#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj0 n SER 2 N 0.00 -1.83 -4.79 1.61 3.41 -1.26 -4.88 113.62 105.88 2dj0 n SER 2 Ca 0.00 -1.19 -0.37 0.00 -0.26 0.00 0.00 58.87 57.05 2dj0 n SER 2 Cb 0.00 -1.90 -0.06 0.00 -0.26 0.00 0.00 64.21 61.98 2dj0 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dj0 s SER 3 N -3.41 7.25 -0.30 4.04 0.01 -1.26 -5.05 113.70 114.98 2dj0 s SER 3 Ca 0.70 1.66 -0.04 0.00 1.31 0.00 0.00 55.95 59.59 2dj0 s SER 3 Cb -0.40 -2.51 0.19 0.00 0.21 0.00 0.00 66.02 63.50 2dj0 s SER 3 CO 1.00 0.01 0.76 -0.83 0.41 0.00 0.00 173.24 174.59 2dj0 s GLY 4 N -1.56 -0.89 0.05 3.44 0.00 -1.26 -5.16 107.32 101.93 2dj0 s GLY 4 Ca 0.46 1.93 0.02 0.00 0.00 0.00 0.00 44.72 47.12 2dj0 s GLY 4 CO 0.23 3.65 0.09 -0.56 0.00 0.00 0.00 173.10 176.51 2dj0 s SER 5 N 2.89 5.66 -0.18 1.64 0.01 -1.26 -5.11 113.70 117.35 2dj0 s SER 5 Ca 0.14 0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.48 2dj0 s SER 5 Cb -0.11 -1.58 0.03 0.00 0.21 0.00 0.00 66.02 64.57 2dj0 s SER 5 CO -0.20 0.21 -0.13 -0.55 0.41 0.00 0.00 173.24 172.97 2dj0 s SER 6 N -2.18 3.07 -0.50 2.44 0.15 -1.26 -4.89 113.70 110.53 2dj0 s SER 6 Ca 0.28 -0.69 -0.10 0.00 0.70 0.00 0.00 55.95 56.14 2dj0 s SER 6 Cb -0.12 -1.25 0.01 0.00 -1.71 0.00 0.00 66.02 62.95 2dj0 s SER 6 CO 0.20 -0.09 0.45 0.61 1.20 0.00 0.00 173.24 175.61 2dj0 n GLY 7 N 4.71 -0.57 3.39 9.45 0.00 -1.26 -4.93 105.19 115.97 2dj0 n GLY 7 Ca -0.17 0.58 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.13 2.65 -0.04 1.61 1.13 -1.26 -5.05 117.35 114.26 2dj0 s TYR 8 Ca 0.10 -0.45 0.02 0.00 -1.41 0.00 0.00 57.07 55.33 2dj0 s TYR 8 Cb -0.01 -1.68 0.01 0.00 -1.10 0.00 0.00 41.96 39.18 2dj0 s TYR 8 CO 0.64 -0.04 -0.10 0.42 -2.51 0.00 0.00 175.55 173.97 2dj0 s ILE 9 N -0.28 0.86 -0.88 -3.49 1.01 -1.26 -4.80 121.20 112.36 2dj0 s ILE 9 Ca 0.01 -0.38 -0.24 0.00 0.00 0.00 0.00 60.65 60.04 2dj0 s ILE 9 Cb -0.13 -0.78 0.05 0.00 0.01 0.00 0.00 42.46 41.61 2dj0 s ILE 9 CO 0.03 0.27 1.34 -0.75 0.00 0.00 0.00 174.94 175.83 2dj0 s LYS 10 N 0.34 3.40 0.89 2.79 2.47 -0.87 -4.78 119.74 123.98 2dj0 s LYS 10 Ca -0.06 -0.78 -0.11 0.00 -1.56 0.00 0.00 55.97 53.46 2dj0 s LYS 10 Cb -0.11 -4.80 0.13 0.00 -1.46 0.00 0.00 37.83 31.60 2dj0 s LYS 10 CO 0.01 -2.14 1.11 0.71 0.16 0.00 0.00 175.35 175.20 2dj0 s TYR 11 N 5.11 1.95 0.01 4.03 2.02 -1.26 -3.51 117.35 125.71 2dj0 s TYR 11 Ca 0.39 1.61 -0.03 0.00 -0.37 0.00 0.00 57.07 58.68 2dj0 s TYR 11 Cb -0.04 -3.21 -0.01 0.00 -0.40 0.00 0.00 41.96 38.30 2dj0 s TYR 11 CO 0.01 -2.56 0.04 -0.06 -1.57 0.00 0.00 175.55 171.41 2dj0 s PHE 12 N -2.74 0.13 0.80 2.71 0.08 -1.20 -4.87 117.98 112.89 2dj0 s PHE 12 Ca 0.65 -0.27 -0.08 0.00 0.12 0.00 0.00 56.93 57.34 2dj0 s PHE 12 Cb -0.21 -0.10 0.12 0.00 -0.57 0.00 0.00 43.02 42.26 2dj0 s PHE 12 CO 0.58 -0.19 1.12 -0.80 -0.10 0.00 0.00 175.22 175.82 2dj0 s ASN 13 N -1.17 4.13 0.59 1.36 -0.87 -1.26 -4.73 114.94 112.99 2dj0 s ASN 13 Ca -0.13 0.20 0.37 0.00 -1.57 0.00 0.00 52.86 51.73 2dj0 s ASN 13 Cb -0.07 -0.58 1.71 0.00 -0.02 0.00 0.00 41.25 42.29 2dj0 s ASN 13 CO 0.00 -2.05 2.11 -2.24 -2.57 0.00 0.00 177.10 172.35 2dj0 h ASP 14 N -0.94 0.00 0.00 -1.22 3.04 -1.98 -2.11 116.42 113.21 2dj0 h ASP 14 Ca -0.42 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.37 2dj0 h ASP 14 Cb 1.28 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.57 2dj0 h ASP 14 CO 0.48 0.01 -0.59 1.17 -2.04 0.00 0.00 179.24 178.28 2dj0 n LYS 15 N -3.12 0.31 -0.35 4.15 0.00 -1.26 -4.58 118.16 113.31 2dj0 n LYS 15 Ca -0.01 0.12 0.25 0.00 0.00 0.00 0.00 58.31 58.68 2dj0 n LYS 15 Cb 0.23 -1.02 0.51 0.00 0.00 0.00 0.00 35.03 34.74 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 -0.59 0.37 -1.73 3.15 1.35 -1.96 0.94 112.91 114.45 2dj0 h THR 16 Ca 0.00 -0.12 0.52 0.00 -0.55 0.00 0.00 66.41 66.26 2dj0 h THR 16 Cb 0.59 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.92 2dj0 h THR 16 CO 0.00 0.06 1.22 0.00 -0.25 0.00 0.00 175.52 176.55 2dj0 n ILE 17 N -4.83 -0.05 -0.01 6.82 3.06 -0.79 -0.64 119.36 122.92 2dj0 n ILE 17 Ca 0.30 1.46 -0.00 0.00 -2.50 0.00 0.00 62.75 62.01 2dj0 n ILE 17 Cb 1.00 -2.43 -0.00 0.00 0.54 0.00 0.00 39.64 38.76 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 -0.88 9.51 1.82 -1.09 -3.23 116.42 122.55 2dj0 h ASP 18 Ca 0.87 0.00 0.26 0.00 -0.39 0.00 0.00 57.03 57.77 2dj0 h ASP 18 Cb 3.35 0.00 -0.16 0.00 0.68 0.00 0.00 39.33 43.19 2dj0 h ASP 18 CO -0.11 0.07 0.09 -1.84 -1.61 0.00 0.00 179.24 175.84 2dj0 n GLU 19 N -2.43 -0.07 0.00 0.28 0.28 -0.62 0.11 120.64 118.20 2dj0 n GLU 