#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pro s GLN 2 N 0.00 4.08 -0.18 0.54 0.74 -1.26 -5.09 119.66 118.49 1pro s GLN 2 Ca 0.00 -0.22 0.01 0.00 0.05 0.00 0.00 55.36 55.20 1pro s GLN 2 Cb 0.00 -3.37 0.02 0.00 1.10 0.00 0.00 33.01 30.76 1pro s GLN 2 CO 0.00 0.36 -0.20 0.42 -0.55 0.00 0.00 175.29 175.32 1pro s ILE 3 N 0.19 2.04 0.58 -2.34 1.01 -1.26 -5.13 121.20 116.30 1pro s ILE 3 Ca 0.08 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 1pro s ILE 3 Cb -0.11 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.52 1pro s ILE 3 CO -0.01 0.54 0.87 0.42 0.00 0.00 0.00 174.94 176.76 1pro s THR 4 N 1.30 3.48 -0.23 2.92 -4.23 -1.26 -5.02 115.64 112.59 1pro s THR 4 Ca 0.05 -0.14 0.13 0.00 -1.18 0.00 0.00 61.69 60.55 1pro s THR 4 Cb -0.13 -3.38 0.53 0.00 1.34 0.00 0.00 72.50 70.86 1pro s THR 4 CO -0.13 -0.37 1.46 0.18 -0.54 0.00 0.00 174.62 175.23 1pro n LEU 5 N -2.54 4.12 0.17 4.79 4.77 -1.26 -4.45 117.00 122.60 1pro n LEU 5 Ca 0.05 -3.33 0.01 0.00 -0.03 0.00 0.00 56.01 52.71 1pro n LEU 5 Cb 0.58 -0.59 0.28 0.00 -2.33 0.00 0.00 43.42 41.35 1pro n LEU 5 CO 0.51 0.91 0.62 -0.50 -1.33 0.00 0.00 177.39 177.61 1pro h TRP 6 N 1.46 0.00 -1.95 -1.77 4.06 -2.06 -3.43 115.95 112.25 1pro h TRP 6 Ca 0.11 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.49 1pro h TRP 6 Cb 1.60 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 29.66 1pro h TRP 6 CO 0.75 0.48 -0.61 -0.65 -3.56 0.00 0.00 178.44 174.85 1pro s GLN 7 N -3.90 2.13 0.24 0.49 -0.21 -1.26 -5.10 119.66 112.05 1pro s GLN 7 Ca -0.02 -1.69 -0.31 0.00 0.02 0.00 0.00 55.36 53.36 1pro s GLN 7 Cb 0.13 -1.99 -0.13 0.00 1.00 0.00 0.00 33.01 32.03 1pro s GLN 7 CO 0.74 0.16 1.46 0.54 -2.12 0.00 0.00 175.29 176.06 1pro n ARG 8 N -0.97 2.16 -1.87 2.91 1.74 -1.26 -4.87 116.66 114.49 1pro n ARG 8 Ca -0.04 0.77 -0.38 0.00 -0.77 0.00 0.00 57.85 57.43 1pro n ARG 8 Cb 0.62 -2.46 -0.04 0.00 -1.02 0.00 0.00 32.46 29.56 1pro n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1pro n PRO 9 N 2.21 2.10 -3.65 5.56 -0.04 -1.26 -4.95 135.00 134.96 1pro n PRO 9 Ca 0.12 -2.49 -0.36 0.00 -0.04 0.00 0.00 63.50 60.73 1pro n PRO 9 Cb 0.32 -3.39 -0.06 0.00 -0.04 0.00 0.00 33.50 30.33 1pro n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pro s LEU 10 N 5.52 4.40 0.06 1.53 1.43 -1.26 -0.76 118.68 129.60 1pro s LEU 10 Ca 0.59 0.73 0.03 0.00 -1.03 0.00 0.00 54.13 54.45 1pro s LEU 10 Cb 0.07 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 1pro s LEU 10 CO 0.09 0.27 -0.09 0.54 0.23 0.00 0.00 176.35 177.38 1pro s VAL 11 N -1.23 0.72 0.07 -1.59 0.11 -0.08 -4.92 120.40 113.47 1pro s VAL 11 Ca 0.26 -1.24 -0.29 0.00 -2.93 0.00 0.00 61.98 57.79 1pro s VAL 11 Cb -0.14 -0.85 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1pro s VAL 11 CO 0.14 -0.40 0.92 -0.89 -3.33 0.00 0.00 175.10 171.55 1pro s THR 12 N -1.60 4.64 0.15 5.04 2.01 -1.26 -0.80 115.64 123.81 1pro s THR 12 Ca -0.05 1.97 0.08 0.00 0.31 0.00 0.00 61.69 63.99 1pro s THR 12 Cb -0.08 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 1pro s THR 12 CO 0.00 0.29 -0.17 0.27 -0.69 0.00 0.00 174.62 174.33 1pro s ILE 13 N 0.22 1.66 -0.11 1.82 -4.36 -0.03 -1.15 121.20 119.24 1pro s ILE 13 Ca 0.46 -1.84 0.02 0.00 -0.26 