#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1joe s ASP 10 N 0.00 7.07 0.24 6.55 3.68 -1.26 -4.92 116.67 128.03 1joe s ASP 10 Ca 0.00 1.60 0.23 0.00 2.13 0.00 0.00 52.55 56.51 1joe s ASP 10 Cb 0.00 -2.55 0.26 0.00 -1.45 0.00 0.00 42.92 39.18 1joe s ASP 10 CO 0.00 -0.63 1.33 0.45 0.13 0.00 0.00 175.17 176.45 1joe h HIS 11 N 7.60 0.00 -0.44 -5.34 3.86 -1.98 -3.28 115.15 115.56 1joe h HIS 11 Ca -0.27 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.67 1joe h HIS 11 Cb 1.11 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.45 1joe h HIS 11 CO 0.75 0.00 0.35 0.25 0.86 0.00 0.00 177.93 180.14 1joe n THR 12 N -2.59 2.43 -1.97 2.45 -2.24 -1.26 -3.45 114.28 107.65 1joe n THR 12 Ca 0.02 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.52 1joe n THR 12 Cb 0.50 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 1joe n THR 12 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1joe n LYS 13 N 0.17 0.00 -2.81 -0.78 5.02 -1.24 -5.12 118.16 113.41 1joe n LYS 13 Ca 0.27 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.17 1joe n LYS 13 Cb 0.75 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.70 1joe n LYS 13 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1joe s MET 14 N 0.00 4.75 0.14 1.97 -1.94 -1.22 -5.06 119.30 117.94 1joe s MET 14 Ca 0.00 1.39 -0.13 0.00 -1.71 0.00 0.00 55.69 55.24 1joe s MET 14 Cb 0.00 -3.21 -0.07 0.00 2.01 0.00 0.00 34.83 33.57 1joe s MET 14 CO 0.00 0.50 0.53 -0.80 -0.01 0.00 0.00 175.02 175.23 1joe s ASN 15 N -1.24 6.78 -0.22 3.03 0.01 -1.26 -4.90 114.94 117.14 1joe s ASN 15 Ca 0.41 1.02 -0.16 0.00 -0.71 0.00 0.00 52.86 53.42 1joe s ASN 15 Cb -0.24 -2.26 0.06 0.00 0.41 0.00 0.00 41.25 39.21 1joe s ASN 15 CO 0.30 0.10 0.55 0.00 -1.51 0.00 0.00 177.10 176.54 1joe s ALA 16 N -1.49 -1.41 0.28 0.60 0.00 -1.26 -3.87 121.76 114.60 1joe s ALA 16 Ca 0.38 1.76 -0.29 0.00 0.00 0.00 0.00 51.96 53.80 1joe s ALA 16 Cb -0.14 -1.03 -0.09 0.00 0.00 0.00 0.00 23.12 21.85 1joe s ALA 16 CO 0.19 -0.29 1.13 -2.14 0.00 0.00 0.00 175.76 174.65 1joe s PRO 17 N 0.86 4.60 0.13 0.00 0.02 -1.25 -4.81 135.00 134.56 1joe s PRO 17 Ca -0.05 1.85 -0.22 0.00 0.02 0.00 0.00 61.00 62.60 1joe s PRO 17 Cb -0.05 -3.18 0.06 0.00 0.02 0.00 0.00 34.50 31.34 1joe s PRO 17 CO -0.07 0.15 0.55 0.00 -0.33 0.00 0.00 177.00 177.30 1joe s ALA 18 N -1.06 -1.44 -0.05 -1.55 0.00 -1.13 0.18 121.76 116.71 1joe s ALA 18 Ca 0.46 0.44 0.06 0.00 0.00 0.00 0.00 51.96 52.91 1joe s ALA 18 Cb -0.33 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 1joe s ALA 18 CO 0.42 -0.69 -0.22 0.08 0.00 0.00 0.00 175.76 175.35 1joe s VAL 19 N -3.46 2.39 -0.02 0.00 1.01 -0.24 -3.02 120.40 117.07 1joe s VAL 19 Ca -0.00 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1joe s VAL 19 Cb -0.00 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.51 1joe s VAL 19 CO -0.10 0.58 -0.01 -0.60 0.00 0.00 0.00 175.10 174.97 1joe s ARG 20 N -0.45 0.28 -0.29 2.72 3.52 -0.11 -2.21 118.95 122.42 1joe s ARG 20 Ca 0.05 0.02 -0.29 0.00 -0.13 0.00 0.00 55.73 55.38 1joe s ARG 20 Cb -0.12 -0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 32.85 1joe s ARG 20 CO 0.01 -0.07 1.64 0.42 -0.81 0.00 0.00 175.30 176.49 1joe s ILE 21 N 0.68 3.66 0.16 4.11 1.09 -1.26 0.14 121.20 129.78 1joe s ILE 21 Ca -0.07 0.71 0.05 0.00 -1.10 0.00 0.00 60.65 60.24 1joe s ILE 21 Cb -0.10 -3.77 -0.16 0.00 -1.06 0.00 0.00 42.46 37.37 1joe s ILE 21 CO -0.01 -0.41 1.37 0.00 -0.10 0.00 0.00 174.94 175.78 1joe h ALA 22 N 11.47 0.51 0.00 9.38 0.00 -1.28 -3.46 119.26 135.88 1joe h ALA 22 Ca -0.33 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1joe h ALA 22 Cb 1.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1joe h ALA 22 CO 1.03 1.02 0.00 0.36 0.00 0.00 0.00 179.25 181.65 1joe n LYS 23 N -3.56 0.00 -4.14 0.00 2.85 -1.12 -5.00 118.16 107.19 1joe n LYS 23 Ca -0.02 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.01 1joe n LYS 23 Cb 0.84 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 35.17 1joe n LYS 23 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1joe s THR 24 N -1.38 4.26 0.05 0.58 -4.23 -1.26 0.23 115.64 113.88 1joe s THR 24 Ca 0.00 -1.45 -0.02 0.00 -1.18 0.00 0.00 61.69 59.04 1joe s THR 24 Cb 0.00 -3.28 -0.03 0.00 1.34 0.00 0.00 72.50 70.53 1joe s THR 24 CO 0.00 -0.32 0.00 -0.04 -0.54 0.00 0.00 174.62 173.72 1joe s MET 25 N -3.70 0.57 -0.13 3.99 -1.94 0.50 -4.96 119.30 113.63 1joe s MET 25 Ca 0.32 -1.03 -0.00 0.00 -1.71 0.00 0.00 55.69 53.27 1joe s MET 25 Cb -0.08 0.20 0.03 0.00 2.01 0.00 0.00 34.83 36.99 1joe s MET 25 CO 0.24 -0.11 -0.07 -0.51 -0.01 0.00 0.00 175.02 174.55 1joe s LEU 26 N -2.53 1.29 0.66 -0.03 1.43 -1.26 -1.21 118.68 117.03 1joe s LEU 26 Ca 0.01 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 1joe s LEU 26 Cb 0.03 -0.86 -0.01 0.00 0.03 0.00 0.00 46.19 45.38 1joe s LEU 26 CO -0.08 -0.14 1.05 0.42 0.23 0.00 0.00 176.35 177.84 1joe s THR 27 N 1.69 4.24 0.25 5.49 -4.23 -0.48 -4.91 115.64 117.69 1joe s THR 27 Ca 0.04 0.73 -0.03 0.00 -1.18 0.00 0.00 61.69 61.25 1joe s THR 27 Cb -0.13 -3.67 0.24 0.00 1.34 0.00 0.00 72.50 70.28 1joe s THR 27 CO -0.08 -0.95 1.71 1.55 -0.54 0.00 0.00 174.62 176.31 1joe h PRO 28 N -0.50 0.39 -1.52 3.99 0.13 -2.01 -1.55 132.00 130.93 1joe h PRO 28 Ca -0.44 -0.02 -0.36 0.00 -0.87 0.00 0.00 66.00 64.30 1joe h PRO 28 Cb 1.21 -0.09 -0.15 0.00 0.13 0.00 0.00 31.00 32.10 1joe h PRO 28 CO 0.62 0.26 0.45 1.63 -0.23 0.00 0.00 178.00 180.72 1joe n LYS 29 N -5.04 1.90 -3.74 0.86 5.02 -1.26 -4.84 118.16 111.05 1joe n LYS 29 Ca 0.16 -1.73 -0.32 0.00 -2.02 0.00 0.00 58.31 54.40 1joe n LYS 29 Cb 0.47 -1.69 0.03 0.00 -0.02 0.00 0.00 35.03 33.82 1joe n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1joe n GLY 30 N 0.30 -0.86 3.47 0.72 0.00 -0.58 -5.02 105.19 103.21 1joe n GLY 30 Ca 0.33 0.40 -0.24 0.00 0.00 0.00 0.00 46.02 46.51 1joe n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1joe s ASP 31 N -3.61 3.54 -0.13 1.61 -0.00 -1.25 -4.92 116.67 111.91 1joe s ASP 31 Ca 0.40 -1.06 0.02 0.00 -0.00 0.00 0.00 52.55 51.91 1joe s ASP 31 Cb -0.15 -0.30 -0.00 0.00 -0.00 0.00 0.00 42.92 42.47 1joe s ASP 31 CO 0.87 -0.02 -0.19 0.20 -0.00 0.00 0.00 175.17 176.03 1joe s ASN 32 N -3.51 3.45 -0.14 0.27 0.01 -1.26 -1.38 114.94 112.38 1joe s ASN 32 Ca 0.30 -0.49 -0.08 0.00 -0.71 0.00 0.00 52.86 51.88 1joe s ASN 32 Cb -0.03 -1.50 -0.04 0.00 0.41 0.00 0.00 41.25 40.08 1joe s ASN 32 CO 0.15 0.13 0.14 -0.63 -1.51 0.00 0.00 177.10 175.38 1joe s ILE 33 N 0.52 5.48 -0.04 0.60 1.09 -0.35 -2.24 121.20 126.25 1joe s ILE 33 Ca -0.12 0.22 0.02 0.00 -1.10 0.00 0.00 60.65 59.67 1joe s ILE 33 Cb -0.17 -3.42 0.01 0.00 -1.06 0.00 0.00 42.46 37.82 1joe s ILE 33 CO 0.05 0.58 -0.08 -0.89 -0.10 0.00 0.00 174.94 174.49 1joe s THR 34 N -0.70 0.80 -0.04 2.92 2.01 -0.33 0.19 115.64 120.48 1joe s THR 34 Ca 0.14 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.84 1joe s THR 34 Cb -0.12 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 1joe s THR 34 CO 0.03 0.27 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.50 1joe s VAL 35 N 0.60 3.90 0.07 3.82 1.01 0.13 0.04 120.40 129.97 1joe s VAL 35 Ca -0.10 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.42 1joe s VAL 35 Cb -0.13 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 1joe s VAL 35 CO 0.01 0.50 -0.23 -0.36 0.00 0.00 0.00 175.10 175.02 1joe s PHE 36 N -0.93 2.00 -0.53 5.22 0.08 0.30 -0.82 117.98 123.30 1joe s PHE 36 Ca 0.15 -0.39 -0.19 0.00 0.12 0.00 0.00 56.93 56.62 1joe s PHE 36 Cb -0.11 -1.15 0.07 0.00 -0.57 0.00 0.00 43.02 41.26 1joe s PHE 36 CO 0.05 0.17 0.65 0.34 -0.10 0.00 0.00 175.22 176.33 1joe s ASP 37 N -1.52 6.21 -1.06 1.36 2.15 0.38 -1.54 116.67 122.64 1joe s ASP 37 Ca 0.09 -1.10 -0.04 0.00 0.43 0.00 0.00 52.55 51.93 1joe s ASP 37 Cb -0.10 -2.29 0.30 0.00 -0.30 0.00 0.00 42.92 40.54 1joe s ASP 37 CO 0.03 -0.96 1.41 0.18 -0.17 0.00 0.00 175.17 175.66 1joe n LEU 38 N 6.20 6.21 -4.68 -1.34 4.77 0.24 -0.93 117.00 127.47 1joe n LEU 38 Ca -0.08 -5.21 -0.42 0.00 -0.03 0.00 0.00 56.01 50.28 1joe n LEU 38 Cb 0.44 -1.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.24 1joe n LEU 38 CO 0.55 1.67 1.52 -1.14 -1.33 0.00 0.00 177.39 178.66 1joe n ARG 39 N 1.45 2.85 -0.10 3.23 3.00 -1.17 -2.53 116.66 123.39 1joe n ARG 39 Ca 0.26 1.04 -0.16 0.00 -0.00 0.00 0.00 57.85 58.99 1joe n ARG 39 Cb 0.34 -2.95 -0.06 0.00 0.00 0.00 0.00 32.46 29.79 1joe n ARG 39 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1joe n PHE 40 N 6.12 0.17 -3.78 -0.14 0.99 0.15 -2.85 117.46 118.12 1joe n PHE 40 Ca 0.18 0.08 -0.24 0.00 -0.00 0.00 0.00 57.45 57.47 1joe n PHE 40 Cb 0.39 -0.73 -0.02 0.00 -1.00 0.00 0.00 39.48 38.12 1joe n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1joe s ILE 42 N -1.97 4.69 -0.18 0.00 -1.09 -1.26 -4.88 121.20 116.50 1joe s ILE 42 Ca 0.36 2.01 -0.31 0.00 -2.23 0.00 0.00 60.65 60.48 1joe s ILE 42 Cb -0.10 -4.30 -0.08 0.00 -1.58 0.00 0.00 42.46 36.40 1joe s ILE 42 CO 0.30 -0.14 2.11 -2.65 -1.23 0.00 0.00 174.94 173.33 1joe n PRO 43 N 6.02 1.95 -1.07 2.79 -0.02 -1.26 0.13 135.00 143.55 1joe n PRO 43 Ca 0.11 0.61 -0.02 0.00 -2.02 0.00 0.00 63.50 62.18 1joe n PRO 43 Cb 0.47 -2.91 -0.01 0.00 -0.02 0.00 0.00 33.50 31.03 1joe n PRO 43 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1joe n ASN 44 N 9.60 -3.34 -0.02 2.55 3.02 -1.26 -4.84 115.26 120.97 1joe n ASN 44 Ca 0.29 0.06 -0.03 0.00 -0.03 0.00 0.00 54.58 54.87 1joe n ASN 44 Cb 0.36 -1.04 -0.03 0.00 -0.61 0.00 0.00 39.78 38.46 1joe n ASN 44 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1joe n LYS 45 N -2.87 1.23 -4.07 3.52 4.76 0.12 -5.06 118.16 115.80 1joe n LYS 45 Ca -0.02 0.02 -0.07 0.00 -2.87 0.00 0.00 58.31 55.36 1joe n LYS 45 Cb 0.09 -1.11 -0.10 0.00 -1.84 0.00 0.00 35.03 32.07 1joe n LYS 45 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1joe s GLU 46 N -2.10 0.58 0.12 1.97 -1.05 -0.68 -4.96 118.70 112.57 1joe s GLU 46 Ca -0.05 -1.14 -0.01 0.00 -0.15 0.00 0.00 54.97 53.62 1joe s GLU 46 Cb 0.02 