#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 3.84 -0.72 1.61 0.15 -1.26 -5.02 113.70 112.30 2dj0 s SER 2 Ca 0.00 -0.27 -0.02 0.00 0.70 0.00 0.00 55.95 56.36 2dj0 s SER 2 Cb 0.00 -0.89 0.42 0.00 -1.71 0.00 0.00 66.02 63.84 2dj0 s SER 2 CO 0.00 0.31 2.04 -1.54 1.20 0.00 0.00 173.24 175.25 2dj0 n SER 3 N 2.54 7.67 0.00 5.45 3.41 -1.26 -4.55 113.62 126.89 2dj0 n SER 3 Ca -0.17 -3.80 0.00 0.00 -0.26 0.00 0.00 58.87 54.64 2dj0 n SER 3 Cb 0.52 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 2dj0 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dj0 n GLY 4 N -0.82 -1.92 3.14 5.00 0.00 -1.26 -5.15 105.19 104.17 2dj0 n GLY 4 Ca 0.61 0.95 -0.29 0.00 0.00 0.00 0.00 46.02 47.28 2dj0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj0 s SER 5 N 0.00 2.58 0.05 1.61 0.01 -1.26 -5.13 113.70 111.55 2dj0 s SER 5 Ca 0.00 -0.46 0.09 0.00 1.31 0.00 0.00 55.95 56.89 2dj0 s SER 5 Cb 0.00 -1.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.02 2dj0 s SER 5 CO 0.00 0.10 -0.24 -0.44 0.41 0.00 0.00 173.24 173.07 2dj0 s SER 6 N 0.51 2.89 -0.51 2.44 0.01 -1.26 -4.86 113.70 112.91 2dj0 s SER 6 Ca -0.16 -0.57 -0.15 0.00 1.31 0.00 0.00 55.95 56.38 2dj0 s SER 6 Cb -0.17 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 65.83 2dj0 s SER 6 CO 0.06 0.22 0.50 0.61 0.41 0.00 0.00 173.24 175.04 2dj0 n GLY 7 N 1.77 -0.47 3.13 3.44 0.00 -1.26 -4.95 105.19 106.85 2dj0 n GLY 7 Ca -0.17 0.69 -0.28 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.00 1.95 0.08 1.61 1.13 -1.26 -5.07 117.35 113.80 2dj0 s TYR 8 Ca 0.15 -0.72 0.10 0.00 -1.41 0.00 0.00 57.07 55.18 2dj0 s TYR 8 Cb -0.02 -1.34 -0.03 0.00 -1.10 0.00 0.00 41.96 39.47 2dj0 s TYR 8 CO 0.70 -0.30 -0.25 0.42 -2.51 0.00 0.00 175.55 173.61 2dj0 s ILE 9 N 0.37 2.07 -0.85 -3.49 1.01 -1.26 -4.76 121.20 114.29 2dj0 s ILE 9 Ca -0.13 -1.51 -0.24 0.00 0.00 0.00 0.00 60.65 58.77 2dj0 s ILE 9 Cb -0.16 -1.81 0.06 0.00 0.01 0.00 0.00 42.46 40.57 2dj0 s ILE 9 CO 0.05 0.20 1.25 -0.75 0.00 0.00 0.00 174.94 175.70 2dj0 s LYS 10 N -1.60 3.37 0.98 2.79 2.47 -0.37 -4.84 119.74 122.55 2dj0 s LYS 10 Ca 0.11 -0.88 -0.11 0.00 -1.56 0.00 0.00 55.97 53.53 2dj0 s LYS 10 Cb -0.10 -4.70 0.18 0.00 -1.46 0.00 0.00 37.83 31.75 2dj0 s LYS 10 CO 0.04 -2.05 1.10 0.71 0.16 0.00 0.00 175.35 175.31 2dj0 s TYR 11 N 4.70 1.68 -0.10 4.03 2.02 -1.26 -3.39 117.35 125.03 2dj0 s TYR 11 Ca 0.36 1.55 -0.13 0.00 -0.37 0.00 0.00 57.07 58.48 2dj0 s TYR 11 Cb -0.06 -3.23 0.03 0.00 -0.40 0.00 0.00 41.96 38.30 2dj0 s TYR 11 CO 0.02 -3.01 0.34 -0.06 -1.57 0.00 0.00 175.55 171.26 2dj0 s PHE 12 N -2.64 -0.32 0.70 2.71 0.08 -1.26 -4.87 117.98 112.37 2dj0 s PHE 12 Ca 0.66 0.74 -0.00 0.00 0.12 0.00 0.00 56.93 58.46 2dj0 s PHE 12 Cb -0.23 0.12 0.12 0.00 -0.57 0.00 0.00 43.02 42.46 2dj0 s PHE 12 CO 0.60 -0.24 0.97 -0.80 -0.10 0.00 0.00 175.22 175.65 2dj0 s ASN 13 N -0.23 4.45 0.48 1.36 -0.87 -1.26 -4.75 114.94 114.12 2dj0 s ASN 13 Ca -0.04 -0.36 0.28 0.00 -1.57 0.00 0.00 52.86 51.17 2dj0 s ASN 13 Cb -0.03 -0.06 0.85 0.00 -0.02 0.00 0.00 41.25 42.00 2dj0 s ASN 13 CO 0.02 -1.79 1.79 -0.78 -2.57 0.00 0.00 177.10 173.77 2dj0 h ASP 14 N -0.45 0.00 0.00 -1.22 1.82 -1.99 0.24 116.42 114.82 2dj0 h ASP 14 Ca -0.36 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.11 2dj0 h ASP 14 Cb 1.27 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.25 2dj0 h ASP 14 CO 0.41 0.00 -2.13 2.29 -1.61 0.00 0.00 179.24 178.20 2dj0 n LYS 15 N -3.05 0.74 -0.02 0.28 0.00 -1.26 -4.49 118.16 110.36 2dj0 n LYS 15 Ca 0.02 -0.10 -0.16 0.00 -0.00 0.00 0.00 58.31 58.07 2dj0 n LYS 15 Cb 0.41 -1.49 -0.14 0.00 -0.00 0.00 0.00 35.03 33.81 2dj0 n LYS 15 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2dj0 n THR 16 N -2.46 1.67 -0.24 0.58 -2.24 -1.20 -3.93 114.28 106.46 2dj0 n THR 16 Ca -0.17 -0.71 0.32 0.00 -2.27 0.00 0.00 64.05 61.22 2dj0 n THR 16 Cb 0.82 -1.38 0.63 0.00 -2.10 0.00 0.00 70.33 68.30 2dj0 n THR 16 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2dj0 h ILE 17 N 0.04 0.16 0.00 2.28 2.10 -0.74 0.07 117.51 121.41 2dj0 h ILE 17 Ca -0.40 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.54 2dj0 h ILE 17 Cb 2.03 0.23 0.00 0.00 -1.09 0.00 0.00 36.82 37.99 2dj0 h ILE 17 CO 0.06 0.00 -0.23 -0.78 -1.08 0.00 0.00 178.15 176.12 2dj0 h ASP 18 N 0.00 0.00 -0.99 2.19 3.58 -1.81 -3.24 116.42 116.15 2dj0 h ASP 18 Ca 0.51 0.00 0.35 0.00 0.42 0.00 0.00 57.03 58.30 2dj0 h ASP 18 Cb 2.52 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 43.40 2dj0 h ASP 18 CO -0.01 0.40 0.35 1.05 -2.88 0.00 