0.00 0.00 60.65 59.03 1pro s ILE 13 Cb -0.22 -1.73 0.01 0.00 1.25 0.00 0.00 42.46 41.77 1pro s ILE 13 CO 0.28 -0.34 -0.16 -0.75 0.24 0.00 0.00 174.94 174.20 1pro s LYS 14 N -2.73 2.36 -0.08 0.37 2.20 -0.25 -1.47 119.74 120.15 1pro s LYS 14 Ca 0.13 -0.61 -0.04 0.00 -0.36 0.00 0.00 55.97 55.09 1pro s LYS 14 Cb -0.06 -1.99 0.04 0.00 -1.51 0.00 0.00 37.83 34.32 1pro s LYS 14 CO 0.05 -0.06 0.17 0.42 -0.36 0.00 0.00 175.35 175.58 1pro s ILE 15 N 0.97 -0.04 -1.52 5.43 1.09 -0.63 -1.01 121.20 125.47 1pro s ILE 15 Ca -0.06 0.16 -0.14 0.00 -1.10 0.00 0.00 60.65 59.51 1pro s ILE 15 Cb -0.15 -0.28 0.10 0.00 -1.06 0.00 0.00 42.46 41.07 1pro s ILE 15 CO -0.02 0.07 0.83 0.61 -0.10 0.00 0.00 174.94 176.33 1pro n GLY 16 N 4.16 -0.49 3.10 6.18 0.00 -1.26 -1.44 105.19 115.43 1pro n GLY 16 Ca -0.26 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1pro n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pro n GLY 17 N -1.52 1.43 3.66 -0.02 0.00 -1.26 -5.01 105.19 102.48 1pro n GLY 17 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1pro n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pro s GLN 18 N -0.06 2.52 -0.18 1.61 -0.21 -0.52 -5.11 119.66 117.70 1pro s GLN 18 Ca 0.00 -0.82 -0.08 0.00 0.02 0.00 0.00 55.36 54.48 1pro s GLN 18 Cb 0.00 -2.52 -0.04 0.00 1.00 0.00 0.00 33.01 31.45 1pro s GLN 18 CO 0.00 0.56 0.08 -0.51 -2.12 0.00 0.00 175.29 173.29 1pro s LEU 19 N -2.08 3.91 0.12 2.90 1.02 -1.26 -1.61 118.68 121.69 1pro s LEU 19 Ca 0.23 0.12 -0.03 0.00 0.02 0.00 0.00 54.13 54.47 1pro s LEU 19 Cb -0.11 -1.99 -0.03 0.00 0.02 0.00 0.00 46.19 44.07 1pro s LEU 19 CO 0.15 0.18 0.09 -0.54 0.02 0.00 0.00 176.35 176.26 1pro s LYS 20 N 0.32 0.91 -0.01 1.70 1.02 -0.54 -5.00 119.74 118.14 1pro s LYS 20 Ca 0.04 -1.32 0.03 0.00 0.02 0.00 0.00 55.97 54.74 1pro s LYS 20 Cb -0.12 0.27 -0.03 0.00 -0.52 0.00 0.00 37.83 37.43 1pro s LYS 20 CO -0.00 -0.27 -0.07 -1.21 -0.92 0.00 0.00 175.35 172.88 1pro s GLU 21 N -4.00 2.58 0.04 1.68 2.02 -1.26 -0.86 118.70 118.90 1pro s GLU 21 Ca 0.19 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 54.50 1pro s GLU 21 Cb 0.07 -2.51 -0.03 0.00 0.10 0.00 0.00 34.13 31.76 1pro s GLU 21 CO -0.01 0.61 -0.05 0.00 0.02 0.00 0.00 175.26 175.83 1pro s ALA 22 N -0.94 0.47 -0.00 5.21 0.00 0.01 -4.55 121.76 121.95 1pro s ALA 22 Ca 0.16 -0.86 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 1pro s ALA 22 Cb -0.11 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1pro s ALA 22 CO 0.06 -0.15 0.83 -0.51 0.00 0.00 0.00 175.76 175.99 1pro s LEU 23 N -1.96 4.38 -0.39 0.00 1.43 -0.21 -0.90 118.68 121.03 1pro s LEU 23 Ca -0.06 1.46 -0.28 0.00 -1.03 0.00 0.00 54.13 54.22 1pro s LEU 23 Cb -0.05 -3.33 0.02 0.00 0.03 0.00 0.00 46.19 42.86 1pro s LEU 23 CO -0.02 -0.13 1.03 -0.76 0.23 0.00 0.00 176.35 176.69 1pro s LEU 24 N 0.63 3.87 -0.31 1.79 1.02 0.06 -1.09 118.68 124.65 1pro s LEU 24 Ca 0.44 0.65 0.03 0.00 0.02 0.00 0.00 54.13 55.27 1pro s LEU 24 Cb -0.20 -3.42 0.09 0.00 0.02 0.00 0.00 46.19 42.68 1pro s LEU 24 CO 0.24 -0.99 0.00 -0.62 0.02 0.00 0.00 176.35 174.99 1pro s ASP 25 N 2.01 4.60 0.44 2.29 -1.08 -0.52 -4.78 116.67 119.63 1pro s ASP 25 Ca 0.43 -1.87 0.30 0.00 -0.52 0.00 0.00 52.55 50.89 1pro s