19 Ca -0.00 1.31 -0.11 0.00 -0.16 0.00 0.00 57.16 58.19 2dj0 n GLU 19 Cb 0.02 -2.11 -0.05 0.00 1.43 0.00 0.00 31.44 30.72 2dj0 n GLU 19 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2dj0 h GLU 20 N 0.00 0.11 0.00 3.44 4.57 -1.06 0.20 114.58 121.84 2dj0 h GLU 20 Ca 0.57 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.74 2dj0 h GLU 20 Cb 1.23 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2dj0 h GLU 20 CO -0.81 0.07 0.00 -0.07 -1.18 0.00 0.00 179.01 177.03 2dj0 h LEU 21 N 0.12 0.00 0.00 1.64 3.38 0.75 -2.03 115.31 119.17 2dj0 h LEU 21 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2dj0 h LEU 21 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2dj0 h LEU 21 CO -0.01 0.00 -0.46 -0.33 0.09 0.00 0.00 178.44 177.72 2dj0 h GLU 22 N 0.00 0.00 -0.93 1.13 5.08 0.12 -1.70 114.58 118.28 2dj0 h GLU 22 Ca 0.00 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.55 2dj0 h GLU 22 Cb 0.20 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 2dj0 h GLU 22 CO 0.00 0.12 0.60 0.07 -1.00 0.00 0.00 179.01 178.80 2dj0 h ARG 23 N -1.00 0.50 -0.26 2.33 0.11 -0.60 0.42 114.38 115.88 2dj0 h ARG 23 Ca -0.03 -0.03 -0.11 0.00 0.10 0.00 0.00 59.98 59.91 2dj0 h ARG 23 Cb 0.49 -0.11 -0.06 0.00 1.11 0.00 0.00 29.97 31.40 2dj0 h ARG 23 CO -0.02 0.33 -0.10 -0.25 0.10 0.00 0.00 179.97 180.03 2dj0 n ASP 24 N -4.57 2.66 -0.29 0.08 9.92 -0.77 -4.75 116.55 118.83 2dj0 n ASP 24 Ca 0.20 -3.57 0.11 0.00 -0.53 0.00 0.00 54.79 51.00 2dj0 n ASP 24 Cb 0.65 -0.59 0.27 0.00 -0.64 0.00 0.00 41.12 40.82 2dj0 n ASP 24 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 2dj0 h LYS 25 N 1.07 0.37 -0.76 -1.24 2.10 0.08 -0.67 116.57 117.52 2dj0 h LYS 25 Ca 0.13 -0.02 0.15 0.00 -2.00 0.00 0.00 60.65 58.91 2dj0 h LYS 25 Cb 1.48 -0.08 -0.14 0.00 -0.90 0.00 0.00 32.23 32.58 2dj0 h LYS 25 CO 0.27 0.25 -0.22 0.07 -2.00 0.00 0.00 179.45 177.82 2dj0 h ARG 26 N 0.39 -0.02 -6.62 0.07 0.11 -1.84 -3.09 114.38 103.37 2dj0 h ARG 26 Ca 0.52 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 60.10 2dj0 h ARG 26 Cb 0.96 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.02 2dj0 h ARG 26 CO -0.52 -0.02 0.31 0.08 0.10 0.00 0.00 179.97 179.93 2dj0 s VAL 27 N -6.20 4.31 0.17 0.08 1.01 -0.26 -4.79 120.40 114.72 2dj0 s VAL 27 Ca -0.14 1.99 -0.30 0.00 0.00 0.00 0.00 61.98 63.52 2dj0 s VAL 27 Cb 0.21 -4.28 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 2dj0 s VAL 27 CO 0.74 0.43 1.33 -0.89 0.00 0.00 0.00 175.10 176.71 2dj0 s THR 28 N -0.69 3.28 -0.09 3.92 2.01 -1.26 -4.62 115.64 118.19 2dj0 s THR 28 Ca 0.42 1.00 0.04 0.00 0.31 0.00 0.00 61.69 63.46 2dj0 s THR 28 Cb -0.24 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.63 2dj0 s THR 28 CO 0.30 0.12 -0.22 0.26 -0.69 0.00 0.00 174.62 174.39 2dj0 s TRP 29 N 0.45 2.38 -0.34 4.92 0.52 -0.95 -3.88 118.94 122.04 2dj0 s TRP 29 Ca 0.59 -0.96 -0.03 0.00 0.02 0.00 0.00 56.10 55.72 2dj0 s TRP 29 Cb -0.36 -1.61 0.06 0.00 -1.15 0.00 0.00 33.47 30.42 2dj0 s TRP 29 CO 0.35 -0.39 0.08 -1.50 0.02 0.00 0.00 176.95 175.52 2dj0 s ILE 30 N 0.37 3.29 -0.13 2.03 2.07 -1.12 -1.78 121.20 125.94 2dj0 s ILE 30 Ca -0.18 -1.49 -0.10 0.00 -1.41 0.00 0.00 60.65 57.47 2dj0 s ILE 30 Cb -0.17 -2.98 -0.05 0.00 0.13 0.00 0.00 42.46 39.39 2dj0 s ILE 30 CO 0.08 -0.28 0.20 -0.69 -1.91 0.00 0.00 174.94 172.34 2dj0 s VAL 31 N 1.27 5.38 -0.19 4.00 1.01 -1.17 -2.65 120.40 128.05 2dj0 s VAL 31 Ca -0.01 0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 2dj0 s VAL 31 Cb -0.21 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 2dj0 s VAL 31 CO -0.01 0.53 -0.04 -0.70 0.00 0.00 0.00 175.10 174.89 2dj0 s GLU 32 N -0.47 3.49 -0.22 2.72 2.56 -0.50 -2.84 118.70 123.44 2dj0 s GLU 32 Ca 0.15 -0.59 -0.08 0.00 0.00 0.00 0.00 54.97 54.45 2dj0 s GLU 32 Cb -0.13 -2.97 -0.04 0.00 2.00 0.00 0.00 34.13 32.99 2dj0 s GLU 32 CO 0.04 -0.02 0.09 -0.06 -0.56 0.00 0.00 175.26 174.75 2dj0 s PHE 33 N 1.04 3.22 0.18 5.30 0.40 0.60 -2.49 117.98 126.23 2dj0 s PHE 33 Ca 0.01 -0.01 -0.05 0.00 -0.60 0.00 0.00 56.93 56.28 2dj0 s PHE 33 Cb -0.15 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 2dj0 s PHE 33 CO 0.00 -0.01 0.20 -0.59 0.70 0.00 0.00 175.22 175.53 2dj0 s PHE 34 N 0.90 0.80 -0.02 0.36 -0.71 -1.25 0.15 117.98 118.20 2dj0 s PHE 34 Ca 0.05 -1.11 0.06 0.00 -1.04 0.00 0.00 56.93 54.89 2dj0 s PHE 34 Cb -0.14 -0.31 -0.01 0.00 -1.21 0.00 0.00 43.02 41.35 2dj0 s PHE 34 CO 0.03 -0.69 -0.21 0.00 -1.34 0.00 0.00 175.22 173.01 2dj0 s ALA 35 N -4.07 1.76 0.35 1.99 0.00 -1.26 -2.76 121.76 117.77 2dj0 s ALA 35 