#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s62 s GLU 2 N 0.00 2.84 -0.17 0.00 1.03 -1.26 -4.82 118.70 116.32 1s62 s GLU 2 Ca 0.00 0.58 -0.15 0.00 0.03 0.00 0.00 54.97 55.44 1s62 s GLU 2 Cb 0.00 -4.32 -0.11 0.00 -0.80 0.00 0.00 34.13 28.91 1s62 s GLU 2 CO 0.00 -2.49 0.04 0.74 -1.33 0.00 0.00 175.26 172.22 1s62 h PHE 3 N 13.77 0.00 0.00 4.83 0.04 -2.08 -3.48 116.94 130.02 1s62 h PHE 3 Ca -0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1s62 h PHE 3 Cb 1.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 1s62 h PHE 3 CO 1.04 0.67 0.00 0.41 -0.60 0.00 0.00 178.31 179.83 1s62 n GLY 4 N 1.55 0.64 0.00 -1.45 0.00 -1.26 -4.67 105.19 100.00 1s62 n GLY 4 Ca -0.17 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 6.85 0.00 0.00 1.61 5.15 -1.26 -5.07 115.26 122.54 1s62 n ASN 5 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1s62 n ASN 5 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 0.00 0.00 0.00 -0.44 -1.04 -1.26 -4.81 114.28 106.73 1s62 n THR 6 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1s62 n THR 6 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1s62 n THR 6 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1s62 n LYS 7 N 0.00 0.00 -1.31 -2.82 4.01 -1.26 -4.79 118.16 111.99 1s62 n LYS 7 Ca 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.70 1s62 n LYS 7 Cb 0.00 0.00 0.05 0.00 -0.51 0.00 0.00 35.03 34.57 1s62 n LYS 7 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1s62 n ASN 8 N 2.72 0.47 -3.51 4.39 2.85 -1.26 -4.65 115.26 116.27 1s62 n ASN 8 Ca 0.00 -1.42 -0.19 0.00 -0.11 0.00 0.00 54.58 52.86 1s62 n ASN 8 Cb 0.00 -0.29 0.07 0.00 1.24 0.00 0.00 39.78 40.80 1s62 n ASN 8 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1s62 n ASN 9 N -3.02 -2.54 -4.44 1.20 5.15 -1.26 -4.91 115.26 105.43 1s62 n ASN 9 Ca 0.07 -0.72 -0.44 0.00 -0.60 0.00 0.00 54.58 52.89 1s62 n ASN 9 Cb 0.24 -4.69 -0.02 0.00 -0.53 0.00 0.00 39.78 34.77 1s62 n ASN 9 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1s62 s GLY 10 N -4.18 2.09 -0.20 8.20 0.00 -1.26 -4.98 107.32 106.99 1s62 s GLY 10 Ca 0.09 -2.94 -0.02 0.00 0.00 0.00 0.00 44.72 41.85 1s62 s GLY 10 CO 0.77 1.95 -0.12 0.00 0.00 0.00 0.00 173.10 175.70 1s62 s ALA 11 N 2.23 2.59 -1.41 3.20 0.00 -1.26 -5.03 121.76 122.08 1s62 s ALA 11 Ca 0.34 -1.20 -0.14 0.00 0.00 0.00 0.00 51.96 50.96 1s62 s ALA 11 Cb -0.05 -1.46 0.06 0.00 0.00 0.00 0.00 23.12 21.67 1s62 s ALA 11 CO -0.08 -0.40 2.10 0.43 0.00 0.00 0.00 175.76 177.82 1s62 n SER 12 N 4.71 4.20 0.00 0.00 7.64 -1.26 -2.91 113.62 126.00 1s62 n SER 12 Ca -0.19 -2.89 0.00 0.00 1.01 0.00 0.00 58.87 56.80 1s62 n SER 12 Cb 0.50 -1.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 1s62 n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s62 n GLY 13 N 4.10 0.08 3.68 0.23 0.00 -1.26 -5.04 105.19 106.97 1s62 n GLY 13 Ca 0.50 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 46.07 1s62 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s62 n ALA 14 N 0.00 1.21 0.00 4.61 0.00 -1.15 -0.17 120.51 125.02 1s62 n ALA 14 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1s62 n ALA 14 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.16 1s62 n ALA 14 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1s62 n ASP 15 N 2.20 0.00 -0.14 0.00 2.03 -1.26 -4.52 116.55 114.86 