#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj0 n SER 2 N 0.00 -0.93 -0.17 1.61 3.41 -1.26 -4.76 113.62 111.52 2dj0 n SER 2 Ca 0.00 -1.04 -0.01 0.00 -0.26 0.00 0.00 58.87 57.56 2dj0 n SER 2 Cb 0.00 -1.32 0.07 0.00 -0.26 0.00 0.00 64.21 62.71 2dj0 n SER 2 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2dj0 h SER 3 N -0.86 -0.17 0.00 4.04 4.64 -2.02 -3.47 113.55 115.70 2dj0 h SER 3 Ca -0.51 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2dj0 h SER 3 Cb 1.15 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2dj0 h SER 3 CO 0.70 -0.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 2dj0 n GLY 4 N -1.32 2.88 4.28 -0.77 0.00 -1.26 -5.00 105.19 103.99 2dj0 n GLY 4 Ca 0.06 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 -2.24 -0.08 1.61 7.64 -1.26 -4.82 113.62 114.47 2dj0 n SER 5 Ca 0.00 -1.03 -0.06 0.00 1.01 0.00 0.00 58.87 58.78 2dj0 n SER 5 Cb 0.00 -1.91 -0.02 0.00 -1.01 0.00 0.00 64.21 61.27 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 -2.43 1.86 -3.19 6.43 2.88 -1.26 -5.02 113.62 112.89 2dj0 n SER 6 Ca 0.10 0.52 -0.22 0.00 -1.33 0.00 0.00 58.87 57.94 2dj0 n SER 6 Cb 0.47 -0.82 0.01 0.00 -0.75 0.00 0.00 64.21 63.12 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 1.56 -0.51 3.17 0.46 0.00 -1.26 -4.95 105.19 103.66 2dj0 n GLY 7 Ca -0.10 0.60 -0.25 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.04 1.60 -0.04 1.61 1.13 -1.26 -5.10 117.35 113.24 2dj0 s TYR 8 Ca 0.11 -0.30 0.02 0.00 -1.41 0.00 0.00 57.07 55.49 2dj0 s TYR 8 Cb -0.01 -1.03 0.01 0.00 -1.10 0.00 0.00 41.96 39.83 2dj0 s TYR 8 CO 0.64 -0.03 -0.07 0.42 -2.51 0.00 0.00 175.55 174.00 2dj0 s ILE 9 N -0.41 0.70 -0.52 -3.49 1.01 -1.26 -4.81 121.20 112.42 2dj0 s ILE 9 Ca 0.07 -0.26 -0.28 0.00 0.00 0.00 0.00 60.65 60.17 2dj0 s ILE 9 Cb -0.07 -0.66 0.03 0.00 0.01 0.00 0.00 42.46 41.77 2dj0 s ILE 9 CO -0.01 0.24 1.13 -0.75 0.00 0.00 0.00 174.94 175.55 2dj0 s LYS 10 N 0.55 3.61 0.49 2.79 2.20 -1.00 -4.83 119.74 123.55 2dj0 s LYS 10 Ca -0.08 0.36 -0.19 0.00 -0.36 0.00 0.00 55.97 55.70 2dj0 s LYS 10 Cb -0.12 -3.96 -0.08 0.00 -1.51 0.00 0.00 37.83 32.16 2dj0 s LYS 10 CO 0.01 -1.48 1.00 0.71 -0.36 0.00 0.00 175.35 175.22 2dj0 s TYR 11 N 4.54 3.21 0.35 4.03 1.51 -1.26 -2.78 117.35 126.95 2dj0 s TYR 11 Ca 0.44 1.55 0.08 0.00 -1.01 0.00 0.00 57.07 58.13 2dj0 s TYR 11 Cb -0.08 -2.92 -0.07 0.00 -0.11 0.00 0.00 41.96 38.78 2dj0 s TYR 11 CO 0.28 -0.52 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.10 2dj0 s PHE 12 N -2.27 2.30 0.55 2.71 0.08 -0.52 -4.86 117.98 115.98 2dj0 s PHE 12 Ca 0.63 -0.63 0.06 0.00 0.12 0.00 0.00 56.93 57.11 2dj0 s PHE 12 Cb -0.12 -1.43 0.05 0.00 -0.57 0.00 0.00 43.02 40.94 2dj0 s PHE 12 CO 0.23 0.43 0.48 1.21 -0.10 0.00 0.00 175.22 177.47 2dj0 s ASN 13 N -3.59 4.72 0.39 1.36 3.84 -1.26 -4.73 114.94 115.67 2dj0 s ASN 13 Ca 0.33 -1.17 0.20 0.00 0.21 0.00 0.00 52.86 52.42 2dj0 s ASN 13 Cb 0.06 0.41 0.74 0.00 -0.55 0.00 0.00 41.25 41.90 2dj0 s ASN 13 CO 0.16 -1.16 1.76 -2.24 -2.79 0.00 0.00 177.10 172.83 2dj0 h ASP 14 N 0.63 0.00 0.00 -4.21 3.04 -2.00 -2.25 116.42 111.63 2dj0 h ASP 14 Ca -0.35 0.00 -0.40 0.00 -3.24 0.00 0.00 57.03 53.04 2dj0 h ASP 14 Cb 1.30 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.53 2dj0 h ASP 14 CO 0.54 0.34 -2.34 1.17 -2.04 0.00 0.00 179.24 176.91 2dj0 n LYS 15 N -3.54 0.52 -0.17 4.15 0.00 -1.26 -4.59 118.16 113.27 2dj0 n LYS 15 Ca -0.00 0.21 -0.04 0.00 0.00 0.00 0.00 58.31 58.48 2dj0 n LYS 15 Cb 0.48 -1.37 0.06 0.00 0.00 0.00 0.00 35.03 34.21 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 -0.76 0.92 -1.32 3.15 1.35 -1.96 -1.39 112.91 112.89 2dj0 h THR 16 Ca -0.60 -0.16 0.38 0.00 -0.55 0.00 0.00 66.41 65.48 2dj0 h THR 16 Cb 1.56 0.41 -0.05 0.00 -1.73 0.00 0.00 68.15 68.34 2dj0 h THR 16 CO -0.34 0.09 1.23 -0.29 -0.25 0.00 0.00 175.52 175.96 2dj0 h ILE 17 N 0.47 0.04 0.00 6.82 2.10 -1.65 0.16 117.51 125.45 2dj0 h ILE 17 Ca 0.23 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.17 2dj0 h ILE 17 Cb 0.18 0.06 0.00 0.00 -1.09 0.00 0.00 36.82 35.97 2dj0 h ILE 17 CO -0.18 0.00 -0.28 -0.78 -1.08 0.00 0.00 178.15 175.83 2dj0 h ASP 18 N 0.00 0.00 -0.98 2.19 1.82 -1.52 -3.18 116.42 114.76 2dj0 h ASP 18 Ca 0.63 0.00 0.26 0.00 -0.39 0.00 0.00 57.03 57.53 2dj0 h ASP 18 Cb 3.08 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 42.96 2dj0 h ASP 18 CO -0.01 0.58 0.53 1.05 -1.61 0.00 0.00 179.24 179.78 2dj0 h GLU 19 N -0.88 0.44 0.72 0.28 4.11 -0.94 0.44 114.58 118.75 2dj0 h GLU 19 Ca 0.00 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.37 2dj0 h GLU 19 Cb 0.28 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.44 2dj0 h GLU 19 CO 0.00 0.29 -0.34 1.49 0.07 0.00 0.00 179.01 180.52 2dj0 h GLU 20 N 0.46 -0.93 0.00 1.06 4.57 -0.96 -2.01 114.58 116.77 2dj0 h GLU 20 Ca 0.65 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.89 2dj0 h GLU 20 Cb 1.31 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 30.11 2dj0 h GLU 20 CO -0.53 -0.62 0.16 -0.07 -1.18 0.00 0.00 179.01 176.77 2dj0 h LEU 21 N -1.10 0.00 0.14 1.64 3.38 -1.32 0.18 115.31 118.22 2dj0 h LEU 21 Ca -0.10 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.57 2dj0 h LEU 21 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2dj0 h LEU 21 CO 0.16 0.00 -1.44 -0.08 0.09 0.00 0.00 178.44 177.17 2dj0 h GLU 22 N 0.00 0.29 0.00 1.13 4.81 -0.53 -2.18 114.58 118.09 2dj0 h GLU 22 Ca 0.00 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2dj0 h GLU 22 Cb 0.31 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2dj0 h GLU 22 CO 0.00 