ASP 25 Cb -0.10 -1.55 1.15 0.00 -1.46 0.00 0.00 42.92 40.96 1pro s ASP 25 CO 0.22 -0.32 1.87 0.71 0.52 0.00 0.00 175.17 178.17 1pro h THR 26 N 6.65 0.00 -0.00 1.71 1.35 -1.94 -2.80 112.91 117.88 1pro h THR 26 Ca -0.09 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1pro h THR 26 Cb 1.03 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1pro h THR 26 CO 0.50 0.00 -0.08 0.61 -0.25 0.00 0.00 175.52 176.29 1pro n GLY 27 N 0.17 -0.88 3.61 5.82 0.00 -1.26 -4.81 105.19 107.83 1pro n GLY 27 Ca 0.02 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1pro n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pro s ALA 28 N -2.38 3.52 0.30 4.61 0.00 -1.06 -4.98 121.76 121.77 1pro s ALA 28 Ca 0.32 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1pro s ALA 28 Cb 0.20 -2.35 0.48 0.00 0.00 0.00 0.00 23.12 21.45 1pro s ALA 28 CO 0.45 -0.36 1.74 -0.44 0.00 0.00 0.00 175.76 177.14 1pro h ASP 29 N 7.93 0.34 -2.02 0.00 3.32 -1.87 0.43 116.42 124.55 1pro h ASP 29 Ca -0.37 -0.12 -0.60 0.00 0.02 0.00 0.00 57.03 55.96 1pro h ASP 29 Cb 1.18 -0.09 -0.13 0.00 0.22 0.00 0.00 39.33 40.50 1pro h ASP 29 CO 0.60 0.64 -0.66 -1.81 -1.72 0.00 0.00 179.24 176.30 1pro s ASP 30 N -6.85 3.63 -0.19 6.45 1.01 -1.26 -2.42 116.67 117.04 1pro s ASP 30 Ca -0.06 -1.24 -0.13 0.00 0.71 0.00 0.00 52.55 51.83 1pro s ASP 30 Cb 0.14 -0.33 -0.05 0.00 1.01 0.00 0.00 42.92 43.69 1pro s ASP 30 CO 0.77 -0.28 0.28 -0.89 0.21 0.00 0.00 175.17 175.26 1pro s THR 31 N -2.69 5.30 -0.05 -1.27 2.01 -1.26 -2.76 115.64 114.92 1pro s THR 31 Ca 0.33 0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.82 1pro s THR 31 Cb 0.04 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.96 1pro s THR 31 CO 0.16 0.36 -0.04 0.54 -0.69 0.00 0.00 174.62 174.95 1pro s VAL 32 N 0.75 0.52 0.14 3.82 0.11 -0.69 -1.28 120.40 123.78 1pro s VAL 32 Ca 0.15 -0.10 0.10 0.00 -2.93 0.00 0.00 61.98 59.20 1pro s VAL 32 Cb -0.13 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1pro s VAL 32 CO 0.04 0.23 -0.23 -0.76 -3.33 0.00 0.00 175.10 171.05 1pro s LEU 33 N 1.04 2.35 1.00 2.54 1.43 0.35 -0.62 118.68 126.77 1pro s LEU 33 Ca -0.09 -0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 1pro s LEU 33 Cb -0.14 -1.05 0.20 0.00 0.03 0.00 0.00 46.19 45.23 1pro s LEU 33 CO -0.01 0.10 1.10 -1.83 0.23 0.00 0.00 176.35 175.94 1pro s GLU 34 N -2.22 0.32 0.14 1.70 -1.05 -1.26 -0.96 118.70 115.37 1pro s GLU 34 Ca 0.13 1.26 -0.33 0.00 -0.15 0.00 0.00 54.97 55.88 1pro s GLU 34 Cb -0.09 -1.67 -0.13 0.00 -0.44 0.00 0.00 34.13 31.80 1pro s GLU 34 CO 0.06 -3.02 1.67 -1.91 0.95 0.00 0.00 175.26 173.01 1pro n GLU 35 N -4.47 2.35 -3.75 -4.83 4.07 -1.12 -4.43 120.64 108.46 1pro n GLU 35 Ca 0.08 0.85 -0.10 0.00 -0.06 0.00 0.00 57.16 57.94 1pro n GLU 35 Cb 0.53 -2.66 -0.05 0.00 -0.06 0.00 0.00 31.44 29.20 1pro n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1pro s MET 36 N 1.49 1.13 0.07 5.31 0.23 -1.26 -5.02 119.30 121.26 1pro s MET 36 Ca 0.80 -0.87 -0.31 0.00 -1.03 0.00 0.00 55.69 54.28 1pro s MET 36 Cb -0.62 0.45 -0.07 0.00 -1.53 0.00 0.00 34.83 33.06 1pro s MET 36 CO 0.38 -0.44 1.39 1.21 -2.03 0.00 0.00 175.02 175.53 1pro s ASN 37 N -2.86 6.84 -0.15 -1.18 3.04 -1.26 -5.01 114.94 114.36 1pro s