#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj0 h SER 2 N 0.00 0.62 0.00 1.61 0.02 -2.08 -3.44 113.55 110.28 2dj0 h SER 2 Ca 0.00 -0.32 -0.69 0.00 -0.84 0.00 0.00 61.79 59.94 2dj0 h SER 2 Cb 0.00 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 2dj0 h SER 2 CO 0.00 0.79 1.18 -1.54 -1.14 0.00 0.00 176.83 176.12 2dj0 n SER 3 N -4.49 0.67 0.00 3.07 3.41 -1.26 -4.83 113.62 110.19 2dj0 n SER 3 Ca -0.02 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 2dj0 n SER 3 Cb 0.29 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 2dj0 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dj0 n GLY 4 N 6.73 -2.71 3.57 5.00 0.00 -1.26 -4.64 105.19 111.88 2dj0 n GLY 4 Ca 0.49 0.21 -0.48 0.00 0.00 0.00 0.00 46.02 46.24 2dj0 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dj0 n SER 5 N -2.28 1.17 -0.11 1.61 3.41 -1.26 -4.92 113.62 111.24 2dj0 n SER 5 Ca 0.00 1.15 -0.20 0.00 -0.26 0.00 0.00 58.87 59.56 2dj0 n SER 5 Cb 0.00 -1.21 -0.07 0.00 -0.26 0.00 0.00 64.21 62.67 2dj0 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dj0 n SER 6 N 1.84 1.90 -4.66 4.04 7.64 -1.26 -4.95 113.62 118.17 2dj0 n SER 6 Ca 0.14 0.33 -0.62 0.00 1.01 0.00 0.00 58.87 59.72 2dj0 n SER 6 Cb 0.26 -0.76 -0.09 0.00 -1.01 0.00 0.00 64.21 62.61 2dj0 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dj0 n GLY 7 N 1.41 0.40 2.99 0.23 0.00 -1.26 -4.92 105.19 104.04 2dj0 n GLY 7 Ca -0.35 0.99 -0.30 0.00 0.00 0.00 0.00 46.02 46.36 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 3.84 2.39 -0.15 1.61 1.13 -1.26 -5.10 117.35 119.82 2dj0 s TYR 8 Ca 1.05 -1.57 -0.03 0.00 -1.41 0.00 0.00 57.07 55.11 2dj0 s TYR 8 Cb -1.31 -1.63 -0.03 0.00 -1.10 0.00 0.00 41.96 37.89 2dj0 s TYR 8 CO 0.72 -0.74 -0.05 0.42 -2.51 0.00 0.00 175.55 173.39 2dj0 s ILE 9 N 1.40 3.74 -0.36 -3.49 1.01 -1.26 -4.92 121.20 117.33 2dj0 s ILE 9 Ca -0.01 -0.41 -0.24 0.00 0.00 0.00 0.00 60.65 59.99 2dj0 s ILE 9 Cb -0.16 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.69 2dj0 s ILE 9 CO -0.08 0.50 0.82 -0.75 0.00 0.00 0.00 174.94 175.42 2dj0 s LYS 10 N 0.35 3.79 0.82 2.79 2.20 -1.14 -4.93 119.74 123.63 2dj0 s LYS 10 Ca -0.05 0.40 -0.12 0.00 -0.36 0.00 0.00 55.97 55.84 2dj0 s LYS 10 Cb -0.14 -3.80 0.08 0.00 -1.51 0.00 0.00 37.83 32.46 2dj0 s LYS 10 CO 0.03 -0.85 1.11 0.71 -0.36 0.00 0.00 175.35 175.99 2dj0 s TYR 11 N 3.17 2.77 -0.05 4.03 2.02 -1.26 -3.00 117.35 125.03 2dj0 s TYR 11 Ca 0.33 1.07 -0.15 0.00 -0.37 0.00 0.00 57.07 57.95 2dj0 s TYR 11 Cb -0.13 -3.19 0.03 0.00 -0.40 0.00 0.00 41.96 38.27 2dj0 s TYR 11 CO 0.17 -1.89 0.35 -0.06 -1.57 0.00 0.00 175.55 172.54 2dj0 s PHE 12 N -3.20 -0.26 0.22 2.71 0.08 -1.24 -4.88 117.98 111.41 2dj0 s PHE 12 Ca 0.61 0.49 0.04 0.00 0.12 0.00 0.00 56.93 58.19 2dj0 s PHE 12 Cb -0.14 0.12 -0.03 0.00 -0.57 0.00 0.00 43.02 42.40 2dj0 s PHE 12 CO 0.54 -0.36 0.35 -0.80 -0.10 0.00 0.00 175.22 174.85 2dj0 s ASN 13 N -0.96 6.32 0.25 1.36 0.01 -1.26 -4.76 114.94 115.91 2dj0 s ASN 13 Ca -0.10 0.11 0.14 0.00 -0.71 0.00 0.00 52.86 52.29 2dj0 s ASN 13 Cb -0.04 -1.88 0.74 0.00 0.41 0.00 0.00 41.25 40.48 2dj0 s ASN 13 CO 0.04 -0.05 1.36 -0.90 -1.51 0.00 0.00 177.10 176.03 2dj0 n ASP 14 N -1.23 0.35 -0.07 -1.22 5.68 -1.26 0.20 116.55 119.01 2dj0 n ASP 14 Ca -0.08 0.61 -0.08 0.00 -0.50 0.00 0.00 54.79 54.74 2dj0 n ASP 14 Cb 0.56 -0.62 -0.03 0.00 -1.14 0.00 0.00 41.12 39.90 2dj0 n ASP 14 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2dj0 n LYS 15 N -1.99 0.45 -0.27 0.11 0.00 -1.26 -4.60 118.16 110.60 2dj0 n LYS 15 Ca -0.01 0.18 0.02 0.00 0.00 0.00 0.00 58.31 58.51 2dj0 n LYS 15 Cb 0.15 -1.29 0.24 0.00 0.00 0.00 0.00 35.03 34.13 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 -0.86 1.13 -1.26 3.15 1.35 -1.90 -2.05 112.91 112.46 2dj0 h THR 16 Ca 0.00 -0.35 0.37 0.00 -0.55 0.00 0.00 66.41 65.87 2dj0 h THR 16 Cb 0.86 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.23 2dj0 h THR 16 CO 0.00 0.19 1.24 -0.29 -0.25 0.00 0.00 175.52 176.41 2dj0 h ILE 17 N 1.03 0.02 0.00 6.82 2.10 -0.50 0.88 117.51 127.86 2dj0 h ILE 17 Ca 0.34 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.28 2dj0 h ILE 17 Cb 0.06 0.04 0.00 0.00 -1.09 0.00 0.00 36.82 35.82 2dj0 h ILE 17 CO -0.10 0.00 -0.33 0.44 -1.08 0.00 0.00 178.15 177.07 2dj0 h ASP 18 N 0.00 0.00 -0.91 2.19 3.32 -1.60 -3.26 116.42 116.16 2dj0 h ASP 18 Ca 0.60 0.00 0.26 0.00 0.02 0.00 0.00 57.03 57.91 2dj0 h ASP 18 Cb 3.08 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 42.47 2dj0 h ASP 18 CO -0.01 0.54 0.23 1.05 -1.72 0.00 0.00 179.24 179.33 2dj0 h GLU 19 N -0.74 0.15 0.73 3.56 4.11 -1.16 0.11 114.58 121.33 2dj0 h GLU 19 Ca 0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 2dj0 h GLU 19 Cb 0.33 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.56 2dj0 h GLU 19 CO 0.00 0.10 -0.35 1.49 0.07 0.00 0.00 179.01 180.31 2dj0 h GLU 20 N 0.15 -0.95 0.00 1.06 4.57 -1.10 -1.26 114.58 117.06 2dj0 h GLU 20 Ca 0.59 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.84 2dj0 h GLU 20 Cb 1.25 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 30.06 2dj0 h GLU 20 CO -0.72 -0.63 0.00 1.28 -1.18 0.00 0.00 179.01 177.76 2dj0 n LEU 21 N -5.51 0.56 0.05 1.64 4.77 -0.17 -0.73 117.00 117.61 2dj0 n LEU 21 Ca -0.14 0.76 -0.16 0.00 -0.03 0.00 0.00 56.01 56.45 2dj0 n LEU 21 Cb 0.40 -0.83 -0.14 0.00 -2.33 0.00 0.00 43.42 40.51 2dj0 n LEU 21 CO 0.38 -0.95 -0.36 -0.08 -1.33 0.00 0.00 177.39 175.05 2dj0 h GLU 22 N 0.00 0.21 -0.00 3.23 4.81 -0.02 -2.78 114.58 120.03 2dj0 h GLU 22 Ca 0.00 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 2dj0 h GLU 22 Cb 0.00 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2dj0 h GLU 22 CO 0.00 1.04 -0.55 2.89 -0.73 0.00 0.00 179.01 181.67 2dj0 n ARG 23 N -3.40 0.03 -0.16 1.92 1.85 -0.26 -3.83 116.66 112.80 2dj0 n ARG 23 Ca -0.17 -0.02 0.06 0.00 -1.00 0.00 0.00 57.85 56.73 2dj0 n ARG 23 Cb 1.04 -1.50 0.14 0.00 -1.05 0.00 0.00 32.46 31.08 2dj0 n ARG 23 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2dj0 n ASP 24 N -1.47 2.74 0.00 2.89 8.00 0.09 -4.85 116.55 123.95 2dj0 n ASP 24 Ca 0.06 -2.60 0.00 0.00 0.71 0.00 0.00 54.79 52.96 2dj0 n ASP 24 Cb 0.34 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2dj0 n ASP 24 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2dj0 n LYS 25 N -0.62 0.00 -0.28 -1.24 5.02 -1.05 0.32 118.16 120.32 2dj0 n LYS 25 Ca 0.12 0.71 0.20 0.00 -2.02 0.00 0.00 58.31 57.33 2dj0 n LYS 25 Cb 0.56 -1.16 0.38 0.00 -0.02 0.00 0.00 35.03 34.80 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 -2.13 -0.06 -2.80 1.97 1.85 -1.26 -3.10 116.66 111.13 2dj0 n ARG 26 Ca 0.00 1.23 -0.41 0.00 -1.00 0.00 0.00 57.85 57.68 2dj0 n ARG 26 Cb 0.00 -2.08 -0.05 0.00 -1.05 0.00 0.00 32.46 29.28 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 -5.55 4.48 0.36 8.89 1.01 0.15 -4.86 120.40 124.88 2dj0 s VAL 27 Ca -0.09 1.97 -0.25 0.00 0.00 0.00 0.00 61.98 63.60 2dj0 s VAL 27 Cb 0.27 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 2dj0 s VAL 27 CO 0.67 0.37 1.03 -0.89 0.00 0.00 0.00 175.10 176.28 2dj0 s THR 28 N -0.25 3.79 -0.01 3.92 2.01 -1.26 -4.57 115.64 119.27 2dj0 s THR 28 Ca 0.44 1.46 0.01 0.00 0.31 0.00 0.00 61.69 63.91 2dj0 s THR 28 Cb -0.23 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.49 2dj0 s THR 28 CO 0.29 0.09 -0.04 0.26 -0.69 0.00 0.00 174.62 174.53 2dj0 s TRP 29 N -1.57 0.45 -0.28 4.92 0.52 -0.87 -4.01 118.94 118.10 2dj0 s TRP 29 Ca 0.54 -0.08 0.03 0.00 0.02 0.00 0.00 56.10 56.60 2dj0 s TRP 29 Cb -0.23 -0.34 0.07 0.00 -1.15 0.00 0.00 33.47 31.83 2dj0 s TRP 29 CO 0.29 -0.04 -0.05 -1.50 0.02 0.00 0.00 176.95 175.66 2dj0 s ILE 30 N 0.16 2.01 -0.12 2.03 2.07 -1.23 -1.27 121.20 124.86 2dj0 s ILE 30 Ca -0.01 -1.71 -0.07 0.00 -1.41 0.00 0.00 60.65 57.45 2dj0 s ILE 30 Cb -0.05 -2.25 -0.04 0.00 0.13 0.00 0.00 42.46 40.25 2dj0 s ILE 30 CO -0.00 -0.20 0.13 -0.69 -1.91 0.00 0.00 174.94 172.27 2dj0 s VAL 31 N 1.14 5.43 -0.24 4.00 1.01 -1.18 -1.76 120.40 128.79 2dj0 s VAL 31 Ca -0.03 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 2dj0 s VAL 31 Cb -0.19 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2dj0 s VAL 31 CO -0.07 0.61 0.07 -0.70 0.00 0.00 0.00 175.10 175.01 2dj0 s GLU 32 N -1.04 3.67 -0.40 2.72 2.12 -0.83 -3.07 118.70 121.87 2dj0 s GLU 32 Ca 0.15 -0.47 -0.20 0.00 0.36 0.00 0.00 54.97 54.81 2dj0 s GLU 32 Cb -0.12 -3.32 0.01 0.00 0.26 0.00 0.00 34.13 30.97 2dj0 s GLU 32 CO 0.04 -0.16 0.60 -0.06 -0.54 0.00 0.00 175.26 175.14 2dj0 s PHE 33 N 1.54 3.11 0.25 5.30 0.40 0.68 -2.11 117.98 127.15 2dj0 s PHE 33 Ca 0.06 0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.46 2dj0 s PHE 33 Cb -0.15 -3.19 -0.05 0.00 0.51 0.00 0.00 43.02 40.14 2dj0 s PHE 33 CO 0.04 -0.74 0.08 -0.59 0.70 0.00 0.00 175.22 174.71 2dj0 s PHE 34 N 2.67 1.52 0.42 0.36 -0.71 -1.11 -0.67 117.98 120.46 2dj0 s PHE 34 Ca 0.21 -1.15 0.04 0.00 -1.04 0.00 0.00 56.93 55.00 2dj0 s PHE 34 Cb -0.15 -0.89 -0.05 0.00 -1.21 0.00 0.00 43.02 40.72 2dj0 s PHE 34 CO 0.17 -0.30 0.03 0.00 -1.34 0.00 0.00 175.22 173.77 2dj0 s ALA 