Ca 0.28 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.41 2dj0 s ALA 35 Cb 0.05 -0.48 0.74 0.00 0.00 0.00 0.00 23.12 23.43 2dj0 s ALA 35 CO 0.07 0.41 1.91 -0.97 0.00 0.00 0.00 175.76 177.18 2dj0 h ASN 36 N 5.74 0.70 -0.39 0.00 -0.73 -1.99 0.21 115.58 119.12 2dj0 h ASN 36 Ca -0.38 0.02 -0.20 0.00 1.87 0.00 0.00 56.30 57.61 2dj0 h ASN 36 Cb 1.15 -0.13 -0.12 0.00 0.27 0.00 0.00 38.32 39.49 2dj0 h ASN 36 CO 0.48 0.41 0.26 -2.67 -0.37 0.00 0.00 177.43 175.54 2dj0 n TRP 37 N -4.52 1.20 -4.74 0.67 4.27 -1.26 -4.85 117.44 108.22 2dj0 n TRP 37 Ca 0.14 -1.03 -0.33 0.00 -3.89 0.00 0.00 57.50 52.39 2dj0 n TRP 37 Cb 0.33 -0.53 -0.13 0.00 -1.36 0.00 0.00 31.31 29.62 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 0.10 4.23 0.01 -0.67 0.15 0.06 -4.95 113.70 112.63 2dj0 s SER 38 Ca 0.22 -0.21 0.09 0.00 0.70 0.00 0.00 55.95 56.75 2dj0 s SER 38 Cb 0.19 -1.31 -0.23 0.00 -1.71 0.00 0.00 66.02 62.96 2dj0 s SER 38 CO 0.04 0.26 0.86 0.78 1.20 0.00 0.00 173.24 176.39 2dj0 h ASN 39 N 6.01 0.05 -0.04 5.45 4.21 -1.88 -3.33 115.58 126.04 2dj0 h ASN 39 Ca -0.37 -0.08 -0.04 0.00 1.21 0.00 0.00 56.30 57.01 2dj0 h ASN 39 Cb 1.18 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 38.35 2dj0 h ASN 39 CO 0.54 1.07 -0.08 0.44 -1.29 0.00 0.00 177.43 178.12 2dj0 h ASP 40 N 0.01 0.26 0.62 5.81 3.32 -1.95 -1.57 116.42 122.92 2dj0 h ASP 40 Ca -0.20 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 2dj0 h ASP 40 Cb 1.94 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 41.42 2dj0 h ASP 40 CO 0.10 0.37 -0.02 0.00 -1.72 0.00 0.00 179.24 177.97 2dj0 h GLN 42 N 0.00 -0.63 0.00 0.00 4.20 -1.44 0.34 115.11 117.58 2dj0 h GLN 42 Ca -0.00 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2dj0 h GLN 42 Cb 0.34 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2dj0 h GLN 42 CO 0.00 -0.35 0.00 0.45 -0.67 0.00 0.00 178.83 178.27 2dj0 n SER 43 N -5.23 0.34 -0.09 1.46 2.88 -1.18 -1.17 113.62 110.64 2dj0 n SER 43 Ca -0.10 0.65 -0.08 0.00 -1.33 0.00 0.00 58.87 58.02 2dj0 n SER 43 Cb 0.30 -0.70 -0.16 0.00 -0.75 0.00 0.00 64.21 62.90 2dj0 n SER 43 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2dj0 n PHE 44 N -1.95 0.07 -0.27 0.66 7.35 -1.13 -4.30 117.46 117.89 2dj0 n PHE 44 Ca -0.01 0.03 -0.07 0.00 -0.76 0.00 0.00 57.45 56.65 2dj0 n PHE 44 Cb 0.04 -0.97 -0.06 0.00 0.35 0.00 0.00 39.48 38.84 2dj0 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dj0 n ALA 45 N -2.69 -0.39 -0.08 3.13 0.00 0.12 0.07 120.51 120.67 2dj0 n ALA 45 Ca -0.29 0.57 -0.13 0.00 0.00 0.00 0.00 53.44 53.59 2dj0 n ALA 45 Cb 1.10 -0.11 -0.05 0.00 0.00 0.00 0.00 19.45 20.38 2dj0 n ALA 45 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2dj0 h PRO 46 N 0.00 0.61 0.25 0.00 0.13 -1.80 -3.03 132.00 128.15 2dj0 h PRO 46 Ca 0.12 -0.32 0.01 0.00 -0.87 0.00 0.00 66.00 64.93 2dj0 h PRO 46 Cb 0.28 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.38 2dj0 h PRO 46 CO -0.62 0.92 -0.47 0.82 -0.23 0.00 0.00 178.00 178.41 2dj0 h ILE 47 N 0.32 0.08 -0.97 -3.56 2.04 -0.65 0.55 117.51 115.32 2dj0 h ILE 47 Ca 0.04 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.08 2dj0 h ILE 47 Cb 0.80 0.08 -0.09 0.00 -0.74 0.00 0.00 36.82 36.87 2dj0 h ILE 47 CO 0.06 0.00 0.61 0.22 0.00 0.00 0.00 178.15 179.04 2dj0 h TYR 48 N -0.79 0.91 0.14 1.37 3.20 -0.46 -0.78 116.97 120.56 2dj0 h TYR 48 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2dj0 h TYR 48 Cb 0.76 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.75 2dj0 h TYR 48 CO -0.35 0.25 -0.07 0.00 -1.64 0.00 0.00 178.16 176.35 2dj0 h ALA 49 N 1.62 -0.18 0.44 1.82 0.00 -1.18 -2.04 119.26 119.73 2dj0 h ALA 49 Ca 0.53 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 2dj0 h ALA 49 Cb 0.90 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2dj0 h ALA 49 CO -0.29 -0.49 -0.39 -0.44 0.00 0.00 0.00 179.25 177.64 2dj0 h ASP 50 N -0.41 -1.04 -0.38 0.00 5.19 0.04 -0.69 116.42 119.14 2dj0 h ASP 50 Ca -0.02 0.08 0.07 0.00 -0.62 0.00 0.00 57.03 56.55 2dj0 h ASP 50 Cb 0.33 0.34 -0.09 0.00 0.18 0.00 0.00 39.33 40.09 2dj0 h ASP 50 CO 0.03 -0.55 -0.36 -0.07 -3.12 0.00 0.00 179.24 175.17 2dj0 h LEU 51 N -0.83 -1.19 0.25 1.55 3.38 -1.23 -0.91 115.31 116.32 2dj0 h LEU 51 Ca -0.04 0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2dj0 h LEU 51 Cb 0.73 0.54 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 2dj0 h LEU 51 CO -0.03 -0.34 -0.48 0.77 0.09 0.00 0.00 178.44 178.44 2dj0 h SER 52 N -0.29 -1.41 -1.08 -0.43 4.64 -1.20 -0.96 113.55 112.81 2dj0 h SER 52 Ca 0.15 0.14 0.32 0.00 -0.47 