ASN 37 Ca 0.07 2.25 -0.11 0.00 0.04 0.00 0.00 52.86 55.11 1pro s ASN 37 Cb 0.02 -2.58 0.05 0.00 -1.54 0.00 0.00 41.25 37.20 1pro s ASN 37 CO -0.07 -0.67 0.38 -0.22 -3.04 0.00 0.00 177.10 173.48 1pro s LEU 38 N 1.56 0.29 0.14 3.21 2.96 -1.26 -4.98 118.68 120.61 1pro s LEU 38 Ca 0.64 0.79 -0.30 0.00 -0.22 0.00 0.00 54.13 55.05 1pro s LEU 38 Cb -0.35 1.28 -0.07 0.00 0.50 0.00 0.00 46.19 47.55 1pro s LEU 38 CO 0.29 -0.16 1.00 -2.16 -1.32 0.00 0.00 176.35 174.00 1pro s PRO 39 N 0.74 4.69 0.00 0.98 0.04 -1.26 -4.98 135.00 135.21 1pro s PRO 39 Ca -0.04 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1pro s PRO 39 Cb -0.05 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1pro s PRO 39 CO -0.05 0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.60 1pro n GLY 40 N 2.13 0.54 3.92 0.56 0.00 -1.26 -5.05 105.19 106.04 1pro n GLY 40 Ca 0.02 -2.16 -0.26 0.00 0.00 0.00 0.00 46.02 43.62 1pro n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pro s ARG 41 N -0.70 3.47 0.10 1.61 3.00 -1.26 -5.12 118.95 120.05 1pro s ARG 41 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 55.73 55.49 1pro s ARG 41 Cb 0.00 -2.48 0.05 0.00 0.00 0.00 0.00 34.95 32.52 1pro s ARG 41 CO 0.00 -0.11 0.51 1.67 0.00 0.00 0.00 175.30 177.37 1pro s TRP 42 N -2.60 -0.40 -0.11 -0.53 1.48 -1.26 -4.65 118.94 110.88 1pro s TRP 42 Ca 0.45 0.28 0.01 0.00 -1.06 0.00 0.00 56.10 55.78 1pro s TRP 42 Cb -0.10 0.38 -0.02 0.00 -1.16 0.00 0.00 33.47 32.57 1pro s TRP 42 CO 0.42 -0.72 -0.12 0.15 -4.06 0.00 0.00 176.95 172.61 1pro s LYS 43 N -3.18 3.16 0.38 3.25 3.01 -0.62 -4.88 119.74 120.85 1pro s LYS 43 Ca -0.01 -0.67 -0.27 0.00 -1.01 0.00 0.00 55.97 54.00 1pro s LYS 43 Cb -0.00 -2.59 -0.10 0.00 -1.01 0.00 0.00 37.83 34.13 1pro s LYS 43 CO -0.08 0.34 1.38 -1.25 0.51 0.00 0.00 175.35 176.25 1pro s PRO 44 N 0.03 4.11 0.21 -1.68 0.04 -1.26 -0.38 135.00 136.07 1pro s PRO 44 Ca -0.04 2.34 -0.09 0.00 0.04 0.00 0.00 61.00 63.24 1pro s PRO 44 Cb -0.14 -2.92 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 1pro s PRO 44 CO 0.04 -0.44 0.35 0.21 0.04 0.00 0.00 177.00 177.20 1pro s LYS 45 N -2.07 1.36 -0.01 4.56 2.20 -0.34 -4.88 119.74 120.56 1pro s LYS 45 Ca 0.53 -1.30 0.04 0.00 -0.36 0.00 0.00 55.97 54.88 1pro s LYS 45 Cb -0.42 0.40 -0.01 0.00 -1.51 0.00 0.00 37.83 36.29 1pro s LYS 45 CO 0.56 -0.52 -0.12 -1.64 -0.36 0.00 0.00 175.35 173.26 1pro s MET 46 N -4.03 0.95 0.14 4.03 -1.94 -1.26 -0.42 119.30 116.77 1pro s MET 46 Ca 0.24 -0.44 0.11 0.00 -1.71 0.00 0.00 55.69 53.89 1pro s MET 46 Cb 0.02 -0.92 -0.04 0.00 2.01 0.00 0.00 34.83 35.90 1pro s MET 46 CO 0.07 0.25 -0.27 0.96 -0.01 0.00 0.00 175.02 176.02 1pro s ILE 47 N -0.32 2.27 -0.12 2.53 -4.36 -0.33 -4.94 121.20 115.93 1pro s ILE 47 Ca 0.04 -1.80 -0.04 0.00 -0.26 0.00 0.00 60.65 58.59 1pro s ILE 47 Cb -0.05 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.61 1pro s ILE 47 CO -0.00 0.06 0.03 -0.83 0.24 0.00 0.00 174.94 174.44 1pro s GLY 48 N -2.14 1.90 0.00 6.27 0.00 -1.26 -1.25 107.32 110.83 1pro s GLY 48 Ca 0.15 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1pro s GLY 48 CO 0.07 -0.34 0.00 0.61 0.00 0.00 0.00 173.10 173.43 1pro n GLY 49 N 2.59 4.48 0.29 0.20 0.00 0.11 -4.99 105.19 107.87 