#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s62 h GLU 2 N 0.00 -0.29 0.00 0.00 -0.00 -2.12 -3.46 114.58 108.71 1s62 h GLU 2 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.38 1s62 h GLU 2 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 28.75 28.82 1s62 h GLU 2 CO 0.00 0.08 0.00 1.19 -0.00 0.00 0.00 179.01 180.28 1s62 n PHE 3 N -5.02 0.00 0.00 2.06 3.72 -1.26 -4.66 117.46 112.30 1s62 n PHE 3 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1s62 n PHE 3 Cb 0.26 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1s62 n PHE 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s62 n GLY 4 N 0.00 -0.37 2.87 1.37 0.00 -1.26 -5.12 105.19 102.67 1s62 n GLY 4 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 1s62 n GLY 4 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1s62 s ASN 5 N -4.00 0.25 -0.50 1.61 3.84 -1.26 -5.11 114.94 109.77 1s62 s ASN 5 Ca 0.00 -0.02 -0.25 0.00 0.21 0.00 0.00 52.86 52.80 1s62 s ASN 5 Cb 0.00 -0.07 0.03 0.00 -0.55 0.00 0.00 41.25 40.66 1s62 s ASN 5 CO 0.00 -0.02 0.91 -0.89 -2.79 0.00 0.00 177.10 174.32 1s62 s THR 6 N 0.31 4.46 0.15 -5.21 2.01 -1.26 -5.02 115.64 111.07 1s62 s THR 6 Ca -0.03 0.51 0.11 0.00 0.31 0.00 0.00 61.69 62.59 1s62 s THR 6 Cb -0.05 -4.47 -0.04 0.00 0.01 0.00 0.00 72.50 67.95 1s62 s THR 6 CO -0.01 -0.94 -0.26 -1.59 -0.69 0.00 0.00 174.62 171.13 1s62 s LYS 7 N 3.78 1.44 -0.17 4.92 -2.85 -1.26 -5.13 119.74 120.47 1s62 s LYS 7 Ca 0.33 -1.40 -0.10 0.00 -1.00 0.00 0.00 55.97 53.79 1s62 s LYS 7 Cb -0.11 -1.89 0.05 0.00 -2.06 0.00 0.00 37.83 33.83 1s62 s LYS 7 CO 0.23 0.43 0.41 1.21 0.10 0.00 0.00 175.35 177.74 1s62 s ASN 8 N -2.25 -0.50 0.00 0.03 3.84 -1.26 -5.02 114.94 109.78 1s62 s ASN 8 Ca 0.16 0.89 0.00 0.00 0.21 0.00 0.00 52.86 54.12 1s62 s ASN 8 Cb -0.09 0.79 0.00 0.00 -0.55 0.00 0.00 41.25 41.40 1s62 s ASN 8 CO 0.07 -0.18 0.80 -3.20 -2.79 0.00 0.00 177.10 171.80 1s62 n ASN 9 N 3.94 0.00 0.00 -4.21 2.85 -1.26 -5.09 115.26 111.50 1s62 n ASN 9 Ca -0.21 -1.64 0.00 0.00 -0.11 0.00 0.00 54.58 52.62 1s62 n ASN 9 Cb 0.56 -0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.45 1s62 n ASN 9 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1s62 n GLY 10 N 0.00 1.25 3.15 8.20 0.00 -1.26 -4.35 105.19 112.18 1s62 n GLY 10 Ca 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 1s62 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s62 s ALA 11 N -1.00 -1.28 0.00 4.61 0.00 -1.26 -5.08 121.76 117.76 1s62 s ALA 11 Ca 0.00 1.37 -0.02 0.00 0.00 0.00 0.00 51.96 53.31 1s62 s ALA 11 Cb 0.00 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 1s62 s ALA 11 CO 0.00 -1.00 0.81 0.66 0.00 0.00 0.00 175.76 176.24 1s62 h SER 12 N 8.15 -0.05 0.00 0.00 4.64 -2.04 -3.50 113.55 120.76 1s62 h SER 12 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1s62 h SER 12 Cb 1.13 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1s62 h SER 12 CO 0.19 -0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1s62 n GLY 13 N -0.40 0.44 0.34 -0.77 0.00 -1.26 -4.96 105.19 98.58 1s62 n GLY 13 Ca -0.01 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 45.96 1s62 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s62 h ALA 14 N 0.00 1.35 -0.02 4.61 0.00 -1.98 -1.29 119.26 121.93 1s62 h ALA 14 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1s62 h ALA 14 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1s62 