#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 5.80 -0.22 1.61 0.01 -1.26 -5.01 113.70 114.63 2dj0 s SER 2 Ca 0.00 -2.51 -0.09 0.00 1.31 0.00 0.00 55.95 54.66 2dj0 s SER 2 Cb 0.00 -2.00 0.09 0.00 0.21 0.00 0.00 66.02 64.32 2dj0 s SER 2 CO 0.00 -0.53 0.49 -0.55 0.41 0.00 0.00 173.24 173.07 2dj0 s SER 3 N 1.71 -0.56 0.00 2.44 0.15 -1.26 -5.14 113.70 111.04 2dj0 s SER 3 Ca 0.14 1.15 0.00 0.00 0.70 0.00 0.00 55.95 57.93 2dj0 s SER 3 Cb -0.19 1.43 0.00 0.00 -1.71 0.00 0.00 66.02 65.54 2dj0 s SER 3 CO -0.04 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2dj0 n GLY 4 N 5.05 -0.83 3.66 9.45 0.00 -1.26 -4.78 105.19 116.48 2dj0 n GLY 4 Ca -0.14 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.41 2dj0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dj0 n SER 5 N 0.00 2.86 -0.03 1.61 7.64 -1.26 -4.91 113.62 119.53 2dj0 n SER 5 Ca 0.00 1.09 -0.16 0.00 1.01 0.00 0.00 58.87 60.81 2dj0 n SER 5 Cb 0.00 -1.39 -0.13 0.00 -1.01 0.00 0.00 64.21 61.68 2dj0 n SER 5 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dj0 h SER 6 N 5.76 0.15 -0.59 6.43 4.64 -2.04 -3.44 113.55 124.47 2dj0 h SER 6 Ca -0.45 -0.96 -0.51 0.00 -0.47 0.00 0.00 61.79 59.40 2dj0 h SER 6 Cb 1.27 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 2dj0 h SER 6 CO 0.87 1.10 1.69 0.61 -0.87 0.00 0.00 176.83 180.22 2dj0 n GLY 7 N 1.55 -0.20 3.05 -0.77 0.00 -1.26 -4.89 105.19 102.67 2dj0 n GLY 7 Ca -0.11 0.98 -0.30 0.00 0.00 0.00 0.00 46.02 46.59 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 9.86 2.24 0.01 1.61 1.13 -1.26 -5.11 117.35 125.83 2dj0 s TYR 8 Ca 1.22 -1.23 0.07 0.00 -1.41 0.00 0.00 57.07 55.72 2dj0 s TYR 8 Cb -0.89 -1.62 -0.03 0.00 -1.10 0.00 0.00 41.96 38.32 2dj0 s TYR 8 CO 0.42 -0.65 -0.19 0.42 -2.51 0.00 0.00 175.55 173.05 2dj0 s ILE 9 N 1.32 2.71 -0.90 -3.49 1.01 -1.26 -4.82 121.20 115.76 2dj0 s ILE 9 Ca 0.02 -1.08 -0.23 0.00 0.00 0.00 0.00 60.65 59.36 2dj0 s ILE 9 Cb -0.13 -2.09 0.07 0.00 0.01 0.00 0.00 42.46 40.32 2dj0 s ILE 9 CO -0.09 0.43 1.28 -0.75 0.00 0.00 0.00 174.94 175.81 2dj0 s LYS 10 N -1.14 3.46 1.00 2.79 2.47 -0.97 -4.90 119.74 122.45 2dj0 s LYS 10 Ca 0.13 -1.08 -0.12 0.00 -1.56 0.00 0.00 55.97 53.34 2dj0 s LYS 10 Cb -0.10 -4.89 0.19 0.00 -1.46 0.00 0.00 37.83 31.57 2dj0 s LYS 10 CO 0.03 -2.04 1.08 0.71 0.16 0.00 0.00 175.35 175.29 2dj0 s TYR 11 N 4.44 1.80 0.06 4.03 2.02 -1.26 -3.44 117.35 124.99 2dj0 s TYR 11 Ca 0.38 1.34 -0.11 0.00 -0.37 0.00 0.00 57.07 58.31 2dj0 s TYR 11 Cb -0.05 -3.18 0.01 0.00 -0.40 0.00 0.00 41.96 38.34 2dj0 s TYR 11 CO -0.03 -3.05 0.24 -0.06 -1.57 0.00 0.00 175.55 171.08 2dj0 s PHE 12 N -2.70 0.02 0.59 2.71 0.08 -1.24 -4.87 117.98 112.58 2dj0 s PHE 12 Ca 0.66 -0.29 0.10 0.00 0.12 0.00 0.00 56.93 57.51 2dj0 s PHE 12 Cb -0.22 0.02 0.09 0.00 -0.57 0.00 0.00 43.02 42.34 2dj0 s PHE 12 CO 0.60 -0.51 0.80 -0.80 -0.10 0.00 0.00 175.22 175.21 2dj0 s ASN 13 N -2.38 5.03 0.47 1.36 -0.87 -1.26 -4.78 114.94 112.50 2dj0 s ASN 13 Ca -0.01 -0.91 0.26 0.00 -1.57 0.00 0.00 52.86 50.62 2dj0 s ASN 13 Cb 0.01 0.41 1.08 0.00 -0.02 0.00 0.00 41.25 42.73 2dj0 s ASN 13 CO -0.07 -1.40 1.89 -2.24 -2.57 0.00 0.00 177.10 172.72 2dj0 h ASP 14 N 0.15 0.00 0.00 -1.22 2.03 -2.00 -2.08 116.42 113.30 2dj0 h ASP 14 Ca -0.29 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 55.79 2dj0 h ASP 14 Cb 1.29 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.76 2dj0 h ASP 14 CO 0.41 0.18 -1.68 1.17 -1.03 0.00 0.00 179.24 178.30 2dj0 n LYS 15 N -3.40 0.49 -0.29 4.15 3.00 -1.26 -4.58 118.16 116.27 2dj0 n LYS 15 Ca -0.00 0.21 0.05 0.00 -0.00 0.00 0.00 58.31 58.57 2dj0 n LYS 15 Cb 0.38 -1.34 0.20 0.00 0.00 0.00 0.00 35.03 34.27 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 -0.87 0.78 -0.93 3.15 1.35 -1.96 0.13 112.91 114.55 2dj0 h THR 16 Ca -0.33 -0.23 0.27 0.00 -0.55 0.00 0.00 66.41 65.57 2dj0 h THR 16 Cb 1.23 0.07 -0.04 0.00 -1.73 0.00 0.00 68.15 67.68 2dj0 h THR 16 CO -0.20 0.12 0.98 -0.29 -0.25 0.00 0.00 175.52 175.88 2dj0 h ILE 17 N 0.66 0.14 0.00 6.82 2.10 -1.62 0.19 117.51 125.79 2dj0 h ILE 17 Ca 0.43 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.37 2dj0 h ILE 17 Cb 0.55 0.23 0.00 0.00 -1.09 0.00 0.00 36.82 36.50 2dj0 h ILE 17 CO -0.32 0.00 -0.18 0.44 -1.08 0.00 0.00 178.15 177.01 2dj0 h ASP 18 N 0.00 0.00 -0.93 2.19 3.32 -1.23 -3.16 116.42 116.62 2dj0 h ASP 18 Ca 0.44 0.00 0.27 0.00 0.02 0.00 0.00 57.03 57.76 2dj0 h ASP 18 Cb 2.40 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 41.79 2dj0 h ASP 18 CO -0.00 0.37 0.22 1.05 -1.72 0.00 0.00 179.24 179.15 2dj0 h GLU 19 N -0.56 0.13 -0.59 3.56 4.11 -1.25 0.65 114.58 120.62 2dj0 h GLU 19 Ca 0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 2dj0 h GLU 19 Cb 0.18 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2dj0 h GLU 19 CO 0.00 0.08 0.19 1.49 0.07 0.00 0.00 179.01 180.85 2dj0 h GLU 20 N 0.13 0.91 0.00 1.06 4.57 -1.18 -1.45 114.58 118.61 2dj0 h GLU 20 Ca 0.60 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 2dj0 h GLU 20 Cb 1.29 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2dj0 h GLU 20 CO -0.74 0.81 0.00 1.28 -1.18 0.00 0.00 179.01 179.18 2dj0 n LEU 21 N -4.42 0.61 -0.01 1.64 4.77 0.19 -1.30 117.00 118.47 2dj0 n LEU 21 Ca 0.03 0.61 -0.09 0.00 -0.03 0.00 0.00 56.01 56.54 2dj0 n LEU 21 Cb 0.20 -0.49 -0.14 0.00 -2.33 0.00 0.00 43.42 40.66 2dj0 n LEU 21 CO 0.40 -0.39 -0.42 -0.33 -1.33 0.00 0.00 177.39 175.31 2dj0 h GLU 22 N 0.00 0.01 0.00 3.23 4.39 0.26 -2.85 114.58 119.63 2dj0 h GLU 22 Ca 0.00 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 2dj0 h GLU 22 Cb 0.47 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2dj0 h GLU 22 CO 0.00 0.59 -1.21 2.89 -1.16 0.00 0.00 179.01 180.12 2dj0 n ARG 23 N -3.10 0.61 -0.48 2.33 1.85 -0.62 -3.99 116.66 113.26 2dj0 n ARG 23 Ca -0.15 0.12 0.06 0.00 -1.00 0.00 0.00 57.85 56.89 2dj0 n ARG 23 Cb 1.03 -1.80 0.24 0.00 -1.05 0.00 0.00 32.46 30.89 2dj0 n ARG 23 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2dj0 n ASP 24 N -2.71 3.54 -0.05 2.89 8.00 -0.42 -4.78 116.55 123.02 2dj0 n ASP 24 Ca -0.03 -3.15 -0.07 0.00 0.71 0.00 0.00 54.79 52.24 2dj0 n ASP 24 Cb 0.64 -0.55 -0.05 0.00 -0.02 0.00 0.00 41.12 41.14 2dj0 n ASP 24 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2dj0 h LYS 25 N 1.52 -0.21 -1.25 -1.24 1.79 -1.63 0.95 116.57 116.50 2dj0 h LYS 25 Ca 0.04 0.01 0.45 0.00 -2.18 0.00 0.00 60.65 58.97 2dj0 h LYS 25 Cb 1.46 0.05 -0.15 0.00 -1.58 0.00 0.00 32.23 32.01 2dj0 h LYS 25 CO 0.24 -0.14 0.77 0.07 -1.08 0.00 0.00 179.45 179.31 2dj0 h ARG 26 N -0.22 0.03 -6.36 3.15 0.11 -1.89 -3.13 114.38 106.07 2dj0 h ARG 26 Ca 0.03 -0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.56 2dj0 h ARG 26 Cb 0.31 -0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.34 2dj0 h ARG 26 CO -0.28 0.02 -0.01 0.08 0.10 0.00 0.00 179.97 179.89 2dj0 s VAL 27 N -5.36 4.72 0.31 0.08 1.01 0.33 -4.79 120.40 116.70 2dj0 s VAL 27 Ca -0.08 1.11 -0.27 0.00 0.00 0.00 0.00 61.98 62.74 2dj0 s VAL 27 Cb 0.32 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 2dj0 s VAL 27 CO 0.81 0.35 0.98 -0.89 0.00 0.00 0.00 175.10 176.36 2dj0 s THR 28 N -1.34 3.99 -0.08 3.92 2.01 -1.26 -4.60 115.64 118.28 2dj0 s THR 28 Ca 0.36 1.75 -0.02 0.00 0.31 0.00 0.00 61.69 64.10 2dj0 s THR 28 Cb -0.17 -4.02 0.03 0.00 0.01 0.00 0.00 72.50 68.35 2dj0 s THR 28 CO 0.20 0.23 0.02 0.26 -0.69 0.00 0.00 174.62 174.64 2dj0 s TRP 29 N -1.46 0.55 -0.42 4.92 0.52 -1.01 -4.26 118.94 117.79 2dj0 s TRP 29 Ca 0.49 -0.15 -0.12 0.00 0.02 0.00 0.00 56.10 56.33 2dj0 s TRP 29 Cb -0.23 -0.75 0.06 0.00 -1.15 0.00 0.00 33.47 31.40 2dj0 s TRP 29 CO 0.29 -0.33 0.29 -1.50 0.02 0.00 0.00 176.95 175.72 2dj0 s ILE 30 N 2.01 4.78 -0.05 2.03 2.07 -1.25 -2.30 121.20 128.49 2dj0 s ILE 30 Ca 0.04 -1.05 -0.03 0.00 -1.41 0.00 0.00 60.65 58.20 2dj0 s ILE 30 Cb -0.13 -3.80 -0.04 0.00 0.13 0.00 0.00 42.46 38.62 2dj0 s ILE 30 CO -0.05 -0.43 0.13 -0.69 -1.91 0.00 0.00 174.94 171.98 2dj0 s VAL 31 N 1.56 5.17 -0.19 4.00 1.01 -1.18 -1.49 120.40 129.27 2dj0 s VAL 31 Ca 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 2dj0 s VAL 31 Cb -0.22 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2dj0 s VAL 31 CO 0.06 0.46 -0.06 -0.70 0.00 0.00 0.00 175.10 174.85 2dj0 s GLU 32 N -1.49 3.41 -0.24 2.72 2.56 -0.40 -3.01 118.70 122.26 2dj0 s GLU 32 Ca 0.21 -0.62 -0.10 0.00 0.00 0.00 0.00 54.97 54.45 2dj0 s GLU 32 Cb -0.12 -2.92 -0.05 0.00 2.00 0.00 0.00 34.13 33.04 2dj0 s GLU 32 CO 0.11 -0.06 0.15 -0.06 -0.56 0.00 0.00 175.26 174.84 2dj0 s PHE 33 N 1.10 3.27 0.20 5.30 0.40 -0.06 -0.74 117.98 127.46 2dj0 s PHE 33 Ca 0.01 0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.47 2dj0 s PHE 33 Cb -0.15 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 2dj0 s PHE 33 CO -0.01 -0.01 0.13 -0.59 0.70 0.00 0.00 175.22 175.45 2dj0 s PHE 34 N 1.19 1.15 0.36 0.36 -0.71 -1.14 -0.57 117.98 118.63 2dj0 s PHE 34 Ca 0.07 -1.37 0.09 0.00 -1.04 0.00 0.00 56.93 54.67 2dj0 s PHE 34 Cb -0.14 -0.55 -0.07 0.00 -1.21 0.00 0.00 43.02 41.05 2dj0 s PHE 34 CO 0.05 -0.64 -0.04 0.00 -1.34 0.00 0.00 175.22 173.26 2dj0 s ALA 35 N -4.16 3.09 -1.54 1.99 0.00 -1.26 -1.15 121.76 118.73 2dj0 s ALA 35 