0.00 179.24 178.15 2dj0 h GLU 19 N -0.56 0.05 0.49 0.28 4.11 -1.47 0.12 114.58 117.60 2dj0 h GLU 19 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 2dj0 h GLU 19 Cb 0.23 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2dj0 h GLU 19 CO 0.00 0.04 -0.23 1.49 0.07 0.00 0.00 179.01 180.37 2dj0 h GLU 20 N 0.05 -0.63 0.00 1.06 4.57 -1.20 0.40 114.58 118.84 2dj0 h GLU 20 Ca 0.73 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.95 2dj0 h GLU 20 Cb 1.76 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 30.49 2dj0 h GLU 20 CO -0.79 -0.42 0.25 -0.07 -1.18 0.00 0.00 179.01 176.79 2dj0 h LEU 21 N -0.74 0.00 0.01 1.64 3.38 -1.18 0.13 115.31 118.55 2dj0 h LEU 21 Ca -0.07 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 2dj0 h LEU 21 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2dj0 h LEU 21 CO 0.11 0.00 -0.99 -0.33 0.09 0.00 0.00 178.44 177.32 2dj0 h GLU 22 N 0.00 0.03 0.00 1.13 5.08 -0.43 -2.66 114.58 117.73 2dj0 h GLU 22 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2dj0 h GLU 22 Cb 0.50 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2dj0 h GLU 22 CO 0.00 1.02 0.00 2.89 -1.00 0.00 0.00 179.01 181.92 2dj0 n ARG 23 N -4.40 0.07 -0.26 2.33 1.85 0.10 -2.77 116.66 113.56 2dj0 n ARG 23 Ca -0.26 0.11 0.08 0.00 -1.00 0.00 0.00 57.85 56.77 2dj0 n ARG 23 Cb 0.66 -1.50 0.13 0.00 -1.05 0.00 0.00 32.46 30.70 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 -1.46 1.85 -0.01 2.89 8.00 0.28 -4.89 116.55 123.22 2dj0 n ASP 24 Ca 0.07 -3.01 -0.00 0.00 0.71 0.00 0.00 54.79 52.55 2dj0 n ASP 24 Cb 0.25 -0.41 -0.00 0.00 -0.02 0.00 0.00 41.12 40.94 2dj0 n ASP 24 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2dj0 n LYS 25 N -1.11 -0.01 -0.37 -1.24 5.02 -1.00 -0.67 118.16 118.77 2dj0 n LYS 25 Ca 0.14 0.98 0.03 0.00 -2.02 0.00 0.00 58.31 57.44 2dj0 n LYS 25 Cb 0.67 -1.48 0.09 0.00 -0.02 0.00 0.00 35.03 34.30 2dj0 n LYS 25 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2dj0 n ARG 26 N -3.03 -0.16 -2.25 1.97 1.85 -1.26 -2.42 116.66 111.35 2dj0 n ARG 26 Ca 0.00 1.55 -0.41 0.00 -1.00 0.00 0.00 57.85 57.99 2dj0 n ARG 26 Cb 0.01 -2.31 -0.03 0.00 -1.05 0.00 0.00 32.46 29.08 2dj0 n ARG 26 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2dj0 s VAL 27 N -6.11 3.19 0.19 8.89 1.01 0.15 -4.57 120.40 123.15 2dj0 s VAL 27 Ca -0.14 1.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 2dj0 s VAL 27 Cb 0.24 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.87 2dj0 s VAL 27 CO 0.75 0.19 1.05 -0.89 0.00 0.00 0.00 175.10 176.20 2dj0 s THR 28 N -0.35 3.95 -0.13 3.92 2.01 -1.26 -4.65 115.64 119.13 2dj0 s THR 28 Ca 0.53 1.74 -0.00 0.00 0.31 0.00 0.00 61.69 64.27 2dj0 s THR 28 Cb -0.36 -4.11 0.03 0.00 0.01 0.00 0.00 72.50 68.07 2dj0 s THR 28 CO 0.41 0.33 -0.07 0.26 -0.69 0.00 0.00 174.62 174.86 2dj0 s TRP 29 N -0.45 1.57 -0.51 4.92 0.52 -1.08 -3.67 118.94 120.24 2dj0 s TRP 29 Ca 0.47 -0.88 -0.17 0.00 0.02 0.00 0.00 56.10 55.54 2dj0 s TRP 29 Cb -0.28 -1.26 0.08 0.00 -1.15 0.00 0.00 33.47 30.85 2dj0 s TRP 29 CO 0.34 -0.56 0.54 -1.50 0.02 0.00 0.00 176.95 175.80 2dj0 s ILE 30 N 1.68 5.03 -0.15 2.03 2.07 -1.06 -2.90 121.20 127.91 2dj0 s ILE 30 Ca 0.03 -0.88 -0.07 0.00 -1.41 0.00 0.00 60.65 58.32 2dj0 s ILE 30 Cb -0.14 -4.27 -0.04 0.00 0.13 0.00 0.00 42.46 38.14 2dj0 s ILE 30 CO -0.08 -0.78 0.11 -0.69 -1.91 0.00 0.00 174.94 171.59 2dj0 s VAL 31 N 2.17 5.22 -0.14 4.00 1.01 -1.20 -1.08 120.40 130.38 2dj0 s VAL 31 Ca 0.09 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 2dj0 s VAL 31 Cb -0.23 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 2dj0 s VAL 31 CO 0.08 0.55 0.00 -0.70 0.00 0.00 0.00 175.10 175.03 2dj0 s GLU 32 N -0.43 3.55 -0.41 2.72 -6.30 0.10 -3.14 118.70 114.80 2dj0 s GLU 32 Ca 0.11 -0.43 -0.07 0.00 -2.50 0.00 0.00 54.97 52.07 2dj0 s GLU 32 Cb -0.12 -2.96 0.08 0.00 0.00 0.00 0.00 34.13 31.14 2dj0 s GLU 32 CO 0.02 0.39 0.23 -0.06 0.02 0.00 0.00 175.26 175.86 2dj0 s PHE 33 N -0.02 3.38 0.35 5.30 0.40 0.15 -1.43 117.98 126.12 2dj0 s PHE 33 Ca 0.03 -1.75 0.04 0.00 -0.60 0.00 0.00 56.93 54.65 2dj0 s PHE 33 Cb -0.13 -2.97 -0.06 0.00 0.51 0.00 0.00 43.02 40.37 2dj0 s PHE 33 CO 0.02 -0.88 0.05 -0.59 0.70 0.00 0.00 175.22 174.52 2dj0 s PHE 34 N 1.35 2.05 0.44 0.36 -0.71 -1.18 -0.49 117.98 119.80 2dj0 s PHE 34 Ca 0.03 -0.93 0.06 0.00 -1.04 0.00 0.00 56.93 55.06 2dj0 s PHE 34 Cb -0.23 -1.38 -0.05 0.00 -1.21 0.00 0.00 43.02 40.16 2dj0 s PHE 34 CO 0.00 0.07 0.12 0.00 -1.34 0.00 0.00 175.22 174.07 2dj0 s ALA 35 N -3.17 3.58 -0.32 1.99 0.00 -1.26 -0.63 121.76 121.95 2dj0 s ALA 35 Ca 0.34 -1.88 0.23 0.00 0.00 0.00 0.00 51.96 50.65 2dj0 s ALA 35 Cb 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 2dj0 s ALA 35 CO 0.16 -0.15 0.95 -1.71 0.00 0.00 0.00 175.76 175.00 2dj0 n ASN 36 N -1.19 0.62 -0.87 0.00 2.85 -1.26 -3.94 115.26 111.46 2dj0 n ASN 36 Ca -0.05 0.12 0.09 0.00 -0.11 0.00 0.00 54.58 54.63 2dj0 n ASN 36 Cb 0.66 0.81 0.15 0.00 1.24 0.00 0.00 39.78 42.63 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 -2.38 0.29 -2.91 1.20 4.27 -1.26 -4.89 117.44 111.76 2dj0 n TRP 37 Ca -0.00 -0.19 -0.43 0.00 -3.89 0.00 0.00 57.50 52.99 2dj0 n TRP 37 Cb 0.52 -0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.42 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 -1.34 6.33 0.05 -0.67 0.15 -1.25 -4.91 113.70 112.05 2dj0 s SER 38 Ca 0.28 -0.42 -0.20 0.00 0.70 0.00 0.00 55.95 56.31 2dj0 s SER 38 Cb 0.17 -2.40 -0.13 0.00 -1.71 0.00 0.00 66.02 61.95 2dj0 s SER 38 CO 0.24 -1.13 1.40 0.78 1.20 0.00 0.00 173.24 175.74 2dj0 h ASN 39 N 9.21 0.35 -1.05 5.45 2.35 -1.92 -2.91 115.58 127.06 2dj0 h ASN 39 Ca -0.26 -0.41 0.31 0.00 -0.55 0.00 0.00 56.30 55.38 2dj0 h ASN 39 Cb 1.08 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.31 2dj0 h ASN 39 CO 1.05 0.69 0.91 0.44 -1.65 0.00 0.00 177.43 178.87 2dj0 h ASP 40 N 0.02 0.00 0.00 5.81 3.32 -1.92 0.94 116.42 124.60 2dj0 h ASP 40 Ca 0.04 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 2dj0 h ASP 40 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2dj0 h ASP 40 CO 0.02 0.00 -0.50 0.00 -1.72 0.00 0.00 179.24 177.05 2dj0 h GLN 42 N 0.44 0.27 -0.03 0.00 3.07 0.85 1.01 115.11 120.71 2dj0 h GLN 42 Ca 0.02 -0.02 -0.12 0.00 0.09 0.00 0.00 58.65 58.63 2dj0 h GLN 42 Cb 1.03 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.51 2dj0 h GLN 42 CO 0.09 0.18 -0.52 0.77 0.09 0.00 0.00 178.83 179.44 2dj0 h SER 43 N 0.28 0.09 1.02 0.06 0.02 -1.62 -3.00 113.55 110.40 2dj0 h SER 43 Ca 0.63 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 61.43 2dj0 h SER 43 Cb 1.82 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 64.32 2dj0 h SER 43 CO -0.27 0.60 -1.03 0.15 -1.14 0.00 0.00 176.83 175.14 2dj0 h PHE 44 N 0.06 0.00 -0.75 3.45 3.57 0.67 -3.36 116.94 120.58 2dj0 h PHE 44 Ca -0.00 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 2dj0 h PHE 44 Cb 0.95 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.60 2dj0 h PHE 44 CO 0.01 0.38 -0.44 0.00 -2.23 0.00 0.00 178.31 176.03 2dj0 n ALA 45 N -2.29 -0.48 -0.02 2.41 0.00 0.14 -0.19 120.51 120.08 2dj0 n ALA 45 Ca -0.04 0.64 -0.13 0.00 0.00 0.00 0.00 53.44 53.91 2dj0 n ALA 45 Cb 0.73 -0.07 -0.09 0.00 0.00 0.00 0.00 19.45 20.01 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 0.06 -0.53 0.00 0.13 -1.75 -3.00 132.00 126.90 2dj0 h PRO 46 Ca 0.12 -0.03 0.08 0.00 -0.87 0.00 0.00 66.00 65.30 2dj0 h PRO 46 Cb 0.31 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.34 2dj0 h PRO 46 CO -0.71 0.53 -0.44 0.82 -0.23 0.00 0.00 178.00 177.97 2dj0 h ILE 47 N -0.41 0.09 -0.82 -3.56 2.04 -1.41 0.27 117.51 113.70 2dj0 h ILE 47 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.95 2dj0 h ILE 47 Cb 0.52 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 2dj0 h ILE 47 CO 0.01 0.00 0.53 0.22 0.00 0.00 0.00 178.15 178.91 2dj0 h TYR 48 N -0.26 0.86 -0.08 1.37 3.20 -0.66 -1.71 116.97 119.68 2dj0 h TYR 48 Ca 0.16 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 2dj0 h TYR 48 Cb 0.57 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 2dj0 h TYR 48 CO -0.69 0.42 0.04 0.00 -1.64 0.00 0.00 178.16 176.28 2dj0 h ALA 49 N 1.58 0.10 -0.00 1.82 0.00 -0.44 0.23 119.26 122.54 2dj0 h ALA 49 Ca 0.37 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.21 2dj0 h ALA 49 Cb 0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2dj0 h ALA 49 CO -0.14 -0.33 -0.05 0.22 0.00 0.00 0.00 179.25 178.95 2dj0 h ASP 50 N -0.00 -0.14 0.54 0.00 3.58 -0.28 -2.03 116.42 118.09 2dj0 h ASP 50 Ca 0.03 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 2dj0 h ASP 50 Cb 0.13 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 2dj0 h ASP 50 CO -0.00 -0.07 -0.30 -0.07 -2.88 0.00 0.00 179.24 175.92 2dj0 h LEU 51 N -0.09 -0.73 -0.62 2.28 3.38 -1.28 -2.69 115.31 115.57 2dj0 h LEU 51 Ca 0.02 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.12 2dj0 h LEU 51 Cb 0.11 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 40.95 2dj0 h LEU 51 CO -0.05 -0.48 -0.41 0.77 0.09 0.00 0.00 178.44 178.36 2dj0 h SER 52 N -0.78 -1.42 -0.96 -0.43 4.64 -0.87 