#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoh s VAL 6 N 0.00 4.68 -0.17 0.00 1.01 -0.03 -4.66 120.40 121.22 1aoh s VAL 6 Ca 0.00 1.70 -0.05 0.00 0.00 0.00 0.00 61.98 63.62 1aoh s VAL 6 Cb 0.00 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1aoh s VAL 6 CO 0.00 0.36 0.01 -0.13 0.00 0.00 0.00 175.10 175.34 1aoh s ARG 7 N -0.09 3.80 -0.16 2.72 0.52 0.96 -1.28 118.95 125.41 1aoh s ARG 7 Ca 0.40 -0.44 -0.01 0.00 -0.52 0.00 0.00 55.73 55.15 1aoh s ARG 7 Cb -0.21 -3.07 -0.01 0.00 0.52 0.00 0.00 34.95 32.19 1aoh s ARG 7 CO 0.24 0.22 -0.12 0.42 0.02 0.00 0.00 175.30 176.09 1aoh s ILE 8 N 0.45 3.00 -0.03 1.52 1.09 0.06 -1.16 121.20 126.14 1aoh s ILE 8 Ca -0.00 -0.66 0.01 0.00 -1.10 0.00 0.00 60.65 58.89 1aoh s ILE 8 Cb -0.13 -2.29 0.02 0.00 -1.06 0.00 0.00 42.46 39.00 1aoh s ILE 8 CO 0.02 0.50 -0.01 -0.54 -0.10 0.00 0.00 174.94 174.81 1aoh s LYS 9 N 0.74 0.40 -0.10 2.79 1.02 0.15 -0.27 119.74 124.47 1aoh s LYS 9 Ca -0.05 0.03 -0.18 0.00 0.02 0.00 0.00 55.97 55.79 1aoh s LYS 9 Cb -0.15 -0.53 -0.04 0.00 -0.52 0.00 0.00 37.83 36.58 1aoh s LYS 9 CO 0.01 -0.11 0.49 0.08 -0.92 0.00 0.00 175.35 174.90 1aoh s VAL 10 N 0.93 5.15 0.89 3.17 1.01 -1.17 -0.70 120.40 129.68 1aoh s VAL 10 Ca -0.10 0.98 -0.11 0.00 0.00 0.00 0.00 61.98 62.75 1aoh s VAL 10 Cb -0.13 -3.82 0.13 0.00 0.00 0.00 0.00 36.38 32.55 1aoh s VAL 10 CO -0.01 0.35 1.10 -1.81 0.00 0.00 0.00 175.10 174.73 1aoh s ASP 11 N 0.43 3.41 -0.19 3.32 1.11 -0.12 -3.57 116.67 121.07 1aoh s ASP 11 Ca 0.27 1.74 -0.02 0.00 0.18 0.00 0.00 52.55 54.72 1aoh s ASP 11 Cb -0.16 -2.37 -0.00 0.00 1.07 0.00 0.00 42.92 41.46 1aoh s ASP 11 CO 0.11 -2.71 -0.10 -0.89 1.18 0.00 0.00 175.17 172.76 1aoh s THR 12 N -2.82 3.00 0.16 -1.27 2.01 -1.26 -1.03 115.64 114.43 1aoh s THR 12 Ca 0.64 -0.64 0.10 0.00 0.31 0.00 0.00 61.69 62.10 1aoh s THR 12 Cb -0.19 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1aoh s THR 12 CO 0.58 0.48 -0.22 0.68 -0.69 0.00 0.00 174.62 175.45 1aoh s VAL 13 N 1.13 2.01 0.01 3.82 -7.23 -0.30 -4.93 120.40 114.92 1aoh s VAL 13 Ca 0.01 -1.85 -0.10 0.00 -1.81 0.00 0.00 61.98 58.22 1aoh s VAL 13 Cb -0.14 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 1aoh s VAL 13 CO -0.03 -0.15 0.34 0.20 -0.31 0.00 0.00 175.10 175.15 1aoh s ASN 14 N -2.43 6.63 0.24 4.85 0.01 -1.26 0.39 114.94 123.37 1aoh s ASN 14 Ca 0.15 0.75 -0.18 0.00 -0.71 0.00 0.00 52.86 52.87 1aoh s ASN 14 Cb -0.08 -2.17 0.02 0.00 0.41 0.00 0.00 41.25 39.44 1aoh s ASN 14 CO 0.07 0.27 0.60 0.00 -1.51 0.00 0.00 177.10 176.53 1aoh s ALA 15 N -1.23 -0.96 0.16 0.60 0.00 -0.91 -4.90 121.76 114.52 1aoh s ALA 15 Ca 0.26 -0.33 0.10 0.00 0.00 0.00 0.00 51.96 51.99 1aoh s ALA 15 Cb -0.14 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 1aoh s ALA 15 CO 0.14 -0.90 -0.20 0.15 0.00 0.00 0.00 175.76 174.95 1aoh s LYS 16 N -3.91 1.69 0.28 0.00 -0.14 -1.26 0.37 119.74 116.77 1aoh s LYS 16 Ca 0.12 -1.34 -0.30 0.00 -1.36 0.00 0.00 55.97 53.09 1aoh s LYS 16 Cb -0.03 -2.00 -0.13 0.00 -1.68 0.00 0.00 37.83 33.99 1aoh s LYS 16 CO 0.03 0.44 1.27 -2.30 -0.76 0.00 0.00 175.35 174.03 1aoh n PRO 17 N 0.49 1.87 0.00 -1.68 -0.02 -1.26 -1.22 135.00 133.18 1aoh n PRO 17 Ca -0.14 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1aoh n PRO 17 Cb 0.54 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1aoh n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aoh n GLY 18 N 1.49 3.27 3.78 -1.23 0.00 0.98 -4.85 105.19 108.63 1aoh n GLY 18 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1aoh n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aoh s ASP 19 N -0.22 6.01 -0.33 1.61 1.01 -0.36 -4.71 116.67 119.69 1aoh s ASP 19 Ca 0.00 2.14 -0.09 0.00 0.71 0.00 0.00 52.55 55.30 1aoh s ASP 19 Cb 0.00 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.36 1aoh s ASP 19 CO 0.00 -1.02 0.15 -0.89 0.21 0.00 0.00 175.17 173.62 1aoh s THR 20 N -1.77 4.42 0.16 -1.27 2.01 -1.26 -0.61 115.64 117.32 1aoh s THR 20 Ca 0.69 -0.64 0.07 0.00 0.31 0.00 0.00 61.69 62.12 1aoh s THR 20 Cb -0.23 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1aoh s THR 20 CO 0.27 -0.03 0.01 0.54 -0.69 0.00 0.00 174.62 174.72 1aoh s VAL 21 N 1.56 3.82 -0.18 3.82 0.11 0.10 -4.94 120.40 124.70 1aoh s VAL 21 Ca 0.03 -1.31 -0.03 0.00 -2.93 0.00 0.00 61.98 57.74 1aoh s VAL 21 Cb -0.18 -2.90 -0.02 0.00 -1.53 0.00 0.00 36.38 31.75 1aoh s VAL 21 CO 0.05 -0.06 -0.05 -0.13 -3.33 0.00 0.00 175.10 171.58 1aoh s ARG 22 N -2.81 3.50 -0.34 1.54 0.52 -1.26 -0.86 118.95 119.24 1aoh s ARG 22 Ca 0.27 -0.59 0.03 0.00 -0.52 0.00 0.00 55.73 54.93 1aoh s ARG 22 Cb -0.10 -2.93 0.10 0.00 0.52 0.00 0.00 34.95 32.55 1aoh s ARG 22 CO 0.19 0.03 0.06 0.42 0.02 0.00 0.00 175.30 176.02 1aoh s ILE 23 N 0.89 2.11 0.53 1.52 1.01 0.11 -4.94 121.20 122.44 1aoh s ILE 23 Ca -0.01 -2.24 -0.22 0.00 0.00 0.00 