0.00 0.00 61.79 61.93 2dj0 h SER 52 Cb 0.56 0.50 -0.12 0.00 -0.31 0.00 0.00 62.40 63.03 2dj0 h SER 52 CO -0.54 -0.57 0.66 -0.07 -0.87 0.00 0.00 176.83 175.44 2dj0 h LEU 53 N -0.80 0.46 0.65 5.97 3.38 -0.60 1.87 115.31 126.25 2dj0 h LEU 53 Ca -0.02 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2dj0 h LEU 53 Cb 0.77 0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.61 2dj0 h LEU 53 CO -0.20 -0.04 -0.31 0.11 0.09 0.00 0.00 178.44 178.08 2dj0 h LYS 54 N 0.33 -0.85 -0.67 1.13 1.57 -0.00 -3.10 116.57 114.99 2dj0 h LYS 54 Ca 0.70 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.53 2dj0 h LYS 54 Cb 1.74 0.19 0.00 0.00 0.08 0.00 0.00 32.23 34.24 2dj0 h LYS 54 CO -0.45 -0.56 0.00 0.66 -0.57 0.00 0.00 179.45 178.52 2dj0 n TYR 55 N -5.21 0.47 -3.42 -1.35 4.02 -0.48 -4.85 117.16 106.34 2dj0 n TYR 55 Ca -0.11 -0.18 -0.38 0.00 -0.01 0.00 0.00 57.90 57.23 2dj0 n TYR 55 Cb 0.35 -0.14 -0.06 0.00 -0.02 0.00 0.00 39.34 39.46 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 -0.46 6.74 -0.71 7.72 -0.87 0.63 -3.38 114.94 124.60 2dj0 s ASN 56 Ca 0.14 0.88 -0.01 0.00 -1.57 0.00 0.00 52.86 52.30 2dj0 s ASN 56 Cb 0.10 -2.26 0.00 0.00 -0.02 0.00 0.00 41.25 39.07 2dj0 s ASN 56 CO 0.06 0.18 0.19 0.00 -2.57 0.00 0.00 177.10 174.95 2dj0 n THR 58 N -3.85 0.00 -1.73 0.00 -2.24 -1.26 -5.04 114.28 100.16 2dj0 n THR 58 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2dj0 n THR 58 Cb 0.56 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 2dj0 n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dj0 n GLY 59 N 2.02 -0.11 2.75 3.38 0.00 -1.26 -5.10 105.19 106.87 2dj0 n GLY 59 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.84 -0.13 0.99 2.96 -1.22 -4.63 118.68 117.49 2dj0 s LEU 60 Ca 0.00 0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 53.89 2dj0 s LEU 60 Cb 0.00 -0.12 -0.04 0.00 0.50 0.00 0.00 46.19 46.53 2dj0 s LEU 60 CO 0.00 -0.16 0.07 0.20 -1.32 0.00 0.00 176.35 175.14 2dj0 s ASN 61 N 1.37 5.77 -0.02 3.68 -0.87 -1.25 -4.29 114.94 119.32 2dj0 s ASN 61 Ca -0.05 0.23 0.02 0.00 -1.57 0.00 0.00 52.86 51.49 2dj0 s ASN 61 Cb -0.13 -1.84 -0.03 0.00 -0.02 0.00 0.00 41.25 39.23 2dj0 s ASN 61 CO -0.03 0.32 -0.06 -0.36 -2.57 0.00 0.00 177.10 174.40 2dj0 s PHE 62 N -0.51 2.94 -0.09 2.20 0.40 -1.26 -2.80 117.98 118.85 2dj0 s PHE 62 Ca 0.10 0.01 -0.04 0.00 -0.60 0.00 0.00 56.93 56.40 2dj0 s PHE 62 Cb -0.12 -1.66 0.05 0.00 0.51 0.00 0.00 43.02 41.80 2dj0 s PHE 62 CO 0.02 0.37 0.21 0.20 0.70 0.00 0.00 175.22 176.72 2dj0 s GLY 63 N -1.22 -0.08 -0.10 4.36 0.00 -1.08 -2.04 107.32 107.15 2dj0 s GLY 63 Ca 0.16 0.84 -0.03 0.00 0.00 0.00 0.00 44.72 45.69 2dj0 s GLY 63 CO 0.06 1.32 0.02 1.25 0.00 0.00 0.00 173.10 175.75 2dj0 s LYS 64 N 1.51 3.18 -0.06 2.90 2.20 -1.23 -1.42 119.74 126.83 2dj0 s LYS 64 Ca -0.06 -0.38 -0.02 0.00 -0.36 0.00 0.00 55.97 55.14 2dj0 s LYS 64 Cb -0.11 -2.88 0.04 0.00 -1.51 0.00 0.00 37.83 33.36 2dj0 s LYS 64 CO -0.07 0.63 0.10 0.54 -0.36 0.00 0.00 175.35 176.19 2dj0 s VAL 65 N -0.68 -0.16 -0.19 4.02 0.11 -1.04 -3.22 120.40 119.24 2dj0 s VAL 65 Ca 0.11 0.38 -0.29 0.00 -2.93 0.00 0.00 61.98 59.25 2dj0 s VAL 65 Cb -0.12 -0.20 -0.02 0.00 -1.53 0.00 0.00 36.38 34.51 2dj0 s VAL 65 CO 0.02 0.16 1.34 -0.62 -3.33 0.00 0.00 175.10 172.67 2dj0 s ASP 66 N 2.12 6.80 -0.20 3.54 -1.08 -1.26 -3.82 116.67 122.77 2dj0 s ASP 66 Ca 0.03 1.62 -0.05 0.00 -0.52 0.00 0.00 52.55 53.63 2dj0 s ASP 66 Cb -0.12 -2.54 -0.20 0.00 -1.46 0.00 0.00 42.92 38.60 2dj0 s ASP 66 CO -0.04 -0.90 0.04 1.33 0.52 0.00 0.00 175.17 176.12 2dj0 n VAL 67 N 5.67 1.62 -0.58 1.11 0.24 -1.11 -3.37 118.33 121.90 2dj0 n VAL 67 Ca 0.15 -0.54 0.44 0.00 -2.04 0.00 0.00 64.34 62.35 2dj0 n VAL 67 Cb 0.45 -1.64 0.68 0.00 -1.47 0.00 0.00 33.84 31.85 2dj0 n VAL 67 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dj0 n GLY 68 N 1.99 -0.83 0.09 7.63 0.00 -1.25 0.68 105.19 113.49 2dj0 n GLY 68 Ca -0.40 0.57 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 2dj0 n GLY 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dj0 n ARG 69 N -3.58 0.92 -2.23 1.61 0.63 -1.26 -4.71 116.66 108.04 2dj0 n ARG 69 Ca 0.37 0.06 -0.42 0.00 -0.92 0.00 0.00 57.85 56.93 2dj0 n ARG 69 Cb 1.69 -1.39 0.00 0.00 0.45 0.00 0.00 32.46 33.22 2dj0 n ARG 69 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2dj0 n TYR 70 N -2.86 3.24 -0.31 -0.14 4.02 0.21 -4.80 117.16 116.53 2dj0 n TYR 70 Ca -0.30 -2.87 0.15 0.00 -0.01 0.00 0.00 57.90 54.87 2dj0 n TYR 70 Cb 0.92 -2.13 0.33 0.00 -0.02 0.00 0.00 39.34 38.44 2dj0 n TYR 70 