35 N -3.72 3.28 -0.34 1.99 0.00 -1.26 0.02 121.76 121.73 2dj0 s ALA 35 Ca 0.36 -1.59 0.23 0.00 0.00 0.00 0.00 51.96 50.95 2dj0 s ALA 35 Cb 0.08 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.47 2dj0 s ALA 35 CO 0.13 -0.15 0.99 0.09 0.00 0.00 0.00 175.76 176.82 2dj0 n ASN 36 N -1.04 0.66 -0.77 0.00 3.02 -1.26 -3.93 115.26 111.94 2dj0 n ASN 36 Ca -0.09 0.14 0.08 0.00 -0.03 0.00 0.00 54.58 54.68 2dj0 n ASN 36 Cb 0.67 0.71 0.14 0.00 -0.61 0.00 0.00 39.78 40.69 2dj0 n ASN 36 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 2dj0 n TRP 37 N -2.39 0.32 -3.21 3.10 4.27 -1.26 -4.77 117.44 113.49 2dj0 n TRP 37 Ca 0.00 -0.24 -0.45 0.00 -3.89 0.00 0.00 57.50 52.93 2dj0 n TRP 37 Cb 0.51 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.46 2dj0 n TRP 37 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 2dj0 n SER 38 N 0.93 5.56 -0.36 -0.67 3.41 -1.25 -4.86 113.62 116.38 2dj0 n SER 38 Ca 0.13 -3.07 0.26 0.00 -0.26 0.00 0.00 58.87 55.93 2dj0 n SER 38 Cb 0.45 -1.41 0.52 0.00 -0.26 0.00 0.00 64.21 63.52 2dj0 n SER 38 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2dj0 h ASN 39 N 6.57 0.44 -1.71 4.04 2.35 -1.89 0.23 115.58 125.61 2dj0 h ASN 39 Ca 0.21 0.13 0.51 0.00 -0.55 0.00 0.00 56.30 56.60 2dj0 h ASN 39 Cb 0.84 0.07 -0.09 0.00 0.05 0.00 0.00 38.32 39.19 2dj0 h ASN 39 CO 1.11 -0.03 1.21 -2.24 -1.65 0.00 0.00 177.43 175.83 2dj0 h ASP 40 N 0.32 0.05 -0.66 5.81 3.04 -1.91 0.96 116.42 124.03 2dj0 h ASP 40 Ca 0.69 0.03 -0.00 0.00 -3.24 0.00 0.00 57.03 54.51 2dj0 h ASP 40 Cb 1.77 0.03 -0.03 0.00 -1.04 0.00 0.00 39.33 40.06 2dj0 h ASP 40 CO -0.41 -0.04 0.41 0.00 -2.04 0.00 0.00 179.24 177.16 2dj0 h GLN 42 N 0.90 0.00 -0.11 0.00 3.07 0.79 0.90 115.11 120.67 2dj0 h GLN 42 Ca 0.24 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.81 2dj0 h GLN 42 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.50 2dj0 h GLN 42 CO -0.05 0.00 -0.65 1.03 0.09 0.00 0.00 178.83 179.25 2dj0 h SER 43 N 0.00 0.48 -0.02 0.06 0.87 -1.43 -3.04 113.55 110.47 2dj0 h SER 43 Ca 0.34 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2dj0 h SER 43 Cb 1.88 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.70 2dj0 h SER 43 CO -0.00 1.00 -0.00 0.33 -0.53 0.00 0.00 176.83 177.62 2dj0 n PHE 44 N -3.88 0.00 0.04 2.24 7.35 0.29 -4.43 117.46 119.06 2dj0 n PHE 44 Ca -0.04 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.55 2dj0 n PHE 44 Cb 0.66 -0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.42 2dj0 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dj0 h ALA 45 N 4.58 -0.80 -0.39 3.13 0.00 -0.74 0.16 119.26 125.19 2dj0 h ALA 45 Ca 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 2dj0 h ALA 45 Cb 0.83 0.81 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2dj0 h ALA 45 CO 0.00 -0.91 -0.38 -1.00 0.00 0.00 0.00 179.25 176.96 2dj0 h PRO 46 N -0.45 0.94 -0.14 0.00 0.13 -1.79 -2.75 132.00 127.94 2dj0 h PRO 46 Ca 0.01 -0.50 0.04 0.00 -0.87 0.00 0.00 66.00 64.68 2dj0 h PRO 46 Cb 0.49 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 2dj0 h PRO 46 CO -0.24 1.15 0.11 0.82 -0.23 0.00 0.00 178.00 179.60 2dj0 h ILE 47 N 0.76 0.82 0.14 -3.56 2.04 -1.73 -0.49 117.51 115.49 2dj0 h ILE 47 Ca 0.06 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.62 2dj0 h ILE 47 Cb 0.98 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2dj0 h ILE 47 CO 0.09 0.00 -1.40 0.22 0.00 0.00 0.00 178.15 177.06 2dj0 h TYR 48 N 0.00 0.55 -0.39 1.37 3.20 -0.55 -3.06 116.97 118.08 2dj0 h TYR 48 Ca 0.06 -0.40 -0.10 0.00 3.14 0.00 0.00 58.73 61.44 2dj0 h TYR 48 Cb 0.28 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 2dj0 h TYR 48 CO 0.00 1.37 -0.13 0.00 -1.64 0.00 0.00 178.16 177.76 2dj0 h ALA 49 N 0.48 0.55 0.06 1.82 0.00 -1.00 -2.08 119.26 119.08 2dj0 h ALA 49 Ca -0.20 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 2dj0 h ALA 49 Cb 2.