1pro n GLY 49 Ca -0.18 -1.79 -0.05 0.00 0.00 0.00 0.00 46.02 43.99 1pro n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1pro h ILE 50 N 0.80 1.21 -0.09 -0.61 2.10 -2.03 -2.82 117.51 116.06 1pro h ILE 50 Ca 0.00 -0.45 0.00 0.00 1.08 0.00 0.00 64.86 65.49 1pro h ILE 50 Cb 0.00 0.19 0.00 0.00 -1.09 0.00 0.00 36.82 35.92 1pro h ILE 50 CO 0.00 0.21 0.00 0.61 -1.08 0.00 0.00 178.15 177.89 1pro n GLY 51 N -1.19 0.55 0.00 8.18 0.00 -1.26 -5.05 105.19 106.42 1pro n GLY 51 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1pro n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pro n GLY 52 N 1.26 0.59 3.56 -0.02 0.00 -1.06 -5.12 105.19 104.39 1pro n GLY 52 Ca 0.17 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 1pro n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pro s PHE 53 N -3.73 2.74 0.09 1.61 0.40 -1.26 0.04 117.98 117.86 1pro s PHE 53 Ca 0.00 -0.15 0.06 0.00 -0.60 0.00 0.00 56.93 56.24 1pro s PHE 53 Cb 0.00 -1.47 -0.03 0.00 0.51 0.00 0.00 43.02 42.02 1pro s PHE 53 CO 0.00 0.38 -0.15 0.96 0.70 0.00 0.00 175.22 177.12 1pro s ILE 54 N -1.12 1.23 -0.07 0.64 -4.36 -0.38 -4.95 121.20 112.19 1pro s ILE 54 Ca 0.19 -1.44 -0.18 0.00 -0.26 0.00 0.00 60.65 58.97 1pro s ILE 54 Cb -0.11 -1.24 -0.05 0.00 1.25 0.00 0.00 42.46 42.31 1pro s ILE 54 CO 0.11 -0.26 0.47 -0.54 0.24 0.00 0.00 174.94 174.96 1pro s LYS 55 N -2.00 4.23 0.29 0.37 1.02 -1.26 -1.19 119.74 121.19 1pro s LYS 55 Ca 0.02 0.47 0.03 0.00 0.02 0.00 0.00 55.97 56.51 1pro s LYS 55 Cb -0.09 -3.37 -0.06 0.00 -0.52 0.00 0.00 37.83 33.80 1pro s LYS 55 CO 0.03 0.33 0.05 0.14 -0.92 0.00 0.00 175.35 174.98 1pro s VAL 56 N 0.04 1.02 -0.17 3.17 -7.23 0.44 -4.50 120.40 113.17 1pro s VAL 56 Ca 0.26 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.36 1pro s VAL 56 Cb -0.16 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 1pro s VAL 56 CO 0.12 -0.08 0.02 -0.13 -0.31 0.00 0.00 175.10 174.71 1pro s ARG 57 N -3.92 3.82 -0.20 4.82 0.52 0.01 -1.20 118.95 122.81 1pro s ARG 57 Ca 0.35 -0.43 -0.14 0.00 -0.52 0.00 0.00 55.73 54.99 1pro s ARG 57 Cb 0.08 -3.08 -0.04 0.00 0.52 0.00 0.00 34.95 32.43 1pro s ARG 57 CO 0.13 0.24 0.33 -1.14 0.02 0.00 0.00 175.30 174.88 1pro s GLN 58 N 0.41 4.17 -0.12 3.54 0.74 0.49 -0.92 119.66 127.97 1pro s GLN 58 Ca -0.00 0.08 0.02 0.00 0.05 0.00 0.00 55.36 55.51 1pro s GLN 58 Cb -0.13 -3.52 -0.00 0.00 1.10 0.00 0.00 33.01 30.46 1pro s GLN 58 CO 0.02 0.04 -0.20 0.71 -0.55 0.00 0.00 175.29 175.30 1pro s TYR 59 N 1.10 2.66 0.18 1.67 1.51 0.31 -1.60 117.35 123.18 1pro s TYR 59 Ca 0.16 -1.00 0.04 0.00 -1.01 0.00 0.00 57.07 55.26 1pro s TYR 59 Cb -0.14 -1.78 -0.03 0.00 -0.11 0.00 0.00 41.96 39.90 1pro s TYR 59 CO 0.06 -0.41 0.26 -0.51 -1.11 0.00 0.00 175.55 173.85 1pro s ASP 60 N 0.47 6.06 -1.40 2.29 1.01 -1.26 -1.29 116.67 122.55 1pro s ASP 60 Ca -0.14 0.03 -0.05 0.00 0.71 0.00 0.00 52.55 53.11 1pro s ASP 60 Cb -0.17 -1.74 0.03 0.00 1.01 0.00 0.00 42.92 42.05 1pro s ASP 60 CO 0.06 0.02 0.76 0.00 0.21 0.00 0.00 175.17 176.22 1pro n GLN 61 N -0.77 -4.91 -3.48 8.23 1.13 -1.12 -4.93 117.38 111.53 1pro n GLN 61 Ca -0.08 0.58 -0.37 0.00 -1.94 0.00 0.00 57.00 55.19 1pro n GLN 61 Cb 0.55 -5.21 -0.06 0.00 0.11 0.00 0.00 30.24 25.63 