#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 5.95 0.00 6.55 2.15 -1.26 -5.01 116.67 125.05 1joe s ASP 10 Ca 0.00 0.20 0.21 0.00 0.43 0.00 0.00 52.55 53.39 1joe s ASP 10 Cb 0.00 -2.00 1.16 0.00 -0.30 0.00 0.00 42.92 41.78 1joe s ASP 10 CO 0.00 0.23 1.76 1.41 -0.17 0.00 0.00 175.17 178.39 1joe n HIS 11 N 3.21 0.03 -0.39 -5.34 8.25 -1.26 -3.91 115.22 115.80 1joe n HIS 11 Ca -0.17 -0.01 0.10 0.00 -0.26 0.00 0.00 57.72 57.37 1joe n HIS 11 Cb 0.53 0.00 0.29 0.00 1.12 0.00 0.00 29.99 31.92 1joe n HIS 11 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1joe n THR 12 N -0.65 1.20 -0.64 1.59 -2.24 -1.26 -4.20 114.28 108.08 1joe n THR 12 Ca 0.16 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 1joe n THR 12 Cb 0.11 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 1.21 0.52 -1.93 -0.78 4.01 -1.25 -5.08 118.16 114.85 1joe n LYS 13 Ca 0.22 -0.59 -0.30 0.00 -0.51 0.00 0.00 58.31 57.12 1joe n LYS 13 Cb 0.64 -0.68 0.03 0.00 -0.51 0.00 0.00 35.03 34.50 1joe n LYS 13 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1joe s MET 14 N -0.22 3.26 0.25 1.97 -1.94 -1.26 -5.10 119.30 116.25 1joe s MET 14 Ca 0.00 0.57 0.05 0.00 -1.71 0.00 0.00 55.69 54.60 1joe s MET 14 Cb 0.00 -2.08 -0.05 0.00 2.01 0.00 0.00 34.83 34.71 1joe s MET 14 CO 0.00 -0.76 -0.03 0.54 -0.01 0.00 0.00 175.02 174.77 1joe s ASN 15 N -4.26 2.20 -0.08 3.03 4.22 -1.26 -4.90 114.94 113.90 1joe s ASN 15 Ca 0.56 -1.20 -0.19 0.00 -2.14 0.00 0.00 52.86 49.89 1joe s ASN 15 Cb -0.11 -0.06 0.04 0.00 1.28 0.00 0.00 41.25 42.40 1joe s ASN 15 CO 0.52 -0.44 0.45 0.00 -2.04 0.00 0.00 177.10 175.59 1joe s ALA 16 N -3.26 -1.14 0.27 3.54 0.00 -1.26 -4.04 121.76 115.88 1joe s ALA 16 Ca 0.29 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 1joe s ALA 16 Cb 0.05 -0.24 -0.09 0.00 0.00 0.00 0.00 23.12 22.84 1joe s ALA 16 CO 0.10 -0.27 1.02 -2.14 0.00 0.00 0.00 175.76 174.47 1joe s PRO 17 N -0.75 4.72 0.21 0.00 0.02 -1.23 -4.82 135.00 133.16 1joe s PRO 17 Ca -0.08 1.63 -0.17 0.00 0.02 0.00 0.00 61.00 62.40 1joe s PRO 17 Cb -0.03 -3.19 0.02 0.00 0.02 0.00 0.00 34.50 31.32 1joe s PRO 17 CO 0.04 0.34 0.54 0.00 -0.33 0.00 0.00 177.00 177.59 1joe s ALA 18 N -1.21 -0.87 0.08 -1.55 0.00 0.46 0.30 121.76 118.97 1joe s ALA 18 Ca 0.44 -0.33 0.09 0.00 0.00 0.00 0.00 51.96 52.16 1joe s ALA 18 Cb -0.28 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 1joe s ALA 18 CO 0.36 -0.84 -0.24 0.08 0.00 0.00 0.00 175.76 175.11 1joe s VAL 19 N -3.90 2.01 -0.12 0.00 1.01 0.29 -1.74 120.40 117.95 1joe s VAL 19 Ca 0.11 -1.49 -0.23 0.00 0.00 0.00 0.00 61.98 60.38 1joe s VAL 19 Cb -0.02 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.66 1joe s VAL 19 CO 0.00 0.18 0.56 -0.60 0.00 0.00 0.00 175.10 175.24 1joe s ARG 20 N -1.59 0.80 -0.71 2.72 3.52 -1.20 -0.99 118.95 121.49 1joe s ARG 20 Ca 0.11 0.43 -0.23 0.00 -0.13 0.00 0.00 55.73 55.90 1joe s ARG 20 Cb -0.10 0.38 0.06 0.00 -1.56 0.00 0.00 34.95 33.74 1joe s ARG 20 CO 0.04 -0.18 1.08 0.42 -0.81 0.00 0.00 175.30 175.84 1joe s ILE 21 N -0.51 4.19 0.50 4.11 1.01 -1.26 0.55 121.20 129.79 1joe s ILE 21 Ca -0.06 -0.28 0.18 0.00 0.00 0.00 0.00 60.65 60.48 1joe s ILE 21 Cb -0.03 -4.77 0.26 0.00 0.01 0.00 0.00 42.46 37.93 1joe s ILE 21 CO 0.05 -1.58 2.12 0.00 0.00 0.00 0.00 174.94 175.52 1joe h ALA 22 N 9.64 1.84 -1.02 9.38 0.00 -1.09 -3.45 119.26 134.55 1joe h ALA 22 Ca -0.23 -0.05 0.22 0.00 0.00 0.00 0.00 54.91 54.85 1joe h ALA 22 Cb 1.06 -0.01 -0.32 0.00 0.00 0.00 0.00 17.79 18.52 1joe h ALA 22 CO 1.21 0.07 0.94 -1.59 0.00 0.00 0.00 179.25 179.88 1joe s LYS 23 N -4.87 0.02 -0.08 0.00 -2.85 -0.76 -4.99 119.74 106.21 1joe s LYS 23 Ca -0.05 0.02 0.01 0.00 -1.00 0.00 0.00 55.97 54.95 1joe s LYS 23 Cb 0.16 0.01 0.02 0.00 -2.06 0.00 0.00 37.83 35.96 1joe s LYS 23 CO 0.66 -0.00 -0.11 0.95 0.10 0.00 0.00 175.35 176.95 1joe s THR 24 N -0.30 1.10 0.00 3.79 -4.23 -1.26 0.15 115.64 114.88 1joe s THR 24 Ca 0.08 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 1joe s THR 24 Cb -0.04 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 72.76 1joe s THR 24 CO -0.14 0.36 0.00 0.23 -0.54 0.00 0.00 174.62 174.53 1joe n MET 25 N 4.18 3.55 -3.63 3.99 0.00 -0.87 -4.95 117.12 119.39 1joe n MET 25 Ca -0.20 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.45 1joe n MET 25 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.67 1joe n MET 25 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1joe s LEU 26 N 0.00 -0.89 0.59 4.03 0.20 -1.26 -2.96 118.68 118.40 1joe s LEU 26 Ca 0.00 1.37 -0.20 0.00 0.69 0.00 0.00 54.13 55.99 1joe s LEU 26 Cb 0.00 2.23 -0.03 0.00 -0.43 0.00 0.00 46.19 47.95 1joe s LEU 26 CO 0.00 -0.21 1.34 0.42 -0.29 0.00 0.00 176.35 177.61 1joe s THR 27 N 1.83 2.01 0.28 3.68 -4.23 0.26 -4.85 115.64 114.63 1joe s THR 27 Ca -0.09 0.01 -0.05 0.00 -1.18 0.00 0.00 61.69 60.38 1joe s THR 27 Cb -0.06 -3.00 