h ALA 14 CO 0.00 0.20 -0.04 0.38 0.00 0.00 0.00 179.25 179.79 1s62 h ASP 15 N 0.93 -0.12 -0.43 0.00 3.04 -1.98 0.27 116.42 118.13 1s62 h ASP 15 Ca 0.45 0.02 -0.02 0.00 -3.24 0.00 0.00 57.03 54.24 1s62 h ASP 15 Cb 0.39 0.06 -0.02 0.00 -1.04 0.00 0.00 39.33 38.72 1s62 h ASP 15 CO -0.24 -0.06 0.19 0.40 -2.04 0.00 0.00 179.24 177.48 1s62 h ILE 16 N -0.07 1.19 -0.18 4.15 2.04 -1.86 0.37 117.51 123.16 1s62 h ILE 16 Ca 0.02 -0.56 -0.07 0.00 1.00 0.00 0.00 64.86 65.25 1s62 h ILE 16 Cb 0.10 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1s62 h ILE 16 CO -0.06 0.21 -0.21 -1.13 0.00 0.00 0.00 178.15 176.96 1s62 h ASN 17 N 0.55 0.30 0.01 1.72 -0.73 -1.06 -1.13 115.58 115.24 1s62 h ASN 17 Ca 0.15 -0.08 -0.00 0.00 1.87 0.00 0.00 56.30 58.23 1s62 h ASN 17 Cb 0.15 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.66 1s62 h ASN 17 CO -0.02 0.53 -0.01 -1.13 -0.37 0.00 0.00 177.43 176.44 1s62 h ASN 18 N 0.28 -0.01 -0.31 1.15 -1.24 -0.04 -1.40 115.58 114.01 1s62 h ASN 18 Ca 0.05 -0.47 -0.03 0.00 0.71 0.00 0.00 56.30 56.55 1s62 h ASN 18 Cb 0.54 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.57 1s62 h ASN 18 CO 0.04 0.47 0.09 0.10 -1.29 0.00 0.00 177.43 176.83 1s62 h TYR 19 N -0.50 0.57 -0.54 0.67 -0.00 -0.81 0.23 116.97 116.59 1s62 h TYR 19 Ca -0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 58.73 58.59 1s62 h TYR 19 Cb 0.48 -0.17 -0.02 0.00 0.00 0.00 0.00 36.73 37.02 1s62 h TYR 19 CO 0.09 0.50 -0.07 0.00 -0.00 0.00 0.00 178.16 178.68 1s62 h ALA 20 N 1.55 0.74 -0.14 0.10 0.00 -1.20 -2.72 119.26 117.59 1s62 h ALA 20 Ca 0.13 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1s62 h ALA 20 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1s62 h ALA 20 CO -0.00 0.62 -0.37 0.78 0.00 0.00 0.00 179.25 180.27 1s62 h GLY 21 N 0.88 0.33 1.41 0.00 0.00 -0.31 -2.86 103.07 102.51 1s62 h GLY 21 Ca 0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 1s62 h GLY 21 CO 0.04 0.27 0.34 1.46 0.00 0.00 0.00 176.54 178.66 1s62 h GLN 22 N 0.26 0.78 -0.78 4.80 1.08 -0.28 0.20 115.11 121.16 1s62 h GLN 22 Ca 0.03 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1s62 h GLN 22 Cb 0.78 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 28.01 1s62 h GLN 22 CO 0.06 0.55 0.36 0.82 -0.95 0.00 0.00 178.83 179.68 1s62 h ILE 23 N 0.80 1.25 -0.12 2.54 1.08 -1.27 -2.27 117.51 119.52 1s62 h ILE 23 Ca 0.21 -0.73 -0.02 0.00 -0.39 0.00 0.00 64.86 63.93 1s62 h ILE 23 Cb -0.02 0.28 -0.00 0.00 -3.07 0.00 0.00 36.82 34.00 1s62 h ILE 23 CO -0.04 0.31 0.00 0.11 -0.69 0.00 0.00 178.15 177.84 1s62 h LYS 24 N 1.11 0.21 -0.87 2.37 1.57 -1.20 -2.74 116.57 117.03 1s62 h LYS 24 Ca 0.27 -0.07 0.14 0.00 -1.87 0.00 0.00 60.65 59.12 1s62 h LYS 24 Cb 0.14 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 1s62 h LYS 24 CO -0.03 0.45 0.56 0.77 -0.57 0.00 0.00 179.45 180.63 1s62 h SER 25 N -0.05 0.62 -0.55 0.86 0.02 -0.75 0.59 113.55 114.29 1s62 h SER 25 Ca 0.03 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 1s62 h SER 25 Cb 0.35 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1s62 h SER 25 CO 0.01 0.32 -0.10 0.00 -1.14 0.00 0.00 176.83 175.91 1s62 h ALA 26 N 1.60 0.78 0.06 3.77 0.00 -1.30 -3.09 119.26 121.08 1s62 h ALA 26 Ca 0.43 -0.35 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 1s62 h ALA 26 Cb 0.72 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.34 