0.00 60.65 58.19 1aoh s ILE 23 Cb -0.15 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 1aoh s ILE 23 CO 0.01 -0.61 1.31 -2.84 0.00 0.00 0.00 174.94 172.82 1aoh s PRO 24 N 0.99 3.24 -0.22 2.79 0.02 -1.26 -1.11 135.00 139.43 1aoh s PRO 24 Ca 0.11 2.13 0.02 0.00 0.02 0.00 0.00 61.00 63.28 1aoh s PRO 24 Cb -0.19 -2.26 0.04 0.00 0.02 0.00 0.00 34.50 32.11 1aoh s PRO 24 CO -0.10 -1.08 -0.15 0.08 -0.33 0.00 0.00 177.00 175.42 1aoh s VAL 25 N -1.36 2.16 0.05 3.83 1.01 -0.16 -0.94 120.40 124.98 1aoh s VAL 25 Ca 0.71 -1.29 0.05 0.00 0.00 0.00 0.00 61.98 61.45 1aoh s VAL 25 Cb -0.38 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1aoh s VAL 25 CO 0.45 0.24 -0.09 -0.13 0.00 0.00 0.00 175.10 175.57 1aoh s ARG 26 N 1.20 2.36 -0.02 2.72 0.52 0.13 0.01 118.95 125.87 1aoh s ARG 26 Ca -0.02 -0.86 0.05 0.00 -0.52 0.00 0.00 55.73 54.38 1aoh s ARG 26 Cb -0.17 -2.41 -0.03 0.00 0.52 0.00 0.00 34.95 32.87 1aoh s ARG 26 CO -0.09 0.56 -0.15 -0.06 0.02 0.00 0.00 175.30 175.58 1aoh s PHE 27 N -1.09 2.66 0.02 -0.53 0.40 -0.29 -0.67 117.98 118.48 1aoh s PHE 27 Ca 0.19 -0.19 -0.06 0.00 -0.60 0.00 0.00 56.93 56.27 1aoh s PHE 27 Cb -0.11 -1.58 -0.00 0.00 0.51 0.00 0.00 43.02 41.83 1aoh s PHE 27 CO 0.10 0.20 0.11 -1.54 0.70 0.00 0.00 175.22 174.80 1aoh s SER 28 N -0.94 0.09 0.00 1.36 1.04 -0.31 -1.23 113.70 113.71 1aoh s SER 28 Ca 0.13 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1aoh s SER 28 Cb -0.11 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1aoh s SER 28 CO 0.02 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1aoh n GLY 29 N 1.22 0.37 3.70 7.32 0.00 -1.26 -0.03 105.19 116.51 1aoh n GLY 29 Ca -0.22 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 1aoh n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aoh s ILE 30 N -2.00 2.98 0.89 -0.61 -1.09 -1.26 -4.31 121.20 115.80 1aoh s ILE 30 Ca 0.00 0.56 -0.11 0.00 -2.23 0.00 0.00 60.65 58.87 1aoh s ILE 30 Cb 0.00 -3.36 0.12 0.00 -1.58 0.00 0.00 42.46 37.64 1aoh s ILE 30 CO 0.00 0.02 1.10 -2.16 -1.23 0.00 0.00 174.94 172.66 1aoh s PRO 31 N 2.01 1.32 0.35 2.79 0.04 -1.26 -4.85 135.00 135.40 1aoh s PRO 31 Ca 0.71 1.05 0.05 0.00 0.04 0.00 0.00 61.00 62.85 1aoh s PRO 31 Cb -0.40 -1.80 0.71 0.00 0.04 0.00 0.00 34.50 33.05 1aoh s PRO 31 CO 0.31 -2.26 1.94 0.77 0.04 0.00 0.00 177.00 177.81 1aoh h SER 32 N -1.57 0.71 -0.01 6.66 0.02 -1.93 -0.26 113.55 117.16 1aoh h SER 32 Ca -0.48 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1aoh h SER 32 Cb 1.27 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1aoh h SER 32 CO 0.51 0.45 0.00 0.29 -1.14 0.00 0.00 176.83 176.94 1aoh n LYS 33 N -4.49 1.03 -0.09 3.45 4.76 -1.26 -5.02 118.16 116.55 1aoh n LYS 33 Ca 0.12 -0.05 0.01 0.00 -2.87 0.00 0.00 58.31 55.52 1aoh n LYS 33 Cb 0.24 -1.17 -0.00 0.00 -1.84 0.00 0.00 35.03 32.25 1aoh n LYS 33 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aoh n GLY 34 N 0.68 -1.23 2.88 0.72 0.00 -0.11 -1.15 105.19 106.98 1aoh n GLY 34 Ca 0.08 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 1aoh n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aoh s ILE 35 N -0.15 1.26 0.12 -0.61 -1.09 -0.31 -3.85 121.20 116.57 1aoh s ILE 35 Ca 0.00 -1.08 0.07 0.00 -2.23 0.00 0.00 60.65 57.41 1aoh s ILE 35 Cb 0.00 -1.61 -0.21 0.00 -1.58 0.00 0.00 42.46 39.06 1aoh s ILE 35 CO 0.00 -0.16 1.28 0.00 -1.23 0.00 0.00 174.94 174.83 1aoh h ALA 36 N 8.03 0.35 -2.18 9.38 0.00 -0.74 -1.07 119.26 133.04 1aoh h ALA 36 Ca -0.17 -0.91 -0.05 0.00 0.00 0.00 0.00 54.91 53.79 1aoh h ALA 36 Cb 1.08 -0.16 -0.18 0.00 0.00 0.00 0.00 17.79 18.54 1aoh h ALA 36 CO 0.40 1.24 0.21 0.54 0.00 0.00 0.00 179.25 181.64 1aoh s ASN 37 N -6.72 -0.63 -0.19 0.00 2.20 -1.18 -0.99 114.94 107.44 1aoh s ASN 37 Ca 0.01 0.57 -0.28 0.00 -0.94 0.00 0.00 52.86 52.21 1aoh s ASN 37 Cb 0.10 0.54 0.10 0.00 -2.00 0.00 0.00 41.25 39.99 1aoh s ASN 37 CO 0.82 -0.67 0.88 0.00 -2.94 0.00 0.00 177.10 175.19 1aoh s ASP 39 N -0.49 -0.22 0.16 0.00 -4.77 -0.28 -0.62 116.67 110.44 1aoh s ASP 39 Ca -0.02 0.34 -0.24 0.00 -3.30 0.00 0.00 52.55 49.32 1aoh s ASP 39 Cb -0.02 0.46 0.06 0.00 -1.09 0.00 0.00 42.92 42.32 1aoh s ASP 39 CO 0.01 -0.22 0.81 0.72 0.70 0.00 0.00 175.17 177.20 1aoh s PHE 40 N -0.42 -0.26 0.02 2.11 -0.12 -0.57 -0.91 117.98 117.83 1aoh s PHE 40 Ca -0.05 -0.04 0.06 0.00 -0.05 0.00 0.00 56.93 56.85 1aoh s PHE 40 Cb -0.04 0.63 -0.02 0.00 -0.63 0.00 0.00 43.02 42.96 1aoh s PHE 40 CO 0.01 -0.89 -0.17 0.08 -0.05 0.00 0.00 175.22 174.20 1aoh s VAL 41 N -3.51 1.35 0.12 -2.49 1.01 0.40 0.12 120.40 117.40 1aoh s VAL 41 Ca 0.09 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.19 1aoh s VAL 41 Cb -0.03 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1aoh s VAL 41 CO -0.01 0.21 -0.16 -0.31 0.00 0.00 0.00 175.10 174.83 1aoh s TYR 42 N -0.65 1.51 0.26 5.22 1.51 -0.24 -0.64 117.35 124.32 1aoh s TYR 42 Ca 0.05 -0.51 0.07 0.00 -1.01 0.00 0.00 57.07 55.68 1aoh s TYR 42 Cb -0.08 -0.79 -0.04 0.00 -0.11 0.00 0.00 41.96 40.95 1aoh s TYR 42 CO 0.01 0.18 0.19 -1.54 -1.11 0.00 0.00 175.55 173.27 1aoh s SER 43 N -2.33 5.45 0.32 2.29 1.04 0.23 -0.33 113.70 120.37 1aoh s SER 43 Ca 0.08 -0.29 -0.09 0.00 0.48 0.00 0.00 55.95 56.13 1aoh s SER 43 Cb -0.06 -1.35 0.01 0.00 0.10 0.00 0.00 66.02 64.72 1aoh s SER 43 CO 0.04 -0.05 0.55 -0.72 0.98 0.00 0.00 173.24 174.03 1aoh s TYR 44 N -2.15 0.59 -0.43 5.02 1.13 -0.85 -1.53 117.35 119.12 1aoh s TYR 44 Ca 0.33 -0.97 -0.06 0.00 -1.41 0.00 0.00 57.07 54.96 1aoh s TYR 44 Cb -0.08 0.23 0.11 0.00 -1.10 0.00 0.00 41.96 41.12 1aoh s TYR 44 CO 0.25 -1.18 0.26 0.34 -2.51 0.00 0.00 175.55 172.71 1aoh s ASP 45 N -3.12 5.47 0.22 -0.18 2.15 -1.26 -4.77 116.67 115.18 1aoh s ASP 45 Ca 0.24 -1.90 0.20 0.00 0.43 0.00 0.00 52.55 51.52 1aoh s ASP 45 Cb -0.02 -1.92 0.90 0.00 -0.30 0.00 0.00 42.92 41.59 1aoh s ASP 45 CO 0.14 -0.60 1.60 -0.81 -0.17 0.00 0.00 175.17 175.34 1aoh n PRO 46 N 4.76 0.14 0.09 4.34 -0.04 -1.26 -1.01 135.00 142.02 1aoh n PRO 46 Ca -0.06 0.47 0.13 0.00 -0.04 0.00 0.00 63.50 64.00 1aoh n PRO 46 Cb 0.41 -1.82 0.43 0.00 -0.04 0.00 0.00 33.50 32.48 1aoh n PRO 46 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1aoh n ASN 47 N -2.08 0.70 -0.04 3.54 4.13 -1.26 -4.11 115.26 116.13 1aoh n ASN 47 Ca 0.01 0.55 -0.06 0.00 1.68 0.00 0.00 54.58 56.76 1aoh n ASN 47 Cb 0.14 -0.72 -0.03 0.00 -1.54 0.00 0.00 39.78 37.63 1aoh n ASN 47 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1aoh n VAL 48 N -2.15 0.44 -4.83 2.41 0.31 -0.47 -4.83 118.33 109.21 1aoh n VAL 48 Ca 0.06 -0.16 -0.33 0.00 -0.01 0.00 0.00 64.34 63.90 1aoh n VAL 48 Cb 0.42 -0.83 -0.16 0.00 -0.91 0.00 0.00 33.84 32.36 1aoh n VAL 48 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1aoh s LEU 49 N -5.51 2.29 -0.35 7.52 1.43 -0.18 -0.46 118.68 123.42 1aoh s LEU 49 Ca -0.10 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 1aoh s LEU 49 Cb 0.03 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.76 1aoh s LEU 49 CO 0.17 0.12 0.21 -1.83 0.23 0.00 0.00 176.35 175.25 1aoh s GLU 50 N 0.59 3.24 -0.21 1.70 4.04 -0.13 -4.18 118.70 123.75 1aoh s GLU 50 Ca -0.11 -0.80 -0.29 0.00 0.04 0.00 0.00 54.97 53.80 1aoh s GLU 50 Cb -0.16 -3.73 -0.02 0.00 0.02 0.00 0.00 34.13 30.24 1aoh s GLU 50 CO 0.03 -0.52 1.43 0.42 -1.84 0.00 0.00 175.26 174.78 1aoh s ILE 51 N 1.64 3.97 -0.13 1.83 -1.09 -1.26 -1.02 121.20 125.14 1aoh s ILE 51 Ca 0.05 1.13 -0.18 0.00 -2.23 0.00 0.00 60.65 59.41 1aoh s ILE 51 Cb -0.18 -3.89 -0.25 0.00 -1.58 0.00 0.00 42.46 36.56 1aoh s ILE 51 CO 0.08 -0.28 0.50 0.40 -1.23 0.00 0.00 174.94 174.40 1aoh h ILE 52 N 5.85 1.05 -2.19 2.92 1.08 -0.79 -3.49 117.51 121.96 1aoh h ILE 52 Ca -0.30 -2.35 0.08 0.00 -0.39 0.00 0.00 64.86 61.90 1aoh h ILE 52 Cb 1.13 2.66 -0.17 0.00 -3.07 0.00 0.00 36.82 37.37 1aoh h ILE 52 CO 1.00 0.62 0.46 -1.83 -0.69 0.00 0.00 178.15 177.71 1aoh s GLU 53 N -2.43 0.84 -0.20 2.37 1.03 -1.05 -5.02 118.70 114.23 1aoh s GLU 53 Ca -0.22 -0.19 -0.01 0.00 0.03 0.00 0.00 54.97 54.59 1aoh s GLU 53 Cb 0.04 0.39 0.05 0.00 -0.80 0.00 0.00 34.13 33.81 1aoh s GLU 53 CO 0.72 -0.34 -0.03 0.42 -1.33 0.00 0.00 175.26 174.70 1aoh s ILE 54 N -2.66 1.15 0.14 1.83 1.01 -1.26 -0.31 121.20 121.10 1aoh s ILE 54 Ca 0.02 -0.85 -0.18 0.00 0.00 0.00 0.00 60.65 59.65 1aoh s ILE 54 Cb -0.01 -1.43 -0.07 0.00 0.01 0.00 0.00 42.46 40.96 1aoh s ILE 54 CO -0.06 -0.03 0.61 -1.61 0.00 0.00 0.00 174.94 173.84 1aoh s GLU 55 N 1.59 4.15 0.33 2.79 2.02 0.19 -4.89 118.70 124.88 1aoh s GLU 55 Ca -0.02 0.70 -0.29 0.00 0.02 0.00 0.00 54.97 55.37 1aoh s GLU 55 Cb -0.17 -3.04 -0.11 0.00 0.10 0.00 0.00 34.13 30.91 1aoh s GLU 55 CO -0.07 0.52 1.44 -2.14 0.02 0.00 0.00 175.26 175.03 1aoh s PRO 56 N -1.62 4.21 0.83 0.39 0.02 -1.26 -0.70 135.00 136.87 1aoh s PRO 56 Ca 0.36 2.42 -0.07 0.00 0.02 0.00 0.00 61.00 63.73 1aoh s PRO 56 Cb -0.17 -3.03 0.16 0.00 0.02 0.00 0.00 34.50 31.48 1aoh s PRO 56 CO 0.20 -0.43 1.14 0.20 -0.33 0.00 0.00 177.00 177.78 1aoh s GLY 57 N -0.06 1.77 0.60 0.52 0.00 0.13 -4.73 107.32 105.55 1aoh s GLY 57 Ca 0.54 -1.56 0.30 0.00 0.00 0.00 0.00 44.72 44.01 1aoh s GLY 57 CO 0.55 -0.89 2.16 1.05 0.00 0.00 0.00 173.10 175.96 1aoh h GLU 58 N -1.00 0.00 0.00 2.90 4.11 -1.68 -1.54 114.58 117.37 1aoh h GLU 58 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1aoh h GLU 58 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1aoh h GLU 58 CO 0.38 0.00 0.00 -0.07 0.07 0.00 0.00 179.01 179.39 1aoh h LEU 59 N 0.00 0.00 -8.38 3.06 3.38 -1.70 -3.41 115.31 108.26 1aoh h LEU 59 Ca 0.05 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.45 1aoh h LEU 59 Cb 0.33 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.98 1aoh