0.39 0.00 1.34 0.00 0.00 72.50 71.17 1joe s THR 27 CO -0.19 -0.00 1.58 -0.65 -0.54 0.00 0.00 174.62 174.82 1joe h PRO 28 N 1.08 0.02 0.00 3.99 0.11 -2.01 0.37 132.00 135.55 1joe h PRO 28 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1joe h PRO 28 Cb 1.32 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1joe h PRO 28 CO 0.55 0.01 0.00 1.63 -0.21 0.00 0.00 178.00 179.99 1joe n LYS 29 N -5.52 0.09 0.00 1.05 5.02 -1.26 -4.89 118.16 112.65 1joe n LYS 29 Ca 0.17 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1joe n LYS 29 Cb 0.56 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 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 0.75 1.50 3.63 0.72 0.00 0.13 -5.13 105.19 106.79 1joe n GLY 30 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.84 2.49 -0.06 1.61 1.11 -1.24 -4.55 116.67 115.20 1joe s ASP 31 Ca 0.00 1.79 0.00 0.00 0.18 0.00 0.00 52.55 54.53 1joe s ASP 31 Cb 0.00 -2.39 -0.03 0.00 1.07 0.00 0.00 42.92 41.57 1joe s ASP 31 CO 0.00 -3.30 -0.03 0.20 1.18 0.00 0.00 175.17 173.21 1joe s ASN 32 N -2.83 4.91 -0.40 0.27 0.01 -1.26 0.93 114.94 116.57 1joe s ASN 32 Ca 0.66 0.03 0.02 0.00 -0.71 0.00 0.00 52.86 52.86 1joe s ASN 32 Cb -0.22 -1.29 0.12 0.00 0.41 0.00 0.00 41.25 40.27 1joe s ASN 32 CO 0.60 0.35 0.17 -0.63 -1.51 0.00 0.00 177.10 176.08 1joe s ILE 33 N -0.89 1.54 -0.26 0.60 -1.09 -1.15 -2.59 121.20 117.36 1joe s ILE 33 Ca 0.14 -2.30 -0.26 0.00 -2.23 0.00 0.00 60.65 56.00 1joe s ILE 33 Cb -0.11 -2.11 0.00 0.00 -1.58 0.00 0.00 42.46 38.66 1joe s ILE 33 CO 0.03 -0.78 0.93 -0.89 -1.23 0.00 0.00 174.94 173.00 1joe s THR 34 N 0.71 4.73 -0.21 2.92 2.01 -1.04 -2.05 115.64 122.70 1joe s THR 34 Ca 0.14 1.66 -0.10 0.00 0.31 0.00 0.00 61.69 63.70 1joe s THR 34 Cb -0.22 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.01 1joe s THR 34 CO -0.08 -0.21 0.15 -0.69 -0.69 0.00 0.00 174.62 173.11 1joe s VAL 35 N 3.11 5.39 0.36 3.82 1.01 0.39 -2.20 120.40 132.28 1joe s VAL 35 Ca 0.39 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.66 1joe s VAL 35 Cb -0.14 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1joe s VAL 35 CO 0.09 0.41 0.33 -0.36 0.00 0.00 0.00 175.10 175.57 1joe s PHE 36 N 0.57 2.84 -0.57 5.22 0.08 0.50 -0.60 117.98 126.02 1joe s PHE 36 Ca 0.09 -0.37 0.06 0.00 0.12 0.00 0.00 56.93 56.82 1joe s PHE 36 Cb -0.12 -1.94 0.21 0.00 -0.57 0.00 0.00 43.02 40.60 1joe s PHE 36 CO 0.00 0.07 0.54 -3.47 -0.10 0.00 0.00 175.22 172.26 1joe n ASP 37 N -1.44 2.00 -4.58 1.36 -0.08 0.19 -2.87 116.55 111.13 1joe n ASP 37 Ca 0.00 -3.01 -0.24 0.00 -1.51 0.00 0.00 54.79 50.03 1joe n ASP 37 Cb 0.60 -0.67 -0.08 0.00 2.34 0.00 0.00 41.12 43.32 1joe n ASP 37 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1joe s LEU 38 N -1.41 2.83 -0.49 -2.67 1.43 -0.90 -3.23 118.68 114.24 1joe s LEU 38 Ca 0.33 -1.37 -0.29 0.00 -1.03 0.00 0.00 54.13 51.77 1joe s LEU 38 Cb 0.07 -2.59 0.02 0.00 0.03 0.00 0.00 46.19 43.72 1joe s LEU 38 CO -0.12 -3.62 1.25 -0.60 0.23 0.00 0.00 176.35 173.49 1joe s ARG 39 N 7.17 3.59 -0.16 1.70 6.06 -0.71 -1.60 118.95 135.01 1joe s ARG 39 Ca 0.73 0.58 -0.19 0.00 -2.50 0.00 0.00 55.73 54.35 1joe s ARG 39 Cb -0.03 -3.99 -0.16 0.00 0.06 0.00 0.00 34.95 30.84 1joe s ARG 39 CO 0.14 -1.56 0.30 0.74 -2.50 0.00 0.00 175.30 172.42 1joe h PHE 40 N 9.90 0.00 -3.68 5.12 0.04 0.70 0.13 116.94 129.16 1joe h PHE 40 Ca -0.25 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 59.84 1joe h PHE 40 Cb 1.07 0.00 -0.22 0.00 2.20 0.00 0.00 35.95 39.01 1joe h PHE 40 CO 1.00 0.87 -0.72 0.00 -0.60 0.00 0.00 178.31 178.85 1joe n ILE 42 N 2.60 0.41 -1.70 0.00 2.08 -1.26 -4.76 119.36 116.72 1joe n ILE 42 Ca -0.18 -0.39 -0.56 0.00 0.56 0.00 0.00 62.75 62.18 1joe n ILE 42 Cb 0.53 -2.45 -0.07 0.00 -0.75 0.00 0.00 39.64 36.90 1joe n ILE 42 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1joe n PRO 43 N 8.46 1.25 -2.65 0.38 -0.02 -1.26 -2.66 135.00 138.50 1joe n PRO 43 Ca 0.29 0.46 -0.05 0.00 -2.02 0.00 0.00 63.50 62.17 1joe n PRO 43 Cb 0.42 -2.15 0.02 0.00 -0.02 0.00 0.00 33.50 31.77 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 5.28 -2.78 0.00 2.55 3.02 -1.26 -4.86 115.26 117.21 1joe n ASN 44 Ca 0.26 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1joe n ASN 44 Cb 0.15 -1.57 0.00 0.00 -0.61 0.00 0.00 39.78 37.75 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 -1.60 2.27 -3.49 3.52 4.76 -1.09 -5.13 118.16 117.39 1joe n LYS 45 Ca -0.02 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.27 1joe n LYS 45 Cb 0.52 -0.24 -0.05 0.00 -1.84 0.00 0.00 35.03 33.42 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 -0.21 1.08 -0.01 1.97 -1.05 -1.23 -5.05 118.70 114.20 1joe s GLU 46 Ca 0.00 0.02 -0.04 0.00 -0.15 0.00 0.00 54.97 54.80 1joe s GLU 46 Cb 0.00 0.51 -0.00 0.00 -0.44 0.00 0.00 34.13 34.20 1joe s GLU 46 CO 0.00 -0.39 0.09 -1.50 0.95 0.00 0.00 175.26 