#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj0 s SER 2 N 0.00 3.66 0.56 1.61 0.01 -1.26 -5.00 113.70 113.29 2dj0 s SER 2 Ca 0.00 -0.39 0.25 0.00 1.31 0.00 0.00 55.95 57.12 2dj0 s SER 2 Cb 0.00 -1.36 1.57 0.00 0.21 0.00 0.00 66.02 66.44 2dj0 s SER 2 CO 0.00 0.20 2.15 0.77 0.41 0.00 0.00 173.24 176.77 2dj0 h SER 3 N 6.45 0.00 -2.94 2.44 4.64 -2.05 -3.20 113.55 118.89 2dj0 h SER 3 Ca -0.27 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.36 2dj0 h SER 3 Cb 1.21 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.93 2dj0 h SER 3 CO 0.52 0.00 -0.12 0.61 -0.87 0.00 0.00 176.83 176.97 2dj0 n GLY 4 N -1.44 4.47 3.84 -0.77 0.00 -1.26 -5.02 105.19 105.00 2dj0 n GLY 4 Ca -0.00 -2.65 -0.33 0.00 0.00 0.00 0.00 46.02 43.03 2dj0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dj0 s SER 5 N -1.16 6.87 -0.16 1.61 0.15 -1.21 -5.03 113.70 114.77 2dj0 s SER 5 Ca 0.31 1.36 -0.29 0.00 0.70 0.00 0.00 55.95 58.02 2dj0 s SER 5 Cb 0.01 -2.40 -0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2dj0 s SER 5 CO -0.06 -0.15 1.03 -0.44 1.20 0.00 0.00 173.24 174.81 2dj0 s SER 6 N -2.10 7.18 -0.24 5.45 0.01 -1.26 -4.42 113.70 118.32 2dj0 s SER 6 Ca 0.52 1.47 -0.21 0.00 1.31 0.00 0.00 55.95 59.03 2dj0 s SER 6 Cb -0.12 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.59 2dj0 s SER 6 CO 0.18 -0.55 0.36 0.61 0.41 0.00 0.00 173.24 174.25 2dj0 n GLY 7 N 3.20 0.11 3.07 3.44 0.00 -1.26 -4.95 105.19 108.80 2dj0 n GLY 7 Ca 0.10 0.62 -0.29 0.00 0.00 0.00 0.00 46.02 46.46 2dj0 n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dj0 s TYR 8 N -0.98 2.03 -0.05 1.61 1.13 -1.26 -5.13 117.35 114.70 2dj0 s TYR 8 Ca 0.21 -0.94 0.06 0.00 -1.41 0.00 0.00 57.07 54.99 2dj0 s TYR 8 Cb -0.02 -1.45 -0.01 0.00 -1.10 0.00 0.00 41.96 39.38 2dj0 s TYR 8 CO 0.47 -0.47 -0.25 0.42 -2.51 0.00 0.00 175.55 173.21 2dj0 s ILE 9 N 0.92 2.10 -0.71 -3.49 1.01 -1.26 -4.84 121.20 114.93 2dj0 s ILE 9 Ca -0.08 -1.06 -0.24 0.00 0.00 0.00 0.00 60.65 59.28 2dj0 s ILE 9 Cb -0.15 -1.75 0.06 0.00 0.01 0.00 0.00 42.46 40.63 2dj0 s ILE 9 CO -0.01 0.57 1.08 -0.75 0.00 0.00 0.00 174.94 175.83 2dj0 s LYS 10 N -0.28 3.17 0.08 2.79 2.20 -1.02 -4.92 119.74 121.76 2dj0 s LYS 10 Ca -0.00 -0.71 -0.31 0.00 -0.36 0.00 0.00 55.97 54.59 2dj0 s LYS 10 Cb -0.13 -4.28 -0.07 0.00 -1.51 0.00 0.00 37.83 31.85 2dj0 s LYS 10 CO 0.03 -1.92 1.30 0.71 -0.36 0.00 0.00 175.35 175.10 2dj0 s TYR 11 N 4.52 3.30 0.25 4.03 2.02 -1.26 -3.43 117.35 126.78 2dj0 s TYR 11 Ca 0.27 1.11 0.07 0.00 -0.37 0.00 0.00 57.07 58.15 2dj0 s TYR 11 Cb -0.13 -3.55 -0.04 0.00 -0.40 0.00 0.00 41.96 37.84 2dj0 s TYR 11 CO 0.10 -1.85 0.17 -0.06 -1.57 0.00 0.00 175.55 172.35 2dj0 s PHE 12 N 1.22 3.06 0.55 2.71 0.08 -1.26 -4.95 117.98 119.40 2dj0 s PHE 12 Ca 0.62 -0.12 0.09 0.00 0.12 0.00 0.00 56.93 57.63 2dj0 s PHE 12 Cb -0.33 -1.38 0.09 0.00 -0.57 0.00 0.00 43.02 40.83 2dj0 s PHE 12 CO 0.29 0.53 0.71 -1.71 -0.10 0.00 0.00 175.22 174.95 2dj0 n ASN 13 N -1.13 2.11 0.15 1.36 5.15 -1.26 -4.67 115.26 116.97 2dj0 n ASN 13 Ca -0.08 -2.52 0.00 0.00 -0.60 0.00 0.00 54.58 51.39 2dj0 n ASN 13 Cb 0.58 -0.35 0.19 0.00 -0.53 0.00 0.00 39.78 39.67 2dj0 n ASN 13 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2dj0 h ASP 14 N 0.17 0.00 0.00 1.20 3.58 -1.99 -2.73 116.42 116.64 2dj0 h ASP 14 Ca -0.27 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 56.99 2dj0 h ASP 14 Cb 1.20 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.22 2dj0 h ASP 14 CO 0.39 0.57 -1.53 1.17 -2.88 0.00 0.00 179.24 176.96 2dj0 n LYS 15 N -3.68 0.55 -0.30 0.28 0.00 -1.26 -4.50 118.16 109.24 2dj0 n LYS 15 Ca -0.01 0.30 0.11 0.00 0.00 0.00 0.00 58.31 58.72 2dj0 n LYS 15 Cb 0.61 -1.51 0.28 0.00 0.00 0.00 0.00 35.03 34.41 2dj0 n LYS 15 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2dj0 h THR 16 N -1.00 0.55 -1.16 3.15 1.35 -1.97 0.77 112.91 114.60 2dj0 h THR 16 Ca -0.29 -0.16 0.34 0.00 -0.55 0.00 0.00 66.41 65.75 2dj0 h THR 16 Cb 1.20 0.04 -0.05 0.00 -1.73 0.00 0.00 68.15 67.61 2dj0 h THR 16 CO -0.17 0.08 1.24 0.00 -0.25 0.00 0.00 175.52 176.42 2dj0 n ILE 17 N -5.00 0.00 -0.06 6.82 3.06 -1.03 -0.27 119.36 122.88 2dj0 n ILE 17 Ca 0.21 1.27 -0.03 0.00 -2.50 0.00 0.00 62.75 61.69 2dj0 n ILE 17 Cb 0.59 -2.25 -0.02 0.00 0.54 0.00 0.00 39.64 38.50 2dj0 n ILE 17 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 2dj0 h ASP 18 N 0.00 0.00 -1.00 9.51 3.58 -1.11 -3.07 116.42 124.33 2dj0 h ASP 18 Ca 0.55 -0.06 0.22 0.00 0.42 0.00 0.00 57.03 58.16 2dj0 h ASP 18 Cb 3.02 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 43.96 2dj0 h ASP 18 CO -0.01 0.67 0.61 1.05 -2.88 0.00 0.00 