Ca 0.39 -2.12 0.29 0.00 0.00 0.00 0.00 51.96 50.52 2dj0 s ALA 35 Cb 0.07 -0.08 1.18 0.00 0.00 0.00 0.00 23.12 24.29 2dj0 s ALA 35 CO 0.12 0.02 1.84 -1.71 0.00 0.00 0.00 175.76 176.03 2dj0 n ASN 36 N -0.89 0.42 0.00 0.00 2.85 -1.26 -3.43 115.26 112.95 2dj0 n ASN 36 Ca -0.05 -0.44 0.00 0.00 -0.11 0.00 0.00 54.58 53.98 2dj0 n ASN 36 Cb 0.64 -0.09 0.00 0.00 1.24 0.00 0.00 39.78 41.57 2dj0 n ASN 36 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 2dj0 n TRP 37 N -1.05 0.00 -2.93 1.20 4.27 -1.26 -5.00 117.44 112.67 2dj0 n TRP 37 Ca 0.13 -0.14 -0.42 0.00 -3.89 0.00 0.00 57.50 53.19 2dj0 n TRP 37 Cb 0.29 -0.01 -0.05 0.00 -1.36 0.00 0.00 31.31 30.17 2dj0 n TRP 37 CO 0.00 0.00 0.00 -1.12 -2.29 0.00 0.00 177.69 174.28 2dj0 s SER 38 N -0.27 6.71 0.13 -0.67 0.01 -1.22 -4.93 113.70 113.46 2dj0 s SER 38 Ca 0.00 0.78 -0.04 0.00 1.31 0.00 0.00 55.95 58.00 2dj0 s SER 38 Cb 0.00 -2.42 -0.09 0.00 0.21 0.00 0.00 66.02 63.73 2dj0 s SER 38 CO 0.00 -0.59 1.31 -0.55 0.41 0.00 0.00 173.24 173.82 2dj0 h ASN 39 N 7.99 0.53 -0.22 2.44 -1.07 -1.92 -3.16 115.58 120.17 2dj0 h ASN 39 Ca -0.24 -0.42 0.06 0.00 0.07 0.00 0.00 56.30 55.78 2dj0 h ASN 39 Cb 1.10 -0.16 -0.01 0.00 -2.07 0.00 0.00 38.32 37.18 2dj0 h ASN 39 CO 0.88 1.21 0.62 -0.78 0.07 0.00 0.00 177.43 179.44 2dj0 h ASP 40 N 0.23 0.00 0.03 6.14 1.82 -1.92 0.23 116.42 122.95 2dj0 h ASP 40 Ca -0.08 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.48 2dj0 h ASP 40 Cb 1.56 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.58 2dj0 h ASP 40 CO 0.16 0.00 -0.33 0.00 -1.61 0.00 0.00 179.24 177.46 2dj0 h GLN 42 N -0.55 0.00 0.00 0.00 4.20 -0.69 1.25 115.11 119.32 2dj0 h GLN 42 Ca -0.05 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 2dj0 h GLN 42 Cb 1.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 2dj0 h GLN 42 CO 0.06 0.00 -1.10 1.03 -0.67 0.00 0.00 178.83 178.16 2dj0 h SER 43 N 0.00 0.00 -0.24 1.46 0.87 -1.55 -3.33 113.55 110.76 2dj0 h SER 43 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2dj0 h SER 43 Cb 1.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2dj0 h SER 43 CO -0.00 0.26 0.00 0.33 -0.53 0.00 0.00 176.83 176.89 2dj0 n PHE 44 N -2.81 0.32 0.41 2.24 7.35 0.27 -4.60 117.46 120.64 2dj0 n PHE 44 Ca -0.04 -0.35 -0.18 0.00 -0.76 0.00 0.00 57.45 56.12 2dj0 n PHE 44 Cb 0.68 -0.02 -0.09 0.00 0.35 0.00 0.00 39.48 40.40 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 2.02 -1.26 -0.13 3.13 0.00 0.10 -0.72 119.26 122.41 2dj0 h ALA 45 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 2dj0 h ALA 45 Cb 0.65 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2dj0 h ALA 45 CO 0.00 -1.21 -0.45 -1.00 0.00 0.00 0.00 179.25 176.59 2dj0 h PRO 46 N -1.13 0.32 -0.74 0.00 0.13 -1.83 -2.53 132.00 126.21 2dj0 h PRO 46 Ca -0.10 -0.17 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 2dj0 h PRO 46 Cb 0.90 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.00 2dj0 h PRO 46 CO 0.11 0.71 0.35 0.82 -0.23 0.00 0.00 178.00 179.76 2dj0 h ILE 47 N 0.26 1.24 -0.08 -3.56 2.04 -1.80 0.12 117.51 115.73 2dj0 h ILE 47 Ca 0.02 -0.70 -0.19 0.00 1.00 0.00 0.00 64.86 64.98 2dj0 h ILE 47 Cb 0.90 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2dj0 h ILE 47 CO 0.07 0.29 -0.75 0.22 0.00 0.00 0.00 178.15 177.99 2dj0 h TYR 48 N 1.05 0.62 0.06 1.37 3.20 -1.06 -2.83 116.97 119.38 2dj0 h TYR 48 Ca 0.25 -0.28 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 2dj0 h TYR 48 Cb 0.14 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2dj0 h TYR 48 CO 0.01 1.05 -0.03 0.00 -1.64 0.00 0.00 178.16 177.55 2dj0 h ALA 49 N 0.87 -0.08 -0.93 1.82 0.00 -1.17 -1.14 119.26 118.63 2dj0 h ALA 49 Ca -0.04 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.75 2dj0 h ALA 49 Cb 1.34 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 2dj0 h ALA 49 CO 0.13 -0.32 0.60 0.22 0.00 0.00 0.00 179.25 179.88 2dj0 h ASP 50 N -0.52 0.86 0.35 0.00 1.82 -0.85 -1.42 116.42 116.66 2dj0 h ASP 50 Ca -0.01 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.64 2dj0 h ASP 50 Cb 0.46 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.32 2dj0 h ASP 50 CO 0.01 0.50 -0.17 -0.07 -1.61 0.00 0.00 179.24 177.90 2dj0 h LEU 51 N 0.95 -0.40 -0.40 2.28 3.38 -1.47 -2.94 115.31 116.71 2dj0 h LEU 51 Ca 0.44 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.33 2dj0 h LEU 51 Cb 0.40 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 2dj0 h LEU 51 CO -0.20 0.04 -0.44 0.77 0.09 0.00 0.00 178.44 178.71 2dj0 h SER 52 N -0.96 -1.45 -1.01 -0.43 4.64 -0.94 0.26 113.55 113.66 2dj0 h SER 52 Ca -0.05 0.22 0.24 0.00 -0.47 0.00 0.00 61.79 61.73 2dj0 h SER 52 Cb 0.52 0.63 -0.10 0.00 -0.31 0.00 0.00 62.40 63.14 2dj0 h SER 52 CO 0.08 -0.37 0.63 -0.07 -0.87 0.00 0.00 176.83 176.23 2dj0 h LEU 53 N -0.34 0.56 -0.05 5.97 3.38 -1.36 1.69 115.31 125.16 2dj0 h LEU 53 Ca 0.13 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2dj0 h LEU 53 Cb 0.59 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2dj0 h LEU 53 CO -0.57 0.14 -0.08 0.50 0.09 0.00 0.00 178.44 178.52 2dj0 h LYS 54 N 0.51 0.15 -0.52 1.13 3.64 -0.44 -3.10 116.57 117.94 2dj0 h LYS 54 Ca 0.59 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 2dj0 h LYS 54 Cb 1.28 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2dj0 h LYS 54 CO -0.34 0.65 0.00 0.66 -2.27 0.00 0.00 179.45 178.15 2dj0 n TYR 55 N -4.70 0.67 -2.89 1.91 4.02 0.49 -4.71 117.16 111.96 2dj0 n TYR 55 Ca -0.08 -0.28 -0.44 0.00 -0.01 0.00 0.00 57.90 57.09 2dj0 n TYR 55 Cb 0.33 -0.11 -0.01 0.00 -0.02 0.00 0.00 39.34 39.53 2dj0 n TYR 55 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 2dj0 s ASN 56 N -0.78 6.90 0.24 7.72 0.01 0.56 -4.46 114.94 125.13 2dj0 s ASN 56 Ca 0.25 -2.60 -0.16 0.00 -0.71 0.00 0.00 52.86 49.64 2dj0 s ASN 56 Cb 0.15 -2.43 0.01 0.00 0.41 0.00 0.00 41.25 39.40 2dj0 s ASN 56 CO 0.13 -0.91 0.56 0.00 -1.51 0.00 0.00 177.10 175.37 2dj0 n THR 58 N -0.39 0.19 0.00 0.00 -1.04 -1.26 -2.66 114.28 109.12 2dj0 n THR 58 Ca -0.04 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 2dj0 n THR 58 Cb 0.61 -1.17 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 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 5.55 2.20 3.43 3.41 0.00 -1.26 -5.06 105.19 113.46 2dj0 n GLY 59 Ca 0.37 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2dj0 n GLY 59 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dj0 s LEU 60 N 0.00 3.03 0.48 0.99 2.96 -1.09 -4.61 118.68 120.44 2dj0 s LEU 60 Ca 0.00 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.72 2dj0 s LEU 60 Cb 0.00 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 2dj0 s LEU 60 CO 0.00 0.14 0.13 0.20 -1.32 0.00 0.00 176.35 175.51 2dj0 s ASN 61 N 0.51 4.27 0.00 3.68 0.01 -1.26 -3.38 114.94 118.78 2dj0 s ASN 61 Ca -0.05 -1.39 0.02 0.00 -0.71 0.00 0.00 52.86 50.73 2dj0 s ASN 61 Cb -0.15 0.13 -0.01 0.00 0.41 0.00 0.00 41.25 41.64 2dj0 s ASN 61 CO 0.03 -0.78 -0.06 -0.36 -1.51 0.00 0.00 177.10 174.42 2dj0 s PHE 62 N -2.77 0.51 0.29 2.20 0.40 -1.26 -3.87 117.98 113.49 2dj0 s PHE 62 Ca 0.24 -0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.45 2dj0 s PHE 62 Cb 0.02 -0.33 -0.04 0.00 0.51 0.00 0.00 43.02 43.18 2dj0 s PHE 62 CO 0.14 -0.02 0.12 0.20 0.70 0.00 0.00 175.22 176.36 2dj0 s GLY 63 N -0.32 1.97 -0.25 4.36 0.00 -0.56 -2.28 107.32 110.23 2dj0 s GLY 63 Ca 0.01 -1.78 -0.13 0.00 0.00 0.00 0.00 44.72 42.82 2dj0 s GLY 63 CO -0.00 -1.62 0.59 1.25 0.00 0.00 0.00 173.10 173.32 2dj0 s LYS 64 N -3.91 0.58 -0.08 2.90 2.20 -1.22 -1.28 119.74 118.93 2dj0 s LYS 64 Ca 0.36 1.14 0.01 0.00 -0.36 0.00 0.00 55.97 57.11 2dj0 s LYS 64 Cb 0.06 0.23 0.02 0.00 -1.51 0.00 0.00 37.83 36.63 2dj0 s LYS 64 CO 0.15 -0.17 -0.08 0.54 -0.36 0.00 0.00 175.35 175.44 2dj0 s VAL 65 N 1.85 0.92 -0.48 4.02 0.11 0.08 -3.66 120.40 123.25 2dj0 s VAL 65 Ca -0.09 -0.29 -0.29 0.00 -2.93 0.00 0.00 61.98 58.38 2dj0 s VAL 65 Cb -0.07 -0.91 0.02 0.00 -1.53 0.00 0.00 36.38 33.89 2dj0 s VAL 65 CO -0.17 0.33 1.23 -0.62 -3.33 0.00 0.00 175.10 172.53 2dj0 s ASP 66 N 1.20 6.51 -0.00 3.54 2.15 -1.26 -2.86 116.67 125.94 2dj0 s ASP 66 Ca -0.05 0.50 0.07 0.00 0.43 0.00 0.00 52.55 53.50 2dj0 s ASP 66 Cb -0.14 -2.55 -0.24 0.00 -0.30 0.00 0.00 42.92 39.70 2dj0 s ASP 66 CO -0.02 -1.35 0.83 -0.37 -0.17 0.00 0.00 175.17 174.09 2dj0 h VAL 67 N 6.29 1.10 0.00 1.11 -1.51 -1.41 -3.16 116.25 118.67 2dj0 h VAL 67 Ca -0.24 -2.87 0.00 0.00 -1.23 0.00 0.00 66.70 62.36 2dj0 h VAL 67 Cb 1.07 2.59 0.00 0.00 -2.13 0.00 0.00 31.29 32.82 2dj0 h VAL 67 CO 1.13 0.69 0.64 1.23 -1.23 0.00 0.00 177.57 180.03 2dj0 h GLY 68 N 2.87 0.00 0.00 5.19 0.00 -1.88 -0.73 103.07 108.52 2dj0 h GLY 68 Ca -0.22 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 2dj0 h GLY 68 CO 0.11 0.00 -1.56 -2.13 0.00 0.00 0.00 176.54 172.95 2dj0 n ARG 69 N -2.62 0.56 -2.93 4.80 0.63 -1.25 -4.85 116.66 110.99 2dj0 n ARG 69 Ca -0.01 0.05 -0.44 0.00 -0.92 0.00 0.00 57.85 56.53 2dj0 n ARG 69 Cb 0.66 -1.20 -0.03 0.00 0.45 0.00 0.00 32.46 32.34 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 -2.20 3.01 0.22 -0.14 1.51 -0.28 -4.87 117.35 114.60 2dj0 s TYR 70 Ca -0.12 -1.15 -0.06 0.00 -1.01 0.00 0.00 57.07 54.73 2dj0 s TYR 70 Cb 0.03 -4.25 