#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 4.56 -0.25 1.61 0.01 -1.26 -5.05 113.70 113.32 2dj0 s SER 2 Ca 0.00 -2.03 -0.02 0.00 1.31 0.00 0.00 55.95 55.22 2dj0 s SER 2 Cb 0.00 -1.42 0.13 0.00 0.21 0.00 0.00 66.02 64.94 2dj0 s SER 2 CO 0.00 -0.39 0.32 -0.44 0.41 0.00 0.00 173.24 173.14 2dj0 s SER 3 N 1.08 0.99 0.00 2.44 0.01 -1.26 -5.15 113.70 111.82 2dj0 s SER 3 Ca 0.11 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2dj0 s SER 3 Cb -0.19 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.79 2dj0 s SER 3 CO -0.13 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.79 2dj0 n GLY 4 N 5.33 1.42 3.50 3.44 0.00 -1.26 -5.15 105.19 112.47 2dj0 n GLY 4 Ca -0.03 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 2dj0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dj0 s SER 5 N -1.00 -0.42 -0.24 1.61 0.15 -1.26 -5.15 113.70 107.39 2dj0 s SER 5 Ca 0.00 0.11 -0.11 0.00 0.70 0.00 0.00 55.95 56.65 2dj0 s SER 5 Cb 0.00 0.42 -0.05 0.00 -1.71 0.00 0.00 66.02 64.68 2dj0 s SER 5 CO 0.00 -0.64 0.19 -0.55 1.20 0.00 0.00 173.24 173.44 2dj0 s SER 6 N -2.24 6.15 -0.30 5.45 0.15 -1.26 -4.71 113.70 116.93 2dj0 s SER 6 Ca 0.02 0.15 -0.27 0.00 0.70 0.00 0.00 55.95 56.55 2dj0 s SER 6 Cb -0.01 -2.12 0.04 0.00 -1.71 0.00 0.00 66.02 62.22 2dj0 s SER 6 CO -0.07 0.04 0.45 0.61 1.20 0.00 0.00 173.24 175.48 2dj0 n GLY 7 N 4.28 0.13 2.98 9.45 0.00 -1.26 -4.95 105.19 115.82 2dj0 n GLY 7 Ca -0.14 0.79 -0.26 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.05 1.54 -0.02 1.61 1.13 -1.26 -5.13 117.35 114.16 2dj0 s TYR 8 Ca 0.26 -0.68 0.06 0.00 -1.41 0.00 0.00 57.07 55.30 2dj0 s TYR 8 Cb -0.03 -1.19 -0.01 0.00 -1.10 0.00 0.00 41.96 39.63 2dj0 s TYR 8 CO 0.59 -0.41 -0.20 0.42 -2.51 0.00 0.00 175.55 173.44 2dj0 s ILE 9 N 1.15 1.61 -0.93 -3.49 1.01 -1.26 -4.85 121.20 114.44 2dj0 s ILE 9 Ca -0.05 -0.86 -0.23 0.00 0.00 0.00 0.00 60.65 59.51 2dj0 s ILE 9 Cb -0.14 -1.35 0.06 0.00 0.01 0.00 0.00 42.46 41.04 2dj0 s ILE 9 CO -0.02 0.46 1.32 -0.75 0.00 0.00 0.00 174.94 175.95 2dj0 s LYS 10 N -0.35 3.50 0.50 2.79 2.20 -1.06 -4.85 119.74 122.47 2dj0 s LYS 10 Ca 0.05 -1.09 -0.23 0.00 -0.36 0.00 0.00 55.97 54.34 2dj0 s LYS 10 Cb -0.09 -5.01 -0.06 0.00 -1.51 0.00 0.00 37.83 31.16 2dj0 s LYS 10 CO 0.00 -2.09 1.31 0.71 -0.36 0.00 0.00 175.35 174.93 2dj0 s TYR 11 N 4.57 2.50 -0.02 4.03 1.51 -1.26 -3.72 117.35 124.96 2dj0 s TYR 11 Ca 0.40 1.41 0.04 0.00 -1.01 0.00 0.00 57.07 57.91 2dj0 s TYR 11 Cb -0.03 -3.69 -0.01 0.00 -0.11 0.00 0.00 41.96 38.12 2dj0 s TYR 11 CO -0.05 -2.47 -0.15 -0.06 -1.11 0.00 0.00 175.55 171.71 2dj0 s PHE 12 N -1.35 1.39 1.01 2.71 0.08 -1.25 -4.93 117.98 115.63 2dj0 s PHE 12 Ca 0.67 -0.30 -0.17 0.00 0.12 0.00 0.00 56.93 57.25 2dj0 s PHE 12 Cb -0.37 -0.91 0.24 0.00 -0.57 0.00 0.00 43.02 41.40 2dj0 s PHE 12 CO 0.45 -0.06 1.22 0.09 -0.10 0.00 0.00 175.22 176.83 2dj0 n ASN 13 N 2.85 -0.51 0.17 1.36 3.02 -1.26 -4.71 115.26 116.18 2dj0 n ASN 13 Ca -0.15 -1.38 0.04 0.00 -0.03 0.00 0.00 54.58 53.06 2dj0 n ASN 13 Cb 0.54 -0.98 0.27 0.00 -0.61 0.00 0.00 39.78 39.00 2dj0 n ASN 13 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2dj0 h ASP 14 N -1.96 0.00 0.01 6.41 2.03 -1.98 -2.18 116.42 118.75 2dj0 h ASP 14 Ca -0.41 0.00 -0.39 0.00 -0.73 0.00 0.00 57.03 55.50 2dj0 h ASP 14 Cb 1.16 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.61 2dj0 h ASP 14 CO 0.28 0.44 -2.22 1.17 -1.03 0.00 0.00 179.24 177.89 2dj0 n LYS 15 N -3.53 0.62 -0.27 4.15 0.00 -1.26 -4.46 118.16 113.41 2dj0 n LYS 15 Ca -0.00 0.30 -0.03 0.00 0.00 0.00 0.00 58.31 58.57 2dj0 n LYS 15 Cb 0.56 -1.57 0.08 0.00 0.00 0.00 0.00 35.03 34.10 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 -0.64 1.15 -1.06 3.15 1.35 -1.94 -1.92 112.91 112.99 2dj0 h THR 16 Ca -0.58 -0.33 0.31 0.00 -0.55 0.00 0.00 66.41 65.26 2dj0 h THR 16 Cb 1.67 0.09 -0.04 0.00 -1.73 0.00 0.00 68.15 68.13 2dj0 h THR 16 CO -0.25 0.18 1.12 -0.29 -0.25 0.00 0.00 175.52 176.03 2dj0 h ILE 17 N 0.97 0.07 0.00 6.82 2.10 -1.61 0.62 117.51 126.49 2dj0 h ILE 17 Ca 0.29 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.23 2dj0 h ILE 17 Cb -0.04 0.11 0.00 0.00 -1.09 0.00 0.00 36.82 35.80 2dj0 h ILE 17 CO -0.09 0.00 -0.24 -0.78 -1.08 0.00 0.00 178.15 175.96 2dj0 h ASP 18 N 0.00 0.00 -0.88 2.19 1.82 -1.60 -3.14 116.42 114.81 2dj0 h ASP 18 Ca 0.50 0.00 0.24 0.00 -0.39 0.00 0.00 57.03 57.38 2dj0 h ASP 18 Cb 2.74 0.00 -0.15 0.00 0.68 0.00 0.00 39.33 42.61 2dj0 h ASP 18 CO -0.01 0.46 0.19 1.05 -1.61 0.00 0.00 179.24 