#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roy s SER 8 N 0.00 2.00 0.02 4.31 0.01 -1.26 -5.07 113.70 113.71 2roy s SER 8 Ca 0.00 -0.32 -0.13 0.00 1.31 0.00 0.00 55.95 56.81 2roy s SER 8 Cb 0.00 -0.87 -0.07 0.00 0.21 0.00 0.00 66.02 65.29 2roy s SER 8 CO 0.00 -0.02 0.34 1.17 0.41 0.00 0.00 173.24 175.14 2roy n LYS 9 N 4.25 0.00 -3.71 12.44 4.81 -1.26 -4.78 118.16 129.90 2roy n LYS 9 Ca -0.19 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 56.97 2roy n LYS 9 Cb 0.51 -0.50 -0.12 0.00 0.02 0.00 0.00 35.03 34.94 2roy n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2roy n PRO 11 N 2.60 0.09 -3.70 0.00 -0.04 -1.26 -4.62 135.00 128.07 2roy n PRO 11 Ca 0.20 0.23 -0.16 0.00 -0.04 0.00 0.00 63.50 63.73 2roy n PRO 11 Cb 0.39 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.19 2roy n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2roy s LEU 12 N -2.77 0.32 0.01 1.53 2.96 -1.25 -0.23 118.68 119.24 2roy s LEU 12 Ca 0.09 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 2roy s LEU 12 Cb 0.08 0.21 -0.01 0.00 0.50 0.00 0.00 46.19 46.97 2roy s LEU 12 CO 0.20 -0.20 -0.01 -0.04 -1.32 0.00 0.00 176.35 174.97 2roy s MET 13 N 1.80 0.13 0.05 1.98 -1.94 0.11 -4.57 119.30 116.87 2roy s MET 13 Ca -0.02 -0.18 0.09 0.00 -1.71 0.00 0.00 55.69 53.87 2roy s MET 13 Cb -0.12 -0.03 -0.03 0.00 2.01 0.00 0.00 34.83 36.66 2roy s MET 13 CO -0.05 0.00 -0.24 0.08 -0.01 0.00 0.00 175.02 174.80 2roy s VAL 14 N -0.39 2.34 -0.08 -6.03 1.01 -1.03 -0.46 120.40 115.75 2roy s VAL 14 Ca -0.04 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.58 2roy s VAL 14 Cb -0.03 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.43 2roy s VAL 14 CO -0.00 0.34 -0.07 -0.75 0.00 0.00 0.00 175.10 174.62 2roy s LYS 15 N -1.36 1.30 -0.07 2.72 2.47 0.11 -2.26 119.74 122.66 2roy s LYS 15 Ca 0.13 -0.21 0.03 0.00 -1.56 0.00 0.00 55.97 54.36 2roy s LYS 15 Cb -0.10 -1.32 -0.02 0.00 -1.46 0.00 0.00 37.83 34.92 2roy s LYS 15 CO 0.03 -0.18 -0.15 0.08 0.16 0.00 0.00 175.35 175.30 2roy s VAL 16 N 1.38 3.00 0.04 4.02 1.01 0.12 -2.09 120.40 127.88 2roy s VAL 16 Ca -0.02 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 2roy s VAL 16 Cb -0.14 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2roy s VAL 16 CO -0.04 0.58 -0.04 -0.76 0.00 0.00 0.00 175.10 174.84 2roy s LEU 17 N -0.47 2.35 -0.26 3.92 1.43 -0.82 -1.94 118.68 122.89 2roy s LEU 17 Ca 0.06 -0.72 -0.06 0.00 -1.03 0.00 0.00 54.13 52.38 2roy s LEU 17 Cb -0.12 0.11 -0.01 0.00 0.03 0.00 0.00 46.19 46.20 2roy s LEU 17 CO 0.02 -0.42 0.04 -0.62 0.23 0.00 0.00 176.35 175.60 2roy s ASP 18 N -2.10 4.90 0.00 2.29 -1.08 0.07 -0.96 116.67 119.78 2roy s ASP 18 Ca -0.05 -0.44 0.27 0.00 -0.52 0.00 0.00 52.55 51.81 2roy s ASP 18 Cb -0.02 -1.86 0.94 0.00 -1.46 0.00 0.00 42.92 40.52 2roy s ASP 18 CO -0.05 -0.09 1.68 0.00 0.52 0.00 0.00 175.17 177.24 2roy n ALA 19 N 4.87 2.98 -0.09 3.66 0.00 -0.06 -1.31 120.51 130.55 2roy n ALA 19 Ca -0.16 -0.32 -0.21 0.00 0.00 0.00 0.00 53.44 52.75 2roy n ALA 19 Cb 0.50 -1.24 -0.12 0.00 0.00 0.00 0.00 19.45 18.59 2roy n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2roy h VAL 20 N 0.64 0.99 0.00 0.00 2.07 -1.97 -3.40 116.25 114.58 2roy h VAL 20 Ca 0.00 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.31 2roy h VAL 20 Cb 0.45 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2roy h VAL 20 CO 0.00 0.38 -1.49 0.54 0.02 0.00 0.00 177.57 177.03 2roy n ARG 21 N -4.38 0.38 -2.96 1.57 1.74 -1.25 -5.00 116.66 106.76 2roy n ARG 21 Ca -0.30 -0.09 -0.11 0.00 -0.77 0.00 0.00 57.85 56.58 2roy n ARG 21 Cb 0.69 -1.53 0.03 0.00 -1.02 0.00 0.00 32.46 30.63 2roy n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2roy n GLY 22 N 1.36 0.23 3.37 -0.13 0.00 -0.42 -5.05 105.19 104.54 2roy n GLY 22 Ca -0.00 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 2roy n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2roy s SER 23 N -3.11 1.72 0.84 1.61 1.04 -1.19 -5.01 113.70 109.60 2roy s SER 23 Ca 0.26 -1.47 -0.11 0.00 0.48 0.00 0.00 55.95 