1s62 h ALA 26 CO -0.19 0.67 -0.94 0.82 0.00 0.00 0.00 179.25 179.62 1s62 h ILE 27 N 0.92 1.36 -0.93 0.00 2.04 -0.68 -3.31 117.51 116.92 1s62 h ILE 27 Ca 0.14 -2.31 0.11 0.00 1.00 0.00 0.00 64.86 63.81 1s62 h ILE 27 Cb 0.67 2.69 -0.07 0.00 -0.74 0.00 0.00 36.82 39.36 1s62 h ILE 27 CO 0.05 0.69 0.60 -0.33 0.00 0.00 0.00 178.15 179.15 1s62 h GLU 28 N 0.07 0.88 -0.61 2.37 5.08 0.06 -0.19 114.58 122.24 1s62 h GLU 28 Ca -0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1s62 h GLU 28 Cb 1.64 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1s62 h GLU 28 CO 0.18 0.58 0.00 0.43 -1.00 0.00 0.00 179.01 179.20 1s62 n SER 29 N -4.56 3.33 -1.75 1.42 7.64 -1.17 -3.68 113.62 114.86 1s62 n SER 29 Ca 0.17 -2.32 -0.02 0.00 1.01 0.00 0.00 58.87 57.71 1s62 n SER 29 Cb 0.34 -0.48 0.01 0.00 -1.01 0.00 0.00 64.21 63.08 1s62 n SER 29 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1s62 n LYS 30 N 0.62 0.53 0.00 1.43 5.02 -0.43 -5.00 118.16 120.34 1s62 n LYS 30 Ca 0.17 -1.70 -0.11 0.00 -2.02 0.00 0.00 58.31 54.66 1s62 n LYS 30 Cb 0.64 0.03 -0.05 0.00 -0.02 0.00 0.00 35.03 35.63 1s62 n LYS 30 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1s62 h PHE 31 N 0.87 -0.01 0.00 2.13 -0.00 -1.16 -3.41 116.94 115.35 1s62 h PHE 31 Ca -0.39 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.59 1s62 h PHE 31 Cb 1.50 0.02 0.00 0.00 -0.00 0.00 0.00 35.95 37.47 1s62 h PHE 31 CO 0.04 -0.02 0.00 0.98 -0.00 0.00 0.00 178.31 179.31 1s62 n TYR 32 N -5.12 0.00 -1.86 6.09 4.19 -1.26 -1.06 117.16 118.15 1s62 n TYR 32 Ca -0.05 0.00 0.02 0.00 3.31 0.00 0.00 57.90 61.18 1s62 n TYR 32 Cb 0.06 0.00 0.02 0.00 0.49 0.00 0.00 39.34 39.92 1s62 n TYR 32 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1s62 n ASP 33 N 1.56 0.42 -0.06 2.98 2.03 -1.26 -4.85 116.55 117.37 1s62 n ASP 33 Ca 0.00 -2.19 -0.05 0.00 0.52 0.00 0.00 54.79 53.08 1s62 n ASP 33 Cb 0.00 -0.24 -0.04 0.00 -0.72 0.00 0.00 41.12 40.12 1s62 n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s62 h ALA 34 N 0.03 0.00 0.00 -1.67 0.00 -1.40 -3.36 119.26 112.86 1s62 h ALA 34 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1s62 h ALA 34 Cb 1.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1s62 h ALA 34 CO 0.00 0.03 0.00 0.77 0.00 0.00 0.00 179.25 180.06 1s62 h SER 35 N -1.00 0.00 1.25 0.00 0.02 -1.84 -3.17 113.55 108.81 1s62 h SER 35 Ca -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1s62 h SER 35 Cb 0.33 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 1s62 h SER 35 CO -0.00 0.00 -0.03 0.77 -1.14 0.00 0.00 176.83 176.43 1s62 h SER 36 N 0.00 0.00 -2.15 3.07 4.64 -1.85 -3.36 113.55 113.89 1s62 h SER 36 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1s62 h SER 36 Cb 0.28 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.96 1s62 h SER 36 CO 0.00 0.03 -0.82 -1.22 -0.87 0.00 0.00 176.83 173.95 1s62 n TYR 37 N -3.12 2.42 -2.19 4.77 4.01 -1.20 -5.06 117.16 116.78 1s62 n TYR 37 Ca 0.01 -3.93 -0.42 0.00 -0.16 0.00 0.00 57.90 53.39 1s62 n TYR 37 Cb 0.38 -0.47 -0.03 0.00 -0.31 0.00 0.00 39.34 38.91 1s62 n TYR 37 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s62 s ALA 38 N -2.60 3.62 0.00 -0.72 0.00 -1.26 -2.75 121.76 118.05 1s62 s ALA 38 Ca 0.42 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1s62 s ALA 38 Cb 0.24 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1s62 s ALA 38 CO -0.09 