1pro n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1pro s ILE 62 N -3.57 5.21 0.02 5.09 -1.09 -0.10 -4.78 121.20 121.98 1pro s ILE 62 Ca 0.24 0.72 -0.27 0.00 -2.23 0.00 0.00 60.65 59.11 1pro s ILE 62 Cb -0.12 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.02 1pro s ILE 62 CO 0.83 0.43 0.83 -0.22 -1.23 0.00 0.00 174.94 175.58 1pro s LEU 63 N 0.04 4.41 -0.02 2.97 2.96 -1.26 -1.75 118.68 126.03 1pro s LEU 63 Ca 0.21 1.50 0.01 0.00 -0.22 0.00 0.00 54.13 55.62 1pro s LEU 63 Cb -0.14 -3.33 0.01 0.00 0.50 0.00 0.00 46.19 43.23 1pro s LEU 63 CO 0.08 -0.08 -0.02 -0.51 -1.32 0.00 0.00 176.35 174.50 1pro s ILE 64 N 0.35 0.28 -0.25 6.68 2.07 -0.27 -4.38 121.20 125.67 1pro s ILE 64 Ca 0.42 -0.04 -0.09 0.00 -1.41 0.00 0.00 60.65 59.53 1pro s ILE 64 Cb -0.20 -0.31 -0.04 0.00 0.13 0.00 0.00 42.46 42.04 1pro s ILE 64 CO 0.24 0.13 0.12 -0.70 -1.91 0.00 0.00 174.94 172.83 1pro s GLU 65 N 0.56 3.85 -0.24 3.50 2.12 -0.18 -1.09 118.70 127.22 1pro s GLU 65 Ca -0.06 -0.38 0.02 0.00 0.36 0.00 0.00 54.97 54.91 1pro s GLU 65 Cb -0.09 -3.46 0.05 0.00 0.26 0.00 0.00 34.13 30.89 1pro s GLU 65 CO -0.01 -0.10 -0.11 0.42 -0.54 0.00 0.00 175.26 174.92 1pro s ILE 66 N 1.46 2.04 -1.44 -3.70 1.01 0.10 -1.09 121.20 119.58 1pro s ILE 66 Ca 0.06 -1.47 -0.02 0.00 0.00 0.00 0.00 60.65 59.22 1pro s ILE 66 Cb -0.15 -2.13 0.02 0.00 0.01 0.00 0.00 42.46 40.21 1pro s ILE 66 CO 0.06 0.04 0.47 0.00 0.00 0.00 0.00 174.94 175.51 1pro n GLY 68 N -1.92 0.79 3.32 0.00 0.00 -1.26 -5.00 105.19 101.12 1pro n GLY 68 Ca -0.26 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 1pro n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pro s HIS 69 N -2.02 2.79 0.14 1.61 4.02 -0.55 -5.12 115.29 116.16 1pro s HIS 69 Ca 0.00 -0.82 -0.16 0.00 1.02 0.00 0.00 55.06 55.10 1pro s HIS 69 Cb 0.00 -1.86 -0.07 0.00 -1.02 0.00 0.00 32.58 29.63 1pro s HIS 69 CO 0.00 -0.33 0.58 0.15 1.02 0.00 0.00 174.74 176.16 1pro s LYS 70 N 0.56 4.07 0.05 1.40 1.02 -1.26 0.00 119.74 125.58 1pro s LYS 70 Ca -0.09 0.60 -0.08 0.00 0.02 0.00 0.00 55.97 56.43 1pro s LYS 70 Cb -0.16 -3.01 -0.00 0.00 -0.52 0.00 0.00 37.83 34.14 1pro s LYS 70 CO 0.04 0.51 0.16 0.00 -0.92 0.00 0.00 175.35 175.14 1pro s ALA 71 N -1.38 -0.21 -0.04 5.17 0.00 -0.25 -4.91 121.76 120.14 1pro s ALA 71 Ca 0.36 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.86 1pro s ALA 71 Cb -0.16 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.29 1pro s ALA 71 CO 0.19 -0.38 -0.05 0.42 0.00 0.00 0.00 175.76 175.94 1pro s ILE 72 N -2.94 0.54 0.01 0.00 1.01 -1.26 -1.12 121.20 117.44 1pro s ILE 72 Ca -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.46 1pro s ILE 72 Cb 0.01 -0.55 0.00 0.00 0.01 0.00 0.00 42.46 41.94 1pro s ILE 72 CO -0.06 0.21 0.07 0.61 0.00 0.00 0.00 174.94 175.77 1pro n GLY 73 N 3.87 0.96 3.72 6.18 0.00 -0.72 -4.88 105.19 114.32 1pro n GLY 73 Ca -0.24 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 1pro n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pro s THR 74 N -2.36 4.64 -0.05 2.61 2.01 -1.26 -0.93 115.64 120.30 1pro s THR 74 Ca 0.02 2.04 0.04 0.00 0.31 0.00 0.00 61.69 64.09 1pro s THR 74 Cb -0.00 -4.30 -0.00 0.00 0.01 0.00 0.00 72.50 68.20 1pro s THR 74 CO 0.00 0.24 