179.24 178.68 2dj0 h GLU 19 N -1.00 0.63 0.72 0.28 4.11 -0.70 0.68 114.58 119.30 2dj0 h GLU 19 Ca -0.01 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.34 2dj0 h GLU 19 Cb 0.31 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.42 2dj0 h GLU 19 CO -0.01 0.42 -0.35 1.49 0.07 0.00 0.00 179.01 180.63 2dj0 h GLU 20 N 0.65 -0.93 0.00 1.06 4.57 -1.09 -1.15 114.58 117.69 2dj0 h GLU 20 Ca 0.60 0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.84 2dj0 h GLU 20 Cb 1.09 0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 29.89 2dj0 h GLU 20 CO -0.40 -0.62 -0.02 -0.07 -1.18 0.00 0.00 179.01 176.72 2dj0 h LEU 21 N -1.26 0.00 0.03 1.64 3.38 -1.30 0.26 115.31 118.05 2dj0 h LEU 21 Ca -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2dj0 h LEU 21 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2dj0 h LEU 21 CO 0.16 0.02 -0.01 -0.33 0.09 0.00 0.00 178.44 178.37 2dj0 h GLU 22 N 0.00 -0.04 -0.12 1.13 4.39 0.49 -1.36 114.58 119.07 2dj0 h GLU 22 Ca -0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.54 2dj0 h GLU 22 Cb 0.09 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2dj0 h GLU 22 CO 0.00 0.58 -0.57 0.07 -1.16 0.00 0.00 179.01 177.93 2dj0 h ARG 23 N -0.71 0.59 -0.91 2.33 0.11 -0.82 -3.14 114.38 111.83 2dj0 h ARG 23 Ca -0.00 -0.48 -0.21 0.00 0.10 0.00 0.00 59.98 59.39 2dj0 h ARG 23 Cb 0.64 0.10 -0.12 0.00 1.11 0.00 0.00 29.97 31.70 2dj0 h ARG 23 CO 0.01 1.11 0.26 -0.25 0.10 0.00 0.00 179.97 181.20 2dj0 n ASP 24 N -4.16 3.61 -0.01 0.08 9.92 0.87 -4.63 116.55 122.23 2dj0 n ASP 24 Ca -0.08 -2.84 -0.01 0.00 -0.53 0.00 0.00 54.79 51.33 2dj0 n ASP 24 Cb 0.64 -0.67 -0.01 0.00 -0.64 0.00 0.00 41.12 40.43 2dj0 n ASP 24 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2dj0 h LYS 25 N 1.23 -0.04 -1.75 -1.24 1.57 -1.19 0.11 116.57 115.26 2dj0 h LYS 25 Ca 0.26 0.00 0.53 0.00 -1.87 0.00 0.00 60.65 59.57 2dj0 h LYS 25 Cb 1.89 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 34.11 2dj0 h LYS 25 CO 0.55 -0.03 1.22 0.07 -0.57 0.00 0.00 179.45 180.69 2dj0 h ARG 26 N -0.04 0.01 -6.43 3.15 -0.00 -1.86 -2.00 114.38 107.21 2dj0 h ARG 26 Ca 0.01 -0.00 -0.53 0.00 -0.00 0.00 0.00 59.98 59.45 2dj0 h ARG 26 Cb 0.06 -0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.00 2dj0 h ARG 26 CO -0.05 0.00 0.30 0.08 -0.00 0.00 0.00 179.97 180.31 2dj0 s VAL 27 N -5.01 4.68 -0.34 0.08 1.01 0.39 -4.70 120.40 116.52 2dj0 s VAL 27 Ca -0.06 1.93 -0.29 0.00 0.00 0.00 0.00 61.98 63.56 2dj0 s VAL 27 Cb 0.28 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.41 2dj0 s VAL 27 CO 0.87 0.28 1.29 -0.89 0.00 0.00 0.00 175.10 176.65 2dj0 s THR 28 N 0.31 4.13 -0.19 3.92 2.01 -1.26 -4.39 115.64 120.17 2dj0 s THR 28 Ca 0.46 1.25 -0.05 0.00 0.31 0.00 0.00 61.69 63.66 2dj0 s THR 28 Cb -0.22 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.04 2dj0 s THR 28 CO 0.27 -0.58 -0.00 0.26 -0.69 0.00 0.00 174.62 173.88 2dj0 s TRP 29 N 4.52 3.04 -0.39 4.92 0.52 -0.92 -4.18 118.94 126.45 2dj0 s TRP 29 Ca 0.55 -0.44 -0.07 0.00 0.02 0.00 0.00 56.10 56.16 2dj0 s TRP 29 Cb -0.15 -2.07 0.07 0.00 -1.15 0.00 0.00 33.47 30.17 2dj0 s TRP 29 CO 0.25 -0.21 0.19 -1.50 0.02 0.00 0.00 176.95 175.70 2dj0 s ILE 30 N 0.92 3.95 0.02 2.03 2.07 -1.22 -1.77 121.20 127.20 2dj0 s ILE 30 Ca 0.01 -1.37 -0.02 0.00 -1.41 0.00 0.00 60.65 57.86 2dj0 s ILE 30 Cb -0.14 -3.38 -0.04 0.00 0.13 0.00 0.00 42.46 39.02 2dj0 s ILE 30 CO 0.02 -0.40 0.20 -0.69 -1.91 0.00 0.00 174.94 172.16 2dj0 s VAL 31 N 1.38 5.41 -0.30 4.00 1.01 -1.20 -1.63 120.40 129.07 2dj0 s VAL 31 Ca 0.02 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2dj0 s VAL 31 Cb -0.22 -3.57 0.07 0.00 0.00 0.00 0.00 36.38 32.67 2dj0 s VAL 31 CO 0.02 0.27 -0.03 -0.70 0.00 0.00 0.00 175.10 174.65 2dj0 s GLU 32 N -2.11 2.03 0.07 2.72 2.12 0.68 -3.02 118.70 121.20 2dj0 s GLU 32 Ca 0.30 -1.52 -0.30 0.00 0.36 0.00 0.00 54.97 53.81 2dj0 s GLU 32 Cb -0.13 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.16 2dj0 s GLU 32 CO 0.21 -0.71 0.98 -0.06 -0.54 0.00 0.00 175.26 175.15 2dj0 s PHE 33 N 1.06 3.74 0.26 5.30 0.40 -0.06 -3.14 117.98 125.55 2dj0 s PHE 33 Ca -0.02 1.74 -0.11 0.00 -0.60 0.00 0.00 56.93 57.94 2dj0 s PHE 33 Cb -0.20 -3.10 -0.00 0.00 0.51 0.00 0.00 43.02 40.23 2dj0 s PHE 33 CO -0.05 0.06 0.48 -0.59 0.70 0.00 0.00 175.22 175.81 2dj0 s PHE 34 N 0.37 0.47 0.14 0.36 -0.71 -1.18 -1.05 117.98 116.38 2dj0 s PHE 34 Ca 0.49 -0.82 0.07 0.00 -1.04 0.00 0.00 56.93 55.62 2dj0 s PHE 34 Cb -0.23 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 2dj0 s PHE 34 CO 0.29 -1.03 -0.15 0.00 -1.34 0.00 0.00 175.22 172.99 2dj0 s ALA 35 N -3.81 1.68 0.14 