#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 1.31 0.11 1.61 0.01 -1.26 -5.16 113.70 110.32 2dj0 s SER 2 Ca 0.00 -1.08 0.04 0.00 1.31 0.00 0.00 55.95 56.22 2dj0 s SER 2 Cb 0.00 0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.27 2dj0 s SER 2 CO 0.00 -0.49 0.08 -0.55 0.41 0.00 0.00 173.24 172.70 2dj0 s SER 3 N -3.13 5.42 -1.25 2.44 0.15 -1.26 -5.04 113.70 111.04 2dj0 s SER 3 Ca 0.18 -0.09 -0.08 0.00 0.70 0.00 0.00 55.95 56.66 2dj0 s SER 3 Cb 0.05 -1.41 0.19 0.00 -1.71 0.00 0.00 66.02 63.14 2dj0 s SER 3 CO 0.00 0.14 1.86 0.61 1.20 0.00 0.00 173.24 177.05 2dj0 n GLY 4 N 0.18 4.90 2.34 9.45 0.00 -1.26 -4.73 105.19 116.07 2dj0 n GLY 4 Ca -0.09 -2.19 -0.33 0.00 0.00 0.00 0.00 46.02 43.41 2dj0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dj0 n SER 5 N 3.21 6.87 -0.11 1.61 7.64 -1.26 -4.59 113.62 126.99 2dj0 n SER 5 Ca 0.39 -3.78 -0.20 0.00 1.01 0.00 0.00 58.87 56.30 2dj0 n SER 5 Cb 0.35 -0.81 -0.08 0.00 -1.01 0.00 0.00 64.21 62.65 2dj0 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dj0 n SER 6 N -0.80 1.90 -3.41 6.43 2.88 -1.26 -5.02 113.62 114.34 2dj0 n SER 6 Ca 0.56 0.42 -0.23 0.00 -1.33 0.00 0.00 58.87 58.29 2dj0 n SER 6 Cb 0.68 -0.87 0.01 0.00 -0.75 0.00 0.00 64.21 63.28 2dj0 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj0 n GLY 7 N 1.41 -0.76 3.01 0.46 0.00 -1.26 -4.95 105.19 103.10 2dj0 n GLY 7 Ca -0.33 0.59 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.39 1.48 0.12 1.61 1.13 -1.26 -5.14 117.35 112.91 2dj0 s TYR 8 Ca 0.07 -0.58 0.08 0.00 -1.41 0.00 0.00 57.07 55.24 2dj0 s TYR 8 Cb -0.01 -1.10 -0.04 0.00 -1.10 0.00 0.00 41.96 39.71 2dj0 s TYR 8 CO 0.71 -0.31 -0.15 0.42 -2.51 0.00 0.00 175.55 173.71 2dj0 s ILE 9 N 0.80 3.02 -0.69 -3.49 1.01 -1.26 -4.82 121.20 115.76 2dj0 s ILE 9 Ca -0.12 -1.48 -0.20 0.00 0.00 0.00 0.00 60.65 58.86 2dj0 s ILE 9 Cb -0.15 -2.41 0.11 0.00 0.01 0.00 0.00 42.46 40.01 2dj0 s ILE 9 CO 0.02 0.07 0.87 -0.75 0.00 0.00 0.00 174.94 175.15 2dj0 s LYS 10 N -2.27 3.21 0.86 2.79 2.47 -0.49 -4.93 119.74 121.37 2dj0 s LYS 10 Ca 0.20 -1.35 -0.11 0.00 -1.56 0.00 0.00 55.97 53.15 2dj0 s LYS 10 Cb -0.10 -4.40 0.11 0.00 -1.46 0.00 0.00 37.83 31.97 2dj0 s LYS 10 CO 0.12 -1.65 1.09 0.71 0.16 0.00 0.00 175.35 175.78 2dj0 s TYR 11 N 2.91 2.45 -0.01 4.03 1.51 -1.26 -2.67 117.35 124.31 2dj0 s TYR 11 Ca 0.19 1.30 -0.11 0.00 -1.01 0.00 0.00 57.07 57.44 2dj0 s TYR 11 Cb -0.17 -3.13 0.01 0.00 -0.11 0.00 0.00 41.96 38.56 2dj0 s TYR 11 CO 0.03 -2.18 0.22 -0.06 -1.11 0.00 0.00 175.55 172.45 2dj0 s PHE 12 N -2.96 -0.06 0.74 2.71 0.08 -0.89 -4.82 117.98 112.78 2dj0 s PHE 12 Ca 0.63 0.06 -0.04 0.00 0.12 0.00 0.00 56.93 57.70 2dj0 s PHE 12 Cb -0.17 0.02 0.15 0.00 -0.57 0.00 0.00 43.02 42.45 2dj0 s PHE 12 CO 0.56 -0.33 1.02 -1.71 -0.10 0.00 0.00 175.22 174.66 2dj0 n ASN 13 N 1.38 0.99 0.15 1.36 5.15 -1.26 -4.69 115.26 118.34 2dj0 n ASN 13 Ca -0.22 -1.92 0.01 0.00 -0.60 0.00 0.00 54.58 51.85 2dj0 n ASN 13 Cb 0.56 -0.69 0.18 0.00 -0.53 0.00 0.00 39.78 39.30 2dj0 n ASN 13 CO 0.00 0.00 0.00 -2.24 1.40 0.00 0.00 177.26 176.42 2dj0 h ASP 14 N -0.82 0.00 0.00 1.20 2.03 -1.98 -2.65 116.42 114.20 2dj0 h ASP 14 Ca -0.33 0.00 -0.42 0.00 -0.73 0.00 0.00 57.03 55.55 2dj0 h ASP 14 Cb 1.14 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.58 2dj0 h ASP 14 CO 0.32 0.55 -2.36 1.17 -1.03 0.00 0.00 179.24 177.89 2dj0 n LYS 15 N -3.54 0.58 -0.35 4.15 0.00 -1.26 -4.49 118.16 113.26 2dj0 n LYS 15 Ca -0.00 0.27 0.08 0.00 0.00 0.00 0.00 58.31 58.67 2dj0 n LYS 15 Cb 0.63 -1.50 0.27 0.00 0.00 0.00 0.00 35.03 34.43 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 -1.00 0.89 -1.70 3.15 1.35 -1.96 -0.87 112.91 112.77 2dj0 h THR 16 Ca -0.63 -0.32 0.49 0.00 -0.55 0.00 0.00 66.41 65.40 2dj0 h THR 16 Cb 1.55 -0.12 -0.07 0.00 -1.73 0.00 0.00 68.15 67.78 2dj0 h THR 16 CO -0.38 0.17 1.23 -0.29 -0.25 0.00 0.00 175.52 176.00 2dj0 h ILE 17 N 0.93 0.14 0.00 6.82 2.10 -1.69 -0.42 117.51 125.38 2dj0 h ILE 17 Ca 0.50 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.44 2dj0 h ILE 17 Cb 0.56 0.14 0.00 0.00 -1.09 0.00 0.00 36.82 36.43 2dj0 h ILE 17 CO -0.27 0.00 -0.01 -0.78 -1.08 0.00 0.00 178.15 176.02 2dj0 h ASP 18 N 0.00 0.00 -1.00 2.19 1.82 -1.41 -2.91 116.42 115.11 2dj0 h ASP 18 Ca 0.81 0.00 0.34 0.00 -0.39 0.00 0.00 57.03 57.79 2dj0 h ASP 18 Cb 3.27 0.00 -0.18 0.00 0.68 0.00 0.00 39.33 43.09 2dj0 h ASP 18 CO -0.01 0.16 0.26 1.05 -1.61 0.00 0.00 179.24 179.10 2dj0 h GLU 19 N -0.32 0.01 0.50 0.28 4.11 -1.35 