#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 6.30 -0.22 1.61 0.15 -1.26 -5.07 113.70 115.21 2dj0 s SER 2 Ca 0.00 0.34 0.01 0.00 0.70 0.00 0.00 55.95 57.00 2dj0 s SER 2 Cb 0.00 -2.16 0.03 0.00 -1.71 0.00 0.00 66.02 62.18 2dj0 s SER 2 CO 0.00 0.05 -0.13 -0.55 1.20 0.00 0.00 173.24 173.81 2dj0 s SER 3 N 0.80 3.86 0.00 5.45 0.15 -1.26 -4.76 113.70 117.94 2dj0 s SER 3 Ca 0.13 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 55.85 2dj0 s SER 3 Cb -0.13 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 2dj0 s SER 3 CO 0.04 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2dj0 n GLY 4 N 4.58 2.56 3.95 9.45 0.00 -1.26 -5.13 105.19 119.34 2dj0 n GLY 4 Ca -0.18 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 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 3.70 0.03 1.61 0.01 -1.26 -5.12 113.70 112.67 2dj0 s SER 5 Ca 0.00 0.04 -0.08 0.00 1.31 0.00 0.00 55.95 57.21 2dj0 s SER 5 Cb 0.00 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2dj0 s SER 5 CO 0.00 -2.32 0.16 -0.94 0.41 0.00 0.00 173.24 170.55 2dj0 s SER 6 N -4.81 0.05 0.00 2.44 1.04 -1.26 -5.04 113.70 106.12 2dj0 s SER 6 Ca 0.70 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2dj0 s SER 6 Cb -0.05 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2dj0 s SER 6 CO 0.49 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.83 2dj0 n GLY 7 N 0.95 0.75 3.01 7.32 0.00 -1.26 -5.12 105.19 110.83 2dj0 n GLY 7 Ca -0.20 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 2dj0 n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dj0 s TYR 8 N -0.82 1.90 0.05 1.61 1.13 -1.26 -5.09 117.35 114.88 2dj0 s TYR 8 Ca 0.00 -0.96 0.04 0.00 -1.41 0.00 0.00 57.07 54.73 2dj0 s TYR 8 Cb 0.00 -1.42 -0.04 0.00 -1.10 0.00 0.00 41.96 39.40 2dj0 s TYR 8 CO 0.00 -0.54 -0.02 0.42 -2.51 0.00 0.00 175.55 172.90 2dj0 s ILE 9 N 1.30 3.93 -0.85 -3.49 1.01 -1.26 -4.86 121.20 116.98 2dj0 s ILE 9 Ca -0.01 -0.87 -0.25 0.00 0.00 0.00 0.00 60.65 59.53 2dj0 s ILE 9 Cb -0.14 -2.81 0.05 0.00 0.01 0.00 0.00 42.46 39.57 2dj0 s ILE 9 CO -0.06 0.24 1.31 -0.75 0.00 0.00 0.00 174.94 175.68 2dj0 s LYS 10 N -1.93 3.35 0.98 2.79 2.47 -0.73 -4.89 119.74 121.78 2dj0 s LYS 10 Ca 0.22 -0.68 -0.12 0.00 -1.56 0.00 0.00 55.97 53.83 2dj0 s LYS 10 Cb -0.11 -4.65 0.18 0.00 -1.46 0.00 0.00 37.83 31.78 2dj0 s LYS 10 CO 0.14 -2.13 1.08 0.71 0.16 0.00 0.00 175.35 175.31 2dj0 s TYR 11 N 5.18 2.03 0.04 4.03 1.51 -1.26 -3.02 117.35 125.86 2dj0 s TYR 11 Ca 0.38 1.19 -0.15 0.00 -1.01 0.00 0.00 57.07 57.49 2dj0 s TYR 11 Cb -0.06 -3.19 0.02 0.00 -0.11 0.00 0.00 41.96 38.62 2dj0 s TYR 11 CO 0.04 -2.85 0.32 -0.06 -1.11 0.00 0.00 175.55 171.90 2dj0 s PHE 12 N -2.84 -0.14 0.29 2.71 0.08 -1.24 -4.84 117.98 112.01 2dj0 s PHE 12 Ca 0.65 0.02 0.07 0.00 0.12 0.00 0.00 56.93 57.79 2dj0 s PHE 12 Cb -0.20 0.12 -0.03 0.00 -0.57 0.00 0.00 43.02 42.35 2dj0 s PHE 12 CO 0.59 -0.51 0.31 -0.80 -0.10 0.00 0.00 175.22 174.70 2dj0 s ASN 13 N -2.04 5.68 0.49 1.36 0.01 -1.26 -4.78 114.94 114.40 2dj0 s ASN 13 Ca -0.05 -0.26 0.25 0.00 -0.71 0.00 0.00 52.86 52.08 2dj0 s ASN 13 Cb -0.01 -1.31 1.35 0.00 0.41 0.00 0.00 41.25 41.70 2dj0 s ASN 13 CO -0.03 -0.23 1.73 -2.24 -1.51 0.00 0.00 177.10 174.82 2dj0 h ASP 14 N 1.23 0.00 0.00 -1.22 3.04 -1.99 0.33 116.42 117.81 2dj0 h ASP 14 Ca -0.47 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.32 2dj0 h ASP 14 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 2dj0 h ASP 14 CO 0.58 0.00 -0.40 1.17 -2.04 0.00 0.00 179.24 178.56 2dj0 n LYS 15 N -2.51 0.21 -0.24 4.15 3.00 -1.26 -4.59 118.16 116.91 2dj0 n LYS 15 Ca -0.02 0.08 0.18 0.00 -0.00 0.00 0.00 58.31 58.56 2dj0 n LYS 15 Cb 0.25 -0.83 0.49 0.00 0.00 0.00 0.00 35.03 34.94 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 -0.40 0.71 -1.11 3.15 1.35 -1.94 -1.31 112.91 113.36 2dj0 h THR 16 Ca 0.00 -0.15 0.42 0.00 -0.55 0.00 0.00 66.41 66.13 2dj0 h THR 16 Cb 0.40 0.23 -0.16 0.00 -1.73 0.00 0.00 68.15 66.88 2dj0 h THR 16 CO 0.00 0.08 0.65 -0.29 -0.25 0.00 0.00 175.52 175.71 2dj0 h ILE 17 N 0.44 0.05 0.00 6.82 2.10 -0.59 0.22 117.51 126.55 2dj0 h ILE 17 Ca 0.46 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 66.38 2dj0 h ILE 17 Cb 1.09 -0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.81 2dj0 h ILE 17 CO -0.18 0.01 -0.06 0.44 -1.08 0.00 0.00 178.15 177.29 2dj0 h ASP 18 N 0.05 0.00 -1.71 2.19 5.19 -1.47 -3.14 116.42 117.53 2dj0 h ASP 18 Ca 0.84 0.00 0.49 0.00 -0.62 0.00 0.00 57.03 57.74 2dj0 h ASP 18 Cb 2.33 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 