0.20 0.00 -0.11 0.00 0.00 41.96 37.83 2dj0 s TYR 70 CO 0.24 -1.50 1.72 1.79 -1.11 0.00 0.00 175.55 176.69 2dj0 h THR 71 N 5.86 1.25 -0.43 -0.71 1.35 -1.90 -2.92 112.91 115.41 2dj0 h THR 71 Ca 0.00 -1.02 0.09 0.00 -0.55 0.00 0.00 66.41 64.93 2dj0 h THR 71 Cb 1.04 0.72 -0.09 0.00 -1.73 0.00 0.00 68.15 68.09 2dj0 h THR 71 CO 1.12 0.38 -0.21 0.44 -0.25 0.00 0.00 175.52 176.99 2dj0 h ASP 72 N 0.92 -0.72 0.91 5.36 3.32 -1.92 -0.57 116.42 123.71 2dj0 h ASP 72 Ca 0.18 0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.35 2dj0 h ASP 72 Cb 0.44 0.39 0.01 0.00 0.22 0.00 0.00 39.33 40.39 2dj0 h ASP 72 CO 0.02 -0.24 -0.43 0.58 -1.72 0.00 0.00 179.24 177.44 2dj0 h VAL 73 N -0.13 0.00 -0.82 -1.35 2.07 -1.91 -0.74 116.25 113.38 2dj0 h VAL 73 Ca 0.21 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.76 2dj0 h VAL 73 Cb 0.45 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.11 2dj0 h VAL 73 CO -0.51 0.00 -0.58 0.77 0.02 0.00 0.00 177.57 177.27 2dj0 h SER 74 N -1.25 -2.07 -0.20 0.57 4.64 -1.30 0.89 113.55 114.81 2dj0 h SER 74 Ca -0.12 0.30 0.05 0.00 -0.47 0.00 0.00 61.79 61.55 2dj0 h SER 74 Cb 0.93 0.90 -0.01 0.00 -0.31 0.00 0.00 62.40 63.91 2dj0 h SER 74 CO 0.20 -0.28 0.14 0.74 -0.87 0.00 0.00 176.83 176.76 2dj0 h THR 75 N -0.12 0.93 -0.23 2.95 2.02 -1.12 0.24 112.91 117.58 2dj0 h THR 75 Ca 0.13 -0.02 -0.16 0.00 0.77 0.00 0.00 66.41 67.14 2dj0 h THR 75 Cb 0.47 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2dj0 h THR 75 CO -0.84 0.01 -0.50 -0.09 0.37 0.00 0.00 175.52 174.48 2dj0 h ARG 76 N 0.05 0.64 -0.54 6.66 2.43 0.22 -3.03 114.38 120.81 2dj0 h ARG 76 Ca 0.09 -0.38 -0.05 0.00 -0.81 0.00 0.00 59.98 58.83 2dj0 h ARG 76 Cb 0.31 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 2dj0 h ARG 76 CO -0.01 0.99 0.06 0.66 -1.51 0.00 0.00 179.97 180.16 2dj0 n TYR 77 N -3.99 1.89 -3.20 2.20 4.02 0.86 -4.92 117.16 114.02 2dj0 n TYR 77 Ca -0.03 -0.90 -0.18 0.00 -0.01 0.00 0.00 57.90 56.78 2dj0 n TYR 77 Cb 0.58 -0.51 -0.02 0.00 -0.02 0.00 0.00 39.34 39.37 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 0.14 -2.62 -3.56 -0.72 5.02 0.21 -4.89 118.16 111.74 2dj0 n LYS 78 Ca 0.30 0.28 -0.39 0.00 -2.02 0.00 0.00 58.31 56.47 2dj0 n LYS 78 Cb 1.17 -4.89 -0.11 0.00 -0.02 0.00 0.00 35.03 31.19 2dj0 n LYS 78 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2dj0 s VAL 79 N -2.66 5.30 0.46 -0.18 1.01 0.61 -4.99 120.40 119.95 2dj0 s VAL 79 Ca 0.31 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.01 2dj0 s VAL 79 Cb -0.17 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 2dj0 s VAL 79 CO 0.38 0.11 1.32 -0.44 0.00 0.00 0.00 175.10 176.47 2dj0 s SER 80 N 1.74 5.95 -0.35 3.32 0.01 -1.26 -4.36 113.70 118.74 2dj0 s SER 80 Ca 0.07 2.68 0.08 0.00 1.31 0.00 0.00 55.95 60.09 2dj0 s SER 80 Cb -0.17 -2.64 0.45 0.00 0.21 0.00 0.00 66.02 63.87 2dj0 s SER 80 CO 0.11 -1.10 1.13 0.35 0.41 0.00 0.00 173.24 174.14 2dj0 n THR 81 N -0.31 2.26 -4.35 1.44 -2.24 -1.26 -4.68 114.28 105.14 2dj0 n THR 81 Ca 0.06 -4.34 -0.32 0.00 -2.27 0.00 0.00 64.05 57.18 2dj0 n THR 81 Cb 0.44 -0.89 -0.09 0.00 -2.10 0.00 0.00 70.33 67.69 2dj0 n THR 81 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2dj0 s SER 82 N -3.56 4.84 0.00 3.42 1.04 -1.26 -4.91 113.70 113.28 2dj0 s SER 82 Ca 0.46 -0.11 0.11 0.00 0.48 0.00 0.00 55.95 56.89 2dj0 s SER 82 Cb 0.40 -1.18 0.65 0.00 0.10 0.00 0.00 66.02 66.00 2dj0 s SER 82 CO -0.06 0.27 1.09 -0.81 0.98 0.00 0.00 173.24 174.70 2dj0 n PRO 83 N 1.35 0.49 -0.07 4.02 -0.04 -1.26 -2.78 135.00 136.70 2dj0 n PRO 83 Ca -0.14 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.21 2dj0 n PRO 83 Cb 0.52 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.57 2dj0 n PRO 83 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2dj0 n LEU 84 N -0.85 2.76 -4.71 1.53 4.32 -1.26 -5.03 117.00 113.77 2dj0 n LEU 84 Ca 0.08 -0.05 -0.32 0.00 -0.02 0.00 0.00 56.01 55.71 2dj0 n LEU 84 Cb 0.04 -0.49 0.13 0.00 -1.62 0.00 0.00 43.42 41.47 2dj0 n LEU 84 CO 0.06 0.69 0.71 0.28 -1.22 0.00 0.00 177.39 177.92 2dj0 s THR 85 N -2.29 2.45 -0.85 -5.08 -1.32 -1.12 -4.93 115.64 102.51 2dj0 s THR 85 Ca -0.19 0.17 0.16 0.00 -1.21 0.00 0.00 61.69 60.61 2dj0 s THR 85 Cb 0.05 -2.44 0.74 0.00 -1.51 0.00 0.00 72.50 69.34 2dj0 s THR 85 CO 0.32 -0.17 1.64 0.29 -2.21 0.00 0.00 174.62 174.49 2dj0 n LYS 86 N -3.66 4.06 -0.26 7.08 5.02 -1.26 -4.44 118.16 124.70 2dj0 n LYS 86 Ca 0.12 -2.87 -0.04 0.00 -2.02 0.00 0.00 58.31 53.49 2dj0 n LYS 86 Cb 0.52 -2.01 0.05 0.00 -0.02 0.00 0.00 35.03 33.56 2dj0 n LYS 86 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2dj0 