#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1idb s GLN 2 N 0.00 0.88 -0.22 -0.52 0.74 -1.26 -5.09 119.66 114.19 1idb s GLN 2 Ca 0.00 -0.13 -0.03 0.00 0.05 0.00 0.00 55.36 55.25 1idb s GLN 2 Cb 0.00 -0.87 -0.00 0.00 1.10 0.00 0.00 33.01 33.23 1idb s GLN 2 CO 0.00 -0.07 -0.06 -0.06 -0.55 0.00 0.00 175.29 174.54 1idb s PHE 3 N 0.89 2.94 0.60 1.67 0.40 -1.26 -5.10 117.98 118.12 1idb s PHE 3 Ca -0.11 -1.05 -0.13 0.00 -0.60 0.00 0.00 56.93 55.04 1idb s PHE 3 Cb -0.14 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 1idb s PHE 3 CO 0.00 -0.59 1.03 -1.54 0.70 0.00 0.00 175.22 174.82 1idb s SER 4 N 1.45 6.17 -0.44 1.36 1.04 -1.26 -4.95 113.70 117.08 1idb s SER 4 Ca 0.06 1.51 0.03 0.00 0.48 0.00 0.00 55.95 58.03 1idb s SER 4 Cb -0.14 -2.49 0.56 0.00 0.10 0.00 0.00 66.02 64.06 1idb s SER 4 CO -0.05 -0.91 1.86 0.18 0.98 0.00 0.00 173.24 175.31 1idb n LEU 5 N -2.47 6.55 -0.09 2.42 4.77 -1.26 -4.27 117.00 122.65 1idb n LEU 5 Ca 0.07 -3.51 -0.13 0.00 -0.03 0.00 0.00 56.01 52.40 1idb n LEU 5 Cb 0.54 -0.84 -0.05 0.00 -2.33 0.00 0.00 43.42 40.74 1idb n LEU 5 CO 0.54 1.07 0.55 -0.25 -1.33 0.00 0.00 177.39 177.97 1idb h TRP 6 N 1.07 0.81 -2.07 -1.77 2.91 -2.05 -3.43 115.95 111.42 1idb h TRP 6 Ca 0.57 -0.25 -0.48 0.00 1.13 0.00 0.00 58.89 59.86 1idb h TRP 6 Cb 2.36 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 30.81 1idb h TRP 6 CO 1.41 0.99 -0.46 0.15 -1.03 0.00 0.00 178.44 179.51 1idb s LYS 7 N -4.31 3.07 0.34 2.65 -0.14 -1.26 -5.09 119.74 115.01 1idb s LYS 7 Ca -0.12 -1.00 -0.29 0.00 -1.36 0.00 0.00 55.97 53.20 1idb s LYS 7 Cb 0.08 -2.68 -0.11 0.00 -1.68 0.00 0.00 37.83 33.44 1idb s LYS 7 CO 0.83 0.30 1.40 1.03 -0.76 0.00 0.00 175.35 178.15 1idb s ARG 8 N -3.96 4.24 -1.27 1.68 0.52 -1.26 -4.90 118.95 114.00 1idb s ARG 8 Ca 0.36 2.38 -0.15 0.00 -0.52 0.00 0.00 55.73 57.80 1idb s ARG 8 Cb -0.08 -3.03 0.12 0.00 0.52 0.00 0.00 34.95 32.48 1idb s ARG 8 CO 0.27 -0.37 1.63 -0.35 0.02 0.00 0.00 175.30 176.51 1idb n PRO 9 N 0.88 3.28 -3.95 3.54 -0.04 -1.26 -4.95 135.00 132.50 1idb n PRO 9 Ca 0.01 -3.52 -0.35 0.00 -0.04 0.00 0.00 63.50 59.61 1idb n PRO 9 Cb 0.40 -3.26 -0.09 0.00 -0.04 0.00 0.00 33.50 30.52 1idb n PRO 9 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1idb s VAL 10 N 2.81 4.99 0.25 0.52 1.01 -1.26 -1.14 120.40 127.58 1idb s VAL 10 Ca 0.48 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.51 1idb s VAL 10 Cb 0.02 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1idb s VAL 10 CO 0.03 0.49 0.12 0.68 0.00 0.00 0.00 175.10 176.42 1idb s VAL 11 N 0.09 0.38 -0.21 2.92 -7.23 -0.20 -4.93 120.40 111.21 1idb s VAL 11 Ca 0.06 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.11 1idb s VAL 11 Cb -0.12 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.19 1idb s VAL 11 CO 0.00 0.00 0.24 -0.89 -0.31 0.00 0.00 175.10 174.14 1idb s THR 12 N -3.82 5.32 0.23 5.32 2.01 -1.26 0.02 115.64 123.45 1idb s THR 12 Ca 0.38 0.38 0.11 0.00 0.31 0.00 0.00 61.69 62.87 1idb s THR 12 Cb 0.07 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 1idb s THR 12 CO 0.14 0.34 -0.22 0.00 -0.69 0.00 0.00 174.62 174.19 1idb s ALA 13 N 0.92 2.60 -0.22 7.40 0.00 -0.84 -4.50 121.76 127.11 1idb s ALA 13 Ca 0.12 -1.74 -0.04 0.00 0.00 0.00 0.00 51.96 50.30 1idb s ALA 13 Cb -0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1idb