179.32 2dj0 h GLU 19 N -0.68 0.16 0.80 0.28 4.11 -1.16 0.17 114.58 118.26 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 0.24 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.46 2dj0 h GLU 19 CO 0.00 0.10 -0.38 1.49 0.07 0.00 0.00 179.01 180.29 2dj0 h GLU 20 N 0.16 -1.03 0.00 1.06 4.57 -1.13 -0.43 114.58 117.78 2dj0 h GLU 20 Ca 0.55 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.80 2dj0 h GLU 20 Cb 1.11 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 2dj0 h GLU 20 CO -0.70 -0.68 0.25 -0.07 -1.18 0.00 0.00 179.01 176.64 2dj0 h LEU 21 N -1.21 0.00 0.19 1.64 3.38 -1.19 0.20 115.31 118.32 2dj0 h LEU 21 Ca -0.11 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.53 2dj0 h LEU 21 Cb 0.83 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.60 2dj0 h LEU 21 CO 0.18 0.00 -1.59 -0.08 0.09 0.00 0.00 178.44 177.04 2dj0 h GLU 22 N 0.00 0.40 -0.00 1.13 4.81 -0.26 -2.19 114.58 118.46 2dj0 h GLU 22 Ca 0.00 -0.68 0.00 0.00 -0.13 0.00 0.00 59.36 58.55 2dj0 h GLU 22 Cb 0.50 0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.13 2dj0 h GLU 22 CO 0.00 1.32 -0.10 2.89 -0.73 0.00 0.00 179.01 182.40 2dj0 n ARG 23 N -3.71 0.29 -0.04 1.92 1.85 -0.02 -3.31 116.66 113.65 2dj0 n ARG 23 Ca -0.23 -0.06 0.03 0.00 -1.00 0.00 0.00 57.85 56.59 2dj0 n ARG 23 Cb 1.04 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 31.00 2dj0 n ARG 23 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2dj0 n ASP 24 N -1.30 1.93 0.00 2.89 5.68 0.49 -4.88 116.55 121.37 2dj0 n ASP 24 Ca 0.11 -2.31 0.00 0.00 -0.50 0.00 0.00 54.79 52.09 2dj0 n ASP 24 Cb 0.30 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 2dj0 n ASP 24 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2dj0 n LYS 25 N -0.77 0.00 -0.34 0.11 5.02 -0.82 0.40 118.16 121.75 2dj0 n LYS 25 Ca 0.05 0.70 0.12 0.00 -2.02 0.00 0.00 58.31 57.16 2dj0 n LYS 25 Cb 0.41 -1.08 0.24 0.00 -0.02 0.00 0.00 35.03 34.58 2dj0 n LYS 25 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2dj0 h ARG 26 N 0.00 0.01 -6.72 1.97 0.11 -1.88 -2.62 114.38 105.24 2dj0 h ARG 26 Ca 0.00 -0.00 -0.52 0.00 0.10 0.00 0.00 59.98 59.56 2dj0 h ARG 26 Cb 0.00 -0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.10 2dj0 h ARG 26 CO 0.00 0.01 0.55 0.08 0.10 0.00 0.00 179.97 180.71 2dj0 s VAL 27 N -6.08 3.44 0.32 0.08 1.01 0.16 -4.31 120.40 115.03 2dj0 s VAL 27 Ca -0.14 1.28 -0.27 0.00 0.00 0.00 0.00 61.98 62.86 2dj0 s VAL 27 Cb 0.28 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.75 2dj0 s VAL 27 CO 0.78 0.24 1.05 -0.89 0.00 0.00 0.00 175.10 176.28 2dj0 s THR 28 N -0.42 3.68 -0.01 3.92 2.01 -1.26 -4.59 115.64 118.95 2dj0 s THR 28 Ca 0.51 1.51 0.00 0.00 0.31 0.00 0.00 61.69 64.02 2dj0 s THR 28 Cb -0.33 -3.89 0.01 0.00 0.01 0.00 0.00 72.50 68.30 2dj0 s THR 28 CO 0.39 0.23 0.00 0.26 -0.69 0.00 0.00 174.62 174.82 2dj0 s TRP 29 N -1.38 0.15 -0.32 4.92 0.52 -1.04 -4.11 118.94 117.69 2dj0 s TRP 29 Ca 0.49 0.02 0.02 0.00 0.02 0.00 0.00 56.10 56.65 2dj0 s TRP 29 Cb -0.27 -0.21 0.08 0.00 -1.15 0.00 0.00 33.47 31.92 2dj0 s TRP 29 CO 0.34 -0.06 0.01 -1.50 0.02 0.00 0.00 176.95 175.77 2dj0 s ILE 30 N 0.53 2.51 -0.12 2.03 2.07 -1.24 -1.71 121.20 125.27 2dj0 s ILE 30 Ca -0.05 -1.93 -0.06 0.00 -1.41 0.00 0.00 60.65 57.21 2dj0 s ILE 30 Cb -0.07 -2.65 -0.04 0.00 0.13 0.00 0.00 42.46 39.83 2dj0 s ILE 30 CO -0.01 -0.36 0.09 -0.69 -1.91 0.00 0.00 174.94 172.06 2dj0 s VAL 31 N 1.05 5.07 -0.19 4.00 1.01 -1.22 -1.96 120.40 128.18 2dj0 s VAL 31 Ca 0.02 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 2dj0 s VAL 31 Cb -0.20 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2dj0 s VAL 31 CO -0.05 0.59 0.00 -0.70 0.00 0.00 0.00 175.10 174.94 2dj0 s GLU 32 N -0.76 3.70 -0.48 2.72 2.12 -0.61 -3.19 118.70 122.21 2dj0 s GLU 32 Ca 0.13 -0.49 -0.16 0.00 0.36 0.00 0.00 54.97 54.81 2dj0 s GLU 32 Cb -0.12 -3.07 0.07 0.00 0.26 0.00 0.00 34.13 31.28 2dj0 s GLU 32 CO 0.03 0.12 0.45 -0.06 -0.54 0.00 0.00 175.26 175.26 2dj0 s PHE 33 N 0.72 3.19 0.28 5.30 0.40 0.17 -2.22 117.98 125.82 2dj0 s PHE 33 Ca 0.00 -0.82 0.07 0.00 -0.60 0.00 0.00 56.93 55.58 2dj0 s PHE 33 Cb -0.14 -3.26 -0.06 0.00 0.51 0.00 0.00 43.02 40.08 2dj0 s PHE 33 CO 0.02 -0.86 -0.07 -0.59 0.70 0.00 0.00 175.22 174.42 2dj0 s PHE 34 N 1.90 1.97 0.39 0.36 -0.71 -1.16 -1.59 117.98 119.15 2dj0 s PHE 34 Ca 0.07 -0.66 0.08 0.00 -1.04 0.00 0.00 56.93 55.37 2dj0 s PHE 34 Cb -0.23 -1.10 -0.07 0.00 -1.21 0.00 0.00 43.02 40.42 2dj0 s PHE 34 CO 0.08 0.32 0.06 0.00 -1.34 0.00 0.00 175.22 