1.99 0.00 -1.26 0.12 121.76 120.61 2dj0 s ALA 35 Ca 0.24 -1.38 -0.05 0.00 0.00 0.00 0.00 51.96 50.76 2dj0 s ALA 35 Cb -0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 23.12 22.95 2dj0 s ALA 35 CO 0.11 0.13 1.35 -0.97 0.00 0.00 0.00 175.76 176.38 2dj0 h ASN 36 N 3.36 0.62 -0.18 0.00 -1.24 -1.96 -3.05 115.58 113.12 2dj0 h ASN 36 Ca -0.40 -0.44 -0.01 0.00 0.71 0.00 0.00 56.30 56.16 2dj0 h ASN 36 Cb 1.20 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 40.06 2dj0 h ASN 36 CO 0.52 1.22 0.01 -2.67 -1.29 0.00 0.00 177.43 175.22 2dj0 n TRP 37 N -3.82 0.64 -3.84 0.67 4.27 -1.26 -4.59 117.44 109.51 2dj0 n TRP 37 Ca -0.06 -0.26 -0.32 0.00 -3.89 0.00 0.00 57.50 52.97 2dj0 n TRP 37 Cb 0.77 -0.24 -0.12 0.00 -1.36 0.00 0.00 31.31 30.37 2dj0 n TRP 37 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2dj0 s SER 38 N -0.20 4.84 0.36 -0.67 0.15 -1.15 -4.94 113.70 112.10 2dj0 s SER 38 Ca 0.16 -3.17 0.11 0.00 0.70 0.00 0.00 55.95 53.76 2dj0 s SER 38 Cb 0.13 -1.73 0.89 0.00 -1.71 0.00 0.00 66.02 63.59 2dj0 s SER 38 CO 0.05 -0.25 1.84 -1.13 1.20 0.00 0.00 173.24 174.95 2dj0 h ASN 39 N 6.44 0.60 -1.00 5.45 -0.73 -1.86 -1.01 115.58 123.47 2dj0 h ASN 39 Ca -0.00 0.05 0.38 0.00 1.87 0.00 0.00 56.30 58.60 2dj0 h ASN 39 Cb 0.88 -0.06 -0.17 0.00 0.27 0.00 0.00 38.32 39.25 2dj0 h ASN 39 CO 0.72 0.26 0.56 0.44 -0.37 0.00 0.00 177.43 179.03 2dj0 h ASP 40 N 0.61 0.40 -0.92 1.15 3.32 -1.92 0.83 116.42 119.90 2dj0 h ASP 40 Ca 0.49 0.23 0.15 0.00 0.02 0.00 0.00 57.03 57.93 2dj0 h ASP 40 Cb 0.93 0.21 -0.10 0.00 0.22 0.00 0.00 39.33 40.60 2dj0 h ASP 40 CO -0.24 -0.31 0.53 0.00 -1.72 0.00 0.00 179.24 177.50 2dj0 h GLN 42 N 0.73 0.00 0.05 0.00 3.07 0.54 0.39 115.11 119.89 2dj0 h GLN 42 Ca 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.24 2dj0 h GLN 42 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.26 2dj0 h GLN 42 CO -0.35 0.00 -0.02 1.03 0.09 0.00 0.00 178.83 179.58 2dj0 h SER 43 N 0.00 -0.05 -0.37 0.06 0.87 -0.83 -3.08 113.55 110.15 2dj0 h SER 43 Ca 0.46 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2dj0 h SER 43 Cb 1.95 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.93 2dj0 h SER 43 CO -0.00 0.39 0.00 0.33 -0.53 0.00 0.00 176.83 177.02 2dj0 n PHE 44 N -4.91 0.72 0.45 2.24 7.35 0.04 -4.35 117.46 119.00 2dj0 n PHE 44 Ca -0.08 -0.30 -0.18 0.00 -0.76 0.00 0.00 57.45 56.12 2dj0 n PHE 44 Cb 0.24 -0.11 -0.09 0.00 0.35 0.00 0.00 39.48 39.87 2dj0 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dj0 h ALA 45 N 3.50 -1.15 -0.36 3.13 0.00 -0.24 -2.14 119.26 122.00 2dj0 h ALA 45 Ca 0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 2dj0 h ALA 45 Cb 0.78 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2dj0 h ALA 45 CO 0.09 -1.09 -0.35 -1.00 0.00 0.00 0.00 179.25 176.90 2dj0 h PRO 46 N -1.27 0.88 -0.78 0.00 0.13 -1.77 -3.01 132.00 126.19 2dj0 h PRO 46 Ca -0.12 -0.46 0.10 0.00 -0.87 0.00 0.00 66.00 64.65 2dj0 h PRO 46 Cb 0.89 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.96 2dj0 h PRO 46 CO 0.19 1.11 0.42 0.82 -0.23 0.00 0.00 178.00 180.31 2dj0 h ILE 47 N 0.68 0.88 -0.43 -3.56 2.04 -1.78 -0.72 117.51 114.62 2dj0 h ILE 47 Ca 0.06 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 2dj0 h ILE 47 Cb 0.94 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2dj0 h ILE 47 CO 0.09 0.13 0.08 0.22 0.00 0.00 0.00 178.15 178.66 2dj0 h TYR 48 N 0.70 0.76 -0.12 1.37 3.20 -1.37 -1.39 116.97 120.13 2dj0 h TYR 48 Ca 0.38 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 62.16 2dj0 h TYR 48 Cb 0.38 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2dj0 h TYR 48 CO -0.08 0.72 0.04 0.00 -1.64 0.00 0.00 178.16 177.20 2dj0 h ALA 49 N 0.94 0.13 0.04 1.82 0.00 -1.21 0.25 119.26 121.23 2dj0 h ALA 49 Ca 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dj0 h ALA 49 Cb 0.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2dj0 h ALA 49 CO 0.01 -0.42 -0.02 -0.44 0.00 0.00 0.00 179.25 178.38 2dj0 h ASP 50 N 0.10 -0.05 0.59 0.00 3.32 -1.09 -2.21 116.42 117.07 2dj0 h ASP 50 Ca 0.05 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 2dj0 h ASP 50 Cb 0.03 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2dj0 h ASP 50 CO -0.05 0.01 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.10 2dj0 h LEU 51 N -0.10 -0.75 -0.56 1.55 3.38 -1.10 -2.68 115.31 115.05 2dj0 h LEU 51 Ca -0.01 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.07 2dj0 h LEU 51 Cb 0.09 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 40.95 2dj0 h LEU 51 CO 0.01 -0.51 -0.50 0.77 0.09 0.00 0.00 178.44 178.30 2dj0 h SER 52 N -0.83 -1.73 -0.56 -0.43 4.64 -0.49 -0.35 