55.11 2roy s SER 23 Cb -0.11 0.22 0.09 0.00 0.10 0.00 0.00 66.02 66.32 2roy s SER 23 CO 0.32 -0.77 1.09 -2.84 0.98 0.00 0.00 173.24 172.02 2roy s PRO 24 N -3.91 1.76 -0.30 4.02 0.02 -1.26 -0.75 135.00 134.58 2roy s PRO 24 Ca 0.35 0.75 -0.09 0.00 0.02 0.00 0.00 61.00 62.03 2roy s PRO 24 Cb 0.07 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.70 2roy s PRO 24 CO 0.15 -1.88 0.13 0.00 -0.33 0.00 0.00 177.00 175.08 2roy s ALA 25 N -3.05 3.24 0.09 -1.55 0.00 -0.82 -4.50 121.76 115.17 2roy s ALA 25 Ca 0.62 -1.33 0.05 0.00 0.00 0.00 0.00 51.96 51.29 2roy s ALA 25 Cb -0.16 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 2roy s ALA 25 CO 0.55 -0.81 -0.01 0.96 0.00 0.00 0.00 175.76 176.46 2roy s ILE 26 N 1.61 3.98 -0.52 0.00 -4.36 -1.26 -4.19 121.20 116.46 2roy s ILE 26 Ca 0.05 -0.98 -0.01 0.00 -0.26 0.00 0.00 60.65 59.44 2roy s ILE 26 Cb -0.17 -2.89 0.00 0.00 1.25 0.00 0.00 42.46 40.66 2roy s ILE 26 CO 0.06 0.14 0.16 0.59 0.24 0.00 0.00 174.94 176.12 2roy n ASN 27 N 0.63 -2.95 -4.77 4.36 3.02 0.53 -4.94 115.26 111.16 2roy n ASN 27 Ca -0.11 -0.08 -0.38 0.00 -0.03 0.00 0.00 54.58 53.98 2roy n ASN 27 Cb 0.52 -1.95 -0.06 0.00 -0.61 0.00 0.00 39.78 37.68 2roy n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2roy s VAL 28 N -2.66 5.01 -0.13 2.41 1.01 -1.26 -4.74 120.40 120.04 2roy s VAL 28 Ca 0.08 1.08 -0.18 0.00 0.00 0.00 0.00 61.98 62.96 2roy s VAL 28 Cb -0.04 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2roy s VAL 28 CO 0.10 0.42 0.46 0.00 0.00 0.00 0.00 175.10 176.08 2roy s ALA 29 N -0.13 3.49 -0.09 5.51 0.00 -1.26 -0.09 121.76 129.19 2roy s ALA 29 Ca 0.28 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.01 2roy s ALA 29 Cb -0.17 -2.63 0.02 0.00 0.00 0.00 0.00 23.12 20.34 2roy s ALA 29 CO 0.14 -0.03 -0.10 0.08 0.00 0.00 0.00 175.76 175.85 2roy s VAL 30 N 0.70 1.12 -0.13 0.00 1.01 -0.45 -0.84 120.40 121.80 2roy s VAL 30 Ca 0.25 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2roy s VAL 30 Cb -0.15 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.16 2roy s VAL 30 CO 0.09 0.37 -0.21 -1.00 0.00 0.00 0.00 175.10 174.35 2roy s HIS 31 N 1.21 2.67 0.21 5.22 3.76 -1.02 -1.14 115.29 126.18 2roy s HIS 31 Ca -0.04 -1.18 0.06 0.00 -0.15 0.00 0.00 55.06 53.75 2roy s HIS 31 Cb -0.14 -1.80 -0.04 0.00 1.11 0.00 0.00 32.58 31.71 2roy s HIS 31 CO -0.03 -0.52 0.15 0.08 -0.85 0.00 0.00 174.74 173.58 2roy s VAL 32 N 0.66 4.41 -0.04 -0.90 1.01 0.05 -1.40 120.40 124.19 2roy s VAL 32 Ca -0.10 -1.26 -0.08 0.00 0.00 0.00 0.00 61.98 60.54 2roy s VAL 32 Cb -0.16 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 32.92 2roy s VAL 32 CO 0.02 -0.22 0.18 -0.36 0.00 0.00 0.00 175.10 174.72 2roy s PHE 33 N -1.93 -0.12 -0.25 5.22 0.40 0.15 -1.77 117.98 119.68 2roy s PHE 33 Ca 0.32 0.27 -0.07 0.00 -0.60 0.00 0.00 56.93 56.85 2roy s PHE 33 Cb -0.09 0.03 -0.03 0.00 0.51 0.00 0.00 43.02 43.44 2roy s PHE 33 CO 0.24 -0.19 0.06 0.50 0.70 0.00 0.00 175.22 176.53 2roy s ARG 34 N -0.54 3.64 0.04 0.44 3.52 -0.76 -0.23 118.95 125.05 2roy s ARG 34 Ca -0.06 -0.48 -0.30 0.00 -0.13 0.00 0.00 55.73 54.75 2roy s ARG 34 Cb -0.04 -3.30 -0.07 0.00 -1.56 0.00 0.00 34.95 29.98 2roy s ARG 34 CO 0.01 -0.18 1.57 0.21 -0.81 0.00 0.00 175.30 176.10 2roy s LYS 35 N 1.59 4.22 0.44 5.12 2.20 0.17 -1.34 119.74 132.14 2roy s LYS 35 Ca 0.06 2.20 -0.02 0.00 -0.36 0.00 0.00 55.97 57.86 2roy s LYS 35 Cb -0.15 -3.62 -0.02 0.00 -1.51 0.00 0.00 37.83 32.53 2roy s LYS 35 CO 0.03 -0.69 0.68 0.00 -0.36 0.00 0.00 175.35 175.01 2roy s ALA 36 N 2.66 3.59 0.15 3.13 0.00 0.40 -4.72 121.76 126.97 2roy s ALA 36 Ca 0.71 -0.82 -0.17 0.00 0.00 0.00 0.00 51.96 51.68 2roy s ALA 36 Cb -0.37 -2.30 0.02 0.00 0.00 0.00 0.00 23.12 20.47 2roy s ALA 36 CO 0.30 -0.29 1.79 0.00 0.00 0.00 0.00 175.76 177.56 2roy h ALA 37 N 0.41 0.45 0.00 0.00 0.00 -1.95 0.77 119.26 118.94 2roy h ALA 37 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2roy h ALA 37 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2roy h ALA 37 CO 0.60 -0.14 0.29 -0.25 0.00 0.00 