1s62 n ASP 15 Ca 0.12 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.35 1s62 n ASP 15 Cb 0.32 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.73 1s62 n ASP 15 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1s62 h ILE 16 N 0.00 1.09 -0.67 5.18 2.04 -1.85 0.30 117.51 123.61 1s62 h ILE 16 Ca 0.00 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1s62 h ILE 16 Cb 0.00 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 1s62 h ILE 16 CO 0.00 0.10 0.33 -1.13 0.00 0.00 0.00 178.15 177.45 1s62 h ASN 17 N 0.57 0.85 -0.10 1.72 -0.00 -0.79 -0.69 115.58 117.13 1s62 h ASN 17 Ca 0.16 -0.08 -0.05 0.00 -0.00 0.00 0.00 56.30 56.33 1s62 h ASN 17 Cb -0.05 -0.22 -0.00 0.00 -0.00 0.00 0.00 38.32 38.06 1s62 h ASN 17 CO -0.05 0.71 -0.12 -1.13 -0.00 0.00 0.00 177.43 176.85 1s62 h ASN 18 N 0.94 0.28 -0.17 1.15 -0.73 -1.60 -1.76 115.58 113.70 1s62 h ASN 18 Ca 0.23 -0.50 0.02 0.00 1.87 0.00 0.00 56.30 57.92 1s62 h ASN 18 Cb 0.09 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 1s62 h ASN 18 CO -0.03 0.73 0.05 0.22 -0.37 0.00 0.00 177.43 178.02 1s62 h TYR 19 N -0.16 0.08 -0.34 0.67 3.20 -0.19 0.40 116.97 120.63 1s62 h TYR 19 Ca 0.01 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1s62 h TYR 19 Cb 0.66 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 1s62 h TYR 19 CO 0.09 0.04 0.04 0.00 -1.64 0.00 0.00 178.16 176.69 1s62 h ALA 20 N 1.11 1.44 -0.01 1.82 0.00 -1.17 -2.42 119.26 120.03 1s62 h ALA 20 Ca 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1s62 h ALA 20 Cb 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1s62 h ALA 20 CO -0.09 0.40 -0.08 0.78 0.00 0.00 0.00 179.25 180.27 1s62 h GLY 21 N 0.78 0.08 0.74 0.00 0.00 -0.72 -3.28 103.07 100.66 1s62 h GLY 21 Ca 0.11 -0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.40 1s62 h GLY 21 CO 0.00 0.11 0.62 1.46 0.00 0.00 0.00 176.54 178.73 1s62 h GLN 22 N -0.63 1.04 -0.67 4.80 4.20 -0.11 -1.51 115.11 122.23 1s62 h GLN 22 Ca -0.01 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.68 1s62 h GLN 22 Cb 0.82 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 1s62 h GLN 22 CO 0.02 0.69 0.40 0.82 -0.67 0.00 0.00 178.83 180.08 1s62 h ILE 23 N 1.07 1.03 -0.15 2.54 2.04 -1.54 0.55 117.51 123.04 1s62 h ILE 23 Ca 0.43 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 1s62 h ILE 23 Cb 0.25 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1s62 h ILE 23 CO -0.18 0.14 0.03 0.11 0.00 0.00 0.00 178.15 178.25 1s62 h LYS 24 N 0.75 0.25 -0.95 2.37 1.57 -1.37 -0.93 116.57 118.26 1s62 h LYS 24 Ca 0.28 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 59.04 1s62 h LYS 24 Cb 0.10 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.33 1s62 h LYS 24 CO -0.14 0.43 0.62 0.77 -0.57 0.00 0.00 179.45 180.56 1s62 h SER 25 N 0.04 1.02 -0.20 0.86 0.02 -0.89 0.13 113.55 114.53 1s62 h SER 25 Ca 0.05 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1s62 h SER 25 Cb 0.30 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1s62 h SER 25 CO 0.00 0.69 -0.01 0.00 -1.14 0.00 0.00 176.83 176.37 1s62 h ALA 26 N 1.45 0.27 0.02 3.77 0.00 -0.74 -2.71 119.26 121.33 1s62 h ALA 26 Ca 0.38 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1s62 h ALA 26 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1s62 h ALA 26 CO -0.12 0.01 -0.01 0.82 0.00 0.00 