0.45 114.58 118.26 2dj0 h GLU 19 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 2dj0 h GLU 19 Cb 0.01 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2dj0 h GLU 19 CO 0.00 0.01 -0.24 1.49 0.07 0.00 0.00 179.01 180.34 2dj0 h GLU 20 N 0.01 -0.65 0.00 1.06 4.57 -1.26 -1.28 114.58 117.03 2dj0 h GLU 20 Ca 0.72 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.94 2dj0 h GLU 20 Cb 1.70 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.44 2dj0 h GLU 20 CO -0.85 -0.35 0.00 1.28 -1.18 0.00 0.00 179.01 177.91 2dj0 n LEU 21 N -5.30 0.23 -0.01 1.64 4.77 0.58 -0.36 117.00 118.56 2dj0 n LEU 21 Ca -0.11 0.59 -0.10 0.00 -0.03 0.00 0.00 56.01 56.36 2dj0 n LEU 21 Cb 0.31 -0.60 -0.14 0.00 -2.33 0.00 0.00 43.42 40.66 2dj0 n LEU 21 CO 0.33 -0.58 -0.53 -0.08 -1.33 0.00 0.00 177.39 175.20 2dj0 h GLU 22 N 0.00 0.04 0.00 3.23 4.57 0.17 -3.08 114.58 119.51 2dj0 h GLU 22 Ca 0.00 -0.07 -0.11 0.00 -1.18 0.00 0.00 59.36 58.00 2dj0 h GLU 22 Cb 0.10 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 2dj0 h GLU 22 CO 0.00 0.62 -1.46 2.89 -1.18 0.00 0.00 179.01 179.88 2dj0 n ARG 23 N -3.12 0.63 -0.69 1.92 1.85 -0.50 -4.02 116.66 112.72 2dj0 n ARG 23 Ca -0.18 0.11 0.06 0.00 -1.00 0.00 0.00 57.85 56.83 2dj0 n ARG 23 Cb 1.05 -1.75 0.31 0.00 -1.05 0.00 0.00 32.46 31.02 2dj0 n ARG 23 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2dj0 n ASP 24 N -2.72 4.57 -0.01 2.89 8.00 0.52 -4.77 116.55 125.04 2dj0 n ASP 24 Ca -0.08 -3.06 -0.00 0.00 0.71 0.00 0.00 54.79 52.36 2dj0 n ASP 24 Cb 0.74 -0.62 -0.00 0.00 -0.02 0.00 0.00 41.12 41.21 2dj0 n ASP 24 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2dj0 h LYS 25 N 2.61 -0.00 -1.12 -1.24 1.57 -1.67 0.32 116.57 117.03 2dj0 h LYS 25 Ca 0.05 0.00 0.42 0.00 -1.87 0.00 0.00 60.65 59.24 2dj0 h LYS 25 Cb 1.76 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.91 2dj0 h LYS 25 CO 0.39 -0.00 0.65 0.07 -0.57 0.00 0.00 179.45 179.99 2dj0 h ARG 26 N -0.00 0.06 -6.52 3.15 0.11 -1.89 -1.93 114.38 107.36 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 0.01 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 2dj0 h ARG 26 CO -0.02 0.04 0.22 0.08 0.10 0.00 0.00 179.97 180.40 2dj0 s VAL 27 N -5.46 4.40 -0.04 0.08 1.01 0.11 -4.75 120.40 115.75 2dj0 s VAL 27 Ca -0.09 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 63.39 2dj0 s VAL 27 Cb 0.32 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2dj0 s VAL 27 CO 0.80 0.47 0.99 -0.89 0.00 0.00 0.00 175.10 176.46 2dj0 s THR 28 N -0.85 4.84 -0.17 3.92 2.01 -1.26 -4.44 115.64 119.70 2dj0 s THR 28 Ca 0.38 2.05 0.01 0.00 0.31 0.00 0.00 61.69 64.44 2dj0 s THR 28 Cb -0.23 -4.31 0.02 0.00 0.01 0.00 0.00 72.50 67.98 2dj0 s THR 28 CO 0.27 0.10 -0.20 0.26 -0.69 0.00 0.00 174.62 174.36 2dj0 s TRP 29 N 1.38 2.68 -0.43 4.92 0.52 -0.99 -4.00 118.94 123.03 2dj0 s TRP 29 Ca 0.50 -1.53 -0.09 0.00 0.02 0.00 0.00 56.10 55.00 2dj0 s TRP 29 Cb -0.20 -1.86 0.09 0.00 -1.15 0.00 0.00 33.47 30.35 2dj0 s TRP 29 CO 0.24 -0.75 0.28 -1.50 0.02 0.00 0.00 176.95 175.24 2dj0 s ILE 30 N 1.20 4.24 -0.12 2.03 2.07 -1.23 -2.68 121.20 126.70 2dj0 s ILE 30 Ca 0.02 -1.47 -0.05 0.00 -1.41 0.00 0.00 60.65 57.75 2dj0 s ILE 30 Cb -0.14 -3.63 -0.04 0.00 0.13 0.00 0.00 42.46 38.79 2dj0 s ILE 30 CO -0.10 -0.56 0.05 -0.69 -1.91 0.00 0.00 174.94 171.73 2dj0 s VAL 31 N 1.41 4.68 -0.17 4.00 1.01 -1.22 -1.70 120.40 128.41 2dj0 s VAL 31 Ca 0.04 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 2dj0 s VAL 31 Cb -0.24 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 2dj0 s VAL 31 CO 0.02 0.56 0.21 -0.70 0.00 0.00 0.00 175.10 175.20 2dj0 s GLU 32 N -0.52 4.16 -0.36 2.72 2.12 -0.45 -3.07 118.70 123.30 2dj0 s GLU 32 Ca 0.10 -0.05 -0.12 0.00 0.36 0.00 0.00 54.97 55.26 2dj0 s GLU 32 Cb -0.12 -3.40 0.01 0.00 0.26 0.00 0.00 34.13 30.88 2dj0 s GLU 32 CO 0.02 0.31 0.23 -0.06 -0.54 0.00 0.00 175.26 175.23 2dj0 s PHE 33 N 0.28 3.22 0.21 5.30 0.40 0.12 -1.16 117.98 126.36 2dj0 s PHE 33 Ca 0.13 -0.56 -0.00 0.00 -0.60 0.00 0.00 56.93 55.89 2dj0 s PHE 33 Cb -0.12 -2.47 -0.04 0.00 0.51 0.00 0.00 43.02 40.89 2dj0 s PHE 33 CO 0.02 -0.51 0.11 -0.59 0.70 0.00 0.00 175.22 174.95 2dj0 s PHE 34 N 1.65 1.24 0.26 0.36 -0.71 -1.16 0.46 117.98 120.07 2dj0 s PHE 34 Ca 0.05 -1.30 0.10 0.00 -1.04 0.00 0.00 56.93 54.73 2dj0 s PHE 34 Cb -0.18 -0.65 -0.05 0.00 -1.21 0.00 0.00 43.02 40.93 2dj0 s PHE 34 CO 0.09 -0.53 -0.16 0.00 -1.34 0.00 0.00 175.22 173.28 2dj0 s ALA 35 N -4.02 2.44 0.25 1.99 0.00 -1.26 -0.10 121.76 