0.20 -0.04 0.00 -0.44 0.00 0.00 34.13 33.87 1joe s GLU 46 CO 0.14 -0.11 0.04 -1.50 0.95 0.00 0.00 175.26 174.78 1joe s ILE 47 N -3.62 0.12 -0.21 1.83 2.07 -1.26 -4.44 121.20 115.69 1joe s ILE 47 Ca 0.04 -1.89 -0.05 0.00 -1.41 0.00 0.00 60.65 57.34 1joe s ILE 47 Cb 0.06 -1.95 -0.02 0.00 0.13 0.00 0.00 42.46 40.68 1joe s ILE 47 CO -0.09 -0.56 0.01 -0.22 -1.91 0.00 0.00 174.94 172.17 1joe s LEU 48 N -3.02 3.26 0.51 8.50 2.96 -0.16 -5.02 118.68 125.71 1joe s LEU 48 Ca 0.21 -0.22 -0.23 0.00 -0.22 0.00 0.00 54.13 53.67 1joe s LEU 48 Cb 0.08 -1.84 -0.06 0.00 0.50 0.00 0.00 46.19 44.87 1joe s LEU 48 CO -0.00 0.03 1.40 -0.94 -1.32 0.00 0.00 176.35 175.52 1joe s SER 49 N 1.18 5.48 0.13 3.68 1.04 -1.26 -4.72 113.70 119.23 1joe s SER 49 Ca 0.03 2.87 -0.26 0.00 0.48 0.00 0.00 55.95 59.07 1joe s SER 49 Cb -0.14 -2.65 -0.03 0.00 0.10 0.00 0.00 66.02 63.29 1joe s SER 49 CO 0.01 -1.44 1.61 -0.65 0.98 0.00 0.00 173.24 173.76 1joe h PRO 50 N 1.80 -0.41 -0.41 4.02 0.11 -1.99 0.50 132.00 135.63 1joe h PRO 50 Ca -0.51 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1joe h PRO 50 Cb 1.29 0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.47 1joe h PRO 50 CO 0.59 -0.27 0.23 0.87 -0.21 0.00 0.00 178.00 179.21 1joe h LYS 51 N -0.43 0.57 -0.27 1.05 1.57 -1.91 -2.18 116.57 114.97 1joe h LYS 51 Ca 0.08 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1joe h LYS 51 Cb 0.55 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.68 1joe h LYS 51 CO -0.32 0.45 -0.18 0.78 -0.57 0.00 0.00 179.45 179.61 1joe h GLY 52 N 0.54 -0.00 2.00 3.86 0.00 -1.50 0.12 103.07 108.08 1joe h GLY 52 Ca 0.15 0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 1joe h GLY 52 CO -0.02 -0.18 -0.12 1.19 0.00 0.00 0.00 176.54 177.41 1joe h ILE 53 N -0.16 0.38 -0.33 2.60 2.10 0.03 -2.59 117.51 119.54 1joe h ILE 53 Ca 0.15 -0.68 -0.17 0.00 1.08 0.00 0.00 64.86 65.24 1joe h ILE 53 Cb 0.38 1.49 -0.00 0.00 -1.09 0.00 0.00 36.82 37.61 1joe h ILE 53 CO -0.37 0.11 -0.45 -0.74 -1.08 0.00 0.00 178.15 175.62 1joe h HIS 54 N 0.00 1.08 0.18 2.19 2.76 -0.33 -2.39 115.15 118.64 1joe h HIS 54 Ca -0.00 -0.36 -0.01 0.00 -2.20 0.00 0.00 60.37 57.80 1joe h HIS 54 Cb 0.49 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.23 1joe h HIS 54 CO 0.00 1.18 -0.09 1.15 -1.30 0.00 0.00 177.93 178.87 1joe h THR 55 N 0.68 0.94 -0.81 6.26 2.02 -1.26 -3.24 112.91 117.50 1joe h THR 55 Ca 0.04 -0.77 0.20 0.00 0.77 0.00 0.00 66.41 66.65 1joe h THR 55 Cb 1.05 1.38 -0.13 0.00 -1.74 0.00 0.00 68.15 68.71 1joe h THR 55 CO 0.11 0.17 0.13 0.25 0.37 0.00 0.00 175.52 176.55 1joe h LEU 56 N -0.63 -0.14 -0.45 2.58 5.85 -1.51 -1.71 115.31 119.30 1joe h LEU 56 Ca -0.02 0.19 0.09 0.00 0.84 0.00 0.00 57.88 58.97 1joe h LEU 56 Cb 0.46 0.29 -0.08 0.00 0.37 0.00 0.00 40.66 41.70 1joe h LEU 56 CO 0.04 -0.14 -0.08 -0.08 -0.34 0.00 0.00 178.44 177.84 1joe h GLU 57 N 0.18 0.03 -0.46 1.25 4.81 -1.45 0.52 114.58 119.45 1joe h GLU 57 Ca 0.47 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.61 1joe h GLU 57 Cb 0.89 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1joe h GLU 57 CO -0.64 0.02 -0.09 0.45 -0.73 0.00 0.00 179.01 178.02 1joe h HIS 58 N 0.03 0.98 0.03 0.92 3.86 -1.35 -1.88 115.15 117.74 1joe h HIS 58 Ca 0.22 -0.21 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1joe h HIS 58 Cb 0.34 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1joe h HIS 58 CO -0.36 0.96 -0.02 -0.07 0.86 0.00 0.00 177.93 179.30 1joe h LEU 59 N 0.72 -0.04 -0.83 2.43 3.38 -1.34 -3.13 115.31 116.49 1joe h LEU 59 Ca 0.12 -0.19 0.15 0.00 0.09 0.00 0.00 57.88 58.05 1joe h LEU 59 Cb 0.63 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.24 1joe h LEU 59 CO 0.04 0.55 -0.28 0.15 0.09 0.00 0.00 178.44 178.99 1joe h PHE 60 N -1.00 -0.71 -0.27 1.13 3.57 -0.07 0.93 116.94 120.51 1joe h PHE 60 Ca -0.00 0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1joe h PHE 60 Cb 0.23 0.44 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1joe h PHE 60 CO 0.05 -0.38 0.10 0.00 -2.23 0.00 0.00 178.31 175.85 1joe h ALA 61 N 1.54 0.35 -0.96 2.41 0.00 -1.49 0.48 119.26 121.59 1joe h ALA 61 Ca 0.35 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.23 1joe h ALA 61 Cb 0.60 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 1joe h ALA 61 CO -0.86 -0.05 0.60 0.78 0.00 0.00 0.00 179.25 179.73 1joe h GLY 62 N 0.27 1.52 1.01 0.00 0.00 -1.11 -0.19 103.07 104.57 1joe h GLY 62 Ca 0.09 -0.42 -0.20 0.00 0.00 0.00 0.00 47.33 46.80 1joe h GLY 62 CO -0.01 0.22 -1.48 0.74 0.00 0.00 0.00 176.54 176.02 1joe h PHE 63 N 1.02 0.00 -0.30 5.60 0.04 -0.69 -2.63 116.94 119.98 1joe h PHE 63 Ca 0.45 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.19 1joe h PHE 63 Cb 0.34 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1joe h PHE 63 CO -0.02 0.69 0.08 0.52 -0.60 0.00 0.00 178.31 178.99 1joe h MET 64 N 0.00 0.47 -0.75 1.51 2.86 0.36 0.29 114.93 119.67 1joe h MET 64 Ca -0.19 -0.11 0.10 0.00 -2.06 0.00 0.00 59.70 57.44 1joe h MET 64 Cb 1.70 