#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s62 n GLU 2 N 0.00 0.00 -3.90 0.00 -0.58 -1.26 -4.72 120.64 110.17 1s62 n GLU 2 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 1s62 n GLU 2 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 1s62 n GLU 2 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1s62 s PHE 3 N 0.00 3.53 -0.49 -0.32 0.08 -1.26 -4.98 117.98 114.54 1s62 s PHE 3 Ca 0.00 0.46 0.01 0.00 0.12 0.00 0.00 56.93 57.52 1s62 s PHE 3 Cb 0.00 -1.96 0.06 0.00 -0.57 0.00 0.00 43.02 40.55 1s62 s PHE 3 CO 0.00 0.64 0.84 0.41 -0.10 0.00 0.00 175.22 177.01 1s62 n GLY 4 N 2.23 1.91 3.13 4.36 0.00 -1.26 -4.88 105.19 110.69 1s62 n GLY 4 Ca -0.19 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 1s62 n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s62 n ASN 5 N 0.21 -7.13 -3.37 1.61 5.15 -1.26 -4.81 115.26 105.66 1s62 n ASN 5 Ca 0.04 0.08 -0.36 0.00 -0.60 0.00 0.00 54.58 53.74 1s62 n ASN 5 Cb 0.46 -4.28 -0.02 0.00 -0.53 0.00 0.00 39.78 35.41 1s62 n ASN 5 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1s62 n THR 6 N -0.94 3.49 -3.64 -0.44 -1.04 -1.26 -4.91 114.28 105.54 1s62 n THR 6 Ca -0.00 -2.29 -0.37 0.00 -2.04 0.00 0.00 64.05 59.36 1s62 n THR 6 Cb 0.54 -2.47 -0.06 0.00 -1.82 0.00 0.00 70.33 66.52 1s62 n THR 6 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1s62 s LYS 7 N 2.90 3.73 -1.34 -2.82 2.47 -1.26 -4.98 119.74 118.43 1s62 s LYS 7 Ca 0.57 0.18 -0.10 0.00 -1.56 0.00 0.00 55.97 55.06 1s62 s LYS 7 Cb 0.15 -3.17 0.12 0.00 -1.46 0.00 0.00 37.83 33.47 1s62 s LYS 7 CO -0.04 0.69 2.05 -1.71 0.16 0.00 0.00 175.35 176.50 1s62 n ASN 8 N 1.66 5.10 0.12 1.43 5.15 -1.26 -4.65 115.26 122.81 1s62 n ASN 8 Ca -0.15 -3.02 -0.02 0.00 -0.60 0.00 0.00 54.58 50.80 1s62 n ASN 8 Cb 0.53 -1.52 0.07 0.00 -0.53 0.00 0.00 39.78 38.33 1s62 n ASN 8 CO 0.00 0.00 0.00 -1.13 1.40 0.00 0.00 177.26 177.53 1s62 h ASN 9 N 5.70 0.00 0.00 1.20 -1.24 -1.97 -3.45 115.58 115.82 1s62 h ASN 9 Ca 0.48 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.49 1s62 h ASN 9 Cb 0.59 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.64 1s62 h ASN 9 CO 1.70 0.70 0.00 0.61 -1.29 0.00 0.00 177.43 179.15 1s62 n GLY 10 N 0.77 0.87 2.62 1.57 0.00 -1.26 -5.04 105.19 104.71 1s62 n GLY 10 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1s62 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s62 n ALA 11 N -3.00 3.45 -2.36 4.61 0.00 -1.26 -5.03 120.51 116.92 1s62 n ALA 11 Ca 0.00 -3.17 -0.36 0.00 0.00 0.00 0.00 53.44 49.91 1s62 n ALA 11 Cb 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 1s62 n ALA 11 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1s62 s SER 12 N -3.57 5.98 0.00 0.00 0.01 -1.26 -4.61 113.70 110.25 1s62 s SER 12 Ca 0.33 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 56.26 1s62 s SER 12 Cb 0.38 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1s62 s SER 12 CO -0.02 -2.00 0.19 0.61 0.41 0.00 0.00 173.24 172.43 1s62 n GLY 13 N 6.62 0.06 0.34 3.44 0.00 -1.26 -4.73 105.19 109.66 1s62 n GLY 13 Ca 0.38 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.54 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 2.20 0.09 4.61 0.00 -1.99 0.24 119.26 124.40 1s62 h ALA 14 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s62 h ALA 14 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1s62 h ALA 