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 174.91 1s62 n GLY 39 N 3.82 1.13 3.89 0.00 0.00 -1.26 -5.02 105.19 107.75 1s62 n GLY 39 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1s62 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s62 s LYS 40 N 0.00 3.60 -0.01 1.61 3.01 -1.11 -5.06 119.74 121.78 1s62 s LYS 40 Ca 0.00 0.48 0.02 0.00 -1.01 0.00 0.00 55.97 55.46 1s62 s LYS 40 Cb 0.00 -2.24 -0.00 0.00 -1.01 0.00 0.00 37.83 34.58 1s62 s LYS 40 CO 0.00 -0.36 -0.07 0.99 0.51 0.00 0.00 175.35 176.43 1s62 s THR 41 N -2.91 0.56 -0.22 2.17 2.01 -1.26 -4.18 115.64 111.81 1s62 s THR 41 Ca 0.51 -0.29 -0.03 0.00 0.31 0.00 0.00 61.69 62.19 1s62 s THR 41 Cb -0.11 -0.48 0.10 0.00 0.01 0.00 0.00 72.50 72.03 1s62 s THR 41 CO 0.48 0.17 0.24 0.00 -0.69 0.00 0.00 174.62 174.82 1s62 s THR 43 N 2.34 4.00 -0.24 0.00 2.01 0.17 -0.34 115.64 123.59 1s62 s THR 43 Ca 0.08 1.09 -0.08 0.00 0.31 0.00 0.00 61.69 63.08 1s62 s THR 43 Cb -0.15 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 1s62 s THR 43 CO -0.17 -0.58 0.10 -0.76 -0.69 0.00 0.00 174.62 172.53 1s62 s LEU 44 N 4.89 3.71 -0.65 4.42 1.43 0.63 0.33 118.68 133.44 1s62 s LEU 44 Ca 0.60 -0.08 -0.28 0.00 -1.03 0.00 0.00 54.13 53.34 1s62 s LEU 44 Cb -0.16 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.09 1s62 s LEU 44 CO 0.28 0.01 1.32 -0.60 0.23 0.00 0.00 176.35 177.58 1s62 s ARG 45 N 1.35 3.28 -0.40 1.70 3.52 0.93 -1.24 118.95 128.10 1s62 s ARG 45 Ca 0.06 0.11 -0.14 0.00 -0.13 0.00 0.00 55.73 55.63 1s62 s ARG 45 Cb -0.15 -4.13 0.02 0.00 -1.56 0.00 0.00 34.95 29.13 1s62 s ARG 45 CO 0.05 -2.00 0.27 0.42 -0.81 0.00 0.00 175.30 173.23 1s62 s ILE 46 N 5.76 5.06 -0.57 4.11 1.01 -1.24 -1.73 121.20 133.61 1s62 s ILE 46 Ca 0.43 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 1s62 s ILE 46 Cb -0.09 -3.81 0.14 0.00 0.01 0.00 0.00 42.46 38.71 1s62 s ILE 46 CO 0.21 -0.27 0.50 -0.75 0.00 0.00 0.00 174.94 174.62 1s62 s LYS 47 N 1.65 2.94 -0.19 2.79 2.20 0.60 -1.92 119.74 127.80 1s62 s LYS 47 Ca 0.04 -1.85 -0.10 0.00 -0.36 0.00 0.00 55.97 53.71 1s62 s LYS 47 Cb -0.19 -4.21 -0.05 0.00 -1.51 0.00 0.00 37.83 31.87 1s62 s LYS 47 CO 0.09 -1.29 0.13 -1.17 -0.36 0.00 0.00 175.35 172.75 1s62 s LEU 48 N 1.30 4.23 0.55 5.43 2.96 0.63 -0.61 118.68 133.17 1s62 s LEU 48 Ca 0.06 0.26 -0.17 0.00 -0.22 0.00 0.00 54.13 54.06 1s62 s LEU 48 Cb -0.26 -2.09 -0.06 0.00 0.50 0.00 0.00 46.19 44.29 1s62 s LEU 48 CO 0.00 0.21 1.03 0.00 -1.32 0.00 0.00 176.35 176.28 1s62 s ALA 49 N 0.19 2.85 0.57 5.97 0.00 0.12 -3.21 121.76 128.24 1s62 s ALA 49 Ca 0.09 0.38 0.29 0.00 0.00 0.00 0.00 51.96 52.72 1s62 s ALA 49 Cb -0.11 -3.21 1.49 0.00 0.00 0.00 0.00 23.12 21.29 1s62 s ALA 49 CO -0.01 -0.56 1.93 -1.35 0.00 0.00 0.00 175.76 175.77 1s62 h PRO 50 N 0.79 0.00 0.00 0.00 0.11 -1.88 0.37 132.00 131.39 1s62 h PRO 50 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1s62 h PRO 50 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1s62 h PRO 50 CO 0.59 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.91 1s62 n ASP 51 N -3.90 0.00 -0.42 -2.05 2.03 -1.26 -4.67 116.55 106.28 1s62 n ASP 51 Ca 0.09 -0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1s62 n ASP 51 Cb 0.66 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 1s62 n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s62 n GLY 52 N 0.92 0.86 3.22 0.27 0.00 0.13 -4.79 105.19 