0.00 179.25 179.75 2roy n ASP 38 N -4.89 0.00 -1.61 0.00 9.92 -1.26 -4.64 116.55 114.07 2roy n ASP 38 Ca 0.00 0.07 -0.17 0.00 -0.53 0.00 0.00 54.79 54.17 2roy n ASP 38 Cb 0.06 -0.07 -0.04 0.00 -0.64 0.00 0.00 41.12 40.42 2roy n ASP 38 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2roy n ASP 39 N -0.96 -5.01 -5.00 -2.24 -0.08 0.27 -5.02 116.55 98.49 2roy n ASP 39 Ca 0.00 0.20 -0.21 0.00 -1.51 0.00 0.00 54.79 53.27 2roy n ASP 39 Cb 0.29 -4.06 0.04 0.00 2.34 0.00 0.00 41.12 39.74 2roy n ASP 39 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2roy s THR 40 N -2.74 2.09 0.19 5.18 -4.23 -1.23 -4.78 115.64 110.12 2roy s THR 40 Ca 0.00 -1.11 -0.08 0.00 -1.18 0.00 0.00 61.69 59.32 2roy s THR 40 Cb 0.00 -2.20 -0.07 0.00 1.34 0.00 0.00 72.50 71.58 2roy s THR 40 CO 0.00 0.00 0.49 0.26 -0.54 0.00 0.00 174.62 174.83 2roy s TRP 41 N -2.67 3.45 -0.04 3.99 0.52 -1.26 -0.46 118.94 122.47 2roy s TRP 41 Ca 0.55 0.77 0.03 0.00 0.02 0.00 0.00 56.10 57.47 2roy s TRP 41 Cb -0.05 -2.17 0.00 0.00 -1.15 0.00 0.00 33.47 30.10 2roy s TRP 41 CO 0.35 0.33 -0.13 -1.83 0.02 0.00 0.00 176.95 175.69 2roy s GLU 42 N -2.72 1.49 0.51 4.98 -1.05 -0.45 -4.83 118.70 116.63 2roy s GLU 42 Ca 0.45 -0.46 -0.20 0.00 -0.15 0.00 0.00 54.97 54.61 2roy s GLU 42 Cb -0.12 -1.30 -0.10 0.00 -0.44 0.00 0.00 34.13 32.17 2roy s GLU 42 CO 0.22 0.15 0.56 -2.30 0.95 0.00 0.00 175.26 174.84 2roy n PRO 43 N 3.35 0.59 0.00 -4.83 -0.02 -1.26 -1.82 135.00 131.00 2roy n PRO 43 Ca -0.19 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2roy n PRO 43 Cb 0.53 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 2roy n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2roy n PHE 44 N -1.36 0.00 -3.53 6.00 7.35 -0.73 -4.69 117.46 120.50 2roy n PHE 44 Ca 0.11 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.69 2roy n PHE 44 Cb 0.45 0.38 -0.03 0.00 0.35 0.00 0.00 39.48 40.62 2roy n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2roy s ALA 45 N -1.87 -1.25 0.20 3.13 0.00 -1.22 -4.99 121.76 115.76 2roy s ALA 45 Ca 0.00 0.21 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 2roy s ALA 45 Cb 0.00 0.79 0.03 0.00 0.00 0.00 0.00 23.12 23.94 2roy s ALA 45 CO 0.00 -0.70 0.55 -1.54 0.00 0.00 0.00 175.76 174.07 2roy s SER 46 N -2.78 -0.31 0.00 0.00 1.04 -1.26 -0.77 113.70 109.63 2roy s SER 46 Ca 0.02 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2roy s SER 46 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2roy s SER 46 CO -0.12 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.64 2roy n GLY 47 N -0.36 -0.88 3.21 7.32 0.00 -0.29 -4.99 105.19 109.20 2roy n GLY 47 Ca -0.11 -1.09 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 2roy n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2roy s LYS 48 N -2.00 1.94 0.45 1.61 1.02 -1.25 -1.35 119.74 120.16 2roy s LYS 48 Ca 0.00 -0.76 -0.25 0.00 0.02 0.00 0.00 55.97 54.98 2roy s LYS 48 Cb 0.00 -1.76 -0.08 0.00 -0.52 0.00 0.00 37.83 35.47 2roy s LYS 48 CO 0.00 0.38 1.36 0.95 -0.92 0.00 0.00 175.35 177.12 2roy s THR 49 N -0.28 2.32 0.00 2.17 -4.23 0.87 -4.80 115.64 111.70 2roy s THR 49 Ca 0.02 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 2roy s THR 49 Cb -0.10 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.57 2roy s THR 49 CO 0.01 0.03 0.00 -1.54 -0.54 0.00 0.00 174.62 172.58 2roy n SER 50 N -0.20 -0.06 0.15 3.99 3.41 -0.64 -0.34 113.62 119.93 2roy n SER 50 Ca 0.05 -0.05 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 2roy n SER 50 Cb 0.43 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.73 2roy n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2roy h GLU 51 N 0.00 0.00 -0.56 4.33 4.39 -1.93 -2.99 114.58 117.82 2roy h GLU 51 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2roy h GLU 51 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2roy h GLU 51 CO 0.00 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.72 2roy n SER 52 N -2.56 4.14 -2.36 1.42 3.41 -1.26 -4.77 113.62 111.64 2roy n SER 52 Ca 0.05 -2.33 -0.19 0.00 -0.26 0.00 