0.00 179.25 179.94 1s62 h ILE 27 N 0.11 1.09 0.00 0.00 2.04 -0.62 -2.90 117.51 117.23 1s62 h ILE 27 Ca 0.06 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1s62 h ILE 27 Cb 0.42 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1s62 h ILE 27 CO 0.01 0.09 -0.02 -0.33 0.00 0.00 0.00 178.15 177.90 1s62 h GLU 28 N -0.18 0.00 0.00 2.37 3.07 -0.80 -0.72 114.58 118.33 1s62 h GLU 28 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1s62 h GLU 28 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 1s62 h GLU 28 CO 0.01 0.02 0.00 0.43 -1.40 0.00 0.00 179.01 178.06 1s62 n SER 29 N -3.18 0.25 -0.47 1.42 7.64 -1.02 -1.16 113.62 117.10 1s62 n SER 29 Ca -0.02 0.57 0.04 0.00 1.01 0.00 0.00 58.87 60.48 1s62 n SER 29 Cb 0.17 -0.62 0.11 0.00 -1.01 0.00 0.00 64.21 62.86 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 -1.79 2.86 -4.55 1.43 4.01 -0.28 -4.99 118.16 114.84 1s62 n LYS 30 Ca 0.02 -1.89 -0.31 0.00 -0.51 0.00 0.00 58.31 55.62 1s62 n LYS 30 Cb 0.15 -1.20 -0.11 0.00 -0.51 0.00 0.00 35.03 33.36 1s62 n LYS 30 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1s62 s PHE 31 N -0.99 2.74 0.00 2.13 0.08 -0.31 -4.90 117.98 116.73 1s62 s PHE 31 Ca 0.17 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.08 1s62 s PHE 31 Cb 0.09 -1.54 0.00 0.00 -0.57 0.00 0.00 43.02 40.99 1s62 s PHE 31 CO 0.12 0.32 0.00 0.66 -0.10 0.00 0.00 175.22 176.21 1s62 n TYR 32 N 1.55 0.00 1.15 0.36 4.02 -1.26 -4.70 117.16 118.28 1s62 n TYR 32 Ca -0.16 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.86 1s62 n TYR 32 Cb 0.52 0.00 0.26 0.00 -0.02 0.00 0.00 39.34 40.11 1s62 n TYR 32 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1s62 n ASP 33 N -1.68 2.45 0.09 7.72 5.75 -1.26 -3.78 116.55 125.85 1s62 n ASP 33 Ca 0.00 -1.81 -0.16 0.00 -0.01 0.00 0.00 54.79 52.81 1s62 n ASP 33 Cb 0.00 -0.02 -0.10 0.00 -1.03 0.00 0.00 41.12 39.98 1s62 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s62 h ALA 34 N 4.55 0.19 0.00 2.12 0.00 -1.97 -3.01 119.26 121.15 1s62 h ALA 34 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1s62 h ALA 34 Cb 0.81 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1s62 h ALA 34 CO 0.00 0.86 0.00 0.66 0.00 0.00 0.00 179.25 180.77 1s62 h SER 35 N 0.17 0.00 -1.37 0.00 4.64 -1.84 -3.07 113.55 112.07 1s62 h SER 35 Ca -0.12 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.54 1s62 h SER 35 Cb 1.80 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.64 1s62 h SER 35 CO 0.19 0.00 0.84 -1.20 -0.87 0.00 0.00 176.83 175.80 1s62 n SER 36 N -2.78 7.34 -2.34 4.97 7.64 -1.14 -2.45 113.62 124.86 1s62 n SER 36 Ca 0.03 -3.65 -0.03 0.00 1.01 0.00 0.00 58.87 56.23 1s62 n SER 36 Cb 0.40 -1.06 0.05 0.00 -1.01 0.00 0.00 64.21 62.59 1s62 n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s62 n TYR 37 N -0.38 1.21 0.20 1.43 9.36 -1.16 -4.90 117.16 122.92 1s62 n TYR 37 Ca 0.54 -1.82 0.10 0.00 3.32 0.00 0.00 57.90 60.04 1s62 n TYR 37 Cb 0.46 -0.23 0.51 0.00 -0.63 0.00 0.00 39.34 39.44 1s62 n TYR 37 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1s62 n ALA 38 N -0.44 1.17 0.36 2.98 0.00 -1.26 -1.42 120.51 121.90 1s62 n ALA 38 Ca 0.14 0.15 0.14 0.00 0.00 0.00 0.00 53.44 53.87 1s62 n ALA 38 Cb 0.89 -1.30 0.54 0.00 0.00 0.00 0.00 19.45 19.58 1s62 n ALA 38 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1s62 