121.05 2dj0 s ALA 35 Ca 0.37 -1.81 0.18 0.00 0.00 0.00 0.00 51.96 50.70 2dj0 s ALA 35 Cb 0.07 -0.13 0.77 0.00 0.00 0.00 0.00 23.12 23.82 2dj0 s ALA 35 CO 0.11 0.15 1.79 -0.91 0.00 0.00 0.00 175.76 176.90 2dj0 h ASN 36 N 2.36 0.00 -0.59 0.00 2.35 -1.95 -2.56 115.58 115.20 2dj0 h ASN 36 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 2dj0 h ASN 36 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 2dj0 h ASN 36 CO 0.62 0.36 0.00 -2.67 -1.65 0.00 0.00 177.43 174.09 2dj0 n TRP 37 N -3.67 1.40 -3.17 1.19 4.27 -1.26 -4.76 117.44 111.44 2dj0 n TRP 37 Ca -0.01 -0.55 -0.45 0.00 -3.89 0.00 0.00 57.50 52.60 2dj0 n TRP 37 Cb 0.46 -0.25 -0.01 0.00 -1.36 0.00 0.00 31.31 30.16 2dj0 n TRP 37 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2dj0 s SER 38 N -0.84 6.99 0.23 -0.67 0.15 -0.97 -4.86 113.70 113.74 2dj0 s SER 38 Ca 0.47 -2.94 -0.07 0.00 0.70 0.00 0.00 55.95 54.11 2dj0 s SER 38 Cb 0.31 -2.29 0.20 0.00 -1.71 0.00 0.00 66.02 62.53 2dj0 s SER 38 CO 0.22 -0.61 1.86 0.78 1.20 0.00 0.00 173.24 176.69 2dj0 h ASN 39 N 7.47 1.11 -0.41 5.45 2.35 -1.87 -1.78 115.58 127.90 2dj0 h ASN 39 Ca 0.19 -0.10 0.12 0.00 -0.55 0.00 0.00 56.30 55.96 2dj0 h ASN 39 Cb 0.95 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 2dj0 h ASN 39 CO 1.01 0.88 0.51 -0.78 -1.65 0.00 0.00 177.43 177.41 2dj0 h ASP 40 N 1.24 0.00 -0.50 5.81 1.82 -1.92 0.21 116.42 123.08 2dj0 h ASP 40 Ca 0.31 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.83 2dj0 h ASP 40 Cb 0.02 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 2dj0 h ASP 40 CO -0.05 0.00 -0.18 0.00 -1.61 0.00 0.00 179.24 177.40 2dj0 h GLN 42 N 0.86 0.11 -0.34 0.00 3.07 -0.70 1.15 115.11 119.26 2dj0 h GLN 42 Ca 0.12 -0.01 -0.09 0.00 0.09 0.00 0.00 58.65 58.76 2dj0 h GLN 42 Cb 0.75 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.27 2dj0 h GLN 42 CO 0.06 0.07 -0.16 1.03 0.09 0.00 0.00 178.83 179.92 2dj0 h SER 43 N 0.11 0.61 0.36 0.06 0.87 -1.63 -2.86 113.55 111.08 2dj0 h SER 43 Ca 0.69 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 2dj0 h SER 43 Cb 2.39 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 64.19 2dj0 h SER 43 CO -0.17 0.79 -1.03 0.33 -0.53 0.00 0.00 176.83 176.22 2dj0 n PHE 44 N -4.16 0.20 -0.36 2.24 7.35 0.33 -4.37 117.46 118.70 2dj0 n PHE 44 Ca 0.01 0.06 -0.09 0.00 -0.76 0.00 0.00 57.45 56.66 2dj0 n PHE 44 Cb 0.37 -0.37 -0.09 0.00 0.35 0.00 0.00 39.48 39.75 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 -1.78 -0.55 -0.06 3.13 0.00 0.22 -0.02 120.51 121.46 2dj0 n ALA 45 Ca 0.02 0.72 -0.13 0.00 0.00 0.00 0.00 53.44 54.06 2dj0 n ALA 45 Cb 0.42 -0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 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 0.39 -1.00 0.00 0.13 -1.79 -2.77 132.00 126.97 2dj0 h PRO 46 Ca 0.14 -0.21 0.23 0.00 -0.87 0.00 0.00 66.00 65.29 2dj0 h PRO 46 Cb 0.35 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.39 2dj0 h PRO 46 CO -0.80 0.77 0.63 0.82 -0.23 0.00 0.00 178.00 179.19 2dj0 h ILE 47 N 0.03 0.61 0.00 -3.56 2.04 -1.51 0.15 117.51 115.27 2dj0 h ILE 47 Ca 0.03 -0.17 -0.24 0.00 1.00 0.00 0.00 64.86 65.48 2dj0 h ILE 47 Cb 0.70 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2dj0 h ILE 47 CO 0.04 0.09 -0.97 0.22 0.00 0.00 0.00 178.15 177.53 2dj0 h TYR 48 N 0.50 0.72 0.14 1.37 3.20 -0.40 -3.05 116.97 119.46 2dj0 h TYR 48 Ca 0.57 -0.39 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 2dj0 h TYR 48 Cb 1.26 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.45 2dj0 h TYR 48 CO -0.00 1.22 -0.08 0.00 -1.64 0.00 0.00 178.16 177.65 2dj0 h ALA 49 N 0.65 -0.20 -0.33 1.82 0.00 -0.47 -0.25 119.26 120.48 2dj0 h ALA 49 Ca -0.09 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2dj0 h ALA 49 Cb 1.61 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 2dj0 h ALA 49 CO 0.17 -0.62 0.11 -0.44 0.00 0.00 0.00 179.25 178.48 2dj0 h ASP 50 N -0.21 0.12 0.78 0.00 3.32 -1.33 -1.84 116.42 117.25 2dj0 h ASP 50 Ca -0.01 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2dj0 h ASP 50 Cb 0.17 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2dj0 h ASP 50 CO 0.02 0.10 -0.46 -0.07 -1.72 0.00 0.00 179.24 177.11 2dj0 h LEU 51 N 0.25 -1.16 -0.56 1.55 3.38 -1.40 -2.48 115.31 114.89 2dj0 h LEU 51 Ca 0.15 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.27 2dj0 h LEU 51 Cb 0.12 0.33 -0.10 0.00 0.09 0.00 0.00 40.66 41.10 2dj0 h LEU 51 CO -0.15 -0.72 -0.44 0.77 0.09 0.00 0.00 178.44 177.99 2dj0 h SER 52 N -1.16 -1.50 -0.83 -0.43 4.64 -0.93 0.18 113.55 113.52 2dj0 h SER 52 Ca -0.10 0.24 0.21 0.00 -0.47 0.00 0.00 61.79 61.67 2dj0 h SER 52 Cb 0.93 0.68 -0.13 0.00 -0.31 0.00 0.00 62.40 63.56 2dj0 h SER 52 CO 0.11 -0.34 0.22 -0.07 -0.87 0.00 0.00 176.83 175.89 2dj0 h LEU 53 N -0.24 0.02 0.20 5.97 3.38 -1.26 1.90 115.31 125.29 2dj0 h LEU 53 Ca 0.17 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 2dj0 h LEU 53 Cb 0.56 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2dj0 h LEU 53 CO -0.68 -0.10 -0.10 0.50 0.09 0.00 0.00 178.44 178.15 2dj0 h LYS 54 N 0.25 -0.26 -0.66 1.13 3.64 -0.28 -2.82 116.57 117.57 2dj0 h LYS 54 Ca 0.50 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 2dj0 h LYS 54 Cb 0.96 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2dj0 h LYS 54 CO -0.60 0.02 0.00 0.66 -2.27 0.00 0.00 179.45 177.26 2dj0 n TYR 55 N -5.09 0.56 -3.08 1.91 4.01 0.15 -4.73 117.16 110.88 2dj0 n TYR 55 Ca -0.09 -0.21 -0.45 0.00 -0.16 0.00 0.00 57.90 56.99 2dj0 n TYR 55 Cb 0.22 -0.16 -0.04 0.00 -0.31 0.00 0.00 39.34 39.05 2dj0 n TYR 55 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2dj0 s ASN 56 N -0.50 6.35 0.30 7.72 0.01 0.63 -3.93 114.94 125.54 2dj0 s ASN 56 Ca 0.17 -1.70 -0.07 0.00 -0.71 0.00 0.00 52.86 50.55 2dj0 s ASN 56 Cb 0.12 -2.32 0.00 0.00 0.41 0.00 0.00 41.25 39.46 2dj0 s ASN 56 CO 0.07 -1.06 0.48 0.00 -1.51 0.00 0.00 177.10 175.08 2dj0 h THR 58 N 2.19 0.15 0.00 0.00 1.03 -2.02 -3.32 112.91 110.94 2dj0 h THR 58 Ca -0.28 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.08 2dj0 h THR 58 Cb 1.25 0.01 0.00 0.00 -1.07 0.00 0.00 68.15 68.34 2dj0 h THR 58 CO 0.39 0.02 0.00 0.61 -0.01 0.00 0.00 175.52 176.53 2dj0 n GLY 59 N -1.35 1.36 3.74 2.99 0.00 -1.26 -4.87 105.19 105.79 2dj0 n GLY 59 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 4.37 0.30 0.99 2.96 -1.25 -4.83 118.68 121.22 2dj0 s LEU 60 Ca 0.00 2.77 0.04 0.00 -0.22 0.00 0.00 54.13 56.72 2dj0 s LEU 60 Cb 0.00 -3.62 -0.06 0.00 0.50 0.00 0.00 46.19 43.01 2dj0 s LEU 60 CO 0.00 -0.82 0.03 0.20 -1.32 0.00 0.00 176.35 174.44 2dj0 s ASN 61 N 0.61 2.30 -0.00 3.68 0.01 -1.25 -1.70 114.94 118.58 2dj0 s ASN 61 Ca 0.64 -1.31 0.05 0.00 -0.71 0.00 0.00 52.86 51.53 2dj0 s ASN 61 Cb -0.45 -0.07 -0.01 0.00 0.41 0.00 0.00 41.25 41.12 2dj0 s ASN 61 CO 0.42 -0.55 -0.16 -0.36 -1.51 0.00 0.00 177.10 174.94 2dj0 s PHE 62 N -3.28 1.43 0.30 2.20 0.40 -1.26 -3.54 117.98 114.22 2dj0 s PHE 62 Ca 0.34 -0.29 -0.00 0.00 -0.60 0.00 0.00 56.93 56.37 2dj0 s PHE 62 Cb 0.07 -0.90 -0.02 0.00 0.51 0.00 0.00 43.02 42.68 2dj0 s PHE 62 CO 0.13 -0.01 0.35 0.20 0.70 0.00 0.00 175.22 176.60 2dj0 s GLY 63 N -0.55 1.62 0.09 4.36 0.00 -0.69 -1.39 107.32 110.76 2dj0 s GLY 63 Ca 0.06 -1.65 -0.09 0.00 0.00 0.00 0.00 44.72 43.04 2dj0 s GLY 63 CO -0.00 -1.18 0.20 0.54 0.00 0.00 0.00 173.10 172.67 2dj0 s LYS 64 N -3.49 0.86 -0.24 2.90 1.02 -1.09 -1.35 119.74 118.35 2dj0 s LYS 64 Ca 0.34 -0.94 -0.05 0.00 0.02 0.00 0.00 55.97 55.34 2dj0 s LYS 64 Cb 0.02 0.35 0.12 0.00 -0.52 0.00 0.00 37.83 37.80 2dj0 s LYS 64 CO 0.20 -0.28 0.45 0.54 -0.92 0.00 0.00 175.35 175.34 2dj0 s VAL 65 N -3.86 -0.72 -0.58 3.17 0.11 -0.31 -2.09 120.40 116.13 2dj0 s VAL 65 Ca 0.05 0.04 -0.27 0.00 -2.93 0.00 0.00 61.98 58.86 2dj0 s VAL 65 Cb 0.05 -0.80 -0.00 0.00 -1.53 0.00 0.00 36.38 34.09 2dj0 s VAL 65 CO -0.11 -0.02 1.64 -0.62 -3.33 0.00 0.00 175.10 172.66 2dj0 s ASP 66 N 2.65 5.72 0.16 3.54 2.15 -1.26 -2.96 116.67 126.67 2dj0 s ASP 66 Ca 0.07 0.32 0.16 0.00 0.43 0.00 0.00 52.55 53.52 2dj0 s ASP 66 Cb -0.14 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 39.89 2dj0 s ASP 66 CO -0.16 -2.03 1.11 -0.37 -0.17 0.00 0.00 175.17 173.55 2dj0 h VAL 67 N 6.61 0.69 -0.25 1.11 -1.51 -0.83 -2.94 116.25 119.13 2dj0 h VAL 67 Ca -0.27 -2.12 0.07 0.00 -1.23 0.00 0.00 66.70 63.15 2dj0 h VAL 67 Cb 1.13 2.22 -0.01 0.00 -2.13 0.00 0.00 31.29 32.49 2dj0 h VAL 67 CO 1.19 0.39 0.34 1.23 -1.23 0.00 0.00 177.57 179.50 2dj0 h GLY 68 N 3.60 0.00 0.00 5.19 0.00 -1.86 -1.81 103.07 108.18 2dj0 h GLY 68 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 2dj0 h GLY 68 CO 0.06 0.00 -1.28 -2.13 0.00 0.00 0.00 176.54 173.19 2dj0 n ARG 69 N -3.54 0.27 -2.08 4.80 0.63 -1.25 -4.71 116.66 110.78 2dj0 n ARG 69 Ca 0.03 -0.05 -0.38 0.00 -0.92 0.00 0.00 57.85 56.53 2dj0 n ARG 69 Cb 0.47 -1.14 0.00 0.00 0.45 0.00 0.00 32.46 32.24 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 -1.72 2.55 -0.57 -0.14 4.02 -0.68 -4.78 117.16 115.84 2dj0 n TYR 70 Ca -0.01 -2.44 0.44 0.00 -0.01 0.00 