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 33.24 1joe h MET 64 CO 0.06 0.54 0.49 0.00 1.06 0.00 0.00 176.91 179.06 1joe h ARG 65 N 0.32 0.62 0.00 1.72 -0.00 -1.16 0.53 114.38 116.41 1joe h ARG 65 Ca 0.09 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.54 1joe h ARG 65 Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 29.97 30.10 1joe h ARG 65 CO -0.00 0.41 0.00 -0.25 0.00 0.00 0.00 179.97 180.13 1joe n ASP 66 N -4.50 0.00 -0.33 7.04 8.00 0.54 -2.67 116.55 124.63 1joe n ASP 66 Ca 0.13 0.14 0.17 0.00 0.71 0.00 0.00 54.79 55.94 1joe n ASP 66 Cb 0.36 0.00 0.41 0.00 -0.02 0.00 0.00 41.12 41.86 1joe n ASP 66 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 1joe h HIS 67 N 0.00 0.89 0.03 1.24 3.86 -0.50 -3.13 115.15 117.54 1joe h HIS 67 Ca 0.00 0.03 -0.31 0.00 -1.16 0.00 0.00 60.37 58.93 1joe h HIS 67 Cb 0.00 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.16 1joe h HIS 67 CO 0.00 0.15 -1.82 -0.11 0.86 0.00 0.00 177.93 177.01 1joe n LEU 68 N -4.72 1.25 -4.71 2.43 7.94 0.18 -4.93 117.00 114.43 1joe n LEU 68 Ca 0.24 0.34 -0.43 0.00 -1.11 0.00 0.00 56.01 55.05 1joe n LEU 68 Cb 0.70 -0.11 -0.03 0.00 0.53 0.00 0.00 43.42 44.51 1joe n LEU 68 CO 0.22 0.50 1.26 0.59 -1.11 0.00 0.00 177.39 178.86 1joe n ASN 69 N -3.13 3.66 -3.00 1.96 3.02 -1.09 -4.84 115.26 111.84 1joe n ASN 69 Ca -0.21 1.10 -0.17 0.00 -0.03 0.00 0.00 54.58 55.27 1joe n ASN 69 Cb 1.06 -1.54 -0.06 0.00 -0.61 0.00 0.00 39.78 38.63 1joe n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1joe n GLY 70 N 3.09 2.82 0.26 7.41 0.00 -0.68 -4.94 105.19 113.14 1joe n GLY 70 Ca 0.13 -1.81 0.08 0.00 0.00 0.00 0.00 46.02 44.42 1joe n GLY 70 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1joe h ASP 71 N 1.86 0.00 -0.09 1.61 3.32 -2.00 -2.68 116.42 118.44 1joe h ASP 71 Ca -0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1joe h ASP 71 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1joe h ASP 71 CO 0.32 0.03 0.00 -1.54 -1.72 0.00 0.00 179.24 176.32 1joe n SER 72 N -4.48 2.75 -3.59 6.45 3.41 -1.26 -4.95 113.62 111.96 1joe n SER 72 Ca -0.03 -2.87 -0.16 0.00 -0.26 0.00 0.00 58.87 55.55 1joe n SER 72 Cb 0.11 -0.40 -0.13 0.00 -0.26 0.00 0.00 64.21 63.53 1joe n SER 72 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1joe s ILE 73 N -2.52 -0.36 -0.18 -1.33 1.01 -1.01 -4.18 121.20 112.63 1joe s ILE 73 Ca 0.30 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 61.08 1joe s ILE 73 Cb 0.25 -0.52 0.00 0.00 0.01 0.00 0.00 42.46 42.21 1joe s ILE 73 CO 0.05 -0.01 -0.14 -0.70 0.00 0.00 0.00 174.94 174.14 1joe s GLU 74 N 2.37 3.18 -0.21 2.79 2.12 0.49 -1.69 118.70 127.75 1joe s GLU 74 Ca 0.04 -0.75 -0.29 0.00 0.36 0.00 0.00 54.97 54.34 1joe s GLU 74 Cb -0.14 -2.70 -0.03 0.00 0.26 0.00 0.00 34.13 31.53 1joe s GLU 74 CO -0.10 -0.11 1.59 0.42 -0.54 0.00 0.00 175.26 176.52 1joe s ILE 75 N 1.14 3.73 0.03 -3.70 1.09 -1.26 0.18 121.20 122.41 1joe s ILE 75 Ca 0.01 0.84 -0.28 0.00 -1.10 0.00 0.00 60.65 60.12 1joe s ILE 75 Cb -0.14 -3.72 -0.17 0.00 -1.06 0.00 0.00 42.46 37.37 1joe s ILE 75 CO -0.05 -0.27 1.33 0.40 -0.10 0.00 0.00 174.94 176.24 1joe h ILE 76 N 6.05 0.44 0.00 2.92 2.04 -1.24 -3.46 117.51 124.26 1joe h ILE 76 Ca -0.33 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1joe h ILE 76 Cb 1.15 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1joe h ILE 76 CO 1.00 0.05 0.00 -0.67 0.00 0.00 0.00 178.15 178.53 1joe n ASP 77 N -5.29 0.00 -4.58 1.72 2.03 -1.16 -5.02 116.55 104.26 1joe n ASP 77 Ca -0.11 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.86 1joe n ASP 77 Cb 0.31 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.60 1joe n ASP 77 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1joe s ILE 78 N -2.00 4.27 0.00 5.18 1.01 -1.26 -2.57 121.20 125.83 1joe s ILE 78 Ca 0.00 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.46 1joe s ILE 78 Cb 0.00 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 1joe s ILE 78 CO 0.00 0.50 -0.12 -0.55 0.00 0.00 0.00 174.94 174.77 1joe s SER 79 N 0.12 1.44 0.29 3.58 0.15 0.10 -4.95 113.70 114.43 1joe s SER 79 Ca 0.01 -0.28 -0.29 0.00 0.70 0.00 0.00 55.95 56.09 1joe s SER 79 Cb -0.13 -0.14 -0.10 0.00 -1.71 0.00 0.00 66.02 63.94 1joe s SER 79 CO 0.02 0.11 1.33 -2.16 1.20 0.00 0.00 173.24 173.74 1joe s PRO 80 N -0.51 4.35 0.33 5.44 0.04 -1.26 -0.76 135.00 142.63 1joe s PRO 80 Ca 0.04 2.19 -0.12 0.00 0.04 0.00 0.00 61.00 63.15 1joe s PRO 80 Cb -0.05 -3.11 -0.08 0.00 0.04 0.00 0.00 34.50 31.30 1joe s PRO 80 CO -0.00 -0.24 0.71 -1.64 0.04 0.00 0.00 177.00 175.86 1joe s MET 81 N -1.16 3.87 0.45 4.56 1.00 0.09 -4.86 119.30 123.25 1joe s MET 81 Ca 0.53 0.50 0.11 0.00 0.00 0.00 0.00 55.69 56.82 1joe s MET 81 Cb -0.39 -2.47 1.01 0.00 0.00 0.00 0.00 34.83 32.98 1joe s MET 81 CO 0.48 0.12 2.07 0.78 0.00 0.00 0.00 175.02 178.47 1joe h GLY 82 N 1.94 0.41 2.00 -0.03 0.00 -1.95 0.34 103.07 105.78 1joe h GLY 82 Ca -0.47 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1joe h GLY 82 CO 0.65 0.13 0.00 0.00 0.00 0.00 0.00 176.54 177.33 1joe n ARG 84 N -1.99 -5.42 -0.21 0.00 1.74 0.11 -4.76 116.66 106.13 1joe n ARG 84 Ca 0.04 0.65 0.06 0.00 -0.77 0.00 0.00 57.85 57.83 1joe n ARG 84 Cb 0.28 -5.10 0.16 0.00 -1.02 0.00 0.00 32.46 26.78 1joe n ARG 84 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1joe n THR 85 N -4.36 1.45 -2.81 0.55 -2.24 -1.26 -0.98 114.28 104.62 1joe n THR 85 Ca -0.02 -1.