1.19 -0.66 2.89 -0.73 0.00 0.00 179.01 181.70 2dj0 n ARG 23 N -3.51 0.12 -0.24 1.92 1.85 0.37 -3.92 116.66 113.25 2dj0 n ARG 23 Ca -0.14 0.02 0.09 0.00 -1.00 0.00 0.00 57.85 56.81 2dj0 n ARG 23 Cb 1.04 -1.56 0.16 0.00 -1.05 0.00 0.00 32.46 31.06 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 -1.72 2.13 0.00 2.89 9.92 0.24 -4.86 116.55 125.14 2dj0 n ASP 24 Ca 0.04 -3.31 0.00 0.00 -0.53 0.00 0.00 54.79 50.99 2dj0 n ASP 24 Cb 0.38 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 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 -1.32 0.00 -0.60 -1.24 5.02 -0.82 0.07 118.16 119.27 2dj0 n LYS 25 Ca 0.17 0.89 0.47 0.00 -2.02 0.00 0.00 58.31 57.82 2dj0 n LYS 25 Cb 0.66 -1.50 0.77 0.00 -0.02 0.00 0.00 35.03 34.94 2dj0 n LYS 25 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2dj0 h ARG 26 N 0.00 0.01 -6.21 1.97 0.11 -1.89 -3.30 114.38 105.07 2dj0 h ARG 26 Ca 0.00 -0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.52 2dj0 h ARG 26 Cb 0.00 -0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.03 2dj0 h ARG 26 CO 0.00 0.01 0.04 0.08 0.10 0.00 0.00 179.97 180.20 2dj0 s VAL 27 N -5.00 4.77 0.20 0.08 1.01 0.11 -4.85 120.40 116.72 2dj0 s VAL 27 Ca -0.06 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 63.00 2dj0 s VAL 27 Cb 0.28 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 2dj0 s VAL 27 CO 0.87 0.45 1.01 -0.89 0.00 0.00 0.00 175.10 176.53 2dj0 s THR 28 N -0.45 4.02 -0.13 3.92 2.01 -1.26 -4.76 115.64 118.99 2dj0 s THR 28 Ca 0.33 1.87 -0.02 0.00 0.31 0.00 0.00 61.69 64.19 2dj0 s THR 28 Cb -0.20 -4.19 0.04 0.00 0.01 0.00 0.00 72.50 68.16 2dj0 s THR 28 CO 0.20 0.38 0.00 0.26 -0.69 0.00 0.00 174.62 174.78 2dj0 s TRP 29 N -0.69 0.93 -0.51 4.92 0.52 -1.12 -3.83 118.94 119.17 2dj0 s TRP 29 Ca 0.45 -0.53 -0.17 0.00 0.02 0.00 0.00 56.10 55.87 2dj0 s TRP 29 Cb -0.27 -0.95 0.08 0.00 -1.15 0.00 0.00 33.47 31.17 2dj0 s TRP 29 CO 0.34 -0.47 0.53 -1.50 0.02 0.00 0.00 176.95 175.87 2dj0 s ILE 30 N 1.89 5.05 -0.11 2.03 2.07 -1.20 -2.74 121.20 128.19 2dj0 s ILE 30 Ca 0.03 -0.88 -0.09 0.00 -1.41 0.00 0.00 60.65 58.29 2dj0 s ILE 30 Cb -0.14 -4.26 -0.04 0.00 0.13 0.00 0.00 42.46 38.15 2dj0 s ILE 30 CO -0.07 -0.76 0.20 -0.69 -1.91 0.00 0.00 174.94 171.71 2dj0 s VAL 31 N 2.14 5.39 -0.17 4.00 1.01 -1.19 -2.67 120.40 128.91 2dj0 s VAL 31 Ca 0.09 0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.39 2dj0 s VAL 31 Cb -0.23 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2dj0 s VAL 31 CO 0.08 0.58 -0.06 -0.70 0.00 0.00 0.00 175.10 175.00 2dj0 s GLU 32 N -0.80 3.50 -0.42 2.72 -6.30 -0.85 -2.91 118.70 113.64 2dj0 s GLU 32 Ca 0.16 -0.60 -0.16 0.00 -2.50 0.00 0.00 54.97 51.87 2dj0 s GLU 32 Cb -0.13 -2.87 0.02 0.00 0.00 0.00 0.00 34.13 31.16 2dj0 s GLU 32 CO 0.05 0.10 