0.59 113.55 114.33 2dj0 h SER 52 Ca -0.07 0.25 0.23 0.00 -0.47 0.00 0.00 61.79 61.73 2dj0 h SER 52 Cb 0.62 0.66 -0.07 0.00 -0.31 0.00 0.00 62.40 63.30 2dj0 h SER 52 CO 0.09 -0.32 0.63 -0.07 -0.87 0.00 0.00 176.83 176.29 2dj0 h LEU 53 N -0.19 0.38 -0.34 5.97 3.38 -1.27 1.98 115.31 125.23 2dj0 h LEU 53 Ca 0.21 0.05 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 2dj0 h LEU 53 Cb 0.56 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2dj0 h LEU 53 CO -0.71 0.13 -0.84 0.50 0.09 0.00 0.00 178.44 177.60 2dj0 h LYS 54 N 0.37 0.14 -0.41 1.13 3.64 0.40 -3.18 116.57 118.64 2dj0 h LYS 54 Ca 0.51 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2dj0 h LYS 54 Cb 1.34 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2dj0 h LYS 54 CO -0.19 0.89 0.00 0.66 -2.27 0.00 0.00 179.45 178.54 2dj0 n TYR 55 N -3.65 1.10 -1.58 1.91 4.01 0.12 -4.77 117.16 114.29 2dj0 n TYR 55 Ca -0.03 -0.71 -0.40 0.00 -0.16 0.00 0.00 57.90 56.61 2dj0 n TYR 55 Cb 0.78 -0.25 -0.02 0.00 -0.31 0.00 0.00 39.34 39.54 2dj0 n TYR 55 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2dj0 n ASN 56 N 0.26 7.74 -4.99 7.72 2.85 0.63 -4.37 115.26 125.11 2dj0 n ASN 56 Ca 0.21 -2.77 -0.19 0.00 -0.11 0.00 0.00 54.58 51.72 2dj0 n ASN 56 Cb 0.82 -1.52 0.04 0.00 1.24 0.00 0.00 39.78 40.35 2dj0 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dj0 n THR 58 N -2.11 0.00 0.00 0.00 -2.24 -1.26 -3.86 114.28 104.81 2dj0 n THR 58 Ca 0.11 1.21 0.00 0.00 -2.27 0.00 0.00 64.05 63.10 2dj0 n THR 58 Cb 0.60 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.07 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 -0.97 -2.59 3.53 3.38 0.00 -1.26 -4.59 105.19 102.69 2dj0 n GLY 59 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.67 2.42 -4.23 0.99 7.94 -1.25 -4.76 117.00 117.43 2dj0 n LEU 60 Ca 0.00 0.60 -0.23 0.00 -1.11 0.00 0.00 56.01 55.27 2dj0 n LEU 60 Cb 0.00 -1.27 -0.13 0.00 0.53 0.00 0.00 43.42 42.55 2dj0 n LEU 60 CO 0.00 -0.57 -0.50 0.20 -1.11 0.00 0.00 177.39 175.41 2dj0 s ASN 61 N 6.23 2.26 -0.13 1.96 0.01 -1.24 -2.18 114.94 121.84 2dj0 s ASN 61 Ca 1.05 -0.57 -0.06 0.00 -0.71 0.00 0.00 52.86 52.56 2dj0 s ASN 61 Cb -0.85 -0.15 -0.04 0.00 0.41 0.00 0.00 41.25 40.62 2dj0 s ASN 61 CO 0.52 0.08 0.09 -0.36 -1.51 0.00 0.00 177.10 175.92 2dj0 s PHE 62 N -0.97 3.42 -0.03 2.20 0.40 -1.26 -2.55 117.98 119.19 2dj0 s PHE 62 Ca 0.05 0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.76 2dj0 s PHE 62 Cb -0.09 -1.96 -0.00 0.00 0.51 0.00 0.00 43.02 41.48 2dj0 s PHE 62 CO 0.02 0.52 -0.11 0.20 0.70 0.00 0.00 175.22 176.55 2dj0 s GLY 63 N -0.56 0.63 -0.32 4.36 0.00 -0.24 -1.23 107.32 109.95 2dj0 s GLY 63 Ca 0.12 -0.45 0.02 0.00 0.00 0.00 0.00 44.72 44.41 2dj0 s GLY 63 CO 0.02 -0.21 0.02 1.25 0.00 0.00 0.00 173.10 174.18 2dj0 s LYS 64 N 0.07 1.85 -0.19 2.90 2.20 -1.22 0.02 119.74 125.37 2dj0 s LYS 64 Ca -0.02 -1.66 -0.04 0.00 -0.36 0.00 0.00 55.97 53.89 2dj0 s LYS 64 Cb -0.08 -3.16 -0.02 0.00 -1.51 0.00 0.00 37.83 33.05 2dj0 s LYS 64 CO 0.01 -0.82 -0.02 0.54 -0.36 0.00 0.00 175.35 174.70 2dj0 s VAL 65 N 1.02 3.88 -0.28 4.02 0.11 -0.51 -4.27 120.40 124.36 2dj0 s VAL 65 Ca 0.03 -0.35 -0.27 0.00 -2.93 0.00 0.00 61.98 58.47 2dj0 s VAL 65 Cb -0.20 -2.74 0.01 0.00 -1.53 0.00 0.00 36.38 31.92 2dj0 s VAL 65 CO -0.06 0.45 0.95 1.51 -3.33 0.00 0.00 175.10 174.62 2dj0 s ASP 66 N 0.84 6.88 -0.21 3.54 -4.77 -1.26 -3.09 116.67 118.61 2dj0 s ASP 66 Ca 0.00 1.02 0.16 0.00 -3.30 0.00 0.00 52.55 50.43 2dj0 s ASP 66 Cb -0.14 -2.49 -0.24 0.00 -1.09 0.00 0.00 42.92 38.96 2dj0 s ASP 66 CO 0.02 -0.70 0.03 1.33 0.70 0.00 0.00 175.17 176.55 2dj0 n VAL 67 N 5.55 1.39 0.21 2.11 0.24 0.20 -3.60 118.33 124.43 2dj0 n VAL 67 Ca 0.09 -0.81 0.12 0.00 -2.04 0.00 0.00 64.34 61.69 2dj0 n VAL 67 Cb 0.47 -0.60 0.40 0.00 -1.47 0.00 0.00 33.84 32.65 2dj0 n VAL 67 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2dj0 h GLY 68 N 3.69 0.00 0.00 7.63 0.00 -1.86 -0.66 103.07 111.87 2dj0 h GLY 68 Ca -0.55 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.66 2dj0 h GLY 68 CO 0.01 0.00 -1.46 -2.13 0.00 0.00 0.00 176.54 172.96 2dj0 n ARG 69 N -2.89 0.99 -2.49 4.80 0.00 -1.26 -4.82 116.66 111.00 2dj0 n ARG 69 Ca 0.04 0.03 -0.39 0.00 -0.00 0.00 0.00 57.85 57.54 2dj0 n ARG 69 Cb 0.87 -1.16 -0.03 0.00 0.00 0.00 0.00 32.46 32.13 2dj0 n ARG 69 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2dj0 s TYR 70 N -2.16 2.46 0.60 -0.14 1.51 -0.25 -4.80 117.35 114.56 2dj0 s TYR 70 Ca -0.09 -0.72 0.31 0.00 -1.01 0.00 0.00 57.07 55.56 2dj0 s TYR 70 Cb 0.03 -4.61 1.87 0.00 -0.11 0.00 0.00 41.96 39.14 2dj0 s TYR 70 CO 0.21 -1.88 2.24 1.79 -1.11 0.00 0.00 175.55 176.80 2dj0 h THR 71 N 6.69 0.45 0.34 -0.71 1.35 -1.90 -1.84 112.91 117.28 2dj0 h THR 71 Ca 0.22 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.06 2dj0 h THR 71 Cb 0.99 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 2dj0 h THR 71 CO 1.40 0.00 -0.16 0.44 -0.25 0.00 0.00 175.52 176.95 2dj0 h ASP 72 N 0.00 -0.38 -0.20 5.36 5.19 -1.91 -2.80 116.42 121.67 2dj0 h ASP 72 Ca 0.01 0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.49 2dj0 h ASP 72 Cb 0.09 0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.65 2dj0 h ASP 72 CO -0.00 -0.10 -0.14 0.58 -3.12 0.00 0.00 179.24 176.45 2dj0 h VAL 73 N -0.79 0.59 -0.22 -1.35 2.07 -1.89 0.10 116.25 114.75 2dj0 h VAL 73 Ca -0.05 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.50 2dj0 h VAL 73 Cb 0.35 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 2dj0 h VAL 73 CO 0.08 0.00 -0.37 0.77 0.02 0.00 0.00 177.57 178.07 2dj0 h SER 74 N -0.14 -1.21 -0.50 0.57 4.64 -1.46 0.20 113.55 115.64 2dj0 h SER 74 Ca 0.12 0.15 0.05 0.00 -0.47 0.00 0.00 61.79 61.64 2dj0 h SER 74 Cb 0.32 0.49 -0.05 0.00 -0.31 0.00 0.00 62.40 62.85 2dj0 h SER 74 CO -0.29 -0.28 0.23 0.74 -0.87 0.00 0.00 176.83 176.36 2dj0 h THR 75 N -0.30 0.91 -0.35 2.95 2.02 -1.31 0.80 112.91 117.63 2dj0 h THR 75 Ca 0.04 -0.15 0.08 0.00 0.77 0.00 0.00 66.41 67.14 2dj0 h THR 75 Cb 0.41 0.42 -0.08 0.00 -1.74 0.00 0.00 68.15 67.17 2dj0 h THR 75 CO -0.37 0.08 -0.15 -0.09 0.37 0.00 0.00 175.52 175.37 2dj0 h ARG 76 N 0.45 -0.08 -0.91 6.66 2.43 0.09 0.16 114.38 123.17 2dj0 h ARG 76 Ca 0.23 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 2dj0 h ARG 76 Cb 0.18 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 2dj0 h ARG 76 CO -0.19 -0.06 0.10 0.66 -1.51 0.00 0.00 179.97 178.98 2dj0 n TYR 77 N -5.34 0.90 -3.95 2.20 4.02 0.64 -4.88 117.16 110.74 2dj0 n TYR 77 Ca 0.01 -0.56 -0.29 0.00 -0.01 0.00 0.00 57.90 57.05 2dj0 n TYR 77 Cb 0.25 -0.35 -0.04 0.00 -0.02 0.00 0.00 39.34 39.17 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 0.09 -0.72 -3.77 -0.72 5.02 0.56 -4.86 118.16 113.75 2dj0 n LYS 78 Ca 0.15 0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 56.11 2dj0 n LYS 78 Cb 0.73 -2.32 -0.10 0.00 -0.02 0.00 0.00 35.03 33.32 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 -3.99 3.54 0.14 -0.18 1.01 0.20 -5.01 120.40 116.11 2dj0 s VAL 79 Ca 0.16 -3.61 -0.24 0.00 0.00 0.00 0.00 61.98 58.29 2dj0 s VAL 79 Cb -0.09 -3.29 -0.14 0.00 0.00 0.00 0.00 36.38 32.86 2dj0 s VAL 79 CO 0.77 -0.96 0.48 -1.20 0.00 0.00 0.00 175.10 174.19 2dj0 n SER 80 N 2.72 -0.86 -2.18 3.32 7.64 -1.26 -4.67 113.62 118.33 2dj0 n SER 80 Ca 0.14 0.91 -0.27 0.00 1.01 0.00 0.00 58.87 60.66 2dj0 n SER 80 Cb 0.36 -0.76 0.03 0.00 -1.01 0.00 0.00 64.21 62.83 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 0.17 2.80 -3.87 0.44 -2.24 -1.26 -4.72 114.28 105.59 2dj0 n THR 81 Ca 0.15 -4.02 -0.34 0.00 -2.27 0.00 0.00 64.05 57.56 2dj0 n THR 81 Cb 0.18 -1.16 -0.05 0.00 -2.10 0.00 0.00 70.33 67.20 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 -3.11 6.40 0.04 3.42 0.01 -1.26 -4.98 113.70 114.22 2dj0 s SER 82 Ca 0.54 0.41 0.16 0.00 1.31 0.00 0.00 55.95 58.37 2dj0 s SER 82 Cb 0.43 -2.03 0.67 0.00 0.21 0.00 0.00 66.02 65.30 2dj0 s SER 82 CO -0.02 0.30 1.50 -0.81 0.41 0.00 0.00 173.24 174.62 2dj0 n PRO 83 N 1.22 0.03 -0.11 12.44 -0.04 -1.26 -3.24 135.00 144.04 2dj0 n PRO 83 Ca -0.13 0.28 -0.22 0.00 -0.04 0.00 0.00 63.50 63.40 2dj0 n PRO 83 Cb 0.53 -1.56 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.62 1.87 -4.25 1.53 4.32 -1.26 -4.97 117.00 112.62 2dj0 n LEU 84 Ca 0.03 0.42 -0.29 0.00 -0.02 0.00 0.00 56.01 56.16 2dj0 n LEU 84 Cb 0.18 -0.94 0.20 0.00 -1.62 0.00 0.00 43.42 41.24 2dj0 n LEU 84 CO 0.14 0.26 -0.14 1.07 -1.22 0.00 0.00 177.39 177.50 2dj0 n THR 85 N -4.42 0.00 -2.56 -5.08 5.66 -1.20 -4.96 114.28 101.72 2dj0 n THR 85 Ca -0.33 -0.26 -0.23 0.00 -3.05 0.00 0.00 64.05 60.18 2dj0 n THR 85 Cb 0.68 -0.71 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 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 -3.07 2.84 -0.54 1.09 5.02 -1.26 -4.77 118.16 117.46 2dj0 n LYS 86 Ca 0.03 -4.21 0.03 0.00 -2.02 0.00 0.00 58.31 52.15 2dj0 n LYS 86 Cb 0.56 -2.00 0.21 0.00 -0.02 0.00 0.00 35.03 33.77 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 -0.36 2.01 -3.67 1.97 6.02 -1.26 -4.81 117.38 117.28 2dj0 n GLN 87 Ca 0.31 -3.00 -0.09 0.00 -0.01 0.00 0.00 57.00 54.21 