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dj0 h THR 71 N 3.90 0.27 -0.48 -0.72 1.03 -1.84 0.50 112.91 115.57 2dj0 h THR 71 Ca 0.43 -0.07 0.09 0.00 -0.01 0.00 0.00 66.41 66.86 2dj0 h THR 71 Cb 0.65 0.06 -0.10 0.00 -1.07 0.00 0.00 68.15 67.69 2dj0 h THR 71 CO 1.66 0.04 -0.31 0.44 -0.01 0.00 0.00 175.52 177.34 2dj0 h ASP 72 N 0.20 -1.04 0.24 0.00 3.32 -1.90 0.29 116.42 117.53 2dj0 h ASP 72 Ca 0.60 0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.84 2dj0 h ASP 72 Cb 1.25 0.51 -0.01 0.00 0.22 0.00 0.00 39.33 41.30 2dj0 h ASP 72 CO -0.68 -0.30 -0.23 0.58 -1.72 0.00 0.00 179.24 176.89 2dj0 h VAL 73 N -0.19 0.00 -1.01 -1.35 2.07 -1.23 0.65 116.25 115.18 2dj0 h VAL 73 Ca 0.21 0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.00 2dj0 h VAL 73 Cb 0.53 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.17 2dj0 h VAL 73 CO -0.59 0.00 0.59 0.77 0.02 0.00 0.00 177.57 178.36 2dj0 h SER 74 N -0.46 0.62 0.51 0.57 4.64 -1.30 0.99 113.55 119.12 2dj0 h SER 74 Ca -0.03 0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.37 2dj0 h SER 74 Cb 0.40 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2dj0 h SER 74 CO -0.03 0.03 -0.33 0.74 -0.87 0.00 0.00 176.83 176.37 2dj0 h THR 75 N 0.49 1.02 0.03 2.95 2.02 0.03 0.36 112.91 119.82 2dj0 h THR 75 Ca 0.67 -1.22 -0.25 0.00 0.77 0.00 0.00 66.41 66.38 2dj0 h THR 75 Cb 1.38 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 69.47 2dj0 h THR 75 CO -0.51 0.32 -1.28 -0.09 0.37 0.00 0.00 175.52 174.33 2dj0 h ARG 76 N 0.00 0.06 -0.64 6.66 2.43 0.32 -3.29 114.38 119.93 2dj0 h ARG 76 Ca -0.00 -0.11 -0.15 0.00 -0.81 0.00 0.00 59.98 58.91 2dj0 h ARG 76 Cb 0.68 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.17 2dj0 h ARG 76 CO 0.04 0.91 0.17 0.66 -1.51 0.00 0.00 179.97 180.25 2dj0 n TYR 77 N -3.31 2.15 -4.25 2.20 4.02 0.49 -4.92 117.16 113.54 2dj0 n TYR 77 Ca -0.08 -1.11 -0.38 0.00 -0.01 0.00 0.00 57.90 56.33 2dj0 n TYR 77 Cb 0.99 -0.61 -0.07 0.00 -0.02 0.00 0.00 39.34 39.63 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 -0.12 -0.92 -3.70 -0.72 4.01 -0.40 -4.88 118.16 111.43 2dj0 n LYS 78 Ca 0.36 0.12 -0.36 0.00 -0.51 0.00 0.00 58.31 57.92 2dj0 n LYS 78 Cb 1.28 -4.51 -0.07 0.00 -0.51 0.00 0.00 35.03 31.22 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 -3.05 5.39 -0.20 -0.18 1.01 0.11 -5.02 120.40 118.46 2dj0 s VAL 79 Ca 0.74 0.32 -0.26 0.00 0.00 0.00 0.00 61.98 62.78 2dj0 s VAL 79 Cb -0.43 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 2dj0 s VAL 79 CO 0.90 0.48 0.86 -0.44 0.00 0.00 0.00 175.10 176.90 2dj0 s SER 80 N -0.01 6.95 -0.62 3.32 0.01 -1.26 -4.50 113.70 117.60 2dj0 s SER 80 Ca 0.13 1.17 0.01 0.00 1.31 0.00 0.00 55.95 58.57 2dj0 s SER 80 Cb -0.12 -2.46 0.42 0.00 0.21 0.00 0.00 66.02 64.06 2dj0 s SER 80 CO 0.02 -0.47 1.73 0.35 0.41 0.00 0.00 173.24 175.27 2dj0 n THR 81 N 4.96 3.21 -4.01 1.44 -2.24 -1.26 -4.41 114.28 111.97 2dj0 n THR 81 Ca 0.06 -3.91 -0.28 0.00 -2.27 0.00 0.00 64.05 57.66 2dj0 n THR 81 Cb 0.48 -1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 67.47 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 -2.22 5.90 0.30 3.42 0.01 -1.26 -4.90 113.70 114.95 2dj0 s SER 82 Ca 0.56 0.04 0.25 0.00 1.31 0.00 0.00 55.95 58.11 2dj0 s SER 82 Cb 0.45 -1.67 1.04 0.00 0.21 0.00 0.00 66.02 66.05 2dj0 s SER 82 CO -0.15 0.10 1.75 1.55 0.41 0.00 0.00 173.24 176.89 2dj0 h PRO 83 N 2.57 0.00 0.01 12.44 0.13 -1.94 -3.19 132.00 142.02 2dj0 h PRO 83 Ca -0.47 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.25 2dj0 h PRO 83 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 2dj0 h PRO 83 CO 0.67 0.00 -2.40 1.28 -0.23 0.00 0.00 178.00 177.32 2dj0 n LEU 84 N -2.35 2.49 -4.61 1.56 4.77 -1.26 -4.98 117.00 112.61 2dj0 n LEU 84 Ca 0.02 0.11 -0.38 0.00 -0.03 0.00 0.00 56.01 55.72 2dj0 n LEU 84 Cb 0.24 -0.89 0.05 0.00 -2.33 0.00 0.00 43.42 40.48 2dj0 n LEU 84 CO 0.21 0.75 0.55 1.07 -1.33 0.00 0.00 177.39 178.64 2dj0 n THR 85 N -3.73 3.49 -1.42 -5.08 5.66 -1.21 -4.90 114.28 107.08 2dj0 n THR 85 Ca -0.48 -0.50 -0.34 0.00 -3.05 0.00 0.00 64.05 59.68 2dj0 n THR 85 Cb 0.94 -1.16 0.07 0.00 -1.55 0.00 0.00 70.33 68.63 2dj0 n THR 85 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2dj0 n LYS 86 N -0.83 2.80 -0.96 1.09 4.01 -1.26 -4.52 118.16 118.49 2dj0 n LYS 86 Ca 0.13 -3.40 -0.11 0.00 -0.51 0.00 0.00 58.31 54.43 2dj0 n LYS 86 Cb 0.46 -2.29 0.21 0.00 -0.51 0.00 0.00 35.03 32.90 2dj0 n LYS 86 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2dj0 n GLN 87 N -0.89 2.23 -3.67 1.97 1.13 -1.26 -4.85 117.38 