s ALA 13 CO 0.04 0.35 -0.03 0.71 0.00 0.00 0.00 175.76 176.83 1idb s TYR 14 N -2.08 2.97 -0.36 0.00 1.51 0.31 -1.56 117.35 118.14 1idb s TYR 14 Ca 0.25 -0.89 -0.06 0.00 -1.01 0.00 0.00 57.07 55.35 1idb s TYR 14 Cb -0.06 -2.12 0.05 0.00 -0.11 0.00 0.00 41.96 39.72 1idb s TYR 14 CO 0.12 -0.53 0.14 0.42 -1.11 0.00 0.00 175.55 174.58 1idb s ILE 15 N 1.49 3.78 -1.39 2.71 1.01 0.10 -0.92 121.20 127.98 1idb s ILE 15 Ca 0.06 -1.28 -0.05 0.00 0.00 0.00 0.00 60.65 59.38 1idb s ILE 15 Cb -0.14 -3.21 0.03 0.00 0.01 0.00 0.00 42.46 39.15 1idb s ILE 15 CO -0.03 -0.28 0.81 -0.62 0.00 0.00 0.00 174.94 174.82 1idb n GLU 16 N 4.80 -5.19 0.00 2.79 -0.58 0.96 -1.69 120.64 121.73 1idb n GLU 16 Ca -0.11 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 1idb n GLU 16 Cb 0.44 -5.30 0.00 0.00 -0.57 0.00 0.00 31.44 26.01 1idb n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1idb n GLY 17 N -1.64 2.99 3.68 0.62 0.00 -1.26 -5.03 105.19 104.55 1idb n GLY 17 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1idb n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1idb s GLN 18 N -0.20 4.35 0.10 1.61 -0.21 -0.68 -4.95 119.66 119.69 1idb s GLN 18 Ca 0.00 1.02 -0.30 0.00 0.02 0.00 0.00 55.36 56.09 1idb s GLN 18 Cb 0.00 -3.54 -0.06 0.00 1.00 0.00 0.00 33.01 30.41 1idb s GLN 18 CO 0.00 -0.21 1.11 -1.25 -2.12 0.00 0.00 175.29 172.82 1idb s PRO 19 N 1.74 4.53 0.02 2.91 0.04 -1.26 -0.72 135.00 142.26 1idb s PRO 19 Ca 0.39 1.68 -0.01 0.00 0.04 0.00 0.00 61.00 63.10 1idb s PRO 19 Cb -0.17 -3.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.01 1idb s PRO 19 CO 0.15 -0.06 -0.00 0.08 0.04 0.00 0.00 177.00 177.21 1idb s VAL 20 N 0.45 0.12 -0.19 -0.36 1.01 -0.60 -4.99 120.40 115.84 1idb s VAL 20 Ca 0.53 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 1idb s VAL 20 Cb -0.28 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1idb s VAL 20 CO 0.31 -0.53 0.35 -0.70 0.00 0.00 0.00 175.10 174.53 1idb s GLU 21 N -1.74 4.19 0.20 2.72 2.56 -1.26 -1.99 118.70 123.39 1idb s GLU 21 Ca -0.13 0.14 0.07 0.00 0.00 0.00 0.00 54.97 55.05 1idb s GLU 21 Cb -0.08 -3.51 -0.05 0.00 2.00 0.00 0.00 34.13 32.50 1idb s GLU 21 CO -0.02 0.05 -0.14 0.14 -0.56 0.00 0.00 175.26 174.73 1idb s VAL 22 N 1.05 1.67 -0.19 3.70 -7.23 0.10 -4.39 120.40 115.11 1idb s VAL 22 Ca 0.18 -2.19 -0.08 0.00 -1.81 0.00 0.00 61.98 58.07 1idb s VAL 22 Cb -0.14 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 1idb s VAL 22 CO 0.07 -0.61 0.07 -0.22 -0.31 0.00 0.00 175.10 174.10 1idb s LEU 23 N -3.30 3.80 -0.48 1.32 2.96 0.13 -1.04 118.68 122.07 1idb s LEU 23 Ca 0.22 0.05 -0.27 0.00 -0.22 0.00 0.00 54.13 53.92 1idb s LEU 23 Cb -0.00 -1.97 0.03 0.00 0.50 0.00 0.00 46.19 44.75 1idb s LEU 23 CO 0.06 0.14 1.00 -0.76 -1.32 0.00 0.00 176.35 175.48 1idb s LEU 24 N 0.55 3.88 -0.32 -0.68 1.43 -0.29 -1.77 118.68 121.49 1idb s LEU 24 Ca 0.04 0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1idb s LEU 24 Cb -0.13 -3.28 0.08 0.00 0.03 0.00 0.00 46.19 42.89 1idb s LEU 24 CO 0.01 -1.14 0.01 -0.62 0.23 0.00 0.00 176.35 174.84 1idb s ASP 25 N 2.38 4.72 0.06 2.29 -1.08 -0.50 -4.75 116.67 119.79 1idb s ASP 25 Ca 0.40 -1.81 0.20 0.00 -0.52 0.00 0.00 52.55 50.82 1idb s ASP 25 Cb -0.09 -1.63 0.82 0.00 -1.46 0.00 0.00 42.92 40.56 1idb s ASP 25 