105.80 1s62 n GLY 52 Ca 0.13 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 1s62 n GLY 52 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s62 s MET 53 N -3.24 0.99 -0.58 1.61 0.23 -1.22 -4.71 119.30 112.38 1s62 s MET 53 Ca 0.00 -1.03 -0.27 0.00 -1.03 0.00 0.00 55.69 53.36 1s62 s MET 53 Cb 0.00 -1.12 0.03 0.00 -1.53 0.00 0.00 34.83 32.21 1s62 s MET 53 CO 0.00 0.26 1.14 -0.51 -2.03 0.00 0.00 175.02 173.88 1s62 s LEU 54 N -1.74 3.58 0.14 0.18 1.43 -1.26 0.12 118.68 121.13 1s62 s LEU 54 Ca 0.03 -0.03 0.18 0.00 -1.03 0.00 0.00 54.13 53.27 1s62 s LEU 54 Cb -0.10 -3.05 -0.06 0.00 0.03 0.00 0.00 46.19 43.01 1s62 s LEU 54 CO 0.03 -1.45 0.99 0.17 0.23 0.00 0.00 176.35 176.32 1s62 h LEU 55 N 11.79 0.00 -6.37 1.79 8.10 -1.22 -3.45 115.31 125.95 1s62 h LEU 55 Ca -0.25 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.68 1s62 h LEU 55 Cb 1.06 0.00 -0.26 0.00 -0.44 0.00 0.00 40.66 41.02 1s62 h LEU 55 CO 1.17 0.43 -0.39 -0.62 -4.11 0.00 0.00 178.44 174.92 1s62 s ASP 56 N -5.81 -0.41 -0.28 0.17 2.15 -1.05 -5.02 116.67 106.42 1s62 s ASP 56 Ca -0.01 0.56 0.03 0.00 0.43 0.00 0.00 52.55 53.56 1s62 s ASP 56 Cb 0.09 1.54 0.07 0.00 -0.30 0.00 0.00 42.92 44.32 1s62 s ASP 56 CO 0.79 -0.28 -0.04 -0.51 -0.17 0.00 0.00 175.17 174.96 1s62 s ILE 57 N 2.67 2.03 -0.05 4.11 1.10 -1.26 -0.29 121.20 129.52 1s62 s ILE 57 Ca 0.14 -1.77 0.01 0.00 -0.51 0.00 0.00 60.65 58.52 1s62 s ILE 57 Cb -0.15 -2.29 0.02 0.00 0.15 0.00 0.00 42.46 40.19 1s62 s ILE 57 CO -0.17 -0.24 -0.05 -0.75 -2.11 0.00 0.00 174.94 171.61 1s62 s LYS 58 N 1.11 0.93 0.08 3.50 2.36 -0.71 -4.98 119.74 122.05 1s62 s LYS 58 Ca -0.02 -0.14 -0.31 0.00 -2.55 0.00 0.00 55.97 52.96 1s62 s LYS 58 Cb -0.19 -0.92 -0.08 0.00 -1.05 0.00 0.00 37.83 35.58 1s62 s LYS 58 CO -0.07 -0.08 1.53 -2.14 1.55 0.00 0.00 175.35 176.15 1s62 s PRO 59 N 0.94 4.24 -0.06 4.03 0.02 -1.26 -0.05 135.00 142.86 1s62 s PRO 59 Ca -0.11 2.22 -0.04 0.00 0.02 0.00 0.00 61.00 63.09 1s62 s PRO 59 Cb -0.14 -3.43 -0.01 0.00 0.02 0.00 0.00 34.50 30.93 1s62 s PRO 59 CO 0.00 -0.62 -0.08 0.39 -0.33 0.00 0.00 177.00 176.37 1s62 n GLU 60 N 4.89 0.19 -3.72 5.54 -0.58 0.15 -4.87 120.64 122.25 1s62 n GLU 60 Ca 0.14 0.36 -0.14 0.00 -0.42 0.00 0.00 57.16 57.10 1s62 n GLU 60 Cb 0.41 -1.14 -0.09 0.00 -0.57 0.00 0.00 31.44 30.05 1s62 n GLU 60 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1s62 s GLY 61 N -3.25 -0.27 0.00 0.62 0.00 -1.21 -5.01 107.32 98.21 1s62 s GLY 61 Ca -0.06 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.46 1s62 s GLY 61 CO 0.09 0.59 0.00 0.61 0.00 0.00 0.00 173.10 174.40 1s62 n GLY 62 N 1.89 -0.08 3.57 0.20 0.00 -1.26 -0.66 105.19 108.84 1s62 n GLY 62 Ca -0.18 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 1s62 n GLY 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s62 s ASP 63 N -4.00 5.96 0.27 1.61 -1.08 -1.19 -4.99 116.67 113.25 1s62 s ASP 63 Ca 0.00 -0.10 0.00 0.00 -0.52 0.00 0.00 52.55 51.94 1s62 s ASP 63 Cb 0.00 -2.11 0.55 0.00 -1.46 0.00 0.00 42.92 39.90 1s62 s ASP 63 CO 0.00 -0.08 1.80 1.55 0.52 0.00 0.00 175.17 178.96 1s62 h PRO 64 N 8.38 0.80 -0.04 4.34 0.13 -1.98 0.36 132.00 143.99 1s62 h PRO 64 Ca -0.35 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.71 1s62 h PRO 64 Cb 1.18 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1s62 h PRO 64 CO 0.57 0.53 -0.06 0.00 -0.23 0.00 0.00 178.00 178.80 1s62 h ALA 65 