14 CO 0.00 -0.30 -0.04 0.22 0.00 0.00 0.00 179.25 179.13 1s62 h ASP 15 N 0.14 -0.10 -0.13 0.00 3.58 -1.98 -3.21 116.42 114.72 1s62 h ASP 15 Ca 0.19 -0.45 -0.02 0.00 0.42 0.00 0.00 57.03 57.18 1s62 h ASP 15 Cb 0.56 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1s62 h ASP 15 CO -0.02 0.55 0.02 0.40 -2.88 0.00 0.00 179.24 177.31 1s62 h ILE 16 N -0.92 1.22 -0.63 2.25 2.04 -1.76 -2.88 117.51 116.84 1s62 h ILE 16 Ca -0.01 -0.71 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 1s62 h ILE 16 Cb 0.54 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1s62 h ILE 16 CO 0.02 0.21 0.21 -1.13 0.00 0.00 0.00 178.15 177.46 1s62 h ASN 17 N -0.01 0.88 -0.05 1.72 -0.73 -0.71 0.11 115.58 116.78 1s62 h ASN 17 Ca 0.04 -0.14 -0.08 0.00 1.87 0.00 0.00 56.30 57.99 1s62 h ASN 17 Cb 0.31 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.65 1s62 h ASN 17 CO 0.00 0.82 -0.18 0.78 -0.37 0.00 0.00 177.43 178.47 1s62 h ASN 18 N 0.92 0.41 -0.02 1.15 4.21 -1.57 0.15 115.58 120.83 1s62 h ASN 18 Ca 0.21 -0.12 -0.03 0.00 1.21 0.00 0.00 56.30 57.57 1s62 h ASN 18 Cb 0.25 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 1s62 h ASN 18 CO -0.01 0.61 -0.10 0.22 -1.29 0.00 0.00 177.43 176.86 1s62 h TYR 19 N 0.38 0.14 -0.32 1.19 3.20 -1.17 -2.78 116.97 117.61 1s62 h TYR 19 Ca 0.07 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1s62 h TYR 19 Cb 0.55 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1s62 h TYR 19 CO 0.02 0.77 -0.00 0.00 -1.64 0.00 0.00 178.16 177.30 1s62 h ALA 20 N 0.35 1.40 -0.37 1.82 0.00 -0.70 -2.24 119.26 119.52 1s62 h ALA 20 Ca -0.01 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1s62 h ALA 20 Cb 0.78 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1s62 h ALA 20 CO 0.02 0.42 -0.12 0.78 0.00 0.00 0.00 179.25 180.35 1s62 h GLY 21 N 0.81 0.70 0.99 0.00 0.00 -0.74 -2.88 103.07 101.94 1s62 h GLY 21 Ca 0.10 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1s62 h GLY 21 CO 0.01 0.47 0.03 1.46 0.00 0.00 0.00 176.54 178.51 1s62 h GLN 22 N 0.59 0.82 -0.62 4.80 1.08 -1.12 -3.12 115.11 117.54 1s62 h GLN 22 Ca 0.10 -0.25 0.04 0.00 -1.45 0.00 0.00 58.65 57.10 1s62 h GLN 22 Cb 0.55 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.86 1s62 h GLN 22 CO 0.03 0.85 0.36 0.82 -0.95 0.00 0.00 178.83 179.95 1s62 h ILE 23 N 0.68 1.03 -0.68 2.54 2.04 -1.27 0.12 117.51 121.97 1s62 h ILE 23 Ca 0.14 -0.24 0.08 0.00 1.00 0.00 0.00 64.86 65.84 1s62 h ILE 23 Cb 0.47 0.27 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 1s62 h ILE 23 CO 0.02 0.13 0.34 0.11 0.00 0.00 0.00 178.15 178.75 1s62 h LYS 24 N 0.70 0.58 0.11 2.37 1.57 -1.45 -0.55 116.57 119.90 1s62 h LYS 24 Ca 0.26 -0.03 -0.27 0.00 -1.87 0.00 0.00 60.65 58.73 1s62 h LYS 24 Cb 0.08 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.28 1s62 h LYS 24 CO -0.13 0.38 -1.20 0.77 -0.57 0.00 0.00 179.45 178.70 1s62 h SER 25 N 0.59 0.59 -0.85 0.86 0.02 -1.49 -3.30 113.55 109.97 1s62 h SER 25 Ca 0.33 -0.57 0.03 0.00 -0.84 0.00 0.00 61.79 60.73 1s62 h SER 25 Cb 0.32 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 1s62 h SER 25 CO -0.25 1.41 0.56 0.00 -1.14 0.00 0.00 176.83 177.42 1s62 h ALA 26 N 0.52 1.45 -0.55 3.77 0.00 -0.21 -2.31 119.26 121.91 1s62 h ALA 26 Ca -0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1s62 h ALA 26 Cb 1.89 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1s62 