CO 0.28 -0.32 1.62 0.35 0.52 0.00 0.00 175.17 177.62 1idb n THR 26 N 4.38 0.74 1.05 1.71 -2.24 -1.26 -2.77 114.28 115.88 1idb n THR 26 Ca -0.04 0.16 0.12 0.00 -2.27 0.00 0.00 64.05 62.01 1idb n THR 26 Cb 0.42 -0.91 0.08 0.00 -2.10 0.00 0.00 70.33 67.83 1idb n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1idb n GLY 27 N 0.38 0.17 3.66 3.38 0.00 -1.26 -4.80 105.19 106.73 1idb n GLY 27 Ca 0.04 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 1idb n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1idb s ALA 28 N -2.36 3.59 0.16 4.61 0.00 -1.12 -4.97 121.76 121.68 1idb s ALA 28 Ca 0.22 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.38 1idb s ALA 28 Cb 0.19 -2.45 0.01 0.00 0.00 0.00 0.00 23.12 20.87 1idb s ALA 28 CO 0.50 -0.24 1.43 -0.44 0.00 0.00 0.00 175.76 177.01 1idb h ASP 29 N 7.45 0.71 -4.82 0.00 3.32 -1.88 0.49 116.42 121.69 1idb h ASP 29 Ca -0.37 -0.42 -0.59 0.00 0.02 0.00 0.00 57.03 55.67 1idb h ASP 29 Cb 1.17 -0.21 -0.11 0.00 0.22 0.00 0.00 39.33 40.40 1idb h ASP 29 CO 0.68 1.17 -0.43 0.47 -1.72 0.00 0.00 179.24 179.41 1idb n ASP 30 N -3.93 3.06 -4.26 6.45 8.00 -1.26 -3.24 116.55 121.37 1idb n ASP 30 Ca -0.04 -3.01 -0.29 0.00 0.71 0.00 0.00 54.79 52.15 1idb n ASP 30 Cb 0.66 0.39 -0.16 0.00 -0.02 0.00 0.00 41.12 41.99 1idb n ASP 30 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1idb s SER 31 N -3.50 2.74 -0.06 -2.24 0.01 -1.26 -3.31 113.70 106.07 1idb s SER 31 Ca 0.02 -0.43 -0.02 0.00 1.31 0.00 0.00 55.95 56.83 1idb s SER 31 Cb 0.00 -0.37 0.04 0.00 0.21 0.00 0.00 66.02 65.89 1idb s SER 31 CO 0.01 0.28 0.13 -0.51 0.41 0.00 0.00 173.24 173.56 1idb s ILE 32 N -0.48 -0.05 0.03 1.44 2.07 -0.28 -1.68 121.20 122.25 1idb s ILE 32 Ca 0.07 0.19 0.06 0.00 -1.41 0.00 0.00 60.65 59.55 1idb s ILE 32 Cb -0.10 -0.21 -0.02 0.00 0.13 0.00 0.00 42.46 42.26 1idb s ILE 32 CO -0.00 0.08 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.25 1idb s VAL 33 N 1.16 1.28 0.24 4.00 1.01 -0.85 -0.36 120.40 126.88 1idb s VAL 33 Ca -0.09 -0.99 0.11 0.00 0.00 0.00 0.00 61.98 61.01 1idb s VAL 33 Cb -0.12 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 1idb s VAL 33 CO -0.05 0.12 -0.20 0.00 0.00 0.00 0.00 175.10 174.96 1idb s ALA 34 N -0.75 2.53 0.00 5.51 0.00 -1.26 -1.52 121.76 126.28 1idb s ALA 34 Ca 0.04 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.25 1idb s ALA 34 Cb -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1idb s ALA 34 CO 0.01 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.47 1idb n GLY 35 N -0.26 0.58 3.09 0.00 0.00 -1.26 -5.01 105.19 102.34 1idb n GLY 35 Ca -0.08 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 1idb n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1idb s ILE 36 N -2.00 0.85 -0.36 -0.61 -4.36 -1.26 -5.11 121.20 108.34 1idb s ILE 36 Ca 0.00 -0.87 -0.13 0.00 -0.26 0.00 0.00 60.65 59.38 1idb s ILE 36 Cb 0.00 -0.79 -0.01 0.00 1.25 0.00 0.00 42.46 42.91 1idb s ILE 36 CO 0.00 -0.06 0.26 -1.61 0.24 0.00 0.00 174.94 173.76 1idb s GLU 37 N -1.05 3.33 -0.00 0.37 0.41 -1.26 -4.98 118.70 115.52 1idb s GLU 37 Ca -0.01 -0.76 0.12 0.00 -0.41 0.00 0.00 54.97 53.91 1idb s GLU 37 Cb -0.07 -3.85 -0.21 0.00 -1.78 0.00 0.00 34.13 28.21 1idb s GLU 37 CO 0.01 -0.53 0.78 -0.07 -0.49 0.00 0.00 175.26 174.96 1idb h LEU 38 N 8.53 0.00 0.00 1.80 