41.77 2dj0 h ASP 18 CO -0.65 0.19 1.30 -1.84 -3.12 0.00 0.00 179.24 175.12 2dj0 n GLU 19 N -2.94 0.00 -0.03 3.56 -0.00 -0.90 0.16 120.64 120.49 2dj0 n GLU 19 Ca -0.01 1.00 -0.15 0.00 -0.00 0.00 0.00 57.16 58.00 2dj0 n GLU 19 Cb 0.03 -2.34 -0.12 0.00 -0.00 0.00 0.00 31.44 29.01 2dj0 n GLU 19 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2dj0 h GLU 20 N 0.00 0.14 0.00 3.44 4.22 -0.72 -2.84 114.58 118.82 2dj0 h GLU 20 Ca 0.81 -0.16 -0.07 0.00 0.08 0.00 0.00 59.36 60.02 2dj0 h GLU 20 Cb 3.41 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 32.70 2dj0 h GLU 20 CO -0.01 0.93 -0.34 -0.07 -2.18 0.00 0.00 179.01 177.35 2dj0 h LEU 21 N -0.58 0.00 -0.54 1.64 3.38 0.16 -0.05 115.31 119.32 2dj0 h LEU 21 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2dj0 h LEU 21 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2dj0 h LEU 21 CO 0.04 0.34 -0.63 -0.08 0.09 0.00 0.00 178.44 178.20 2dj0 h GLU 22 N 0.00 0.37 0.00 1.13 4.57 -0.69 -0.05 114.58 119.91 2dj0 h GLU 22 Ca -0.00 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2dj0 h GLU 22 Cb 0.70 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2dj0 h GLU 22 CO 0.04 0.88 -0.80 0.07 -1.18 0.00 0.00 179.01 178.02 2dj0 h ARG 23 N 0.27 0.00 -0.25 1.92 0.11 -1.24 -3.32 114.38 111.87 2dj0 h ARG 23 Ca -0.01 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.01 2dj0 h ARG 23 Cb 1.17 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.21 2dj0 h ARG 23 CO 0.11 0.00 -0.03 -0.25 0.10 0.00 0.00 179.97 179.89 2dj0 n ASP 24 N -2.61 3.16 0.00 0.08 9.92 -0.05 -4.83 116.55 122.22 2dj0 n ASP 24 Ca 0.01 -3.30 0.00 0.00 -0.53 0.00 0.00 54.79 50.97 2dj0 n ASP 24 Cb 0.52 -0.56 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 2dj0 n ASP 24 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2dj0 n LYS 25 N -0.86 0.00 -0.30 -1.24 5.02 -0.04 -1.27 118.16 119.48 2dj0 n LYS 25 Ca 0.25 0.66 0.13 0.00 -2.02 0.00 0.00 58.31 57.33 2dj0 n LYS 25 Cb 0.91 -1.27 0.25 0.00 -0.02 0.00 0.00 35.03 34.90 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 -1.92 -0.07 -2.25 1.97 1.85 -1.26 -2.69 116.66 112.29 2dj0 n ARG 26 Ca 0.00 1.28 -0.38 0.00 -1.00 0.00 0.00 57.85 57.75 2dj0 n ARG 26 Cb 0.00 -2.03 -0.01 0.00 -1.05 0.00 0.00 32.46 29.36 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 -5.81 3.06 0.13 8.89 1.01 -0.40 -4.69 120.40 122.60 2dj0 s VAL 27 Ca -0.11 0.86 -0.27 0.00 0.00 0.00 0.00 61.98 62.46 2dj0 s VAL 27 Cb 0.25 -3.47 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 2dj0 s VAL 27 CO 0.67 0.05 0.85 -0.89 0.00 0.00 0.00 175.10 175.78 2dj0 s THR 28 N -1.44 4.45 0.01 3.92 2.01 -1.26 -4.53 115.64 118.80 2dj0 s THR 28 Ca 0.59 1.84 0.02 0.00 0.31 0.00 0.00 61.69 64.46 2dj0 s THR 28 Cb -0.31 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 67.98 2dj0 s THR 28 CO 0.39 0.42 -0.06 0.26 -0.69 0.00 0.00 174.62 174.93 2dj0 s TRP 29 N -0.54 0.55 -0.26 4.92 0.52 -0.93 -3.40 118.94 119.80 2dj0 s TRP 29 Ca 0.40 -0.18 -0.00 0.00 0.02 0.00 0.00 56.10 56.34 2dj0 s TRP 29 Cb -0.23 -0.35 0.08 0.00 -1.15 0.00 0.00 33.47 31.82 2dj0 s TRP 29 CO 0.27 -0.02 0.03 -1.50 0.02 0.00 0.00 176.95 175.75 2dj0 s ILE 30 N -0.40 1.12 -0.17 2.03 2.07 -1.14 -1.02 121.20 123.69 2dj0 s ILE 30 Ca -0.00 -1.21 -0.11 0.00 -1.41 0.00 0.00 60.65 57.91 2dj0 s ILE 30 Cb -0.04 -1.64 -0.05 0.00 0.13 0.00 0.00 42.46 40.86 2dj0 s ILE 30 CO -0.00 -0.37 0.19 -0.69 -1.91 0.00 0.00 174.94 172.16 2dj0 s VAL 31 N 1.54 5.38 -0.33 4.00 1.01 -1.11 -1.51 120.40 129.38 2dj0 s VAL 31 Ca 0.02 0.33 -0.10 0.00 0.00 0.00 0.00 61.98 62.22 2dj0 s VAL 31 Cb -0.18 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 2dj0 s VAL 31 CO -0.13 0.45 0.18 -0.70 0.00 0.00 0.00 175.10 174.89 2dj0 s GLU 32 N 0.20 3.24 -0.20 2.72 2.12 -1.06 -2.92 118.70 122.79 2dj0 s GLU 32 Ca 0.12 -0.79 -0.21 0.00 0.36 0.00 0.00 54.97 54.44 2dj0 s GLU 32 Cb -0.12 -3.64 -0.02 0.00 0.26 0.00 0.00 34.13 30.61 2dj0 s GLU 32 CO 0.01 -0.49 0.67 -0.06 -0.54 0.00 0.00 175.26 174.85 2dj0 s PHE 33 N 1.62 3.37 0.21 5.30 0.40 0.30 -2.46 117.98 126.71 2dj0 s PHE 33 Ca 0.04 0.97 0.05 0.00 -0.60 0.00 0.00 56.93 57.39 2dj0 s PHE 33 Cb -0.18 -2.84 -0.02 0.00 0.51 0.00 0.00 43.02 40.49 2dj0 s PHE 33 CO 0.07 -0.21 0.18 1.97 0.70 0.00 0.00 175.22 177.92 2dj0 n PHE 34 N 5.20 -0.49 -4.23 0.36 -1.74 -1.20 -0.24 117.46 115.12 2dj0 n PHE 34 Ca -0.00 -1.77 -0.17 0.00 -0.56 0.00 0.00 57.45 54.95 2dj0 n PHE 34 Cb 0.49 0.18 -0.08 0.00 1.52 0.00 0.00 39.48 41.59 2dj0 n PHE 34 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2dj0 