h GLY 39 N 0.47 0.00 -4.40 0.00 0.00 -1.93 -3.43 103.07 93.78 1s62 h GLY 39 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 1s62 h GLY 39 CO 0.00 0.00 -0.78 0.54 0.00 0.00 0.00 176.54 176.30 1s62 s LYS 40 N -3.42 2.08 0.55 4.80 -0.14 -0.51 -5.12 119.74 117.98 1s62 s LYS 40 Ca 0.04 -0.99 0.00 0.00 -1.36 0.00 0.00 55.97 53.66 1s62 s LYS 40 Cb 0.09 -2.22 0.03 0.00 -1.68 0.00 0.00 37.83 34.05 1s62 s LYS 40 CO 0.49 0.53 0.78 0.99 -0.76 0.00 0.00 175.35 177.38 1s62 s THR 41 N -1.01 2.93 -0.41 2.17 2.01 -1.26 -4.50 115.64 115.57 1s62 s THR 41 Ca 0.16 -0.57 0.09 0.00 0.31 0.00 0.00 61.69 61.68 1s62 s THR 41 Cb -0.11 -3.11 0.35 0.00 0.01 0.00 0.00 72.50 69.64 1s62 s THR 41 CO 0.07 -0.08 1.04 0.00 -0.69 0.00 0.00 174.62 174.96 1s62 s THR 43 N -0.76 3.65 -0.21 0.00 2.01 0.12 -2.67 115.64 117.79 1s62 s THR 43 Ca 0.27 0.73 -0.06 0.00 0.31 0.00 0.00 61.69 62.94 1s62 s THR 43 Cb 0.34 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 1s62 s THR 43 CO -0.06 -0.32 0.02 -0.76 -0.69 0.00 0.00 174.62 172.82 1s62 s LEU 44 N 5.45 3.37 -0.79 4.42 1.43 0.83 -0.18 118.68 133.22 1s62 s LEU 44 Ca 0.73 -0.17 -0.26 0.00 -1.03 0.00 0.00 54.13 53.40 1s62 s LEU 44 Cb -0.25 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.13 1s62 s LEU 44 CO 0.30 0.06 1.46 -0.60 0.23 0.00 0.00 176.35 177.79 1s62 s ARG 45 N 1.06 3.14 0.06 1.70 3.52 0.15 -1.76 118.95 126.81 1s62 s ARG 45 Ca 0.03 -0.28 0.09 0.00 -0.13 0.00 0.00 55.73 55.44 1s62 s ARG 45 Cb -0.14 -4.51 -0.03 0.00 -1.56 0.00 0.00 34.95 28.70 1s62 s ARG 45 CO 0.02 -2.34 -0.25 0.96 -0.81 0.00 0.00 175.30 172.88 1s62 s ILE 46 N 6.42 2.02 -0.17 4.11 -4.36 -1.26 -1.17 121.20 126.78 1s62 s ILE 46 Ca 0.45 -1.40 -0.00 0.00 -0.26 0.00 0.00 60.65 59.44 1s62 s ILE 46 Cb -0.07 -1.75 0.04 0.00 1.25 0.00 0.00 42.46 41.93 1s62 s ILE 46 CO 0.10 0.27 -0.07 -0.75 0.24 0.00 0.00 174.94 174.73 1s62 s LYS 47 N -1.37 1.59 -0.21 0.37 2.20 0.31 -3.95 119.74 118.68 1s62 s LYS 47 Ca 0.11 -0.58 -0.16 0.00 -0.36 0.00 0.00 55.97 54.98 1s62 s LYS 47 Cb -0.10 -2.09 -0.04 0.00 -1.51 0.00 0.00 37.83 34.10 1s62 s LYS 47 CO 0.03 -0.42 0.39 -0.51 -0.36 0.00 0.00 175.35 174.48 1s62 s LEU 48 N 1.58 4.15 0.44 5.43 1.43 -1.20 -0.83 118.68 129.68 1s62 s LEU 48 Ca 0.01 0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 53.38 1s62 s LEU 48 Cb -0.15 -2.50 -0.09 0.00 0.03 0.00 0.00 46.19 43.48 1s62 s LEU 48 CO -0.08 -0.08 1.04 0.00 0.23 0.00 0.00 176.35 177.46 1s62 s ALA 49 N 1.34 2.98 0.56 4.21 0.00 0.14 -4.12 121.76 126.87 1s62 s ALA 49 Ca 0.19 0.65 0.33 0.00 0.00 0.00 0.00 51.96 53.12 1s62 s ALA 49 Cb -0.15 -3.26 1.46 0.00 0.00 0.00 0.00 23.12 21.18 1s62 s ALA 49 CO 0.08 -0.25 1.79 -1.00 0.00 0.00 0.00 175.76 176.38 1s62 h PRO 50 N 2.02 0.00 -0.01 0.00 0.13 -1.96 0.16 132.00 132.34 1s62 h PRO 50 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1s62 h PRO 50 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1s62 h PRO 50 CO 0.61 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.91 1s62 n ASP 51 N -3.97 0.09 -1.19 1.44 2.03 -1.26 -4.67 116.55 109.02 1s62 n ASP 51 Ca 0.20 -1.75 -0.03 0.00 0.52 0.00 0.00 54.79 53.73 1s62 n ASP 51 Cb 1.08 -0.01 0.01 0.00 -0.72 0.00 0.00 41.12 41.48 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 0.65 0.48 3.07 0.27 0.00 0.56 -4.89 105.19 105.33 1s62 n