h LEU 59 CO -0.00 0.00 0.89 -0.63 0.09 0.00 0.00 178.44 178.79 1aoh s ILE 60 N -3.44 3.96 -0.90 1.22 -1.09 -0.58 -4.56 121.20 115.82 1aoh s ILE 60 Ca 0.03 0.31 0.26 0.00 -2.23 0.00 0.00 60.65 59.02 1aoh s ILE 60 Cb 0.09 -4.80 0.12 0.00 -1.58 0.00 0.00 42.46 36.29 1aoh s ILE 60 CO 0.47 -1.62 1.61 1.33 -1.23 0.00 0.00 174.94 175.50 1aoh n VAL 61 N 6.31 0.14 -1.68 2.92 0.24 -1.26 -4.90 118.33 120.10 1aoh n VAL 61 Ca 0.02 -0.09 -0.46 0.00 -2.04 0.00 0.00 64.34 61.78 1aoh n VAL 61 Cb 0.48 -0.17 -0.04 0.00 -1.47 0.00 0.00 33.84 32.64 1aoh n VAL 61 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1aoh n ASP 62 N -1.71 3.29 0.06 -1.34 -0.08 -1.26 -4.85 116.55 110.65 1aoh n ASP 62 Ca 0.06 1.06 0.21 0.00 -1.51 0.00 0.00 54.79 54.60 1aoh n ASP 62 Cb 0.37 -1.44 0.74 0.00 2.34 0.00 0.00 41.12 43.12 1aoh n ASP 62 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1aoh h PRO 63 N 6.54 0.00 -3.17 -0.67 0.11 -2.01 -2.85 132.00 129.95 1aoh h PRO 63 Ca -0.45 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.03 1aoh h PRO 63 Cb 1.25 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.95 1aoh h PRO 63 CO 0.91 0.00 -0.54 -0.80 -0.21 0.00 0.00 178.00 177.36 1aoh s ASN 64 N -5.66 4.84 0.32 -2.05 0.01 -1.26 -5.00 114.94 106.14 1aoh s ASN 64 Ca -0.05 -3.66 0.10 0.00 -0.71 0.00 0.00 52.86 48.54 1aoh s ASN 64 Cb 0.17 -1.67 0.94 0.00 0.41 0.00 0.00 41.25 41.11 1aoh s ASN 64 CO 0.62 -0.13 1.66 -0.65 -1.51 0.00 0.00 177.10 177.09 1aoh h PRO 65 N 5.70 0.28 0.00 -0.60 0.11 -1.85 0.99 132.00 136.62 1aoh h PRO 65 Ca 0.10 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1aoh h PRO 65 Cb 0.79 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1aoh h PRO 65 CO 0.72 0.19 0.00 0.25 -0.21 0.00 0.00 178.00 178.95 1aoh n THR 66 N -5.11 1.12 0.17 -1.15 -2.24 -1.26 -1.17 114.28 104.64 1aoh n THR 66 Ca 0.28 0.37 0.06 0.00 -2.27 0.00 0.00 64.05 62.50 1aoh n THR 66 Cb 0.86 -1.27 0.08 0.00 -2.10 0.00 0.00 70.33 67.90 1aoh n THR 66 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1aoh h LYS 67 N 0.00 0.00 0.00 -0.78 1.57 -1.20 -3.33 116.57 112.84 1aoh h LYS 67 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1aoh h LYS 67 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1aoh h LYS 67 CO 0.00 0.29 -1.62 0.43 -0.57 0.00 0.00 179.45 177.97 1aoh n SER 68 N -3.16 1.94 -4.10 0.86 7.64 -0.47 -4.40 113.62 111.93 1aoh n SER 68 Ca 0.03 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.67 1aoh n SER 68 Cb 0.65 1.58 -0.16 0.00 -1.01 0.00 0.00 64.21 65.27 1aoh n SER 68 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1aoh s PHE 69 N -2.90 1.43 0.13 1.43 2.19 -0.32 -0.74 117.98 119.20 1aoh s PHE 69 Ca -0.05 -0.37 -0.15 0.00 0.33 0.00 0.00 56.93 56.69 1aoh s PHE 69 Cb 0.08 -0.97 0.03 0.00 -1.31 0.00 0.00 43.02 40.86 1aoh s PHE 69 CO 0.56 -0.12 0.39 0.34 1.83 0.00 0.00 175.22 178.22 1aoh s ASP 70 N 0.00 -0.20 0.04 6.13 2.15 -0.03 -4.38 116.67 120.39 1aoh s ASP 70 Ca -0.02 -0.39 -0.05 0.00 0.43 0.00 0.00 52.55 52.53 1aoh s ASP 70 Cb -0.10 0.47 -0.01 0.00 -0.30 0.00 0.00 42.92 42.98 1aoh s ASP 70 CO 0.01 -0.87 0.09 0.42 -0.17 0.00 0.00 175.17 174.65 1aoh s THR 71 N -3.82 0.14 -0.06 1.71 -4.23 -1.26 -0.65 115.64 107.47 1aoh s THR 71 Ca 0.04 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1aoh s THR 71 Cb 0.02 -0.90 0.02 0.00 1.34 0.00 0.00 72.50 72.98 1aoh s THR 71 CO -0.10 -0.62 -0.03 0.00 -0.54 0.00 0.00 174.62 173.33 1aoh s ALA 72 N -2.64 0.73 -0.16 3.99 0.00 -0.40 -4.98 121.76 118.30 1aoh s ALA 72 Ca -0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 1aoh s ALA 72 Cb -0.01 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1aoh s ALA 72 CO -0.05 -0.19 -0.04 0.08 0.00 0.00 0.00 175.76 175.56 1aoh s VAL 73 N 1.33 3.82 -0.50 0.00 1.01 -1.26 -0.45 120.40 124.35 1aoh s VAL 73 Ca -0.05 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1aoh s VAL 73 Cb -0.13 -2.68 0.13 0.00 0.00 0.00 0.00 36.38 33.70 1aoh s VAL 73 CO -0.02 0.49 0.24 -0.31 0.00 0.00 0.00 175.10 175.50 1aoh s TYR 74 N 0.44 3.12 0.33 5.22 2.02 0.22 -4.99 117.35 123.70 1aoh s TYR 74 Ca -0.04 -3.10 0.04 0.00 -0.37 0.00 0.00 57.07 53.59 1aoh s TYR 74 Cb -0.14 -2.75 0.65 0.00 -0.40 0.00 0.00 41.96 39.31 1aoh s TYR 74 CO 0.03 -0.76 1.91 -1.35 -1.57 0.00 0.00 175.55 173.82 1aoh h PRO 75 N 6.59 0.86 -0.40 -1.71 0.11 -1.95 0.17 132.00 135.67 1aoh h PRO 75 Ca -0.07 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 1aoh h PRO 75 Cb 0.90 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 1aoh h PRO 75 CO 0.66 0.57 0.14 0.22 -0.21 0.00 0.00 178.00 179.38 1aoh h ASP 76 N 0.88 0.57 0.13 -2.05 3.58 -1.96 -2.45 116.42 115.13 1aoh h ASP 76 Ca 0.38 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1aoh h ASP 76 Cb 0.33 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1aoh h ASP 76 CO -0.15 0.60 -0.08 0.54 -2.88 0.00 0.00 179.24 177.27 1aoh n ARG 77 N -4.62 1.16 -3.53 0.28 5.12 -1.04 -4.95 116.66 109.08 1aoh n ARG 77 Ca -0.00 -0.56 -0.21 0.00 -1.93 0.00 0.00 57.85 55.15 1aoh n ARG 77 Cb 0.16 -1.49 0.08 0.00 -1.16 0.00 0.00 32.46 30.06 1aoh n ARG 77 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1aoh n LYS 78 N -0.43 -7.32 -4.14 5.56 5.02 0.50 -4.97 118.16 112.37 1aoh n LYS 78 Ca 0.17 0.83 -0.14 0.00 -2.02 0.00 0.00 58.31 57.15 1aoh n LYS 78 Cb 0.30 -5.87 -0.11 0.00 -0.02 0.00 0.00 35.03 29.34 1aoh n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aoh s MET 79 N -5.89 0.76 -0.15 1.97 0.23 -0.65 -2.00 119.30 113.57 1aoh s MET 79 Ca 0.32 -1.06 0.01 0.00 -1.03 0.00 0.00 55.69 53.94 1aoh s MET 79 Cb -0.14 -0.45 0.02 0.00 -1.53 0.00 0.00 34.83 32.72 1aoh s MET 79 CO 0.73 0.07 -0.18 0.42 -2.03 0.00 0.00 175.02 174.03 1aoh s ILE 80 N -2.21 1.84 -0.20 3.16 1.01 0.55 -0.61 121.20 124.74 1aoh s ILE 80 Ca 0.02 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 1aoh s ILE 80 Cb -0.04 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 1aoh s ILE 80 CO -0.00 0.51 0.03 -0.69 0.00 0.00 0.00 174.94 174.79 1aoh s VAL 81 N 1.15 4.28 -0.19 2.92 1.01 0.40 -1.07 120.40 128.90 1aoh s VAL 81 Ca -0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 1aoh s VAL 81 Cb -0.14 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1aoh s VAL 81 CO -0.07 0.42 0.05 -0.36 0.00 0.00 0.00 175.10 175.14 1aoh s PHE 82 N 0.94 3.20 -0.15 5.22 0.40 0.12 -1.28 117.98 126.43 1aoh s PHE 82 Ca 0.03 -0.02 -0.00 0.00 -0.60 0.00 0.00 56.93 56.33 1aoh s PHE 82 Cb -0.14 -2.09 0.04 0.00 0.51 0.00 0.00 43.02 41.34 1aoh s PHE 82 CO 0.02 0.07 -0.06 -0.51 0.70 0.00 0.00 175.22 175.44 1aoh s LEU 83 N 0.54 1.44 -0.06 -0.37 1.43 0.18 -1.51 118.68 120.33 1aoh s LEU 83 Ca 0.03 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1aoh s LEU 83 Cb -0.13 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.21 1aoh s LEU 83 CO 0.01 -0.16 -0.16 0.12 0.23 0.00 0.00 176.35 176.39 1aoh s PHE 84 N 1.66 1.75 -0.28 0.29 5.36 0.20 -0.85 117.98 126.12 1aoh s PHE 84 Ca 0.02 -0.60 0.01 0.00 -0.96 0.00 0.00 56.93 55.40 1aoh s PHE 84 Cb -0.14 -1.21 0.16 0.00 -0.34 0.00 0.00 43.02 41.49 1aoh s PHE 84 CO -0.08 -0.25 0.44 0.00 -1.46 0.00 0.00 175.22 173.87 1aoh s ALA 85 N 0.33 -1.40 -0.06 11.12 0.00 0.08 -1.22 121.76 130.61 1aoh s ALA 85 Ca -0.10 0.68 -0.37 0.00 0.00 0.00 0.00 51.96 52.17 1aoh s ALA 85 Cb -0.14 -2.01 -0.14 0.00 0.00 0.00 0.00 23.12 20.82 1aoh s ALA 85 CO 0.04 -1.57 1.66 -0.85 0.00 0.00 0.00 175.76 175.04 1aoh n GLU 86 N 5.37 1.62 0.29 0.00 -0.00 -0.16 -4.43 120.64 123.33 1aoh n GLU 86 Ca -0.00 0.59 0.19 0.00 -0.00 0.00 0.00 57.16 57.93 1aoh n GLU 86 Cb 0.50 -2.32 0.82 0.00 -0.00 0.00 0.00 31.44 30.43 1aoh n GLU 86 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1aoh h ASP 87 N 6.92 0.00 0.21 -1.84 3.58 -1.87 -3.30 116.42 120.13 1aoh h ASP 87 Ca -0.47 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 56.88 1aoh h ASP 87 Cb 1.30 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.34 1aoh h ASP 87 CO 0.90 0.00 -0.36 0.77 -2.88 0.00 0.00 179.24 177.67 1aoh h SER 88 N 0.00 0.22 0.00 2.28 4.64 -1.95 -3.47 113.55 115.28 1aoh h SER 88 Ca -0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1aoh h SER 88 Cb 0.39 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1aoh h SER 88 CO 0.00 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 1aoh n GLY 89 N -0.31 0.89 0.02 -0.77 0.00 -1.24 -4.79 105.19 98.98 1aoh n GLY 89 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1aoh n GLY 89 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aoh n THR 90 N -2.16 0.00 0.00 2.61 -2.24 -1.26 -4.97 114.28 106.25 1aoh n THR 90 Ca 0.00 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1aoh n THR 90 Cb 0.00 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1aoh n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aoh n GLY 91 N 0.90 0.42 0.37 3.38 0.00 -1.26 -5.00 105.19 104.00 1aoh n GLY 91 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1aoh n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aoh h ALA 92 N 0.00 1.84 -0.65 4.61 0.00 -1.93 -2.07 119.26 121.06 1aoh h ALA 92 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1aoh h ALA 92 Cb 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1aoh h ALA 92 CO 0.00 -0.04 0.13 0.66 0.00 0.00 0.00 179.25 180.00 1aoh n TYR 93 N -4.53 2.27 -2.01 0.00 4.01 -1.26 -4.97 117.16 110.67 1aoh n TYR 93 Ca 0.15 -0.94 -0.36 0.00 -0.16 0.00 0.00 57.90 56.59 1aoh n TYR 93 Cb 0.41 -0.60 0.03 0.00 -0.31 0.00 0.00 39.34 38.88 1aoh n TYR 93 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aoh s ALA 94 N -2.85 2.58 0.17 -0.72 0.00 -0.78 -4.53 121.76 115.62 1aoh s ALA 94 Ca 0.55 1.03 -0.30 0.00 0.00 0.00 0.00 51.96 