0.00 58.87 56.13 2roy n SER 52 Cb 0.44 -0.49 -0.01 0.00 -0.26 0.00 0.00 64.21 63.89 2roy n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2roy n GLY 53 N 0.92 -0.36 3.48 5.00 0.00 -1.13 -4.83 105.19 108.27 2roy n GLY 53 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 2roy n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2roy s GLU 54 N -4.96 1.78 -0.03 1.61 2.02 -1.26 0.14 118.70 118.01 2roy s GLU 54 Ca 0.00 -1.17 0.04 0.00 0.02 0.00 0.00 54.97 53.86 2roy s GLU 54 Cb 0.00 -2.10 -0.00 0.00 0.10 0.00 0.00 34.13 32.12 2roy s GLU 54 CO 0.00 0.48 -0.14 -1.17 0.02 0.00 0.00 175.26 174.45 2roy s LEU 55 N -2.06 1.93 0.30 1.80 0.20 -0.96 -1.62 118.68 118.28 2roy s LEU 55 Ca 0.17 -0.27 0.02 0.00 0.69 0.00 0.00 54.13 54.74 2roy s LEU 55 Cb -0.11 -0.77 -0.02 0.00 -0.43 0.00 0.00 46.19 44.86 2roy s LEU 55 CO 0.09 0.14 0.30 -1.00 -0.29 0.00 0.00 176.35 175.60 2roy s HIS 56 N -0.08 1.39 -0.96 5.38 3.76 -1.26 -2.48 115.29 121.05 2roy s HIS 56 Ca 0.00 -1.47 -0.09 0.00 -0.15 0.00 0.00 55.06 53.35 2roy s HIS 56 Cb -0.08 -0.49 -0.01 0.00 1.11 0.00 0.00 32.58 33.11 2roy s HIS 56 CO 0.01 -0.89 0.75 0.41 -0.85 0.00 0.00 174.74 174.16 2roy n GLY 57 N -0.52 -1.15 0.10 -2.22 0.00 -1.26 -4.89 105.19 95.26 2roy n GLY 57 Ca 0.04 0.50 -0.13 0.00 0.00 0.00 0.00 46.02 46.44 2roy n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2roy n LEU 58 N -3.10 2.16 0.00 0.99 4.77 -1.26 -5.01 117.00 115.55 2roy n LEU 58 Ca -0.11 -0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 55.74 2roy n LEU 58 Cb 0.59 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2roy n LEU 58 CO 0.62 0.74 0.18 0.41 -1.33 0.00 0.00 177.39 178.00 2roy n THR 59 N -2.99 0.00 -4.19 -5.08 -1.04 -1.26 -4.69 114.28 95.02 2roy n THR 59 Ca -0.35 -0.55 -0.12 0.00 -2.04 0.00 0.00 64.05 61.00 2roy n THR 59 Cb 0.95 0.44 -0.10 0.00 -1.82 0.00 0.00 70.33 69.80 2roy n THR 59 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2roy s THR 60 N -2.61 0.76 -0.72 12.58 -4.23 -1.26 -4.68 115.64 115.47 2roy s THR 60 Ca 0.09 -1.96 0.14 0.00 -1.18 0.00 0.00 61.69 58.77 2roy s THR 60 Cb -0.02 -1.77 0.13 0.00 1.34 0.00 0.00 72.50 72.19 2roy s THR 60 CO 0.06 -0.80 1.42 -0.62 -0.54 0.00 0.00 174.62 174.15 2roy n GLU 61 N -0.09 0.07 0.01 3.99 1.02 -1.26 -2.32 120.64 122.06 2roy n GLU 61 Ca -0.11 0.44 -0.15 0.00 -0.02 0.00 0.00 57.16 57.32 2roy n GLU 61 Cb 0.61 -1.67 -0.14 0.00 -0.02 0.00 0.00 31.44 30.22 2roy n GLU 61 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2roy h GLU 62 N 0.00 0.15 0.00 3.49 5.08 -2.00 -3.35 114.58 117.96 2roy h GLU 62 Ca 0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2roy h GLU 62 Cb 0.15 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2roy h GLU 62 CO 0.00 0.91 -0.25 0.93 -1.00 0.00 0.00 179.01 179.60 2roy h GLU 63 N 0.04 0.00 -4.59 2.33 4.39 -1.94 -3.41 114.58 111.39 2roy h GLU 63 Ca -0.31 0.00 -0.73 0.00 0.34 0.00 0.00 59.36 58.66 2roy h GLU 63 Cb 2.01 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 30.46 2roy h GLU 63 CO 0.11 0.00 0.56 0.12 -1.16 0.00 0.00 179.01 178.63 2roy s PHE 64 N -3.19 3.35 0.36 4.33 5.36 -0.98 -4.99 117.98 122.23 2roy s PHE 64 Ca 0.07 -1.60 0.07 0.00 -0.96 0.00 0.00 56.93 54.51 2roy s PHE 64 Cb 0.09 -4.11 -0.01 0.00 -0.34 0.00 0.00 43.02 38.65 2roy s PHE 64 CO 0.67 -1.31 0.43 0.14 -1.46 0.00 0.00 175.22 173.69 2roy s VAL 65 N 1.78 3.51 0.95 3.12 -7.23 -1.26 -4.91 120.40 116.37 2roy s VAL 65 Ca 0.27 -1.15 -0.13 0.00 -1.81 0.00 0.00 61.98 59.16 2roy s VAL 65 Cb -0.07 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.67 2roy s VAL 65 CO -0.09 -0.11 0.21 -0.62 -0.31 0.00 0.00 175.10 174.18 2roy n GLU 66 N -1.60 -0.23 -2.35 4.82 1.02 -1.25 -4.85 120.64 116.20 2roy n GLU 66 Ca 0.02 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2roy n GLU 66 Cb 0.59 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 2roy n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2roy n GLY 67 N 1.83 -1.31 3.63 0.62 0.00 -1.07 -4.93 105.19 103.97 2roy n GLY 67 Ca 0.05 