113.55 113.80 2dj0 h SER 52 Ca -0.08 0.26 0.10 0.00 -0.47 0.00 0.00 61.79 61.60 2dj0 h SER 52 Cb 0.65 0.75 -0.11 0.00 -0.31 0.00 0.00 62.40 63.38 2dj0 h SER 52 CO 0.11 -0.35 -0.36 -0.07 -0.87 0.00 0.00 176.83 175.29 2dj0 h LEU 53 N -0.27 -1.24 -0.49 5.97 3.38 -1.34 0.61 115.31 121.94 2dj0 h LEU 53 Ca 0.13 0.23 0.09 0.00 0.09 0.00 0.00 57.88 58.42 2dj0 h LEU 53 Cb 0.56 0.59 -0.08 0.00 0.09 0.00 0.00 40.66 41.83 2dj0 h LEU 53 CO -0.68 -0.32 0.04 0.50 0.09 0.00 0.00 178.44 178.07 2dj0 h LYS 54 N -0.19 0.15 -0.69 1.13 3.64 -0.84 0.22 116.57 119.99 2dj0 h LYS 54 Ca 0.21 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2dj0 h LYS 54 Cb 0.56 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2dj0 h LYS 54 CO -0.66 0.10 0.00 0.66 -2.27 0.00 0.00 179.45 177.28 2dj0 n TYR 55 N -5.18 0.68 -3.74 1.91 4.01 -0.06 -4.58 117.16 110.19 2dj0 n TYR 55 Ca 0.05 -0.25 -0.30 0.00 -0.16 0.00 0.00 57.90 57.24 2dj0 n TYR 55 Cb 0.26 -0.19 -0.14 0.00 -0.31 0.00 0.00 39.34 38.96 2dj0 n TYR 55 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2dj0 s ASN 56 N -0.49 3.83 0.00 7.72 2.47 0.19 -4.04 114.94 124.63 2dj0 s ASN 56 Ca 0.20 -2.37 0.00 0.00 0.42 0.00 0.00 52.86 51.11 2dj0 s ASN 56 Cb 0.14 -1.05 0.00 0.00 -1.45 0.00 0.00 41.25 38.90 2dj0 s ASN 56 CO 0.08 -0.31 0.00 0.00 -3.72 0.00 0.00 177.10 173.15 2dj0 n THR 58 N -2.60 0.00 0.00 0.00 -1.04 -1.26 -5.06 114.28 104.32 2dj0 n THR 58 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2dj0 n THR 58 Cb 0.25 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 2dj0 n THR 58 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dj0 n GLY 59 N 2.02 1.06 3.09 3.41 0.00 -1.26 -4.86 105.19 108.66 2dj0 n GLY 59 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.45 2dj0 n GLY 59 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dj0 n LEU 60 N -0.79 0.84 -4.65 0.99 7.94 -1.26 -4.91 117.00 115.15 2dj0 n LEU 60 Ca 0.00 0.80 -0.27 0.00 -1.11 0.00 0.00 56.01 55.43 2dj0 n LEU 60 Cb 0.00 -0.80 -0.10 0.00 0.53 0.00 0.00 43.42 43.05 2dj0 n LEU 60 CO 0.00 -0.72 -0.26 0.20 -1.11 0.00 0.00 177.39 175.51 2dj0 s ASN 61 N 4.27 4.05 -0.10 1.96 0.01 -1.26 -3.73 114.94 120.14 2dj0 s ASN 61 Ca 1.02 -1.25 0.00 0.00 -0.71 0.00 0.00 52.86 51.92 2dj0 s ASN 61 Cb -1.34 -0.43 0.02 0.00 0.41 0.00 0.00 41.25 39.91 2dj0 s ASN 61 CO 0.65 -0.45 -0.09 -0.36 -1.51 0.00 0.00 177.10 175.34 2dj0 s PHE 62 N -2.66 1.43 0.15 2.20 0.40 -1.26 -3.46 117.98 114.78 2dj0 s PHE 62 Ca 0.37 -0.65 0.09 0.00 -0.60 0.00 0.00 56.93 56.14 2dj0 s PHE 62 Cb 0.07 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.41 2dj0 s PHE 62 CO 0.19 -0.43 -0.16 0.20 0.70 0.00 0.00 175.22 175.72 2dj0 s GLY 63 N 1.38 1.71 -0.13 4.36 0.00 -0.65 -2.42 107.32 111.56 2dj0 s GLY 63 Ca -0.01 -1.45 -0.04 0.00 0.00 0.00 0.00 44.72 43.22 2dj0 s GLY 63 CO -0.04 -1.46 0.06 1.25 0.00 0.00 0.00 173.10 172.91 2dj0 s LYS 64 N -2.49 0.20 -0.12 2.90 2.20 -1.22 -0.23 119.74 120.98 2dj0 s LYS 64 Ca 0.21 -0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.81 2dj0 s LYS 64 Cb -0.09 -1.49 -0.01 0.00 -1.51 0.00 0.00 37.83 34.73 2dj0 s LYS 64 CO 0.12 -0.55 -0.15 0.54 -0.36 0.00 0.00 175.35 174.95 2dj0 s VAL 65 N 2.08 2.88 -0.48 4.02 0.11 -1.19 -3.99 120.40 123.82 2dj0 s VAL 65 Ca 0.02 -0.73 -0.29 0.00 -2.93 0.00 0.00 61.98 58.06 2dj0 s VAL 65 Cb -0.15 -2.19 0.02 0.00 -1.53 0.00 0.00 36.38 32.53 2dj0 s VAL 65 CO -0.07 0.53 1.27 -0.62 -3.33 0.00 0.00 175.10 172.88 2dj0 s ASP 66 N 0.30 6.45 -0.05 3.54 2.15 -1.26 -3.12 116.67 124.68 2dj0 s ASP 66 Ca -0.11 0.52 -0.03 0.00 0.43 0.00 0.00 52.55 53.35 2dj0 s ASP 66 Cb -0.16 -2.55 -0.27 0.00 -0.30 0.00 0.00 42.92 39.64 2dj0 s ASP 66 CO 0.06 -1.40 0.64 -0.37 -0.17 0.00 0.00 175.17 173.93 2dj0 h VAL 67 N 6.32 0.90 -1.33 1.11 -1.51 -0.60 -2.93 116.25 118.21 2dj0 h VAL 67 Ca -0.25 -2.59 0.42 0.00 -1.23 0.00 0.00 66.70 63.05 2dj0 h VAL 67 Cb 1.08 2.63 -0.12 0.00 -2.13 0.00 0.00 31.29 32.75 2dj0 h VAL 67 CO 1.13 0.80 0.87 1.23 -1.23 0.00 0.00 177.57 180.37 2dj0 h GLY 68 N 1.61 1.15 0.00 5.19 0.00 -1.82 -0.44 103.07 108.75 2dj0 h GLY 68 Ca -0.32 -0.11 -0.37 0.00 0.00 0.00 0.00 47.33 46.53 2dj0 h GLY 68 CO 0.13 -0.33 -2.40 -2.13 0.00 0.00 0.00 176.54 171.81 2dj0 n ARG 69 N -4.61 0.69 -2.65 4.80 0.63 -1.26 -4.74 116.66 109.52 2dj0 n ARG 69 Ca 0.36 0.09 -0.43 0.00 -0.92 0.00 0.00 57.85 56.95 2dj0 n ARG 69 Cb 1.41 -1.50 -0.01 0.00 0.45 0.00 0.00 32.46 32.81 2dj0 n ARG 69 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2dj0 s TYR 70 N -2.49 2.87 0.56 -0.14 1.51 -0.18 -4.77 117.35 114.71 2dj0 s TYR 70 Ca -0.25 -1.58 0.39 0.00 -1.01 0.00 0.00 57.07 54.61 2dj0 