s ALA 35 N -2.85 1.50 -0.68 1.98 0.00 -1.26 -1.07 121.76 119.38 2dj0 s ALA 35 Ca 0.25 -1.88 0.24 0.00 0.00 0.00 0.00 51.96 50.57 2dj0 s ALA 35 Cb 0.01 1.41 0.37 0.00 0.00 0.00 0.00 23.12 24.91 2dj0 s ALA 35 CO 0.18 -0.67 1.33 0.27 0.00 0.00 0.00 175.76 176.87 2dj0 n ASN 36 N -1.20 0.67 -0.33 0.00 0.23 -1.26 -3.78 115.26 109.58 2dj0 n ASN 36 Ca 0.05 0.09 0.04 0.00 -0.53 0.00 0.00 54.58 54.23 2dj0 n ASN 36 Cb 0.63 0.17 0.03 0.00 -2.08 0.00 0.00 39.78 38.54 2dj0 n ASN 36 CO 0.00 0.00 0.00 -2.67 -0.93 0.00 0.00 177.26 173.66 2dj0 n TRP 37 N -2.04 0.00 -2.34 -2.53 4.27 -1.26 -4.98 117.44 108.56 2dj0 n TRP 37 Ca 0.03 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.22 2dj0 n TRP 37 Cb 0.43 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.35 2dj0 n TRP 37 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 2dj0 s SER 38 N -0.72 6.71 0.10 -0.67 1.04 -1.25 -4.90 113.70 114.02 2dj0 s SER 38 Ca 0.10 1.51 -0.05 0.00 0.48 0.00 0.00 55.95 57.98 2dj0 s SER 38 Cb 0.07 -2.54 -0.20 0.00 0.10 0.00 0.00 66.02 63.46 2dj0 s SER 38 CO 0.11 -1.00 1.21 0.78 0.98 0.00 0.00 173.24 175.32 2dj0 h ASN 39 N 9.21 0.51 0.14 7.02 4.21 -1.92 -3.13 115.58 131.62 2dj0 h ASN 39 Ca -0.28 -0.48 0.00 0.00 1.21 0.00 0.00 56.30 56.75 2dj0 h ASN 39 Cb 1.11 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 38.15 2dj0 h ASN 39 CO 1.00 1.32 0.00 0.47 -1.29 0.00 0.00 177.43 178.93 2dj0 n ASP 40 N -3.65 0.04 0.00 5.81 9.92 -1.26 -1.63 116.55 125.77 2dj0 n ASP 40 Ca -0.08 0.51 -0.18 0.00 -0.53 0.00 0.00 54.79 54.51 2dj0 n ASP 40 Cb 0.94 -0.52 -0.14 0.00 -0.64 0.00 0.00 41.12 40.76 2dj0 n ASP 40 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dj0 h GLN 42 N 0.05 0.00 0.00 0.00 4.20 -1.38 0.92 115.11 118.91 2dj0 h GLN 42 Ca -0.38 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.25 2dj0 h GLN 42 Cb 2.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.80 2dj0 h GLN 42 CO 0.09 0.02 -1.10 0.77 -0.67 0.00 0.00 178.83 177.94 2dj0 h SER 43 N 0.00 0.00 -0.29 1.46 0.02 -1.68 -3.33 113.55 109.73 2dj0 h SER 43 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2dj0 h SER 43 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2dj0 h SER 43 CO 0.00 0.27 0.00 0.33 -1.14 0.00 0.00 176.83 176.29 2dj0 n PHE 44 N -2.82 0.38 0.39 3.45 -0.00 -0.30 -4.57 117.46 114.00 2dj0 n PHE 44 Ca -0.04 -0.33 -0.17 0.00 -0.00 0.00 0.00 57.45 56.91 2dj0 n PHE 44 Cb 0.68 -0.01 -0.09 0.00 -0.00 0.00 0.00 39.48 40.06 2dj0 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2dj0 h ALA 45 N 2.63 -1.24 -0.08 3.13 0.00 0.70 -1.65 119.26 122.73 2dj0 h ALA 45 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 2dj0 h ALA 45 Cb 0.72 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2dj0 h ALA 45 CO 0.00 -1.20 -0.46 -1.00 0.00 0.00 0.00 179.25 176.59 2dj0 h PRO 46 N -1.08 0.20 0.00 0.00 0.13 -1.83 -2.86 132.00 126.56 2dj0 h PRO 46 Ca -0.10 -0.11 -0.03 0.00 -0.87 0.00 0.00 66.00 64.90 2dj0 h PRO 46 Cb 0.86 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 2dj0 h PRO 46 CO 0.10 0.63 -0.14 0.82 -0.23 0.00 0.00 178.00 179.18 2dj0 h ILE 47 N 0.16 0.73 0.14 -3.56 2.04 -1.79 -1.67 117.51 113.57 2dj0 h ILE 47 Ca 0.01 -0.55 -0.22 0.00 1.00 0.00 0.00 64.86 65.11 2dj0 h ILE 47 Cb 0.89 1.33 0.02 0.00 -0.74 0.00 0.00 36.82 38.31 2dj0 h ILE 47 CO 0.07 0.13 -0.99 0.22 0.00 0.00 0.00 178.15 177.58 2dj0 h TYR 48 N 0.00 0.56 -0.67 1.37 3.20 -1.08 -3.10 116.97 117.25 2dj0 h TYR 48 Ca -0.00 -0.41 -0.02 0.00 3.14 0.00 0.00 58.73 61.45 2dj0 h TYR 48 Cb 0.32 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 2dj0 h TYR 48 CO 0.00 1.38 0.36 0.00 -1.64 0.00 0.00 178.16 178.26 2dj0 h ALA 49 N 0.06 0.86 -0.25 1.82 0.00 -1.36 0.28 119.26 120.67 2dj0 h ALA 49 Ca -0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2dj0 h ALA 49 Cb 1.71 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2dj0 h ALA 49 CO 0.14 0.39 0.14 -0.44 0.00 0.00 0.00 179.25 179.48 2dj0 h ASP 50 N 0.92 0.31 -0.02 0.00 5.19 -1.44 -0.39 116.42 121.00 2dj0 h ASP 50 Ca 0.24 -0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.56 2dj0 h ASP 50 Cb 0.06 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.49 2dj0 h ASP 50 CO -0.04 0.31 0.01 -0.07 -3.12 0.00 0.00 179.24 176.33 2dj0 h LEU 51 N 0.29 0.04 0.37 1.55 3.38 -1.42 -2.69 115.31 116.83 2dj0 h LEU 51 Ca 0.09 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2dj0 h LEU 51 Cb 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2dj0 h LEU 51 CO -0.01 0.24 -0.40 0.77 0.09 0.00 0.00 178.44 179.13 2dj0 h SER 52 