174.41 1joe s ILE 47 N -1.99 0.06 0.18 1.83 2.07 -1.26 -4.67 121.20 117.42 1joe s ILE 47 Ca -0.06 -0.52 -0.30 0.00 -1.41 0.00 0.00 60.65 58.35 1joe s ILE 47 Cb -0.00 -0.30 -0.08 0.00 0.13 0.00 0.00 42.46 42.20 1joe s ILE 47 CO 0.02 -0.29 1.28 -0.76 -1.91 0.00 0.00 174.94 173.28 1joe s LEU 48 N -0.94 4.42 0.59 8.50 1.02 -0.79 -4.99 118.68 126.49 1joe s LEU 48 Ca -0.10 2.33 -0.20 0.00 0.02 0.00 0.00 54.13 56.18 1joe s LEU 48 Cb -0.06 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.50 1joe s LEU 48 CO 0.00 -0.49 1.18 -0.24 0.02 0.00 0.00 176.35 176.83 1joe n SER 49 N 2.75 1.74 0.17 2.29 2.88 -1.26 -4.86 113.62 117.33 1joe n SER 49 Ca 0.06 0.88 0.13 0.00 -1.33 0.00 0.00 58.87 58.61 1joe n SER 49 Cb 0.43 -1.49 0.56 0.00 -0.75 0.00 0.00 64.21 62.96 1joe n SER 49 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1joe h PRO 50 N 0.83 0.00 0.01 -1.46 0.11 -1.99 -2.56 132.00 126.94 1joe h PRO 50 Ca -0.50 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.25 1joe h PRO 50 Cb 1.34 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.39 1joe h PRO 50 CO 0.54 0.00 -2.26 1.63 -0.21 0.00 0.00 178.00 177.70 1joe n LYS 51 N -2.44 0.68 0.14 1.05 5.02 -1.26 -4.27 118.16 117.08 1joe n LYS 51 Ca 0.01 0.10 0.01 0.00 -2.02 0.00 0.00 58.31 56.41 1joe n LYS 51 Cb 0.23 -1.58 0.16 0.00 -0.02 0.00 0.00 35.03 33.82 1joe n LYS 51 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1joe h GLY 52 N 3.32 0.00 1.77 0.72 0.00 -1.78 -3.05 103.07 104.05 1joe h GLY 52 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1joe h GLY 52 CO 0.02 0.00 -0.19 1.19 0.00 0.00 0.00 176.54 177.56 1joe h ILE 53 N 0.00 0.00 0.00 2.60 2.10 -1.66 -1.18 117.51 119.37 1joe h ILE 53 Ca -0.01 -0.64 -0.05 0.00 1.08 0.00 0.00 64.86 65.25 1joe h ILE 53 Cb 1.17 1.53 -0.01 0.00 -1.09 0.00 0.00 36.82 38.42 1joe h ILE 53 CO 0.08 0.00 -0.28 -0.74 -1.08 0.00 0.00 178.15 176.13 1joe h HIS 54 N 0.00 0.00 -0.86 2.19 2.76 -1.73 -0.74 115.15 116.77 1joe h HIS 54 Ca 0.00 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.23 1joe h HIS 54 Cb 0.82 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.73 1joe h HIS 54 CO 0.00 0.92 0.56 1.15 -1.30 0.00 0.00 177.93 179.26 1joe h THR 55 N -1.00 1.07 -0.20 6.26 2.02 -1.62 0.86 112.91 120.30 1joe h THR 55 Ca -0.07 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.70 1joe h THR 55 Cb 0.90 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1joe h THR 55 CO -0.04 0.18 -0.17 0.25 0.37 0.00 0.00 175.52 176.11 1joe h LEU 56 N 0.97 0.50 -0.61 2.58 5.85 -1.27 -2.79 115.31 120.54 1joe h LEU 56 Ca 0.36 -0.46 0.13 0.00 0.84 0.00 0.00 57.88 58.75 1joe h LEU 56 Cb 0.18 -0.14 -0.11 0.00 0.37 0.00 0.00 40.66 40.97 1joe h LEU 56 CO -0.13 0.85 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.72 1joe h GLU 57 N 0.16 0.09 0.00 1.25 4.81 -0.93 0.30 114.58 120.27 1joe h GLU 57 Ca 0.04 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1joe h GLU 57 Cb 0.70 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 1joe h GLU 57 CO 0.04 0.06 -0.10 0.45 -0.73 0.00 0.00 179.01 178.74 1joe h HIS 58 N 0.10 0.00 0.00 0.92 3.86 -0.57 -3.31 115.15 116.15 1joe h HIS 58 Ca 0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 1joe h HIS 58 Cb 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1joe h HIS 58 CO -0.38 0.10 -0.34 1.28 0.86 0.00 0.00 177.93 179.44 1joe n LEU 59 N -4.17 0.78 -0.22 2.43 4.77 -0.68 -4.30 117.00 115.61 1joe n LEU 59 Ca -0.03 0.22 0.05 0.00 -0.03 0.00 0.00 56.01 56.23 1joe n LEU 59 Cb 0.18 -0.62 0.11 0.00 -2.33 0.00 0.00 43.42 40.77 1joe n LEU 59 CO 0.33 -0.43 0.43 0.33 -1.33 0.00 0.00 177.39 176.72 1joe n PHE 60 N -3.28 0.27 0.11 -1.77 7.35 0.98 0.19 117.46 121.32 1joe n PHE 60 Ca -0.05 0.76 -0.01 0.00 -0.76 0.00 0.00 57.45 57.39 1joe n PHE 60 Cb 0.18 -0.89 0.03 0.00 0.35 0.00 0.00 39.48 39.15 1joe n PHE 60 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1joe h ALA 61 N 1.25 0.63 0.10 3.13 0.00 -1.77 0.92 119.26 123.52 1joe h ALA 61 Ca 0.32 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1joe h ALA 61 Cb 0.54 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1joe h ALA 61 CO -0.63 0.87 -0.05 0.78 0.00 0.00 0.00 179.25 180.22 1joe h GLY 62 N 2.91 -0.14 1.22 0.00 0.00 0.19 -1.85 103.07 105.39 1joe h GLY 62 Ca -0.01 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.39 1joe h GLY 62 CO 0.09 -0.05 0.51 0.74 0.00 0.00 0.00 176.54 177.83 1joe h PHE 63 N -0.14 0.96 -0.24 5.60 0.04 -1.27 -0.79 116.94 121.10 1joe h PHE 63 Ca -0.01 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1joe h PHE 63 Cb 0.10 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 1joe h PHE 63 CO 0.20 0.59 -0.02 0.52 -0.60 0.00 0.00 178.31 179.00 1joe h MET 64 N 1.03 0.35 -0.42 1.51 2.86 0.84 0.51 114.93 121.61 1joe h MET 64 Ca 0.29 -0.06 0.09 0.00 -2.06 0.00 0.00 59.70 57.95 1joe h MET 64 Cb -0.09 