GLY 52 Ca 0.06 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.52 0.23 -0.13 1.61 0.23 -1.19 -4.89 119.30 110.65 1s62 s MET 53 Ca 0.03 0.29 -0.29 0.00 -1.03 0.00 0.00 55.69 54.68 1s62 s MET 53 Cb -0.01 0.09 -0.02 0.00 -1.53 0.00 0.00 34.83 33.36 1s62 s MET 53 CO 0.10 -0.04 1.17 -0.51 -2.03 0.00 0.00 175.02 173.71 1s62 s LEU 54 N 0.20 4.21 -0.11 0.18 1.02 -1.26 0.24 118.68 123.17 1s62 s LEU 54 Ca -0.01 1.67 0.12 0.00 0.02 0.00 0.00 54.13 55.94 1s62 s LEU 54 Cb -0.02 -3.55 -0.24 0.00 0.02 0.00 0.00 46.19 42.40 1s62 s LEU 54 CO -0.00 -0.64 0.41 0.00 0.02 0.00 0.00 176.35 176.13 1s62 n LEU 55 N 5.86 0.81 -4.09 1.79 -0.00 -0.01 -4.89 117.00 116.47 1s62 n LEU 55 Ca 0.12 0.24 -0.22 0.00 -0.00 0.00 0.00 56.01 56.15 1s62 n LEU 55 Cb 0.46 0.14 -0.15 0.00 -0.00 0.00 0.00 43.42 43.86 1s62 n LEU 55 CO 0.55 0.48 -0.47 -0.62 -0.00 0.00 0.00 177.39 177.33 1s62 s ASP 56 N -5.98 1.61 -0.29 1.45 2.15 -1.13 -4.98 116.67 109.50 1s62 s ASP 56 Ca -0.09 -0.25 0.01 0.00 0.43 0.00 0.00 52.55 52.65 1s62 s ASP 56 Cb 0.07 -0.27 0.19 0.00 -0.30 0.00 0.00 42.92 42.61 1s62 s ASP 56 CO 0.81 0.15 0.58 -0.51 -0.17 0.00 0.00 175.17 176.02 1s62 s ILE 57 N -0.16 -0.96 -0.07 4.11 2.07 -1.24 -0.53 121.20 124.41 1s62 s ILE 57 Ca 0.02 -0.01 -0.07 0.00 -1.41 0.00 0.00 60.65 59.18 1s62 s ILE 57 Cb -0.07 -0.99 0.02 0.00 0.13 0.00 0.00 42.46 41.55 1s62 s ILE 57 CO 0.00 -0.02 0.20 -0.54 -1.91 0.00 0.00 174.94 172.67 1s62 s LYS 58 N 2.82 0.23 -0.03 3.50 1.02 -0.32 -5.00 119.74 121.96 1s62 s LYS 58 Ca 0.17 0.27 -0.30 0.00 0.02 0.00 0.00 55.97 56.13 1s62 s LYS 58 Cb -0.14 0.11 -0.06 0.00 -0.52 0.00 0.00 37.83 37.22 1s62 s LYS 58 CO -0.22 -0.03 1.67 -2.14 -0.92 0.00 0.00 175.35 173.71 1s62 s PRO 59 N 0.11 4.18 -0.24 -1.68 0.02 -1.26 0.29 135.00 136.41 1s62 s PRO 59 Ca -0.00 2.24 -0.12 0.00 0.02 0.00 0.00 61.00 63.14 1s62 s PRO 59 Cb -0.01 -3.95 -0.11 0.00 0.02 0.00 0.00 34.50 30.45 1s62 s PRO 59 CO 0.00 -0.84 -0.31 -1.91 -0.33 0.00 0.00 177.00 173.62 1s62 n GLU 60 N 6.96 0.52 -3.50 5.54 2.13 0.75 -4.82 120.64 128.22 1s62 n GLU 60 Ca 0.17 0.22 -0.17 0.00 0.66 0.00 0.00 57.16 58.05 1s62 n GLU 60 Cb 0.42 -1.37 -0.12 0.00 0.27 0.00 0.00 31.44 30.64 1s62 n GLU 60 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1s62 s GLY 61 N -5.48 -0.05 0.00 8.31 0.00 -0.64 -5.00 107.32 104.46 1s62 s GLY 61 Ca -0.34 0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.77 1s62 s GLY 61 CO 0.43 2.18 0.00 0.61 0.00 0.00 0.00 173.10 176.32 1s62 n GLY 62 N 5.33 -0.67 3.71 0.20 0.00 -1.26 0.15 105.19 112.65 1s62 n GLY 62 Ca -0.05 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 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 7.30 0.37 1.61 -1.08 -0.37 -4.93 116.67 115.57 1s62 s ASP 63 Ca 0.00 1.73 0.06 0.00 -0.52 0.00 0.00 52.55 53.82 1s62 s ASP 63 Cb 0.00 -2.57 0.74 0.00 -1.46 0.00 0.00 42.92 39.62 1s62 s ASP 63 CO 0.00 -0.31 1.96 -0.65 0.52 0.00 0.00 175.17 176.69 1s62 h PRO 64 N 6.81 0.50 0.19 4.34 0.11 -1.98 -0.20 132.00 141.78 1s62 h PRO 64 Ca -0.41 -0.07 -0.27 0.00 0.11 0.00 0.00 66.00 65.36 1s62 h PRO 64 Cb 1.22 -0.09 0.03 0.00 0.11 0.00 0.00 31.00 32.27 1s62 h PRO 64 CO 0.77 0.45 -1.19 0.00 -0.21 0.00 0.00 178.00 177.81 1s62 h ALA 65 N 1.62 -0.12 0.24 -0.75 0.00 -1.99 -2.65 119.26 115.62 1s62 h ALA 65 Ca 0.12 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1s62 