3.38 -2.00 -3.51 115.31 123.51 1idb h LEU 38 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1idb h LEU 38 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1idb h LEU 38 CO 0.66 0.94 0.00 0.61 0.09 0.00 0.00 178.44 180.74 1idb n GLY 39 N 1.50 0.45 0.01 0.83 0.00 -1.26 -4.93 105.19 101.79 1idb n GLY 39 Ca -0.13 -1.73 0.11 0.00 0.00 0.00 0.00 46.02 44.26 1idb n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1idb n ASN 40 N 2.40 0.73 -4.49 1.61 5.15 -1.26 -4.73 115.26 114.67 1idb n ASN 40 Ca 0.00 -0.58 -0.43 0.00 -0.60 0.00 0.00 54.58 52.97 1idb n ASN 40 Cb 0.00 0.87 -0.01 0.00 -0.53 0.00 0.00 39.78 40.11 1idb n ASN 40 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1idb s ASN 41 N -3.34 6.79 0.15 1.20 2.47 -1.26 -4.93 114.94 116.01 1idb s ASN 41 Ca 0.06 -2.34 -0.03 0.00 0.42 0.00 0.00 52.86 50.97 1idb s ASN 41 Cb 0.16 -2.45 -0.03 0.00 -1.45 0.00 0.00 41.25 37.48 1idb s ASN 41 CO 0.82 -1.03 0.13 -0.72 -3.72 0.00 0.00 177.10 172.58 1idb s TYR 42 N 2.84 0.76 0.01 0.43 -0.85 -1.26 -4.67 117.35 114.61 1idb s TYR 42 Ca 0.41 -1.12 0.08 0.00 -0.52 0.00 0.00 57.07 55.92 1idb s TYR 42 Cb -0.02 -0.37 -0.02 0.00 0.38 0.00 0.00 41.96 41.92 1idb s TYR 42 CO -0.04 -0.59 -0.25 -1.12 -1.52 0.00 0.00 175.55 172.03 1idb s SER 43 N -3.04 3.02 -0.05 -0.18 0.01 -1.13 -4.93 113.70 107.40 1idb s SER 43 Ca 0.24 -0.51 -0.21 0.00 1.31 0.00 0.00 55.95 56.78 1idb s SER 43 Cb 0.06 -0.31 -0.05 0.00 0.21 0.00 0.00 66.02 65.94 1idb s SER 43 CO 0.02 0.28 0.60 -2.16 0.41 0.00 0.00 173.24 172.40 1idb s PRO 44 N -0.86 4.36 0.27 12.44 0.05 -1.26 0.11 135.00 150.11 1idb s PRO 44 Ca 0.10 0.72 0.11 0.00 0.05 0.00 0.00 61.00 61.99 1idb s PRO 44 Cb -0.10 -3.39 -0.05 0.00 0.05 0.00 0.00 34.50 31.01 1idb s PRO 44 CO 0.00 0.23 -0.16 0.15 0.05 0.00 0.00 177.00 177.27 1idb s LYS 45 N 0.29 1.80 -0.11 4.56 -0.14 -0.53 -4.91 119.74 120.70 1idb s LYS 45 Ca 0.32 -1.69 -0.03 0.00 -1.36 0.00 0.00 55.97 53.21 1idb s LYS 45 Cb -0.17 -1.85 -0.03 0.00 -1.68 0.00 0.00 37.83 34.09 1idb s LYS 45 CO 0.16 0.34 0.01 0.42 -0.76 0.00 0.00 175.35 175.52 1idb s ILE 46 N -2.45 4.38 -0.03 2.17 1.09 -1.26 0.15 121.20 125.26 1idb s ILE 46 Ca 0.30 -0.21 -0.01 0.00 -1.10 0.00 0.00 60.65 59.64 1idb s ILE 46 Cb -0.05 -2.88 0.03 0.00 -1.06 0.00 0.00 42.46 38.50 1idb s ILE 46 CO 0.16 0.57 0.05 -0.69 -0.10 0.00 0.00 174.94 174.93 1idb s VAL 47 N -0.54 -0.06 -0.16 2.92 1.01 0.81 -4.93 120.40 119.44 1idb s VAL 47 Ca 0.09 0.23 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 1idb s VAL 47 Cb -0.12 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1idb s VAL 47 CO 0.02 0.09 0.34 -0.83 0.00 0.00 0.00 175.10 174.72 1idb s GLY 48 N 1.16 2.21 0.00 4.51 0.00 -1.26 0.74 107.32 114.67 1idb s GLY 48 Ca -0.08 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.20 1idb s GLY 48 CO -0.03 0.56 0.00 0.61 0.00 0.00 0.00 173.10 174.23 1idb n GLY 49 N 3.51 4.99 0.25 0.20 0.00 -0.63 -5.02 105.19 108.48 1idb n GLY 49 Ca -0.11 -1.78 -0.06 0.00 0.00 0.00 0.00 46.02 44.07 1idb n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1idb h ILE 50 N 0.58 1.19 0.12 -0.61 2.10 -2.04 -3.25 117.51 115.60 1idb h ILE 50 Ca 0.00 -0.44 -0.30 0.00 1.08 0.00 0.00 64.86 65.20 1idb h ILE 50 Cb 0.00 0.38 -0.00 0.00 -1.09 0.00 0.00 36.82 36.11 1idb h ILE 50 CO 0.00 0.20 -1.44 1.23 -1.08 0.00 0.00 178.15 177.05 1idb h GLY 51 N 0.82 0.29 0.00 8.18 0.00 -2.01 -3.50 103.07 106.84 1idb h GLY 51 Ca 0.22 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1idb h GLY 51 CO -0.04 0.64 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1idb n GLY 52 N 1.62 -0.77 3.55 4.60 0.00 -1.23 -5.15 105.19 107.81 1idb n GLY 52 Ca -0.14 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 1idb n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1idb s PHE 53 N -4.00 2.64 0.09 1.61 0.40 -1.26 -1.60 117.98 115.86 1idb s PHE 53 Ca 0.00 -0.21 0.05 0.00 -0.60 0.00 0.00 56.93 56.17 1idb s PHE 53 Cb 0.00 -1.35 -0.03 0.00 0.51 0.00 0.00 43.02 42.15 1idb s PHE 53 CO 0.00 0.45 -0.14 0.96 0.70 0.00 0.00 175.22 177.19 1idb s ILE 54 N -1.39 1.20 0.12 0.64 -4.36 0.23 -4.92 121.20 112.72 1idb s ILE 54 Ca 0.22 -1.45 -0.23 0.00 -0.26 0.00 0.00 60.65 58.93 1idb s ILE 54 Cb -0.10 -1.24 -0.07 0.00 1.25 0.00 0.00 42.46 42.30 1idb s ILE 54 CO 0.13 -0.28 0.69 0.20 0.24 0.00 0.00 174.94 175.92 1idb s ASN 55 N -1.97 7.24 0.24 4.36 0.01 -1.26 -0.14 114.94 123.41 1idb s ASN 55 Ca 0.02 1.47 0.01 0.00 -0.71 0.00 0.00 52.86 53.64 1idb s ASN 55 Cb -0.08 -2.44 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 1idb s ASN 55 CO 0.02 0.22 0.14 0.42 -1.51 0.00 0.00 177.10 176.40 1idb s THR 56 N -1.05 0.17 -0.20 1.60 -4.23 0.12 -4.59 115.64 107.46 1idb s THR 56 Ca 0.33 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.83 1idb s THR 56 Cb -0.21 -2.53 0.01 0.00 1.34 0.00 0.00 72.50 71.10 1idb s THR 56 CO 0.23 0.00 -0.12 -0.54 -0.54 0.00 0.00 174.62 173.65 1idb s LYS 57 N -4.04 3.16 -0.12 3.99 1.02 -0.67 -1.45 119.74 121.63 1idb s LYS 57 Ca 0.38 -0.74 -0.19 0.00 0.02 0.00 0.00 55.97 55.44 1idb s LYS 57 Cb 0.07 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 1idb s LYS 57 CO 0.14 -0.21 0.53 -2.00 -0.92 0.00 0.00 175.35 172.89 1idb s GLU 58 N 1.38 4.34 -0.09 1.68 2.12 0.12 0.16 118.70 128.40 1idb s GLU 58 Ca 0.05 0.54 0.03 0.00 0.36 0.00 0.00 54.97 55.95 1idb s GLU 58 Cb -0.14 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 1idb s GLU 58 CO -0.08 0.09 -0.19 0.71 -0.54 0.00 0.00 175.26 175.24 1idb s TYR 59 N 0.82 2.63 0.20 5.30 1.51 -0.17 -2.82 117.35 124.82 1idb s TYR 59 Ca 0.28 -0.71 0.06 0.00 -1.01 0.00 0.00 57.07 55.69 1idb s TYR 59 Cb -0.16 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.94 1idb s TYR 59 CO 0.12 -0.22 0.13 0.15 -1.11 0.00 0.00 175.55 174.62 1idb s LYS 60 N 0.07 2.82 -1.59 -0.62 1.02 -1.26 -1.52 119.74 118.64 1idb s LYS 60 Ca -0.08 -1.00 -0.13 0.00 0.02 0.00 0.00 55.97 54.78 1idb s LYS 60 Cb -0.15 -2.55 0.11 0.00 -0.52 0.00 0.00 37.83 34.71 1idb s LYS 60 CO 0.05 0.44 0.76 0.09 -0.92 0.00 0.00 175.35 175.78 1idb n ASN 61 N -0.65 -3.02 -4.73 2.83 3.02 -1.23 -4.90 115.26 106.58 1idb n ASN 61 Ca -0.08 -0.95 -0.41 0.00 -0.03 0.00 0.00 54.58 53.11 1idb n ASN 61 Cb 0.56 -3.13 -0.04 0.00 -0.61 0.00 0.00 39.78 36.56 1idb n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1idb s VAL 62 N -3.44 4.46 -0.22 2.41 1.01 -0.66 -4.70 120.40 119.27 1idb s VAL 62 Ca 0.56 2.02 -0.21 0.00 0.00 0.00 0.00 61.98 64.35 1idb s VAL 62 Cb -0.30 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.77 1idb s VAL 62 CO 0.89 0.30 0.63 -0.70 0.00 0.00 0.00 175.10 176.22 1idb s GLU 63 N 0.07 4.17 -0.08 2.72 