N 1.54 0.06 -0.39 -0.56 0.00 -1.99 -2.01 119.26 115.91 1s62 h ALA 65 Ca 0.48 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1s62 h ALA 65 Cb 0.58 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1s62 h ALA 65 CO -0.31 -0.12 0.23 1.25 0.00 0.00 0.00 179.25 180.30 1s62 h LEU 66 N -0.38 0.38 -0.73 0.00 5.85 -1.83 -1.43 115.31 117.16 1s62 h LEU 66 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1s62 h LEU 66 Cb 0.60 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1s62 h LEU 66 CO 0.01 0.27 0.41 0.00 -0.34 0.00 0.00 178.44 178.80 1s62 h GLN 68 N 1.01 1.12 -0.44 0.00 4.15 -1.05 -1.29 115.11 118.61 1s62 h GLN 68 Ca 0.26 -0.28 -0.13 0.00 0.77 0.00 0.00 58.65 59.28 1s62 h GLN 68 Cb 0.02 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 1s62 h GLN 68 CO -0.04 1.00 -0.22 0.00 -1.93 0.00 0.00 178.83 177.63 1s62 h ALA 69 N 1.08 0.78 -0.57 3.38 0.00 -0.86 -2.87 119.26 120.20 1s62 h ALA 69 Ca 0.22 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1s62 h ALA 69 Cb 0.39 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1s62 h ALA 69 CO 0.00 0.66 0.24 0.00 0.00 0.00 0.00 179.25 180.15 1s62 h ALA 70 N 0.97 1.36 -0.48 0.00 0.00 -0.22 -1.19 119.26 119.70 1s62 h ALA 70 Ca 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1s62 h ALA 70 Cb 0.77 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1s62 h ALA 70 CO 0.06 0.49 0.30 -0.07 0.00 0.00 0.00 179.25 180.03 1s62 h LEU 71 N 0.81 0.56 -0.42 0.00 3.38 -1.03 0.20 115.31 118.81 1s62 h LEU 71 Ca 0.20 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1s62 h LEU 71 Cb 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1s62 h LEU 71 CO -0.02 0.44 0.07 0.00 0.09 0.00 0.00 178.44 179.02 1s62 h ALA 72 N 1.15 0.56 -0.11 1.53 0.00 -1.28 -0.92 119.26 120.18 1s62 h ALA 72 Ca 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1s62 h ALA 72 Cb -0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1s62 h ALA 72 CO -0.03 0.27 0.04 0.00 0.00 0.00 0.00 179.25 179.53 1s62 h ALA 73 N 0.94 0.14 0.00 0.00 0.00 -0.97 -2.63 119.26 116.74 1s62 h ALA 73 Ca 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1s62 h ALA 73 Cb 0.37 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1s62 h ALA 73 CO 0.01 -0.28 -0.12 0.00 0.00 0.00 0.00 179.25 178.85 1s62 h ALA 74 N 0.89 1.24 -0.45 0.00 0.00 -0.54 0.11 119.26 120.51 1s62 h ALA 74 Ca 0.04 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1s62 h ALA 74 Cb 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1s62 h ALA 74 CO -0.00 0.15 -0.15 0.87 0.00 0.00 0.00 179.25 180.12 1s62 h LYS 75 N 0.00 0.85 0.00 0.00 1.57 -0.80 -2.98 116.57 115.22 1s62 h LYS 75 Ca -0.00 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1s62 h LYS 75 Cb 0.37 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1s62 h LYS 75 CO 0.02 0.95 -1.04 1.28 -0.57 0.00 0.00 179.45 180.09 1s62 n LEU 76 N -4.14 0.68 -4.77 2.94 7.99 -0.86 -4.93 117.00 113.92 1s62 n LEU 76 Ca 0.01 0.19 -0.41 0.00 -0.01 0.00 0.00 56.01 55.79 1s62 n LEU 76 Cb 0.40 -0.09 -0.01 0.00 -0.11 0.00 0.00 43.42 43.62 1s62 n LEU 76 CO 0.44 -0.09 1.16 0.00 -1.51 0.00 0.00 177.39 177.39 1s62 s ALA 77 N -3.30 3.63 -1.10 -1.18 0.00 0.32 -4.90 121.76 115.22 1s62 s ALA 77 Ca 0.01 1.54 -0.20 0.00 0.00 0.00 0.00 51.96 53.30 1s62 s ALA 77 Cb 0.12 -3.61 0.08 0.00 0.00 0.00 0.00 23.12 19.71 1s62 s ALA 77 CO 0.79 -0.99 1.48 0.21 0.00 0.00 