0.00 57.90 55.88 2dj0 n TYR 70 Cb 0.17 -1.38 0.68 0.00 -0.02 0.00 0.00 39.34 38.79 2dj0 n TYR 70 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 2dj0 n THR 71 N 0.41 0.00 -0.08 -0.72 -1.04 -1.22 0.18 114.28 111.81 2dj0 n THR 71 Ca 0.53 1.29 -0.10 0.00 -2.04 0.00 0.00 64.05 63.72 2dj0 n THR 71 Cb 0.31 -2.17 -0.03 0.00 -1.82 0.00 0.00 70.33 66.62 2dj0 n THR 71 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2dj0 h ASP 72 N 0.00 0.35 0.19 8.00 3.32 -1.89 -2.83 116.42 123.56 2dj0 h ASP 72 Ca 0.78 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.65 2dj0 h ASP 72 Cb 3.24 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 42.71 2dj0 h ASP 72 CO -0.01 0.42 -0.09 0.58 -1.72 0.00 0.00 179.24 178.42 2dj0 h VAL 73 N 0.26 0.00 -0.47 -1.35 2.07 0.15 -2.31 116.25 114.59 2dj0 h VAL 73 Ca 0.08 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.62 2dj0 h VAL 73 Cb 0.18 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.89 2dj0 h VAL 73 CO -0.01 0.00 -0.28 -1.54 0.02 0.00 0.00 177.57 175.76 2dj0 n SER 74 N -2.74 -0.50 -0.21 0.57 3.41 -1.17 0.77 113.62 113.74 2dj0 n SER 74 Ca -0.03 1.10 0.01 0.00 -0.26 0.00 0.00 58.87 59.68 2dj0 n SER 74 Cb 0.10 -0.24 0.09 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.41 -0.54 6.66 2.02 -1.57 0.62 112.91 120.50 2dj0 h THR 75 Ca 0.08 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 2dj0 h THR 75 Cb 0.19 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 2dj0 h THR 75 CO -0.45 0.01 0.29 -0.09 0.37 0.00 0.00 175.52 175.65 2dj0 h ARG 76 N 0.05 0.75 -0.70 6.66 2.43 0.95 -1.62 114.38 122.89 2dj0 h ARG 76 Ca 0.32 -0.08 -0.18 0.00 -0.81 0.00 0.00 59.98 59.24 2dj0 h ARG 76 Cb 0.51 -0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 29.80 2dj0 h ARG 76 CO -0.61 0.56 0.22 0.66 -1.51 0.00 0.00 179.97 179.28 2dj0 n TYR 77 N -4.39 2.37 -3.80 2.20 4.02 0.13 -4.93 117.16 112.75 2dj0 n TYR 77 Ca 0.05 -1.12 -0.27 0.00 -0.01 0.00 0.00 57.90 56.55 2dj0 n TYR 77 Cb 0.10 -0.65 -0.07 0.00 -0.02 0.00 0.00 39.34 38.70 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 -0.03 -0.88 -3.57 -0.72 5.02 0.18 -4.83 118.16 113.34 2dj0 n LYS 78 Ca 0.38 0.08 -0.39 0.00 -2.02 0.00 0.00 58.31 56.37 2dj0 n LYS 78 Cb 1.35 -3.03 -0.06 0.00 -0.02 0.00 0.00 35.03 33.28 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 -3.40 4.65 0.17 -0.18 1.01 0.06 -4.99 120.40 117.72 2dj0 s VAL 79 Ca 0.28 -3.39 -0.20 0.00 0.00 0.00 0.00 61.98 58.67 2dj0 s VAL 79 Cb -0.17 -3.89 -0.12 0.00 0.00 0.00 0.00 36.38 32.20 2dj0 s VAL 79 CO 0.75 -1.05 0.33 -1.20 0.00 0.00 0.00 175.10 173.93 2dj0 n SER 80 N 2.89 -1.13 -1.66 3.32 7.64 -1.26 -4.67 113.62 118.75 2dj0 n SER 80 Ca 0.18 0.80 -0.16 0.00 1.01 0.00 0.00 58.87 60.69 2dj0 n SER 80 Cb 0.39 -0.70 0.07 0.00 -1.01 0.00 0.00 64.21 62.96 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 -0.13 2.45 -3.43 0.44 -2.24 -1.26 -4.68 114.28 105.43 2dj0 n THR 81 Ca 0.12 -3.97 -0.36 0.00 -2.27 0.00 0.00 64.05 57.57 2dj0 n THR 81 Cb 0.20 -0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 67.46 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 -3.51 6.81 0.00 3.42 0.01 -1.26 -4.97 113.70 114.21 2dj0 s SER 82 Ca 0.48 1.01 0.14 0.00 1.31 0.00 0.00 55.95 58.89 2dj0 s SER 82 Cb 0.40 -2.26 0.61 0.00 0.21 0.00 0.00 66.02 64.97 2dj0 s SER 82 CO 0.01 0.19 1.45 -0.81 0.41 0.00 0.00 173.24 174.50 2dj0 n PRO 83 N 1.19 0.00 -0.12 12.44 -0.04 -1.26 -3.22 135.00 143.99 2dj0 n PRO 83 Ca -0.09 0.26 -0.26 0.00 -0.04 0.00 0.00 63.50 63.37 2dj0 n PRO 83 Cb 0.52 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.50 2.09 -4.23 1.53 4.77 -1.26 -4.99 117.00 113.41 2dj0 n LEU 84 Ca 0.03 0.30 -0.29 0.00 -0.03 0.00 0.00 56.01 56.03 2dj0 n LEU 84 Cb 0.17 -0.88 0.19 0.00 -2.33 0.00 0.00 43.42 40.56 2dj0 n LEU 84 CO 0.13 0.56 -0.26 1.07 -1.33 0.00 0.00 177.39 177.57 2dj0 n THR 85 N -4.14 0.00 -1.79 -5.08 5.66 -1.20 -4.94 114.28 102.79 2dj0 n THR 85 Ca -0.48 -0.23 -0.12 0.00 -3.05 0.00 0.00 64.05 60.17 2dj0 n THR 85 Cb 0.86 -0.65 0.11 0.00 -1.55 0.00 0.00 70.33 69.10 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 -2.62 2.68 -1.06 1.09 4.76 -1.26 -4.70 118.16 117.05 2dj0 n LYS 86 Ca 0.03 -3.73 -0.11 0.00 -2.87 0.00 0.00 58.31 51.63 2dj0 n LYS 86 Cb 0.56 -2.00 0.27 0.00 -1.84 0.00 0.00 35.03 32.01 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 -0.91 3.31 -3.66 1.97 6.02 -1.26 -4.70 117.38 118.16 2dj0 n GLN 87 Ca 0.35 -2.99 -0.06 0.00 -0.01 0.00 0.00 57.00 54.29 2dj0 n GLN 87 Cb 0.86 -2.19 -0.08 0.00 1.02 0.00 0.00 30.24 29.86 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 -2.99 -0.74 1.17 1.08 1.43 -1.26 -4.14 118.68 113.24 2dj0 s LEU 88 Ca 0.54 1.24 -0.18 0.00 -1.03 0.00 0.00 54.13 54.70 2dj0 s LEU 88 Cb 0.44 1.82 0.27 0.00 0.03 0.00 0.00 46.19 48.75 2dj0 s LEU 88 CO 0.13 -0.22 1.11 -2.16 0.23 0.00 0.00 176.35 175.43 2dj0 s PRO 89 N 2.28 -0.94 -0.14 1.29 0.04 -1.26 -4.85 135.00 131.42 2dj0 s PRO 89 Ca -0.06 0.03 -0.05 0.00 0.04 0.00 0.00 61.00 60.96 2dj0 s PRO 89 Cb -0.10 -1.62 0.07 0.00 0.04 0.00 0.00 34.50 32.89 2dj0 s PRO 89 CO -0.16 -3.54 0.29 0.99 0.04 0.00 0.00 177.00 174.62 2dj0 s THR 90 N -3.00 -0.46 -0.07 1.26 2.01 0.17 -4.67 115.64 110.88 2dj0 s THR 90 Ca 0.70 0.25 -0.10 0.00 0.31 0.00 0.00 61.69 62.85 2dj0 s THR 90 Cb -0.11 -0.49 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 2dj0 s THR 90 CO 0.56 0.10 0.26 -0.76 -0.69 0.00 0.00 174.62 174.09 2dj0 s LEU 91 N 2.46 4.43 -0.03 4.42 1.43 -0.69 0.14 118.68 130.83 2dj0 s LEU 91 Ca 0.01 0.69 0.01 0.00 -1.03 0.00 0.00 54.13 53.80 2dj0 s LEU 91 Cb -0.12 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.83 2dj0 s LEU 91 CO -0.09 0.37 -0.02 -0.63 0.23 0.00 0.00 176.35 176.21 2dj0 s ILE 92 N -1.05 0.31 -0.24 -0.59 1.01 -1.17 -1.25 121.20 118.22 2dj0 s ILE 92 Ca 0.19 -0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.73 2dj0 s ILE 92 Cb -0.14 -0.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.92 2dj0 s ILE 92 CO 0.08 0.16 0.14 -0.22 0.00 0.00 0.00 174.94 175.10 2dj0 s LEU 93 N 0.84 3.97 -0.22 2.97 2.96 -0.66 -3.38 118.68 125.16 2dj0 s LEU 93 Ca -0.09 0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.83 2dj0 s LEU 93 Cb -0.13 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 2dj0 s LEU 93 CO -0.01 0.05 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.66 2dj0 s PHE 94 N 1.13 2.95 -0.67 5.38 0.08 -1.09 -0.42 117.98 125.33 2dj0 s PHE 94 Ca 0.07 -0.96 0.05 0.00 0.12 0.00 0.00 56.93 56.20 2dj0 s PHE 94 Cb -0.14 -2.09 0.24 0.00 -0.57 0.00 0.00 43.02 40.46 2dj0 s PHE 94 CO 0.05 -0.55 0.73 1.04 -0.10 0.00 0.00 175.22 176.38 2dj0 n GLN 95 N 4.75 2.48 0.00 0.44 1.13 -0.99 -2.34 117.38 122.86 2dj0 n GLN 95 Ca -0.18 -4.64 0.00 0.00 -1.94 0.00 0.00 57.00 50.24 2dj0 n GLN 95 Cb 0.51 -2.28 0.00 0.00 0.11 0.00 0.00 30.24 28.58 2dj0 n GLN 95 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dj0 n GLY 96 N 1.10 1.71 1.50 1.08 0.00 -0.72 -4.40 105.19 105.46 2dj0 n GLY 96 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.03 1.76 3.88 -0.02 0.00 -1.26 -4.85 105.19 103.67 2dj0 n GLY 97 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.53 3.46 -0.93 1.61 3.01 -1.26 -5.01 119.74 120.09 2dj0 s LYS 98 Ca 0.00 -0.12 -0.24 0.00 -1.01 0.00 0.00 55.97 54.59 2dj0 s LYS 98 Cb 0.00 -3.20 -0.05 0.00 -1.01 0.00 0.00 37.83 33.58 2dj0 s LYS 98 CO 0.00 0.77 1.93 -2.00 0.51 0.00 0.00 175.35 176.55 2dj0 s GLU 99 N -1.00 2.60 0.25 1.68 2.12 -1.26 -2.34 118.70 120.75 2dj0 s GLU 99 Ca 0.15 -0.40 -0.04 0.00 0.36 0.00 0.00 54.97 55.04 2dj0 s GLU 99 Cb -0.12 -5.09 0.39 0.00 0.26 0.00 0.00 34.13 29.57 2dj0 s GLU 99 CO 0.04 -3.38 1.83 0.00 -0.54 0.00 0.00 175.26 173.22 2dj0 h ALA 100 N 11.09 1.23 -2.33 6.30 0.00 -1.10 -3.46 119.26 130.97 2dj0 h ALA 100 Ca 0.11 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.21 2dj0 h ALA 100 Cb 1.00 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 2dj0 h ALA 100 CO 1.22 0.21 0.54 0.00 0.00 0.00 0.00 179.25 181.21 2dj0 s MET 101 N -6.04 1.19 -0.27 0.00 0.00 -1.18 -5.00 119.30 107.99 2dj0 s MET 101 Ca -0.12 -0.69 -0.25 0.00 0.00 0.00 0.00 55.69 54.63 2dj0 s MET 101 Cb 0.19 0.38 0.08 0.00 0.00 0.00 0.00 34.83 35.48 2dj0 s MET 101 CO 0.79 -0.55 0.75 -0.98 0.00 0.00 0.00 175.02 175.03 2dj0 s ARG 102 N -2.89 0.80 0.02 3.16 1.04 -1.26 -1.65 118.95 118.16 2dj0 s ARG 102 Ca 0.15 0.97 0.04 0.00 -1.04 0.00 0.00 55.73 55.85 2dj0 s ARG 102 Cb -0.01 0.38 -0.02 0.00 -2.04 0.00 0.00 34.95 33.26 2dj0 s ARG 102 CO 0.03 -0.10 -0.11 1.03 -0.04 0.00 0.00 175.30 176.11 2dj0 s ARG 103 N 0.43 0.83 0.39 3.89 1.81 -0.38 -3.01 118.95 122.91 2dj0 s ARG 103 Ca -0.00 -0.56 -0.26 0.00 -1.72 0.00 0.00 55.73 53.19 2dj0 s ARG 103 Cb -0.05 -0.79 -0.09 0.00 -0.45 0.00 0.00 34.95 33.57 2dj0 s ARG 103 CO -0.01 0.20 1.19 -1.25 -0.68 0.00 0.00 175.30 174.76 2dj0 s PRO 104 N -0.75 4.07 0.30 3.54 0.04 -1.26 -1.70 135.00 139.22 2dj0 s PRO 104 Ca 0.01 1.90 -0.29 0.00 0.04 0.00 0.00 61.00 62.66 2dj0 s PRO 104 Cb -0.06 -2.72 -0.10 0.00 0.04 