N -0.17 -1.08 -1.11 -0.43 4.64 -0.86 -0.96 113.55 113.57 2dj0 h SER 52 Ca 0.01 0.09 0.30 0.00 -0.47 0.00 0.00 61.79 61.73 2dj0 h SER 52 Cb 0.22 0.37 -0.09 0.00 -0.31 0.00 0.00 62.40 62.59 2dj0 h SER 52 CO -0.00 -0.54 0.73 -0.07 -0.87 0.00 0.00 176.83 176.09 2dj0 h LEU 53 N -0.79 0.32 0.07 5.97 3.38 -1.09 1.44 115.31 124.61 2dj0 h LEU 53 Ca -0.03 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2dj0 h LEU 53 Cb 0.72 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2dj0 h LEU 53 CO -0.08 0.03 -0.03 0.11 0.09 0.00 0.00 178.44 178.56 2dj0 h LYS 54 N 0.26 -0.09 -0.36 1.13 1.57 -0.95 -3.11 116.57 115.02 2dj0 h LYS 54 Ca 0.62 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 2dj0 h LYS 54 Cb 1.81 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.14 2dj0 h LYS 54 CO -0.25 0.38 0.00 0.66 -0.57 0.00 0.00 179.45 179.68 2dj0 n TYR 55 N -4.90 0.45 -2.07 -1.35 4.02 -0.05 -4.81 117.16 108.46 2dj0 n TYR 55 Ca -0.09 -0.21 -0.31 0.00 -0.01 0.00 0.00 57.90 57.29 2dj0 n TYR 55 Cb 0.26 -0.03 -0.04 0.00 -0.02 0.00 0.00 39.34 39.50 2dj0 n TYR 55 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 2dj0 s ASN 56 N -0.92 5.24 0.18 7.72 3.84 0.48 -4.47 114.94 127.01 2dj0 s ASN 56 Ca 0.20 -0.39 -0.16 0.00 0.21 0.00 0.00 52.86 52.72 2dj0 s ASN 56 Cb 0.11 -2.55 0.02 0.00 -0.55 0.00 0.00 41.25 38.28 2dj0 s ASN 56 CO 0.13 -2.58 0.47 0.00 -2.79 0.00 0.00 177.10 172.33 2dj0 h THR 58 N 2.27 0.10 0.00 0.00 1.35 -2.03 -3.18 112.91 111.41 2dj0 h THR 58 Ca -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2dj0 h THR 58 Cb 1.26 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 2dj0 h THR 58 CO 0.40 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 2dj0 n GLY 59 N -1.42 -2.78 3.69 5.82 0.00 -1.26 -4.56 105.19 104.67 2dj0 n GLY 59 Ca 0.04 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.95 4.25 0.18 0.99 2.96 -1.20 -4.33 118.68 120.57 2dj0 s LEU 60 Ca 0.00 1.38 0.11 0.00 -0.22 0.00 0.00 54.13 55.41 2dj0 s LEU 60 Cb 0.00 -3.39 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 2dj0 s LEU 60 CO 0.00 -0.37 -0.24 0.20 -1.32 0.00 0.00 176.35 174.62 2dj0 s ASN 61 N 1.07 3.39 -0.04 3.68 0.01 -1.22 -2.43 114.94 119.40 2dj0 s ASN 61 Ca 0.44 -0.85 0.07 0.00 -0.71 0.00 0.00 52.86 51.81 2dj0 s ASN 61 Cb -0.18 -0.25 -0.01 0.00 0.41 0.00 0.00 41.25 41.22 2dj0 s ASN 61 CO 0.17 0.13 -0.25 -0.36 -1.51 0.00 0.00 177.10 175.28 2dj0 s PHE 62 N -1.59 2.41 0.41 2.20 0.40 -1.26 -2.89 117.98 117.66 2dj0 s PHE 62 Ca 0.20 -0.60 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 2dj0 s PHE 62 Cb -0.08 -1.56 -0.03 0.00 0.51 0.00 0.00 43.02 41.86 2dj0 s PHE 62 CO 0.09 -0.14 0.10 0.20 0.70 0.00 0.00 175.22 176.18 2dj0 s GLY 63 N -0.35 2.59 -0.28 4.36 0.00 -0.57 -1.77 107.32 111.30 2dj0 s GLY 63 Ca 0.02 -1.25 -0.09 0.00 0.00 0.00 0.00 44.72 43.40 2dj0 s GLY 63 CO 0.02 -1.87 0.59 1.25 0.00 0.00 0.00 173.10 173.09 2dj0 s LYS 64 N -3.75 0.52 -0.15 2.90 2.20 -1.17 -2.58 119.74 117.71 2dj0 s LYS 64 Ca 0.23 1.36 -0.00 0.00 -0.36 0.00 0.00 55.97 57.20 2dj0 s LYS 64 Cb 0.03 0.75 0.04 0.00 -1.51 0.00 0.00 37.83 37.14 2dj0 s LYS 64 CO 0.13 -0.21 -0.06 0.54 -0.36 0.00 0.00 175.35 175.39 2dj0 s VAL 65 N 2.83 1.11 -0.33 4.02 0.11 -1.03 -3.68 120.40 123.43 2dj0 s VAL 65 Ca -0.05 -0.53 -0.29 0.00 -2.93 0.00 0.00 61.98 58.18 2dj0 s VAL 65 Cb -0.12 -1.23 0.01 0.00 -1.53 0.00 0.00 36.38 33.51 2dj0 s VAL 65 CO -0.17 0.21 1.29 1.51 -3.33 0.00 0.00 175.10 174.61 2dj0 s ASP 66 N 1.65 6.65 -0.07 3.54 -4.77 -1.26 -3.28 116.67 119.12 2dj0 s ASP 66 Ca 0.02 1.10 0.02 0.00 -3.30 0.00 0.00 52.55 50.39 2dj0 s ASP 66 Cb -0.14 -2.54 -0.25 0.00 -1.09 0.00 0.00 42.92 38.90 2dj0 s ASP 66 CO -0.08 -1.12 0.55 -0.37 0.70 0.00 0.00 175.17 174.85 2dj0 h VAL 67 N 6.03 0.78 -1.43 2.11 -1.51 -1.35 -3.17 116.25 117.71 2dj0 h VAL 67 Ca -0.26 -2.55 0.41 0.00 -1.23 0.00 0.00 66.70 63.08 2dj0 h VAL 67 Cb 1.09 2.50 -0.06 0.00 -2.13 0.00 0.00 31.29 32.69 2dj0 h VAL 67 CO 1.05 0.71 1.05 1.23 -1.23 0.00 0.00 177.57 180.38 2dj0 h GLY 68 N 2.22 0.00 0.00 5.19 0.00 -1.88 0.35 103.07 108.95 2dj0 h GLY 68 Ca -0.34 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.62 2dj0 h GLY 68 CO 0.09 0.00 -2.39 0.54 0.00 0.00 0.00 176.54 174.79 2dj0 n ARG 69 N -4.04 0.70 -3.16 4.80 1.74 -1.26 -4.86 116.66 110.58 2dj0 n ARG 69 Ca 0.31 0.08 -0.43 0.00 -0.77 0.00 0.00 57.85 57.04 2dj0 n ARG 69 Cb 1.50 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 2dj0 n ARG 69 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2dj0 s TYR 70 N -2.49 3.08 0.09 -1.55 