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 2roy n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2roy s ILE 68 N -1.59 5.26 0.15 -0.61 1.01 -1.26 -0.85 121.20 123.31 2roy s ILE 68 Ca 0.00 0.15 0.10 0.00 0.00 0.00 0.00 60.65 60.90 2roy s ILE 68 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 2roy s ILE 68 CO 0.00 0.34 -0.23 -0.31 0.00 0.00 0.00 174.94 174.74 2roy s TYR 69 N 1.17 2.10 -0.04 3.97 1.51 -0.47 0.41 117.35 126.00 2roy s TYR 69 Ca 0.07 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.72 2roy s TYR 69 Cb -0.14 -1.09 0.03 0.00 -0.11 0.00 0.00 41.96 40.65 2roy s TYR 69 CO 0.05 0.36 0.03 0.21 -1.11 0.00 0.00 175.55 175.09 2roy s LYS 70 N -2.38 0.17 -0.16 -0.62 2.20 0.68 -0.67 119.74 118.94 2roy s LYS 70 Ca 0.15 0.20 -0.05 0.00 -0.36 0.00 0.00 55.97 55.92 2roy s LYS 70 Cb -0.08 -0.54 -0.03 0.00 -1.51 0.00 0.00 37.83 35.67 2roy s LYS 70 CO 0.07 -0.24 -0.00 0.08 -0.36 0.00 0.00 175.35 174.90 2roy s VAL 71 N 1.59 4.18 -0.22 4.02 1.01 -0.69 0.30 120.40 130.59 2roy s VAL 71 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2roy s VAL 71 Cb -0.13 -2.85 0.03 0.00 0.00 0.00 0.00 36.38 33.43 2roy s VAL 71 CO -0.03 0.48 -0.12 -0.70 0.00 0.00 0.00 175.10 174.73 2roy s GLU 72 N 0.38 2.83 -0.24 2.72 2.12 -0.50 -1.32 118.70 124.69 2roy s GLU 72 Ca -0.02 -0.96 -0.13 0.00 0.36 0.00 0.00 54.97 54.23 2roy s GLU 72 Cb -0.14 -2.80 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 2roy s GLU 72 CO 0.02 -0.34 0.26 0.42 -0.54 0.00 0.00 175.26 175.08 2roy s ILE 73 N 1.28 5.28 -1.32 -3.70 1.01 0.20 -2.45 121.20 121.50 2roy s ILE 73 Ca 0.01 0.38 -0.17 0.00 0.00 0.00 0.00 60.65 60.87 2roy s ILE 73 Cb -0.16 -3.60 0.04 0.00 0.01 0.00 0.00 42.46 38.75 2roy s ILE 73 CO -0.08 0.28 1.94 -0.67 0.00 0.00 0.00 174.94 176.40 2roy n ASP 74 N 4.62 4.32 -0.12 3.58 2.03 -0.02 -2.28 116.55 128.67 2roy n ASP 74 Ca -0.12 -2.87 -0.11 0.00 0.52 0.00 0.00 54.79 52.22 2roy n ASP 74 Cb 0.52 -1.69 -0.02 0.00 -0.72 0.00 0.00 41.12 39.21 2roy n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2roy h THR 75 N 4.99 1.26 -0.45 5.18 1.35 -1.87 -3.26 112.91 120.11 2roy h THR 75 Ca 0.48 -0.96 0.06 0.00 -0.55 0.00 0.00 66.41 65.44 2roy h THR 75 Cb 0.78 1.19 -0.06 0.00 -1.73 0.00 0.00 68.15 68.34 2roy h THR 75 CO 1.62 0.32 0.13 0.50 -0.25 0.00 0.00 175.52 177.84 2roy h LYS 76 N 0.42 0.28 -0.22 4.72 3.64 -1.71 -1.61 116.57 122.09 2roy h LYS 76 Ca 0.10 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2roy h LYS 76 Cb 0.44 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2roy h LYS 76 CO 0.02 0.18 -0.13 0.77 -2.27 0.00 0.00 179.45 178.02 2roy h SER 77 N 0.28 0.34 -0.06 4.20 0.02 -1.88 -2.62 113.55 113.84 2roy h SER 77 Ca 0.22 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2roy h SER 77 Cb 0.24 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 2roy h SER 77 CO -0.25 0.50 -0.05 0.22 -1.14 0.00 0.00 176.83 176.12 2roy h TYR 78 N 0.33 -0.12 0.00 3.45 3.20 -1.34 -1.23 116.97 121.27 2roy h TYR 78 Ca 0.07 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.75 2roy h TYR 78 Cb 0.44 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 2roy h TYR 78 CO 0.01 -0.08 -0.86 -1.49 -1.64 0.00 0.00 178.16 174.10 2roy h TRP 79 N -0.06 0.23 0.68 -3.82 4.06 -1.42 -3.23 115.95 112.38 2roy h TRP 79 Ca 0.04 -0.13 -0.03 0.00 2.06 0.00 0.00 58.89 60.84 2roy h TRP 79 Cb 0.12 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.25 2roy h TRP 79 CO -0.15 0.94 -0.43 0.87 -3.56 0.00 0.00 178.44 176.10 2roy h LYS 80 N 0.08 -1.01 -0.39 0.49 1.57 -1.26 0.20 116.57 116.25 2roy h LYS 80 Ca -0.04 0.07 0.11 0.00 -1.87 0.00 0.00 60.65 58.93 2roy h LYS 80 Cb 1.49 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 34.01 2roy h LYS 80 CO 0.13 -0.67 0.73 0.00 -0.57 0.00 0.00 179.45 179.07 2roy h ALA 81 N -1.25 2.12 -0.01 3.86 0.00 -1.26 2.79 119.26 125.51 2roy h ALA 81 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2roy h ALA 81 Cb 0.84 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2roy h ALA 81 CO 0.08 -0.93 -0.69 1.28 0.00 