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2dj0 h ALA 49 CO 0.20 0.44 -0.03 -0.44 0.00 0.00 0.00 179.25 179.42 2dj0 h ASP 50 N 0.59 -0.07 -0.19 0.00 3.32 -1.25 -2.29 116.42 116.54 2dj0 h ASP 50 Ca 0.10 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 57.02 2dj0 h ASP 50 Cb 0.66 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 2dj0 h ASP 50 CO 0.05 0.12 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.56 2dj0 h LEU 51 N -0.26 -0.21 0.17 1.55 3.38 -1.55 -2.89 115.31 115.51 2dj0 h LEU 51 Ca -0.01 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2dj0 h LEU 51 Cb 0.23 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2dj0 h LEU 51 CO 0.01 -0.08 -0.49 0.77 0.09 0.00 0.00 178.44 178.75 2dj0 h SER 52 N -0.02 -1.44 -1.49 -0.43 4.64 -1.33 -0.35 113.55 113.13 2dj0 h SER 52 Ca 0.09 0.15 0.46 0.00 -0.47 0.00 0.00 61.79 62.02 2dj0 h SER 52 Cb 0.16 0.53 -0.10 0.00 -0.31 0.00 0.00 62.40 62.67 2dj0 h SER 52 CO -0.20 -0.55 1.02 -0.07 -0.87 0.00 0.00 176.83 176.15 2dj0 h LEU 53 N -0.76 0.15 0.17 5.97 3.38 -1.23 1.93 115.31 124.93 2dj0 h LEU 53 Ca -0.00 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2dj0 h LEU 53 Cb 0.75 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2dj0 h LEU 53 CO -0.24 -0.10 -0.08 0.50 0.09 0.00 0.00 178.44 178.60 2dj0 h LYS 54 N 0.06 -0.22 -0.14 1.13 3.64 -0.90 -3.22 116.57 116.92 2dj0 h LYS 54 Ca 0.82 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 60.22 2dj0 h LYS 54 Cb 2.87 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 34.74 2dj0 h LYS 54 CO -0.25 0.19 0.00 0.66 -2.27 0.00 0.00 179.45 177.78 2dj0 n TYR 55 N -4.93 0.19 -2.40 1.91 4.01 0.67 -4.74 117.16 111.87 2dj0 n TYR 55 Ca -0.07 -0.09 -0.37 0.00 -0.16 0.00 0.00 57.90 57.20 2dj0 n TYR 55 Cb 0.26 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.25 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 -1.12 6.04 0.35 7.72 0.02 0.62 -4.36 114.94 124.22 2dj0 s ASN 56 Ca 0.15 -1.00 -0.05 0.00 -1.02 0.00 0.00 52.86 50.94 2dj0 s ASN 56 Cb 0.08 -2.56 0.01 0.00 0.02 0.00 0.00 41.25 38.80 2dj0 s ASN 56 CO 0.11 -1.91 0.54 0.00 0.02 0.00 0.00 177.10 175.86 2dj0 n THR 58 N -0.56 1.04 0.00 0.00 5.66 -1.26 -3.98 114.28 115.17 2dj0 n THR 58 Ca -0.01 0.44 0.00 0.00 -3.05 0.00 0.00 64.05 61.43 2dj0 n THR 58 Cb 0.61 -1.38 0.00 0.00 -1.55 0.00 0.00 70.33 68.01 2dj0 n THR 58 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dj0 n GLY 59 N -0.61 0.81 3.68 1.09 0.00 -1.26 -4.92 105.19 103.98 2dj0 n GLY 59 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.41 4.19 0.28 0.99 2.96 -1.26 -4.68 118.68 119.75 2dj0 s LEU 60 Ca 0.00 0.86 0.09 0.00 -0.22 0.00 0.00 54.13 54.86 2dj0 s LEU 60 Cb 0.00 -2.85 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 2dj0 s LEU 60 CO 0.00 -0.18 0.04 0.20 -1.32 0.00 0.00 176.35 175.09 2dj0 s ASN 61 N 1.02 4.69 0.08 3.68 0.01 -1.26 -3.19 114.94 119.98 2dj0 s ASN 61 Ca 0.29 -0.61 0.09 0.00 -0.71 0.00 0.00 52.86 51.91 2dj0 s ASN 61 Cb -0.16 -0.90 -0.04 0.00 0.41 0.00 0.00 41.25 40.57 2dj0 s ASN 61 CO 0.11 -0.05 -0.22 -0.36 -1.51 0.00 0.00 177.10 175.07 2dj0 s PHE 62 N -2.32 2.44 0.15 2.20 0.40 -1.26 -3.47 117.98 116.12 2dj0 s PHE 62 Ca 0.33 -0.33 -0.01 0.00 -0.60 0.00 0.00 56.93 56.32 2dj0 s PHE 62 Cb -0.06 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.06 2dj0 s PHE 62 CO 0.21 0.27 0.07 0.20 0.70 0.00 0.00 175.22 176.67 2dj0 s GLY 63 N -1.70 1.12 -0.17 4.36 0.00 -0.72 -2.88 107.32 107.32 2dj0 s GLY 63 Ca 0.15 -1.54 -0.09 0.00 0.00 0.00 0.00 44.72 43.24 2dj0 s GLY 63 CO 0.06 -1.39 0.41 1.25 0.00 0.00 0.00 173.10 173.42 2dj0 s LYS 64 N -4.06 0.38 -0.01 2.90 2.20 -1.16 -1.96 119.74 118.03 2dj0 s LYS 64 Ca 0.27 0.81 0.03 0.00 -0.36 0.00 0.00 55.97 56.73 2dj0 s LYS 64 Cb 0.07 0.01 -0.01 0.00 -1.51 0.00 0.00 37.83 36.40 2dj0 s LYS 64 CO 0.04 -0.17 -0.12 0.54 -0.36 0.00 0.00 175.35 175.29 2dj0 s VAL 65 N 1.54 0.94 -0.50 4.02 0.11 -0.90 -3.72 120.40 121.89 2dj0 s VAL 65 Ca -0.09 -0.50 -0.24 0.00 -2.93 0.00 0.00 61.98 58.23 2dj0 s VAL 65 Cb -0.09 -0.80 0.03 0.00 -1.53 0.00 0.00 36.38 34.00 2dj0 s VAL 65 CO -0.13 0.27 0.89 1.51 -3.33 0.00 0.00 175.10 174.31 2dj0 s ASP 66 N -0.18 6.40 0.11 3.54 -4.77 -1.26 -2.75 116.67 117.76 2dj0 s ASP 66 Ca 0.03 -0.16 0.23 0.00 -3.30 0.00 0.00 52.55 49.34 2dj0 s ASP 66 Cb -0.06 -2.42 0.06 0.00 -1.09 0.00 0.00 42.92 39.41 2dj0 s ASP 66 CO -0.00 -1.09 1.04 1.33 0.70 0.00 0.00 175.17 177.16 2dj0 n VAL 67 N 6.24 0.34 0.27 2.11 0.24 0.10 -3.18 118.33 124.46 2dj0 n VAL 67 Ca 0.03 -0.38 0.14 0.00 -2.04 0.00 0.00 64.34 62.09 2dj0 n VAL 67 Cb 0.48 -0.06 0.77 0.00 -1.47 0.00 0.00 33.84 33.55 2dj0 n VAL 67 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2dj0 h GLY 68 N 4.30 0.00 0.00 7.63 0.00 -1.87 -3.21 103.07 109.92 2dj0 h GLY 68 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 2dj0 h GLY 68 CO 0.00 0.00 -1.94 -2.13 0.00 0.00 0.00 176.54 172.47 2dj0 n ARG 69 N -3.60 0.58 -2.80 4.80 0.63 -1.26 -4.81 116.66 110.20 2dj0 n ARG 69 Ca -0.02 0.08 -0.43 0.00 -0.92 0.00 0.00 57.85 56.57 2dj0 n ARG 69 Cb 0.22 -1.33 -0.02 0.00 0.45 0.00 0.00 32.46 31.78 2dj0 n ARG 69 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2dj0 