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 1joe h MET 64 CO -0.07 0.40 0.29 -0.09 1.06 0.00 0.00 176.91 178.51 1joe h ARG 65 N 0.35 0.16 0.00 1.72 2.43 -0.26 -2.09 114.38 116.69 1joe h ARG 65 Ca 0.08 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1joe h ARG 65 Cb 0.27 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1joe h ARG 65 CO 0.01 0.11 0.00 -0.25 -1.51 0.00 0.00 179.97 178.33 1joe n ASP 66 N -4.45 0.00 -1.70 -3.80 8.00 0.18 -3.34 116.55 111.44 1joe n ASP 66 Ca 0.06 0.49 -0.06 0.00 0.71 0.00 0.00 54.79 55.99 1joe n ASP 66 Cb 0.38 -0.12 0.21 0.00 -0.02 0.00 0.00 41.12 41.57 1joe n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1joe n HIS 67 N -0.85 1.86 0.00 1.24 1.44 -1.09 -4.28 115.22 113.55 1joe n HIS 67 Ca 0.00 -1.00 -0.03 0.00 -2.01 0.00 0.00 57.72 54.67 1joe n HIS 67 Cb 0.00 -0.58 -0.01 0.00 0.12 0.00 0.00 29.99 29.52 1joe n HIS 67 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1joe n LEU 68 N -0.12 1.25 -4.66 2.39 0.00 -0.79 -4.82 117.00 110.25 1joe n LEU 68 Ca 0.32 0.18 -0.45 0.00 0.00 0.00 0.00 56.01 56.06 1joe n LEU 68 Cb 1.14 -0.43 -0.02 0.00 0.00 0.00 0.00 43.42 44.11 1joe n LEU 68 CO 0.34 -0.51 0.91 0.59 0.00 0.00 0.00 177.39 178.72 1joe n ASN 69 N -3.72 2.43 0.00 1.96 4.13 -1.21 -4.82 115.26 114.02 1joe n ASN 69 Ca -0.06 1.16 0.00 0.00 1.68 0.00 0.00 54.58 57.36 1joe n ASN 69 Cb 0.22 -1.40 0.00 0.00 -1.54 0.00 0.00 39.78 37.06 1joe n ASN 69 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1joe n GLY 70 N 1.79 4.29 0.00 7.41 0.00 0.36 -4.91 105.19 114.12 1joe n GLY 70 Ca 0.10 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1joe n GLY 70 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1joe n ASP 71 N 0.00 0.17 -0.00 1.61 -0.08 -1.26 -4.61 116.55 112.37 1joe n ASP 71 Ca 0.00 -0.55 0.06 0.00 -1.51 0.00 0.00 54.79 52.79 1joe n ASP 71 Cb 0.00 0.73 -0.08 0.00 2.34 0.00 0.00 41.12 44.11 1joe n ASP 71 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1joe n SER 72 N -0.73 1.05 -3.86 1.67 2.88 -1.26 -4.92 113.62 108.44 1joe n SER 72 Ca 0.00 -0.54 -0.23 0.00 -1.33 0.00 0.00 58.87 56.77 1joe n SER 72 Cb 0.00 1.20 -0.17 0.00 -0.75 0.00 0.00 64.21 64.50 1joe n SER 72 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1joe s ILE 73 N -2.45 0.64 -0.12 2.46 1.01 -1.26 -4.20 121.20 117.28 1joe s ILE 73 Ca 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.58 1joe s ILE 73 Cb 0.09 -0.70 0.02 0.00 0.01 0.00 0.00 42.46 41.88 1joe s ILE 73 CO 0.54 0.28 -0.14 -0.70 0.00 0.00 0.00 174.94 174.91 1joe s GLU 74 N 1.44 2.18 0.41 2.79 2.12 -0.71 -0.49 118.70 126.45 1joe s GLU 74 Ca -0.02 -0.53 -0.26 0.00 0.36 0.00 0.00 54.97 54.52 1joe s GLU 74 Cb -0.13 -1.92 -0.09 0.00 0.26 0.00 0.00 34.13 32.25 1joe s GLU 74 CO -0.03 -0.13 1.31 0.42 -0.54 0.00 0.00 175.26 176.28 1joe s ILE 75 N 1.19 2.59 -0.20 -3.70 1.01 -1.26 0.11 121.20 120.94 1joe s ILE 75 Ca -0.02 0.52 -0.07 0.00 0.00 0.00 0.00 60.65 61.08 1joe s ILE 75 Cb -0.14 -3.31 -0.10 0.00 0.01 0.00 0.00 42.46 38.93 1joe s ILE 75 CO -0.05 0.07 -0.23 -0.38 0.00 0.00 0.00 174.94 174.35 1joe n ILE 76 N 0.07 1.11 -3.50 2.92 5.41 0.02 -4.83 119.36 120.56 1joe n ILE 76 Ca 0.04 -0.32 -0.10 0.00 1.00 0.00 0.00 62.75 63.37 1joe n ILE 76 Cb 0.44 -1.60 -0.03 0.00 -0.71 0.00 0.00 39.64 37.74 1joe n ILE 76 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1joe s ASP 77 N -6.54 -0.41 -0.02 4.38 2.15 -1.16 -5.03 116.67 110.04 1joe s ASP 77 Ca -0.28 0.09 0.02 0.00 0.43 0.00 0.00 52.55 52.81 1joe s ASP 77 Cb 0.10 0.42 0.01 0.00 -0.30 0.00 0.00 42.92 43.14 1joe s ASP 77 CO 0.38 -0.64 -0.05 -0.63 -0.17 0.00 0.00 175.17 174.06 1joe s ILE 78 N -2.85 0.47 0.00 4.11 1.01 -1.26 -2.09 121.20 120.59 1joe s ILE 78 Ca 0.03 -0.19 -0.14 0.00 0.00 0.00 0.00 60.65 60.35 1joe s ILE 78 Cb -0.01 -0.43 0.02 0.00 0.01 0.00 0.00 42.46 42.05 1joe s ILE 78 CO -0.07 0.16 0.29 -0.55 0.00 0.00 0.00 174.94 174.77 1joe s SER 79 N 0.24 -0.15 0.60 3.58 0.15 -1.13 -4.97 113.70 112.01 1joe s SER 79 Ca -0.03 -0.01 -0.16 0.00 0.70 0.00 0.00 55.95 56.45 1joe s SER 79 Cb -0.07 0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 64.52 1joe s SER 79 CO -0.00 -0.48 1.07 -2.16 1.20 0.00 0.00 173.24 172.87 1joe s PRO 80 N -1.63 3.25 0.42 5.44 0.04 -1.26 -1.47 135.00 139.80 1joe s PRO 80 Ca -0.12 1.26 -0.07 0.00 0.04 0.00 0.00 61.00 62.11 1joe s PRO 80 Cb -0.04 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1joe s PRO 80 CO 0.02 -0.87 0.74 -1.64 0.04 0.00 0.00 177.00 175.30 1joe s MET 81 N -4.01 3.65 0.22 4.56 -1.94 -1.08 -4.80 119.30 115.90 1joe s MET 81 Ca 0.65 0.28 -0.08 0.00 -1.71 0.00 0.00 55.69 54.83 1joe s MET 81 Cb -0.17 -2.42 0.27 0.00 2.01 0.00 0.00 34.83 34.52 1joe s MET 81 CO 0.37 -0.07 1.82 0.78 -0.01 0.00 0.00 175.02 177.90 1joe h GLY 82 N 0.87 1.07 2.00 -0.03 0.00 -1.96 -1.99 103.07 103.03 1joe h GLY 82 Ca -0.47 