s TYR 70 Cb 0.08 -4.66 2.08 0.00 -0.11 0.00 0.00 41.96 39.35 2dj0 s TYR 70 CO 0.66 -1.75 2.27 1.79 -1.11 0.00 0.00 175.55 177.42 2dj0 h THR 71 N 5.62 0.17 -0.33 -0.71 1.35 -1.85 -2.15 112.91 115.01 2dj0 h THR 71 Ca 0.38 -0.12 -0.09 0.00 -0.55 0.00 0.00 66.41 66.03 2dj0 h THR 71 Cb 0.90 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 2dj0 h THR 71 CO 1.41 0.01 -0.14 0.44 -0.25 0.00 0.00 175.52 176.99 2dj0 h ASP 72 N 0.00 0.69 0.24 5.36 3.32 -1.90 -3.04 116.42 121.09 2dj0 h ASP 72 Ca -0.00 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 2dj0 h ASP 72 Cb 0.10 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2dj0 h ASP 72 CO 0.00 0.94 -0.11 0.58 -1.72 0.00 0.00 179.24 178.93 2dj0 h VAL 73 N 0.44 0.00 -0.29 -1.35 2.07 -1.74 -2.86 116.25 112.51 2dj0 h VAL 73 Ca 0.07 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.39 2dj0 h VAL 73 Cb 0.67 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 2dj0 h VAL 73 CO 0.05 0.00 -0.17 -1.54 0.02 0.00 0.00 177.57 175.92 2dj0 n SER 74 N -3.49 -0.31 -0.33 0.57 3.41 -1.08 0.18 113.62 112.57 2dj0 n SER 74 Ca -0.04 0.96 0.19 0.00 -0.26 0.00 0.00 58.87 59.72 2dj0 n SER 74 Cb 0.13 -0.29 0.43 0.00 -0.26 0.00 0.00 64.21 64.22 2dj0 n SER 74 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2dj0 h THR 75 N 0.00 0.56 -0.57 6.66 2.02 -1.67 0.21 112.91 120.12 2dj0 h THR 75 Ca 0.05 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 2dj0 h THR 75 Cb 0.12 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 2dj0 h THR 75 CO -0.28 0.10 0.21 -0.09 0.37 0.00 0.00 175.52 175.83 2dj0 h ARG 76 N 0.53 0.87 -1.00 6.66 2.43 0.22 -2.63 114.38 121.45 2dj0 h ARG 76 Ca 0.61 -0.17 -0.49 0.00 -0.81 0.00 0.00 59.98 59.12 2dj0 h ARG 76 Cb 1.29 -0.14 -0.29 0.00 -0.42 0.00 0.00 29.97 30.41 2dj0 h ARG 76 CO -0.38 0.76 0.62 0.66 -1.51 0.00 0.00 179.97 180.12 2dj0 n TYR 77 N -4.47 2.91 -4.25 2.20 4.02 0.46 -4.91 117.16 113.12 2dj0 n TYR 77 Ca 0.03 -1.77 -0.33 0.00 -0.01 0.00 0.00 57.90 55.81 2dj0 n TYR 77 Cb 0.18 -0.91 -0.09 0.00 -0.02 0.00 0.00 39.34 38.50 2dj0 n TYR 77 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2dj0 n LYS 78 N -1.05 -0.86 -3.45 -0.72 4.01 -0.09 -4.86 118.16 111.14 2dj0 n LYS 78 Ca 0.57 0.10 -0.43 0.00 -0.51 0.00 0.00 58.31 58.04 2dj0 n LYS 78 Cb 1.61 -3.75 -0.06 0.00 -0.51 0.00 0.00 35.03 32.33 2dj0 n LYS 78 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2dj0 s VAL 79 N -3.80 4.85 0.11 -0.18 1.01 0.41 -4.99 120.40 117.82 2dj0 s VAL 79 Ca 0.32 -2.22 -0.35 0.00 0.00 0.00 0.00 61.98 59.72 2dj0 s VAL 79 Cb -0.19 -4.08 -0.15 0.00 0.00 0.00 0.00 36.38 31.96 2dj0 s VAL 79 CO 0.94 -0.91 1.48 -1.20 0.00 0.00 0.00 175.10 175.41 2dj0 n SER 80 N 4.34 2.42 -1.66 3.32 7.64 -1.26 -4.43 113.62 123.99 2dj0 n SER 80 Ca 0.02 1.10 -0.13 0.00 1.01 0.00 0.00 58.87 60.87 2dj0 n SER 80 Cb 0.42 -1.31 0.20 0.00 -1.01 0.00 0.00 64.21 62.51 2dj0 n SER 80 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2dj0 n THR 81 N 3.07 2.85 -2.16 0.44 -2.24 -1.26 -4.73 114.28 110.24 2dj0 n THR 81 Ca 0.18 -2.34 -0.33 0.00 -2.27 0.00 0.00 64.05 59.29 2dj0 n THR 81 Cb 0.24 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 2dj0 n THR 81 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2dj0 s SER 82 N -1.94 5.88 0.24 3.42 0.01 -1.26 -4.97 113.70 115.09 2dj0 s SER 82 Ca 0.50 1.87 0.01 0.00 1.31 0.00 0.00 55.95 59.65 2dj0 s SER 82 Cb 0.44 -2.54 0.28 0.00 0.21 0.00 0.00 66.02 64.41 2dj0 s SER 82 CO 0.05 -1.10 1.61 1.55 0.41 0.00 0.00 173.24 175.77 2dj0 h PRO 83 N 0.72 0.43 -2.01 12.44 0.13 -2.00 -3.24 132.00 138.47 2dj0 h PRO 83 Ca -0.48 -0.22 -0.74 0.00 -0.87 0.00 0.00 66.00 63.69 2dj0 h PRO 83 Cb 1.22 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 32.06 2dj0 h PRO 83 CO 0.58 0.79 0.67 1.28 -0.23 0.00 0.00 178.00 181.09 2dj0 n LEU 84 N -4.00 6.86 -4.54 1.56 7.99 -1.26 -4.98 117.00 118.62 2dj0 n LEU 84 Ca -0.02 -5.10 -0.25 0.00 -0.01 0.00 0.00 56.01 50.63 2dj0 n LEU 84 Cb 0.52 -0.97 -0.10 0.00 -0.11 0.00 0.00 43.42 42.77 2dj0 n LEU 84 CO 0.44 1.95 -0.26 0.28 -1.51 0.00 0.00 177.39 178.29 2dj0 s THR 85 N -4.92 1.28 -0.34 -5.08 -1.32 -1.23 -5.08 115.64 98.96 2dj0 s THR 85 Ca 0.48 -2.00 0.11 0.00 -1.21 0.00 0.00 61.69 59.07 2dj0 s THR 85 Cb 0.36 -2.70 0.45 0.00 -1.51 0.00 0.00 72.50 69.11 2dj0 s THR 85 CO -0.29 0.00 1.10 0.29 -2.21 0.00 0.00 174.62 173.51 2dj0 n LYS 86 N -0.86 2.78 -0.83 7.08 4.76 -1.26 -4.78 118.16 125.05 2dj0 n LYS 86 Ca -0.06 -4.01 -0.01 0.00 -2.87 0.00 0.00 58.31 51.37 2dj0 n LYS 86 Cb 0.66 -1.97 0.18 0.00 -1.84 0.00 0.00 35.03 32.07 2dj0 n LYS 86 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2dj0 