0.35 -0.06 0.02 0.00 0.00 175.26 175.72 2dj0 s PHE 33 N 0.71 3.21 0.28 5.30 0.40 0.19 -2.59 117.98 125.49 2dj0 s PHE 33 Ca -0.03 -0.52 0.05 0.00 -0.60 0.00 0.00 56.93 55.83 2dj0 s PHE 33 Cb -0.15 -2.72 -0.06 0.00 0.51 0.00 0.00 43.02 40.61 2dj0 s PHE 33 CO 0.02 -0.64 -0.01 -0.59 0.70 0.00 0.00 175.22 174.70 2dj0 s PHE 34 N 1.85 1.87 0.24 0.36 -0.12 -1.24 -1.20 117.98 119.74 2dj0 s PHE 34 Ca 0.08 -0.82 0.09 0.00 -0.05 0.00 0.00 56.93 56.23 2dj0 s PHE 34 Cb -0.18 -1.12 -0.05 0.00 -0.63 0.00 0.00 43.02 41.04 2dj0 s PHE 34 CO 0.11 0.14 -0.16 0.00 -0.05 0.00 0.00 175.22 175.26 2dj0 s ALA 35 N -3.18 2.33 0.21 1.99 0.00 -1.26 -0.08 121.76 121.76 2dj0 s ALA 35 Ca 0.31 -1.76 0.11 0.00 0.00 0.00 0.00 51.96 50.61 2dj0 s ALA 35 Cb 0.06 -0.13 0.24 0.00 0.00 0.00 0.00 23.12 23.29 2dj0 s ALA 35 CO 0.12 0.14 1.54 -2.95 0.00 0.00 0.00 175.76 174.61 2dj0 h ASN 36 N 2.42 0.00 -0.64 0.00 -1.07 -1.96 -3.03 115.58 111.31 2dj0 h ASN 36 Ca -0.39 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 55.83 2dj0 h ASN 36 Cb 1.24 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 37.40 2dj0 h ASN 36 CO 0.62 0.68 0.19 -2.67 0.07 0.00 0.00 177.43 176.32 2dj0 n TRP 37 N -3.64 2.15 -3.63 4.14 4.27 -1.26 -4.77 117.44 114.70 2dj0 n TRP 37 Ca -0.01 -0.99 -0.39 0.00 -3.89 0.00 0.00 57.50 52.22 2dj0 n TRP 37 Cb 0.69 -0.60 -0.08 0.00 -1.36 0.00 0.00 31.31 29.96 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 -0.80 5.59 0.25 -0.67 0.15 -1.15 -4.92 113.70 112.16 2dj0 s SER 38 Ca 0.49 -2.76 -0.04 0.00 0.70 0.00 0.00 55.95 54.34 2dj0 s SER 38 Cb 0.39 -1.94 0.30 0.00 -1.71 0.00 0.00 66.02 63.06 2dj0 s SER 38 CO 0.13 -0.43 1.79 -0.55 1.20 0.00 0.00 173.24 175.37 2dj0 h ASN 39 N 7.27 0.89 -1.25 5.45 7.08 -1.88 -2.48 115.58 130.66 2dj0 h ASN 39 Ca -0.00 -0.17 0.36 0.00 -3.08 0.00 0.00 56.30 53.41 2dj0 h ASN 39 Cb 0.98 -0.23 -0.05 0.00 -2.08 0.00 0.00 38.32 36.93 2dj0 h ASN 39 CO 0.73 0.86 0.93 -0.78 -2.08 0.00 0.00 177.43 177.09 2dj0 h ASP 40 N 0.91 0.00 -0.55 6.14 3.58 -1.92 0.69 116.42 125.27 2dj0 h ASP 40 Ca 0.20 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.60 2dj0 h ASP 40 Cb 0.32 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.34 2dj0 h ASP 40 CO -0.00 0.00 0.16 0.00 -2.88 0.00 0.00 179.24 176.52 2dj0 h GLN 42 N 0.87 0.00 -0.40 0.00 3.07 0.24 0.59 115.11 119.47 2dj0 h GLN 42 Ca 0.19 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.78 2dj0 h GLN 42 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.84 2dj0 h GLN 42 CO -0.00 0.00 -0.34 1.03 0.09 0.00 0.00 178.83 179.60 2dj0 h SER 43 N 0.00 0.98 -0.72 0.06 0.87 -1.53 -3.00 113.55 110.21 2dj0 h SER 43 Ca 0.48 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2dj0 h SER 43 Cb 1.96 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.65 