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 46.50 1joe h GLY 82 CO 0.63 0.19 -0.32 0.00 0.00 0.00 0.00 176.54 177.04 1joe n ARG 84 N -3.57 -0.93 -0.04 0.00 1.74 -0.75 -4.82 116.66 108.30 1joe n ARG 84 Ca -0.01 0.30 0.07 0.00 -0.77 0.00 0.00 57.85 57.45 1joe n ARG 84 Cb 0.45 -4.05 0.08 0.00 -1.02 0.00 0.00 32.46 27.93 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 -3.86 0.16 -2.82 0.55 -2.24 -1.26 -1.89 114.28 102.91 1joe n THR 85 Ca -0.06 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1joe n THR 85 Cb 0.55 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 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 0.84 1.50 3.33 3.38 0.00 -1.26 0.12 105.19 113.10 1joe n GLY 86 Ca 0.10 -0.71 -0.17 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.95 1.56 -0.28 1.61 0.40 -0.63 -2.63 117.98 115.06 1joe s PHE 87 Ca 0.00 -0.92 -0.04 0.00 -0.60 0.00 0.00 56.93 55.37 1joe s PHE 87 Cb 0.00 -0.91 0.03 0.00 0.51 0.00 0.00 43.02 42.65 1joe s PHE 87 CO 0.00 -0.04 0.01 0.71 0.70 0.00 0.00 175.22 176.60 1joe s TYR 88 N -3.42 3.14 -0.25 0.36 4.12 -0.54 -2.12 117.35 118.64 1joe s TYR 88 Ca 0.28 -1.42 -0.11 0.00 0.02 0.00 0.00 57.07 55.85 1joe s TYR 88 Cb 0.06 -2.15 -0.05 0.00 -1.52 0.00 0.00 41.96 38.30 1joe s TYR 88 CO 0.09 -0.69 0.17 1.41 0.02 0.00 0.00 175.55 176.55 1joe s MET 89 N 1.37 4.04 -0.05 -0.62 1.75 -1.14 -2.86 119.30 121.80 1joe s MET 89 Ca -0.00 -0.27 0.04 0.00 -1.25 0.00 0.00 55.69 54.21 1joe s MET 89 Cb -0.18 -3.57 -0.02 0.00 2.84 0.00 0.00 34.83 33.90 1joe s MET 89 CO -0.01 -0.01 -0.16 -1.54 -0.65 0.00 0.00 175.02 172.65 1joe s SER 90 N 1.25 3.90 0.29 1.11 1.04 -0.89 0.19 113.70 120.59 1joe s SER 90 Ca 0.08 -0.23 -0.18 0.00 0.48 0.00 0.00 55.95 56.09 1joe s SER 90 Cb -0.14 -0.79 0.02 0.00 0.10 0.00 0.00 66.02 65.21 1joe s SER 90 CO 0.06 0.34 0.68 -1.48 0.98 0.00 0.00 173.24 173.83 1joe s LEU 91 N -0.70 -0.08 -0.14 2.42 0.05 -0.93 -0.80 118.68 118.49 1joe s LEU 91 Ca 0.11 -0.77 -0.11 0.00 0.05 0.00 0.00 54.13 53.41 1joe s LEU 91 Cb -0.11 2.55 -0.05 0.00 -2.05 0.00 0.00 46.19 46.53 1joe s LEU 91 CO 0.00 -1.36 0.21 -0.63 -0.55 0.00 0.00 176.35 174.02 1joe s ILE 92 N -3.67 5.37 0.00 1.48 1.01 0.31 -2.51 121.20 123.18 1joe s ILE 92 Ca 0.14 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.16 1joe s ILE 92 Cb -0.05 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.90 1joe s ILE 92 CO 0.08 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.13 1joe n GLY 93 N 2.82 2.49 2.46 6.18 0.00 -1.07 -1.74 105.19 116.34 1joe n GLY 93 Ca -0.16 -2.11 -0.25 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.15 1.48 -3.32 2.61 5.66 -1.26 -4.03 114.28 114.27 1joe n THR 94 Ca 0.00 -4.95 -0.37 0.00 -3.05 0.00 0.00 64.05 55.68 1joe n THR 94 Cb 0.00 -1.63 -0.06 0.00 -1.55 0.00 0.00 70.33 67.09 1joe n THR 94 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1joe s PRO 95 N -2.43 4.10 0.65 1.09 0.04 -1.26 -5.07 135.00 132.12 1joe s PRO 95 Ca 0.41 0.63 -0.07 0.00 0.04 0.00 0.00 61.00 62.00 1joe s PRO 95 Cb 0.22 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.65 1joe s PRO 95 CO -0.07 0.59 0.98 0.54 0.04 0.00 0.00 177.00 179.07 1joe s ASN 96 N -1.31 5.35 0.33 6.66 2.20 -1.26 -4.87 114.94 122.04 1joe s ASN 96 Ca 0.31 0.74 0.05 0.00 -0.94 0.00 0.00 52.86 53.02 1joe s ASN 96 Cb -0.18 -1.60 0.68 0.00 -2.00 0.00 0.00 41.25 38.15 1joe s ASN 96 CO 0.18 -1.27 1.88 -0.33 -2.94 0.00 0.00 177.10 174.63 1joe h GLU 97 N -0.40 0.83 -0.42 3.55 3.07 -1.97 0.12 114.58 119.36 1joe h GLU 97 Ca -0.45 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.27 1joe h GLU 97 Cb 1.27 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.98 1joe h GLU 97 CO 0.61 0.55 -0.09 0.37 -1.40 0.00 0.00 179.01 179.05 1joe h GLN 98 N 0.85 0.73 0.58 2.33 4.15 -1.97 1.45 115.11 123.23 1joe h GLN 98 Ca 0.43 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.60 1joe h GLN 98 Cb 0.48 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 1joe h GLN 98 CO -0.19 0.80 -0.34 -0.22 -1.93 0.00 0.00 178.83 176.95 1joe h LYS 99 N 0.67 -0.84 -0.51 1.69 3.64 -1.14 -2.07 116.57 118.01 1joe h LYS 99 Ca 0.12 0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 1joe h LYS 99 Cb 0.54 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1joe h LYS 99 CO 0.03 -0.56 0.04 0.28 -2.27 0.00 0.00 179.45 176.98 1joe h VAL 100 N -0.87 1.24 -0.65 2.00 2.07 -1.14 -2.74 116.25 116.16 1joe h VAL 100 Ca -0.07 -0.95 0.04 0.00 0.82 0.00 0.00 66.70 66.54 1joe h VAL 100 Cb 0.70 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1joe h VAL 100 CO 0.08 0.34 0.38 0.77 0.02 0.00 0.00 177.57 179.16 1joe h SER 101 N 0.78 0.59 -0.07 0.57 4.64 0.21 0.27 113.55 120.55 1joe h SER 101 Ca 0.16 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1joe h SER 101 Cb 0.41 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1joe h SER 101 CO 0.01 