174.34 2dj0 s ALA 35 N -2.96 3.29 -0.48 1.99 0.00 -1.26 -0.04 121.76 122.30 2dj0 s ALA 35 Ca 0.29 -2.18 0.23 0.00 0.00 0.00 0.00 51.96 50.31 2dj0 s ALA 35 Cb 0.03 -0.11 0.18 0.00 0.00 0.00 0.00 23.12 23.22 2dj0 s ALA 35 CO 0.12 -0.09 1.19 -0.91 0.00 0.00 0.00 175.76 176.07 2dj0 h ASN 36 N 1.68 0.00 -0.24 0.00 4.21 -1.96 -3.31 115.58 115.97 2dj0 h ASN 36 Ca -0.43 -0.14 0.00 0.00 1.21 0.00 0.00 56.30 56.93 2dj0 h ASN 36 Cb 1.25 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 2dj0 h ASN 36 CO 0.74 0.07 0.00 -2.67 -1.29 0.00 0.00 177.43 174.29 2dj0 n TRP 37 N -2.34 0.30 -3.09 1.19 4.27 -1.26 -4.93 117.44 111.58 2dj0 n TRP 37 Ca 0.02 -0.23 -0.41 0.00 -3.89 0.00 0.00 57.50 52.99 2dj0 n TRP 37 Cb 0.48 -0.01 -0.06 0.00 -1.36 0.00 0.00 31.31 30.36 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 -1.19 6.52 0.08 -0.67 0.01 -1.25 -4.94 113.70 112.26 2dj0 s SER 38 Ca 0.26 0.46 -0.07 0.00 1.31 0.00 0.00 55.95 57.91 2dj0 s SER 38 Cb 0.15 -2.34 -0.25 0.00 0.21 0.00 0.00 66.02 63.79 2dj0 s SER 38 CO 0.22 -0.49 1.16 -0.55 0.41 0.00 0.00 173.24 173.98 2dj0 h ASN 39 N 8.17 0.54 -0.07 2.44 7.08 -1.91 -3.23 115.58 128.60 2dj0 h ASN 39 Ca -0.26 -0.54 0.02 0.00 -3.08 0.00 0.00 56.30 52.44 2dj0 h ASN 39 Cb 1.12 -0.17 -0.00 0.00 -2.08 0.00 0.00 38.32 37.18 2dj0 h ASN 39 CO 0.81 1.39 0.07 -0.78 -2.08 0.00 0.00 177.43 176.85 2dj0 h ASP 40 N 0.13 0.00 1.56 6.14 1.82 -1.92 0.13 116.42 124.28 2dj0 h ASP 40 Ca -0.14 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 2dj0 h ASP 40 Cb 1.91 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.92 2dj0 h ASP 40 CO 0.21 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.84 2dj0 h GLN 42 N 0.00 0.96 0.00 0.00 1.08 -0.84 -0.97 115.11 115.34 2dj0 h GLN 42 Ca 0.00 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 2dj0 h GLN 42 Cb 0.78 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 2dj0 h GLN 42 CO 0.00 0.94 0.00 0.77 -0.95 0.00 0.00 178.83 179.59 2dj0 h SER 43 N 0.85 0.00 0.35 1.46 0.02 -1.62 -2.52 113.55 112.08 2dj0 h SER 43 Ca 0.16 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.85 2dj0 h SER 43 Cb 0.48 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.97 2dj0 h SER 43 CO 0.02 0.00 -1.87 0.33 -1.14 0.00 0.00 176.83 174.17 2dj0 n PHE 44 N -2.49 0.61 -0.27 3.45 7.35 -0.86 -4.20 117.46 121.05 2dj0 n PHE 44 Ca 0.01 0.21 -0.07 0.00 -0.76 0.00 0.00 57.45 56.84 2dj0 n PHE 44 Cb 0.21 -1.05 -0.06 0.00 0.35 0.00 0.00 39.48 38.92 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 -2.55 -0.42 -0.00 3.13 0.00 -0.43 0.45 120.51 120.69 2dj0 n ALA 45 Ca -0.19 0.55 -0.07 0.00 0.00 0.00 0.00 53.44 53.73 2dj0 n ALA 45 Cb 1.00 -0.06 0.10 0.00 0.00 0.00 0.00 19.45 20.49 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 0.55 0.88 0.00 0.13 -1.78 -2.87 132.00 128.91 2dj0 h PRO 46 Ca 0.10 -0.29 -0.04 0.00 -0.87 0.00 0.00 66.00 64.90 2dj0 h PRO 46 Cb 0.27 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.41 2dj0 h PRO 46 CO -0.61 0.88 -0.48 0.82 -0.23 0.00 0.00 178.00 178.38 2dj0 h ILE 47 N 0.45 0.03 -0.59 -3.56 2.04 -0.17 -0.93 117.51 114.78 2dj0 h ILE 47 Ca 0.03 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.98 2dj0 h ILE 47 Cb 0.94 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 2dj0 h ILE 47 CO 0.08 0.00 0.23 0.22 0.00 0.00 0.00 178.15 178.68 2dj0 h TYR 48 N -1.25 0.40 -0.18 1.37 3.20 -0.45 -1.39 116.97 118.66 2dj0 h TYR 48 Ca -0.12 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.83 2dj0 h TYR 48 Cb 0.98 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.12 2dj0 h TYR 48 CO -0.06 0.11 -0.11 0.00 -1.64 0.00 0.00 178.16 176.46 2dj0 h ALA 49 N 1.40 0.03 -0.52 1.82 0.00 -1.37 0.15 119.26 120.78 2dj0 h ALA 49 Ca 0.30 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.32 2dj0 h ALA 49 Cb 0.35 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2dj0 h ALA 49 CO -0.29 -0.55 0.27 0.22 0.00 0.00 0.00 179.25 178.91 2dj0 h ASP 50 N -0.11 0.40 0.87 0.00 1.82 -0.53 -1.51 116.42 117.36 2dj0 h ASP 50 Ca 0.11 0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.73 2dj0 h ASP 50 Cb 0.26 -0.05 0.01 0.00 0.68 0.00 0.00 39.33 40.23 2dj0 h ASP 50 CO -0.25 0.28 -0.42 -0.07 -1.61 0.00 0.00 179.24 177.17 2dj0 h LEU 51 N 0.53 -0.99 -0.66 2.28 3.38 -0.70 -2.16 115.31 116.99 2dj0 h LEU 51 Ca 0.22 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.34 2dj0 h LEU 51 Cb 0.11 0.26 -0.12 0.00 0.09 0.00 0.00 40.66 41.00 2dj0 h LEU 51 CO -0.14 -0.66 -0.33 0.77 0.09 0.00 0.00 178.44 178.16 