1.51 0.11 -4.92 117.35 113.18 2dj0 s TYR 70 Ca -0.24 -0.26 -0.11 0.00 -1.01 0.00 0.00 57.07 55.45 2dj0 s TYR 70 Cb 0.07 -3.32 -0.19 0.00 -0.11 0.00 0.00 41.96 38.42 2dj0 s TYR 70 CO 0.67 -0.89 1.23 1.79 -1.11 0.00 0.00 175.55 177.24 2dj0 h THR 71 N 5.84 1.31 -0.09 -0.71 1.35 -1.89 -3.08 112.91 115.63 2dj0 h THR 71 Ca -0.26 -2.28 0.04 0.00 -0.55 0.00 0.00 66.41 63.36 2dj0 h THR 71 Cb 1.10 2.36 -0.06 0.00 -1.73 0.00 0.00 68.15 69.82 2dj0 h THR 71 CO 0.90 0.70 -0.36 0.44 -0.25 0.00 0.00 175.52 176.95 2dj0 h ASP 72 N 0.36 -1.10 0.71 5.36 3.32 -1.92 -1.68 116.42 121.48 2dj0 h ASP 72 Ca -0.11 0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2dj0 h ASP 72 Cb 1.65 0.45 -0.00 0.00 0.22 0.00 0.00 39.33 41.64 2dj0 h ASP 72 CO 0.19 -0.39 -0.44 0.58 -1.72 0.00 0.00 179.24 177.46 2dj0 h VAL 73 N -0.46 0.00 -0.39 -1.35 2.07 -1.91 -0.94 116.25 113.28 2dj0 h VAL 73 Ca 0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.63 2dj0 h VAL 73 Cb 0.58 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 2dj0 h VAL 73 CO -0.34 0.00 -0.23 -1.54 0.02 0.00 0.00 177.57 175.48 2dj0 n SER 74 N -5.21 -0.41 -0.21 0.57 3.41 -1.14 0.02 113.62 110.66 2dj0 n SER 74 Ca -0.13 1.22 0.01 0.00 -0.26 0.00 0.00 58.87 59.71 2dj0 n SER 74 Cb 0.45 -0.35 0.12 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.66 -0.11 6.66 2.02 -1.31 0.27 112.91 121.09 2dj0 h THR 75 Ca 0.06 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.17 2dj0 h THR 75 Cb 0.16 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2dj0 h THR 75 CO -0.37 0.06 0.10 -0.09 0.37 0.00 0.00 175.52 175.59 2dj0 h ARG 76 N 0.31 0.00 -0.35 6.66 2.43 0.93 -0.11 114.38 124.26 2dj0 h ARG 76 Ca 0.33 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.43 2dj0 h ARG 76 Cb 0.48 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 2dj0 h ARG 76 CO -0.39 0.00 0.02 0.66 -1.51 0.00 0.00 179.97 178.75 2dj0 n TYR 77 N -4.14 1.20 -4.15 2.20 4.02 0.10 -4.96 117.16 111.43 2dj0 n TYR 77 Ca -0.00 -1.07 -0.28 0.00 -0.01 0.00 0.00 57.90 56.53 2dj0 n TYR 77 Cb 0.21 -0.41 -0.09 0.00 -0.02 0.00 0.00 39.34 39.04 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 -0.58 -0.94 -3.97 -0.72 5.02 0.13 -4.89 118.16 112.21 2dj0 n LYS 78 Ca 0.27 0.08 -0.31 0.00 -2.02 0.00 0.00 58.31 56.33 2dj0 n LYS 78 Cb 1.00 -3.28 -0.15 0.00 -0.02 0.00 0.00 35.03 32.58 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 -4.21 2.24 0.95 -0.18 1.01 -0.22 -5.00 120.40 114.98 2dj0 s VAL 79 Ca 0.03 -2.56 -0.15 0.00 0.00 0.00 0.00 61.98 59.30 2dj0 s VAL 79 Cb -0.02 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 2dj0 s VAL 79 CO 0.91 -0.67 -0.11 -0.24 0.00 0.00 0.00 175.10 174.98 2dj0 n SER 80 N 3.95 -3.75 -0.72 3.32 2.88 -1.26 -4.51 113.62 113.53 2dj0 n SER 80 Ca 0.04 0.29 0.05 0.00 -1.33 0.00 0.00 58.87 57.91 2dj0 n SER 80 Cb 0.39 -1.01 0.09 0.00 -0.75 0.00 0.00 64.21 62.93 2dj0 n SER 80 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2dj0 n THR 81 N -3.03 0.95 -4.01 2.46 -2.24 -1.26 -4.85 114.28 102.30 2dj0 n THR 81 Ca 0.03 -1.57 -0.28 0.00 -2.27 0.00 0.00 64.05 59.96 2dj0 n THR 81 Cb 0.54 0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 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 -2.24 5.88 0.00 3.42 0.01 -1.26 -4.96 113.70 114.54 2dj0 s SER 82 Ca 0.26 0.05 0.11 0.00 1.31 0.00 0.00 55.95 57.68 2dj0 s SER 82 Cb 0.26 -1.66 0.68 0.00 0.21 0.00 0.00 66.02 65.52 2dj0 s SER 82 CO -0.06 0.11 1.12 -0.81 0.41 0.00 0.00 173.24 174.00 2dj0 n PRO 83 N -0.09 0.49 -2.00 12.44 -0.04 -1.26 -3.25 135.00 141.28 2dj0 n PRO 83 Ca -0.07 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.06 2dj0 n PRO 83 Cb 0.53 -1.37 0.03 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.87 6.32 -3.49 1.53 4.77 -1.26 -4.97 117.00 119.03 2dj0 n LEU 84 Ca 0.09 -4.85 -0.12 0.00 -0.03 0.00 0.00 56.01 51.10 2dj0 n LEU 84 Cb 0.04 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 40.34 2dj0 n LEU 84 CO 0.06 1.91 0.57 0.28 -1.33 0.00 0.00 177.39 178.88 2dj0 s THR 85 N -5.11 0.00 -0.58 -5.08 -1.32 -1.20 -5.06 115.64 97.30 2dj0 s THR 85 Ca 0.53 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 61.03 2dj0 s THR 85 Cb 0.44 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 70.84 2dj0 s THR 85 CO -0.21 0.00 1.62 0.29 -2.21 0.00 0.00 174.62 174.11 2dj0 n LYS 86 N 0.12 3.10 -0.62 7.08 4.76 -1.26 -4.60 118.16 126.74 2dj0 n LYS 86 Ca -0.14 -3.84 0.02 0.00 -2.87 0.00 0.00 58.31 51.48 2dj0 n LYS 86 Cb 0.61 -2.27 0.22 0.00 -1.84 0.00 0.00 35.03 31.75 2dj0 n LYS 86 