0.40 0.04 -0.08 -0.87 0.00 0.00 176.83 176.34 1joe h GLU 102 N 0.72 0.08 0.14 4.77 4.57 -1.08 -2.33 114.58 121.44 1joe h GLU 102 Ca 0.27 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 1joe h GLU 102 Cb 0.10 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1joe h GLU 102 CO -0.14 0.05 -0.07 0.00 -1.18 0.00 0.00 179.01 177.67 1joe h ALA 103 N 1.96 -0.19 -0.47 2.92 0.00 -0.80 -2.91 119.26 119.78 1joe h ALA 103 Ca 0.02 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.85 1joe h ALA 103 Cb 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1joe h ALA 103 CO -0.00 -0.24 0.33 2.35 0.00 0.00 0.00 179.25 181.69 1joe h TRP 104 N -0.91 0.01 0.01 0.00 7.01 -0.96 0.03 115.95 121.14 1joe h TRP 104 Ca -0.02 0.00 -0.22 0.00 2.11 0.00 0.00 58.89 60.76 1joe h TRP 104 Cb 0.51 -0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.56 1joe h TRP 104 CO 0.09 0.01 -0.94 1.25 -2.79 0.00 0.00 178.44 176.06 1joe h LEU 105 N 0.01 0.47 -0.49 0.65 5.85 -1.48 -2.88 115.31 117.44 1joe h LEU 105 Ca 0.22 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1joe h LEU 105 Cb 0.87 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1joe h LEU 105 CO -0.01 1.19 0.27 0.00 -0.34 0.00 0.00 178.44 179.55 1joe h ALA 106 N 0.78 0.63 -0.05 1.25 0.00 -0.79 -3.24 119.26 117.84 1joe h ALA 106 Ca -0.07 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1joe h ALA 106 Cb 1.58 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1joe h ALA 106 CO 0.16 0.14 -0.13 0.77 0.00 0.00 0.00 179.25 180.20 1joe h SER 107 N 0.65 -0.37 -0.74 0.00 0.02 -1.37 -2.09 113.55 109.65 1joe h SER 107 Ca 0.17 0.06 0.12 0.00 -0.84 0.00 0.00 61.79 61.31 1joe h SER 107 Cb 0.04 0.17 -0.09 0.00 0.14 0.00 0.00 62.40 62.66 1joe h SER 107 CO -0.03 -0.17 0.32 0.24 -1.14 0.00 0.00 176.83 176.05 1joe h MET 108 N -0.19 0.49 0.01 3.45 2.07 -1.57 0.72 114.93 119.91 1joe h MET 108 Ca 0.06 -0.03 0.03 0.00 -2.07 0.00 0.00 59.70 57.69 1joe h MET 108 Cb 0.27 -0.11 -0.05 0.00 -1.87 0.00 0.00 31.60 29.84 1joe h MET 108 CO -0.16 0.32 -0.43 1.96 1.07 0.00 0.00 176.91 179.68 1joe h GLN 109 N 0.50 -0.57 -0.16 1.72 1.08 -1.42 0.31 115.11 116.57 1joe h GLN 109 Ca 0.39 0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.68 1joe h GLN 109 Cb 0.54 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 1joe h GLN 109 CO -0.35 -0.38 0.19 -0.44 -0.95 0.00 0.00 178.83 176.90 1joe h ASP 110 N -0.59 0.00 0.23 1.46 3.45 -0.42 0.84 116.42 121.39 1joe h ASP 110 Ca 0.04 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.49 1joe h ASP 110 Cb 0.66 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.43 1joe h ASP 110 CO -0.31 0.00 -0.11 0.58 -1.57 0.00 0.00 179.24 177.82 1joe h VAL 111 N 0.00 0.79 -0.89 -1.35 2.07 0.41 -2.90 116.25 114.38 1joe h VAL 111 Ca 0.08 -0.13 0.13 0.00 0.82 0.00 0.00 66.70 67.59 1joe h VAL 111 Cb 0.46 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 1joe h VAL 111 CO -0.00 0.03 0.57 0.25 0.02 0.00 0.00 177.57 178.44 1joe h LEU 112 N -0.38 0.71 -0.74 2.57 7.12 0.36 -1.24 115.31 123.70 1joe h LEU 112 Ca -0.03 0.03 0.17 0.00 0.13 0.00 0.00 57.88 58.18 1joe h LEU 112 Cb 0.29 -0.11 -0.13 0.00 -0.53 0.00 0.00 40.66 40.19 1joe h LEU 112 CO 0.05 0.38 0.03 1.23 -0.13 0.00 0.00 178.44 180.00 1joe h GLY 113 N 0.76 0.86 -4.25 3.75 0.00 -0.96 -3.41 103.07 99.82 1joe h GLY 113 Ca 0.43 0.09 -0.54 0.00 0.00 0.00 0.00 47.33 47.31 1joe h GLY 113 CO -0.20 -0.27 0.83 -0.62 0.00 0.00 0.00 176.54 176.28 1joe n VAL 114 N -5.32 1.26 -0.03 4.60 0.31 -0.47 -4.91 118.33 113.77 1joe n VAL 114 Ca 0.13 -0.31 -0.07 0.00 -0.01 0.00 0.00 64.34 64.08 1joe n VAL 114 Cb 0.47 -1.93 -0.02 0.00 -0.91 0.00 0.00 33.84 31.44 1joe n VAL 114 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1joe n GLN 115 N 1.73 0.27 -4.00 5.55 1.13 -1.26 -5.00 117.38 115.80 1joe n GLN 115 Ca 0.07 0.11 -0.36 0.00 -1.94 0.00 0.00 57.00 54.88 1joe n GLN 115 Cb 0.37 -0.97 -0.07 0.00 0.11 0.00 0.00 30.24 29.68 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 -6.03 6.12 0.00 1.08 3.84 -1.26 -4.97 116.67 115.45 1joe s ASP 116 Ca -0.16 0.39 0.22 0.00 -0.00 0.00 0.00 52.55 53.00 1joe s ASP 116 Cb 0.03 -1.92 1.11 0.00 -1.38 0.00 0.00 42.92 40.76 1joe s ASP 116 CO 0.22 0.40 1.72 1.67 -0.00 0.00 0.00 175.17 179.18 1joe n GLN 117 N 1.97 0.29 0.00 2.11 7.27 -1.26 -2.32 117.38 125.44 1joe n GLN 117 Ca -0.19 0.08 0.13 0.00 0.07 0.00 0.00 57.00 57.09 1joe n GLN 117 Cb 0.55 -1.50 0.41 0.00 2.41 0.00 0.00 30.24 32.11 1joe n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1joe n ALA 118 N -1.30 2.70 -0.29 1.69 0.00 -1.26 -3.73 120.51 118.33 1joe n ALA 118 Ca 0.10 -0.48 0.11 0.00 0.00 0.00 0.00 53.44 53.17 1joe n ALA 118 Cb 0.18 -1.09 0.32 0.00 0.00 0.00 0.00 19.45 18.86 1joe n ALA 118 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1joe n SER 119 N 0.17 3.93 -4.56 0.00 7.64 -0.98 -4.78 113.62 