112.04 2dj0 n GLN 87 Ca 0.61 -3.10 -0.09 0.00 -1.94 0.00 0.00 57.00 52.48 2dj0 n GLN 87 Cb 0.68 -1.99 -0.09 0.00 0.11 0.00 0.00 30.24 28.95 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 -3.22 -0.51 0.00 1.08 1.43 -1.26 -4.22 118.68 111.98 2dj0 s LEU 88 Ca 0.50 1.03 -0.08 0.00 -1.03 0.00 0.00 54.13 54.55 2dj0 s LEU 88 Cb 0.43 1.49 0.12 0.00 0.03 0.00 0.00 46.19 48.26 2dj0 s LEU 88 CO 0.06 -0.22 0.44 -0.81 0.23 0.00 0.00 176.35 176.05 2dj0 n PRO 89 N 4.93 -1.90 -3.67 1.29 -0.04 -1.26 -4.66 135.00 129.69 2dj0 n PRO 89 Ca -0.15 -0.71 -0.09 0.00 -0.04 0.00 0.00 63.50 62.51 2dj0 n PRO 89 Cb 0.52 -0.66 -0.10 0.00 -0.04 0.00 0.00 33.50 33.21 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 -1.80 -0.36 -0.18 0.52 2.01 0.40 -4.80 115.64 111.43 2dj0 s THR 90 Ca 0.29 0.14 -0.07 0.00 0.31 0.00 0.00 61.69 62.36 2dj0 s THR 90 Cb -0.03 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 2dj0 s THR 90 CO 0.22 0.06 0.04 -0.76 -0.69 0.00 0.00 174.62 173.49 2dj0 s LEU 91 N 2.07 3.65 -0.05 4.42 1.43 -0.74 -0.29 118.68 129.18 2dj0 s LEU 91 Ca -0.05 0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 2dj0 s LEU 91 Cb -0.10 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.22 2dj0 s LEU 91 CO -0.13 0.15 -0.04 -0.63 0.23 0.00 0.00 176.35 175.93 2dj0 s ILE 92 N 0.49 0.55 -0.19 -0.59 1.01 -1.13 -0.58 121.20 120.76 2dj0 s ILE 92 Ca 0.02 -0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.40 2dj0 s ILE 92 Cb -0.13 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 2dj0 s ILE 92 CO 0.01 0.23 0.35 -0.22 0.00 0.00 0.00 174.94 175.31 2dj0 s LEU 93 N 0.97 4.18 -0.25 2.97 2.96 -0.24 -3.03 118.68 126.25 2dj0 s LEU 93 Ca -0.10 0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 54.26 2dj0 s LEU 93 Cb -0.14 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.11 2dj0 s LEU 93 CO -0.00 -0.01 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.66 2dj0 s PHE 94 N 0.99 3.05 -0.95 5.38 0.08 -0.73 -1.16 117.98 124.63 2dj0 s PHE 94 Ca 0.18 -1.12 -0.01 0.00 0.12 0.00 0.00 56.93 56.09 2dj0 s PHE 94 Cb -0.14 -2.14 0.29 0.00 -0.57 0.00 0.00 43.02 40.46 2dj0 s PHE 94 CO 0.07 -0.61 1.26 1.04 -0.10 0.00 0.00 175.22 176.88 2dj0 n GLN 95 N 4.78 3.89 -0.87 0.44 6.02 0.80 -2.25 117.38 130.19 2dj0 n GLN 95 Ca -0.16 -4.59 0.00 0.00 -0.01 0.00 0.00 57.00 52.24 2dj0 n GLN 95 Cb 0.49 -2.44 0.00 0.00 1.02 0.00 0.00 30.24 29.31 2dj0 n GLN 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dj0 n GLY 96 N 1.22 1.16 0.91 1.08 0.00 -1.17 -4.17 105.19 104.22 2dj0 n GLY 96 Ca 0.27 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.54 3.32 3.88 -0.02 0.00 -1.26 -4.94 105.19 105.63 2dj0 n GLY 97 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.67 3.53 -0.38 1.61 3.01 -1.26 -5.04 119.74 120.54 2dj0 s LYS 98 Ca 0.00 -0.07 -0.26 0.00 -1.01 0.00 0.00 55.97 54.63 2dj0 s LYS 98 Cb 0.00 -3.17 0.02 0.00 -1.01 0.00 0.00 37.83 33.67 2dj0 s LYS 98 CO 0.00 0.73 0.94 -2.00 0.51 0.00 0.00 175.35 175.54 2dj0 s GLU 99 N -1.26 3.81 0.05 1.68 -6.30 -1.26 -0.14 118.70 115.28 2dj0 s GLU 99 Ca 0.20 0.55 -0.08 0.00 -2.50 0.00 0.00 54.97 53.14 2dj0 s GLU 99 Cb -0.13 -3.82 -0.31 0.00 0.00 0.00 0.00 34.13 29.88 2dj0 s GLU 99 CO 0.09 -1.00 1.04 0.00 0.02 0.00 0.00 175.26 175.41 2dj0 h ALA 100 N 8.56 0.05 -2.64 6.30 0.00 -1.52 -3.48 119.26 126.53 2dj0 h ALA 100 Ca -0.23 -0.92 0.07 0.00 0.00 0.00 0.00 54.91 53.83 2dj0 h ALA 100 Cb 1.08 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 2dj0 h ALA 100 CO 1.00 0.92 0.36 0.00 0.00 0.00 0.00 179.25 181.52 2dj0 s MET 101 N -2.63 1.18 -0.21 0.00 0.23 -1.25 -5.03 119.30 111.59 2dj0 s MET 101 Ca -0.07 -0.51 -0.14 0.00 -1.03 0.00 0.00 55.69 53.94 2dj0 s MET 101 Cb 0.06 0.49 0.06 0.00 -1.53 0.00 0.00 34.83 33.91 2dj0 s MET 101 CO 0.90 -0.52 0.52 -0.98 -2.03 0.00 0.00 175.02 172.90 2dj0 s ARG 102 N -3.48 0.55 -0.08 3.16 1.70 -1.26 -1.07 118.95 118.47 2dj0 s ARG 102 Ca 0.06 0.88 0.04 0.00 -0.47 0.00 0.00 55.73 56.23 2dj0 s ARG 102 Cb -0.02 0.13 -0.02 0.00 -0.57 0.00 0.00 34.95 34.48 2dj0 s ARG 102 CO -0.06 -0.13 -0.19 1.03 -1.08 0.00 0.00 175.30 174.87 2dj0 s ARG 103 N 1.06 2.77 0.92 3.89 3.00 0.25 -2.92 118.95 127.91 2dj0 s ARG 103 Ca -0.06 -0.79 -0.12 0.00 0.00 0.00 0.00 55.73 54.76 2dj0 s ARG 103 Cb -0.06 -2.35 0.14 0.00 0.00 0.00 0.00 34.95 32.68 2dj0 s ARG 103 CO -0.10 0.40 1.09 -1.25 0.00 0.00 0.00 175.30 175.45 2dj0 s PRO 104 N -0.18 1.09 0.30 3.54 0.04 -1.26 -1.79 135.00 136.75 2dj0 s PRO 104 Ca -0.02 0.76 -0.27 0.00 0.04 0.00 0.00 61.00 61.51 2dj0 s PRO 104 Cb -0.14 