h ALA 65 Cb 0.16 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1s62 h ALA 65 CO -0.01 0.57 -0.15 1.25 0.00 0.00 0.00 179.25 180.91 1s62 h LEU 66 N -0.03 -0.37 -0.52 0.00 5.85 -1.89 -2.25 115.31 116.09 1s62 h LEU 66 Ca -0.20 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1s62 h LEU 66 Cb 1.93 0.11 0.00 0.00 0.37 0.00 0.00 40.66 43.07 1s62 h LEU 66 CO 0.23 -0.24 0.00 0.00 -0.34 0.00 0.00 178.44 178.08 1s62 h GLN 68 N 0.00 0.76 0.00 0.00 -0.00 -1.07 -2.83 115.11 111.97 1s62 h GLN 68 Ca 0.00 -0.57 -0.14 0.00 -0.00 0.00 0.00 58.65 57.94 1s62 h GLN 68 Cb 0.50 0.10 -0.02 0.00 0.00 0.00 0.00 27.48 28.06 1s62 h GLN 68 CO 0.00 1.19 -0.68 0.00 0.00 0.00 0.00 178.83 179.33 1s62 h ALA 69 N 0.67 0.86 -0.77 3.38 0.00 -0.97 -3.12 119.26 119.31 1s62 h ALA 69 Ca -0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1s62 h ALA 69 Cb 1.31 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1s62 h ALA 69 CO 0.14 0.85 0.46 0.00 0.00 0.00 0.00 179.25 180.70 1s62 h ALA 70 N 1.32 1.36 -0.76 0.00 0.00 -1.14 0.77 119.26 120.80 1s62 h ALA 70 Ca -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1s62 h ALA 70 Cb 1.22 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1s62 h ALA 70 CO 0.09 0.55 0.40 -0.07 0.00 0.00 0.00 179.25 180.21 1s62 h LEU 71 N 1.06 0.97 -0.17 0.00 3.38 -1.44 0.16 115.31 119.27 1s62 h LEU 71 Ca 0.28 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1s62 h LEU 71 Cb -0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1s62 h LEU 71 CO -0.05 0.81 -0.05 0.00 0.09 0.00 0.00 178.44 179.24 1s62 h ALA 72 N 1.20 0.24 -0.36 1.53 0.00 -1.42 -2.34 119.26 118.11 1s62 h ALA 72 Ca 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1s62 h ALA 72 Cb 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1s62 h ALA 72 CO -0.04 0.02 0.19 0.00 0.00 0.00 0.00 179.25 179.42 1s62 h ALA 73 N 0.71 0.46 -0.03 0.00 0.00 -0.59 -0.81 119.26 119.00 1s62 h ALA 73 Ca 0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1s62 h ALA 73 Cb 0.50 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1s62 h ALA 73 CO 0.02 -0.00 -0.21 0.00 0.00 0.00 0.00 179.25 179.05 1s62 h ALA 74 N 1.05 1.59 0.01 0.00 0.00 -0.71 0.43 119.26 121.64 1s62 h ALA 74 Ca 0.13 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 1s62 h ALA 74 Cb 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1s62 h ALA 74 CO -0.02 0.31 -0.91 -0.22 0.00 0.00 0.00 179.25 178.41 1s62 h LYS 75 N 0.05 0.19 0.04 0.00 3.11 -1.04 -3.22 116.57 115.70 1s62 h LYS 75 Ca 0.01 -0.22 -0.24 0.00 -2.81 0.00 0.00 60.65 57.39 1s62 h LYS 75 Cb 0.41 0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.69 1s62 h LYS 75 CO 0.03 0.97 -1.13 -0.07 -2.81 0.00 0.00 179.45 176.45 1s62 h LEU 76 N 0.10 0.14-10.26 5.20 3.38 -0.54 -3.46 115.31 109.87 1s62 h LEU 76 Ca -0.05 -0.16 -0.51 0.00 0.09 0.00 0.00 57.88 57.26 1s62 h LEU 76 Cb 1.55 -0.05 0.11 0.00 0.09 0.00 0.00 40.66 42.37 1s62 h LEU 76 CO 0.14 1.12 0.35 0.00 0.09 0.00 0.00 178.44 180.14 1s62 s ALA 77 N -2.69 2.43 -0.60 1.53 0.00 0.15 -5.00 121.76 117.57 1s62 s ALA 77 Ca -0.01 0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.24 1s62 s ALA 77 Cb 0.09 -3.28 0.16 0.00 0.00 0.00 0.00 23.12 20.09 1s62 s ALA 77 CO 0.84 -1.43 0.46 0.21 0.00 0.00 0.00 175.76 175.83 1s62 s LYS 78 N -4.53 2.70 -0.13 