n GLN 87 N -0.49 1.90 -3.66 1.97 1.13 -1.26 -4.77 117.38 112.21 2dj0 n GLN 87 Ca 0.30 -3.38 -0.07 0.00 -1.94 0.00 0.00 57.00 51.90 2dj0 n GLN 87 Cb 0.81 -1.76 -0.08 0.00 0.11 0.00 0.00 30.24 29.32 2dj0 n GLN 87 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2dj0 s LEU 88 N -3.30 -0.66 0.00 1.08 1.43 -1.26 -4.25 118.68 111.72 2dj0 s LEU 88 Ca 0.42 1.20 -0.13 0.00 -1.03 0.00 0.00 54.13 54.58 2dj0 s LEU 88 Cb 0.39 1.77 0.20 0.00 0.03 0.00 0.00 46.19 48.57 2dj0 s LEU 88 CO -0.04 -0.22 0.71 -0.81 0.23 0.00 0.00 176.35 176.22 2dj0 n PRO 89 N 4.85 -2.42 -3.60 1.29 -0.04 -1.26 -4.80 135.00 129.02 2dj0 n PRO 89 Ca -0.16 -1.13 -0.08 0.00 -0.04 0.00 0.00 63.50 62.08 2dj0 n PRO 89 Cb 0.53 -1.07 -0.09 0.00 -0.04 0.00 0.00 33.50 32.83 2dj0 n PRO 89 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2dj0 s THR 90 N -2.28 -0.65 -0.16 0.52 2.01 -0.21 -4.69 115.64 110.17 2dj0 s THR 90 Ca 0.46 0.13 -0.07 0.00 0.31 0.00 0.00 61.69 62.52 2dj0 s THR 90 Cb -0.05 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 2dj0 s THR 90 CO 0.35 0.04 0.08 -0.76 -0.69 0.00 0.00 174.62 173.64 2dj0 s LEU 91 N 2.61 3.95 -0.02 4.42 1.43 -0.99 -0.88 118.68 129.20 2dj0 s LEU 91 Ca 0.01 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 2dj0 s LEU 91 Cb -0.13 -1.98 0.03 0.00 0.03 0.00 0.00 46.19 44.14 2dj0 s LEU 91 CO -0.13 0.25 0.03 -0.63 0.23 0.00 0.00 176.35 176.09 2dj0 s ILE 92 N -0.08 -0.05 -0.18 -0.59 1.01 -1.17 -1.77 121.20 118.38 2dj0 s ILE 92 Ca 0.07 0.19 -0.17 0.00 0.00 0.00 0.00 60.65 60.75 2dj0 s ILE 92 Cb -0.12 -0.07 -0.04 0.00 0.01 0.00 0.00 42.46 42.24 2dj0 s ILE 92 CO 0.01 0.08 0.44 -0.22 0.00 0.00 0.00 174.94 175.25 2dj0 s LEU 93 N 0.96 4.19 -0.28 2.97 2.96 -1.00 -3.25 118.68 125.22 2dj0 s LEU 93 Ca -0.08 0.62 -0.08 0.00 -0.22 0.00 0.00 54.13 54.38 2dj0 s LEU 93 Cb -0.12 -2.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 2dj0 s LEU 93 CO -0.03 -0.07 0.09 -0.36 -1.32 0.00 0.00 176.35 174.66 2dj0 s PHE 94 N 1.18 3.13 -0.61 5.38 0.08 -0.73 -2.06 117.98 124.35 2dj0 s PHE 94 Ca 0.22 -0.73 -0.02 0.00 0.12 0.00 0.00 56.93 56.52 2dj0 s PHE 94 Cb -0.15 -2.27 0.16 0.00 -0.57 0.00 0.00 43.02 40.19 2dj0 s PHE 94 CO 0.09 -0.49 0.41 -0.65 -0.10 0.00 0.00 175.22 174.48 2dj0 s GLN 95 N 1.56 2.48 -0.05 0.44 -0.21 -1.15 -2.15 119.66 120.57 2dj0 s GLN 95 Ca 0.04 -2.56 -0.00 0.00 0.02 0.00 0.00 55.36 52.86 2dj0 s GLN 95 Cb -0.16 -3.66 0.00 0.00 1.00 0.00 0.00 33.01 30.18 2dj0 s GLN 95 CO 0.03 -1.16 0.04 0.41 -2.12 0.00 0.00 175.29 172.49 2dj0 n GLY 96 N 3.40 0.70 2.29 3.09 0.00 -0.75 -3.74 105.19 110.19 2dj0 n GLY 96 Ca 0.08 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 2dj0 n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dj0 n GLY 97 N -0.74 0.36 3.56 -0.02 0.00 -1.25 -4.87 105.19 102.23 2dj0 n GLY 97 Ca -0.00 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 2dj0 n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dj0 s LYS 98 N -4.12 1.92 -0.59 1.61 1.02 -1.25 -5.06 119.74 113.27 2dj0 s LYS 98 Ca 0.00 -2.16 -0.05 0.00 0.02 0.00 0.00 55.97 53.78 2dj0 s LYS 98 Cb 0.00 -0.94 0.15 0.00 -0.52 0.00 0.00 37.83 36.52 2dj0 s LYS 98 CO 0.00 -0.35 0.43 -2.00 -0.92 0.00 0.00 175.35 172.51 2dj0 s GLU 99 N -3.79 2.58 0.01 1.68 2.12 -1.26 -2.95 118.70 117.09 2dj0 s GLU 99 Ca 0.24 -2.30 -0.25 0.00 0.36 0.00 0.00 54.97 53.02 2dj0 s GLU 99 Cb 0.04 -3.82 -0.16 0.00 0.26 0.00 0.00 34.13 30.45 2dj0 s GLU 99 CO 0.12 -1.17 1.25 0.00 -0.54 0.00 0.00 175.26 174.92 2dj0 h ALA 100 N 7.49 -0.49 -2.68 6.30 0.00 -1.77 -3.48 119.26 124.63 2dj0 h ALA 100 Ca -0.05 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2dj0 h ALA 100 Cb 1.00 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 2dj0 h ALA 100 CO 0.74 -0.62 -0.12 0.00 0.00 0.00 0.00 179.25 179.25 2dj0 s MET 101 N -4.76 1.00 -0.04 0.00 0.00 -1.25 -5.04 119.30 109.22 2dj0 s MET 101 Ca -0.14 -0.65 -0.05 0.00 0.00 0.00 0.00 55.69 54.84 2dj0 s MET 101 Cb 0.02 0.44 0.01 0.00 0.00 0.00 0.00 34.83 35.30 2dj0 s MET 101 CO 0.53 -0.37 0.14 -0.98 0.00 0.00 0.00 175.02 174.34 2dj0 s ARG 102 N -3.48 0.24 0.01 3.16 1.70 -1.26 -2.36 118.95 116.96 2dj0 s ARG 102 Ca 0.01 0.04 0.00 0.00 -0.47 0.00 0.00 55.73 55.32 2dj0 s ARG 102 Cb 0.01 0.11 -0.01 0.00 -0.57 0.00 0.00 34.95 34.49 2dj0 s ARG 102 CO -0.10 -0.04 -0.02 1.03 -1.08 0.00 0.00 175.30 175.09 2dj0 s ARG 103 N -0.29 0.20 0.62 3.89 1.81 -0.73 -3.63 118.95 120.83 2dj0 s ARG 103 Ca -0.04 -0.29 -0.16 0.00 -1.72 0.00 0.00 55.73 53.52 2dj0 s ARG 103 Cb -0.03 -0.04 -0.02 0.00 -0.45 0.00 0.00 34.95 34.41 2dj0 s ARG 103 CO 0.00 0.00 1.12 -1.25 -0.68 0.00 0.00 175.30 