h ALA 26 CO 0.21 0.48 0.02 0.82 0.00 0.00 0.00 179.25 180.79 1s62 h ILE 27 N 1.09 1.25 0.00 0.00 2.04 -1.19 -1.95 117.51 118.75 1s62 h ILE 27 Ca 0.33 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1s62 h ILE 27 Cb -0.02 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1s62 h ILE 27 CO -0.09 0.38 0.00 -0.08 0.00 0.00 0.00 178.15 178.36 1s62 h GLU 28 N 0.86 0.00 0.00 2.37 4.57 -1.52 0.18 114.58 121.04 1s62 h GLU 28 Ca 0.17 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.31 1s62 h GLU 28 Cb 0.48 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1s62 h GLU 28 CO 0.02 0.00 -0.16 0.77 -1.18 0.00 0.00 179.01 178.46 1s62 h SER 29 N 0.00 0.00 0.01 1.04 0.02 -0.83 -3.11 113.55 110.67 1s62 h SER 29 Ca 0.00 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.57 1s62 h SER 29 Cb 0.57 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.05 1s62 h SER 29 CO 0.00 0.16 -2.11 0.29 -1.14 0.00 0.00 176.83 174.04 1s62 n LYS 30 N -3.42 0.60 -2.95 3.45 4.76 -0.82 -4.68 118.16 115.10 1s62 n LYS 30 Ca -0.01 0.35 -0.44 0.00 -2.87 0.00 0.00 58.31 55.35 1s62 n LYS 30 Cb 0.35 -1.59 -0.02 0.00 -1.84 0.00 0.00 35.03 31.93 1s62 n LYS 30 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1s62 s PHE 31 N -2.47 3.18 -0.90 2.13 0.40 0.56 -4.95 117.98 115.92 1s62 s PHE 31 Ca -0.34 -1.48 -0.26 0.00 -0.60 0.00 0.00 56.93 54.24 1s62 s PHE 31 Cb 0.11 -4.26 -0.17 0.00 0.51 0.00 0.00 43.02 39.21 1s62 s PHE 31 CO 0.55 -1.46 2.29 0.71 0.70 0.00 0.00 175.22 178.02 1s62 s TYR 32 N 2.48 1.18 -1.34 0.36 1.51 -1.18 -2.08 117.35 118.27 1s62 s TYR 32 Ca 0.33 2.09 0.00 0.00 -1.01 0.00 0.00 57.07 58.48 1s62 s TYR 32 Cb -0.05 -3.41 0.00 0.00 -0.11 0.00 0.00 41.96 38.40 1s62 s TYR 32 CO -0.09 -1.24 0.00 -3.47 -1.11 0.00 0.00 175.55 169.64 1s62 n ASP 33 N 18.98 -5.44 0.09 2.29 2.03 -1.26 -4.83 116.55 128.40 1s62 n ASP 33 Ca 0.45 0.31 -0.22 0.00 0.52 0.00 0.00 54.79 55.85 1s62 n ASP 33 Cb 0.45 -4.06 -0.15 0.00 -0.72 0.00 0.00 41.12 36.64 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 0.00 -0.09 0.00 -1.67 0.00 -1.75 -3.21 119.26 112.54 1s62 h ALA 34 Ca -0.26 -0.81 -0.02 0.00 0.00 0.00 0.00 54.91 53.82 1s62 h ALA 34 Cb 1.13 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1s62 h ALA 34 CO 0.38 0.57 -0.10 0.66 0.00 0.00 0.00 179.25 180.75 1s62 h SER 35 N -0.13 0.00 0.00 0.00 4.64 -1.88 -3.30 113.55 112.88 1s62 h SER 35 Ca -0.21 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.52 1s62 h SER 35 Cb 1.89 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 64.00 1s62 h SER 35 CO 0.20 0.10 2.77 -1.20 -0.87 0.00 0.00 176.83 177.84 1s62 n SER 36 N -3.37 4.32 -0.14 4.97 7.64 -1.21 -4.27 113.62 121.57 1s62 n SER 36 Ca -0.01 -2.60 -0.26 0.00 1.01 0.00 0.00 58.87 57.01 1s62 n SER 36 Cb 0.29 -1.28 -0.11 0.00 -1.01 0.00 0.00 64.21 62.10 1s62 n SER 36 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1s62 n TYR 37 N 5.73 0.03 -0.90 1.43 4.01 -1.24 -5.01 117.16 121.20 1s62 n TYR 37 Ca 0.52 0.01 0.03 0.00 -0.16 0.00 0.00 57.90 58.30 1s62 n TYR 37 Cb 0.30 -1.00 -0.01 0.00 -0.31 0.00 0.00 39.34 38.31 1s62 n TYR 37 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s62 n ALA 38 N -3.94 -1.57 0.00 -0.72 0.00 -1.26 -4.80 120.51 108.22 1s62 n ALA 38 Ca -0.52 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1s62 n ALA 38 Cb 0.92 