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2dj0 n GLN 87 N -0.67 2.29 -3.66 1.97 1.13 -1.26 -4.66 117.38 112.51 2dj0 n GLN 87 Ca 0.51 -3.00 -0.07 0.00 -1.94 0.00 0.00 57.00 52.49 2dj0 n GLN 87 Cb 0.62 -1.82 -0.08 0.00 0.11 0.00 0.00 30.24 29.06 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 -3.05 -0.64 0.00 1.08 1.43 -1.26 -4.17 118.68 112.07 2dj0 s LEU 88 Ca 0.43 1.14 -0.19 0.00 -1.03 0.00 0.00 54.13 54.48 2dj0 s LEU 88 Cb 0.37 1.66 0.28 0.00 0.03 0.00 0.00 46.19 48.53 2dj0 s LEU 88 CO 0.04 -0.22 1.02 -0.81 0.23 0.00 0.00 176.35 176.61 2dj0 n PRO 89 N 5.00 -3.00 -3.73 1.29 -0.04 -1.26 -4.66 135.00 128.59 2dj0 n PRO 89 Ca -0.14 -1.63 -0.12 0.00 -0.04 0.00 0.00 63.50 61.57 2dj0 n PRO 89 Cb 0.52 -1.53 -0.12 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.85 -0.03 -0.14 0.52 2.01 0.67 -4.71 115.64 111.11 2dj0 s THR 90 Ca 0.66 0.11 -0.04 0.00 0.31 0.00 0.00 61.69 62.73 2dj0 s THR 90 Cb -0.06 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 2dj0 s THR 90 CO 0.51 0.05 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.72 2dj0 s LEU 91 N 1.14 3.50 -0.02 4.42 1.43 -0.71 -0.54 118.68 127.90 2dj0 s LEU 91 Ca -0.08 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 2dj0 s LEU 91 Cb -0.09 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.30 2dj0 s LEU 91 CO -0.08 0.24 -0.05 -0.63 0.23 0.00 0.00 176.35 176.05 2dj0 s ILE 92 N -0.05 0.49 -0.31 -0.59 1.01 -1.15 -1.63 121.20 118.98 2dj0 s ILE 92 Ca 0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 2dj0 s ILE 92 Cb -0.13 -0.46 0.04 0.00 0.01 0.00 0.00 42.46 41.92 2dj0 s ILE 92 CO 0.02 0.17 0.03 -0.22 0.00 0.00 0.00 174.94 174.95 2dj0 s LEU 93 N 0.29 4.01 -0.19 2.97 2.96 -0.77 -2.75 118.68 125.20 2dj0 s LEU 93 Ca -0.03 -1.19 -0.15 0.00 -0.22 0.00 0.00 54.13 52.53 2dj0 s LEU 93 Cb -0.07 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2dj0 s LEU 93 CO -0.00 -0.28 0.38 -0.36 -1.32 0.00 0.00 176.35 174.77 2dj0 s PHE 94 N 1.31 3.39 -0.52 5.38 0.08 -0.18 -2.18 117.98 125.26 2dj0 s PHE 94 Ca -0.04 0.61 0.07 0.00 0.12 0.00 0.00 56.93 57.69 2dj0 s PHE 94 Cb -0.19 -2.49 0.25 0.00 -0.57 0.00 0.00 43.02 40.01 2dj0 s PHE 94 CO 0.00 0.03 0.63 1.04 -0.10 0.00 0.00 175.22 176.83 2dj0 n GLN 95 N 4.31 1.62 0.00 0.44 6.02 -1.08 -2.19 117.38 126.50 2dj0 n GLN 95 Ca -0.09 -3.96 0.00 0.00 -0.01 0.00 0.00 57.00 52.94 2dj0 n GLN 95 Cb 0.51 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 30.02 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 1.17 1.09 2.97 1.08 0.00 -1.10 -4.53 105.19 105.87 2dj0 n GLY 96 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.04 0.34 3.45 -0.02 0.00 -1.26 -4.93 105.19 102.73 2dj0 n GLY 97 Ca 0.00 0.00 -0.29 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 -0.82 1.62 -1.09 1.61 -0.14 -1.26 -5.06 119.74 114.60 2dj0 s LYS 98 Ca 0.00 -1.26 -0.21 0.00 -1.36 0.00 0.00 55.97 53.13 2dj0 s LYS 98 Cb 0.00 -2.02 0.06 0.00 -1.68 0.00 0.00 37.83 34.19 2dj0 s LYS 98 CO 0.00 0.46 1.51 -2.00 -0.76 0.00 0.00 175.35 174.56 2dj0 s GLU 99 N -2.13 3.70 0.11 1.68 2.12 -1.26 -2.62 118.70 120.30 2dj0 s GLU 99 Ca 0.16 -1.39 -0.28 0.00 0.36 0.00 0.00 54.97 53.83 2dj0 s GLU 99 Cb -0.10 -5.38 -0.08 0.00 0.26 0.00 0.00 34.13 28.83 2dj0 s GLU 99 CO 0.08 -2.20 1.62 0.00 -0.54 0.00 0.00 175.26 174.23 2dj0 h ALA 100 N 9.17 -0.50 -2.61 6.30 0.00 -1.80 -3.46 119.26 126.36 2dj0 h ALA 100 Ca 0.26 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2dj0 h ALA 100 Cb 0.97 0.50 -0.15 0.00 0.00 0.00 0.00 17.79 19.11 2dj0 h ALA 100 CO 1.42 -0.84 -0.02 0.00 0.00 0.00 0.00 179.25 179.81 2dj0 s MET 101 N -6.03 1.03 -0.10 0.00 0.00 -1.23 -5.04 119.30 107.93 2dj0 s MET 101 Ca -0.16 -0.42 -0.14 0.00 0.00 0.00 0.00 55.69 54.98 2dj0 s MET 101 Cb 0.08 0.46 0.03 0.00 0.00 0.00 0.00 34.83 35.41 2dj0 s MET 101 CO 0.65 -0.38 0.37 -0.98 0.00 0.00 0.00 175.02 174.67 2dj0 s ARG 102 N -2.91 0.52 0.01 3.16 1.04 -1.26 -1.84 118.95 117.66 2dj0 s ARG 102 Ca -0.03 0.32 0.01 0.00 -1.04 0.00 0.00 55.73 54.99 2dj0 s ARG 102 Cb -0.00 0.24 -0.01 0.00 -2.04 0.00 0.00 34.95 33.14 2dj0 s ARG 102 CO -0.05 -0.09 -0.03 1.03 -0.04 0.00 0.00 175.30 176.11 2dj0 s ARG 103 N -0.25 0.25 0.24 3.89 1.81 -0.65 -2.98 118.95 121.26 2dj0 s ARG 103 Ca -0.04 -0.35 -0.30 0.00 -1.72 0.00 0.00 55.73 53.32 2dj0 s ARG 103 Cb -0.03 -0.08 -0.09 0.00 -0.45 0.00 0.00 34.95 34.30 2dj0 s ARG 103 CO 0.02 0.01 1.28 -1.25 -0.68 0.00 0.00 175.30 174.67 2dj0 s PRO 104 N -0.75 4.42 0.36 3.54 0.04 -1.26 -1.75 135.00 139.60 2dj0 s PRO 104 Ca -0.07 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 