174.49 2dj0 s PRO 104 N -0.62 2.99 0.38 3.54 0.04 -1.26 -2.35 135.00 137.72 2dj0 s PRO 104 Ca -0.06 1.46 -0.24 0.00 0.04 0.00 0.00 61.00 62.20 2dj0 s PRO 104 Cb -0.04 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 2dj0 s PRO 104 CO -0.00 -1.11 0.99 -0.65 0.04 0.00 0.00 177.00 176.27 2dj0 s GLN 105 N -3.83 4.33 -0.25 4.56 -1.52 -1.24 -4.72 119.66 116.99 2dj0 s GLN 105 Ca 0.69 1.36 -0.18 0.00 -1.95 0.00 0.00 55.36 55.28 2dj0 s GLN 105 Cb -0.22 -2.56 -0.03 0.00 -0.22 0.00 0.00 33.01 29.99 2dj0 s GLN 105 CO 0.37 0.03 0.54 0.42 -0.25 0.00 0.00 175.29 176.40 2dj0 s ILE 106 N -1.75 5.05 1.16 1.08 -1.09 -1.26 -0.96 121.20 123.43 2dj0 s ILE 106 Ca 0.56 0.95 -0.15 0.00 -2.23 0.00 0.00 60.65 59.78 2dj0 s ILE 106 Cb -0.18 -3.85 0.27 0.00 -1.58 0.00 0.00 42.46 37.12 2dj0 s ILE 106 CO 0.23 0.08 1.04 -0.62 -1.23 0.00 0.00 174.94 174.45 2dj0 s ASP 107 N 1.48 1.13 0.00 3.58 2.15 0.95 -4.80 116.67 121.16 2dj0 s ASP 107 Ca 0.23 1.20 0.00 0.00 0.43 0.00 0.00 52.55 54.40 2dj0 s ASP 107 Cb -0.16 -1.84 0.00 0.00 -0.30 0.00 0.00 42.92 40.63 2dj0 s ASP 107 CO 0.09 -4.06 0.88 1.17 -0.17 0.00 0.00 175.17 173.08 2dj0 n LYS 108 N -4.79 0.00 -0.23 4.34 0.00 -1.26 -1.18 118.16 115.03 2dj0 n LYS 108 Ca 0.06 0.76 0.09 0.00 0.00 0.00 0.00 58.31 59.22 2dj0 n LYS 108 Cb 0.57 -1.38 0.17 0.00 0.00 0.00 0.00 35.03 34.39 2dj0 n LYS 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2dj0 n LYS 109 N -2.32 -0.05 0.00 1.64 5.02 -1.26 -4.70 118.16 116.48 2dj0 n LYS 109 Ca 0.00 0.99 0.00 0.00 -2.02 0.00 0.00 58.31 57.28 2dj0 n LYS 109 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 2dj0 n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dj0 n GLY 110 N -1.35 1.04 3.44 0.72 0.00 -0.33 -5.16 105.19 103.56 2dj0 n GLY 110 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 2dj0 n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dj0 s ARG 111 N 0.00 1.58 0.17 1.61 1.81 -1.25 -4.87 118.95 118.00 2dj0 s ARG 111 Ca 0.00 -1.68 -0.30 0.00 -1.72 0.00 0.00 55.73 52.03 2dj0 s ARG 111 Cb 0.00 -1.67 -0.08 0.00 -0.45 0.00 0.00 34.95 32.75 2dj0 s ARG 111 CO 0.00 0.32 1.11 0.00 -0.68 0.00 0.00 175.30 176.05 2dj0 s ALA 112 N -2.39 3.38 0.07 2.13 0.00 -1.26 -0.04 121.76 123.65 2dj0 s ALA 112 Ca 0.26 0.83 -0.26 0.00 0.00 0.00 0.00 51.96 52.80 2dj0 s ALA 112 Cb -0.05 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 2dj0 s ALA 112 CO 0.12 -0.24 0.79 0.08 0.00 0.00 0.00 175.76 176.52 2dj0 s VAL 113 N -0.17 4.64 -1.02 0.00 1.01 -0.14 -4.88 120.40 119.85 2dj0 s VAL 113 Ca 0.50 1.70 -0.24 0.00 0.00 0.00 0.00 61.98 63.94 2dj0 s VAL 113 Cb -0.30 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 31.85 2dj0 s VAL 113 CO 0.35 0.38 2.00 -0.44 0.00 0.00 0.00 175.10 177.40 2dj0 s SER 114 N -0.23 4.81 -0.01 3.32 0.01 -1.26 -4.62 113.70 115.70 2dj0 s SER 114 Ca 0.39 -1.02 -0.03 0.00 1.31 0.00 0.00 55.95 56.60 2dj0 s SER 114 Cb -0.21 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.40 2dj0 s SER 114 CO 0.24 -3.19 0.19 0.86 0.41 0.00 0.00 173.24 171.76 2dj0 s TRP 115 N 11.60 3.55 0.02 2.43 -0.00 -1.26 -5.07 118.94 130.22 2dj0 s TRP 115 Ca 0.73 0.38 -0.30 0.00 -0.00 0.00 0.00 56.10 56.91 2dj0 s TRP 115 Cb -0.05 -1.85 -0.05 0.00 -0.00 0.00 0.00 33.47 31.52 2dj0 s TRP 115 CO 0.07 0.65 1.20 0.99 -0.00 0.00 0.00 176.95 179.86 2dj0 s THR 116 N -1.31 4.11 -0.90 5.86 2.01 -1.26 -4.98 115.64 119.17 2dj0 s THR 116 Ca 0.27 1.50 -0.14 0.00 0.31 0.00 0.00 61.69 63.63 2dj0 s THR 116 Cb -0.13 -3.96 0.22 0.00 0.01 0.00 0.00 72.50 68.64 2dj0 s THR 116 CO 0.18 0.08 0.88 -0.36 -0.69 0.00 0.00 174.62 174.71 2dj0 s PHE 117 N 1.44 3.78 0.27 4.92 0.08 -1.26 -4.77 117.98 122.44 2dj0 s PHE 117 Ca 0.58 -2.06 0.02 0.00 0.12 0.00 0.00 56.93 55.59 2dj0 s PHE 117 Cb -0.28 -3.88 -0.04 0.00 -0.57 0.00 0.00 43.02 38.24 2dj0 s PHE 117 CO 0.27 -1.05 0.13 -1.54 -0.10 0.00 0.00 175.22 172.94 2dj0 s SER 118 N 2.18 1.13 0.01 1.36 1.04 -1.26 -5.03 113.70 113.13 2dj0 s SER 118 Ca 0.22 -1.46 -0.15 0.00 0.48 0.00 0.00 55.95 55.04 2dj0 s SER 118 Cb -0.09 0.30 -0.08 0.00 0.10 0.00 0.00 66.02 66.24 2dj0 s SER 118 CO -0.09 -0.82 0.98 -0.08 0.98 0.00 0.00 173.24 174.22 2dj0 h GLU 119 N 2.36 -0.52 -0.76 4.02 4.81 -1.97 -1.62 114.58 120.89 2dj0 h GLU 119 Ca -0.36 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.04 2dj0 h GLU 119 Cb 1.25 0.12 -0.14 0.00 0.63 0.00 0.00 28.75 30.61 2dj0 h GLU 119 CO 0.55 -0.35 -0.33 1.05 -0.73 0.00 0.00 179.01 179.21 2dj0 h GLU 120 N -0.67 -0.08 0.22 1.92 4.11 -1.99 -0.40 114.58 117.70 2dj0 h GLU 120 Ca -0.06 0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 2dj0 h GLU 120 Cb 0.42 