115.05 1joe n SER 119 Ca 0.16 -2.09 -0.42 0.00 1.01 0.00 0.00 58.87 57.53 1joe n SER 119 Cb 0.39 -0.49 -0.07 0.00 -1.01 0.00 0.00 64.21 63.04 1joe n SER 119 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1joe s ILE 120 N -1.23 4.87 0.00 0.44 1.01 -1.24 -5.00 121.20 120.05 1joe s ILE 120 Ca 0.47 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.57 1joe s ILE 120 Cb 0.26 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1joe s ILE 120 CO 0.30 -0.39 0.42 -2.65 0.00 0.00 0.00 174.94 172.62 1joe n PRO 121 N 6.10 0.00 0.00 2.79 -0.02 -1.26 -3.28 135.00 139.33 1joe n PRO 121 Ca -0.01 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1joe n PRO 121 Cb 0.48 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 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 -0.79 0.00 -1.84 -0.52 0.00 -1.26 -4.54 120.64 111.69 1joe n GLU 122 Ca 0.00 0.23 -0.23 0.00 0.00 0.00 0.00 57.16 57.16 1joe n GLU 122 Cb 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 31.44 29.63 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 -1.20 2.37 -3.61 -1.84 4.77 -1.21 -3.26 117.00 113.02 1joe n LEU 123 Ca 0.00 -2.88 -0.02 0.00 -0.03 0.00 0.00 56.01 53.08 1joe n LEU 123 Cb 0.22 -1.72 -0.01 0.00 -2.33 0.00 0.00 43.42 39.58 1joe n LEU 123 CO 0.00 -2.56 1.08 0.54 -1.33 0.00 0.00 177.39 175.12 1joe s ASN 124 N 7.30 -0.08 0.20 -1.43 2.20 -1.26 -4.97 114.94 116.89 1joe s ASN 124 Ca 0.74 -0.03 0.11 0.00 -0.94 0.00 0.00 52.86 52.73 1joe s ASN 124 Cb -0.02 0.11 0.59 0.00 -2.00 0.00 0.00 41.25 39.92 1joe s ASN 124 CO 0.16 -0.18 1.26 2.30 -2.94 0.00 0.00 177.10 177.70 1joe n ILE 125 N -0.20 1.12 -0.01 0.54 -5.35 -1.26 0.11 119.36 114.32 1joe n ILE 125 Ca -0.01 0.65 0.05 0.00 -0.27 0.00 0.00 62.75 63.16 1joe n ILE 125 Cb 0.59 -1.65 -0.13 0.00 -1.74 0.00 0.00 39.64 36.71 1joe n ILE 125 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1joe n TYR 126 N -1.87 0.27 -0.08 4.28 4.01 -1.26 -4.54 117.16 117.98 1joe n TYR 126 Ca -0.01 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1joe n TYR 126 Cb 0.15 -0.76 0.00 0.00 -0.31 0.00 0.00 39.34 38.42 1joe n TYR 126 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1joe n GLN 127 N -2.52 0.48 -3.69 -0.72 6.02 0.11 -5.01 117.38 112.05 1joe n GLN 127 Ca -0.11 -0.83 -0.10 0.00 -0.01 0.00 0.00 57.00 55.95 1joe n GLN 127 Cb 0.74 -0.96 -0.10 0.00 1.02 0.00 0.00 30.24 30.94 1joe n GLN 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1joe n GLY 129 N 4.16 -0.91 2.63 0.00 0.00 -1.26 -3.60 105.19 106.21 1joe n GLY 129 Ca -0.22 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 1joe n GLY 129 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1joe n SER 130 N -1.26 -1.86 0.00 1.61 7.64 -1.26 -5.00 113.62 113.48 1joe n SER 130 Ca 0.10 -3.50 0.05 0.00 1.01 0.00 0.00 58.87 56.53 1joe n SER 130 Cb 0.15 1.43 0.27 0.00 -1.01 0.00 0.00 64.21 65.06 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 0.60 0.00 -0.09 1.43 4.11 -1.24 -1.98 117.16 120.00 1joe n TYR 131 Ca 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.92 1joe n TYR 131 Cb 0.68 -0.16 -0.15 0.00 -0.00 0.00 0.00 39.34 39.71 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 -1.16 1.22 -1.55 -3.48 -2.24 -1.26 -4.71 114.28 101.10 1joe n THR 132 Ca 0.06 -0.79 -0.42 0.00 -2.27 0.00 0.00 64.05 60.62 1joe n THR 132 Cb 0.06 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 67.83 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 -2.68 2.39 -4.11 -0.78 4.07 -0.84 -4.87 120.64 113.83 1joe n GLU 133 Ca -0.29 -2.36 -0.10 0.00 -0.06 0.00 0.00 57.16 54.35 1joe n GLU 133 Cb 1.08 -3.17 -0.09 0.00 -0.06 0.00 0.00 31.44 29.20 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 3.91 0.75 -0.29 4.31 3.76 -1.26 -4.56 115.29 121.91 1joe s HIS 134 Ca 0.51 -1.13 0.01 0.00 -0.15 0.00 0.00 55.06 54.29 1joe s HIS 134 Cb 0.14 -0.39 0.19 0.00 1.11 0.00 0.00 32.58 33.63 1joe s HIS 134 CO -0.01 -0.56 0.73 0.45 -0.85 0.00 0.00 174.74 174.50 1joe s SER 135 N -3.03 -1.26 0.32 1.40 0.15 -1.21 -4.87 113.70 105.19 1joe s SER 135 Ca 0.22 0.18 0.14 0.00 0.70 0.00 0.00 55.95 57.19 1joe s SER 135 Cb 0.07 1.82 0.50 0.00 -1.71 0.00 0.00 66.02 66.69 1joe s SER 135 CO 0.01 -0.23 1.67 0.25 1.20 0.00 0.00 173.24 176.14 1joe h LEU 136 N 7.79 0.00 -0.09 3.45 6.46 -1.95 -1.96 115.31 129.02 1joe h LEU 136 Ca -0.04 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1joe h LEU 136 Cb 1.18 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 1joe h LEU 136 CO 0.08 0.52 0.00 -1.84 -0.62 0.00 0.00 178.44 176.58 1joe n GLU 137 N -3.73 0.10 -0.07 1.25 0.00 -1.26 -1.02 120.64 115.90 1joe n GLU 137 Ca -0.01 0.16 -0.12 0.00 0.00 0.00 0.00 57.16 57.20 1joe n GLU 137 Cb 0.56 -1.63 -0.09 0.00 0.00 0.00 0.00 31.44 30.28 1joe n GLU 137 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1joe h ASP 138 N 0.00 0.00 -0.27 -1.84 3.58 -1.74 -0.95 