0.00 0.00 34.50 31.66 2dj0 s PRO 104 CO 0.00 -0.32 1.17 -1.14 0.04 0.00 0.00 177.00 176.75 2dj0 s GLN 105 N -2.24 4.55 -0.03 4.56 0.74 -1.16 -4.74 119.66 121.33 2dj0 s GLN 105 Ca 0.56 1.94 -0.16 0.00 0.05 0.00 0.00 55.36 57.75 2dj0 s GLN 105 Cb -0.32 -3.15 -0.05 0.00 1.10 0.00 0.00 33.01 30.58 2dj0 s GLN 105 CO 0.41 0.08 0.44 0.42 -0.55 0.00 0.00 175.29 176.09 2dj0 s ILE 106 N -1.14 5.05 0.53 -2.34 -1.09 -1.26 -1.91 121.20 119.03 2dj0 s ILE 106 Ca 0.46 0.91 -0.04 0.00 -2.23 0.00 0.00 60.65 59.75 2dj0 s ILE 106 Cb -0.34 -3.76 0.11 0.00 -1.58 0.00 0.00 42.46 36.88 2dj0 s ILE 106 CO 0.45 0.49 0.72 -0.67 -1.23 0.00 0.00 174.94 174.70 2dj0 n ASP 107 N 2.42 0.59 0.14 3.58 2.03 -0.32 -4.88 116.55 120.12 2dj0 n ASP 107 Ca -0.11 -1.59 0.06 0.00 0.52 0.00 0.00 54.79 53.67 2dj0 n ASP 107 Cb 0.52 -0.50 0.54 0.00 -0.72 0.00 0.00 41.12 40.95 2dj0 n ASP 107 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2dj0 h LYS 108 N 0.00 0.24 -1.31 -0.67 1.57 -1.98 -1.76 116.57 112.65 2dj0 h LYS 108 Ca -0.24 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.32 2dj0 h LYS 108 Cb 0.78 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.93 2dj0 h LYS 108 CO 0.22 0.17 0.26 1.63 -0.57 0.00 0.00 179.45 181.16 2dj0 n LYS 109 N -4.50 1.50 -4.12 3.15 4.76 -1.26 -4.84 118.16 112.85 2dj0 n LYS 109 Ca -0.00 -1.08 -0.33 0.00 -2.87 0.00 0.00 58.31 54.03 2dj0 n LYS 109 Cb 0.09 -1.42 -0.08 0.00 -1.84 0.00 0.00 35.03 31.78 2dj0 n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dj0 n GLY 110 N 0.28 -0.23 3.41 0.72 0.00 -0.66 -4.90 105.19 103.81 2dj0 n GLY 110 Ca 0.21 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 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 -6.62 1.88 -0.35 1.61 1.70 -1.26 -4.89 118.95 111.02 2dj0 s ARG 111 Ca 0.39 -1.08 -0.25 0.00 -0.47 0.00 0.00 55.73 54.32 2dj0 s ARG 111 Cb -0.23 -2.08 0.01 0.00 -0.57 0.00 0.00 34.95 32.08 2dj0 s ARG 111 CO 0.89 0.52 0.86 0.00 -1.08 0.00 0.00 175.30 176.48 2dj0 s ALA 112 N -0.92 3.45 0.06 7.88 0.00 -1.26 -1.18 121.76 129.79 2dj0 s ALA 112 Ca 0.14 -0.48 -0.31 0.00 0.00 0.00 0.00 51.96 51.31 2dj0 s ALA 112 Cb -0.10 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 2dj0 s ALA 112 CO 0.05 -1.47 1.73 0.08 0.00 0.00 0.00 175.76 176.15 2dj0 s VAL 113 N 3.25 3.00 -0.35 0.00 1.01 -0.80 -4.87 120.40 121.63 2dj0 s VAL 113 Ca 0.35 0.37 -0.28 0.00 0.00 0.00 0.00 61.98 62.41 2dj0 s VAL 113 Cb -0.13 -3.24 -0.07 0.00 0.00 0.00 0.00 36.38 32.95 2dj0 s VAL 113 CO 0.16 -0.01 2.30 -1.54 0.00 0.00 0.00 175.10 176.02 2dj0 n SER 114 N 6.04 2.71 -4.26 3.32 3.41 -1.26 -4.62 113.62 118.96 2dj0 n SER 114 Ca 0.17 -0.02 -0.29 0.00 -0.26 0.00 0.00 58.87 58.47 2dj0 n SER 114 Cb 0.40 -1.51 -0.16 0.00 -0.26 0.00 0.00 64.21 62.68 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 9.56 2.08 -0.05 7.33 -0.00 -1.26 -5.11 118.94 131.49 2dj0 s TRP 115 Ca 1.02 -0.40 -0.30 0.00 -0.00 0.00 0.00 56.10 56.42 2dj0 s TRP 115 Cb -0.37 -1.34 -0.04 0.00 -0.00 0.00 0.00 33.47 31.72 2dj0 s TRP 115 CO 0.34 -0.04 1.31 0.99 -0.00 0.00 0.00 176.95 179.55 2dj0 s THR 116 N -0.53 4.01 -1.09 5.86 2.01 -1.26 -4.96 115.64 119.68 2dj0 s THR 116 Ca 0.08 1.34 -0.16 0.00 0.31 0.00 0.00 61.69 63.27 2dj0 s THR 116 Cb -0.09 -3.87 0.15 0.00 0.01 0.00 0.00 72.50 68.71 2dj0 s THR 116 CO -0.01 -0.02 1.31 -0.36 -0.69 0.00 0.00 174.62 174.86 2dj0 s PHE 117 N 2.50 3.32 0.16 4.92 0.08 -1.26 -4.72 117.98 122.98 2dj0 s PHE 117 Ca 0.60 -1.81 0.03 0.00 0.12 0.00 0.00 56.93 55.87 2dj0 s PHE 117 Cb -0.27 -4.31 -0.05 0.00 -0.57 0.00 0.00 43.02 37.82 2dj0 s PHE 117 CO 0.23 -1.45 -0.03 -1.54 -0.10 0.00 0.00 175.22 172.33 2dj0 s SER 118 N 3.21 1.41 0.05 1.36 1.04 -1.26 -4.97 113.70 114.54 2dj0 s SER 118 Ca 0.39 -1.12 -0.26 0.00 0.48 0.00 0.00 55.95 55.44 2dj0 s SER 118 Cb -0.03 0.07 -0.14 0.00 0.10 0.00 0.00 66.02 66.02 2dj0 s SER 118 CO -0.04 -0.49 1.40 -0.08 0.98 0.00 0.00 173.24 175.01 2dj0 h GLU 119 N 2.73 -0.82 -0.11 4.02 4.81 -1.93 -0.14 114.58 123.15 2dj0 h GLU 119 Ca -0.37 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 2dj0 h GLU 119 Cb 1.20 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 2dj0 h GLU 119 CO 0.63 -0.54 -0.13 0.93 -0.73 0.00 0.00 179.01 179.17 2dj0 h GLU 120 N -0.85 -0.08 -0.74 1.92 3.07 -1.98 0.43 114.58 116.35 2dj0 h GLU 120 Ca -0.07 0.01 0.14 0.00 -0.50 0.00 0.00 59.36 58.93 2dj0 h GLU 120 Cb 0.69 0.02 -0.14 0.00 -0.84 0.00 0.00 28.75 28.48 2dj0 h GLU 120 CO 0.06 -0.05 -0.24 -0.91 -1.40 0.00 0.00 179.01 176.46 2dj0 