2dj0 h SER 52 N -1.27 -1.18 -0.88 -0.43 4.64 -0.63 0.32 113.55 114.12 2dj0 h SER 52 Ca -0.12 0.24 0.14 0.00 -0.47 0.00 0.00 61.79 61.58 2dj0 h SER 52 Cb 0.90 0.60 -0.09 0.00 -0.31 0.00 0.00 62.40 63.50 2dj0 h SER 52 CO 0.20 -0.30 0.48 -0.07 -0.87 0.00 0.00 176.83 176.27 2dj0 h LEU 53 N -0.13 0.63 -0.23 5.97 3.38 -1.26 1.21 115.31 124.88 2dj0 h LEU 53 Ca 0.26 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 2dj0 h LEU 53 Cb 0.56 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2dj0 h LEU 53 CO -0.73 0.29 0.06 0.50 0.09 0.00 0.00 178.44 178.65 2dj0 h LYS 54 N 0.71 0.37 -0.61 1.13 3.64 0.20 -2.65 116.57 119.36 2dj0 h LYS 54 Ca 0.47 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2dj0 h LYS 54 Cb 0.61 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2dj0 h LYS 54 CO -0.33 0.47 0.00 0.66 -2.27 0.00 0.00 179.45 177.98 2dj0 n TYR 55 N -4.75 0.98 -1.54 1.91 4.02 0.11 -4.42 117.16 113.47 2dj0 n TYR 55 Ca -0.03 -0.38 -0.30 0.00 -0.01 0.00 0.00 57.90 57.17 2dj0 n TYR 55 Cb 0.17 -0.19 -0.01 0.00 -0.02 0.00 0.00 39.34 39.29 2dj0 n TYR 55 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2dj0 n ASN 56 N 0.60 6.85 0.00 7.72 3.02 0.41 -4.54 115.26 129.32 2dj0 n ASN 56 Ca 0.16 -3.41 0.00 0.00 -0.03 0.00 0.00 54.58 51.31 2dj0 n ASN 56 Cb 0.63 -1.15 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 2dj0 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dj0 s THR 58 N -0.98 0.00 0.00 0.00 -1.32 -1.26 -4.99 115.64 107.09 2dj0 s THR 58 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2dj0 s THR 58 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2dj0 s THR 58 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2dj0 n GLY 59 N 3.05 2.90 3.36 6.08 0.00 -1.26 -4.96 105.19 114.36 2dj0 n GLY 59 Ca -0.16 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 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 4.82 0.42 0.99 2.96 -1.26 -4.48 118.68 122.12 2dj0 s LEU 60 Ca 0.00 -1.08 0.05 0.00 -0.22 0.00 0.00 54.13 52.88 2dj0 s LEU 60 Cb 0.00 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.67 2dj0 s LEU 60 CO 0.00 -0.42 0.58 0.20 -1.32 0.00 0.00 176.35 175.40 2dj0 s ASN 61 N 1.66 5.74 -0.03 3.68 0.01 -1.26 -4.45 114.94 120.29 2dj0 s ASN 61 Ca 0.02 -0.15 0.02 0.00 -0.71 0.00 0.00 52.86 52.04 2dj0 s ASN 61 Cb -0.20 -1.05 0.01 0.00 0.41 0.00 0.00 41.25 40.42 2dj0 s ASN 61 CO 0.06 -0.69 -0.07 -0.36 -1.51 0.00 0.00 177.10 174.53 2dj0 s PHE 62 N -2.39 0.80 0.06 2.20 0.40 -1.26 -3.66 117.98 114.13 2dj0 s PHE 62 Ca 0.51 -0.20 0.05 0.00 -0.60 0.00 0.00 56.93 56.68 2dj0 s PHE 62 Cb -0.10 -0.61 -0.03 0.00 0.51 0.00 0.00 43.02 42.80 2dj0 s PHE 62 CO 0.34 -0.11 -0.13 0.20 0.70 0.00 0.00 175.22 176.21 2dj0 s GLY 63 N 0.36 0.80 -0.10 4.36 0.00 -0.83 -2.55 107.32 109.36 2dj0 s GLY 63 Ca -0.05 -0.91 -0.01 0.00 0.00 0.00 0.00 44.72 43.75 2dj0 s GLY 63 CO 0.00 -0.92 -0.05 1.25 0.00 0.00 0.00 173.10 173.38 2dj0 s LYS 64 N -1.51 1.20 -0.08 2.90 2.20 -1.24 -1.57 119.74 121.64 2dj0 s LYS 64 Ca -0.02 -0.14 0.04 0.00 -0.36 0.00 0.00 55.97 55.49 2dj0 s LYS 64 Cb -0.09 -1.39 0.00 0.00 -1.51 0.00 0.00 37.83 34.84 2dj0 s LYS 64 CO 0.02 -0.29 -0.19 0.54 -0.36 0.00 0.00 175.35 175.07 2dj0 s VAL 65 N 1.80 1.61 -0.30 4.02 0.11 -0.94 -3.92 120.40 122.78 2dj0 s VAL 65 Ca 0.05 -0.77 -0.26 0.00 -2.93 0.00 0.00 61.98 58.06 2dj0 s VAL 65 Cb -0.13 -1.41 0.01 0.00 -1.53 0.00 0.00 36.38 33.32 2dj0 s VAL 65 CO -0.07 0.46 0.93 1.51 -3.33 0.00 0.00 175.10 174.60 2dj0 s ASP 66 N 0.39 6.83 -0.08 3.54 1.47 -1.26 -2.99 116.67 124.56 2dj0 s ASP 66 Ca -0.14 0.91 0.19 0.00 1.18 0.00 0.00 52.55 54.69 2dj0 s ASP 66 Cb -0.16 -2.48 -0.25 0.00 -0.34 0.00 0.00 42.92 39.69 2dj0 s ASP 66 CO 0.06 -0.72 0.38 1.33 0.68 0.00 0.00 175.17 176.89 2dj0 n VAL 67 N 5.63 0.87 0.10 2.11 0.24 0.94 -3.37 118.33 124.84 2dj0 n VAL 67 Ca 0.08 -0.70 0.01 0.00 -2.04 0.00 0.00 64.34 61.69 2dj0 n VAL 67 Cb 0.47 -0.36 0.06 0.00 -1.47 0.00 0.00 33.84 32.54 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 1.50 -0.51 0.00 7.63 0.00 -1.15 -2.29 105.19 110.37 2dj0 n GLY 68 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.42 2.57 -3.32 1.61 0.63 -1.26 -4.65 116.66 110.82 2dj0 n ARG 69 Ca 0.01 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.50 2dj0 n ARG 69 Cb 0.03 -0.91 -0.01 0.00 0.45 0.00 0.00 32.46 32.02 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 -1.56 4.72 -0.32 -0.14 4.02 -0.97 -4.87 117.16 118.04 2dj0 n TYR 70 Ca 0.00 -3.74 0.28 0.00 -0.01 0.00 0.00 57.90 54.44 