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1s62 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s62 n GLY 39 N -2.46 1.59 3.72 0.00 0.00 -1.26 -4.94 105.19 101.84 1s62 n GLY 39 Ca -0.01 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 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 4.30 0.06 1.61 1.02 -1.26 -5.06 119.74 120.41 1s62 s LYS 40 Ca 0.00 0.33 0.09 0.00 0.02 0.00 0.00 55.97 56.40 1s62 s LYS 40 Cb 0.00 -3.44 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 1s62 s LYS 40 CO 0.00 0.16 -0.24 0.99 -0.92 0.00 0.00 175.35 175.34 1s62 s THR 41 N 0.64 1.95 -0.23 2.17 2.01 -1.26 -4.56 115.64 116.36 1s62 s THR 41 Ca 0.23 -1.36 -0.03 0.00 0.31 0.00 0.00 61.69 60.83 1s62 s THR 41 Cb -0.14 -1.69 0.10 0.00 0.01 0.00 0.00 72.50 70.78 1s62 s THR 41 CO 0.08 0.26 0.22 0.00 -0.69 0.00 0.00 174.62 174.49 1s62 s THR 43 N 2.30 4.29 -0.30 0.00 2.01 -0.21 0.24 115.64 123.97 1s62 s THR 43 Ca 0.08 1.41 -0.07 0.00 0.31 0.00 0.00 61.69 63.42 1s62 s THR 43 Cb -0.15 -4.43 0.01 0.00 0.01 0.00 0.00 72.50 67.94 1s62 s THR 43 CO -0.20 -0.70 0.08 -0.76 -0.69 0.00 0.00 174.62 172.35 1s62 s LEU 44 N 4.21 3.89 -1.04 4.42 1.43 0.28 0.20 118.68 132.07 1s62 s LEU 44 Ca 0.49 -0.76 -0.23 0.00 -1.03 0.00 0.00 54.13 52.60 1s62 s LEU 44 Cb -0.11 -1.87 0.05 0.00 0.03 0.00 0.00 46.19 44.28 1s62 s LEU 44 CO 0.24 -0.21 1.50 -0.60 0.23 0.00 0.00 176.35 177.52 1s62 s ARG 45 N 1.48 3.57 -0.40 1.70 3.52 0.17 -0.79 118.95 128.20 1s62 s ARG 45 Ca 0.02 -1.16 -0.18 0.00 -0.13 0.00 0.00 55.73 54.29 1s62 s ARG 45 Cb -0.17 -5.36 0.01 0.00 -1.56 0.00 0.00 34.95 27.87 1s62 s ARG 45 CO 0.02 -2.28 0.48 0.96 -0.81 0.00 0.00 175.30 173.67 1s62 s ILE 46 N 5.21 5.04 -0.62 4.11 -4.36 -1.26 -0.56 121.20 128.76 1s62 s ILE 46 Ca 0.48 -0.06 -0.19 0.00 -0.26 0.00 0.00 60.65 60.62 1s62 s ILE 46 Cb 0.00 -4.02 0.10 0.00 1.25 0.00 0.00 42.46 39.79 1s62 s ILE 46 CO -0.08 -0.36 0.75 -0.54 0.24 0.00 0.00 174.94 174.95 1s62 s LYS 47 N 2.29 3.08 0.13 0.37 1.02 0.54 -3.63 119.74 123.55 1s62 s LYS 47 Ca 0.15 -1.31 -0.24 0.00 0.02 0.00 0.00 55.97 54.59 1s62 s LYS 47 Cb -0.16 -4.29 -0.07 0.00 -0.52 0.00 0.00 37.83 32.79 1s62 s LYS 47 CO 0.14 -1.58 0.73 -0.51 -0.92 0.00 0.00 175.35 173.21 1s62 s LEU 48 N 2.79 4.57 0.29 3.17 1.43 -0.83 -2.26 118.68 127.83 1s62 s LEU 48 Ca 0.13 1.54 0.01 0.00 -1.03 0.00 0.00 54.13 54.79 1s62 s LEU 48 Cb -0.22 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 1s62 s LEU 48 CO 0.06 0.21 0.48 0.00 0.23 0.00 0.00 176.35 177.32 1s62 s ALA 49 N -1.04 3.77 0.61 4.21 0.00 0.91 -4.12 121.76 126.10 1s62 s ALA 49 Ca 0.34 -0.95 0.31 0.00 0.00 0.00 0.00 51.96 51.66 1s62 s ALA 49 Cb -0.22 -2.01 1.72 0.00 0.00 0.00 0.00 23.12 22.61 1s62 s ALA 49 CO 0.24 0.13 2.08 -1.35 0.00 0.00 0.00 175.76 176.86 1s62 h PRO 50 N 1.11 0.00 0.00 0.00 0.11 -1.93 0.53 132.00 131.82 1s62 h PRO 50 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1s62 h PRO 50 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1s62 h PRO 50 CO 0.63 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.17 1s62 n ASP 51 N -3.56 0.00 -0.58 -2.05 9.92 -1.26 -4.71 116.55 114.31 1s62 n ASP 51 Ca 0.01 0.38 0.00 0.00 -0.53 0.00 0.00 54.79 54.66 1s62 n ASP 51 Cb 0.35 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 1s62 n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1s62 n GLY 52 