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.31 1pro s VAL 75 N 0.48 1.48 -0.14 3.82 1.01 -0.41 -4.51 120.40 122.12 1pro s VAL 75 Ca 0.50 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 1pro s VAL 75 Cb -0.23 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1pro s VAL 75 CO 0.29 0.43 0.02 -0.76 0.00 0.00 0.00 175.10 175.08 1pro s LEU 76 N 0.13 3.65 -0.06 3.92 1.43 -0.40 -0.53 118.68 126.81 1pro s LEU 76 Ca -0.06 0.08 0.06 0.00 -1.03 0.00 0.00 54.13 53.18 1pro s LEU 76 Cb -0.13 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1pro s LEU 76 CO 0.03 0.26 -0.24 -0.69 0.23 0.00 0.00 176.35 175.94 1pro s VAL 77 N -0.17 2.17 -1.03 -1.59 1.01 -0.10 -0.50 120.40 120.19 1pro s VAL 77 Ca 0.06 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1pro s VAL 77 Cb -0.12 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1pro s VAL 77 CO 0.02 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1pro n GLY 78 N 2.90 -0.82 2.29 4.51 0.00 -0.14 -0.81 105.19 113.13 1pro n GLY 78 Ca -0.17 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 1pro n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pro n PRO 79 N 0.00 3.51 -3.00 1.61 -0.04 -1.26 -2.79 135.00 133.02 1pro n PRO 79 Ca 0.00 -2.20 -0.33 0.00 -0.04 0.00 0.00 63.50 60.93 1pro n PRO 79 Cb 0.00 -2.61 -0.06 0.00 -0.04 0.00 0.00 33.50 30.78 1pro n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1pro s THR 80 N 1.28 4.54 0.01 0.52 -1.32 -1.26 -4.99 115.64 114.42 1pro s THR 80 Ca 0.67 1.22 0.31 0.00 -1.21 0.00 0.00 61.69 62.68 1pro s THR 80 Cb 0.21 -3.66 0.37 0.00 -1.51 0.00 0.00 72.50 67.91 1pro s THR 80 CO -0.06 -0.17 1.90 1.55 -2.21 0.00 0.00 174.62 175.64 1pro h PRO 81 N 2.32 0.00 -4.20 7.08 0.13 -1.98 -3.42 132.00 131.92 1pro h PRO 81 Ca -0.48 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.43 1pro h PRO 81 Cb 1.18 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.09 1pro h PRO 81 CO 0.64 0.03 -0.72 0.14 -0.23 0.00 0.00 178.00 177.86 1pro s VAL 82 N -3.59 0.28 -0.01 1.56 -7.23 -1.26 -5.06 120.40 105.10 1pro s VAL 82 Ca 0.02 -0.90 -0.30 0.00 -1.81 0.00 0.00 61.98 58.99 1pro s VAL 82 Cb 0.08 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.60 1pro s VAL 82 CO 0.57 -0.40 1.08 0.20 -0.31 0.00 0.00 175.10 176.24 1pro s ASN 83 N -1.38 7.23 -0.12 4.85 0.01 -1.26 -4.60 114.94 119.66 1pro s ASN 83 Ca -0.12 1.76 0.03 0.00 -0.71 0.00 0.00 52.86 53.82 1pro s ASN 83 Cb -0.09 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.01 1pro s ASN 83 CO -0.00 -0.39 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.35 1pro s ILE 84 N 1.34 1.97 -0.37 0.60 1.01 0.21 -1.04 121.20 124.91 1pro s ILE 84 Ca 0.54 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 60.12 1pro s ILE 84 Cb -0.23 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.51 1pro s ILE 84 CO 0.26 0.54 0.24 -0.63 0.00 0.00 0.00 174.94 175.35 1pro s ILE 85 N 0.71 4.95 0.00 2.92 -1.09 -0.25 -1.70 121.20 126.73 1pro s ILE 85 Ca -0.10 -0.63 0.00 0.00 -2.23 0.00 0.00 60.65 57.69 1pro s ILE 85 Cb -0.16 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1pro s ILE 85 CO 0.01 -0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.14 1pro n GLY 86 N 5.07 1.78 0.19 6.18 0.00 -1.11 -1.45 105.19 115.86 1pro n GLY 86 Ca -0.12 -2.11 0.03 0.00 0.00 0.00 0.00 46.02 43.83 1pro n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pro h ARG 87 N 0.00 0.00 -0.94 1.61 3.08 -0.85 -1.07 114.38 116.21 1pro h ARG 87 Ca 0.00 -0.00 0.23 0.00 0.07 0.00 0.00 59.98 60.28 1pro h ARG 87 Cb 0.00 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 1pro h ARG 87 CO 0.00 0.33 0.63 -2.95 -1.07 0.00 0.00 179.97 176.91 1pro h ASN 88 N 0.00 0.33 0.00 7.04 -1.07 -1.75 -2.11 115.58 118.02 1pro h ASN 88 Ca -0.00 0.04 -0.22 0.00 0.07 0.00 0.00 56.30 56.19 1pro h ASN 88 Cb 0.58 -0.02 -0.04 0.00 -2.07 0.00 0.00 38.32 36.77 1pro h ASN 88 CO 0.04 0.11 -2.15 0.18 0.07 0.00 0.00 177.43 175.69 1pro n LEU 89 N -4.48 0.00 -0.02 6.14 4.77 -0.87 -4.34 117.00 118.20 1pro n LEU 89 Ca 0.21 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.20 1pro n LEU 89 Cb 0.80 0.30 0.34 0.00 -2.33 0.00 0.00 43.42 42.53 1pro n LEU 89 CO 0.31 0.30 1.06 -0.07 -1.33 0.00 0.00 177.39 177.66 1pro h LEU 90 N 0.00 0.52 -1.40 2.23 3.38 -0.64 -0.60 115.31 118.80 1pro h LEU 90 Ca -0.33 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 1pro h LEU 90 Cb 1.72 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 1pro h LEU 90 CO 0.02 0.48 -0.25 0.71 0.09 0.00 0.00 178.44 179.49 1pro h THR 91 N 0.58 0.79 -0.01 0.22 1.35 -1.61 -1.95 112.91 112.26 1pro h THR 91 Ca 0.14 -1.03 -0.16 0.00 -0.55 0.00 0.00 66.41 64.82 1pro h THR 91 Cb 0.13 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.16 1pro h THR 91 CO -0.01 0.25 -0.71 1.56 -0.25 0.00 0.00 175.52 176.35 1pro h GLN 92 N 0.00 0.07 -0.36 4.72 4.20 -1.31 -2.77 115.11 119.67 1pro h GLN 92 Ca -0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1pro h GLN 92 Cb 0.61 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1pro h GLN 92 CO 0.03 0.75 0.00 0.44 -0.67 0.00 0.00 178.83 179.39 1pro n ILE 93 N -3.73 0.47 -2.77 2.54 -5.35 -1.07 -4.94 119.36 104.52 1pro n ILE 93 Ca -0.02 -0.56 -0.10 0.00 -0.27 0.00 0.00 62.75 61.80 1pro n ILE 93 Cb 0.69 0.45 0.02 0.00 -1.74 0.00 0.00 39.64 39.07 1pro n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pro n GLY 94 N 1.26 0.21 3.76 3.28 0.00 -1.05 -5.02 105.19 107.63 1pro n GLY 94 Ca 0.17 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1pro n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pro s THR 96 N -0.53 1.50 -0.11 0.00 -4.23 -1.26 -4.73 115.64 106.28 1pro s THR 96 Ca 0.38 -2.13 -0.03 0.00 -1.18 0.00 0.00 61.69 58.73 1pro s THR 96 Cb -0.22 -1.94 -0.03 0.00 1.34 0.00 0.00 72.50 71.65 1pro s THR 96 CO 0.25 -0.64 0.01 -0.22 -0.54 0.00 0.00 174.62 173.47 1pro s LEU 97 N -3.21 3.57 -0.00 4.79 2.96 -1.26 -5.09 118.68 120.43 1pro s LEU 97 Ca 0.19 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 1pro s LEU 97 Cb 0.00 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 44.86 1pro s LEU 97 CO 0.04 0.31 -0.02 0.20 -1.32 0.00 0.00 176.35 175.57 1pro s ASN 98 N -0.50 0.22 0.00 3.68 0.01 -1.26 -5.29 114.94 111.80 1pro s ASN 98 Ca 0.09 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.21 1pro s ASN 98 Cb -0.12 -0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.51 1pro s ASN 98 CO 0.02 0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.85