n GLN 87 N 0.93 1.37 -3.66 1.97 6.02 -1.26 -4.71 117.38 118.04 2dj0 n GLN 87 Ca 0.26 -0.68 -0.05 0.00 -0.01 0.00 0.00 57.00 56.52 2dj0 n GLN 87 Cb 0.98 -1.32 -0.07 0.00 1.02 0.00 0.00 30.24 30.84 2dj0 n GLN 87 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2dj0 s LEU 88 N -0.72 -0.84 0.00 1.08 1.43 -1.26 -4.32 118.68 114.05 2dj0 s LEU 88 Ca 0.13 1.32 -0.05 0.00 -1.03 0.00 0.00 54.13 54.50 2dj0 s LEU 88 Cb 0.10 1.94 0.07 0.00 0.03 0.00 0.00 46.19 48.34 2dj0 s LEU 88 CO 0.03 -0.22 0.26 -0.81 0.23 0.00 0.00 176.35 175.83 2dj0 n PRO 89 N 5.06 -1.52 -3.68 1.29 -0.04 -1.26 -4.63 135.00 130.21 2dj0 n PRO 89 Ca -0.14 -0.41 -0.10 0.00 -0.04 0.00 0.00 63.50 62.81 2dj0 n PRO 89 Cb 0.52 -0.39 -0.10 0.00 -0.04 0.00 0.00 33.50 33.49 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 -1.47 -0.24 -0.21 0.52 2.01 0.27 -4.74 115.64 111.78 2dj0 s THR 90 Ca 0.17 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.25 2dj0 s THR 90 Cb -0.02 -0.63 -0.01 0.00 0.01 0.00 0.00 72.50 71.85 2dj0 s THR 90 CO 0.13 0.05 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.32 2dj0 s LEU 91 N 1.82 3.03 -0.06 4.42 1.43 -0.61 -0.88 118.68 127.84 2dj0 s LEU 91 Ca -0.07 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2dj0 s LEU 91 Cb -0.10 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.35 2dj0 s LEU 91 CO -0.13 0.01 -0.16 -0.63 0.23 0.00 0.00 176.35 175.67 2dj0 s ILE 92 N 1.29 1.41 -0.36 -0.59 1.01 -1.16 -0.29 121.20 122.50 2dj0 s ILE 92 Ca 0.04 -0.68 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 2dj0 s ILE 92 Cb -0.14 -1.23 -0.00 0.00 0.01 0.00 0.00 42.46 41.09 2dj0 s ILE 92 CO -0.01 0.41 0.25 -0.22 0.00 0.00 0.00 174.94 175.37 2dj0 s LEU 93 N 0.27 4.68 -0.43 2.97 2.96 -1.02 -3.13 118.68 124.99 2dj0 s LEU 93 Ca -0.09 -0.61 -0.18 0.00 -0.22 0.00 0.00 54.13 53.03 2dj0 s LEU 93 Cb -0.14 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.45 2dj0 s LEU 93 CO 0.03 -0.31 0.48 -0.36 -1.32 0.00 0.00 176.35 174.88 2dj0 s PHE 94 N 1.69 3.15 -0.67 5.38 0.08 -0.97 -2.76 117.98 123.87 2dj0 s PHE 94 Ca 0.05 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.76 2dj0 s PHE 94 Cb -0.18 -3.01 0.17 0.00 -0.57 0.00 0.00 43.02 39.43 2dj0 s PHE 94 CO 0.10 -0.75 0.48 -0.65 -0.10 0.00 0.00 175.22 174.29 2dj0 s GLN 95 N 2.27 2.55 0.00 0.44 -0.21 -1.08 -2.39 119.66 121.24 2dj0 s GLN 95 Ca 0.14 -2.85 0.00 0.00 0.02 0.00 0.00 55.36 52.67 2dj0 s GLN 95 Cb -0.17 -3.63 0.00 0.00 1.00 0.00 0.00 33.01 30.22 2dj0 s GLN 95 CO 0.14 -1.20 0.00 0.41 -2.12 0.00 0.00 175.29 172.53 2dj0 n GLY 96 N 2.89 1.15 2.72 3.09 0.00 -1.18 -4.31 105.19 109.55 2dj0 n GLY 96 Ca 0.12 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.39 -0.26 3.13 -0.02 0.00 -1.26 -4.97 105.19 101.42 2dj0 n GLY 97 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 2dj0 n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dj0 s LYS 98 N -5.42 0.47 -0.98 1.61 -2.85 -1.26 -5.10 119.74 106.22 2dj0 s LYS 98 Ca 0.23 -0.19 -0.23 0.00 -1.00 0.00 0.00 55.97 54.77 2dj0 s LYS 98 Cb -0.10 0.20 0.06 0.00 -2.06 0.00 0.00 37.83 35.93 2dj0 s LYS 98 CO 0.28 -0.11 1.39 -2.00 0.10 0.00 0.00 175.35 175.02 2dj0 s GLU 99 N -1.02 3.54 0.01 1.78 2.12 -1.26 -2.63 118.70 121.24 2dj0 s GLU 99 Ca -0.11 -1.09 -0.22 0.00 0.36 0.00 0.00 54.97 53.91 2dj0 s GLU 99 Cb -0.06 -5.18 -0.17 0.00 0.26 0.00 0.00 34.13 28.98 2dj0 s GLU 99 CO 0.02 -2.16 1.30 0.00 -0.54 0.00 0.00 175.26 173.88 2dj0 h ALA 100 N 9.73 0.13 -2.80 6.30 0.00 -1.87 -3.48 119.26 127.28 2dj0 h ALA 100 Ca 0.14 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2dj0 h ALA 100 Cb 1.02 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.68 2dj0 h ALA 100 CO 1.38 -0.02 -0.19 0.00 0.00 0.00 0.00 179.25 180.42 2dj0 s MET 101 N -4.22 1.49 -0.29 0.00 0.00 -1.25 -5.05 119.30 109.98 2dj0 s MET 101 Ca -0.15 -1.30 -0.14 0.00 0.00 0.00 0.00 55.69 54.10 2dj0 s MET 101 Cb 0.04 0.44 0.11 0.00 0.00 0.00 0.00 34.83 35.42 2dj0 s MET 101 CO 0.73 -0.60 0.77 -0.98 0.00 0.00 0.00 175.02 174.93 2dj0 s ARG 102 N -4.03 0.57 -0.18 3.16 1.70 -1.26 -2.42 118.95 116.48 2dj0 s ARG 102 Ca 0.24 1.12 -0.02 0.00 -0.47 0.00 0.00 55.73 56.60 2dj0 s ARG 102 Cb 0.00 0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 34.71 2dj0 s ARG 102 CO 0.09 -0.14 -0.08 1.03 -1.08 0.00 0.00 175.30 175.12 2dj0 s ARG 103 N 1.97 3.40 0.98 3.89 3.00 0.60 -1.55 118.95 131.23 2dj0 s ARG 103 Ca -0.08 -0.64 -0.12 0.00 0.00 0.00 0.00 55.73 54.89 2dj0 s ARG 103 Cb -0.07 -2.85 0.18 0.00 0.00 0.00 0.00 34.95 32.21 2dj0 s ARG 103 CO -0.18 -0.01 1.09 -1.25 0.00 0.00 0.00 175.30 174.95 2dj0 