2.12 -1.26 -0.13 118.70 126.31 1idb s GLU 63 Ca 0.48 0.59 0.05 0.00 0.36 0.00 0.00 54.97 56.44 1idb s GLU 63 Cb -0.24 -3.61 -0.00 0.00 0.26 0.00 0.00 34.13 30.54 1idb s GLU 63 CO 0.30 -0.31 -0.24 0.42 -0.54 0.00 0.00 175.26 174.90 1idb s ILE 64 N 2.14 1.99 -0.26 -3.70 1.01 -0.06 -0.03 121.20 122.30 1idb s ILE 64 Ca 0.28 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 1idb s ILE 64 Cb -0.16 -1.71 0.03 0.00 0.01 0.00 0.00 42.46 40.63 1idb s ILE 64 CO 0.10 0.55 -0.03 -1.61 0.00 0.00 0.00 174.94 173.94 1idb s GLU 65 N 0.15 2.77 -0.09 2.79 8.01 -0.10 0.47 118.70 132.70 1idb s GLU 65 Ca -0.12 -1.03 -0.16 0.00 0.01 0.00 0.00 54.97 53.66 1idb s GLU 65 Cb -0.16 -3.07 0.04 0.00 -4.31 0.00 0.00 34.13 26.63 1idb s GLU 65 CO 0.06 -0.45 0.41 0.54 0.01 0.00 0.00 175.26 175.83 1idb s VAL 66 N 1.33 0.02 -1.34 2.63 0.11 0.14 0.11 120.40 123.40 1idb s VAL 66 Ca -0.01 -0.18 -0.14 0.00 -2.93 0.00 0.00 61.98 58.72 1idb s VAL 66 Cb -0.17 -0.64 0.13 0.00 -1.53 0.00 0.00 36.38 34.16 1idb s VAL 66 CO -0.03 -0.10 0.51 0.18 -3.33 0.00 0.00 175.10 172.33 1idb n LEU 67 N 2.06 -1.15 0.00 2.54 4.77 -1.26 0.22 117.00 124.18 1idb n LEU 67 Ca -0.17 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1idb n LEU 67 Cb 0.57 -1.80 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 1idb n LEU 67 CO 0.17 0.14 0.00 0.59 -1.33 0.00 0.00 177.39 176.97 1idb n ASN 68 N -2.29 -0.87 -4.71 -1.43 4.13 -1.26 -5.00 115.26 103.83 1idb n ASN 68 Ca 0.05 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.06 1idb n ASN 68 Cb 0.50 -0.63 -0.07 0.00 -1.54 0.00 0.00 39.78 38.04 1idb n ASN 68 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1idb s LYS 69 N -0.24 2.54 -0.14 3.52 -0.14 0.13 -5.13 119.74 120.28 1idb s LYS 69 Ca 0.00 -1.18 0.01 0.00 -1.36 0.00 0.00 55.97 53.44 1idb s LYS 69 Cb 0.00 -2.37 0.00 0.00 -1.68 0.00 0.00 37.83 33.78 1idb s LYS 69 CO 0.00 0.41 -0.18 0.21 -0.76 0.00 0.00 175.35 175.04 1idb s LYS 70 N -3.42 3.16 0.24 1.68 2.20 -1.26 -0.68 119.74 121.66 1idb s LYS 70 Ca 0.30 -0.79 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 1idb s LYS 70 Cb -0.08 -2.54 -0.05 0.00 -1.51 0.00 0.00 37.83 33.64 1idb s LYS 70 CO 0.21 0.04 0.05 0.14 -0.36 0.00 0.00 175.35 175.43 1idb s VAL 71 N 0.73 0.78 -0.11 4.02 -7.23 0.18 -5.00 120.40 113.77 1idb s VAL 71 Ca -0.08 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.11 1idb s VAL 71 Cb -0.16 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.31 1idb s VAL 71 CO 0.01 -0.17 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.32 1idb s ARG 72 N -3.95 2.47 0.32 4.82 0.52 -1.26 -0.88 118.95 120.99 1idb s ARG 72 Ca 0.33 -0.66 -0.09 0.00 -0.52 0.00 0.00 55.73 54.79 1idb s ARG 72 Cb 0.07 -2.04 0.01 0.00 0.52 0.00 0.00 34.95 33.51 1idb s ARG 72 CO 0.11 -0.02 0.54 0.00 0.02 0.00 0.00 175.30 175.94 1idb s ALA 73 N 0.86 0.13 0.01 2.13 0.00 0.82 -4.81 121.76 120.90 1idb s ALA 73 Ca -0.08 -1.15 -0.27 0.00 0.00 0.00 0.00 51.96 50.46 1idb s ALA 73 Cb -0.15 1.