h ASN 121 N -0.08 -0.88 -0.35 1.42 2.35 -1.89 0.19 115.58 116.34 2dj0 h ASN 121 Ca 0.02 0.23 0.08 0.00 -0.55 0.00 0.00 56.30 56.08 2dj0 h ASN 121 Cb 0.13 0.52 -0.08 0.00 0.05 0.00 0.00 38.32 38.94 2dj0 h ASN 121 CO -0.14 -0.27 -0.22 0.58 -1.65 0.00 0.00 177.43 175.73 2dj0 h VAL 122 N -0.04 0.40 0.03 2.81 2.07 -0.01 0.22 116.25 121.73 2dj0 h VAL 122 Ca 0.33 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.88 2dj0 h VAL 122 Cb 0.56 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 2dj0 h VAL 122 CO -0.78 0.00 -0.39 0.40 0.02 0.00 0.00 177.57 176.82 2dj0 h ILE 123 N -0.17 0.19 -0.56 4.57 2.04 0.11 0.17 117.51 123.86 2dj0 h ILE 123 Ca 0.17 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.09 2dj0 h ILE 123 Cb 0.44 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 2dj0 h ILE 123 CO -0.45 0.00 0.27 -0.09 0.00 0.00 0.00 178.15 177.88 2dj0 h ARG 124 N -0.57 0.50 0.13 2.37 2.43 -0.86 1.79 114.38 120.17 2dj0 h ARG 124 Ca 0.04 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2dj0 h ARG 124 Cb 0.64 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2dj0 h ARG 124 CO -0.28 0.33 -0.17 0.93 -1.51 0.00 0.00 179.97 179.27 2dj0 h GLU 125 N 0.51 -0.33 -0.60 0.20 4.39 0.06 -2.07 114.58 116.73 2dj0 h GLU 125 Ca 0.26 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.98 2dj0 h GLU 125 Cb 0.20 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2dj0 h GLU 125 CO -0.19 -0.22 0.00 1.19 -1.16 0.00 0.00 179.01 178.62 2dj0 n PHE 126 N -5.29 0.99 -3.53 4.33 3.72 0.53 -4.91 117.46 113.30 2dj0 n PHE 126 Ca -0.07 -0.39 -0.28 0.00 -0.05 0.00 0.00 57.45 56.65 2dj0 n PHE 126 Cb 0.21 -0.18 -0.05 0.00 -0.94 0.00 0.00 39.48 38.52 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 0.67 -1.27 -0.35 4.37 4.13 0.59 -4.71 115.26 118.70 2dj0 n ASN 127 Ca 0.17 -0.77 0.16 0.00 1.68 0.00 0.00 54.58 55.82 2dj0 n ASN 127 Cb 0.63 -1.12 0.36 0.00 -1.54 0.00 0.00 39.78 38.11 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 -0.56 0.71 -1.41 3.41 3.38 -1.40 0.35 115.31 119.79 2dj0 h LEU 128 Ca -0.39 0.12 0.12 0.00 0.09 0.00 0.00 57.88 57.83 2dj0 h LEU 128 Cb 0.98 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 2dj0 h LEU 128 CO 0.58 0.16 0.52 0.78 0.09 0.00 0.00 178.44 180.58 2dj0 h ASN 129 N 0.64 0.57 0.01 -0.43 4.21 -1.84 -2.54 115.58 116.21 2dj0 h ASN 129 Ca 0.62 0.02 -0.00 0.00 1.21 0.00 0.00 56.30 58.16 2dj0 h ASN 129 Cb 1.11 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 38.22 2dj0 h ASN 129 CO -0.44 0.32 -0.00 -0.33 -1.29 0.00 0.00 177.43 175.68 2dj0 h GLU 130 N 0.62 -0.01 -0.56 0.81 4.39 -0.64 -2.43 114.58 116.76 2dj0 h GLU 130 Ca 0.38 0.00 0.05 0.00 0.34 0.00 0.00 59.36 60.13 2dj0 h GLU 130 Cb 0.62 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.21 2dj0 h GLU 130 CO -0.15 0.43 -0.33 1.28 -1.16 0.00 0.00 179.01 179.09 2dj0 n LEU 131 N -4.72 -0.59 0.02 1.33 4.77 -0.52 -1.17 117.00 116.12 2dj0 n LEU 131 Ca -0.05 1.31 -0.13 0.00 -0.03 0.00 0.00 56.01 57.12 2dj0 n LEU 131 Cb 0.22 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 40.94 2dj0 n LEU 131 CO 0.16 -0.97 0.75 0.77 -1.33 0.00 0.00 177.39 176.77 2dj0 h SER 132 N 0.00 -0.02 -4.42 -1.43 4.64 -1.64 -3.50 113.55 107.18 2dj0 h SER 132 Ca 0.09 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2dj0 h SER 132 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2dj0 h SER 132 CO -0.52 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.27 2dj0 n GLY 133 N -0.46 3.29 0.00 -0.77 0.00 -0.32 -4.84 105.19 102.08 2dj0 n GLY 133 Ca -0.08 -1.84 0.07 0.00 0.00 0.00 0.00 46.02 44.18 2dj0 n GLY 133 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dj0 n PRO 134 N -1.58 0.22 -1.76 1.61 -0.04 -1.25 -4.70 135.00 127.50 2dj0 n PRO 134 Ca 0.00 0.14 -0.42 0.00 -0.04 0.00 0.00 63.50 63.18 2dj0 n PRO 134 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2dj0 n PRO 134 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dj0 s SER 135 N -2.55 6.44 0.28 3.54 0.15 -1.26 -4.91 113.70 115.39 2dj0 s SER 135 Ca 0.14 2.77 -0.30 0.00 0.70 0.00 0.00 55.95 59.26 2dj0 s SER 135 Cb 0.10 -2.58 -0.13 0.00 -1.71 0.00 0.00 66.02 61.70 2dj0 s SER 135 CO 0.22 -0.96 1.37 -1.20 1.20 0.00 0.00 173.24 173.87 2dj0 n SER 136 N 4.83 2.83 0.00 5.45 7.64 -1.26 -5.14 113.62 127.98 2dj0 n SER 136 Ca 0.16 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.21 2dj0 n SER 136 Cb 0.37 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 2dj0 n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64