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 2dj0 s PRO 104 CO 0.03 -2.34 0.97 -1.14 0.04 0.00 0.00 177.00 174.57 2dj0 s GLN 105 N -4.94 4.64 -0.24 4.56 2.00 -1.15 -4.91 119.66 119.62 2dj0 s GLN 105 Ca 0.64 1.45 -0.09 0.00 -2.00 0.00 0.00 55.36 55.36 2dj0 s GLN 105 Cb -0.18 -2.97 -0.04 0.00 0.80 0.00 0.00 33.01 30.62 2dj0 s GLN 105 CO 0.57 0.31 0.12 0.42 -0.50 0.00 0.00 175.29 176.20 2dj0 s ILE 106 N -1.43 4.86 1.06 -2.34 -1.09 -1.26 -3.13 121.20 117.86 2dj0 s ILE 106 Ca 0.47 0.01 -0.17 0.00 -2.23 0.00 0.00 60.65 58.73 2dj0 s ILE 106 Cb -0.23 -3.27 0.23 0.00 -1.58 0.00 0.00 42.46 37.62 2dj0 s ILE 106 CO 0.29 0.34 1.24 -0.62 -1.23 0.00 0.00 174.94 174.95 2dj0 s ASP 107 N 1.29 2.25 0.11 3.58 -1.08 -1.19 -4.91 116.67 116.72 2dj0 s ASP 107 Ca 0.06 0.42 -0.30 0.00 -0.52 0.00 0.00 52.55 52.22 2dj0 s ASP 107 Cb -0.14 -0.55 -0.10 0.00 -1.46 0.00 0.00 42.92 40.66 2dj0 s ASP 107 CO 0.05 -3.28 1.61 0.50 0.52 0.00 0.00 175.17 174.57 2dj0 h LYS 108 N -2.01 -0.60 -0.71 4.34 3.64 -1.99 -2.46 116.57 116.79 2dj0 h LYS 108 Ca -0.45 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.13 2dj0 h LYS 108 Cb 1.26 0.14 -0.12 0.00 -0.41 0.00 0.00 32.23 33.09 2dj0 h LYS 108 CO 0.37 -0.40 0.00 0.87 -2.27 0.00 0.00 179.45 178.02 2dj0 h LYS 109 N -0.62 0.10 0.00 1.90 1.57 -2.05 -3.45 116.57 114.02 2dj0 h LYS 109 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2dj0 h LYS 109 Cb 0.61 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2dj0 h LYS 109 CO -0.15 0.07 0.00 0.41 -0.57 0.00 0.00 179.45 179.21 2dj0 n GLY 110 N -1.40 0.97 3.44 3.86 0.00 -0.93 -5.15 105.19 105.97 2dj0 n GLY 110 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 2dj0 n GLY 110 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dj0 s ARG 111 N 0.07 1.57 -0.51 1.61 3.03 -1.26 -4.93 118.95 118.53 2dj0 s ARG 111 Ca 0.00 -1.51 -0.23 0.00 2.03 0.00 0.00 55.73 56.02 2dj0 s ARG 111 Cb 0.00 -1.87 0.04 0.00 -1.03 0.00 0.00 34.95 32.09 2dj0 s ARG 111 CO 0.00 0.40 0.82 0.00 -1.13 0.00 0.00 175.30 175.39 2dj0 s ALA 112 N -1.70 3.25 -0.20 7.88 0.00 -1.26 -3.17 121.76 126.56 2dj0 s ALA 112 Ca 0.21 -1.27 -0.29 0.00 0.00 0.00 0.00 51.96 50.61 2dj0 s ALA 112 Cb -0.08 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 2dj0 s ALA 112 CO 0.10 -2.16 1.64 0.08 0.00 0.00 0.00 175.76 175.42 2dj0 s VAL 113 N 3.45 3.66 -0.92 0.00 1.01 -1.18 -4.84 120.40 121.58 2dj0 s VAL 113 Ca 0.27 0.76 -0.32 0.00 0.00 0.00 0.00 61.98 62.68 2dj0 s VAL 113 Cb -0.14 -3.66 -0.21 0.00 0.00 0.00 0.00 36.38 32.38 2dj0 s VAL 113 CO 0.19 -0.25 2.62 -1.20 0.00 0.00 0.00 175.10 176.46 2dj0 n SER 114 N 8.35 0.44 -4.74 3.32 7.64 -1.26 -4.60 113.62 122.76 2dj0 n SER 114 Ca 0.19 0.21 -0.23 0.00 1.01 0.00 0.00 58.87 60.04 2dj0 n SER 114 Cb 0.45 -0.95 -0.06 0.00 -1.01 0.00 0.00 64.21 62.64 2dj0 n SER 114 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2dj0 s TRP 115 N 8.79 2.95 -0.31 1.43 -0.00 -1.26 -5.09 118.94 125.45 2dj0 s TRP 115 Ca 1.32 -0.14 -0.20 0.00 -0.00 0.00 0.00 56.10 57.09 2dj0 s TRP 115 Cb -1.24 -1.35 -0.01 0.00 -0.00 0.00 0.00 33.47 30.88 2dj0 s TRP 115 CO 0.50 0.55 0.62 0.99 -0.00 0.00 0.00 176.95 179.61 2dj0 s THR 116 N -2.09 4.94 -0.69 5.86 2.01 -1.26 -5.02 115.64 119.39 2dj0 s THR 116 Ca 0.31 0.80 -0.20 0.00 0.31 0.00 0.00 61.69 62.92 2dj0 s THR 116 Cb -0.08 -4.00 0.10 0.00 0.01 0.00 0.00 72.50 68.53 2dj0 s THR 116 CO 0.22 -0.16 0.89 -0.36 -0.69 0.00 0.00 174.62 174.52 2dj0 s PHE 117 N 2.61 2.94 -0.11 4.92 0.40 -1.26 -4.84 117.98 122.64 2dj0 s PHE 117 Ca 0.25 -0.94 -0.08 0.00 -0.60 0.00 0.00 56.93 55.55 2dj0 s PHE 117 Cb -0.15 -4.16 0.04 0.00 0.51 0.00 0.00 43.02 39.26 2dj0 s PHE 117 CO 0.12 -1.45 0.28 -1.54 0.70 0.00 0.00 175.22 173.33 2dj0 s SER 118 N 3.59 -0.30 0.11 1.36 1.04 -1.26 -5.06 113.70 113.17 2dj0 s SER 118 Ca 0.20 0.57 -0.20 0.00 0.48 0.00 0.00 55.95 57.00 2dj0 s SER 118 Cb -0.17 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.43 2dj0 s SER 118 CO 0.04 -0.13 1.14 1.21 0.98 0.00 0.00 173.24 176.49 2dj0 n GLU 119 N 3.46 -0.29 -0.11 4.02 2.13 -1.26 -0.67 120.64 127.93 2dj0 n GLU 119 Ca -0.18 1.12 -0.07 0.00 0.66 0.00 0.00 57.16 58.70 2dj0 n GLU 119 Cb 0.56 -1.66 -0.05 0.00 0.27 0.00 0.00 31.44 30.57 2dj0 n GLU 119 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2dj0 h GLU 120 N 0.00 -0.14 -0.97 5.31 5.08 -1.99 0.26 114.58 122.13 2dj0 h GLU 120 Ca 0.11 0.01 0.26 0.00 -1.00 0.00 0.00 59.36 58.74 2dj0 h GLU 120 Cb 0.27 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 29.42 2dj0 h GLU 120 CO -0.62 -0.09 