0.00 175.76 177.26 1s62 s LYS 78 N -1.47 3.75 -0.22 0.00 2.47 -1.26 -4.96 119.74 118.05 1s62 s LYS 78 Ca 0.56 -1.59 -0.27 0.00 -1.56 0.00 0.00 55.97 53.12 1s62 s LYS 78 Cb -0.46 -5.32 -0.00 0.00 -1.46 0.00 0.00 37.83 30.59 1s62 s LYS 78 CO 0.56 -2.12 0.92 0.42 0.16 0.00 0.00 175.35 175.30 1s62 s ILE 79 N 4.14 4.78 0.33 5.43 -1.09 -1.26 -4.79 121.20 128.74 1s62 s ILE 79 Ca 0.46 1.79 -0.22 0.00 -2.23 0.00 0.00 60.65 60.45 1s62 s ILE 79 Cb 0.00 -4.21 -0.10 0.00 -1.58 0.00 0.00 42.46 36.58 1s62 s ILE 79 CO -0.04 -0.09 0.87 -2.16 -1.23 0.00 0.00 174.94 172.29 1s62 s PRO 80 N 2.80 4.33 0.58 2.79 0.04 -1.26 -4.94 135.00 139.34 1s62 s PRO 80 Ca 0.40 1.08 -0.20 0.00 0.04 0.00 0.00 61.00 62.31 1s62 s PRO 80 Cb -0.16 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 1s62 s PRO 80 CO 0.08 0.20 1.31 0.15 0.04 0.00 0.00 177.00 178.78 1s62 s LYS 81 N -2.48 2.98 -0.45 4.56 -0.14 -1.26 -4.79 119.74 118.15 1s62 s LYS 81 Ca 0.52 2.11 -0.42 0.00 -1.36 0.00 0.00 55.97 56.82 1s62 s LYS 81 Cb -0.14 -2.10 -0.17 0.00 -1.68 0.00 0.00 37.83 33.73 1s62 s LYS 81 CO 0.19 -1.28 2.02 -2.30 -0.76 0.00 0.00 175.35 173.23 1s62 n PRO 82 N -1.33 0.32 0.17 -1.68 -0.02 -1.26 -4.84 135.00 126.36 1s62 n PRO 82 Ca 0.12 0.10 0.03 0.00 -2.02 0.00 0.00 63.50 61.73 1s62 n PRO 82 Cb 0.47 -1.75 0.24 0.00 -0.02 0.00 0.00 33.50 32.44 1s62 n PRO 82 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1s62 h PRO 83 N 8.83 0.00 -6.62 0.52 0.13 -1.95 -3.45 132.00 129.46 1s62 h PRO 83 Ca -0.23 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.26 1s62 h PRO 83 Cb 1.38 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.31 1s62 h PRO 83 CO 1.05 0.47 -0.84 -1.12 -0.23 0.00 0.00 178.00 177.33 1s62 s SER 84 N -6.54 3.27 0.33 1.44 0.01 -1.26 -5.04 113.70 105.91 1s62 s SER 84 Ca 0.00 -0.82 0.03 0.00 1.31 0.00 0.00 55.95 56.48 1s62 s SER 84 Cb 0.11 -0.23 0.59 0.00 0.21 0.00 0.00 66.02 66.70 1s62 s SER 84 CO 0.72 0.12 1.89 0.06 0.41 0.00 0.00 173.24 176.44 1s62 h GLN 85 N 3.49 0.60 -0.02 12.44 -0.00 -2.01 -2.10 115.11 127.51 1s62 h GLN 85 Ca -0.47 -0.11 -0.11 0.00 -0.00 0.00 0.00 58.65 57.95 1s62 h GLN 85 Cb 1.19 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 28.56 1s62 h GLN 85 CO 0.45 0.57 -0.52 0.00 -0.00 0.00 0.00 178.83 179.33 1s62 h ALA 86 N 1.50 1.10 -0.11 0.06 0.00 -1.97 -2.43 119.26 117.42 1s62 h ALA 86 Ca 0.13 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1s62 h ALA 86 Cb 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1s62 h ALA 86 CO 0.00 0.65 -0.38 0.28 0.00 0.00 0.00 179.25 179.81 1s62 h VAL 87 N 0.04 1.29 -0.80 0.00 2.07 -1.79 -0.46 116.25 116.60 1s62 h VAL 87 Ca -0.00 -1.43 0.01 0.00 0.82 0.00 0.00 66.70 66.10 1s62 h VAL 87 Cb 0.93 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 1s62 h VAL 87 CO 0.07 0.43 0.53 0.22 0.02 0.00 0.00 177.57 178.83 1s62 h TYR 88 N 0.19 1.00 0.23 1.57 3.20 -0.92 0.36 116.97 122.59 1s62 h TYR 88 Ca 0.02 0.02 -0.33 0.00 3.14 0.00 0.00 58.73 61.59 1s62 h TYR 88 Cb 0.76 -0.34 0.03 0.00 1.54 0.00 0.00 36.73 38.73 1s62 h TYR 88 CO 0.01 0.62 -1.43 1.05 -1.64 0.00 0.00 178.16 176.77 1s62 h GLU 89 N 1.07 0.51 -0.13 1.82 4.11 -1.46 -3.35 114.58 117.15 1s62 h GLU 89 Ca 0.30 -0.85 -0.06 0.00 0.07 0.00 0.00 59.36 58.82 1s62 h GLU 89 Cb -0.10 0.31 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1s62 h GLU 89 CO -0.07 1.40 -0.15 0.28 0.07 0.00 