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.96 1idb s ALA 73 CO -0.00 -0.85 0.85 0.99 0.00 0.00 0.00 175.76 176.74 1idb s THR 74 N -3.24 4.82 -0.08 0.00 2.01 -1.26 -1.65 115.64 116.24 1idb s THR 74 Ca 0.25 1.79 0.02 0.00 0.31 0.00 0.00 61.69 64.06 1idb s THR 74 Cb -0.01 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.31 1idb s THR 74 CO 0.15 0.26 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.58 1idb s ILE 75 N 0.52 1.21 0.32 1.82 -1.09 -0.58 -4.53 121.20 118.87 1idb s ILE 75 Ca 0.44 -0.50 0.01 0.00 -2.23 0.00 0.00 60.65 58.37 1idb s ILE 75 Cb -0.20 -1.11 -0.03 0.00 -1.58 0.00 0.00 42.46 39.53 1idb s ILE 75 CO 0.24 0.38 0.51 -0.04 -1.23 0.00 0.00 174.94 174.80 1idb s MET 76 N 0.83 3.48 -0.08 2.79 -1.94 -0.68 -1.00 119.30 122.70 1idb s MET 76 Ca -0.11 -0.40 0.02 0.00 -1.71 0.00 0.00 55.69 53.49 1idb s MET 76 Cb -0.15 -2.71 0.01 0.00 2.01 0.00 0.00 34.83 33.99 1idb s MET 76 CO 0.02 0.21 -0.13 0.99 -0.01 0.00 0.00 175.02 176.10 1idb s THR 77 N -2.24 1.22 0.10 2.05 2.01 0.12 -2.01 115.64 116.89 1idb s THR 77 Ca 0.39 -0.51 -0.17 0.00 0.31 0.00 0.00 61.69 61.72 1idb s THR 77 Cb -0.10 -1.12 0.06 0.00 0.01 0.00 0.00 72.50 71.35 1idb s THR 77 CO 0.34 0.38 0.79 0.61 -0.69 0.00 0.00 174.62 176.05 1idb n GLY 78 N 3.98 0.68 3.54 4.40 0.00 -0.57 -1.67 105.19 115.55 1idb n GLY 78 Ca -0.21 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.49 1idb n GLY 78 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1idb n ASP 79 N -1.03 2.51 -4.08 1.61 2.03 -1.26 -4.15 116.55 112.18 1idb n ASP 79 Ca -0.00 -2.64 -0.28 0.00 0.52 0.00 0.00 54.79 52.38 1idb n ASP 79 Cb 0.42 -1.65 -0.17 0.00 -0.72 0.00 0.00 41.12 39.00 1idb n ASP 79 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1idb s THR 80 N 12.15 1.54 0.36 5.18 -1.32 -1.26 -5.02 115.64 127.28 1idb s THR 80 Ca 0.71 -0.69 0.08 0.00 -1.21 0.00 0.00 61.69 60.59 1idb s THR 80 Cb -0.00 -1.39 0.13 0.00 -1.51 0.00 0.00 72.50 69.73 1idb s THR 80 CO 0.16 0.45 1.86 1.55 -2.21 0.00 0.00 174.62 176.43 1idb h PRO 81 N 7.22 0.27 -5.01 7.08 0.14 -1.99 -3.43 132.00 136.28 1idb h PRO 81 Ca -0.29 -0.07 -0.46 0.00 0.14 0.00 0.00 66.00 65.31 1idb h PRO 81 Cb 1.19 -0.03 -0.30 0.00 0.14 0.00 0.00 31.00 32.00 1idb h PRO 81 CO 0.49 0.45 -0.80 0.42 0.14 0.00 0.00 178.00 178.69 1idb s ILE 82 N -4.63 1.00 -0.04 -3.56 1.01 -1.26 -5.11 121.20 108.61 1idb s ILE 82 Ca -0.05 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 59.78 1idb s ILE 82 Cb 0.15 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 1idb s ILE 82 CO 0.74 0.29 1.17 0.20 0.00 0.00 0.00 174.94 177.34 1idb s ASN 83 N -0.12 7.10 -0.15 3.58 0.01 -1.26 -4.87 114.94 119.22 1idb s ASN 83 Ca 0.02 1.81 -0.01 0.00 -0.71 0.00 0.00 52.86 53.96 1idb s ASN 83 Cb -0.07 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 1idb s ASN 83 CO 0.00 -0.53 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.33 1idb s ILE 84 N 1.92 3.25 -0.39 0.60 1.01 0.52 0.17 121.20 128.28 1idb s ILE 84 Ca 0.55 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 1idb s ILE 84 Cb -0.25 -2.39 0.07 0.00 0.01 0.00 0.00 42.46 39.89 1idb s ILE 84 CO 0.23 0.50 0.20 -0.36 0.00 0.00 0.00 174.94 175.51 1idb s PHE 85 N 0.53 3.33 0.00 3.97 0.40 -0.73 -1.13 117.98 124.35 1idb s PHE 85 Ca -0.07 -1.56 0.00 0.00 -0.60 0.00 0.00 56.93 54.70 1idb s PHE 85 Cb -0.15 -2.73 0.00 0.00 0.51 0.00 0.00 43.02 40.65 1idb s PHE 85 CO 0.04 -0.81 0.00 0.41 0.70 0.00 0.00 175.22 175.55 1idb n GLY 86 N 4.85 1.81 0.41 4.36 0.00 -1.21 -1.41 105.19 114.00 1idb n GLY 86 Ca -0.10 -2.09 0.23 0.00 0.00 0.00 0.00 46.02 44.06 1idb n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1idb