2dj0 n TYR 70 Cb 0.28 -1.58 0.62 0.00 -0.02 0.00 0.00 39.34 38.64 2dj0 n TYR 70 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 2dj0 h THR 71 N 3.64 0.47 0.16 -0.72 1.35 -1.90 -1.48 112.91 114.41 2dj0 h THR 71 Ca 0.18 -0.07 0.01 0.00 -0.55 0.00 0.00 66.41 65.98 2dj0 h THR 71 Cb 0.82 0.24 -0.05 0.00 -1.73 0.00 0.00 68.15 67.44 2dj0 h THR 71 CO 1.05 0.04 -0.51 0.44 -0.25 0.00 0.00 175.52 176.29 2dj0 h ASP 72 N 0.21 -1.53 0.22 5.36 3.32 -1.91 -1.34 116.42 120.76 2dj0 h ASP 72 Ca 0.58 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.78 2dj0 h ASP 72 Cb 1.84 0.56 -0.01 0.00 0.22 0.00 0.00 39.33 41.94 2dj0 h ASP 72 CO -0.17 -0.56 -0.21 0.58 -1.72 0.00 0.00 179.24 177.16 2dj0 h VAL 73 N -0.77 0.00 -0.77 -1.35 2.07 -1.61 -1.64 116.25 112.18 2dj0 h VAL 73 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 2dj0 h VAL 73 Cb 0.76 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.44 2dj0 h VAL 73 CO -0.26 0.00 -0.46 -1.54 0.02 0.00 0.00 177.57 175.33 2dj0 n SER 74 N -3.58 -0.82 -0.32 0.57 3.41 -1.14 0.16 113.62 111.91 2dj0 n SER 74 Ca -0.05 1.38 0.08 0.00 -0.26 0.00 0.00 58.87 60.02 2dj0 n SER 74 Cb 0.19 -0.18 0.24 0.00 -0.26 0.00 0.00 64.21 64.20 2dj0 n SER 74 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2dj0 h THR 75 N 0.00 0.76 -0.09 6.66 2.02 -1.16 0.21 112.91 121.31 2dj0 h THR 75 Ca 0.12 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 2dj0 h THR 75 Cb 0.32 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 2dj0 h THR 75 CO -0.73 0.13 -0.21 -0.09 0.37 0.00 0.00 175.52 174.99 2dj0 h ARG 76 N 0.71 0.15 -0.61 6.66 2.43 0.25 -2.32 114.38 121.66 2dj0 h ARG 76 Ca 0.49 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.44 2dj0 h ARG 76 Cb 0.67 -0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.09 2dj0 h ARG 76 CO -0.35 0.37 0.19 0.66 -1.51 0.00 0.00 179.97 179.33 2dj0 n TYR 77 N -4.22 2.03 -4.49 2.20 4.02 0.49 -4.93 117.16 112.25 2dj0 n TYR 77 Ca -0.01 -1.22 -0.41 0.00 -0.01 0.00 0.00 57.90 56.25 2dj0 n TYR 77 Cb 0.31 -0.61 -0.08 0.00 -0.02 0.00 0.00 39.34 38.95 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 -0.38 -0.74 -3.67 -0.72 4.01 0.15 -4.88 118.16 111.93 2dj0 n LYS 78 Ca 0.37 0.13 -0.38 0.00 -0.51 0.00 0.00 58.31 57.93 2dj0 n LYS 78 Cb 1.26 -4.53 -0.12 0.00 -0.51 0.00 0.00 35.03 31.14 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 -3.36 4.73 0.37 -0.18 1.01 0.33 -5.00 120.40 118.30 2dj0 s VAL 79 Ca 0.73 -0.12 -0.26 0.00 0.00 0.00 0.00 61.98 62.33 2dj0 s VAL 79 Cb -0.43 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 2dj0 s VAL 79 CO 1.01 0.24 1.14 -0.44 0.00 0.00 0.00 175.10 177.06 2dj0 s SER 80 N 1.67 6.74 -0.45 3.32 0.01 -1.26 -4.35 113.70 119.38 2dj0 s SER 80 Ca 0.06 2.30 0.03 0.00 1.31 0.00 0.00 55.95 59.65 2dj0 s SER 80 Cb -0.16 -2.61 0.46 0.00 0.21 0.00 0.00 66.02 63.92 2dj0 s SER 80 CO 0.07 -0.52 1.57 0.35 0.41 0.00 0.00 173.24 175.12 2dj0 n THR 81 N 0.33 3.00 -4.00 1.44 -2.24 -1.26 -4.79 114.28 106.77 2dj0 n THR 81 Ca 0.03 -3.54 -0.34 0.00 -2.27 0.00 0.00 64.05 57.93 2dj0 n THR 81 Cb 0.46 -1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 67.56 2dj0 n THR 81 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2dj0 s SER 82 N -2.75 6.08 0.00 3.42 0.15 -1.26 -4.98 113.70 114.36 2dj0 s SER 82 Ca 0.56 0.31 0.12 0.00 0.70 0.00 0.00 55.95 57.64 2dj0 s SER 82 Cb 0.45 -1.87 0.71 0.00 -1.71 0.00 0.00 66.02 63.61 2dj0 s SER 82 CO 0.02 0.32 1.14 -0.81 1.20 0.00 0.00 173.24 175.11 2dj0 n PRO 83 N 1.42 0.49 -0.08 5.44 -0.04 -1.26 -2.58 135.00 138.39 2dj0 n PRO 83 Ca -0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.21 2dj0 n PRO 83 Cb 0.53 -1.38 -0.09 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.88 2.01 -4.62 1.53 4.77 -1.26 -5.02 117.00 113.52 2dj0 n LEU 84 Ca 0.09 -0.06 -0.31 0.00 -0.03 0.00 0.00 56.01 55.70 2dj0 n LEU 84 Cb 0.04 -0.30 0.19 0.00 -2.33 0.00 0.00 43.42 41.01 2dj0 n LEU 84 CO 0.07 0.65 0.62 1.07 -1.33 0.00 0.00 177.39 178.47 2dj0 n THR 85 N -2.85 0.00 -0.38 -5.08 5.66 -1.06 -4.95 114.28 105.62 2dj0 n THR 85 Ca -0.28 -0.09 0.06 0.00 -3.05 0.00 0.00 64.05 60.69 2dj0 n THR 85 Cb 0.87 -0.99 0.17 0.00 -1.55 0.00 0.00 70.33 68.83 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 -4.32 2.86 -0.31 1.09 4.01 -1.26 -4.58 118.16 115.66 2dj0 n LYS 86 Ca 0.10 -2.21 -0.02 0.00 -0.51 0.00 0.00 58.31 55.67 2dj0 n LYS 86 Cb 0.52 -1.39 0.08 0.00 -0.51 0.00 0.00 35.03 33.74 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 0.13 1.74 -3.67 1.97 6.02 -1.26 -4.64 117.38 117.67 2dj0 n GLN 87 Ca 0.13 -0.88 -0.09 0.00 -0.01 0.00 0.00 57.00 56.15 2dj0 n GLN 87 Cb 0.53 -1.53 -0.10 0.00 1.02 0.00 0.00 30.24 30.16 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 -0.87 -0.50 0.00 1.08 1.43 -1.26 -4.11 118.68 114.45 2dj0 s LEU 88 Ca 0.16 0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 54.06 2dj0 s LEU 88 Cb 0.13 1.30 0.20 0.00 0.03 0.00 0.00 46.19 47.84 2dj0 s LEU 88 CO 0.04 -0.22 0.72 -0.81 0.23 0.00 0.00 176.35 176.30 2dj0 n PRO 89 N 5.15 -2.42 -3.70 1.29 -0.04 -1.26 -4.81 135.00 129.20 2dj0 n PRO 89 Ca -0.11 -1.14 -0.11 0.00 -0.04 0.00 0.00 63.50 62.09 2dj0 n PRO 89 Cb 0.51 -1.07 -0.11 0.00 -0.04 0.00 0.00 33.50 32.78 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 -2.30 -0.02 -0.10 0.52 2.01 -0.62 -4.62 115.64 110.51 2dj0 s THR 90 Ca 0.46 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.56 2dj0 s THR 90 Cb -0.05 -0.59 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 2dj0 s THR 90 CO 0.36 0.04 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.45 2dj0 s LEU 91 N 1.30 2.82 -0.05 4.42 1.43 -0.54 -0.66 118.68 127.41 2dj0 s LEU 91 Ca -0.09 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2dj0 s LEU 91 Cb -0.08 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.54 2dj0 s LEU 91 CO -0.11 0.24 -0.06 -0.63 0.23 0.00 0.00 176.35 176.02 2dj0 s ILE 92 N -0.07 0.63 -0.29 -0.59 1.01 -1.19 -1.05 121.20 119.64 2dj0 s ILE 92 Ca -0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 2dj0 s ILE 92 Cb -0.14 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 2dj0 s ILE 92 CO 0.04 0.24 0.20 -0.22 0.00 0.00 0.00 174.94 175.20 2dj0 s LEU 93 N 0.87 4.14 -0.26 2.97 2.96 -1.17 -3.38 118.68 124.81 2dj0 s LEU 93 Ca -0.12 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.56 2dj0 s LEU 93 Cb -0.15 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 2dj0 s LEU 93 CO 0.01 -0.09 0.22 -0.36 -1.32 0.00 0.00 176.35 174.80 2dj0 s PHE 94 N 1.75 3.27 -0.31 5.38 0.08 -0.70 -2.35 117.98 125.10 2dj0 s PHE 94 Ca 0.07 0.23 0.01 0.00 0.12 0.00 0.00 56.93 57.36 2dj0 s PHE 94 Cb -0.16 -2.38 0.10 0.00 -0.57 0.00 0.00 43.02 40.00 2dj0 s PHE 94 CO 0.11 -0.09 0.08 -0.65 -0.10 0.00 0.00 175.22 174.57 2dj0 s GLN 95 N 1.54 0.98 0.00 0.44 -1.52 -1.07 -2.48 119.66 117.55 2dj0 s GLN 95 Ca 0.09 -1.31 0.00 0.00 -1.95 0.00 0.00 55.36 52.20 2dj0 s GLN 95 Cb -0.15 -2.39 0.00 0.00 -0.22 0.00 0.00 33.01 30.25 2dj0 s GLN 95 CO 0.08 -0.95 0.00 0.41 -0.25 0.00 0.00 175.29 174.58 2dj0 n GLY 96 N 4.66 0.50 0.52 3.09 0.00 -0.99 -3.34 105.19 109.63 2dj0 n GLY 96 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.93 0.87 3.76 -0.02 0.00 -1.24 -4.66 105.19 100.96 2dj0 n GLY 97 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.73 2.19 -0.97 1.61 3.01 -1.21 -5.08 119.74 118.56 2dj0 s LYS 98 Ca 0.00 -2.01 -0.08 0.00 -1.01 0.00 0.00 55.97 52.87 2dj0 s LYS 98 Cb 0.00 -1.88 0.24 0.00 -1.01 0.00 0.00 37.83 35.19 2dj0 s LYS 98 CO 0.00 -0.24 0.91 -2.00 0.51 0.00 0.00 175.35 174.53 2dj0 s GLU 99 N -3.94 3.73 0.13 1.68 2.12 -1.26 -2.59 118.70 118.57 2dj0 s GLU 99 Ca 0.32 -3.06 -0.30 0.00 0.36 0.00 0.00 54.97 52.30 2dj0 s GLU 99 Cb 0.03 -4.31 -0.07 0.00 0.26 0.00 0.00 34.13 30.03 2dj0 s GLU 99 CO 0.18 -1.25 1.57 0.00 -0.54 0.00 0.00 175.26 175.22 2dj0 h ALA 100 N 6.71 -0.67 -2.96 6.30 0.00 -1.80 -3.46 119.26 123.38 2dj0 h ALA 100 Ca 0.15 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.82 2dj0 h ALA 100 Cb 0.89 0.85 -0.06 0.00 0.00 0.00 0.00 17.79 19.48 2dj0 h ALA 100 CO 0.90 -0.97 -0.06 0.00 0.00 0.00 0.00 179.25 179.12 2dj0 s MET 101 N -5.84 2.04 -0.28 0.00 0.00 -1.26 -5.05 119.30 108.92 2dj0 s MET 101 Ca -0.15 -1.70 -0.24 0.00 0.00 0.00 0.00 55.69 53.59 2dj0 s MET 101 Cb 0.09 0.49 0.09 0.00 0.00 0.00 0.00 34.83 35.51 2dj0 s MET 101 CO 0.63 -0.88 0.83 -0.98 0.00 0.00 0.00 175.02 174.63 2dj0 s ARG 102 N -2.77 0.70 -0.07 3.16 1.70 -1.26 -3.03 118.95 117.38 2dj0 s ARG 102 Ca 0.27 0.88 0.04 0.00 -0.47 0.00 0.00 55.73 56.44 2dj0 s ARG 102 Cb -0.02 0.31 0.00 0.00 -0.57 0.00 0.00 34.95 34.68 2dj0 s ARG 102 CO 0.19 -0.09 -0.19 1.03 -1.08 0.00 0.00 175.30 175.15 2dj0 s ARG 103 N 0.50 2.24 0.87 3.89 3.00 -0.22 -2.82 118.95 126.41 2dj0 s ARG 103 Ca -0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 55.73 54.93 2dj0 s ARG 103 Cb -0.05 -1.82 0.11 0.00 0.00 0.00 0.00 34.95 33.19 2dj0 s ARG 103 CO -0.04 0.19 1.09 -1.25 0.00 0.00 0.00 175.30 175.29 2dj0 s PRO 104 N 0.24 1.51 0.14 3.54 0.04 -1.26 -1.46 135.00 