53.23 1aoh s ALA 94 Cb 0.43 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 20.01 1aoh s ALA 94 CO 0.15 -1.16 1.24 0.42 0.00 0.00 0.00 175.76 176.41 1aoh s ILE 95 N -1.57 3.51 0.00 0.00 1.01 -0.40 -4.81 121.20 118.94 1aoh s ILE 95 Ca 0.77 1.22 0.00 0.00 0.00 0.00 0.00 60.65 62.64 1aoh s ILE 95 Cb -0.31 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1aoh s ILE 95 CO 0.34 0.17 0.70 0.35 0.00 0.00 0.00 174.94 176.50 1aoh n THR 96 N 2.82 0.47 -3.87 2.92 -2.24 -1.26 -1.16 114.28 111.95 1aoh n THR 96 Ca 0.06 -0.66 -0.07 0.00 -2.27 0.00 0.00 64.05 61.10 1aoh n THR 96 Cb 0.44 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.47 1aoh n THR 96 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1aoh s GLU 97 N -0.47 1.73 0.40 -0.78 -1.05 -1.26 -4.91 118.70 112.36 1aoh s GLU 97 Ca 0.00 -1.02 -0.23 0.00 -0.15 0.00 0.00 54.97 53.57 1aoh s GLU 97 Cb 0.00 0.58 -0.11 0.00 -0.44 0.00 0.00 34.13 34.17 1aoh s GLU 97 CO 0.00 -0.78 0.95 -0.51 0.95 0.00 0.00 175.26 175.87 1aoh s ASP 98 N -2.93 7.06 0.00 0.83 1.01 -1.26 -4.82 116.67 116.55 1aoh s ASP 98 Ca 0.13 1.74 0.00 0.00 0.71 0.00 0.00 52.55 55.13 1aoh s ASP 98 Cb -0.05 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1aoh s ASP 98 CO 0.07 -0.27 0.00 0.61 0.21 0.00 0.00 175.17 175.78 1aoh n GLY 99 N -0.25 -0.35 3.59 0.21 0.00 -0.36 -5.00 105.19 103.04 1aoh n GLY 99 Ca 0.05 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1aoh n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aoh s VAL 100 N -3.24 4.69 0.04 1.61 1.01 -1.26 -1.14 120.40 122.11 1aoh s VAL 100 Ca 0.00 1.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.82 1aoh s VAL 100 Cb 0.00 -4.24 -0.26 0.00 0.00 0.00 0.00 36.38 31.88 1aoh s VAL 100 CO 0.00 -0.45 1.11 0.15 0.00 0.00 0.00 175.10 175.92 1aoh h PHE 101 N 8.44 0.87 -3.18 5.22 3.57 -0.75 -2.15 116.94 128.95 1aoh h PHE 101 Ca -0.24 -0.51 -0.01 0.00 3.53 0.00 0.00 57.97 60.75 1aoh h PHE 101 Cb 1.09 -0.09 -0.10 0.00 2.79 0.00 0.00 35.95 39.65 1aoh h PHE 101 CO 0.80 1.34 0.11 0.00 -2.23 0.00 0.00 178.31 178.33 1aoh s ALA 102 N -3.11 -1.15 -0.14 2.41 0.00 -1.13 0.18 121.76 118.81 1aoh s ALA 102 Ca -0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 1aoh s ALA 102 Cb 0.05 0.86 0.04 0.00 0.00 0.00 0.00 23.12 24.06 1aoh s ALA 102 CO 0.89 -0.83 -0.05 0.99 0.00 0.00 0.00 175.76 176.76 1aoh s THR 103 N -3.85 0.97 -0.02 0.00 2.01 0.13 -0.99 115.64 113.88 1aoh s THR 103 Ca 0.07 -0.43 -0.27 0.00 0.31 0.00 0.00 61.69 61.37 1aoh s THR 103 Cb -0.02 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 1aoh s THR 103 CO -0.04 0.20 0.87 -0.63 -0.69 0.00 0.00 174.62 174.34 1aoh s ILE 104 N 1.71 4.93 -0.31 1.82 1.01 -0.27 -0.64 121.20 129.46 1aoh s ILE 104 Ca 0.03 1.83 -0.06 0.00 0.00 0.00 0.00 60.65 62.44 1aoh s ILE 104 Cb -0.14 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.14 1aoh s ILE 104 CO -0.08 0.20 0.08 -0.69 0.00 0.00 0.00 174.94 174.45 1aoh s VAL 105 N 0.91 3.79 0.03 2.92 1.01 0.58 0.09 120.40 129.74 1aoh s VAL 105 Ca 0.46 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.58 1aoh s VAL 105 Cb -0.20 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1aoh s VAL 105 CO 0.24 -0.01 -0.12 0.00 0.00 0.00 0.00 175.10 175.21 1aoh s ALA 106 N 1.44 0.95 -0.21 5.51 0.00 -0.04 -0.01 121.76 129.40 1aoh s ALA 106 Ca 0.01 -0.73 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 1aoh s ALA 106 Cb -0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 1aoh s ALA 106 CO 0.02 0.16 0.17 0.21 0.00 0.00 0.00 175.76 176.32 1aoh s LYS 107 N -1.07 4.16 -0.33 0.00 2.20 -0.19 0.02 119.74 124.53 1aoh s LYS 107 Ca -0.01 -0.18 -0.29 0.00 -0.36 0.00 0.00 55.97 55.14 1aoh s LYS 107 Cb -0.07 -3.46 0.02 0.00 -1.51 0.00 0.00 37.83 32.80 1aoh s LYS 107 CO 0.01 0.20 1.10 0.08 -0.36 0.00 0.00 175.35 176.38 1aoh s VAL 108 N 0.64 4.45 0.28 4.02 1.01 0.22 -0.95 120.40 130.07 1aoh s VAL 108 Ca 0.09 1.67 -0.29 0.00 0.00 0.00 0.00 61.98 63.45 1aoh s VAL 108 Cb -0.12 -4.40 -0.14 0.00 0.00 0.00 0.00 36.38 31.72 1aoh s VAL 108 CO 0.01 -0.51 1.17 0.29 0.00 0.00 0.00 175.10 176.07 1aoh n LYS 109 N 6.97 1.66 -0.23 2.72 5.02 0.39 -0.01 118.16 134.67 1aoh n LYS 109 Ca 0.12 0.58 0.30 0.00 -2.02 0.00 0.00 58.31 57.30 1aoh n LYS 109 Cb 0.47 -2.08 0.72 0.00 -0.02 0.00 0.00 35.03 34.12 1aoh n LYS 109 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1aoh h SER 110 N 2.70 0.03 -0.55 4.39 0.02 -1.90 -1.02 113.55 117.22 1aoh h SER 110 Ca -0.43 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1aoh h SER 110 Cb 1.31 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1aoh h SER 110 CO 0.65 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.96 1aoh n GLY 111 N -1.71 3.07 3.77 -3.77 0.00 -1.26 -4.70 105.19 100.58 1aoh n GLY 111 Ca 0.21 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 1aoh