N 0.76 0.72 3.28 0.44 0.00 0.18 -4.96 105.19 105.60 1s62 n GLY 52 Ca 0.07 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.46 0.52 -0.62 1.61 0.23 -1.24 -4.82 119.30 111.52 1s62 s MET 53 Ca 0.00 0.37 -0.22 0.00 -1.03 0.00 0.00 55.69 54.81 1s62 s MET 53 Cb 0.00 0.25 0.07 0.00 -1.53 0.00 0.00 34.83 33.61 1s62 s MET 53 CO 0.00 -0.09 0.92 -0.51 -2.03 0.00 0.00 175.02 173.31 1s62 s LEU 54 N -0.17 4.42 0.16 0.18 1.43 -1.26 -0.06 118.68 123.39 1s62 s LEU 54 Ca -0.03 -0.88 -0.06 0.00 -1.03 0.00 0.00 54.13 52.13 1s62 s LEU 54 Cb -0.03 -2.50 0.03 0.00 0.03 0.00 0.00 46.19 43.72 1s62 s LEU 54 CO 0.02 -1.34 1.45 0.17 0.23 0.00 0.00 176.35 176.87 1s62 h LEU 55 N 11.08 0.71 -7.52 1.79 8.10 -1.81 -3.39 115.31 124.26 1s62 h LEU 55 Ca -0.28 -0.40 -0.64 0.00 0.11 0.00 0.00 57.88 56.67 1s62 h LEU 55 Cb 1.07 -0.21 -0.40 0.00 -0.44 0.00 0.00 40.66 40.69 1s62 h LEU 55 CO 1.14 1.15 -0.73 -0.62 -4.11 0.00 0.00 178.44 175.27 1s62 s ASP 56 N -6.96 4.53 -0.36 0.17 2.15 -1.23 -5.04 116.67 109.94 1s62 s ASP 56 Ca -0.08 -1.99 -0.05 0.00 0.43 0.00 0.00 52.55 50.87 1s62 s ASP 56 Cb 0.11 -1.39 0.07 0.00 -0.30 0.00 0.00 42.92 41.41 1s62 s ASP 56 CO 0.86 -0.39 0.13 -0.51 -0.17 0.00 0.00 175.17 175.09 1s62 s ILE 57 N 1.13 3.49 -0.21 4.11 2.07 -1.26 -0.34 121.20 130.19 1s62 s ILE 57 Ca 0.10 -1.52 -0.03 0.00 -1.41 0.00 0.00 60.65 57.80 1s62 s ILE 57 Cb -0.18 -3.13 -0.00 0.00 0.13 0.00 0.00 42.46 39.27 1s62 s ILE 57 CO -0.13 -0.36 -0.08 -0.75 -1.91 0.00 0.00 174.94 171.70 1s62 s LYS 58 N 1.29 3.28 -0.35 3.50 2.20 0.28 -4.94 119.74 125.00 1s62 s LYS 58 Ca 0.01 -0.68 -0.29 0.00 -0.36 0.00 0.00 55.97 54.66 1s62 s LYS 58 Cb -0.21 -2.90 -0.01 0.00 -1.51 0.00 0.00 37.83 33.20 1s62 s LYS 58 CO -0.00 -0.20 1.59 -2.14 -0.36 0.00 0.00 175.35 174.23 1s62 s PRO 59 N 1.43 3.53 -0.06 4.03 0.02 -1.26 0.42 135.00 143.12 1s62 s PRO 59 Ca 0.06 1.25 -0.26 0.00 0.02 0.00 0.00 61.00 62.06 1s62 s PRO 59 Cb -0.14 -4.09 -0.22 0.00 0.02 0.00 0.00 34.50 30.07 1s62 s PRO 59 CO -0.06 -1.62 1.09 0.93 -0.33 0.00 0.00 177.00 177.01 1s62 h GLU 60 N 11.49 0.06 0.00 5.54 5.08 -0.62 -3.48 114.58 132.66 1s62 h GLU 60 Ca -0.31 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1s62 h GLU 60 Cb 1.14 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1s62 h GLU 60 CO 1.05 0.74 0.00 0.41 -1.00 0.00 0.00 179.01 180.21 1s62 n GLY 61 N 0.77 0.33 0.00 -3.84 0.00 -1.24 -5.00 105.19 96.21 1s62 n GLY 61 Ca -0.09 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1s62 n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s62 n GLY 62 N -0.34 1.30 2.74 -0.02 0.00 -1.26 -1.05 105.19 106.56 1s62 n GLY 62 Ca 0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 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 1.47 0.40 1.61 -1.08 0.88 -4.77 116.67 111.18 1s62 s ASP 63 Ca 0.00 -0.19 0.11 0.00 -0.52 0.00 0.00 52.55 51.95 1s62 s ASP 63 Cb 0.00 0.20 0.91 0.00 -1.46 0.00 0.00 42.92 42.57 1s62 s ASP 63 CO 0.00 -0.31 1.95 -0.65 0.52 0.00 0.00 175.17 176.68 1s62 h PRO 64 N 8.35 0.54 -0.75 4.34 0.11 -1.96 0.40 132.00 143.04 1s62 h PRO 64 Ca -0.16 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 1s62 h PRO 64 Cb 1.14 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 1s62 h PRO 64 CO 0.25 0.36 0.44 0.00 -0.21 0.00 0.00 178.00 178.84 1s62 h ALA 65 N 1.65 1.37 0.15 -0.75 0.00 -1.97 -1.50 119.26 118.22 