s TYR 70 N -2.33 3.01 0.51 -0.14 1.51 -1.19 -4.83 117.35 113.89 2dj0 s TYR 70 Ca -0.21 -1.44 0.20 0.00 -1.01 0.00 0.00 57.07 54.61 2dj0 s TYR 70 Cb 0.06 -4.45 1.27 0.00 -0.11 0.00 0.00 41.96 38.73 2dj0 s TYR 70 CO 0.40 -1.62 2.05 0.00 -1.11 0.00 0.00 175.55 175.27 2dj0 h THR 71 N 5.80 0.86 0.61 -0.71 1.03 -1.88 -2.56 112.91 116.05 2dj0 h THR 71 Ca 0.24 -0.03 -0.02 0.00 -0.01 0.00 0.00 66.41 66.58 2dj0 h THR 71 Cb 0.97 0.77 -0.01 0.00 -1.07 0.00 0.00 68.15 68.81 2dj0 h THR 71 CO 1.26 0.02 -0.39 -2.24 -0.01 0.00 0.00 175.52 174.15 2dj0 h ASP 72 N 0.09 -1.00 0.07 0.00 3.04 -1.91 -2.41 116.42 114.31 2dj0 h ASP 72 Ca 0.17 0.06 0.01 0.00 -3.24 0.00 0.00 57.03 54.02 2dj0 h ASP 72 Cb 0.56 0.30 -0.02 0.00 -1.04 0.00 0.00 39.33 39.12 2dj0 h ASP 72 CO -0.02 -0.60 -0.27 0.58 -2.04 0.00 0.00 179.24 176.90 2dj0 h VAL 73 N -0.95 0.00 -0.55 4.15 2.07 -1.83 -0.03 116.25 119.12 2dj0 h VAL 73 Ca -0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.50 2dj0 h VAL 73 Cb 0.78 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 2dj0 h VAL 73 CO 0.06 0.00 -0.32 -1.54 0.02 0.00 0.00 177.57 175.79 2dj0 n SER 74 N -3.96 -0.58 -0.34 0.57 3.41 -1.16 0.98 113.62 112.53 2dj0 n SER 74 Ca -0.04 1.31 0.12 0.00 -0.26 0.00 0.00 58.87 60.00 2dj0 n SER 74 Cb 0.21 -0.29 0.32 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.75 -0.40 6.66 2.02 -1.27 0.27 112.91 120.94 2dj0 h THR 75 Ca 0.09 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 2dj0 h THR 75 Cb 0.22 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 2dj0 h THR 75 CO -0.51 0.14 0.21 -0.09 0.37 0.00 0.00 175.52 175.64 2dj0 h ARG 76 N 0.78 0.56 -0.66 6.66 2.43 0.26 -2.17 114.38 122.24 2dj0 h ARG 76 Ca 0.55 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 2dj0 h ARG 76 Cb 0.83 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2dj0 h ARG 76 CO -0.34 0.47 0.00 0.66 -1.51 0.00 0.00 179.97 179.25 2dj0 n TYR 77 N -4.72 1.14 -4.07 2.20 4.02 0.58 -4.92 117.16 111.39 2dj0 n TYR 77 Ca 0.00 -0.42 -0.34 0.00 -0.01 0.00 0.00 57.90 57.13 2dj0 n TYR 77 Cb 0.09 -0.26 -0.03 0.00 -0.02 0.00 0.00 39.34 39.12 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 0.54 -1.38 -3.99 -0.72 4.01 0.75 -4.93 118.16 112.44 2dj0 n LYS 78 Ca 0.17 0.22 -0.33 0.00 -0.51 0.00 0.00 58.31 57.86 2dj0 n LYS 78 Cb 0.73 -3.60 -0.14 0.00 -0.51 0.00 0.00 35.03 31.51 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 -3.91 2.51 0.17 -0.18 1.01 -0.06 -5.00 120.40 114.95 2dj0 s VAL 79 Ca 0.21 -1.83 -0.34 0.00 0.00 0.00 0.00 61.98 60.03 2dj0 s VAL 79 Cb -0.10 -2.60 -0.14 0.00 0.00 0.00 0.00 36.38 33.54 2dj0 s VAL 79 CO 0.94 -0.28 1.55 -1.20 0.00 0.00 0.00 175.10 176.11 2dj0 n SER 80 N 4.44 3.01 -2.41 3.32 7.64 -1.26 -4.53 113.62 123.84 2dj0 n SER 80 Ca -0.07 1.09 -0.32 0.00 1.01 0.00 0.00 58.87 60.58 2dj0 n SER 80 Cb 0.42 -1.42 0.04 0.00 -1.01 0.00 0.00 64.21 62.24 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 3.15 3.08 -4.10 0.44 -2.24 -1.26 -4.59 114.28 108.77 2dj0 n THR 81 Ca 0.16 -3.98 -0.33 0.00 -2.27 0.00 0.00 64.05 57.63 2dj0 n THR 81 Cb 0.29 -1.19 -0.07 0.00 -2.10 0.00 0.00 70.33 67.26 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 -2.48 5.70 0.00 3.42 0.01 -1.26 -4.99 113.70 114.10 2dj0 s SER 82 Ca 0.55 0.16 0.14 0.00 1.31 0.00 0.00 55.95 58.11 2dj0 s SER 82 Cb 0.45 -1.65 0.62 0.00 0.21 0.00 0.00 66.02 65.65 2dj0 s SER 82 CO -0.12 0.28 1.45 -0.81 0.41 0.00 0.00 173.24 174.45 2dj0 n PRO 83 N 1.24 0.01 -0.07 12.44 -0.04 -1.26 -2.94 135.00 144.39 2dj0 n PRO 83 Ca -0.13 0.25 -0.21 0.00 -0.04 0.00 0.00 63.50 63.36 2dj0 n PRO 83 Cb 0.53 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.49 2.55 -4.45 1.53 7.99 -1.26 -4.97 117.00 116.90 2dj0 n LEU 84 Ca 0.04 0.15 -0.29 0.00 -0.01 0.00 0.00 56.01 55.90 2dj0 n LEU 84 Cb 0.16 -1.01 0.26 0.00 -0.11 0.00 0.00 43.42 42.73 2dj0 n LEU 84 CO 0.13 0.76 0.50 0.28 -1.51 0.00 0.00 177.39 177.55 2dj0 s THR 85 N -2.51 1.77 -0.28 -5.08 -1.32 -1.15 -4.97 115.64 102.10 2dj0 s THR 85 Ca -0.29 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.27 2dj0 s THR 85 Cb 0.08 -2.12 0.46 0.00 -1.51 0.00 0.00 72.50 69.41 2dj0 s THR 85 CO 0.66 0.00 1.19 0.29 -2.21 0.00 0.00 174.62 174.56 2dj0 n LYS 86 N -5.08 3.35 -1.11 7.08 4.76 -1.26 -4.73 118.16 121.17 2dj0 n LYS 86 Ca 0.06 -4.06 -0.18 0.00 -2.87 0.00 0.00 58.31 51.26 2dj0 n LYS 86 Cb 0.56 -2.19 0.18 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 -0.75 2.13 -3.66 1.97 6.02 -1.26 -4.84 117.38 116.98 2dj0 n GLN 87 