2dj0 n GLN 87 Cb 0.68 -1.74 -0.10 0.00 1.02 0.00 0.00 30.24 30.10 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 -3.06 -0.43 0.00 1.08 1.43 -1.26 -4.18 118.68 112.26 2dj0 s LEU 88 Ca 0.41 0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 54.36 2dj0 s LEU 88 Cb 0.36 1.37 0.16 0.00 0.03 0.00 0.00 46.19 48.11 2dj0 s LEU 88 CO 0.02 -0.22 0.59 -0.81 0.23 0.00 0.00 176.35 176.16 2dj0 n PRO 89 N 4.91 -2.17 -3.73 1.29 -0.04 -1.26 -4.81 135.00 129.18 2dj0 n PRO 89 Ca -0.15 -0.94 -0.13 0.00 -0.04 0.00 0.00 63.50 62.24 2dj0 n PRO 89 Cb 0.52 -0.88 -0.09 0.00 -0.04 0.00 0.00 33.50 33.01 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 -2.06 0.02 -0.03 0.52 2.01 0.36 -4.76 115.64 111.71 2dj0 s THR 90 Ca 0.38 -0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.29 2dj0 s THR 90 Cb -0.04 -0.60 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 2dj0 s THR 90 CO 0.29 -0.09 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.12 2dj0 s LEU 91 N -0.41 2.05 -0.06 4.42 1.43 -0.24 -0.68 118.68 125.19 2dj0 s LEU 91 Ca -0.05 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2dj0 s LEU 91 Cb -0.03 -1.30 0.04 0.00 0.03 0.00 0.00 46.19 44.92 2dj0 s LEU 91 CO 0.02 0.29 0.13 -0.63 0.23 0.00 0.00 176.35 176.39 2dj0 s ILE 92 N -0.46 -0.05 -0.24 -0.59 1.01 -1.19 -0.78 121.20 118.91 2dj0 s ILE 92 Ca 0.06 0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.79 2dj0 s ILE 92 Cb -0.11 -0.22 -0.05 0.00 0.01 0.00 0.00 42.46 42.10 2dj0 s ILE 92 CO 0.00 0.08 0.16 -0.22 0.00 0.00 0.00 174.94 174.95 2dj0 s LEU 93 N 1.16 4.11 -0.20 2.97 2.96 -0.70 -3.22 118.68 125.76 2dj0 s LEU 93 Ca -0.09 0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 53.88 2dj0 s LEU 93 Cb -0.12 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 2dj0 s LEU 93 CO -0.06 0.07 0.02 -0.36 -1.32 0.00 0.00 176.35 174.71 2dj0 s PHE 94 N 1.00 3.07 -0.53 5.38 0.08 -1.14 -1.87 117.98 123.97 2dj0 s PHE 94 Ca 0.07 -0.37 0.06 0.00 0.12 0.00 0.00 56.93 56.81 2dj0 s PHE 94 Cb -0.13 -2.10 0.21 0.00 -0.57 0.00 0.00 43.02 40.42 2dj0 s PHE 94 CO 0.04 -0.20 0.52 1.04 -0.10 0.00 0.00 175.22 176.52 2dj0 n GLN 95 N 4.24 1.27 0.00 0.44 6.02 -1.00 -2.62 117.38 125.73 2dj0 n GLN 95 Ca -0.17 -3.85 0.00 0.00 -0.01 0.00 0.00 57.00 52.97 2dj0 n GLN 95 Cb 0.52 -1.83 0.00 0.00 1.02 0.00 0.00 30.24 29.94 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 1.78 0.94 2.95 1.08 0.00 -1.02 -4.46 105.19 106.46 2dj0 n GLY 96 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 0.15 3.37 -0.02 0.00 -1.26 -4.93 105.19 102.50 2dj0 n GLY 97 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.33 1.38 -0.35 1.61 -0.14 -1.26 -5.08 119.74 114.56 2dj0 s LYS 98 Ca 0.00 -1.53 -0.26 0.00 -1.36 0.00 0.00 55.97 52.82 2dj0 s LYS 98 Cb 0.00 -1.38 0.01 0.00 -1.68 0.00 0.00 37.83 34.79 2dj0 s LYS 98 CO 0.00 0.26 0.94 -2.00 -0.76 0.00 0.00 175.35 173.80 2dj0 s GLU 99 N -3.16 3.90 -0.08 1.68 -6.30 -1.26 -2.36 118.70 111.12 2dj0 s GLU 99 Ca 0.20 0.68 0.02 0.00 -2.50 0.00 0.00 54.97 53.38 2dj0 s GLU 99 Cb -0.04 -3.78 -0.25 0.00 0.00 0.00 0.00 34.13 30.06 2dj0 s GLU 99 CO 0.08 -0.91 0.52 0.00 0.02 0.00 0.00 175.26 174.97 2dj0 n ALA 100 N 6.73 1.17 -3.74 6.30 0.00 -0.78 -4.98 120.51 125.21 2dj0 n ALA 100 Ca 0.08 -0.67 -0.02 0.00 0.00 0.00 0.00 53.44 52.83 2dj0 n ALA 100 Cb 0.48 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 19.15 2dj0 n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dj0 s MET 101 N -2.58 1.03 0.09 0.00 0.23 -1.23 -5.03 119.30 111.81 2dj0 s MET 101 Ca -0.14 -0.58 -0.25 0.00 -1.03 0.00 0.00 55.69 53.69 2dj0 s MET 101 Cb 0.07 0.35 0.08 0.00 -1.53 0.00 0.00 34.83 33.80 2dj0 s MET 101 CO 0.80 -0.47 0.71 -0.98 -2.03 0.00 0.00 175.02 173.05 2dj0 s ARG 102 N -3.02 1.10 -0.15 3.16 1.70 -1.26 -1.71 118.95 118.76 2dj0 s ARG 102 Ca 0.13 -0.38 -0.10 0.00 -0.47 0.00 0.00 55.73 54.91 2dj0 s ARG 102 Cb -0.00 0.51 0.05 0.00 -0.57 0.00 0.00 34.95 34.93 2dj0 s ARG 102 CO 0.01 -0.48 0.38 1.03 -1.08 0.00 0.00 175.30 175.17 2dj0 s ARG 103 N -3.43 0.39 0.45 3.89 1.81 0.04 -3.36 118.95 118.74 2dj0 s ARG 103 Ca 0.02 0.67 -0.23 0.00 -1.72 0.00 0.00 55.73 54.47 2dj0 s ARG 103 Cb -0.01 0.05 -0.07 0.00 -0.45 0.00 0.00 34.95 34.47 2dj0 s ARG 103 CO -0.11 -0.12 1.17 -1.25 -0.68 0.00 0.00 175.30 174.31 2dj0 s PRO 104 N 0.96 3.79 0.32 3.54 0.04 -1.26 -1.08 135.00 141.31 2dj0 s PRO 104 Ca -0.06 1.79 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 2dj0 s PRO 104 Cb -0.07 -2.44 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 2dj0 s PRO 104 