s PRO 104 N 0.96 0.57 -0.12 3.54 0.04 -1.26 -1.58 135.00 137.15 2dj0 s PRO 104 Ca -0.01 0.58 -0.01 0.00 0.04 0.00 0.00 61.00 61.60 2dj0 s PRO 104 Cb -0.15 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 2dj0 s PRO 104 CO -0.00 -2.65 -0.09 -1.14 0.04 0.00 0.00 177.00 173.16 2dj0 s GLN 105 N -4.96 3.25 -0.09 4.56 -0.44 -0.60 -4.91 119.66 116.48 2dj0 s GLN 105 Ca 0.65 -0.61 -0.23 0.00 -2.50 0.00 0.00 55.36 52.67 2dj0 s GLN 105 Cb -0.18 -2.68 -0.03 0.00 -1.64 0.00 0.00 33.01 28.47 2dj0 s GLN 105 CO 0.57 0.35 0.70 0.42 0.50 0.00 0.00 175.29 177.84 2dj0 s ILE 106 N 0.01 5.04 -0.10 -2.34 -1.09 -1.26 -3.29 121.20 118.17 2dj0 s ILE 106 Ca -0.02 1.42 -0.06 0.00 -2.23 0.00 0.00 60.65 59.77 2dj0 s ILE 106 Cb -0.14 -4.03 -0.23 0.00 -1.58 0.00 0.00 42.46 36.48 2dj0 s ILE 106 CO 0.03 0.22 3.27 -0.67 -1.23 0.00 0.00 174.94 176.56 2dj0 n ASP 107 N 4.00 4.91 -3.33 3.58 -0.08 -1.25 -4.65 116.55 119.72 2dj0 n ASP 107 Ca -0.01 -2.39 -0.18 0.00 -1.51 0.00 0.00 54.79 50.70 2dj0 n ASP 107 Cb 0.51 -1.28 -0.03 0.00 2.34 0.00 0.00 41.12 42.66 2dj0 n ASP 107 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2dj0 n LYS 108 N 2.63 -2.17 0.00 -0.67 5.02 -1.26 -4.65 118.16 117.05 2dj0 n LYS 108 Ca 0.41 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 2dj0 n LYS 108 Cb 0.78 -4.66 0.00 0.00 -0.02 0.00 0.00 35.03 31.13 2dj0 n LYS 108 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2dj0 n LYS 109 N -3.20 2.36 0.00 1.97 2.85 -1.26 -5.05 118.16 115.84 2dj0 n LYS 109 Ca 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 2dj0 n LYS 109 Cb 0.49 -0.90 0.00 0.00 -0.65 0.00 0.00 35.03 33.97 2dj0 n LYS 109 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2dj0 n GLY 110 N 2.63 1.86 2.73 2.58 0.00 -1.26 -5.12 105.19 108.61 2dj0 n GLY 110 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.16 0.02 -0.06 1.61 0.52 -1.26 -5.08 118.95 114.54 2dj0 s ARG 111 Ca 0.00 0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 55.17 2dj0 s ARG 111 Cb 0.00 -0.43 -0.03 0.00 0.52 0.00 0.00 34.95 35.01 2dj0 s ARG 111 CO 0.00 -0.24 1.13 0.00 0.02 0.00 0.00 175.30 176.21 2dj0 s ALA 112 N 1.61 3.45 0.19 2.13 0.00 -1.26 -3.90 121.76 123.99 2dj0 s ALA 112 Ca -0.02 0.55 -0.31 0.00 0.00 0.00 0.00 51.96 52.18 2dj0 s ALA 112 Cb -0.13 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.42 2dj0 s ALA 112 CO -0.03 -0.69 1.45 0.08 0.00 0.00 0.00 175.76 176.58 2dj0 s VAL 113 N 2.07 2.83 -0.70 0.00 1.01 -1.21 -4.87 120.40 119.54 2dj0 s VAL 113 Ca 0.54 0.64 -0.26 0.00 0.00 0.00 0.00 61.98 62.90 2dj0 s VAL 113 Cb -0.23 -3.41 -0.10 0.00 0.00 0.00 0.00 36.38 32.64 2dj0 s VAL 113 CO 0.21 0.08 2.33 -0.94 0.00 0.00 0.00 175.10 176.78 2dj0 s SER 114 N 0.72 4.25 -0.02 3.32 1.04 -1.26 -4.67 113.70 117.07 2dj0 s SER 114 Ca 0.63 0.31 0.06 0.00 0.48 0.00 0.00 55.95 57.43 2dj0 s SER 114 Cb -0.41 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.15 2dj0 s SER 114 CO 0.37 -3.38 -0.19 0.86 0.98 0.00 0.00 173.24 171.87 2dj0 s TRP 115 N 13.24 2.53 0.08 5.02 -0.00 -1.26 -5.11 118.94 133.44 2dj0 s TRP 115 Ca 0.90 -0.28 -0.29 0.00 -0.00 0.00 0.00 56.10 56.44 2dj0 s TRP 115 Cb -0.13 -1.55 -0.05 0.00 -0.00 0.00 0.00 33.47 31.73 2dj0 s TRP 115 CO 0.13 0.11 0.91 0.99 -0.00 0.00 0.00 176.95 179.09 2dj0 s THR 116 N -0.71 4.61 -1.17 5.86 2.01 -1.26 -4.96 115.64 120.02 2dj0 s THR 116 Ca 0.11 1.95 -0.04 0.00 0.31 0.00 0.00 61.69 64.02 2dj0 s THR 116 Cb -0.10 -4.27 0.24 0.00 0.01 0.00 0.00 72.50 68.38 2dj0 s THR 116 CO 0.01 0.31 1.92 0.49 -0.69 0.00 0.00 174.62 176.66 2dj0 n PHE 117 N 2.93 2.62 -3.97 4.92 3.01 -1.26 -4.81 117.46 120.89 2dj0 n PHE 117 Ca 0.01 -2.67 -0.35 0.00 1.01 0.00 0.00 57.45 55.45 2dj0 n PHE 117 Cb 0.50 -1.52 -0.08 0.00 -0.01 0.00 0.00 39.48 38.37 2dj0 n PHE 117 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2dj0 s SER 118 N -0.59 5.90 0.06 4.37 1.04 -1.26 -4.98 113.70 118.24 2dj0 s SER 118 Ca 0.42 0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.96 2dj0 s SER 118 Cb 0.14 -1.95 -0.03 0.00 0.10 0.00 0.00 66.02 64.29 2dj0 s SER 118 CO -0.04 0.27 0.99 1.21 0.98 0.00 0.00 173.24 176.65 2dj0 n GLU 119 N 2.87 -0.17 -0.27 4.02 2.13 -1.26 -0.83 120.64 127.13 2dj0 n GLU 119 Ca -0.18 0.98 -0.07 0.00 0.66 0.00 0.00 57.16 58.55 2dj0 n GLU 119 Cb 0.53 -1.46 -0.07 0.00 0.27 0.00 0.00 31.44 30.72 2dj0 n GLU 119 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2dj0 n GLU 120 N -3.87 -0.29 -0.00 5.31 2.13 -1.26 -0.59 120.64 122.07 2dj0 n GLU 120 Ca 0.01 1.25 -0.11 0.00 0.66 0.00 0.00 57.16 58.96 2dj0 n GLU 120 Cb 0.10 -1.84 -0.05 0.00 0.27 0.00 0.00 31.44 