Ca 0.41 -3.08 -0.06 0.00 -0.01 0.00 0.00 57.00 54.26 2dj0 n GLN 87 Cb 0.94 -2.07 -0.07 0.00 1.02 0.00 0.00 30.24 30.06 2dj0 n GLN 87 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2dj0 s LEU 88 N -3.30 -0.81 0.00 1.08 1.43 -1.26 -4.20 118.68 111.62 2dj0 s LEU 88 Ca 0.53 1.28 -0.21 0.00 -1.03 0.00 0.00 54.13 54.71 2dj0 s LEU 88 Cb 0.46 1.87 0.31 0.00 0.03 0.00 0.00 46.19 48.86 2dj0 s LEU 88 CO 0.07 -0.22 1.10 -0.81 0.23 0.00 0.00 176.35 176.72 2dj0 n PRO 89 N 5.09 -3.16 -3.68 1.29 -0.04 -1.26 -4.85 135.00 128.39 2dj0 n PRO 89 Ca -0.14 -1.76 -0.10 0.00 -0.04 0.00 0.00 63.50 61.47 2dj0 n PRO 89 Cb 0.52 -1.65 -0.11 0.00 -0.04 0.00 0.00 33.50 32.22 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 -2.99 -0.30 -0.11 0.52 2.01 0.16 -4.72 115.64 110.20 2dj0 s THR 90 Ca 0.71 0.15 -0.04 0.00 0.31 0.00 0.00 61.69 62.81 2dj0 s THR 90 Cb -0.07 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 2dj0 s THR 90 CO 0.55 0.06 0.06 -0.76 -0.69 0.00 0.00 174.62 173.83 2dj0 s LEU 91 N 1.96 3.87 -0.02 4.42 1.43 0.55 -0.23 118.68 130.66 2dj0 s LEU 91 Ca -0.05 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.27 2dj0 s LEU 91 Cb -0.10 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.21 2dj0 s LEU 91 CO -0.12 0.35 0.05 -0.63 0.23 0.00 0.00 176.35 176.23 2dj0 s ILE 92 N -0.69 -0.03 -0.19 -0.59 1.01 -1.18 0.09 121.20 119.63 2dj0 s ILE 92 Ca 0.12 0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.78 2dj0 s ILE 92 Cb -0.12 -0.09 -0.05 0.00 0.01 0.00 0.00 42.46 42.21 2dj0 s ILE 92 CO 0.02 0.04 0.13 -0.22 0.00 0.00 0.00 174.94 174.91 2dj0 s LEU 93 N 0.57 4.20 -0.22 2.97 2.96 -0.63 -3.11 118.68 125.42 2dj0 s LEU 93 Ca -0.05 0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 54.10 2dj0 s LEU 93 Cb -0.06 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.56 2dj0 s LEU 93 CO -0.02 0.22 -0.09 -0.36 -1.32 0.00 0.00 176.35 174.77 2dj0 s PHE 94 N 0.14 2.93 -0.72 5.38 0.08 -0.39 -1.09 117.98 124.31 2dj0 s PHE 94 Ca 0.09 -1.30 0.04 0.00 0.12 0.00 0.00 56.93 55.88 2dj0 s PHE 94 Cb -0.11 -2.04 0.20 0.00 -0.57 0.00 0.00 43.02 40.50 2dj0 s PHE 94 CO -0.01 -0.67 0.63 1.04 -0.10 0.00 0.00 175.22 176.12 2dj0 n GLN 95 N 4.71 2.22 -0.31 0.44 6.02 -0.24 -2.04 117.38 128.18 2dj0 n GLN 95 Ca -0.19 -4.55 0.00 0.00 -0.01 0.00 0.00 57.00 52.25 2dj0 n GLN 95 Cb 0.50 -2.30 0.00 0.00 1.02 0.00 0.00 30.24 29.46 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 1.64 0.99 3.21 1.08 0.00 -1.18 -4.25 105.19 106.67 2dj0 n GLY 96 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.06 0.90 3.35 -0.02 0.00 -1.25 -4.94 105.19 103.16 2dj0 n GLY 97 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.19 2.45 -0.30 1.61 1.02 -1.26 -5.09 119.74 117.98 2dj0 s LYS 98 Ca 0.00 -0.84 -0.29 0.00 0.02 0.00 0.00 55.97 54.86 2dj0 s LYS 98 Cb 0.00 -2.21 -0.00 0.00 -0.52 0.00 0.00 37.83 35.09 2dj0 s LYS 98 CO 0.00 0.50 1.39 -2.00 -0.92 0.00 0.00 175.35 174.31 2dj0 s GLU 99 N -0.43 3.82 0.12 1.68 -6.30 -1.26 -1.08 118.70 115.25 2dj0 s GLU 99 Ca 0.05 1.27 0.04 0.00 -2.50 0.00 0.00 54.97 53.83 2dj0 s GLU 99 Cb -0.12 -3.94 -0.18 0.00 0.00 0.00 0.00 34.13 29.89 2dj0 s GLU 99 CO 0.01 -1.24 1.27 0.00 0.02 0.00 0.00 175.26 175.32 2dj0 h ALA 100 N 9.87 0.33 -1.41 6.30 0.00 -1.48 -3.48 119.26 129.39 2dj0 h ALA 100 Ca -0.28 -0.87 0.23 0.00 0.00 0.00 0.00 54.91 53.99 2dj0 h ALA 100 Cb 1.11 -0.11 -0.21 0.00 0.00 0.00 0.00 17.79 18.58 2dj0 h ALA 100 CO 1.04 1.14 0.80 0.00 0.00 0.00 0.00 179.25 182.22 2dj0 s MET 101 N -2.78 0.30 0.21 0.00 0.23 -1.25 -5.03 119.30 110.97 2dj0 s MET 101 Ca -0.01 -0.05 0.06 0.00 -1.03 0.00 0.00 55.69 54.66 2dj0 s MET 101 Cb 0.09 0.14 -0.05 0.00 -1.53 0.00 0.00 34.83 33.48 2dj0 s MET 101 CO 0.83 -0.12 -0.10 -0.98 -2.03 0.00 0.00 175.02 172.63 2dj0 s ARG 102 N -1.96 1.31 -0.17 3.16 1.70 -1.26 -1.61 118.95 120.12 2dj0 s ARG 102 Ca 0.08 -1.61 -0.07 0.00 -0.47 0.00 0.00 55.73 53.66 2dj0 s ARG 102 Cb -0.01 -0.93 0.08 0.00 -0.57 0.00 0.00 34.95 33.51 2dj0 s ARG 102 CO -0.05 0.09 0.37 0.50 -1.08 0.00 0.00 175.30 175.13 2dj0 s ARG 103 N -3.72 0.29 1.21 3.89 6.06 0.11 -3.97 118.95 122.82 2dj0 s ARG 103 Ca 0.23 0.90 -0.19 0.00 -2.50 0.00 0.00 55.73 54.17 2dj0 s ARG 103 Cb 0.02 0.16 0.29 0.00 0.06 0.00 0.00 34.95 35.48 2dj0 s ARG 103 CO 0.07 -0.24 1.11 -1.25 -2.50 0.00 0.00 175.30 172.49 2dj0 s PRO 104 N 2.30 -1.27 0.04 5.12 0.04 -1.26 -0.33 135.00 139.64 2dj0 s PRO 104 Ca -0.03 -0.08 0.06 0.00 0.04 0.00 0.00 61.00 60.99 2dj0 s PRO 104 Cb -0.11 -1.59 -0.03 0.00 0.04 0.00 