137.74 2dj0 s PRO 104 Ca -0.11 0.91 -0.22 0.00 0.04 0.00 0.00 61.00 61.62 2dj0 s PRO 104 Cb -0.15 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 2dj0 s PRO 104 CO 0.05 -2.09 0.68 1.14 0.04 0.00 0.00 177.00 176.82 2dj0 s GLN 105 N -4.93 4.36 -0.31 4.56 0.00 -1.13 -4.82 119.66 117.40 2dj0 s GLN 105 Ca 0.63 0.93 -0.17 0.00 -0.00 0.00 0.00 55.36 56.75 2dj0 s GLN 105 Cb -0.18 -3.19 -0.02 0.00 0.00 0.00 0.00 33.01 29.63 2dj0 s GLN 105 CO 0.57 0.57 0.47 0.42 0.00 0.00 0.00 175.29 177.32 2dj0 s ILE 106 N -1.20 5.07 0.84 3.63 -1.09 -1.26 -1.60 121.20 125.60 2dj0 s ILE 106 Ca 0.34 0.51 -0.12 0.00 -2.23 0.00 0.00 60.65 59.15 2dj0 s ILE 106 Cb -0.21 -3.86 0.10 0.00 -1.58 0.00 0.00 42.46 36.91 2dj0 s ILE 106 CO 0.22 -0.05 1.11 -0.62 -1.23 0.00 0.00 174.94 174.37 2dj0 s ASP 107 N 1.68 4.08 0.20 3.58 2.15 -0.93 -4.88 116.67 122.54 2dj0 s ASP 107 Ca 0.18 1.17 -0.17 0.00 0.43 0.00 0.00 52.55 54.16 2dj0 s ASP 107 Cb -0.16 -1.84 0.18 0.00 -0.30 0.00 0.00 42.92 40.81 2dj0 s ASP 107 CO 0.11 -2.21 1.60 0.11 -0.17 0.00 0.00 175.17 174.61 2dj0 h LYS 108 N -1.26 -0.09 -0.94 4.34 1.57 -1.97 0.89 116.57 119.11 2dj0 h LYS 108 Ca -0.48 0.01 0.27 0.00 -1.87 0.00 0.00 60.65 58.57 2dj0 h LYS 108 Cb 1.29 0.02 -0.17 0.00 0.08 0.00 0.00 32.23 33.46 2dj0 h LYS 108 CO 0.60 -0.06 0.15 0.87 -0.57 0.00 0.00 179.45 180.44 2dj0 h LYS 109 N -0.10 0.08 0.00 3.15 1.57 -2.04 -3.44 116.57 115.79 2dj0 h LYS 109 Ca 0.27 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2dj0 h LYS 109 Cb 0.52 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2dj0 h LYS 109 CO -0.68 0.05 0.00 0.41 -0.57 0.00 0.00 179.45 178.67 2dj0 n GLY 110 N -1.43 1.98 3.62 3.86 0.00 0.31 -5.14 105.19 108.39 2dj0 n GLY 110 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.20 1.98 -0.24 1.61 1.81 -1.25 -4.93 118.95 117.72 2dj0 s ARG 111 Ca 0.00 -2.02 -0.16 0.00 -1.72 0.00 0.00 55.73 51.83 2dj0 s ARG 111 Cb 0.00 -1.72 -0.04 0.00 -0.45 0.00 0.00 34.95 32.75 2dj0 s ARG 111 CO 0.00 -0.01 0.41 0.00 -0.68 0.00 0.00 175.30 175.02 2dj0 s ALA 112 N -2.66 3.57 -0.04 2.13 0.00 -1.26 -2.19 121.76 121.30 2dj0 s ALA 112 Ca 0.35 -0.67 -0.30 0.00 0.00 0.00 0.00 51.96 51.34 2dj0 s ALA 112 Cb 0.07 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.42 2dj0 s ALA 112 CO 0.18 -0.56 1.39 0.08 0.00 0.00 0.00 175.76 176.86 2dj0 s VAL 113 N 1.87 3.85 -0.64 0.00 1.01 -0.63 -4.89 120.40 120.97 2dj0 s VAL 113 Ca 0.18 1.18 -0.26 0.00 0.00 0.00 0.00 61.98 63.08 2dj0 s VAL 113 Cb -0.15 -3.76 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 2dj0 s VAL 113 CO 0.09 -0.03 2.43 -1.20 0.00 0.00 0.00 175.10 176.39 2dj0 n SER 114 N 5.79 1.85 -4.42 3.32 7.64 -1.26 -4.45 113.62 122.09 2dj0 n SER 114 Ca 0.14 -0.76 -0.32 0.00 1.01 0.00 0.00 58.87 58.93 2dj0 n SER 114 Cb 0.44 -1.52 -0.14 0.00 -1.01 0.00 0.00 64.21 61.98 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 12.33 2.59 0.44 1.43 -0.00 -1.26 -5.11 118.94 129.36 2dj0 s TRP 115 Ca 1.01 -0.26 -0.23 0.00 -0.00 0.00 0.00 56.10 56.62 2dj0 s TRP 115 Cb -0.27 -1.60 -0.08 0.00 -0.00 0.00 0.00 33.47 31.52 2dj0 s TRP 115 CO 0.24 0.11 1.11 0.99 -0.00 0.00 0.00 176.95 179.40 2dj0 s THR 116 N -0.67 3.38 -0.63 5.86 2.01 -1.26 -4.95 115.64 119.38 2dj0 s THR 116 Ca 0.10 1.03 0.03 0.00 0.31 0.00 0.00 61.69 63.16 2dj0 s THR 116 Cb -0.11 -3.51 0.16 0.00 0.01 0.00 0.00 72.50 69.05 2dj0 s THR 116 CO 0.00 -0.03 0.41 -0.36 -0.69 0.00 0.00 174.62 173.96 2dj0 s PHE 117 N -1.63 3.41 0.28 4.92 0.40 -1.26 -4.88 117.98 119.23 2dj0 s PHE 117 Ca 0.62 -3.18 0.01 0.00 -0.60 0.00 0.00 56.93 53.78 2dj0 s PHE 117 Cb -0.25 -2.85 0.01 0.00 0.51 0.00 0.00 43.02 40.44 2dj0 s PHE 117 CO 0.31 -0.68 0.11 -1.13 0.70 0.00 0.00 175.22 174.54 2dj0 n SER 118 N 2.65 2.29 0.11 1.36 3.41 -1.26 -4.96 113.62 117.21 2dj0 n SER 118 Ca 0.12 -2.07 0.01 0.00 -0.26 0.00 0.00 58.87 56.68 2dj0 n SER 118 Cb 0.34 0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.36 2dj0 n SER 118 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2dj0 h GLU 119 N 0.00 0.00 0.00 4.33 4.81 -1.97 -3.30 114.58 118.45 2dj0 h GLU 119 Ca -0.20 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.92 2dj0 h GLU 119 Cb 0.66 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 2dj0 h GLU 119 CO 0.32 0.48 -1.00 -1.91 -0.73 0.00 0.00 179.01 176.18 2dj0 n GLU 120 N -3.16 0.51 -0.44 1.92 2.13 -1.26 -3.66 120.64 116.69 2dj0 n GLU 120 Ca -0.01 0.45 0.41 0.00 0.66 0.00 0.00 57.16 58.67 2dj0 n GLU 120 Cb 0.77 -1.64 0.72 0.00 0.27 0.00 0.00 31.44 31.56 