n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aoh s ALA 112 N -2.40 3.47 0.65 4.61 0.00 -0.39 -4.99 121.76 122.71 1aoh s ALA 112 Ca 0.51 1.33 -0.14 0.00 0.00 0.00 0.00 51.96 53.66 1aoh s ALA 112 Cb 0.37 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 1aoh s ALA 112 CO 0.18 -0.78 1.07 -1.25 0.00 0.00 0.00 175.76 174.98 1aoh s PRO 113 N -1.95 2.99 0.63 0.00 0.04 -1.26 -4.82 135.00 130.63 1aoh s PRO 113 Ca 0.51 1.17 -0.14 0.00 0.04 0.00 0.00 61.00 62.58 1aoh s PRO 113 Cb -0.41 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 1aoh s PRO 113 CO 0.55 -1.07 1.06 -0.80 0.04 0.00 0.00 177.00 176.78 1aoh s ASN 114 N -3.10 5.59 0.00 6.66 -0.87 -1.26 -4.68 114.94 117.28 1aoh s ASN 114 Ca 0.62 1.77 0.00 0.00 -1.57 0.00 0.00 52.86 53.69 1aoh s ASN 114 Cb -0.16 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.54 1aoh s ASN 114 CO 0.45 -1.30 0.00 0.61 -2.57 0.00 0.00 177.10 174.29 1aoh n GLY 115 N -1.23 1.27 3.71 0.66 0.00 0.22 -4.89 105.19 104.94 1aoh n GLY 115 Ca 0.08 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 1aoh n GLY 115 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1aoh s LEU 116 N 0.00 4.39 -0.32 0.99 2.96 -1.26 -0.99 118.68 124.45 1aoh s LEU 116 Ca 0.00 1.82 -0.08 0.00 -0.22 0.00 0.00 54.13 55.65 1aoh s LEU 116 Cb 0.00 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.13 1aoh s LEU 116 CO 0.00 -0.31 0.12 -0.55 -1.32 0.00 0.00 176.35 174.29 1aoh s SER 117 N 0.85 5.35 0.16 3.68 0.15 0.13 -4.97 113.70 119.05 1aoh s SER 117 Ca 0.54 -0.81 -0.28 0.00 0.70 0.00 0.00 55.95 56.09 1aoh s SER 117 Cb -0.25 -1.93 -0.07 0.00 -1.71 0.00 0.00 66.02 62.06 1aoh s SER 117 CO 0.29 -0.25 0.88 -0.69 1.20 0.00 0.00 173.24 174.67 1aoh s VAL 118 N 1.51 4.34 -0.36 4.45 1.01 -1.26 -1.56 120.40 128.53 1aoh s VAL 118 Ca 0.02 1.93 -0.01 0.00 0.00 0.00 0.00 61.98 63.92 1aoh s VAL 118 Cb -0.18 -4.25 0.09 0.00 0.00 0.00 0.00 36.38 32.04 1aoh s VAL 118 CO 0.04 0.44 0.10 -0.63 0.00 0.00 0.00 175.10 175.05 1aoh s ILE 119 N -0.74 2.98 -0.11 2.22 1.01 0.03 -4.18 121.20 122.41 1aoh s ILE 119 Ca 0.41 -1.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.15 1aoh s ILE 119 Cb -0.24 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 1aoh s ILE 119 CO 0.29 -0.47 -0.00 -0.75 0.00 0.00 0.00 174.94 174.01 1aoh s LYS 120 N 1.13 3.21 0.21 2.79 2.20 -0.59 -1.29 119.74 127.41 1aoh s LYS 120 Ca 0.04 -0.43 -0.31 0.00 -0.36 0.00 0.00 55.97 54.91 1aoh s LYS 120 Cb -0.21 -2.85 -0.11 0.00 -1.51 0.00 0.00 37.83 33.15 1aoh s LYS 120 CO -0.04 0.57 1.57 0.12 -0.36 0.00 0.00 175.35 177.21 1aoh s PHE 121 N -0.51 2.97 -0.10 4.03 5.36 -1.26 0.76 117.98 129.23 1aoh s PHE 121 Ca 0.09 0.69 -0.07 0.00 -0.96 0.00 0.00 56.93 56.68 1aoh s PHE 121 Cb -0.12 -3.97 -0.05 0.00 -0.34 0.00 0.00 43.02 38.55 1aoh s PHE 121 CO 0.02 -3.44 -0.17 0.28 -1.46 0.00 0.00 175.22 170.45 1aoh n VAL 122 N 3.30 0.94 -3.54 3.12 0.31 0.19 -4.81 118.33 117.84 1aoh n VAL 122 Ca 0.12 -0.02 -0.15 0.00 -0.01 0.00 0.00 64.34 64.28 1aoh n VAL 122 Cb 0.38 -1.77 -0.06 0.00 -0.91 0.00 0.00 33.84 31.48 1aoh n VAL 122 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1aoh s GLU 123 N -2.30 0.87 -0.03 5.55 2.12 -1.09 -4.99 118.70 118.84 1aoh s GLU 123 Ca -0.17 0.23 0.05 0.00 0.36 0.00 0.00 54.97 55.45 1aoh s GLU 123 Cb 0.05 0.41 -0.03 0.00 0.26 0.00 0.00 34.13 34.83 1aoh s GLU 123 CO 0.22 -0.27 -0.16 0.54 -0.54 0.00 0.00 175.26 175.05 1aoh s VAL 124 N -1.11 2.92 0.00 3.70 0.11 -1.26 -0.45 120.40 124.31 1aoh s VAL 124 Ca -0.07 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.12 1aoh s VAL 124 Cb -0.00 -2.16 0.00 0.00 -1.53 0.00 0.00 36.38 32.69 1aoh s VAL 124 CO 0.06 0.53 0.00 0.61 -3.33 0.00 0.00 175.10 172.98 1aoh n GLY 125 N 2.13 0.05 3.94 6.54 0.00 -0.09 -4.97 105.19 112.79 1aoh n GLY 125 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 1aoh n GLY 125 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aoh s GLY 126 N 0.00 1.35 -0.43 -0.02 0.00 -1.25 -4.89 107.32 102.07 1aoh s GLY 126 Ca 0.00 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.82 1aoh s GLY 126 CO 0.00 -0.87 0.79 -0.12 0.00 0.00 0.00 173.10 172.90 1aoh s PHE 127 N -2.27 -1.30 0.21 1.90 2.19 -1.25 -1.13 117.98 116.33 1aoh s PHE 127 Ca 0.39 -0.14 0.11 0.00 0.33 0.00 0.00 56.93 57.62 1aoh s PHE 127 Cb -0.10 0.25 -0.05 0.00 -1.31 0.00 0.00 43.02 41.82 1aoh s PHE 127 CO 0.35 -0.96 -0.22 0.00 1.83 0.00 0.00 175.22 176.23 1aoh s ALA 128 N 1.36 2.47 0.83 11.12 0.00 -0.23 -0.31 121.76 137.00 1aoh s ALA 128 Ca 0.22 -1.67 -0.06 0.00 0.00 0.00 0.00 51.96 50.46 1aoh s ALA 128 Cb 0.01 -0.28 0.12 0.00 0.00 0.00 0.00 23.12 22.97 1aoh s ALA 128 CO -0.08 0.35 0.73 0.27 0.00 0.00 0.00 175.76 177.03 1aoh n ASN 129 N 0.06 0.39 0.10 0.00 2.04 -0.59 -0.21 115.26 117.04 1aoh n ASN 129 Ca -0.11 -1.46 0.09 0.00 -0.44 0.00 0.00 54.58 