CO -0.08 -0.53 1.13 -1.14 0.04 0.00 0.00 177.00 176.43 2dj0 s GLN 105 N -2.65 4.43 -0.13 4.56 0.74 -1.21 -4.77 119.66 120.62 2dj0 s GLN 105 Ca 0.63 1.83 -0.20 0.00 0.05 0.00 0.00 55.36 57.67 2dj0 s GLN 105 Cb -0.29 -3.00 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 2dj0 s GLN 105 CO 0.35 0.01 0.56 0.42 -0.55 0.00 0.00 175.29 176.09 2dj0 s ILE 106 N -1.27 5.11 1.08 -2.34 -1.09 -1.26 -2.98 121.20 118.46 2dj0 s ILE 106 Ca 0.49 1.11 -0.13 0.00 -2.23 0.00 0.00 60.65 59.89 2dj0 s ILE 106 Cb -0.32 -3.90 0.23 0.00 -1.58 0.00 0.00 42.46 36.90 2dj0 s ILE 106 CO 0.41 0.25 1.07 -0.62 -1.23 0.00 0.00 174.94 174.81 2dj0 s ASP 107 N 0.84 1.83 0.16 3.58 2.15 -0.73 -4.84 116.67 119.66 2dj0 s ASP 107 Ca 0.29 1.21 -0.20 0.00 0.43 0.00 0.00 52.55 54.27 2dj0 s ASP 107 Cb -0.16 -1.88 0.06 0.00 -0.30 0.00 0.00 42.92 40.64 2dj0 s ASP 107 CO 0.12 -3.63 1.64 0.50 -0.17 0.00 0.00 175.17 173.63 2dj0 h LYS 108 N -2.23 -0.14 -0.29 4.34 3.64 -1.97 -2.03 116.57 117.88 2dj0 h LYS 108 Ca -0.57 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.84 2dj0 h LYS 108 Cb 1.33 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 2dj0 h LYS 108 CO 0.54 -0.10 0.15 0.87 -2.27 0.00 0.00 179.45 178.64 2dj0 h LYS 109 N -0.15 0.30 0.00 1.90 6.56 -2.04 -3.47 116.57 119.67 2dj0 h LYS 109 Ca 0.16 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.73 2dj0 h LYS 109 Cb 0.40 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 2dj0 h LYS 109 CO -0.40 0.20 0.00 0.41 -2.06 0.00 0.00 179.45 177.60 2dj0 n GLY 110 N -1.18 0.30 3.01 3.86 0.00 -0.76 -5.16 105.19 105.25 2dj0 n GLY 110 Ca -0.01 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 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 0.81 -0.39 1.61 0.52 -1.26 -4.88 118.95 115.36 2dj0 s ARG 111 Ca 0.00 -0.30 -0.29 0.00 -0.52 0.00 0.00 55.73 54.62 2dj0 s ARG 111 Cb 0.00 -0.78 0.02 0.00 0.52 0.00 0.00 34.95 34.71 2dj0 s ARG 111 CO 0.00 0.15 1.18 0.00 0.02 0.00 0.00 175.30 176.65 2dj0 s ALA 112 N 0.01 3.28 0.34 2.13 0.00 -1.26 -1.78 121.76 124.48 2dj0 s ALA 112 Ca 0.00 -0.21 -0.28 0.00 0.00 0.00 0.00 51.96 51.47 2dj0 s ALA 112 Cb -0.06 -3.81 -0.10 0.00 0.00 0.00 0.00 23.12 19.14 2dj0 s ALA 112 CO -0.00 -1.96 1.34 0.08 0.00 0.00 0.00 175.76 175.22 2dj0 s VAL 113 N 4.32 2.59 -0.35 0.00 1.01 -1.16 -4.85 120.40 121.96 2dj0 s VAL 113 Ca 0.50 0.59 -0.28 0.00 0.00 0.00 0.00 61.98 62.80 2dj0 s VAL 113 Cb -0.11 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 2dj0 s VAL 113 CO 0.25 0.14 2.31 -1.54 0.00 0.00 0.00 175.10 176.27 2dj0 n SER 114 N 0.71 2.76 -4.34 3.32 3.41 -1.26 -4.72 113.62 113.49 2dj0 n SER 114 Ca 0.00 -0.08 -0.28 0.00 -0.26 0.00 0.00 58.87 58.25 2dj0 n SER 114 Cb 0.41 -1.54 -0.13 0.00 -0.26 0.00 0.00 64.21 62.69 2dj0 n SER 114 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2dj0 s TRP 115 N 9.90 2.16 -0.15 7.33 -0.00 -1.26 -5.13 118.94 131.79 2dj0 s TRP 115 Ca 1.01 -0.39 -0.11 0.00 -0.00 0.00 0.00 56.10 56.61 2dj0 s TRP 115 Cb -0.32 -1.21 -0.05 0.00 -0.00 0.00 0.00 33.47 31.90 2dj0 s TRP 115 CO 0.33 0.24 0.21 0.99 -0.00 0.00 0.00 176.95 178.71 2dj0 s THR 116 N -0.99 5.37 -0.73 5.86 2.01 -1.26 -5.01 115.64 120.89 2dj0 s THR 116 Ca 0.11 0.37 -0.18 0.00 0.31 0.00 0.00 61.69 62.30 2dj0 s THR 116 Cb -0.10 -3.52 0.14 0.00 0.01 0.00 0.00 72.50 69.02 2dj0 s THR 116 CO 0.04 0.48 0.82 -0.36 -0.69 0.00 0.00 174.62 174.92 2dj0 s PHE 117 N -0.10 3.20 0.25 4.92 0.40 -1.26 -4.83 117.98 120.54 2dj0 s PHE 117 Ca 0.14 -1.29 0.00 0.00 -0.60 0.00 0.00 56.93 55.18 2dj0 s PHE 117 Cb -0.12 -4.04 -0.00 0.00 0.51 0.00 0.00 43.02 39.37 2dj0 s PHE 117 CO 0.03 -1.28 0.02 -1.13 0.70 0.00 0.00 175.22 173.56 2dj0 n SER 118 N 5.86 2.38 0.06 1.36 3.41 -1.26 -4.92 113.62 120.52 2dj0 n SER 118 Ca 0.04 -2.12 0.05 0.00 -0.26 0.00 0.00 58.87 56.57 2dj0 n SER 118 Cb 0.45 0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 64.60 2dj0 n SER 118 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2dj0 n GLU 119 N -0.60 0.61 -0.10 4.33 2.13 -1.26 -3.80 120.64 121.95 2dj0 n GLU 119 Ca -0.09 0.18 -0.15 0.00 0.66 0.00 0.00 57.16 57.75 2dj0 n GLU 119 Cb 0.32 -1.81 -0.07 0.00 0.27 0.00 0.00 31.44 30.15 2dj0 n GLU 119 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2dj0 n GLU 120 N -2.79 0.52 -0.30 5.31 0.28 -1.26 -3.74 120.64 118.66 2dj0 n GLU 120 Ca -0.06 0.46 0.28 0.00 -0.16 0.00 0.00 57.16 57.69 2dj0 n GLU 120 Cb 0.72 -1.65 0.63 0.00 1.43 0.00 0.00 31.44 32.57 2dj0 n GLU 120 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2dj0 h ASN 121 N -1.00 0.21 -0.09 -1.84 4.21 -1.91 0.12 115.58 115.28 2dj0 h ASN 121 Ca -0.23 0.04 -0.05 0.00 1.21 0.00 0.00 56.30 57.27 2dj0 h ASN 121 Cb 1.03 0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 38.24 2dj0 h ASN 121 CO -0.14 0.04 -0.12 0.58 -1.29 0.00 0.00 177.43 176.49 2dj0 h VAL 122 N 0.19 1.38 -0.59 2.81 2.07 -1.75 0.28 116.25 120.64 2dj0 h VAL 122 Ca 0.56 -1.