62.76 2dj0 s PRO 104 Cb -0.05 -3.17 -0.09 0.00 0.04 0.00 0.00 34.50 31.23 2dj0 s PRO 104 CO -0.00 -0.17 1.14 -1.14 0.04 0.00 0.00 177.00 176.87 2dj0 s GLN 105 N -0.66 4.27 -0.07 4.56 2.00 -1.16 -4.67 119.66 123.93 2dj0 s GLN 105 Ca 0.53 1.81 -0.22 0.00 -2.00 0.00 0.00 55.36 55.48 2dj0 s GLN 105 Cb -0.36 -2.84 -0.04 0.00 0.80 0.00 0.00 33.01 30.57 2dj0 s GLN 105 CO 0.42 -0.12 0.64 0.42 -0.50 0.00 0.00 175.29 176.15 2dj0 s ILE 106 N -1.35 5.06 0.70 -2.34 -1.09 -1.26 -1.99 121.20 118.92 2dj0 s ILE 106 Ca 0.53 1.32 -0.12 0.00 -2.23 0.00 0.00 60.65 60.15 2dj0 s ILE 106 Cb -0.30 -3.98 0.17 0.00 -1.58 0.00 0.00 42.46 36.76 2dj0 s ILE 106 CO 0.39 0.29 0.80 -0.67 -1.23 0.00 0.00 174.94 174.52 2dj0 n ASP 107 N 3.63 -0.63 -0.04 3.58 2.03 -0.85 -4.89 116.55 119.37 2dj0 n ASP 107 Ca -0.03 -1.16 -0.00 0.00 0.52 0.00 0.00 54.79 54.11 2dj0 n ASP 107 Cb 0.51 -0.65 0.28 0.00 -0.72 0.00 0.00 41.12 40.54 2dj0 n ASP 107 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2dj0 h LYS 108 N 0.00 0.62 -0.20 -0.67 3.64 -1.98 -2.87 116.57 115.12 2dj0 h LYS 108 Ca -0.27 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 58.98 2dj0 h LYS 108 Cb 0.78 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2dj0 h LYS 108 CO 0.19 0.59 0.07 0.87 -2.27 0.00 0.00 179.45 178.90 2dj0 h LYS 109 N 0.60 0.30 0.00 1.90 1.57 -2.03 -3.47 116.57 115.43 2dj0 h LYS 109 Ca 0.14 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2dj0 h LYS 109 Cb 0.26 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2dj0 h LYS 109 CO 0.00 0.37 0.00 0.41 -0.57 0.00 0.00 179.45 179.66 2dj0 n GLY 110 N -0.67 1.26 3.08 3.86 0.00 -1.08 -5.15 105.19 106.48 2dj0 n GLY 110 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.72 0.14 1.61 3.03 -1.26 -4.91 118.95 118.27 2dj0 s ARG 111 Ca 0.00 -0.62 -0.31 0.00 2.03 0.00 0.00 55.73 56.83 2dj0 s ARG 111 Cb 0.00 -0.65 -0.08 0.00 -1.03 0.00 0.00 34.95 33.19 2dj0 s ARG 111 CO 0.00 0.16 1.33 0.00 -1.13 0.00 0.00 175.30 175.66 2dj0 s ALA 112 N -0.81 3.54 0.36 7.88 0.00 -1.26 -2.01 121.76 129.46 2dj0 s ALA 112 Ca -0.01 1.08 -0.27 0.00 0.00 0.00 0.00 51.96 52.75 2dj0 s ALA 112 Cb -0.07 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 2dj0 s ALA 112 CO 0.01 -0.56 1.17 0.08 0.00 0.00 0.00 175.76 176.46 2dj0 s VAL 113 N 0.75 3.17 -0.83 0.00 1.01 -0.84 -4.91 120.40 118.75 2dj0 s VAL 113 Ca 0.61 1.06 -0.25 0.00 0.00 0.00 0.00 61.98 63.40 2dj0 s VAL 113 Cb -0.36 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 2dj0 s VAL 113 CO 0.33 0.17 2.01 -0.94 0.00 0.00 0.00 175.10 176.66 2dj0 s SER 114 N -0.96 4.97 0.14 3.32 1.04 -1.26 -4.74 113.70 116.20 2dj0 s SER 114 Ca 0.52 -0.37 0.08 0.00 0.48 0.00 0.00 55.95 56.67 2dj0 s SER 114 Cb -0.32 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.20 2dj0 s SER 114 CO 0.41 -2.85 -0.13 0.86 0.98 0.00 0.00 173.24 172.52 2dj0 s TRP 115 N 10.65 2.63 0.46 5.02 -0.00 -1.26 -5.13 118.94 131.31 2dj0 s TRP 115 Ca 0.74 -0.22 -0.14 0.00 -0.00 0.00 0.00 56.10 56.48 2dj0 s TRP 115 Cb -0.09 -1.35 -0.07 0.00 -0.00 0.00 0.00 33.47 31.96 2dj0 s TRP 115 CO 0.04 0.44 0.88 0.99 -0.00 0.00 0.00 176.95 179.31 2dj0 s THR 116 N -1.36 4.64 -0.61 5.86 2.01 -1.26 -5.04 115.64 119.88 2dj0 s THR 116 Ca 0.21 0.96 0.04 0.00 0.31 0.00 0.00 61.69 63.21 2dj0 s THR 116 Cb -0.10 -3.72 0.16 0.00 0.01 0.00 0.00 72.50 68.85 2dj0 s THR 116 CO 0.13 -0.59 0.41 -0.36 -0.69 0.00 0.00 174.62 173.52 2dj0 s PHE 117 N -2.48 3.09 0.31 4.92 0.08 -1.26 -4.86 117.98 117.78 2dj0 s PHE 117 Ca 0.55 -3.12 0.01 0.00 0.12 0.00 0.00 56.93 54.50 2dj0 s PHE 117 Cb -0.10 -2.47 -0.00 0.00 -0.57 0.00 0.00 43.02 39.87 2dj0 s PHE 117 CO 0.30 -0.64 0.05 -1.13 -0.10 0.00 0.00 175.22 173.70 2dj0 n SER 118 N 2.44 2.06 0.09 1.36 3.41 -1.26 -4.94 113.62 116.79 2dj0 n SER 118 Ca 0.17 -2.47 -0.04 0.00 -0.26 0.00 0.00 58.87 56.27 2dj0 n SER 118 Cb 0.36 0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 64.74 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 -0.26 -0.24 4.33 4.81 -1.98 -2.77 114.58 118.48 2dj0 h GLU 119 Ca -0.25 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.04 2dj0 h GLU 119 Cb 0.83 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.20 2dj0 h GLU 119 CO 0.40 -0.17 -0.52 1.05 -0.73 0.00 0.00 179.01 179.04 2dj0 h GLU 120 N -0.59 -0.48 -0.34 1.92 4.11 -1.98 -1.45 114.58 115.77 2dj0 h GLU 120 Ca -0.03 0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.47 2dj0 h GLU 120 Cb 0.21 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.50 2dj0 h GLU 120 CO 0.05 -0.32 -0.44 -0.91 0.07 0.00 0.00 179.01 177.46 2dj0 h ASN 121 N -0.50 -1.48 -0.80 3.06 4.21 -1.96 0.12 115.58 118.24 2dj0 h ASN 121 Ca 0.06 0.19 0.15 0.00 1.21 0.00 0.00 56.30 57.92 2dj0 h ASN 121 Cb 0.64 0.61 -0.15 0.00 -1.12 0.00 0.00 38.32 38.30 2dj0 h ASN 121 CO -0.49 -0.31 -0.24 0.58 -1.29 0.00 0.00 177.43 175.68 2dj0 h VAL 122 N -0.30 0.17 0.00 2.81 2.07 -1.15 1.37 116.25 121.22 2dj0 h VAL 122 Ca 0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2dj0 h VAL 122 Cb 0.46 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2dj0 h VAL 122 CO -0.48 0.00 -0.08 0.40 0.02 0.00 0.00 177.57 177.43 2dj0 h ILE 123 N -0.02 0.52 0.00 4.57 2.04 -0.13 -1.30 117.51 123.19 2dj0 h ILE 123 Ca 0.37 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2dj0 h ILE 123 Cb 0.59 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2dj0 h ILE 123 CO -0.83 0.08 -0.06 -0.09 0.00 0.00 0.00 178.15 177.25 2dj0 h ARG 124 N 0.00 0.00 -0.94 2.37 9.65 0.42 0.17 114.38 126.04 2dj0 h ARG 124 Ca -0.00 0.00 0.18 0.00 -1.10 0.00 0.00 59.98 59.06 2dj0 h ARG 124 Cb 0.25 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.75 2dj0 h ARG 124 CO 0.01 0.00 0.60 1.05 2.80 0.00 0.00 179.97 184.43 2dj0 h GLU 125 N -0.88 0.58 -0.43 0.20 4.11 -0.33 0.30 114.58 118.14 2dj0 h GLU 125 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2dj0 h GLU 125 Cb 0.06 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2dj0 h GLU 125 CO 0.00 0.39 0.00 1.19 0.07 0.00 0.00 179.01 180.66 2dj0 n PHE 126 N -4.60 0.55 -3.89 2.06 3.72 -0.49 -4.96 117.46 109.85 2dj0 n PHE 126 Ca 0.20 -0.30 -0.29 0.00 -0.05 0.00 0.00 57.45 57.02 2dj0 n PHE 126 Cb 0.60 -0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.07 2dj0 n PHE 126 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2dj0 n ASN 127 N 1.44 -0.42 -0.14 4.37 4.13 0.11 -4.71 115.26 120.03 2dj0 n ASN 127 Ca 0.19 -0.98 0.25 0.00 1.68 0.00 0.00 54.58 55.73 2dj0 n ASN 127 Cb 0.59 -1.24 0.69 0.00 -1.54 0.00 0.00 39.78 38.28 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 -0.90 0.04 -0.98 3.41 3.38 -1.15 0.18 115.31 119.29 2dj0 h LEU 128 Ca -0.49 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 2dj0 h LEU 128 Cb 1.08 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 2dj0 h LEU 128 CO 0.63 0.02 0.33 0.78 0.09 0.00 0.00 178.44 180.28 2dj0 h ASN 129 N 0.04 0.96 0.21 -0.43 -0.26 -1.83 -2.54 115.58 111.73 2dj0 h ASN 129 Ca 0.39 -0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 55.99 2dj0 h ASN 129 Cb 1.48 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 2dj0 h ASN 129 CO -0.02 0.83 -0.10 -0.33 -1.06 0.00 0.00 177.43 176.75 2dj0 h GLU 130 N 1.04 -0.27 -0.79 0.81 4.39 -1.00 -3.29 114.58 115.48 2dj0 h GLU 130 Ca 0.25 0.02 0.07 0.00 0.34 0.00 0.00 59.36 60.04 2dj0 h GLU 130 Cb 0.14 0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 28.75 2dj0 h GLU 130 CO -0.03 0.02 -0.53 -0.07 -1.16 0.00 0.00 179.01 177.24 2dj0 h LEU 131 N -1.00 -1.92 -7.74 1.33 3.38 -1.43 -3.24 115.31 104.70 2dj0 h LEU 131 Ca -0.03 0.28 -0.71 0.00 0.09 0.00 0.00 57.88 57.51 2dj0 h LEU 131 Cb 0.41 0.84 -0.33 0.00 0.09 0.00 0.00 40.66 41.68 2dj0 h LEU 131 CO 0.05 -0.25 -0.35 -0.44 0.09 0.00 0.00 178.44 177.53 2dj0 s SER 132 N -5.19 5.52 0.07 -0.43 0.01 -0.96 -5.06 113.70 107.67 2dj0 s SER 132 Ca -0.11 -2.45 0.06 0.00 1.31 0.00 0.00 55.95 54.76 2dj0 s SER 132 Cb 0.10 -1.93 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 2dj0 s SER 132 CO 0.57 -0.50 -0.12 -0.83 0.41 0.00 0.00 173.24 172.77 2dj0 s GLY 133 N 1.55 1.73 -0.14 3.44 0.00 -1.23 -4.67 107.32 108.00 2dj0 s GLY 133 Ca 0.13 -1.20 -0.29 0.00 0.00 0.00 0.00 44.72 43.35 2dj0 s GLY 133 CO -0.04 -1.14 1.55 2.56 0.00 0.00 0.00 173.10 176.04 2dj0 s PRO 134 N -1.90 4.06 -0.00 2.90 0.04 -1.26 -4.88 135.00 133.96 2dj0 s PRO 134 Ca 0.19 1.88 -0.05 0.00 0.04 0.00 0.00 61.00 63.06 2dj0 s PRO 134 Cb -0.11 -3.95 -0.02 0.00 0.04 0.00 0.00 34.50 30.46 2dj0 s PRO 134 CO 0.11 -0.97 -0.10 0.43 0.04 0.00 0.00 177.00 176.51 2dj0 n SER 135 N 7.48 1.09 -3.03 6.66 7.64 -1.26 -5.04 113.62 127.16 2dj0 n SER 135 Ca 0.17 0.16 -0.18 0.00 1.01 0.00 0.00 58.87 60.03 2dj0 n SER 135 Cb 0.44 -0.41 0.07 0.00 -1.01 0.00 0.00 64.21 63.29 2dj0 n SER 135 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dj0 n SER 136 N -3.54 -4.33 0.00 6.43 2.88 -1.26 -5.37 113.62 108.43 2dj0 n SER 136 Ca -0.04 -0.47 0.06 0.00 -1.33 0.00 0.00 58.87 57.10 2dj0 n SER 136 Cb 0.14 -4.25 0.36 0.00 -0.75 0.00 0.00 64.21 59.71 2dj0 n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42