0.00 179.01 180.54 1s62 h VAL 90 N 0.15 1.36 0.00 -1.06 2.07 -0.81 -3.17 116.25 114.79 1s62 h VAL 90 Ca -0.23 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 65.94 1s62 h VAL 90 Cb 2.12 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.84 1s62 h VAL 90 CO 0.26 0.39 0.00 0.33 0.02 0.00 0.00 177.57 178.57 1s62 n PHE 91 N -4.56 0.63 0.65 1.57 -0.00 0.12 -1.22 117.46 114.65 1s62 n PHE 91 Ca -0.07 0.30 0.07 0.00 -0.00 0.00 0.00 57.45 57.75 1s62 n PHE 91 Cb 0.37 -0.98 0.35 0.00 -0.00 0.00 0.00 39.48 39.21 1s62 n PHE 91 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1s62 n LYS 92 N -2.13 0.19 -2.70 -4.13 5.02 -1.20 -0.27 118.16 112.95 1s62 n LYS 92 Ca 0.00 0.16 -0.06 0.00 -2.02 0.00 0.00 58.31 56.39 1s62 n LYS 92 Cb 0.10 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.67 1s62 n LYS 92 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1s62 n ASN 93 N -1.29 -2.01 -3.73 4.39 5.15 -0.36 -4.28 115.26 113.12 1s62 n ASN 93 Ca 0.06 -2.49 -0.28 0.00 -0.60 0.00 0.00 54.58 51.27 1s62 n ASN 93 Cb 0.11 1.24 -0.12 0.00 -0.53 0.00 0.00 39.78 40.48 1s62 n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s62 s ALA 94 N 0.37 2.70 -0.52 5.20 0.00 -0.81 -4.98 121.76 123.72 1s62 s ALA 94 Ca 0.28 -3.07 -0.28 0.00 0.00 0.00 0.00 51.96 48.89 1s62 s ALA 94 Cb 0.22 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.39 1s62 s ALA 94 CO -0.16 -2.05 1.52 -2.14 0.00 0.00 0.00 175.76 172.93 1s62 s PRO 95 N -0.42 3.26 0.27 0.00 0.02 -1.26 -3.59 135.00 133.28 1s62 s PRO 95 Ca 0.23 0.67 -0.10 0.00 0.02 0.00 0.00 61.00 61.82 1s62 s PRO 95 Cb -0.11 -4.15 -0.07 0.00 0.02 0.00 0.00 34.50 30.18 1s62 s PRO 95 CO -0.10 -1.97 0.60 -0.51 -0.33 0.00 0.00 177.00 174.69 1s62 s LEU 96 N 6.45 4.11 -0.69 -5.54 1.02 -0.37 -4.82 118.68 118.85 1s62 s LEU 96 Ca 0.59 0.99 -0.19 0.00 0.02 0.00 0.00 54.13 55.54 1s62 s LEU 96 Cb -0.13 -3.78 0.11 0.00 0.02 0.00 0.00 46.19 42.41 1s62 s LEU 96 CO 0.27 -0.13 0.85 -0.62 0.02 0.00 0.00 176.35 176.74 1s62 s ASP 97 N -2.46 6.31 0.09 2.29 -1.08 -1.26 -0.27 116.67 120.29 1s62 s ASP 97 Ca 0.49 -1.55 -0.31 0.00 -0.52 0.00 0.00 52.55 50.66 1s62 s ASP 97 Cb -0.11 -2.34 -0.08 0.00 -1.46 0.00 0.00 42.92 38.93 1s62 s ASP 97 CO 0.22 -1.14 1.45 0.12 0.52 0.00 0.00 175.17 176.33 1s62 s PHE 98 N 2.81 3.02 -0.20 -5.34 5.36 0.54 -4.82 117.98 119.35 1s62 s PHE 98 Ca 0.19 0.80 -0.00 0.00 -0.96 0.00 0.00 56.93 56.95 1s62 s PHE 98 Cb -0.18 -3.74 0.05 0.00 -0.34 0.00 0.00 43.02 38.81 1s62 s PHE 98 CO 0.03 -2.71 -0.03 0.21 -1.46 0.00 0.00 175.22 171.25 1s62 s LYS 99 N 1.63 1.35 0.33 10.12 2.36 -1.26 -1.11 119.74 133.15 1s62 s LYS 99 Ca 0.66 -0.69 -0.29 0.00 -2.55 0.00 0.00 55.97 53.11 1s62 s LYS 99 Cb -0.37 -2.27 -0.12 0.00 -1.05 0.00 0.00 37.83 34.02 1s62 s LYS 99 CO 0.30 -0.54 1.36 -2.30 1.55 0.00 0.00 175.35 175.72 1s62 n PRO 100 N 4.83 2.24 -3.10 4.03 -0.02 -1.26 -4.98 135.00 136.75 1s62 n PRO 100 Ca -0.11 0.79 -0.30 0.00 -2.02 0.00 0.00 63.50 61.86 1s62 n PRO 100 Cb 0.46 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 1s62 n PRO 100 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1s62 s HIS 101 N -0.84 3.46 0.00 6.00 -3.43 -1.26 -4.41 115.29 114.81 1s62 s HIS 101 Ca 0.58 0.88 0.00 0.00 -0.80 0.00 0.00 55.06 55.72 1s62 s HIS 101 Cb -0.56 -2.30 0.00 0.00 -1.43 0.00 0.00 32.58 28.29 1s62 s HIS 101 CO 0.59 0.04 0.00 1.58 -2.00 0.00 0.00 174.74 174.95