52.66 1aoh n ASN 129 Cb 0.57 -0.53 0.42 0.00 -2.53 0.00 0.00 39.78 37.72 1aoh n ASN 129 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1aoh n ASN 130 N -3.28 0.44 -0.49 0.53 3.02 -0.30 -0.00 115.26 115.17 1aoh n ASN 130 Ca 0.10 0.63 0.11 0.00 -0.03 0.00 0.00 54.58 55.40 1aoh n ASN 130 Cb 0.36 -0.72 0.43 0.00 -0.61 0.00 0.00 39.78 39.24 1aoh n ASN 130 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1aoh n ASP 131 N -2.01 1.50 -2.17 6.41 8.00 -1.26 -4.91 116.55 122.11 1aoh n ASP 131 Ca 0.01 -1.64 -0.20 0.00 0.71 0.00 0.00 54.79 53.68 1aoh n ASP 131 Cb 0.15 -0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 1aoh n ASP 131 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1aoh n LEU 132 N 0.20 -1.85 -4.72 0.64 4.77 1.00 -4.99 117.00 112.05 1aoh n LEU 132 Ca 0.17 0.04 -0.38 0.00 -0.03 0.00 0.00 56.01 55.81 1aoh n LEU 132 Cb 0.31 -2.80 -0.06 0.00 -2.33 0.00 0.00 43.42 38.54 1aoh n LEU 132 CO 0.14 -0.30 0.13 -0.69 -1.33 0.00 0.00 177.39 175.34 1aoh s VAL 133 N -2.96 5.22 0.26 4.08 1.01 -1.26 -4.79 120.40 121.97 1aoh s VAL 133 Ca 0.00 0.86 -0.30 0.00 0.00 0.00 0.00 61.98 62.53 1aoh s VAL 133 Cb 0.00 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 32.50 1aoh s VAL 133 CO 0.00 0.34 1.53 -1.61 0.00 0.00 0.00 175.10 175.36 1aoh s GLU 134 N 0.63 4.19 0.08 2.72 0.41 -1.26 -1.54 118.70 123.92 1aoh s GLU 134 Ca 0.24 2.45 0.01 0.00 -0.41 0.00 0.00 54.97 57.26 1aoh s GLU 134 Cb -0.15 -3.07 -0.04 0.00 -1.78 0.00 0.00 34.13 29.10 1aoh s GLU 134 CO 0.09 -0.55 0.20 -0.65 -0.49 0.00 0.00 175.26 173.85 1aoh s GLN 135 N -0.30 3.31 0.31 1.61 -1.52 0.57 -4.92 119.66 118.74 1aoh s GLN 135 Ca 0.62 -0.53 -0.28 0.00 -1.95 0.00 0.00 55.36 53.22 1aoh s GLN 135 Cb -0.45 -2.95 -0.09 0.00 -0.22 0.00 0.00 33.01 29.29 1aoh s GLN 135 CO 0.44 0.58 1.07 -1.59 -0.25 0.00 0.00 175.29 175.55 1aoh s LYS 136 N -2.64 4.51 0.17 2.91 -2.85 -1.26 -4.87 119.74 115.71 1aoh s LYS 136 Ca 0.34 1.69 0.05 0.00 -1.00 0.00 0.00 55.97 57.04 1aoh s LYS 136 Cb -0.12 -2.99 -0.05 0.00 -2.06 0.00 0.00 37.83 32.61 1aoh s LYS 136 CO 0.27 0.12 -0.08 0.95 0.10 0.00 0.00 175.35 176.71 1aoh s THR 137 N -1.32 1.19 -0.15 3.79 -4.23 -1.26 -0.85 115.64 112.80 1aoh s THR 137 Ca 0.48 -2.07 -0.04 0.00 -1.18 0.00 0.00 61.69 58.89 1aoh s THR 137 Cb -0.28 -1.99 0.07 0.00 1.34 0.00 0.00 72.50 71.64 1aoh s THR 137 CO 0.36 -0.63 0.22 -1.10 -0.54 0.00 0.00 174.62 172.93 1aoh s GLN 138 N -3.77 0.14 -0.11 3.99 -0.21 -0.40 -4.88 119.66 114.42 1aoh s GLN 138 Ca 0.20 0.44 -0.05 0.00 0.02 0.00 0.00 55.36 55.97 1aoh s GLN 138 Cb 0.03 -0.65 -0.04 0.00 1.00 0.00 0.00 33.01 33.35 1aoh s GLN 138 CO 0.03 -0.47 0.09 -0.06 -2.12 0.00 0.00 175.29 172.76 1aoh s PHE 139 N 2.34 3.44 0.09 0.91 0.40 -1.26 -0.76 117.98 123.14 1aoh s PHE 139 Ca 0.04 0.41 0.09 0.00 -0.60 0.00 0.00 56.93 56.87 1aoh s PHE 139 Cb -0.14 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.48 1aoh s PHE 139 CO -0.09 0.64 -0.23 -0.06 0.70 0.00 0.00 175.22 176.18 1aoh s PHE 140 N -0.98 1.99 0.50 0.36 0.40 0.63 -4.96 117.98 115.91 1aoh s PHE 140 Ca 0.15 -0.40 -0.06 0.00 -0.60 0.00 0.00 56.93 56.02 1aoh s PHE 140 Cb -0.12 -1.12 -0.03 0.00 0.51 0.00 0.00 43.02 42.26 1aoh s PHE 140 CO 0.04 0.21 0.82 -0.51 0.70 0.00 0.00 175.22 176.47 1aoh s ASP 141 N -1.71 6.23 0.00 1.36 1.01 -1.26 -3.07 116.67 119.23 1aoh s ASP 141 Ca 0.09 0.97 0.00 0.00 0.71 0.00 0.00 52.55 54.32 1aoh s ASP 141 Cb -0.10 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.59 1aoh s ASP 141 CO 0.04 -0.63 0.00 0.61 0.21 0.00 0.00 175.17 175.40 1aoh n GLY 142 N -2.33 4.80 0.00 0.21 0.00 -0.41 -4.45 105.19 103.01 1aoh n GLY 142 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1aoh n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aoh n GLY 143 N 0.00 0.72 3.01 -0.02 0.00 -0.20 -0.79 105.19 107.91 1aoh n GLY 143 Ca 0.00 -1.73 -0.27 0.00 0.00 0.00 0.00 46.02 44.03 1aoh n GLY 143 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aoh s VAL 144 N -3.10 1.25 -0.64 1.61 1.01 -0.60 -1.15 120.40 118.79 1aoh s VAL 144 Ca 0.00 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.28 1aoh s VAL 144 Cb 0.00 -1.17 0.10 0.00 0.00 0.00 0.00 36.38 35.31 1aoh s VAL 144 CO 0.00 0.39 0.82 0.21 0.00 0.00 0.00 175.10 176.52 1aoh s ASN 145 N 1.00 6.23 0.03 3.32 2.47 0.16 -0.70 114.94 127.45 1aoh s ASN 145 Ca -0.08 -1.36 -0.30 0.00 0.42 0.00 0.00 52.86 51.54 1aoh s ASN 145 Cb -0.15 -2.35 -0.06 0.00 -1.45 0.00 0.00 41.25 37.25 1aoh s ASN 145 CO -0.01 -1.21 1.34 -0.69 -3.72 0.00 0.00 177.10 172.81 1aoh s VAL 146 N 3.09 3.74 0.00 -5.21 1.01 -0.16 -2.14 120.40 120.73 1aoh s VAL 146 Ca 0.17 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.33 1aoh s VAL 146 Cb -0.20 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1aoh s VAL 146 CO 0.06 0.04 0.19 0.61 0.00 0.00 0.00 175.10 176.00