2dj0 h SER 43 CO -0.01 1.22 0.00 0.33 -0.53 0.00 0.00 176.83 177.85 2dj0 n PHE 44 N -4.07 0.96 0.48 2.24 7.35 0.12 -4.50 117.46 120.04 2dj0 n PHE 44 Ca -0.02 -0.49 -0.19 0.00 -0.76 0.00 0.00 57.45 56.00 2dj0 n PHE 44 Cb 0.52 -0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.26 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 4.33 -1.31 -0.11 3.13 0.00 0.10 -1.70 119.26 123.70 2dj0 h ALA 45 Ca 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 2dj0 h ALA 45 Cb 0.99 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2dj0 h ALA 45 CO 0.00 -1.22 -0.46 -1.00 0.00 0.00 0.00 179.25 176.57 2dj0 h PRO 46 N -1.23 0.26 -0.44 0.00 0.13 -1.80 -3.08 132.00 125.83 2dj0 h PRO 46 Ca -0.12 -0.14 -0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2dj0 h PRO 46 Cb 0.93 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 2dj0 h PRO 46 CO 0.20 0.67 0.27 0.82 -0.23 0.00 0.00 178.00 179.74 2dj0 h ILE 47 N 0.21 1.14 -0.54 -3.56 2.04 -1.78 -2.13 117.51 112.89 2dj0 h ILE 47 Ca 0.01 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 2dj0 h ILE 47 Cb 0.90 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 2dj0 h ILE 47 CO 0.07 0.14 0.14 0.22 0.00 0.00 0.00 178.15 178.72 2dj0 h TYR 48 N 0.59 0.85 0.35 1.37 3.20 -1.28 -2.41 116.97 119.64 2dj0 h TYR 48 Ca 0.16 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 2dj0 h TYR 48 Cb -0.01 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.02 2dj0 h TYR 48 CO -0.03 0.71 -0.17 0.00 -1.64 0.00 0.00 178.16 177.02 2dj0 h ALA 49 N 1.35 -0.47 -0.30 1.82 0.00 -1.37 -1.16 119.26 119.13 2dj0 h ALA 49 Ca 0.18 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2dj0 h ALA 49 Cb 0.28 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2dj0 h ALA 49 CO -0.00 -0.74 -0.01 0.22 0.00 0.00 0.00 179.25 178.72 2dj0 h ASP 50 N -0.53 -0.13 0.40 0.00 1.82 -1.29 -1.34 116.42 115.35 2dj0 h ASP 50 Ca -0.05 0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 2dj0 h ASP 50 Cb 0.40 0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 2dj0 h ASP 50 CO 0.08 -0.03 -0.36 -0.07 -1.61 0.00 0.00 179.24 177.25 2dj0 h LEU 51 N 0.08 -0.96 -0.27 2.28 3.38 -1.34 -1.80 115.31 116.67 2dj0 h LEU 51 Ca 0.14 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.22 2dj0 h LEU 51 Cb 0.20 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2dj0 h LEU 51 CO -0.25 -0.48 -0.36 0.77 0.09 0.00 0.00 178.44 178.21 2dj0 h SER 52 N -0.74 -1.20 -0.95 -0.43 4.64 -1.09 -0.09 113.55 113.69 2dj0 h SER 52 Ca -0.05 0.16 0.17 0.00 -0.47 0.00 0.00 61.79 61.60 2dj0 h SER 52 Cb 0.63 0.49 -0.17 0.00 -0.31 0.00 0.00 62.40 63.04 2dj0 h SER 52 CO -0.02 -0.25 -0.31 -0.07 -0.87 0.00 0.00 176.83 175.31 2dj0 h LEU 53 N -0.25 -1.14 0.25 5.97 3.38 -1.23 1.83 115.31 124.13 2dj0 h LEU 