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 2dj0 h VAL 122 Cb 1.81 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 33.60 2dj0 h VAL 122 CO -0.14 0.38 0.10 0.40 0.02 0.00 0.00 177.57 178.33 2dj0 h ILE 123 N -0.18 1.25 0.09 4.57 2.04 -0.96 -0.45 117.51 123.86 2dj0 h ILE 123 Ca 0.01 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 2dj0 h ILE 123 Cb 0.67 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2dj0 h ILE 123 CO 0.03 0.35 -0.04 -0.09 0.00 0.00 0.00 178.15 178.40 2dj0 h ARG 124 N 0.89 -0.12 -0.91 2.37 9.65 -0.91 0.76 114.38 126.12 2dj0 h ARG 124 Ca 0.18 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 59.20 2dj0 h ARG 124 Cb 0.38 0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.92 2dj0 h ARG 124 CO 0.01 0.38 0.58 0.93 2.80 0.00 0.00 179.97 184.67 2dj0 h GLU 125 N -0.91 0.77 -0.33 0.20 4.39 -0.46 0.28 114.58 118.53 2dj0 h GLU 125 Ca -0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2dj0 h GLU 125 Cb 0.55 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2dj0 h GLU 125 CO 0.02 0.51 0.00 1.19 -1.16 0.00 0.00 179.01 179.57 2dj0 n PHE 126 N -4.56 0.42 -2.55 4.33 3.01 -0.18 -4.94 117.46 112.97 2dj0 n PHE 126 Ca 0.17 -0.23 -0.04 0.00 1.01 0.00 0.00 57.45 58.36 2dj0 n PHE 126 Cb 0.40 -0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.87 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 1.31 -1.65 -0.42 4.37 4.13 0.23 -4.71 115.26 118.53 2dj0 n ASN 127 Ca 0.17 0.38 0.39 0.00 1.68 0.00 0.00 54.58 57.20 2dj0 n ASN 127 Cb 0.56 -1.51 0.75 0.00 -1.54 0.00 0.00 39.78 38.03 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 -0.04 0.04 -0.59 3.41 3.38 -0.97 0.43 115.31 120.98 2dj0 h LEU 128 Ca -0.08 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2dj0 h LEU 128 Cb 1.06 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 2dj0 h LEU 128 CO 0.10 -0.00 0.36 -1.13 0.09 0.00 0.00 178.44 177.85 2dj0 h ASN 129 N 0.03 0.58 0.19 -0.43 -0.73 -1.84 -2.65 115.58 110.73 2dj0 h ASN 129 Ca 0.67 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.84 2dj0 h ASN 129 Cb 2.60 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 41.08 2dj0 h ASN 129 CO -0.05 0.41 -0.09 -0.33 -0.37 0.00 0.00 177.43 177.00 2dj0 h GLU 130 N 0.71 -0.24 -0.81 6.67 4.39 -0.50 -1.98 114.58 122.82 2dj0 h GLU 130 Ca 0.24 0.02 0.07 0.00 0.34 0.00 0.00 59.36 60.03 2dj0 h GLU 130 Cb 0.03 0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 28.64 2dj0 h GLU 130 CO -0.10 0.15 -0.48 1.28 -1.16 0.00 0.00 179.01 178.70 2dj0 n LEU 131 N -4.95 -0.85 0.05 1.33 4.77 -0.94 -0.77 117.00 115.64 2dj0 n LEU 131 Ca -0.08 1.47 -0.13 0.00 -0.03 0.00 0.00 56.01 57.25 2dj0 n LEU 131 Cb 0.26 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 2dj0 n LEU 131 CO 0.24 -1.19 0.72 -1.28 -1.33 0.00 0.00 177.39 174.56 2dj0 h SER 132 N 0.00 -0.08 -3.87 -1.43 0.87 -1.59 -3.50 113.55 103.95 2dj0 h SER 132 Ca 0.13 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2dj0 h SER 132 Cb 0.33 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2dj0 h SER 132 CO -0.76 0.17 0.00 0.61 -0.53 0.00 0.00 176.83 176.33 2dj0 n GLY 133 N -0.47 3.60 3.63 5.77 0.00 0.05 -5.03 105.19 112.73 2dj0 n GLY 133 Ca -0.08 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 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 -4.20 3.79 -0.06 1.61 0.04 -1.26 -4.87 135.00 130.04 2dj0 s PRO 134 Ca 0.00 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2dj0 s PRO 134 Cb 0.00 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.47 2dj0 s PRO 134 CO 0.00 -1.30 -0.04 0.45 0.04 0.00 0.00 177.00 176.15 2dj0 s SER 135 N 4.23 4.85 -0.16 6.66 0.15 -1.26 -5.04 113.70 123.14 2dj0 s SER 135 Ca 0.71 0.02 -0.23 0.00 0.70 0.00 0.00 55.95 57.15 2dj0 s SER 135 Cb -0.25 -1.26 -0.20 0.00 -1.71 0.00 0.00 66.02 62.60 2dj0 s SER 135 CO 0.29 0.35 0.46 0.28 1.20 0.00 0.00 173.24 175.82 2dj0 h SER 136 N 5.08 0.00 -0.02 5.45 0.02 -2.07 -3.56 113.55 118.45 2dj0 h SER 136 Ca -0.49 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 59.77 2dj0 h SER 136 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2dj0 h SER 136 CO 0.53 1.12 0.00 0.61 -1.14 0.00 0.00 176.83 177.96