1s62 h ALA 65 Ca 0.32 -0.09 -0.35 0.00 0.00 0.00 0.00 54.91 54.78 1s62 h ALA 65 Cb 0.49 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1s62 h ALA 65 CO -0.10 0.54 -1.85 1.25 0.00 0.00 0.00 179.25 179.08 1s62 h LEU 66 N 1.03 0.49 0.50 0.00 5.85 -1.60 -3.35 115.31 118.23 1s62 h LEU 66 Ca 0.27 -0.94 -0.02 0.00 0.84 0.00 0.00 57.88 58.03 1s62 h LEU 66 Cb -0.03 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.84 1s62 h LEU 66 CO -0.05 1.82 -0.24 0.00 -0.34 0.00 0.00 178.44 179.63 1s62 h GLN 68 N -0.70 0.00 0.08 0.00 7.50 -1.49 -0.90 115.11 119.59 1s62 h GLN 68 Ca -0.07 0.00 -0.18 0.00 0.50 0.00 0.00 58.65 58.90 1s62 h GLN 68 Cb 0.53 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.08 1s62 h GLN 68 CO 0.11 0.10 -0.75 0.00 -1.50 0.00 0.00 178.83 176.79 1s62 h ALA 69 N 1.90 -0.01 0.00 3.87 0.00 -1.66 -3.28 119.26 120.08 1s62 h ALA 69 Ca -0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 1s62 h ALA 69 Cb 0.17 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1s62 h ALA 69 CO 0.01 0.39 -0.09 0.00 0.00 0.00 0.00 179.25 179.56 1s62 h ALA 70 N 0.21 1.75 -0.65 0.00 0.00 -0.12 -1.77 119.26 118.67 1s62 h ALA 70 Ca -0.12 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1s62 h ALA 70 Cb 1.52 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.22 1s62 h ALA 70 CO 0.14 0.11 0.30 -0.07 0.00 0.00 0.00 179.25 179.73 1s62 h LEU 71 N 0.00 0.36 0.15 0.00 3.38 -1.24 0.69 115.31 118.65 1s62 h LEU 71 Ca -0.00 0.06 -0.28 0.00 0.09 0.00 0.00 57.88 57.76 1s62 h LEU 71 Cb 0.17 0.01 0.03 0.00 0.09 0.00 0.00 40.66 40.96 1s62 h LEU 71 CO 0.01 0.21 -1.18 0.00 0.09 0.00 0.00 178.44 177.57 1s62 h ALA 72 N 1.41 -0.06 -0.11 1.53 0.00 -1.55 -3.16 119.26 117.31 1s62 h ALA 72 Ca 0.32 -0.76 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1s62 h ALA 72 Cb 0.35 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1s62 h ALA 72 CO -0.27 0.60 -0.03 0.00 0.00 0.00 0.00 179.25 179.55 1s62 h ALA 73 N 0.22 0.07 0.00 0.00 0.00 -0.83 -0.08 119.26 118.63 1s62 h ALA 73 Ca -0.19 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1s62 h ALA 73 Cb 1.89 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1s62 h ALA 73 CO 0.22 -0.49 -0.34 0.00 0.00 0.00 0.00 179.25 178.64 1s62 h ALA 74 N 1.11 1.15 0.00 0.00 0.00 -1.02 0.03 119.26 120.53 1s62 h ALA 74 Ca 0.05 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1s62 h ALA 74 Cb 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1s62 h ALA 74 CO -0.12 0.43 -0.49 0.87 0.00 0.00 0.00 179.25 179.94 1s62 h LYS 75 N 0.00 0.00 0.00 0.00 1.57 -1.42 -3.25 116.57 113.47 1s62 h LYS 75 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s62 h LYS 75 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1s62 h LYS 75 CO 0.04 0.49 -1.44 1.28 -0.57 0.00 0.00 179.45 179.25 1s62 n LEU 76 N -3.27 0.47 -4.73 2.94 4.32 -0.08 -4.98 117.00 111.67 1s62 n LEU 76 Ca 0.02 0.17 -0.32 0.00 -0.02 0.00 0.00 56.01 55.86 1s62 n LEU 76 Cb 0.70 -0.03 0.11 0.00 -1.62 0.00 0.00 43.42 42.58 1s62 n LEU 76 CO 0.40 -0.10 0.71 0.00 -1.22 0.00 0.00 177.39 177.19 1s62 s ALA 77 N -3.43 2.00 -1.35 -1.18 0.00 -0.04 -4.89 121.76 112.88 1s62 s ALA 77 Ca -0.04 0.51 -0.16 0.00 0.00 0.00 0.00 51.96 52.28 1s62 s ALA 77 Cb 0.12 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.90 1s62 s ALA 77 CO 0.84 -2.06 2.03 1.17 0.00 0.00 0.00 175.76 