0.00 0.00 179.25 178.99 2roy n LEU 82 N -3.15 1.22 -3.48 0.00 4.32 -0.45 -4.98 117.00 110.47 2roy n LEU 82 Ca 0.08 -0.47 -0.19 0.00 -0.02 0.00 0.00 56.01 55.41 2roy n LEU 82 Cb 0.87 -0.05 0.08 0.00 -1.62 0.00 0.00 43.42 42.70 2roy n LEU 82 CO 0.17 0.26 0.12 0.61 -1.22 0.00 0.00 177.39 177.34 2roy n GLY 83 N 1.46 -0.39 3.13 -0.72 0.00 0.93 -5.02 105.19 104.58 2roy n GLY 83 Ca 0.07 0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 2roy n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2roy s ILE 84 N -3.37 1.60 -0.23 -0.61 1.01 -0.48 -5.01 121.20 114.11 2roy s ILE 84 Ca 0.10 -0.76 -0.28 0.00 0.00 0.00 0.00 60.65 59.71 2roy s ILE 84 Cb -0.05 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 41.02 2roy s ILE 84 CO 0.74 0.46 0.99 -0.55 0.00 0.00 0.00 174.94 176.57 2roy s SER 85 N 0.45 7.03 0.41 3.58 0.15 -1.26 -3.79 113.70 120.27 2roy s SER 85 Ca -0.16 1.29 -0.07 0.00 0.70 0.00 0.00 55.95 57.70 2roy s SER 85 Cb -0.16 -2.51 -0.05 0.00 -1.71 0.00 0.00 66.02 61.58 2roy s SER 85 CO 0.06 -0.63 0.73 -2.16 1.20 0.00 0.00 173.24 172.44 2roy s PRO 86 N 3.12 3.67 -0.13 5.44 0.05 -1.26 -4.87 135.00 141.02 2roy s PRO 86 Ca 0.42 0.28 -0.09 0.00 0.05 0.00 0.00 61.00 61.65 2roy s PRO 86 Cb -0.15 -2.44 -0.07 0.00 0.05 0.00 0.00 34.50 31.90 2roy s PRO 86 CO 0.06 -0.04 0.07 0.35 0.05 0.00 0.00 177.00 177.49 2roy h PHE 87 N 0.97 0.00 -3.93 0.56 3.57 -1.76 -3.48 116.94 112.87 2roy h PHE 87 Ca -0.47 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.55 2roy h PHE 87 Cb 1.19 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 2roy h PHE 87 CO 0.59 0.30 0.24 -1.01 -2.23 0.00 0.00 178.31 176.20 2roy s HIS 88 N -1.95 3.42 0.03 0.41 0.09 -1.26 -4.98 115.29 111.03 2roy s HIS 88 Ca -0.11 1.31 -0.12 0.00 -0.00 0.00 0.00 55.06 56.15 2roy s HIS 88 Cb 0.01 -2.65 -0.33 0.00 -0.00 0.00 0.00 32.58 29.61 2roy s HIS 88 CO 0.23 -0.16 0.97 0.93 -0.00 0.00 0.00 174.74 176.71 2roy h GLU 89 N 1.45 0.44 -1.99 1.40 4.39 -1.97 -3.36 114.58 114.95 2roy h GLU 89 Ca -0.47 -0.76 0.23 0.00 0.34 0.00 0.00 59.36 58.70 2roy h GLU 89 Cb 1.18 0.28 -0.10 0.00 -0.10 0.00 0.00 28.75 30.02 2roy h GLU 89 CO 0.63 1.36 0.62 -3.38 -1.16 0.00 0.00 179.01 177.07 2roy s HIS 90 N -2.61 -0.10 -0.10 4.33 -3.43 -1.26 -3.43 115.29 108.68 2roy s HIS 90 Ca -0.09 -0.12 -0.02 0.00 -0.80 0.00 0.00 55.06 54.03 2roy s HIS 90 Cb 0.05 0.60 -0.03 0.00 -1.43 0.00 0.00 32.58 31.77 2roy s HIS 90 CO 0.91 -0.61 -0.01 0.00 -2.00 0.00 0.00 174.74 173.04 2roy s ALA 91 N -2.95 3.19 0.00 -1.38 0.00 -0.97 -4.92 121.76 114.74 2roy s ALA 91 Ca 0.13 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.31 2roy s ALA 91 Cb 0.01 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 21.64 2roy s ALA 91 CO -0.00 0.50 -0.13 -1.21 0.00 0.00 0.00 175.76 174.92 2roy s GLU 92 N -0.58 0.98 -0.07 0.00 2.02 -1.26 0.62 118.70 120.41 2roy s GLU 92 Ca 0.09 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.59 2roy s GLU 92 Cb -0.12 -0.95 0.02 0.00 0.10 0.00 0.00 34.13 33.18 2roy s GLU 92 CO 0.02 0.26 -0.07 0.08 0.02 0.00 0.00 175.26 175.57 2roy s VAL 93 N -0.41 0.82 -0.11 2.63 1.01 -0.43 -4.99 120.40 118.92 2roy s VAL 93 Ca 0.04 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.81 2roy s VAL 93 Cb -0.05 -0.83 -0.00 0.00 0.00 0.00 0.00 36.38 35.49 2roy s VAL 93 CO -0.00 0.31 -0.20 -0.69 0.00 0.00 0.00 175.10 174.51 2roy s VAL 94 N 1.21 2.37 0.14 2.92 1.01 -1.26 -1.71 120.40 125.09 2roy s VAL 94 Ca -0.05 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 2roy s VAL 94 Cb -0.14 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 2roy s VAL 94 CO -0.02 0.55 0.23 0.72 0.00 0.00 0.00 175.10 176.58 2roy s PHE 95 N 0.37 0.42 -0.23 5.22 -0.12 0.15 -5.00 117.98 118.79 2roy s PHE 95 Ca -0.16 -0.80 -0.07 0.00 -0.05 0.00 0.00 56.93 55.85 2roy s PHE 95 Cb -0.17 -0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.06 2roy s PHE 95 CO 0.07 -0.65 0.07 0.99 -0.05 0.00 0.00 175.22 175.66 2roy s THR 96 N -3.96 4.53 -0.49 -4.49 2.01 -1.26 -1.37 115.64 110.61 2roy s THR 96 Ca 0.15 -0.11 -0.20 0.00 0.31 0.00 0.00 61.69 61.85 2roy s THR 96 Cb 0.04 -3.09 0.05 0.00 0.01 0.00 0.00 72.50 69.51 2roy s THR 96 CO -0.02 0.37 0.66 0.00 -0.69 0.00 0.00 174.62 174.94 2roy s ALA 97 N 1.19 3.35 -0.56 7.40 0.00 -0.03 -4.91 121.76 128.21 2roy s ALA 97 Ca 0.05 -1.56 0.03 0.00 0.00 0.00 0.00 51.96 50.48 2roy s ALA 97 Cb -0.14 -3.38 0.14 0.00 0.00 0.00 0.00 23.12 19.74 2roy s ALA 97 CO 0.04 -2.00 0.31 -0.80 0.00 0.00 0.00 175.76 173.31 2roy s ASN 98 N 2.53 4.50 -0.57 0.00 0.01 -1.26 -2.58 114.94 117.57 2roy s ASN 98 Ca 0.18 -3.08 -0.18 0.00 -0.71 0.00 0.00 52.86 49.07 2roy s ASN 98 Cb -0.17 -1.67 0.10 0.00 0.41 0.00 0.00 41.25 39.92 2roy s ASN 98 CO 0.14 -0.23 0.63 -0.62 -1.51 0.00 0.00 177.10 175.51 2roy s ASP 99 N -0.28 6.19 0.00 -1.22 2.15 -1.26 -3.82 116.67 118.43 2roy s ASP 99 Ca 0.18 -1.46 0.00 0.00 0.43 0.00 0.00 52.55 51.70 2roy s ASP 99 Cb -0.23 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 2roy s ASP 99 CO -0.02 -1.01 0.32 -1.54 -0.17 0.00 0.00 175.17 172.75 2roy n SER 100 N 6.01 0.00 0.00 -0.34 3.41 -1.26 -4.90 113.62 116.54 2roy n SER 100 Ca -0.10 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 2roy n SER 100 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2roy n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2roy n GLY 101 N 0.00 -2.51 2.48 5.00 0.00 -1.25 -5.16 105.19 103.75 2roy n GLY 101 Ca 0.00 0.83 -0.42 0.00 0.00 0.00 0.00 46.02 46.42 2roy n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2roy n PRO 102 N 0.00 0.00 0.00 1.61 -0.02 -1.25 -4.99 135.00 130.35 2roy n PRO 102 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2roy n PRO 102 Cb 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 2roy n PRO 102 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2roy n ARG 103 N 1.40 0.00 -3.99 -0.52 5.12 -0.68 -4.59 116.66 113.40 2roy n ARG 103 Ca 0.16 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.77 2roy n ARG 103 Cb 0.04 -0.05 -0.05 0.00 -1.16 0.00 0.00 32.46 31.23 2roy n ARG 103 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2roy s ARG 104 N -0.10 3.15 -0.15 5.56 1.81 0.54 -4.71 118.95 125.05 2roy s ARG 104 Ca 0.00 -0.56 0.01 0.00 -1.72 0.00 0.00 55.73 53.46 2roy s ARG 104 Cb 0.00 -2.88 0.02 0.00 -0.45 0.00 0.00 34.95 31.64 2roy s ARG 104 CO 0.00 0.59 -0.17 0.71 -0.68 0.00 0.00 175.30 175.76 2roy s TYR 105 N -1.42 2.33 -0.13 -0.53 1.51 0.68 -2.25 117.35 117.55 2roy s TYR 105 Ca 0.31 -1.27 0.02 0.00 -1.01 0.00 0.00 57.07 55.12 2roy s TYR 105 Cb -0.13 -1.66 0.01 0.00 -0.11 0.00 0.00 41.96 40.07 2roy s TYR 105 CO 0.24 -0.65 -0.19 0.99 -1.11 0.00 0.00 175.55 174.83 2roy s THR 106 N 1.24 1.79 -0.36 -0.71 2.01 -0.27 0.09 115.64 119.42 2roy s THR 106 Ca 0.01 -0.82 -0.09 0.00 0.31 0.00 0.00 61.69 61.09 2roy s THR 106 Cb -0.14 -1.61 0.03 0.00 0.01 0.00 0.00 72.50 70.80 2roy s THR 106 CO -0.08 0.50 0.17 -0.63 -0.69 0.00 0.00 174.62 173.89 2roy s ILE 107 N 0.90 4.34 0.10 1.82 -1.09 0.39 0.68 121.20 128.34 2roy s ILE 107 Ca -0.07 -0.90 0.08 0.00 -2.23 0.00 0.00 60.65 57.53 2roy s ILE 107 Cb -0.15 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.28 2roy s ILE 107 CO -0.02 -0.19 -0.14 0.00 -1.23 0.00 0.00 174.94 173.37 2roy s ALA 108 N 1.51 2.83 -0.04 9.38 0.00 -0.71 0.07 121.76 134.80 2roy s ALA 108 Ca 0.01 -1.28 -0.02 0.00 0.00 0.00 0.00 51.96 50.67 2roy s ALA 108 Cb -0.19 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.17 2roy s ALA 108 CO 0.05 0.62 0.08 0.00 0.00 0.00 0.00 175.76 176.51 2roy s ALA 109 N -1.17 -0.11 -0.35 0.00 0.00 -0.89 -1.54 121.76 117.71 2roy s ALA 109 Ca 0.20 0.43 -0.09 0.00 0.00 0.00 0.00 51.96 52.49 2roy s ALA 109 Cb -0.11 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.74 2roy s ALA 109 CO 0.12 -0.11 0.16 -1.17 0.00 0.00 0.00 175.76 174.75 2roy s LEU 110 N 0.89 4.44 0.07 0.00 2.96 -0.84 -1.94 118.68 124.25 2roy s LEU 110 Ca -0.07 -0.96 0.02 0.00 -0.22 0.00 0.00 54.13 52.90 2roy s LEU 110 Cb -0.10 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 2roy s LEU 110 CO -0.03 -0.33 0.10 -0.76 -1.32 0.00 0.00 176.35 174.01 2roy s LEU 111 N 1.51 3.89 0.14 -0.68 1.43 -0.14 -2.06 118.68 122.78 2roy s LEU 111 Ca 0.01 0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2roy s LEU 111 Cb -0.19 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 2roy s LEU 111 CO 0.05 0.18 0.03 -0.44 0.23 0.00 0.00 176.35 176.41 2roy s SER 112 N -2.32 0.62 0.33 2.29 0.01 0.15 -0.88 113.70 113.90 2roy s SER 112 Ca 0.29 -1.19 0.08 0.00 1.31 0.00 0.00 55.95 56.45 2roy s SER 112 Cb -0.12 0.23 0.80 0.00 0.21 0.00 0.00 66.02 67.13 2roy s SER 112 CO 0.22 -0.67 1.82 -0.65 0.41 0.00 0.00 173.24 174.37 2roy h PRO 113 N 2.82 0.70 -0.10 12.44 0.11 -1.99 -2.80 132.00 143.17 2roy h PRO 113 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2roy h PRO 113 Cb 1.20 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2roy h PRO 113 CO 0.61 0.46 0.00 0.66 -0.21 0.00 0.00 178.00 179.52 2roy n TYR 114 N -4.64 0.13 -3.55 0.65 4.02 -1.26 -1.94 117.16 110.57 2roy n TYR 114 Ca 0.21 -0.38 -0.11 0.00 -0.01 0.00 0.00 57.90 57.61 2roy n TYR 114 Cb 0.54 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.81 2roy n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2roy s SER 115 N -0.85 -0.44 -0.11 7.72 0.15 -1.06 -4.98 113.70 114.13 2roy s SER 115 Ca 0.08 -0.19 -0.18 0.00 0.70 0.00 0.00 55.95 56.36 2roy s SER 115 Cb 0.04 0.60 0.04 0.00 -1.71 0.00 0.00 66.02 65.00 2roy s SER 115 CO 0.06 -1.02 0.45 -0.72 1.20 0.00 0.00 173.24 173.20 2roy s TYR 116 N -3.80 -0.44 0.28 3.44 -0.85 -1.26 0.32 117.35 115.04 2roy s TYR 116 Ca 0.04 0.96 0.10 0.00 -0.52 0.00 0.00 57.07 57.64 2roy s TYR 116 Cb -0.01 0.18 -0.05 0.00 0.38 0.00 0.00 41.96 42.46 2roy s TYR 116 CO -0.09 -0.33 -0.03 -1.54 -1.52 0.00 0.00 175.55 172.04 2roy s SER 117 N -0.37 4.32 -0.07 -0.18 1.04 -0.87 -4.97 113.70 112.59 2roy s SER 117 Ca -0.05 -0.78 -0.13 0.00 0.48 0.00 0.00 55.95 55.47 2roy s SER 117 Cb -0.03 -0.69 0.03 0.00 0.10 0.00 0.00 66.02 65.43 2roy s SER 117 CO 0.03 -0.05 0.31 0.28 0.98 0.00 0.00 173.24 174.80 2roy s THR 118 N -2.40 0.03 0.07 2.02 -1.32 -1.26 -1.99 115.64 110.79 2roy s THR 118 Ca 0.32 -0.22 -0.01 0.00 -1.21 0.00 0.00 61.69 60.57 2roy s THR 118 Cb -0.05 -0.52 -0.04 0.00 -1.51 0.00 0.00 72.50 70.38 2roy s THR 118 CO 0.19 -0.12 -0.00 0.28 -2.21 0.00 0.00 174.62 172.76 2roy s THR 119 N -0.49 0.19 -0.02 5.08 -1.32 -0.59 -4.99 115.64 113.51 2roy s THR 119 Ca -0.06 -1.84 0.07 0.00 -1.21 0.00 0.00 61.69 58.66 2roy s THR 119 Cb -0.04 -1.67 -0.02 0.00 -1.51 0.00 0.00 72.50 69.26 2roy s THR 119 CO 0.02 -0.84 -0.24 0.00 -2.21 0.00 0.00 174.62 171.35 2roy s ALA 120 N -3.96 2.26 -0.30 11.08 0.00 -1.26 -1.73 121.76 127.85 2roy s ALA 120 Ca 0.12 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2roy s ALA 120 Cb 0.08 -0.61 0.08 0.00 0.00 0.00 0.00 23.12 22.67 2roy s ALA 120 CO -0.07 0.54 0.01 0.08 0.00 0.00 0.00 175.76 176.32 2roy s VAL 121 N -0.65 1.85 -0.29 0.00 1.01 0.21 -4.97 120.40 117.56 2roy s VAL 121 Ca 0.10 -1.82 -0.07 0.00 0.00 0.00 0.00 61.98 60.20 2roy s VAL 121 Cb -0.10 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.04 2roy s VAL 121 CO -0.00 -0.41 0.08 -0.69 0.00 0.00 0.00 175.10 174.08 2roy s VAL 122 N 1.17 4.03 0.32 2.92 1.01 -1.26 -1.12 120.40 127.47 2roy s VAL 122 Ca 0.04 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.44 2roy s VAL 122 Cb -0.19 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2roy s VAL 122 CO -0.10 0.11 0.17 0.42 0.00 0.00 0.00 175.10 175.70 2roy s THR 123 N 1.52 0.31 -0.26 3.92 -4.23 -0.95 -4.98 115.64 110.97 2roy s THR 123 Ca 0.03 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.46 2roy s THR 123 Cb -0.17 -2.49 -0.13 0.00 1.34 0.00 0.00 72.50 71.05 2roy s THR 123 CO 0.03 0.00 -0.30 -3.20 -0.54 0.00 0.00 174.62 170.60 2roy n ASN 124 N -1.05 1.93 0.00 3.99 5.15 -1.26 -0.34 115.26 123.68 2roy n ASN 124 Ca 0.01 0.18 0.06 0.00 -0.60 0.00 0.00 54.58 54.24 2roy n ASN 124 Cb 0.65 -0.66 0.38 0.00 -0.53 0.00 0.00 39.78 39.62 2roy n ASN 124 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01