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.39 1joe n THR 85 Cb 0.56 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 1joe n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1joe n GLY 86 N -0.14 -0.50 3.22 3.38 0.00 -1.26 0.33 105.19 110.22 1joe n GLY 86 Ca 0.13 -1.41 -0.18 0.00 0.00 0.00 0.00 46.02 44.56 1joe n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1joe s PHE 87 N -2.79 1.33 -0.18 1.61 0.40 -1.05 -0.73 117.98 116.58 1joe s PHE 87 Ca 0.00 -0.53 -0.08 0.00 -0.60 0.00 0.00 56.93 55.72 1joe s PHE 87 Cb 0.00 -0.72 -0.04 0.00 0.51 0.00 0.00 43.02 42.77 1joe s PHE 87 CO 0.00 0.11 0.09 0.71 0.70 0.00 0.00 175.22 176.82 1joe s TYR 88 N -1.86 3.32 -0.17 0.36 1.51 0.06 -0.59 117.35 119.99 1joe s TYR 88 Ca 0.05 0.19 0.01 0.00 -1.01 0.00 0.00 57.07 56.31 1joe s TYR 88 Cb -0.06 -2.08 0.01 0.00 -0.11 0.00 0.00 41.96 39.72 1joe s TYR 88 CO 0.03 0.26 -0.18 1.41 -1.11 0.00 0.00 175.55 175.95 1joe s MET 89 N 0.18 3.07 -0.05 -0.62 -2.45 -0.59 0.00 119.30 118.85 1joe s MET 89 Ca 0.06 -0.81 -0.07 0.00 -1.25 0.00 0.00 55.69 53.62 1joe s MET 89 Cb -0.12 -2.58 -0.04 0.00 1.25 0.00 0.00 34.83 33.33 1joe s MET 89 CO -0.00 -0.12 0.22 -1.12 1.05 0.00 0.00 175.02 175.05 1joe s SER 90 N 1.10 6.47 -0.03 1.11 0.01 -1.06 0.11 113.70 121.41 1joe s SER 90 Ca 0.00 0.54 -0.12 0.00 1.31 0.00 0.00 55.95 57.68 1joe s SER 90 Cb -0.14 -2.09 0.02 0.00 0.21 0.00 0.00 66.02 64.02 1joe s SER 90 CO -0.07 0.32 0.25 -1.48 0.41 0.00 0.00 173.24 172.68 1joe s LEU 91 N -1.43 1.08 -0.63 2.44 0.05 0.11 -0.70 118.68 119.60 1joe s LEU 91 Ca 0.22 0.09 -0.23 0.00 0.05 0.00 0.00 54.13 54.26 1joe s LEU 91 Cb -0.13 1.03 0.06 0.00 -2.05 0.00 0.00 46.19 45.10 1joe s LEU 91 CO 0.11 -0.36 0.96 -0.63 -0.55 0.00 0.00 176.35 175.89 1joe s ILE 92 N -1.07 4.33 -5.00 1.48 1.01 0.49 -1.19 121.20 121.24 1joe s ILE 92 Ca -0.11 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1joe s ILE 92 Cb -0.05 -4.64 0.00 0.00 0.01 0.00 0.00 42.46 37.77 1joe s ILE 92 CO 0.03 -1.36 0.00 0.61 0.00 0.00 0.00 174.94 174.21 1joe n GLY 93 N 5.27 -0.30 2.52 6.18 0.00 -0.95 0.19 105.19 118.09 1joe n GLY 93 Ca -0.02 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 1joe n GLY 93 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1joe n THR 94 N 9.00 -0.08 -0.56 2.61 5.66 -1.26 -3.78 114.28 125.87 1joe n THR 94 Ca 0.00 -2.71 -0.23 0.00 -3.05 0.00 0.00 64.05 58.07 1joe n THR 94 Cb 0.00 0.76 0.20 0.00 -1.55 0.00 0.00 70.33 69.74 1joe n THR 94 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1joe n PRO 95 N 0.42 -3.37 -3.66 1.09 -0.04 -1.26 -5.04 135.00 123.14 1joe n PRO 95 Ca 0.14 -1.21 -0.23 0.00 -0.04 0.00 0.00 63.50 62.15 1joe n PRO 95 Cb 0.68 -1.33 -0.01 0.00 -0.04 0.00 0.00 33.50 32.80 1joe n PRO 95 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1joe s ASN 96 N -3.30 4.85 0.23 3.54 2.20 -1.26 -5.00 114.94 116.20 1joe s ASN 96 Ca 0.52 -0.98 -0.07 0.00 -0.94 0.00 0.00 52.86 51.40 1joe s ASN 96 Cb -0.07 -0.06 0.34 0.00 -2.00 0.00 0.00 41.25 39.46 1joe s ASN 96 CO 0.42 -0.91 1.78 -0.33 -2.94 0.00 0.00 177.10 175.12 1joe h GLU 97 N 0.83 0.61 0.02 3.55 3.07 -1.96 -2.57 114.58 118.13 1joe h GLU 97 Ca -0.38 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 58.46 1joe h GLU 97 Cb 1.28 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 29.03 1joe h GLU 97 CO 0.56 0.40 -0.12 0.37 -1.40 0.00 0.00 179.01 178.82 1joe h GLN 98 N 0.62 -0.21 0.00 2.33 4.15 -1.98 -1.92 115.11 118.10 1joe h GLN 98 Ca 0.35 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.79 1joe h GLN 98 Cb 0.36 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1joe h GLN 98 CO -0.26 -0.14 0.01 1.17 -1.93 0.00 0.00 178.83 177.67 1joe n LYS 99 N -5.25 0.07 -0.11 1.69 4.81 -0.98 -1.86 118.16 116.52 1joe n LYS 99 Ca -0.06 0.57 -0.18 0.00 -0.87 0.00 0.00 58.31 57.77 1joe n LYS 99 Cb 0.17 -1.74 -0.10 0.00 0.02 0.00 0.00 35.03 33.38 1joe n LYS 99 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1joe n VAL 100 N -1.88 1.29 -0.23 3.15 0.31 -0.82 -3.64 118.33 116.51 1joe n VAL 100 Ca -0.01 -0.46 -0.04 0.00 -0.01 0.00 0.00 64.34 63.83 1joe n VAL 100 Cb 0.02 -1.41 0.07 0.00 -0.91 0.00 0.00 33.84 31.61 1joe n VAL 100 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1joe h SER 101 N -0.19 0.67 -0.97 4.52 0.02 -1.13 -0.19 113.55 116.28 1joe h SER 101 Ca -0.52 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.52 1joe h SER 101 Cb 1.72 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 64.05 1joe h SER 101 CO -0.14 0.47 0.62 -0.33 -1.14 0.00 0.00 176.83 176.31 1joe h GLU 102 N 0.80 1.01 -0.11 3.45 5.08 -1.57 0.80 114.58 124.04 1joe h GLU 102 Ca 0.26 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.44 1joe h GLU 102 Cb 0.01 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1joe h GLU 102 CO -0.10 0.67 -0.40 0.00 -1.00 0.00 0.00 179.01 178.18 1joe h ALA 103 N 1.51 0.20 -0.47 3.43 0.00 -1.54 -2.30 119.26 120.09 1joe h ALA 103 Ca 0.44 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1joe h ALA 103 Cb 0.32 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1joe h ALA 103 CO -0.20 0.30 0.30 2.35 0.00 0.00 0.00 179.25 182.01 1joe h TRP 104 N 0.05 0.57 0.36 0.00 7.01 -0.01 -0.15 115.95 123.78 1joe h TRP 104 Ca -0.02 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 1joe h TRP 104 Cb 1.03 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.87 1joe h TRP 104 CO 0.11 0.35 -0.45 1.25 -2.79 0.00 0.00 178.44 176.91 1joe h LEU 105 N 0.61 -1.27 -0.58 0.65 5.85 0.56 0.80 115.31 121.94 1joe h LEU 105 Ca 0.18 0.11 0.06 0.00 0.84 0.00 0.00 57.88 59.07 1joe h LEU 105 Cb -0.05 0.44 -0.09 0.00 0.37 0.00 0.00 40.66 41.33 1joe h LEU 105 CO -0.05 -0.58 -0.53 0.00 -0.34 0.00 0.00 178.44 176.94 1joe h ALA 106 N -0.55 -0.67 -0.87 1.25 0.00 -1.01 0.43 119.26 117.85 1joe h ALA 106 Ca -0.03 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.13 1joe h ALA 106 Cb 0.78 1.19 -0.12 0.00 0.00 0.00 0.00 17.79 19.63 1joe h ALA 106 CO -0.12 -0.97 0.34 0.77 0.00 0.00 0.00 179.25 179.27 1joe h SER 107 N -0.24 0.23 -0.64 0.00 0.02 -0.90 0.57 113.55 112.59 1joe h SER 107 Ca 0.10 0.16 0.06 0.00 -0.84 0.00 0.00 61.79 61.26 1joe h SER 107 Cb 0.49 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 1joe h SER 107 CO -0.67 -0.03 0.42 0.24 -1.14 0.00 0.00 176.83 175.66 1joe h MET 108 N 0.36 0.63 -0.74 3.45 2.07 0.23 0.42 114.93 121.36 1joe h MET 108 Ca 0.53 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 58.10 1joe h MET 108 Cb 1.00 -0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 30.56 1joe h MET 108 CO -0.54 0.42 0.38 1.96 1.07 0.00 0.00 176.91 180.20 1joe h GLN 109 N 0.65 1.05 0.13 1.72 1.08 0.17 -3.22 115.11 116.69 1joe h GLN 109 Ca 0.27 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1joe h GLN 109 Cb 0.23 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1joe h GLN 109 CO -0.08 0.81 -0.06 -0.44 -0.95 0.00 0.00 178.83 178.10 1joe h ASP 110 N 1.03 -0.15 -0.86 1.46 3.45 0.10 -2.98 116.42 118.47 1joe h ASP 110 Ca 0.26 -0.23 0.15 0.00 0.43 0.00 0.00 57.03 57.64 1joe h ASP 110 Cb 0.09 0.04 -0.07 0.00 -0.56 0.00 0.00 39.33 38.83 1joe h ASP 110 CO -0.04 0.15 0.56 0.58 -1.57 0.00 0.00 179.24 178.93 1joe h VAL 111 N -0.46 0.81 -0.65 -1.35 2.07 -0.38 0.53 116.25 116.83 1joe h VAL 111 Ca -0.02 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1joe h VAL 111 Cb 0.37 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1joe h VAL 111 CO 0.03 0.11 0.15 -0.07 0.02 0.00 0.00 177.57 177.81 1joe h LEU 112 N 0.60 0.97 -2.53 2.57 -0.00 -1.56 -2.04 115.31 113.32 1joe h LEU 112 Ca 0.43 -0.20 0.01 0.00 -0.00 0.00 0.00 57.88 58.12 1joe h LEU 112 Cb 0.79 -0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 41.19 1joe h LEU 112 CO -0.18 0.94 0.14 1.23 -0.00 0.00 0.00 178.44 180.57 1joe h GLY 113 N 1.05 0.00 -6.60 0.83 0.00 0.22 -3.38 103.07 95.18 1joe h GLY 113 Ca 0.21 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.93 1joe h GLY 113 CO 0.00 0.00 0.46 0.14 0.00 0.00 0.00 176.54 177.14 1joe s VAL 114 N -4.22 4.66 0.00 4.60 1.01 -0.77 -4.96 120.40 120.72 1joe s VAL 114 Ca -0.04 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.86 1joe s VAL 114 Cb 0.12 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1joe s VAL 114 CO 0.39 -0.52 0.00 0.00 0.00 0.00 0.00 175.10 174.97 1joe n GLN 115 N 6.60 0.00 -4.12 2.72 1.13 -1.26 -4.96 117.38 117.49 1joe n GLN 115 Ca 0.04 0.31 -0.34 0.00 -1.94 0.00 0.00 57.00 55.08 1joe n GLN 115 Cb 0.48 -0.80 -0.07 0.00 0.11 0.00 0.00 30.24 29.96 1joe n GLN 115 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1joe s ASP 116 N -3.20 5.69 0.53 1.08 3.84 -1.26 -4.98 116.67 118.37 1joe s ASP 116 Ca 0.00 0.18 0.26 0.00 -0.00 0.00 0.00 52.55 52.99 1joe s ASP 116 Cb 0.00 -1.66 1.40 0.00 -1.38 0.00 0.00 42.92 41.29 1joe s ASP 116 CO 0.00 0.30 1.99 1.56 -0.00 0.00 0.00 175.17 179.02 1joe h GLN 117 N 4.34 0.00 -0.51 2.11 4.20 -1.96 1.44 115.11 124.72 1joe h GLN 117 Ca -0.50 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.36 1joe h GLN 117 Cb 1.19 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 1joe h GLN 117 CO 0.61 0.00 0.37 0.00 -0.67 0.00 0.00 178.83 179.14 1joe h ALA 118 N 1.73 2.49 -0.01 3.87 0.00 -1.99 -0.34 119.26 125.00 1joe h ALA 118 Ca 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1joe h ALA 118 Cb 1.03 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1joe h ALA 118 CO -0.00 -0.63 0.00 -1.13 0.00 0.00 0.00 179.25 177.49 1joe n SER 119 N -4.38 2.61 -3.49 0.00 3.41 0.49 -4.35 113.62 107.91 1joe n SER 119 Ca 0.09 -2.01 -0.29 0.00 -0.26 0.00 0.00 58.87 