53 Ca 0.05 0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.32 2dj0 h LEU 53 Cb 0.38 0.66 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 2dj0 h LEU 53 CO -0.39 -0.30 -0.30 0.11 0.09 0.00 0.00 178.44 177.65 2dj0 h LYS 54 N -0.01 -0.58 -0.65 1.13 1.57 -0.32 -1.27 116.57 116.44 2dj0 h LYS 54 Ca 0.40 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2dj0 h LYS 54 Cb 0.65 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2dj0 h LYS 54 CO -0.97 -0.38 0.00 0.66 -0.57 0.00 0.00 179.45 178.19 2dj0 n TYR 55 N -5.41 0.48 -2.55 -1.35 4.02 0.22 -4.78 117.16 107.79 2dj0 n TYR 55 Ca -0.08 -0.18 -0.41 0.00 -0.01 0.00 0.00 57.90 57.22 2dj0 n TYR 55 Cb 0.32 -0.14 -0.03 0.00 -0.02 0.00 0.00 39.34 39.47 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 -0.49 6.30 0.12 7.72 3.84 0.60 -4.51 114.94 128.51 2dj0 s ASN 56 Ca 0.15 -0.91 -0.06 0.00 0.21 0.00 0.00 52.86 52.25 2dj0 s ASN 56 Cb 0.10 -2.56 -0.02 0.00 -0.55 0.00 0.00 41.25 38.22 2dj0 s ASN 56 CO 0.06 -1.70 0.16 0.00 -2.79 0.00 0.00 177.10 172.83 2dj0 h THR 58 N 2.77 0.06 0.00 0.00 2.02 -2.03 -3.24 112.91 112.49 2dj0 h THR 58 Ca -0.33 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2dj0 h THR 58 Cb 1.20 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2dj0 h THR 58 CO 0.56 0.01 0.00 0.61 0.37 0.00 0.00 175.52 177.07 2dj0 n GLY 59 N -1.39 0.59 3.74 2.16 0.00 -1.26 -4.84 105.19 104.18 2dj0 n GLY 59 Ca 0.38 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 4.38 0.22 0.99 2.96 -1.22 -4.76 118.68 121.25 2dj0 s LEU 60 Ca 0.00 2.62 0.05 0.00 -0.22 0.00 0.00 54.13 56.57 2dj0 s LEU 60 Cb 0.00 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 2dj0 s LEU 60 CO 0.00 -0.70 -0.06 0.20 -1.32 0.00 0.00 176.35 174.47 2dj0 s ASN 61 N 0.53 2.11 -0.09 3.68 0.01 -1.25 -2.64 114.94 117.29 2dj0 s ASN 61 Ca 0.61 -1.14 0.03 0.00 -0.71 0.00 0.00 52.86 51.65 2dj0 s ASN 61 Cb -0.41 -0.05 0.01 0.00 0.41 0.00 0.00 41.25 41.20 2dj0 s ASN 61 CO 0.40 -0.39 -0.19 -0.36 -1.51 0.00 0.00 177.10 175.05 2dj0 s PHE 62 N -3.26 2.11 0.22 2.20 0.40 -1.26 -3.22 117.98 115.17 2dj0 s PHE 62 Ca 0.25 -0.88 0.03 0.00 -0.60 0.00 0.00 56.93 55.74 2dj0 s PHE 62 Cb 0.04 -1.46 -0.05 0.00 0.51 0.00 0.00 43.02 42.06 2dj0 s PHE 62 CO 0.07 -0.39 -0.01 0.20 0.70 0.00 0.00 175.22 175.80 2dj0 s GLY 63 N 0.56 1.47 0.14 4.36 0.00 -1.09 -2.36 107.32 110.40 2dj0 s GLY 63 Ca -0.15 -1.72 0.01 0.00 0.00 0.00 0.00 44.72 42.86 2dj0 s GLY 63 CO 0.05 -1.63 -0.01 0.54 0.00 0.00 0.00 173.10 172.05 2dj0 s LYS 64 N -3.87 0.99 -0.30 2.90 1.02 -1.12 -2.01 119.74 117.35 2dj0 s LYS 64 Ca 0.27 -1.45 -0.01 0.00 0.02 0.00 0.00 55.97 54.80 2dj0 s LYS 64 Cb 0.06 -0.16 0.19 0.00 -0.52 0.00 0.00 37.83 37.40 2dj0 s LYS 64 CO 0.07 -0.12 0.69 0.54 -0.92 0.00 0.00 175.35 175.62 2dj0 s