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 -1.00 0.00 0.10 4.31 4.21 -1.93 0.13 115.58 121.40 2dj0 h ASN 121 Ca -0.16 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.34 2dj0 h ASN 121 Cb 0.91 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.11 2dj0 h ASN 121 CO -0.10 0.00 -0.05 0.58 -1.29 0.00 0.00 177.43 176.57 2dj0 h VAL 122 N 0.00 0.00 -0.65 2.81 2.07 -1.73 -2.15 116.25 116.59 2dj0 h VAL 122 Ca 0.69 -0.89 0.19 0.00 0.82 0.00 0.00 66.70 67.51 2dj0 h VAL 122 Cb 2.98 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 2dj0 h VAL 122 CO -0.01 0.00 0.47 0.40 0.02 0.00 0.00 177.57 178.45 2dj0 h ILE 123 N -1.03 0.67 0.01 4.57 2.04 -1.09 0.41 117.51 123.09 2dj0 h ILE 123 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2dj0 h ILE 123 Cb 0.11 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2dj0 h ILE 123 CO 0.02 0.00 -0.00 -0.09 0.00 0.00 0.00 178.15 178.08 2dj0 h ARG 124 N 0.00 -0.01 0.51 2.37 9.65 -0.93 -1.18 114.38 124.79 2dj0 h ARG 124 Ca 0.31 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.16 2dj0 h ARG 124 Cb 1.25 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 2dj0 h ARG 124 CO -0.00 0.77 -0.24 0.93 2.80 0.00 0.00 179.97 184.23 2dj0 h GLU 125 N -0.84 -0.65 0.00 0.20 4.39 -0.62 -2.82 114.58 114.23 2dj0 h GLU 125 Ca -0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2dj0 h GLU 125 Cb 0.79 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2dj0 h GLU 125 CO 0.00 -0.35 0.00 1.19 -1.16 0.00 0.00 179.01 178.69 2dj0 n PHE 126 N -5.28 0.00 -4.18 4.33 3.01 0.13 -4.87 117.46 110.60 2dj0 n PHE 126 Ca -0.11 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.04 2dj0 n PHE 126 Cb 0.32 -0.03 -0.08 0.00 -0.01 0.00 0.00 39.48 39.68 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 -1.03 0.14 0.32 4.37 4.13 -0.51 -4.83 115.26 117.85 2dj0 n ASN 127 Ca 0.16 -1.20 -0.17 0.00 1.68 0.00 0.00 54.58 55.04 2dj0 n ASN 127 Cb 0.08 -1.48 -0.09 0.00 -1.54 0.00 0.00 39.78 36.75 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 -1.72 -0.66 -1.00 3.41 3.38 -1.65 -2.72 115.31 114.35 2dj0 h LEU 128 Ca -0.63 0.01 0.36 0.00 0.09 0.00 0.00 57.88 57.71 2dj0 h LEU 128 Cb 1.31 0.17 -0.18 0.00 0.09 0.00 0.00 40.66 42.05 2dj0 h LEU 128 CO 0.63 -0.45 0.32 -0.46 0.09 0.00 0.00 178.44 178.57 2dj0 n ASN 129 N -5.42 0.15 0.17 -0.43 0.23 -1.26 0.11 115.26 108.82 2dj0 n ASN 129 Ca -0.13 1.67 -0.14 0.00 -0.53 0.00 0.00 54.58 55.46 2dj0 n ASN 129 Cb 0.32 -0.73 -0.08 0.00 -2.08 0.00 0.00 39.78 37.21 2dj0 n ASN 129 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2dj0 h GLU 130 N 0.00 -0.39 -0.02 -3.83 5.08 -1.83 -3.29 114.58 110.30 2dj0 h GLU 130 Ca 0.75 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 59.14 2dj0 h GLU 130 Cb 1.82 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 31.13 2dj0 h GLU 130 CO -0.84 -0.15 -0.28 -0.07 -1.00 0.00 0.00 179.01 176.67 2dj0 h LEU 131 N -0.59 -0.88 -9.57 1.33 3.38 -0.06 -3.40 115.31 105.53 2dj0 h LEU 131 Ca -0.04 0.10 -0.52 0.00 0.09 0.00 0.00 57.88 57.50 2dj0 h LEU 131 Cb 0.43 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 2dj0 h LEU 131 CO 0.07 -0.27 0.47 -0.55 0.09 0.00 0.00 178.44 178.25 2dj0 s SER 132 N -3.69 7.26 0.43 -0.43 0.15 -0.67 -5.01 113.70 111.73 2dj0 s SER 132 Ca -0.08 1.98 -0.24 0.00 0.70 0.00 0.00 55.95 58.31 2dj0 s SER 132 Cb 0.03 -2.59 -0.08 0.00 -1.71 0.00 0.00 66.02 61.67 2dj0 s SER 132 CO 0.32 -0.27 1.13 -0.83 1.20 0.00 0.00 173.24 174.78 2dj0 s GLY 133 N 0.37 2.78 0.00 9.45 0.00 -1.26 -4.72 107.32 113.93 2dj0 s GLY 133 Ca 0.52 0.86 0.16 0.00 0.00 0.00 0.00 44.72 46.26 2dj0 s GLY 133 CO 0.32 1.32 1.35 -1.55 0.00 0.00 0.00 173.10 174.54 2dj0 n PRO 134 N -0.26 0.49 -1.39 2.90 -0.04 -1.26 -4.61 135.00 130.82 2dj0 n PRO 134 Ca 0.06 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 63.03 2dj0 n PRO 134 Cb 0.48 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.32 2dj0 n PRO 134 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dj0 n SER 135 N -1.00 0.79 -2.76 3.54 7.64 -1.26 -0.32 113.62 120.25 2dj0 n SER 135 Ca 0.12 0.37 -0.10 0.00 1.01 0.00 0.00 58.87 60.27 2dj0 n SER 135 Cb 0.05 -0.99 -0.02 0.00 -1.01 0.00 0.00 64.21 62.25 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 9.50 -1.07 0.00 6.43 7.64 -1.26 -5.16 113.62 129.70 2dj0 n SER 136 Ca 0.57 0.04 0.00 0.00 1.01 0.00 0.00 58.87 60.50 2dj0 n SER 136 Cb 0.05 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 2dj0 n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64