0.52 -0.97 -1.00 0.00 0.00 179.01 176.85 2dj0 h ASN 121 N -0.15 0.52 0.80 1.42 -0.73 -1.39 0.93 115.58 116.98 2dj0 h ASN 121 Ca 0.05 0.16 -0.04 0.00 1.87 0.00 0.00 56.30 58.34 2dj0 h ASN 121 Cb 0.28 0.10 0.01 0.00 0.27 0.00 0.00 38.32 38.97 2dj0 h ASN 121 CO -0.35 -0.00 -0.39 0.58 -0.37 0.00 0.00 177.43 176.90 2dj0 h VAL 122 N 0.45 0.08 -0.77 2.57 2.07 0.16 0.29 116.25 121.10 2dj0 h VAL 122 Ca 0.65 -0.17 0.16 0.00 0.82 0.00 0.00 66.70 68.16 2dj0 h VAL 122 Cb 1.32 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2dj0 h VAL 122 CO -0.54 0.01 0.52 0.40 0.02 0.00 0.00 177.57 177.98 2dj0 h ILE 123 N -1.23 0.76 0.10 4.57 2.04 0.39 0.14 117.51 124.28 2dj0 h ILE 123 Ca -0.11 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2dj0 h ILE 123 Cb 0.84 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2dj0 h ILE 123 CO 0.18 0.07 -0.05 -0.09 0.00 0.00 0.00 178.15 178.26 2dj0 h ARG 124 N 0.36 -0.13 -0.37 2.37 9.65 -0.69 0.17 114.38 125.75 2dj0 h ARG 124 Ca 0.38 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.34 2dj0 h ARG 124 Cb 0.95 0.03 -0.09 0.00 -1.39 0.00 0.00 29.97 29.47 2dj0 h ARG 124 CO -0.11 -0.08 -0.35 0.93 2.80 0.00 0.00 179.97 183.15 2dj0 h GLU 125 N -0.42 -0.28 0.00 0.20 4.39 -0.27 0.23 114.58 118.44 2dj0 h GLU 125 Ca -0.01 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2dj0 h GLU 125 Cb 0.10 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2dj0 h GLU 125 CO 0.02 -0.19 0.00 0.74 -1.16 0.00 0.00 179.01 178.43 2dj0 h PHE 126 N -0.29 0.00 -6.32 4.33 -1.00 -0.88 -3.47 116.94 109.31 2dj0 h PHE 126 Ca 0.16 0.00 -0.47 0.00 2.81 0.00 0.00 57.97 60.46 2dj0 h PHE 126 Cb 0.55 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.08 2dj0 h PHE 126 CO -0.54 0.00 -0.80 0.09 -1.61 0.00 0.00 178.31 175.44 2dj0 n ASN 127 N -2.78 -3.03 -0.24 2.17 4.13 0.82 -4.80 115.26 111.53 2dj0 n ASN 127 Ca 0.02 -0.85 0.05 0.00 1.68 0.00 0.00 54.58 55.48 2dj0 n ASN 127 Cb 0.34 -3.69 0.17 0.00 -1.54 0.00 0.00 39.78 35.07 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 -1.93 0.11 -1.00 3.41 3.38 -1.65 -0.37 115.31 117.27 2dj0 h LEU 128 Ca -0.60 0.13 0.39 0.00 0.09 0.00 0.00 57.88 57.89 2dj0 h LEU 128 Cb 1.37 0.15 -0.18 0.00 0.09 0.00 0.00 40.66 42.09 2dj0 h LEU 128 CO 0.65 0.02 0.43 0.78 0.09 0.00 0.00 178.44 180.42 2dj0 h ASN 129 N 0.33 0.16 0.00 -0.43 4.21 -1.87 0.20 115.58 118.19 2dj0 h ASN 129 Ca 0.40 0.26 -0.00 0.00 1.21 0.00 0.00 56.30 58.17 2dj0 h ASN 129 Cb 0.63 0.31 0.00 0.00 -1.12 0.00 0.00 38.32 38.14 2dj0 h ASN 129 CO -0.45 -0.41 -0.00 -0.33 -1.29 0.00 0.00 177.43 174.95 2dj0 h GLU 130 N 0.01 -0.00 -0.04 0.81 4.39 -1.38 -1.88 114.58 116.48 2dj0 h GLU 130 Ca 0.80 0.00 0.02 0.00 0.34 0.00 0.00 59.36 60.51 2dj0 h GLU 130 Cb 2.02 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.63 2dj0 h GLU 130 CO -0.80 0.91 -0.41 -0.07 -1.16 0.00 0.00 179.01 177.48 2dj0 h LEU 131 N -0.96 -1.28 0.02 1.33 3.38 -0.31 -3.30 115.31 114.18 2dj0 h LEU 131 Ca -0.00 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2dj0 h LEU 131 Cb 0.91 0.49 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2dj0 h LEU 131 CO 0.00 -0.39 -0.01 -1.28 0.09 0.00 0.00 178.44 176.86 2dj0 h SER 132 N -0.48 -0.02 -2.93 -0.43 0.87 -0.93 -3.48 113.55 106.15 2dj0 h SER 132 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2dj0 h SER 132 Cb 0.54 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2dj0 h SER 132 CO -0.30 -0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.61 2dj0 n GLY 133 N 0.59 0.82 3.77 5.77 0.00 -0.71 -4.69 105.19 110.74 2dj0 n GLY 133 Ca -0.00 -1.85 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 2dj0 n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dj0 s PRO 134 N -2.00 3.70 0.10 1.61 0.04 -1.26 -4.78 135.00 132.41 2dj0 s PRO 134 Ca 0.00 1.75 -0.34 0.00 0.04 0.00 0.00 61.00 62.45 2dj0 s PRO 134 Cb 0.00 -2.34 -0.14 0.00 0.04 0.00 0.00 34.50 32.06 2dj0 s PRO 134 CO 0.00 -0.60 1.63 0.43 0.04 0.00 0.00 177.00 178.50 2dj0 n SER 135 N -0.62 3.10 -0.07 6.66 7.64 -1.26 -4.92 113.62 124.16 2dj0 n SER 135 Ca 0.08 1.06 -0.05 0.00 1.01 0.00 0.00 58.87 60.97 2dj0 n SER 135 Cb 0.49 -1.40 -0.02 0.00 -1.01 0.00 0.00 64.21 62.26 2dj0 n SER 135 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dj0 n SER 136 N 4.07 1.81 0.00 6.43 7.64 -1.26 -5.28 113.62 127.04 2dj0 n SER 136 Ca 0.18 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.68 2dj0 n SER 136 Cb 0.28 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 2dj0 n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64