VAL 65 N -3.71 -0.86 -0.20 3.17 0.11 -1.07 -1.43 120.40 116.41 2dj0 s VAL 65 Ca 0.20 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.97 2dj0 s VAL 65 Cb 0.06 -0.95 -0.05 0.00 -1.53 0.00 0.00 36.38 33.91 2dj0 s VAL 65 CO 0.01 0.00 2.20 -0.62 -3.33 0.00 0.00 175.10 173.35 2dj0 s ASP 66 N 2.87 5.53 -0.06 3.54 -1.08 -1.26 -3.64 116.67 122.57 2dj0 s ASP 66 Ca 0.15 1.95 -0.06 0.00 -0.52 0.00 0.00 52.55 54.07 2dj0 s ASP 66 Cb -0.12 -2.51 -0.28 0.00 -1.46 0.00 0.00 42.92 38.55 2dj0 s ASP 66 CO -0.21 -1.89 0.61 -0.37 0.52 0.00 0.00 175.17 173.82 2dj0 h VAL 67 N 7.03 0.87 -0.55 1.11 -1.51 -0.81 -3.04 116.25 119.35 2dj0 h VAL 67 Ca -0.42 -2.53 0.16 0.00 -1.23 0.00 0.00 66.70 62.68 2dj0 h VAL 67 Cb 1.24 2.65 -0.02 0.00 -2.13 0.00 0.00 31.29 33.03 2dj0 h VAL 67 CO 0.96 0.83 0.95 1.23 -1.23 0.00 0.00 177.57 180.31 2dj0 h GLY 68 N 1.26 0.00 0.00 5.19 0.00 -1.88 0.79 103.07 108.43 2dj0 h GLY 68 Ca -0.34 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.78 2dj0 h GLY 68 CO 0.14 0.00 -1.79 -2.13 0.00 0.00 0.00 176.54 172.76 2dj0 n ARG 69 N -3.08 0.76 -1.76 4.80 0.00 -1.25 -4.76 116.66 111.36 2dj0 n ARG 69 Ca 0.12 0.06 -0.42 0.00 -0.00 0.00 0.00 57.85 57.61 2dj0 n ARG 69 Cb 1.13 -1.28 -0.01 0.00 0.00 0.00 0.00 32.46 32.30 2dj0 n ARG 69 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2dj0 n TYR 70 N -2.80 3.44 -0.34 -0.14 4.02 0.27 -4.74 117.16 116.87 2dj0 n TYR 70 Ca -0.23 -2.78 0.14 0.00 -0.01 0.00 0.00 57.90 55.02 2dj0 n TYR 70 Cb 0.78 -2.46 0.34 0.00 -0.02 0.00 0.00 39.34 37.98 2dj0 n TYR 70 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 2dj0 h THR 71 N 4.29 0.61 0.35 -0.72 1.35 -1.86 -0.68 112.91 116.26 2dj0 h THR 71 Ca 0.53 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 66.16 2dj0 h THR 71 Cb 0.68 -0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.01 2dj0 h THR 71 CO 1.83 0.12 -0.24 -0.78 -0.25 0.00 0.00 175.52 176.20 2dj0 h ASP 72 N 0.64 -0.61 0.78 5.36 3.58 -1.91 -2.20 116.42 122.05 2dj0 h ASP 72 Ca 0.59 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 58.05 2dj0 h ASP 72 Cb 1.03 0.19 -0.00 0.00 1.72 0.00 0.00 39.33 42.27 2dj0 h ASP 72 CO -0.44 -0.38 -0.46 0.58 -2.88 0.00 0.00 179.24 175.67 2dj0 h VAL 73 N -0.58 0.00 -0.60 2.25 2.07 -1.63 0.14 116.25 117.90 2dj0 h VAL 73 Ca -0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.54 2dj0 h VAL 73 Cb 0.49 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.19 2dj0 h VAL 73 CO 0.02 0.00 -0.35 -1.54 0.02 0.00 0.00 177.57 175.72 2dj0 n SER 74 N -5.37 -0.63 -0.19 0.57 3.41 -0.37 0.57 113.62 111.60 2dj0 n SER 74 Ca -0.14 1.44 0.08 0.00 -0.26 0.00 0.00 58.87 59.99 2dj0 n SER 74 Cb 0.48 -0.33 0.37 0.00 -0.26 0.00 0.00 64.21 64.47 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 0.97 -0.79 6.66 