0.00 34.50 32.80 2dj0 s PRO 104 CO -0.12 -3.74 -0.13 -1.14 0.04 0.00 0.00 177.00 171.91 2dj0 s GLN 105 N -5.42 2.22 -0.02 4.56 0.74 -1.25 -4.93 119.66 115.56 2dj0 s GLN 105 Ca 0.71 -0.92 -0.15 0.00 0.05 0.00 0.00 55.36 55.05 2dj0 s GLN 105 Cb -0.09 -2.30 -0.05 0.00 1.10 0.00 0.00 33.01 31.66 2dj0 s GLN 105 CO 0.56 0.55 0.42 0.42 -0.55 0.00 0.00 175.29 176.69 2dj0 s ILE 106 N -1.01 5.05 -1.33 -2.34 -1.09 -1.26 -2.52 121.20 116.69 2dj0 s ILE 106 Ca 0.17 0.85 -0.08 0.00 -2.23 0.00 0.00 60.65 59.36 2dj0 s ILE 106 Cb -0.11 -3.73 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 2dj0 s ILE 106 CO 0.08 0.54 2.81 0.47 -1.23 0.00 0.00 174.94 177.61 2dj0 n ASP 107 N 2.10 8.13 -2.84 3.58 8.00 -1.19 -4.68 116.55 129.65 2dj0 n ASP 107 Ca -0.13 -2.79 -0.13 0.00 0.71 0.00 0.00 54.79 52.45 2dj0 n ASP 107 Cb 0.52 -1.46 -0.02 0.00 -0.02 0.00 0.00 41.12 40.13 2dj0 n ASP 107 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2dj0 n LYS 108 N 2.71 -1.96 0.00 -1.24 4.81 -1.26 -4.53 118.16 116.68 2dj0 n LYS 108 Ca 0.69 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 2dj0 n LYS 108 Cb 0.31 -3.80 0.00 0.00 0.02 0.00 0.00 35.03 31.56 2dj0 n LYS 108 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2dj0 n LYS 109 N -2.58 1.08 0.00 1.64 4.76 -1.26 -5.04 118.16 116.76 2dj0 n LYS 109 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2dj0 n LYS 109 Cb 0.40 -0.73 0.00 0.00 -1.84 0.00 0.00 35.03 32.85 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 2.00 1.21 3.84 0.72 0.00 -1.26 -5.12 105.19 106.58 2dj0 n GLY 110 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2dj0 n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dj0 s ARG 111 N 0.00 3.65 -0.27 1.61 1.81 -1.26 -4.99 118.95 119.50 2dj0 s ARG 111 Ca 0.00 -0.12 -0.21 0.00 -1.72 0.00 0.00 55.73 53.68 2dj0 s ARG 111 Cb 0.00 -3.25 -0.01 0.00 -0.45 0.00 0.00 34.95 31.24 2dj0 s ARG 111 CO 0.00 0.66 0.66 0.00 -0.68 0.00 0.00 175.30 175.94 2dj0 s ALA 112 N -0.69 3.59 0.22 2.13 0.00 -1.26 -3.17 121.76 122.58 2dj0 s ALA 112 Ca 0.14 -0.45 -0.32 0.00 0.00 0.00 0.00 51.96 51.33 2dj0 s ALA 112 Cb -0.12 -3.09 -0.12 0.00 0.00 0.00 0.00 23.12 19.79 2dj0 s ALA 112 CO 0.03 -0.91 1.70 0.28 0.00 0.00 0.00 175.76 176.86 2dj0 n VAL 113 N 5.27 0.15 -1.50 0.00 0.31 -1.05 -4.83 118.33 116.68 2dj0 n VAL 113 Ca 0.00 -0.04 -0.47 0.00 -0.01 0.00 0.00 64.34 63.82 2dj0 n VAL 113 Cb 0.49 -1.95 -0.06 0.00 -0.91 0.00 0.00 33.84 31.41 2dj0 n VAL 113 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2dj0 n SER 114 N 3.68 2.49 -4.36 4.52 7.64 -1.26 -4.66 113.62 121.65 2dj0 n SER 114 Ca 0.15 0.29 -0.30 0.00 1.01 0.00 0.00 58.87 60.02 2dj0 n SER 114 Cb 0.35 -1.37 -0.14 0.00 -1.01 0.00 0.00 64.21 62.04 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 7.93 2.32 -0.42 1.43 -0.00 -1.26 -5.10 118.94 123.84 2dj0 s TRP 115 Ca 1.07 -0.40 -0.24 0.00 -0.00 0.00 0.00 56.10 56.53 2dj0 s TRP 115 Cb -0.65 -1.33 0.02 0.00 -0.00 0.00 0.00 33.47 31.50 2dj0 s TRP 115 CO 0.43 0.22 0.81 0.99 -0.00 0.00 0.00 176.95 179.40 2dj0 s THR 116 N -0.91 4.64 -1.03 5.86 2.01 -1.26 -4.98 115.64 119.97 2dj0 s THR 116 Ca 0.13 0.66 -0.23 0.00 0.31 0.00 0.00 61.69 62.56 2dj0 s THR 116 Cb -0.10 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.11 2dj0 s THR 116 CO 0.04 -0.64 1.72 -0.36 -0.69 0.00 0.00 174.62 174.68 2dj0 s PHE 117 N 3.32 2.25 0.34 4.92 0.40 -1.26 -4.82 117.98 123.13 2dj0 s PHE 117 Ca 0.32 -0.28 0.04 0.00 -0.60 0.00 0.00 56.93 56.40 2dj0 s PHE 117 Cb -0.12 -4.40 -0.05 0.00 0.51 0.00 0.00 43.02 38.96 2dj0 s PHE 117 CO 0.21 -1.77 0.07 -1.54 0.70 0.00 0.00 175.22 172.90 2dj0 s SER 118 N 6.12 2.43 0.12 1.36 1.04 -1.26 -5.01 113.70 118.50 2dj0 s SER 118 Ca 0.58 -1.45 -0.05 0.00 0.48 0.00 0.00 55.95 55.51 2dj0 s SER 118 Cb -0.02 0.08 -0.14 0.00 0.10 0.00 0.00 66.02 66.04 2dj0 s SER 118 CO -0.02 -0.69 1.26 -0.08 0.98 0.00 0.00 173.24 174.69 2dj0 h GLU 119 N 2.04 0.40 0.15 4.02 4.81 -1.93 -2.46 114.58 121.61 2dj0 h GLU 119 Ca -0.40 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 58.36 2dj0 h GLU 119 Cb 1.25 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.78 2dj0 h GLU 119 CO 0.66 1.14 -0.07 1.05 -0.73 0.00 0.00 179.01 181.07 2dj0 h GLU 120 N 0.21 -0.19 -0.57 1.92 4.11 -1.97 -2.25 114.58 115.84 2dj0 h GLU 120 Ca -0.10 0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.31 2dj0 h GLU 120 Cb 1.66 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.93 2dj0 h GLU 120 CO 0.17 0.09 0.19 -0.91 0.07 0.00 0.00 179.01 178.62 2dj0 h ASN 