56.40 1joe n SER 119 Cb 0.59 -0.50 -0.13 0.00 -0.26 0.00 0.00 64.21 63.91 1joe n SER 119 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1joe s ILE 120 N -0.22 0.11 0.00 -1.33 1.01 -0.14 -4.92 121.20 115.71 1joe s ILE 120 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 60.65 59.19 1joe s ILE 120 Cb 0.00 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.37 1joe s ILE 120 CO 0.00 -0.91 0.90 -2.65 0.00 0.00 0.00 174.94 172.28 1joe n PRO 121 N 4.37 0.00 0.00 2.79 -0.02 -1.26 -2.89 135.00 137.99 1joe n PRO 121 Ca 0.07 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1joe n PRO 121 Cb 0.38 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 1joe n PRO 121 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1joe n GLU 122 N -2.26 0.00 -1.47 -0.52 0.00 -1.26 -4.43 120.64 110.69 1joe n GLU 122 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 57.16 57.02 1joe n GLU 122 Cb 0.00 -1.58 -0.09 0.00 0.00 0.00 0.00 31.44 29.77 1joe n GLU 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1joe n LEU 123 N -1.06 2.35 0.00 -1.84 4.77 -1.14 -2.88 117.00 117.19 1joe n LEU 123 Ca 0.00 -2.62 -0.01 0.00 -0.03 0.00 0.00 56.01 53.35 1joe n LEU 123 Cb 0.08 -1.40 0.02 0.00 -2.33 0.00 0.00 43.42 39.79 1joe n LEU 123 CO 0.00 -2.17 0.87 -0.46 -1.33 0.00 0.00 177.39 174.30 1joe n ASN 124 N 13.93 -1.51 -0.04 -1.43 0.23 -1.26 -4.98 115.26 120.19 1joe n ASN 124 Ca 0.45 -1.68 -0.13 0.00 -0.53 0.00 0.00 54.58 52.69 1joe n ASN 124 Cb 0.45 2.43 -0.01 0.00 -2.08 0.00 0.00 39.78 40.57 1joe n ASN 124 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 1joe h ILE 125 N 1.95 1.29 -0.03 1.53 3.07 -1.83 1.43 117.51 124.93 1joe h ILE 125 Ca -0.24 -1.80 0.00 0.00 1.55 0.00 0.00 64.86 64.36 1joe h ILE 125 Cb 1.15 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 39.44 1joe h ILE 125 CO 0.34 0.58 0.00 -1.22 -1.05 0.00 0.00 178.15 176.79 1joe n TYR 126 N -3.97 0.03 -0.29 0.16 4.01 -1.26 -4.06 117.16 111.78 1joe n TYR 126 Ca -0.04 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1joe n TYR 126 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 1joe n TYR 126 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1joe n GLN 127 N -0.50 0.18 -4.43 -0.72 7.27 -1.19 -5.11 117.38 112.88 1joe n GLN 127 Ca 0.19 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 57.06 1joe n GLN 127 Cb 0.18 -0.01 -0.14 0.00 2.41 0.00 0.00 30.24 32.68 1joe n GLN 127 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1joe h GLY 129 N 5.28 0.00 -5.29 0.00 0.00 -1.89 -3.38 103.07 97.79 1joe h GLY 129 Ca -0.36 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.65 1joe h GLY 129 CO 0.46 0.00 -0.67 1.44 0.00 0.00 0.00 176.54 177.77 1joe n SER 130 N -3.48 -1.80 0.06 0.19 7.64 -1.26 -5.04 113.62 109.91 1joe n SER 130 Ca -0.00 -3.26 0.04 0.00 1.01 0.00 0.00 58.87 56.66 1joe n SER 130 Cb 0.76 1.14 0.19 0.00 -1.01 0.00 0.00 64.21 65.30 1joe n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1joe n TYR 131 N 1.15 0.24 -0.65 1.43 4.11 -1.26 -0.48 117.16 121.70 1joe n TYR 131 Ca 0.12 0.13 0.09 0.00 -0.00 0.00 0.00 57.90 58.24 1joe n TYR 131 Cb 0.63 -0.68 0.37 0.00 -0.00 0.00 0.00 39.34 39.66 1joe n TYR 131 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 1joe n THR 132 N -1.74 1.96 -2.47 -3.48 -2.24 -1.26 -4.56 114.28 100.48 1joe n THR 132 Ca -0.00 -1.21 -0.34 0.00 -2.27 0.00 0.00 64.05 60.22 1joe n THR 132 Cb 0.04 0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.34 1joe n THR 132 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1joe n GLU 133 N 1.10 3.72 -4.32 -0.78 4.07 0.37 -4.97 120.64 119.83 1joe n GLU 133 Ca 0.26 -4.36 -0.17 0.00 -0.06 0.00 0.00 57.16 52.83 1joe n GLU 133 Cb 0.94 -2.31 -0.10 0.00 -0.06 0.00 0.00 31.44 29.91 1joe n GLU 133 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1joe s HIS 134 N -3.88 1.53 -0.36 4.31 3.76 -1.26 -4.36 115.29 115.02 1joe s HIS 134 Ca 0.47 -0.95 0.02 0.00 -0.15 0.00 0.00 55.06 54.45 1joe s HIS 134 Cb 0.33 -0.89 0.15 0.00 1.11 0.00 0.00 32.58 33.28 1joe s HIS 134 CO -0.23 -0.07 0.31 0.45 -0.85 0.00 0.00 174.74 174.36 1joe s SER 135 N -3.29 1.80 0.27 1.40 0.15 -1.10 -4.85 113.70 108.08 1joe s SER 135 Ca 0.28 -1.72 -0.00 0.00 0.70 0.00 0.00 55.95 55.21 1joe s SER 135 Cb 0.06 0.24 0.53 0.00 -1.71 0.00 0.00 66.02 65.13 1joe s SER 135 CO 0.08 -0.29 1.80 0.25 1.20 0.00 0.00 173.24 176.29 1joe h LEU 136 N 7.14 0.71 -0.57 3.45 6.46 -1.94 0.14 115.31 130.71 1joe h LEU 136 Ca 0.04 0.07 0.05 0.00 -0.12 0.00 0.00 57.88 57.92 1joe h LEU 136 Cb 1.03 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.84 1joe h LEU 136 CO 0.23 0.35 0.29 -0.33 -0.62 0.00 0.00 178.44 178.36 1joe h GLU 137 N 0.79 0.53 -0.87 1.25 3.07 -1.95 -2.07 114.58 115.34 1joe h GLU 137 Ca 0.47 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.29 1joe h GLU 137 Cb 0.56 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.30 1joe h GLU 137 CO -0.31 0.35 0.51 -0.44 -1.40 0.00 0.00 179.01 177.73 1joe h ASP 138 N 0.55 1.05 0.23 1.42 