29.92 2dj0 n GLU 120 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2dj0 h ASN 121 N 0.00 -1.17 -0.57 4.31 4.21 -1.34 -1.41 115.58 119.62 2dj0 h ASN 121 Ca 0.10 0.16 0.10 0.00 1.21 0.00 0.00 56.30 57.88 2dj0 h ASN 121 Cb 0.27 0.49 -0.11 0.00 -1.12 0.00 0.00 38.32 37.84 2dj0 h ASN 121 CO -0.61 -0.39 -0.35 0.58 -1.29 0.00 0.00 177.43 175.37 2dj0 h VAL 122 N -0.44 0.16 -0.19 2.81 2.07 0.10 0.75 116.25 121.52 2dj0 h VAL 122 Ca 0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.66 2dj0 h VAL 122 Cb 0.59 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2dj0 h VAL 122 CO -0.38 0.00 0.17 0.40 0.02 0.00 0.00 177.57 177.77 2dj0 h ILE 123 N -0.18 0.65 0.00 4.57 2.04 -0.24 -0.07 117.51 124.28 2dj0 h ILE 123 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 2dj0 h ILE 123 Cb 0.55 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2dj0 h ILE 123 CO -0.67 0.00 -0.04 -0.09 0.00 0.00 0.00 178.15 177.36 2dj0 h ARG 124 N 0.00 0.00 -0.28 2.37 9.65 0.13 -1.99 114.38 124.26 2dj0 h ARG 124 Ca 0.09 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 59.03 2dj0 h ARG 124 Cb 0.43 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.93 2dj0 h ARG 124 CO -0.00 0.00 -0.41 0.93 2.80 0.00 0.00 179.97 183.29 2dj0 h GLU 125 N -0.41 -0.37 0.00 0.20 4.39 -0.12 0.41 114.58 118.69 2dj0 h GLU 125 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2dj0 h GLU 125 Cb 0.04 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2dj0 h GLU 125 CO 0.00 -0.25 0.00 1.19 -1.16 0.00 0.00 179.01 178.79 2dj0 n PHE 126 N -5.42 0.00 -4.15 4.33 3.01 -0.05 -4.89 117.46 110.29 2dj0 n PHE 126 Ca -0.02 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.14 2dj0 n PHE 126 Cb 0.35 -0.23 -0.08 0.00 -0.01 0.00 0.00 39.48 39.51 2dj0 n PHE 126 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2dj0 n ASN 127 N -1.23 0.47 -0.32 4.37 4.13 0.15 -4.79 115.26 118.04 2dj0 n ASN 127 Ca 0.12 -1.17 0.02 0.00 1.68 0.00 0.00 54.58 55.24 2dj0 n ASN 127 Cb 0.17 -1.45 0.21 0.00 -1.54 0.00 0.00 39.78 37.17 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 -1.60 0.96 -0.77 3.41 3.38 -1.67 -2.43 115.31 116.59 2dj0 h LEU 128 Ca -0.61 -0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.53 2dj0 h LEU 128 Cb 1.28 -0.21 -0.14 0.00 0.09 0.00 0.00 40.66 41.67 2dj0 h LEU 128 CO 0.63 0.64 -0.12 0.78 0.09 0.00 0.00 178.44 180.47 2dj0 h ASN 129 N 1.11 -0.58 0.29 -0.43 4.21 -1.87 0.14 115.58 118.45 2dj0 h ASN 129 Ca 0.38 0.22 -0.01 0.00 1.21 0.00 0.00 56.30 58.10 2dj0 h ASN 129 Cb 0.10 0.43 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 2dj0 h ASN 129 CO -0.13 -0.24 -0.14 -0.33 -1.29 0.00 0.00 177.43 175.31 2dj0 h GLU 130 N 0.03 -0.38 -0.88 0.81 4.39 -1.80 -1.04 114.58 115.72 2dj0 h GLU 130 Ca 0.40 0.03 0.18 0.00 0.34 0.00 0.00 59.36 60.31 2dj0 h GLU 130 Cb 0.65 0.09 -0.16 0.00 -0.10 0.00 0.00 28.75 29.22 2dj0 h GLU 130 CO -0.76 -0.04 -0.17 -0.07 -1.16 0.00 0.00 179.01 176.81 2dj0 h LEU 131 N -0.80 -0.74 -4.17 1.33 3.38 -1.07 0.19 115.31 113.43 2dj0 h LEU 131 Ca -0.04 0.26 -0.64 0.00 0.09 0.00 0.00 57.88 57.55 2dj0 h LEU 131 Cb 0.51 0.52 -0.35 0.00 0.09 0.00 0.00 40.66 41.43 2dj0 h LEU 131 CO 0.07 -0.29 0.15 -1.54 0.09 0.00 0.00 178.44 176.92 2dj0 n SER 132 N -5.54 6.39 -4.43 -0.43 3.41 -0.05 -4.87 113.62 108.10 2dj0 n SER 132 Ca 0.14 -3.78 -0.21 0.00 -0.26 0.00 0.00 58.87 54.76 2dj0 n SER 132 Cb 0.48 -0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 63.60 2dj0 n SER 132 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dj0 s GLY 133 N -2.50 1.90 1.10 5.00 0.00 0.66 -4.92 107.32 108.57 2dj0 s GLY 133 Ca 0.56 -1.95 -0.16 0.00 0.00 0.00 0.00 44.72 43.17 2dj0 s GLY 133 CO -0.09 -1.82 1.10 2.56 0.00 0.00 0.00 173.10 174.85 2dj0 s PRO 134 N -3.79 -0.40 -0.16 2.90 0.04 -1.26 -4.95 135.00 127.38 2dj0 s PRO 134 Ca 0.32 0.23 -0.10 0.00 0.04 0.00 0.00 61.00 61.48 2dj0 s PRO 134 Cb 0.06 -1.67 -0.23 0.00 0.04 0.00 0.00 34.50 32.70 2dj0 s PRO 134 CO 0.13 -3.23 0.25 0.45 0.04 0.00 0.00 177.00 174.64 2dj0 n SER 135 N -4.47 2.04 -4.25 6.66 2.88 -1.26 -4.78 113.62 110.44 2dj0 n SER 135 Ca 0.09 0.25 -0.39 0.00 -1.33 0.00 0.00 58.87 57.48 2dj0 n SER 135 Cb 0.58 -0.86 -0.10 0.00 -0.75 0.00 0.00 64.21 63.08 2dj0 n SER 135 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dj0 s SER 136 N -6.98 5.54 0.00 -3.46 0.15 -1.26 -5.27 113.70 102.42 2dj0 s SER 136 Ca -0.26 -1.54 0.00 0.00 0.70 0.00 0.00 55.95 54.85 2dj0 s SER 136 Cb 0.07 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 2dj0 s SER 136 CO 0.70 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 175.23