121 N -0.47 0.79 -0.90 3.06 2.35 -1.88 -0.59 115.58 117.94 2dj0 h ASN 121 Ca -0.02 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 2dj0 h ASN 121 Cb 0.37 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 2dj0 h ASN 121 CO 0.03 0.74 0.54 0.58 -1.65 0.00 0.00 177.43 177.68 2dj0 h VAL 122 N 0.83 1.25 0.01 2.81 2.07 -1.36 0.51 116.25 122.37 2dj0 h VAL 122 Ca 0.19 -0.54 -0.14 0.00 0.82 0.00 0.00 66.70 67.03 2dj0 h VAL 122 Cb 0.23 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 29.99 2dj0 h VAL 122 CO -0.01 0.26 -0.56 0.40 0.02 0.00 0.00 177.57 177.68 2dj0 h ILE 123 N 1.25 1.45 0.66 4.57 2.04 -0.98 -2.78 117.51 123.71 2dj0 h ILE 123 Ca 0.32 -2.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.07 2dj0 h ILE 123 Cb -0.05 2.66 0.01 0.00 -0.74 0.00 0.00 36.82 38.69 2dj0 h ILE 123 CO -0.06 0.60 -0.32 -0.09 0.00 0.00 0.00 178.15 178.28 2dj0 h ARG 124 N -0.18 -0.85 -0.36 2.37 2.43 -0.95 0.64 114.38 117.49 2dj0 h ARG 124 Ca -0.07 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 2dj0 h ARG 124 Cb 1.28 0.19 -0.09 0.00 -0.42 0.00 0.00 29.97 30.94 2dj0 h ARG 124 CO 0.11 -0.57 -0.36 0.93 -1.51 0.00 0.00 179.97 178.57 2dj0 h GLU 125 N -1.23 -0.29 -0.39 0.20 4.39 -0.13 0.36 114.58 117.48 2dj0 h GLU 125 Ca -0.09 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2dj0 h GLU 125 Cb 0.68 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2dj0 h GLU 125 CO 0.15 -0.19 0.00 1.19 -1.16 0.00 0.00 179.01 178.99 2dj0 n PHE 126 N -5.42 0.42 -3.71 4.33 3.72 -1.05 -4.89 117.46 110.86 2dj0 n PHE 126 Ca -0.00 -0.18 -0.29 0.00 -0.05 0.00 0.00 57.45 56.93 2dj0 n PHE 126 Cb 0.34 -0.06 -0.06 0.00 -0.94 0.00 0.00 39.48 38.77 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 0.22 -0.93 -0.21 4.37 4.13 0.17 -4.74 115.26 118.27 2dj0 n ASN 127 Ca 0.08 -0.90 -0.01 0.00 1.68 0.00 0.00 54.58 55.44 2dj0 n ASN 127 Cb 0.29 -1.14 0.10 0.00 -1.54 0.00 0.00 39.78 37.49 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 -0.69 0.38 -1.14 3.41 3.38 -0.34 -1.13 115.31 119.17 2dj0 h LEU 128 Ca -0.44 0.05 0.30 0.00 0.09 0.00 0.00 57.88 57.89 2dj0 h LEU 128 Cb 1.00 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.61 2dj0 h LEU 128 CO 0.62 0.23 0.64 -0.55 0.09 0.00 0.00 178.44 179.47 2dj0 h ASN 129 N 0.53 0.51 0.22 -0.43 7.08 -1.86 -2.00 115.58 119.62 2dj0 h ASN 129 Ca 0.30 0.14 -0.01 0.00 -3.08 0.00 0.00 56.30 53.65 2dj0 h ASN 129 Cb 0.29 0.07 0.00 0.00 -2.08 0.00 0.00 38.32 36.61 2dj0 h ASN 129 CO -0.24 -0.02 -0.10 -0.33 -2.08 0.00 0.00 177.43 174.66 2dj0 h GLU 130 N 0.39 -0.28 -0.58 4.14 4.39 -1.56 -3.36 114.58 117.72 2dj0 h GLU 130 Ca 0.68 0.02 0.05 0.00 0.34 0.00 0.00 59.36 60.45 2dj0 h GLU 130 Cb 1.61 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 30.26 2dj0 h GLU 130 CO -0.47 -0.19 -0.34 1.28 -1.16 0.00 0.00 179.01 178.14 2dj0 n LEU 131 N -4.71 -0.61 -4.63 1.33 4.77 -0.84 -3.83 117.00 108.49 2dj0 n LEU 131 Ca -0.04 1.21 -0.42 0.00 -0.03 0.00 0.00 56.01 56.73 2dj0 n LEU 131 Cb 0.11 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2dj0 n LEU 131 CO 0.09 -0.93 0.79 -0.55 -1.33 0.00 0.00 177.39 175.46 2dj0 s SER 132 N -4.82 6.80 1.04 -1.43 0.15 -0.82 -5.02 113.70 109.60 2dj0 s SER 132 Ca -0.07 0.86 -0.17 0.00 0.70 0.00 0.00 55.95 57.27 2dj0 s SER 132 Cb 0.06 -2.48 0.03 0.00 -1.71 0.00 0.00 66.02 61.93 2dj0 s SER 132 CO 0.36 -0.76 -0.05 0.61 1.20 0.00 0.00 173.24 174.60 2dj0 n GLY 133 N 4.03 -2.54 3.69 9.45 0.00 -1.25 -4.78 105.19 113.78 2dj0 n GLY 133 Ca 0.08 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 2dj0 n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dj0 s PRO 134 N -3.28 4.26 -0.09 1.61 0.04 -1.26 -5.01 135.00 131.27 2dj0 s PRO 134 Ca 0.53 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.59 2dj0 s PRO 134 Cb -0.14 -3.61 0.02 0.00 0.04 0.00 0.00 34.50 30.81 2dj0 s PRO 134 CO 0.68 -0.62 -0.05 0.45 0.04 0.00 0.00 177.00 177.50 2dj0 s SER 135 N 2.06 1.84 -0.04 6.66 0.15 -1.26 -5.13 113.70 117.98 2dj0 s SER 135 Ca 0.65 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 57.10 2dj0 s SER 135 Cb -0.32 -0.68 0.02 0.00 -1.71 0.00 0.00 66.02 63.33 2dj0 s SER 135 CO 0.27 -0.12 -0.04 -0.55 1.20 0.00 0.00 173.24 174.00 2dj0 s SER 136 N 1.62 0.83 0.00 5.45 0.15 -1.26 -5.21 113.70 115.28 2dj0 s SER 136 Ca 0.02 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.56 2dj0 s SER 136 Cb -0.13 -0.40 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 2dj0 s SER 136 CO -0.05 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.93