177.74 1s62 n LYS 78 N -3.49 2.84 -2.48 0.00 3.00 -1.26 -4.94 118.16 111.84 1s62 n LYS 78 Ca 0.11 -2.78 -0.43 0.00 -0.00 0.00 0.00 58.31 55.21 1s62 n LYS 78 Cb 0.52 -3.36 -0.02 0.00 0.00 0.00 0.00 35.03 32.17 1s62 n LYS 78 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1s62 s ILE 79 N 3.96 4.37 1.18 3.15 -1.09 -1.26 -4.90 121.20 126.60 1s62 s ILE 79 Ca 0.51 1.65 -0.15 0.00 -2.23 0.00 0.00 60.65 60.44 1s62 s ILE 79 Cb 0.10 -4.07 0.28 0.00 -1.58 0.00 0.00 42.46 37.20 1s62 s ILE 79 CO -0.01 -0.14 1.03 -2.84 -1.23 0.00 0.00 174.94 171.74 1s62 s PRO 80 N 3.42 -1.04 -0.03 2.79 0.02 -1.26 -4.92 135.00 133.97 1s62 s PRO 80 Ca 0.52 0.59 -0.18 0.00 0.02 0.00 0.00 61.00 61.95 1s62 s PRO 80 Cb -0.20 -1.56 -0.05 0.00 0.02 0.00 0.00 34.50 32.71 1s62 s PRO 80 CO 0.13 -3.74 0.51 0.21 -0.33 0.00 0.00 177.00 173.78 1s62 s LYS 81 N -4.70 4.22 -0.43 5.54 2.47 -1.26 -4.76 119.74 120.81 1s62 s LYS 81 Ca 0.68 0.56 -0.41 0.00 -1.56 0.00 0.00 55.97 55.24 1s62 s LYS 81 Cb -0.21 -3.33 -0.16 0.00 -1.46 0.00 0.00 37.83 32.66 1s62 s LYS 81 CO 0.62 0.40 2.08 -2.30 0.16 0.00 0.00 175.35 176.32 1s62 n PRO 82 N 2.72 0.44 0.18 4.03 -0.02 -1.26 -4.89 135.00 136.20 1s62 n PRO 82 Ca -0.09 0.13 -0.07 0.00 -2.02 0.00 0.00 63.50 61.45 1s62 n PRO 82 Cb 0.51 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 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 9.64 -0.45 0.00 0.52 0.13 -1.94 -3.47 132.00 136.44 1s62 h PRO 83 Ca -0.21 0.03 -0.55 0.00 -0.87 0.00 0.00 66.00 64.40 1s62 h PRO 83 Cb 1.38 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.57 1s62 h PRO 83 CO 1.05 -0.30 -0.25 0.43 -0.23 0.00 0.00 178.00 178.70 1s62 n SER 84 N -3.41 2.66 0.17 1.44 7.64 -1.26 -5.01 113.62 115.85 1s62 n SER 84 Ca -0.06 -2.81 0.14 0.00 1.01 0.00 0.00 58.87 57.15 1s62 n SER 84 Cb 0.18 -0.06 0.51 0.00 -1.01 0.00 0.00 64.21 63.84 1s62 n SER 84 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1s62 h GLN 85 N 0.00 0.00 0.66 1.43 3.07 -1.99 -2.93 115.11 115.35 1s62 h GLN 85 Ca -0.33 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.38 1s62 h GLN 85 Cb 1.23 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.79 1s62 h GLN 85 CO 0.52 0.00 -0.32 0.00 0.09 0.00 0.00 178.83 179.12 1s62 h ALA 86 N 2.21 -0.89 -0.74 0.06 0.00 -1.98 -1.86 119.26 116.06 1s62 h ALA 86 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1s62 h ALA 86 Cb 0.50 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1s62 h ALA 86 CO 0.00 -0.92 0.46 0.28 0.00 0.00 0.00 179.25 179.07 1s62 h VAL 87 N -1.06 1.20 -0.10 0.00 2.07 -1.88 -0.52 116.25 115.96 1s62 h VAL 87 Ca -0.09 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.05 1s62 h VAL 87 Cb 0.72 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1s62 h VAL 87 CO 0.15 0.21 -0.20 0.22 0.02 0.00 0.00 177.57 177.96 1s62 h TYR 88 N 1.01 -0.53 0.12 1.57 3.20 -1.35 0.14 116.97 121.13 1s62 h TYR 88 Ca 0.27 0.02 -0.28 0.00 3.14 0.00 0.00 58.73 61.88 1s62 h TYR 88 Cb -0.07 0.25 0.03 0.00 1.54 0.00 0.00 36.73 38.48 1s62 h TYR 88 CO 0.00 -0.28 -1.16 0.93 -1.64 0.00 0.00 178.16 176.01 1s62 h GLU 89 N -0.27 0.58 0.10 1.82 4.39 -1.14 -3.24 114.58 116.82 1s62 h GLU 89 Ca 0.09 -0.78 -0.00 0.00 0.34 0.00 0.00 59.36 59.00 1s62 h GLU 89 Cb 0.40 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1s62 h GLU 89 CO -0.26 1.35 -0.05 0.28 -1.16 0.00 0.00 179.01 