 1.61 0.04 -1.26 -5.07 135.00 131.50 1x40 s PRO 88 Ca 0.00 0.79 0.07 0.00 0.04 0.00 0.00 61.00 61.90 1x40 s PRO 88 Cb 0.00 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 1x40 s PRO 88 CO 0.00 -2.29 -0.22 -1.54 0.04 0.00 0.00 177.00 172.99 1x40 s SER 89 N -3.43 3.41 0.18 6.66 1.04 -1.26 -4.86 113.70 115.44 1x40 s SER 89 Ca 0.64 -0.45 -0.32 0.00 0.48 0.00 0.00 55.95 56.30 1x40 s SER 89 Cb -0.18 -0.47 -0.12 0.00 0.10 0.00 0.00 66.02 65.35 1x40 s SER 89 CO 0.57 0.29 1.76 -0.24 0.98 0.00 0.00 173.24 176.61 1x40 n SER 90 N 2.04 4.00 0.00 7.02 2.88 -1.26 -5.22 113.62 123.08 1x40 n SER 90 Ca -0.16 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 1x40 n SER 90 Cb 0.52 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 1x40 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42