116.42 115.21 1joe h ASP 138 Ca 0.00 -0.64 -0.06 0.00 0.42 0.00 0.00 57.03 56.75 1joe h ASP 138 Cb 0.50 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 1joe h ASP 138 CO 0.00 0.96 -0.01 0.00 -2.88 0.00 0.00 179.24 177.31 1joe h ALA 139 N -0.36 1.29 0.19 -0.78 0.00 -1.44 -0.96 119.26 117.19 1joe h ALA 139 Ca -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1joe h ALA 139 Cb 0.80 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1joe h ALA 139 CO -0.03 0.48 -0.09 0.45 0.00 0.00 0.00 179.25 180.06 1joe h HIS 140 N 0.56 -0.23 -0.89 0.00 3.86 -1.21 -0.56 115.15 116.68 1joe h HIS 140 Ca 0.12 -0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.49 1joe h HIS 140 Cb 0.37 0.08 -0.16 0.00 1.06 0.00 0.00 27.41 28.76 1joe h HIS 140 CO 0.01 -0.12 -0.28 1.49 0.86 0.00 0.00 177.93 179.89 1joe h GLU 141 N -0.27 -0.02 0.00 2.45 4.81 -0.49 -1.38 114.58 119.69 1joe h GLU 141 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1joe h GLU 141 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1joe h GLU 141 CO 0.04 -0.01 -0.28 -0.89 -0.73 0.00 0.00 179.01 177.14 1joe n ILE 142 N -5.53 0.33 -0.03 2.32 2.08 -0.43 -3.04 119.36 115.06 1joe n ILE 142 Ca 0.12 -0.19 -0.12 0.00 0.56 0.00 0.00 62.75 63.11 1joe n ILE 142 Cb 0.43 -0.30 -0.11 0.00 -0.75 0.00 0.00 39.64 38.91 1joe n ILE 142 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1joe h ALA 143 N 2.66 -0.04 -0.54 -1.39 0.00 0.06 -1.83 119.26 118.18 1joe h ALA 143 Ca 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1joe h ALA 143 Cb 0.67 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1joe h ALA 143 CO 0.00 -0.13 0.16 0.87 0.00 0.00 0.00 179.25 180.15 1joe h LYS 144 N -0.83 0.81 -0.17 0.00 1.57 -1.63 0.35 116.57 116.67 1joe h LYS 144 Ca -0.00 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 1joe h LYS 144 Cb 0.72 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1joe h LYS 144 CO 0.01 0.71 -0.43 -0.91 -0.57 0.00 0.00 179.45 178.26 1joe h ASN 145 N 0.79 0.44 0.67 0.86 -0.26 -1.63 0.92 115.58 117.37 1joe h ASN 145 Ca 0.18 -0.20 -0.10 0.00 -0.56 0.00 0.00 56.30 55.62 1joe h ASN 145 Cb 0.25 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 1joe h ASN 145 CO -0.01 0.81 -0.47 0.58 -1.06 0.00 0.00 177.43 177.29 1joe h VAL 146 N 0.34 1.16 0.03 2.81 2.07 -0.74 -2.62 116.25 119.31 1joe h VAL 146 Ca 0.03 -1.71 -0.24 0.00 0.82 0.00 0.00 66.70 65.60 1joe h VAL 146 Cb 0.89 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 1joe h VAL 146 CO 0.07 0.46 -1.14 0.40 0.02 0.00 0.00 177.57 177.39 1joe h ILE 147 N 0.00 1.57 0.00 4.57 2.04 0.53 -3.01 117.51 123.21 1joe h ILE 147 Ca -0.00 -3.26 0.00 0.00 1.00 0.00 0.00 64.86 62.59 1joe h ILE 147 Cb 0.93 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 1joe h ILE 147 CO 0.06 0.91 0.00 0.00 0.00 0.00 0.00 178.15 179.12 1joe h ALA 148 N 0.89 1.00 0.00 1.87 0.00 0.98 -3.31 119.26 120.69 1joe h ALA 148 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.55 1joe h ALA 148 Cb 1.84 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.58 1joe h ALA 148 CO 0.14 0.00 -2.11 0.54 0.00 0.00 0.00 179.25 177.82 1joe n ARG 149 N -3.04 0.52 0.00 0.00 3.00 -1.00 -5.05 116.66 111.09 1joe n ARG 149 Ca 0.02 0.11 0.00 0.00 -0.01 0.00 0.00 57.85 57.97 1joe n ARG 149 Cb 0.37 -1.39 0.00 0.00 0.00 0.00 0.00 32.46 31.44 1joe n ARG 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1joe n GLY 150 N 2.55 1.67 3.57 -0.13 0.00 -1.14 -4.93 105.19 106.78 1joe n GLY 150 Ca -0.34 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.58 4.54 0.00 -0.61 1.01 -1.21 -3.85 121.20 120.50 1joe s ILE 151 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.45 1joe s ILE 151 Cb 0.00 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 38.09 1joe s ILE 151 CO 0.00 -0.73 0.00 0.61 0.00 0.00 0.00 174.94 174.82 1joe n GLY 152 N 4.81 0.44 3.01 6.18 0.00 0.15 -4.77 105.19 115.00 1joe n GLY 152 Ca 0.06 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 1joe n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1joe s VAL 153 N 0.67 -0.03 -0.14 1.61 1.01 -1.26 -0.55 120.40 121.71 1joe s VAL 153 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1joe s VAL 153 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 1joe s VAL 153 CO 0.00 0.04 -0.11 0.20 0.00 0.00 0.00 175.10 175.23 1joe s ASN 154 N 0.82 4.14 -0.12 3.32 0.01 -0.17 -4.88 114.94 118.06 1joe s ASN 154 Ca -0.06 -0.31 -0.06 0.00 -0.71 0.00 0.00 52.86 51.72 1joe s ASN 154 Cb -0.08 -1.65 -0.04 0.00 0.41 0.00 0.00 41.25 39.90 1joe s ASN 154 CO -0.05 0.14 0.11 -1.59 -1.51 0.00 0.00 177.10 174.21 1joe s LYS 155 N 0.49 3.44 0.00 -0.60 0.00 -1.26 -4.39 119.74 117.42 1joe s LYS 155 Ca -0.08 -0.19 0.16 0.00 0.00 0.00 0.00 55.97 55.86 1joe s LYS 155 Cb -0.15 -3.14 0.93 0.00 0.00 0.00 0.00 37.83 35.46 1joe s LYS 155 CO 0.04 0.71 1.34 0.09 0.00 0.00 0.00 175.35 177.54