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2dj0 h GLU 120 CO 0.09 -0.05 -0.27 -0.91 0.07 0.00 0.00 179.01 177.93 2dj0 h ASN 121 N -0.08 -0.77 -0.93 3.06 4.21 -1.91 0.11 115.58 119.27 2dj0 h ASN 121 Ca 0.30 0.07 0.22 0.00 1.21 0.00 0.00 56.30 58.10 2dj0 h ASN 121 Cb 0.57 0.26 -0.17 0.00 -1.12 0.00 0.00 38.32 37.86 2dj0 h ASN 121 CO -0.81 -0.34 -0.07 0.58 -1.29 0.00 0.00 177.43 175.51 2dj0 h VAL 122 N -0.50 0.09 -0.70 2.81 2.07 -0.57 0.91 116.25 120.36 2dj0 h VAL 122 Ca -0.03 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 2dj0 h VAL 122 Cb 0.45 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 2dj0 h VAL 122 CO -0.06 0.00 0.22 0.40 0.02 0.00 0.00 177.57 178.15 2dj0 h ILE 123 N 0.02 1.25 0.11 4.57 2.04 -0.71 -2.02 117.51 122.77 2dj0 h ILE 123 Ca 0.52 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2dj0 h ILE 123 Cb 0.95 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2dj0 h ILE 123 CO -0.89 0.34 -0.05 -0.09 0.00 0.00 0.00 178.15 177.46 2dj0 h ARG 124 N 1.04 -0.14 -0.93 2.37 9.65 0.32 0.49 114.38 127.17 2dj0 h ARG 124 Ca 0.23 0.01 0.12 0.00 -1.10 0.00 0.00 59.98 59.24 2dj0 h ARG 124 Cb 0.29 0.03 -0.14 0.00 -1.39 0.00 0.00 29.97 28.76 2dj0 h ARG 124 CO -0.01 -0.09 -0.46 0.93 2.80 0.00 0.00 179.97 183.14 2dj0 h GLU 125 N -0.35 -0.04 0.00 0.20 4.39 0.04 0.67 114.58 119.49 2dj0 h GLU 125 Ca -0.01 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 2dj0 h GLU 125 Cb 0.11 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2dj0 h GLU 125 CO 0.02 -0.02 -0.37 0.74 -1.16 0.00 0.00 179.01 178.22 2dj0 h PHE 126 N -0.04 0.00 -5.17 4.33 0.04 -1.50 -3.47 116.94 111.13 2dj0 h PHE 126 Ca 0.26 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.67 2dj0 h PHE 126 Cb 0.53 0.00 0.12 0.00 2.20 0.00 0.00 35.95 38.80 2dj0 h PHE 126 CO -0.89 0.37 -0.60 0.09 -0.60 0.00 0.00 178.31 176.68 2dj0 n ASN 127 N -3.37 -5.92 0.08 2.17 4.13 0.23 -4.92 115.26 107.67 2dj0 n ASN 127 Ca 0.01 -0.45 -0.12 0.00 1.68 0.00 0.00 54.58 55.70 2dj0 n ASN 127 Cb 0.57 -4.56 -0.05 0.00 -1.54 0.00 0.00 39.78 34.20 2dj0 n ASN 127 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2dj0 h LEU 128 N -2.27 -0.76 -0.82 3.41 3.38 -1.60 -2.11 115.31 114.53 2dj0 h LEU 128 Ca -0.51 0.10 0.23 0.00 0.09 0.00 0.00 57.88 57.79 2dj0 h LEU 128 Cb 1.33 0.30 -0.15 0.00 0.09 0.00 0.00 40.66 42.23 2dj0 h LEU 128 CO 0.50 -0.34 0.04 0.59 0.09 0.00 0.00 178.44 179.33 2dj0 n ASN 129 N -5.38 -0.07 -0.09 -0.43 3.02 -1.26 0.22 115.26 111.27 2dj0 n ASN 129 Ca -0.06 1.39 -0.12 0.00 -0.03 0.00 0.00 54.58 55.76 2dj0 n ASN 129 Cb 0.29 -0.52 -0.00 0.00 -0.61 0.00 0.00 39.78 38.94 2dj0 n ASN 129 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2dj0 h GLU 130 N 0.00 0.86 0.64 3.52 4.39 -1.74 -3.28 114.58 118.98 2dj0 h GLU 130 Ca 0.51 -0.47 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 2dj0 h GLU 130 Cb 1.07 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2dj0 h GLU 130 CO -0.76 1.11 -0.36 -0.07 -1.16 0.00 0.00 179.01 177.76 2dj0 h LEU 131 N 0.70 -0.90-10.04 1.33 3.38 0.32 -3.43 115.31 106.67 2dj0 h LEU 131 Ca 0.05 0.05 -0.53 0.00 0.09 0.00 0.00 57.88 57.54 2dj0 h LEU 131 Cb 0.99 0.25 0.21 0.00 0.09 0.00 0.00 40.66 42.20 2dj0 h LEU 131 CO 0.10 -0.58 -0.14 -0.24 0.09 0.00 0.00 178.44 177.67 2dj0 n SER 132 N -5.51 -0.72 -4.58 -0.43 2.88 -0.11 -5.01 113.62 100.13 2dj0 n SER 132 Ca -0.13 0.39 -0.25 0.00 -1.33 0.00 0.00 58.87 57.55 2dj0 n SER 132 Cb 0.40 -1.36 0.12 0.00 -0.75 0.00 0.00 64.21 62.62 2dj0 n SER 132 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dj0 s GLY 133 N -2.31 1.76 0.00 0.46 0.00 -1.26 -4.95 107.32 101.02 2dj0 s GLY 133 Ca 0.63 -1.47 0.15 0.00 0.00 0.00 0.00 44.72 44.04 2dj0 s GLY 133 CO 0.62 -0.88 1.36 -1.55 0.00 0.00 0.00 173.10 172.65 2dj0 n PRO 134 N -3.06 0.42 -1.36 2.90 -0.04 -1.26 -4.87 135.00 127.73 2dj0 n PRO 134 Ca 0.14 0.04 -0.44 0.00 -0.04 0.00 0.00 63.50 63.19 2dj0 n PRO 134 Cb 0.60 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 2dj0 n PRO 134 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dj0 n SER 135 N -1.07 -2.00 -4.67 3.54 7.64 -1.26 -4.95 113.62 110.84 2dj0 n SER 135 Ca 0.11 0.94 -0.33 0.00 1.01 0.00 0.00 58.87 60.60 2dj0 n SER 135 Cb 0.07 -0.94 -0.09 0.00 -1.01 0.00 0.00 64.21 62.24 2dj0 n SER 135 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dj0 s SER 136 N -0.98 5.03 0.00 6.43 1.04 -1.26 -5.21 113.70 118.74 2dj0 s SER 136 Ca 0.61 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 57.01 2dj0 s SER 136 Cb -0.74 -1.29 0.00 0.00 0.10 0.00 0.00 66.02 64.09 2dj0 s SER 136 CO 0.60 0.28 0.23 0.61 0.98 0.00 0.00 173.24 175.94