5.19 -1.17 -0.68 116.42 123.01 1joe h ASP 138 Ca 0.26 -0.07 -0.04 0.00 -0.62 0.00 0.00 57.03 56.55 1joe h ASP 138 Cb 0.17 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 1joe h ASP 138 CO -0.18 0.81 -0.19 0.00 -3.12 0.00 0.00 179.24 176.57 1joe h ALA 139 N 1.28 1.59 0.09 3.45 0.00 -0.53 -2.10 119.26 123.04 1joe h ALA 139 Ca 0.31 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1joe h ALA 139 Cb -0.03 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1joe h ALA 139 CO -0.06 0.23 -0.72 0.45 0.00 0.00 0.00 179.25 179.16 1joe h HIS 140 N 0.00 0.33 0.00 0.00 3.86 -0.75 -2.43 115.15 116.16 1joe h HIS 140 Ca -0.00 -0.24 -0.02 0.00 -1.16 0.00 0.00 60.37 58.95 1joe h HIS 140 Cb 0.35 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 1joe h HIS 140 CO 0.00 1.28 -0.07 1.49 0.86 0.00 0.00 177.93 181.49 1joe h GLU 141 N -0.59 0.00 -0.01 2.45 4.81 -0.95 -0.01 114.58 120.29 1joe h GLU 141 Ca -0.15 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.88 1joe h GLU 141 Cb 1.46 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.83 1joe h GLU 141 CO 0.07 0.07 -0.88 0.82 -0.73 0.00 0.00 179.01 178.36 1joe h ILE 142 N 0.00 1.44 -0.28 2.32 2.04 -1.44 -2.93 117.51 118.66 1joe h ILE 142 Ca -0.00 -2.47 -0.09 0.00 1.00 0.00 0.00 64.86 63.31 1joe h ILE 142 Cb 0.14 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1joe h ILE 142 CO 0.01 0.73 -0.19 0.00 0.00 0.00 0.00 178.15 178.70 1joe h ALA 143 N 0.88 1.16 0.78 1.87 0.00 -0.64 -3.09 119.26 120.22 1joe h ALA 143 Ca -0.06 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1joe h ALA 143 Cb 1.50 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.16 1joe h ALA 143 CO 0.14 0.53 -0.38 0.87 0.00 0.00 0.00 179.25 180.42 1joe h LYS 144 N 0.46 -1.01 -0.61 0.00 1.57 -0.96 -2.83 116.57 113.18 1joe h LYS 144 Ca 0.08 0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.98 1joe h LYS 144 Cb 0.59 0.23 -0.07 0.00 0.08 0.00 0.00 32.23 33.06 1joe h LYS 144 CO 0.04 -0.66 -0.36 -1.71 -0.57 0.00 0.00 179.45 176.19 1joe n ASN 145 N -5.50 -0.64 -0.12 0.86 2.85 -1.12 -0.22 115.26 111.38 1joe n ASN 145 Ca -0.14 1.21 -0.13 0.00 -0.11 0.00 0.00 54.58 55.41 1joe n ASN 145 Cb 0.43 -0.20 -0.03 0.00 1.24 0.00 0.00 39.78 41.21 1joe n ASN 145 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1joe h VAL 146 N 0.00 1.28 0.85 3.44 2.07 -1.64 0.33 116.25 122.59 1joe h VAL 146 Ca 0.10 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 1joe h VAL 146 Cb 0.25 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1joe h VAL 146 CO -0.57 0.51 -0.47 0.40 0.02 0.00 0.00 177.57 177.46 1joe h ILE 147 N 0.69 0.00 0.00 4.57 2.04 -1.01 1.10 117.51 124.90 1joe h ILE 147 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1joe h ILE 147 Cb 0.94 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1joe h ILE 147 CO 0.09 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.24 1joe n ALA 148 N -2.68 -0.04 -0.38 1.87 0.00 0.70 -2.65 120.51 117.33 1joe n ALA 148 Ca -0.15 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.64 1joe n ALA 148 Cb 0.49 0.17 0.62 0.00 0.00 0.00 0.00 19.45 20.73 1joe n ALA 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1joe n ARG 149 N -1.09 -0.05 0.00 0.00 1.74 0.10 -4.93 116.66 112.43 1joe n ARG 149 Ca 0.00 1.30 0.00 0.00 -0.77 0.00 0.00 57.85 58.38 1joe n ARG 149 Cb 0.00 -2.44 0.00 0.00 -1.02 0.00 0.00 32.46 29.00 1joe n ARG 149 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1joe n GLY 150 N -1.37 -0.78 3.02 -0.13 0.00 0.38 -4.90 105.19 101.41 1joe n GLY 150 Ca 0.38 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 1joe n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1joe s ILE 151 N -2.55 1.73 0.00 -0.61 1.01 -1.25 -3.80 121.20 115.74 1joe s ILE 151 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.60 1joe s ILE 151 Cb 0.00 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.69 1joe s ILE 151 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.75 1joe n GLY 152 N 4.66 1.71 3.36 6.18 0.00 0.49 -4.80 105.19 116.78 1joe n GLY 152 Ca -0.15 -1.86 -0.18 0.00 0.00 0.00 0.00 46.02 43.82 1joe n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1joe s VAL 153 N 2.38 1.28 -0.38 1.61 0.11 -1.26 -1.08 120.40 123.06 1joe s VAL 153 Ca 0.00 -2.07 0.02 0.00 -2.93 0.00 0.00 61.98 56.99 1joe s VAL 153 Cb 0.00 -2.35 0.12 0.00 -1.53 0.00 0.00 36.38 32.62 1joe s VAL 153 CO 0.00 -0.35 0.15 0.20 -3.33 0.00 0.00 175.10 171.78 1joe s ASN 154 N -3.35 4.06 0.12 3.54 0.01 -0.94 -4.63 114.94 113.75 1joe s ASN 154 Ca 0.28 -2.21 -0.33 0.00 -0.71 0.00 0.00 52.86 49.89 1joe s ASN 154 Cb 0.05 -1.14 -0.12 0.00 0.41 0.00 0.00 41.25 40.45 1joe s ASN 154 CO 0.09 -0.34 1.74 2.29 -1.51 0.00 0.00 177.10 179.37 1joe n LYS 155 N 4.12 2.47 0.00 -0.60 2.85 -1.26 -4.65 118.16 121.08 1joe n LYS 155 Ca 0.04 0.89 0.10 0.00 -1.05 0.00 0.00 58.31 58.29 1joe n LYS 155 Cb 0.38 -2.73 0.57 0.00 -0.65 0.00 0.00 35.03 32.61 1joe n LYS 155 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64