179.18 1s62 h VAL 90 N 0.18 1.12 0.00 3.13 2.07 -1.00 -3.24 116.25 118.51 1s62 h VAL 90 Ca -0.18 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1s62 h VAL 90 Cb 1.85 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 1s62 h VAL 90 CO 0.22 0.29 0.00 0.49 0.02 0.00 0.00 177.57 178.59 1s62 n PHE 91 N -4.87 0.00 0.29 1.57 3.72 0.48 -1.53 117.46 117.12 1s62 n PHE 91 Ca -0.08 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.49 1s62 n PHE 91 Cb 0.29 -0.26 0.85 0.00 -0.94 0.00 0.00 39.48 39.41 1s62 n PHE 91 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1s62 h LYS 92 N 0.00 0.00 -0.39 -1.08 1.57 -1.58 -2.21 116.57 112.88 1s62 h LYS 92 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 1s62 h LYS 92 Cb 0.17 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.26 1s62 h LYS 92 CO 0.00 0.04 -0.60 0.27 -0.57 0.00 0.00 179.45 178.59 1s62 n ASN 93 N -3.23 -1.31 -3.90 0.86 6.94 -0.59 -3.73 115.26 110.30 1s62 n ASN 93 Ca -0.01 -3.06 -0.30 0.00 -0.02 0.00 0.00 54.58 51.18 1s62 n ASN 93 Cb 0.22 0.98 -0.14 0.00 -2.36 0.00 0.00 39.78 38.48 1s62 n ASN 93 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1s62 s ALA 94 N -0.53 2.78 0.29 -2.53 0.00 -0.90 -5.01 121.76 115.86 1s62 s ALA 94 Ca 0.25 -2.78 -0.29 0.00 0.00 0.00 0.00 51.96 49.13 1s62 s ALA 94 Cb 0.36 -2.00 -0.10 0.00 0.00 0.00 0.00 23.12 21.38 1s62 s ALA 94 CO -0.06 -1.91 1.12 -2.14 0.00 0.00 0.00 175.76 172.77 1s62 s PRO 95 N 0.34 4.61 -0.06 0.00 0.02 -1.26 -4.32 135.00 134.33 1s62 s PRO 95 Ca 0.15 1.84 0.06 0.00 0.02 0.00 0.00 61.00 63.06 1s62 s PRO 95 Cb -0.23 -3.17 -0.01 0.00 0.02 0.00 0.00 34.50 31.11 1s62 s PRO 95 CO -0.04 0.18 -0.25 -1.17 -0.33 0.00 0.00 177.00 175.39 1s62 s LEU 96 N -1.49 2.06 -0.62 -5.54 2.96 0.03 -4.91 118.68 111.16 1s62 s LEU 96 Ca 0.45 -0.50 -0.25 0.00 -0.22 0.00 0.00 54.13 53.60 1s62 s LEU 96 Cb -0.32 -1.35 0.04 0.00 0.50 0.00 0.00 46.19 45.06 1s62 s LEU 96 CO 0.42 0.24 1.07 -0.62 -1.32 0.00 0.00 176.35 176.13 1s62 s ASP 97 N -0.13 6.28 -0.38 3.68 2.15 -1.26 -0.56 116.67 126.45 1s62 s ASP 97 Ca -0.04 -0.42 -0.28 0.00 0.43 0.00 0.00 52.55 52.23 1s62 s ASP 97 Cb -0.14 -2.48 -0.01 0.00 -0.30 0.00 0.00 42.92 39.99 1s62 s ASP 97 CO 0.04 -1.46 1.73 0.12 -0.17 0.00 0.00 175.17 175.43 1s62 s PHE 98 N 4.56 1.91 -0.21 -5.34 5.36 0.14 -4.89 117.98 119.51 1s62 s PHE 98 Ca 0.32 0.65 0.02 0.00 -0.96 0.00 0.00 56.93 56.96 1s62 s PHE 98 Cb -0.11 -4.16 0.03 0.00 -0.34 0.00 0.00 43.02 38.44 1s62 s PHE 98 CO 0.18 -2.68 -0.17 0.15 -1.46 0.00 0.00 175.22 171.23 1s62 s LYS 99 N 5.69 2.76 -0.40 10.12 -0.14 -1.26 -2.12 119.74 134.38 1s62 s LYS 99 Ca 0.74 -0.99 -0.36 0.00 -1.36 0.00 0.00 55.97 54.00 1s62 s LYS 99 Cb -0.19 -2.68 -0.16 0.00 -1.68 0.00 0.00 37.83 33.12 1s62 s LYS 99 CO 0.32 -0.32 1.52 -2.30 -0.76 0.00 0.00 175.35 173.81 1s62 n PRO 100 N 4.56 0.00 -3.25 -1.68 -0.02 -1.26 -4.90 135.00 128.45 1s62 n PRO 100 Ca -0.19 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 60.92 1s62 n PRO 100 Cb 0.47 -1.20 -0.06 0.00 -0.02 0.00 0.00 33.50 32.69 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 3.73 3.71 0.00 6.00 -3.43 -1.26 -4.86 115.29 119.18 1s62 s HIS 101 Ca 0.91 1.24 0.00 0.00 -0.80 0.00 0.00 55.06 56.41 1s62 s HIS 101 Cb -1.20 -2.49 0.00 0.00 -1.43 0.00 0.00 32.58 27.45 1s62 s HIS 101 CO 0.59 0.47 0.05 1.58 -2.00 0.00 0.00 174.74 175.43