0.00 2.20 -1.26 -4.92 119.74 113.79 1s62 s LYS 78 Ca 0.63 -2.22 -0.29 0.00 -0.36 0.00 0.00 55.97 53.72 1s62 s LYS 78 Cb -0.18 -3.92 -0.02 0.00 -1.51 0.00 0.00 37.83 32.20 1s62 s LYS 78 CO 0.49 -1.20 1.19 0.42 -0.36 0.00 0.00 175.35 175.89 1s62 s ILE 79 N 0.52 4.37 0.68 5.43 -1.09 -1.26 -4.99 121.20 124.86 1s62 s ILE 79 Ca 0.13 1.66 -0.16 0.00 -2.23 0.00 0.00 60.65 60.06 1s62 s ILE 79 Cb -0.20 -4.07 0.01 0.00 -1.58 0.00 0.00 42.46 36.62 1s62 s ILE 79 CO -0.04 -0.09 1.17 -2.84 -1.23 0.00 0.00 174.94 171.91 1s62 s PRO 80 N 2.94 2.52 0.43 2.79 0.02 -1.26 -4.95 135.00 137.48 1s62 s PRO 80 Ca 0.53 1.63 -0.23 0.00 0.02 0.00 0.00 61.00 62.95 1s62 s PRO 80 Cb -0.21 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.33 1s62 s PRO 80 CO 0.16 -1.51 1.06 0.21 -0.33 0.00 0.00 177.00 176.59 1s62 s LYS 81 N -3.88 4.03 -0.20 5.54 2.20 -1.26 -4.90 119.74 121.27 1s62 s LYS 81 Ca 0.72 1.51 -0.35 0.00 -0.36 0.00 0.00 55.97 57.48 1s62 s LYS 81 Cb -0.26 -2.42 -0.12 0.00 -1.51 0.00 0.00 37.83 33.52 1s62 s LYS 81 CO 0.42 -0.26 1.95 -0.35 -0.36 0.00 0.00 175.35 176.75 1s62 n PRO 82 N -0.33 1.69 -0.01 4.03 -0.04 -1.26 -4.91 135.00 134.17 1s62 n PRO 82 Ca 0.06 0.58 -0.01 0.00 -0.04 0.00 0.00 63.50 64.10 1s62 n PRO 82 Cb 0.50 -2.53 -0.00 0.00 -0.04 0.00 0.00 33.50 31.43 1s62 n PRO 82 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1s62 h PRO 83 N 9.94 -0.05 -6.45 0.54 0.14 -1.97 -3.48 132.00 130.68 1s62 h PRO 83 Ca -0.43 0.00 -0.47 0.00 0.14 0.00 0.00 66.00 65.25 1s62 h PRO 83 Cb 1.29 0.01 0.01 0.00 0.14 0.00 0.00 31.00 32.45 1s62 h PRO 83 CO 0.97 -0.03 -0.24 -1.12 0.14 0.00 0.00 178.00 177.72 1s62 s SER 84 N -4.31 6.30 0.44 1.44 0.01 -1.26 -5.00 113.70 111.33 1s62 s SER 84 Ca -0.01 0.38 0.19 0.00 1.31 0.00 0.00 55.95 57.81 1s62 s SER 84 Cb 0.00 -2.00 1.04 0.00 0.21 0.00 0.00 66.02 65.27 1s62 s SER 84 CO 0.02 -0.25 1.95 1.56 0.41 0.00 0.00 173.24 176.93 1s62 h GLN 85 N 0.85 0.00 0.07 12.44 7.50 -1.99 -2.91 115.11 131.07 1s62 h GLN 85 Ca -0.50 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 58.64 1s62 h GLN 85 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.75 1s62 h GLN 85 CO 0.61 0.23 -0.04 0.00 -1.50 0.00 0.00 178.83 178.14 1s62 h ALA 86 N 1.77 -0.10 0.00 3.87 0.00 -1.94 -2.70 119.26 120.15 1s62 h ALA 86 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1s62 h ALA 86 Cb 0.48 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1s62 h ALA 86 CO 0.03 -0.52 -0.20 -0.24 0.00 0.00 0.00 179.25 178.32 1s62 h VAL 87 N -0.17 0.41 -0.52 0.00 3.04 -1.83 -3.03 116.25 114.14 1s62 h VAL 87 Ca -0.01 -1.21 -0.02 0.00 -1.01 0.00 0.00 66.70 64.44 1s62 h VAL 87 Cb 0.14 1.90 -0.03 0.00 -2.01 0.00 0.00 31.29 31.30 1s62 h VAL 87 CO 0.02 0.19 0.23 0.22 -1.01 0.00 0.00 177.57 177.22 1s62 h TYR 88 N 0.00 0.74 0.00 3.17 3.20 -1.28 0.23 116.97 123.03 1s62 h TYR 88 Ca -0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1s62 h TYR 88 Cb 0.89 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1s62 h TYR 88 CO 0.00 0.56 0.00 1.05 -1.64 0.00 0.00 178.16 178.13 1s62 h GLU 89 N 0.74 0.00 0.00 1.82 4.11 -1.36 -3.35 114.58 116.54 1s62 h GLU 89 Ca 0.18 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.41 1s62 h GLU 89 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1s62 h GLU 89 CO -0.02 0.00 -1.26 0.28 0.07 0.00 0.00 179.01 