h ARG 87 N 0.00 0.00 -0.70 1.61 3.08 -0.10 -2.18 114.38 116.09 1idb h ARG 87 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1idb h ARG 87 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1idb h ARG 87 CO 0.00 0.00 0.16 -2.95 -1.07 0.00 0.00 179.97 176.11 1idb h ASN 88 N 0.00 1.06 0.23 7.04 -1.07 -1.82 -0.68 115.58 120.35 1idb h ASN 88 Ca 0.28 -0.24 -0.33 0.00 0.07 0.00 0.00 56.30 56.08 1idb h ASN 88 Cb 1.26 -0.28 0.03 0.00 -2.07 0.00 0.00 38.32 37.26 1idb h ASN 88 CO -0.00 1.03 -1.49 0.40 0.07 0.00 0.00 177.43 177.43 1idb h ILE 89 N 1.05 1.22 -0.64 6.14 2.04 -1.81 -2.95 117.51 122.56 1idb h ILE 89 Ca 0.22 -2.64 0.06 0.00 1.00 0.00 0.00 64.86 63.50 1idb h ILE 89 Cb 0.38 3.00 -0.06 0.00 -0.74 0.00 0.00 36.82 39.40 1idb h ILE 89 CO 0.00 0.81 0.34 -0.07 0.00 0.00 0.00 178.15 179.24 1idb h LEU 90 N 0.09 0.49 -0.25 1.44 4.07 -1.23 -1.69 115.31 118.23 1idb h LEU 90 Ca -0.27 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.71 1idb h LEU 90 Cb 2.11 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 43.78 1idb h LEU 90 CO 0.24 0.32 0.08 0.74 -1.08 0.00 0.00 178.44 178.74 1idb h THR 91 N 0.63 1.19 -0.31 0.22 2.02 -1.23 -1.66 112.91 113.77 1idb h THR 91 Ca 0.29 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1idb h THR 91 Cb 0.21 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1idb h THR 91 CO -0.19 0.20 0.20 0.00 0.37 0.00 0.00 175.52 176.10 1idb h ALA 92 N 0.91 1.78 0.00 6.16 0.00 -1.25 -1.97 119.26 124.89 1idb h ALA 92 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1idb h ALA 92 Cb 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1idb h ALA 92 CO -0.00 0.20 0.00 -0.07 0.00 0.00 0.00 179.25 179.38 1idb h LEU 93 N 0.42 0.00 0.00 0.00 -0.00 -1.06 -3.47 115.31 111.20 1idb h LEU 93 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 1idb h LEU 93 Cb -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 1idb h LEU 93 CO -0.02 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.03 1idb n GLY 94 N 1.20 0.56 3.80 0.83 0.00 -0.74 -5.05 105.19 105.80 1idb n GLY 94 Ca 0.05 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 1idb n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1idb s MET 95 N -2.90 4.14 0.05 1.61 0.00 -0.65 -5.04 119.30 116.50 1idb s MET 95 Ca 0.00 1.29 -0.05 0.00 0.00 0.00 0.00 55.69 56.92 1idb s MET 95 Cb 0.00 -2.30 -0.02 0.00 0.00 0.00 0.00 34.83 32.52 1idb s MET 95 CO 0.00 -0.13 0.09 -1.54 0.00 0.00 0.00 175.02 173.44 1idb s SER 96 N -1.94 0.24 -0.06 1.11 1.04 -1.26 -4.74 113.70 108.09 1idb s SER 96 Ca 0.61 -0.67 -0.16 0.00 0.48 0.00 0.00 55.95 56.21 1idb s SER 96 Cb -0.15 0.25 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 1idb s SER 96 CO 0.19 -0.58 0.43 -0.76 0.98 0.00 0.00 173.24 173.50 1idb s LEU 97 N -2.47 4.38 0.06 2.42 1.43 -1.26 -5.08 118.68 118.15 1idb s LEU 97 Ca 0.00 0.87 0.04 0.00 -1.03 0.00 0.00 54.13 54.01 1idb s LEU 97 Cb 0.02 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 1idb s LEU 97 CO -0.07 0.18 -0.11 0.20 0.23 0.00 0.00 176.35 176.78 1idb s ASN 98 N -0.29 1.28 0.00 2.29 -0.87 -1.26 -5.29 114.94 110.80 1idb s ASN 98 Ca 0.24 -0.58 0.00 0.00 -1.57 0.00 0.00 52.86 50.95 1idb s ASN 98 Cb -0.16 -0.01 0.00 0.00 -0.02 0.00 0.00 41.25 41.06 1idb s ASN 98 CO 0.11 -0.13 0.24 -0.11 -2.57 0.00 0.00 177.10 174.64