178.08 1s62 n VAL 90 N -2.78 1.50 0.31 -1.06 0.31 -0.62 -4.46 118.33 111.52 1s62 n VAL 90 Ca 0.04 -0.01 0.20 0.00 -0.01 0.00 0.00 64.34 64.56 1s62 n VAL 90 Cb 0.46 -2.12 1.03 0.00 -0.91 0.00 0.00 33.84 32.30 1s62 n VAL 90 CO 0.00 0.00 0.00 2.19 -1.32 0.00 0.00 176.83 177.70 1s62 h PHE 91 N -1.00 0.00 0.00 3.52 -0.00 -1.14 -2.07 116.94 116.25 1s62 h PHE 91 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.67 1s62 h PHE 91 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.09 1s62 h PHE 91 CO -0.04 0.00 0.00 0.36 -0.00 0.00 0.00 178.31 178.63 1s62 n LYS 92 N -2.93 0.23 -2.70 6.09 2.85 -1.25 -3.25 118.16 117.20 1s62 n LYS 92 Ca -0.02 0.11 -0.07 0.00 -1.05 0.00 0.00 58.31 57.28 1s62 n LYS 92 Cb 0.10 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.09 1s62 n LYS 92 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1s62 n ASN 93 N -1.33 -1.85 -3.75 -5.58 5.15 -0.80 -4.43 115.26 102.68 1s62 n ASN 93 Ca 0.09 -2.46 -0.29 0.00 -0.60 0.00 0.00 54.58 51.32 1s62 n ASN 93 Cb 0.17 1.09 -0.16 0.00 -0.53 0.00 0.00 39.78 40.36 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 0.18 1.30 0.28 5.20 0.00 -1.11 -5.05 121.76 122.57 1s62 s ALA 94 Ca 0.20 -1.18 -0.29 0.00 0.00 0.00 0.00 51.96 50.68 1s62 s ALA 94 Cb 0.35 -1.40 -0.10 0.00 0.00 0.00 0.00 23.12 21.98 1s62 s ALA 94 CO -0.08 -1.40 1.12 -2.14 0.00 0.00 0.00 175.76 173.26 1s62 s PRO 95 N 1.72 4.62 -0.13 0.00 0.02 -1.25 -4.73 135.00 135.25 1s62 s PRO 95 Ca 0.03 1.84 -0.20 0.00 0.02 0.00 0.00 61.00 62.68 1s62 s PRO 95 Cb -0.17 -3.18 -0.03 0.00 0.02 0.00 0.00 34.50 31.13 1s62 s PRO 95 CO -0.16 0.18 0.59 -0.51 -0.33 0.00 0.00 177.00 176.77 1s62 s LEU 96 N -1.45 4.24 -0.77 -5.54 1.02 -0.72 -4.92 118.68 110.53 1s62 s LEU 96 Ca 0.45 0.91 -0.18 0.00 0.02 0.00 0.00 54.13 55.33 1s62 s LEU 96 Cb -0.33 -2.86 0.13 0.00 0.02 0.00 0.00 46.19 43.15 1s62 s LEU 96 CO 0.42 -0.13 0.90 -0.62 0.02 0.00 0.00 176.35 176.94 1s62 s ASP 97 N 0.89 6.46 0.05 2.29 2.15 -1.26 -0.12 116.67 127.13 1s62 s ASP 97 Ca 0.30 -1.86 -0.21 0.00 0.43 0.00 0.00 52.55 51.21 1s62 s ASP 97 Cb -0.16 -2.33 -0.06 0.00 -0.30 0.00 0.00 42.92 40.06 1s62 s ASP 97 CO 0.12 -1.03 0.62 0.12 -0.17 0.00 0.00 175.17 174.83 1s62 s PHE 98 N 2.35 3.77 -0.15 -5.34 2.19 -1.09 -4.90 117.98 114.82 1s62 s PHE 98 Ca 0.22 1.30 -0.03 0.00 0.33 0.00 0.00 56.93 58.75 1s62 s PHE 98 Cb -0.13 -2.59 0.05 0.00 -1.31 0.00 0.00 43.02 39.03 1s62 s PHE 98 CO -0.02 0.47 0.06 0.15 1.83 0.00 0.00 175.22 177.71 1s62 s LYS 99 N -0.70 0.30 -0.03 10.12 1.02 -1.26 -0.80 119.74 128.39 1s62 s LYS 99 Ca 0.31 -0.11 -0.39 0.00 0.02 0.00 0.00 55.97 55.81 1s62 s LYS 99 Cb -0.20 -1.65 -0.18 0.00 -0.52 0.00 0.00 37.83 35.29 1s62 s LYS 99 CO 0.19 -0.57 1.36 -2.30 -0.92 0.00 0.00 175.35 173.11 1s62 n PRO 100 N 5.19 0.78 -2.34 -1.68 -0.02 -1.26 -4.81 135.00 130.86 1s62 n PRO 100 Ca -0.07 0.28 -0.37 0.00 -2.02 0.00 0.00 63.50 61.32 1s62 n PRO 100 Cb 0.49 -1.89 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 1s62 n PRO 100 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1s62 n HIS 101 N 2.83 3.86 0.00 6.00 8.25 -1.15 -4.33 115.22 130.67 1s62 n HIS 101 Ca 0.21 -2.30 0.00 0.00 -0.26 0.00 0.00 57.72 55.37 1s62 n HIS 101 Cb 0.14 -2.62 0.00 0.00 1.12 0.00 0.00 29.99 28.63 1s62 n HIS 101 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56