2.02 -1.39 0.31 112.91 120.69 2dj0 h THR 75 Ca 0.10 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 2dj0 h THR 75 Cb 0.24 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 2dj0 h THR 75 CO -0.56 0.13 0.40 -0.09 0.37 0.00 0.00 175.52 175.77 2dj0 h ARG 76 N 0.71 1.11 -0.94 6.66 2.43 0.22 -2.11 114.38 122.47 2dj0 h ARG 76 Ca 0.34 -0.15 -0.29 0.00 -0.81 0.00 0.00 59.98 59.07 2dj0 h ARG 76 Cb 0.39 -0.21 -0.17 0.00 -0.42 0.00 0.00 29.97 29.56 2dj0 h ARG 76 CO -0.12 0.85 0.36 0.66 -1.51 0.00 0.00 179.97 180.21 2dj0 n TYR 77 N -4.39 2.01 -4.19 2.20 4.02 0.94 -4.88 117.16 112.86 2dj0 n TYR 77 Ca 0.07 -1.25 -0.33 0.00 -0.01 0.00 0.00 57.90 56.39 2dj0 n TYR 77 Cb 0.12 -0.67 -0.04 0.00 -0.02 0.00 0.00 39.34 38.73 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 -0.42 -2.66 -4.86 -0.72 5.02 -0.79 -4.94 118.16 108.78 2dj0 n LYS 78 Ca 0.37 0.32 -0.31 0.00 -2.02 0.00 0.00 58.31 56.67 2dj0 n LYS 78 Cb 1.24 -4.70 -0.17 0.00 -0.02 0.00 0.00 35.03 31.38 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 -3.62 1.95 0.45 -0.18 1.01 0.98 -5.00 120.40 115.99 2dj0 s VAL 79 Ca 0.45 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 61.28 2dj0 s VAL 79 Cb -0.25 -1.71 -0.09 0.00 0.00 0.00 0.00 36.38 34.33 2dj0 s VAL 79 CO 0.94 0.53 1.02 -0.55 0.00 0.00 0.00 175.10 177.04 2dj0 s SER 80 N 0.64 6.58 -0.27 3.32 0.15 -1.26 -3.46 113.70 119.40 2dj0 s SER 80 Ca -0.12 1.92 0.10 0.00 0.70 0.00 0.00 55.95 58.55 2dj0 s SER 80 Cb -0.16 -2.56 0.50 0.00 -1.71 0.00 0.00 66.02 62.08 2dj0 s SER 80 CO 0.03 -0.61 1.44 0.35 1.20 0.00 0.00 173.24 175.64 2dj0 n THR 81 N -0.61 2.48 -3.50 6.45 -2.24 -1.26 -4.85 114.28 110.75 2dj0 n THR 81 Ca 0.07 -2.66 -0.35 0.00 -2.27 0.00 0.00 64.05 58.84 2dj0 n THR 81 Cb 0.52 -0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.39 2dj0 n THR 81 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2dj0 s SER 82 N -2.52 6.73 0.00 3.42 0.15 -1.26 -4.90 113.70 115.31 2dj0 s SER 82 Ca 0.44 0.91 0.10 0.00 0.70 0.00 0.00 55.95 58.09 2dj0 s SER 82 Cb 0.39 -2.22 0.57 0.00 -1.71 0.00 0.00 66.02 63.05 2dj0 s SER 82 CO 0.00 0.18 1.01 -0.81 1.20 0.00 0.00 173.24 174.83 2dj0 n PRO 83 N 1.04 0.49 -0.09 5.44 -0.04 -1.26 -2.85 135.00 137.72 2dj0 n PRO 83 Ca -0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.22 2dj0 n PRO 83 Cb 0.52 -1.31 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.81 2.27 -4.48 1.53 4.77 -1.26 -5.02 117.00 114.01 2dj0 n LEU 84 Ca 0.07 0.04 -0.38 0.00 -0.03 0.00 0.00 56.01 55.72 2dj0 n LEU 84 Cb 0.03 -0.58 0.05 0.00 -2.33 0.00 0.00 43.42 40.59 2dj0 n LEU 84 CO 0.05 0.62 0.09 1.07 -1.33 0.00 0.00 177.39 177.90 2dj0 n THR 85 N -3.35 2.27 -0.19 -5.08 5.66 -1.13 -4.89 114.28 107.56 2dj0 n THR 85 Ca -0.33 -0.48 0.11 0.00 -3.05 0.00 0.00 64.05 60.31 2dj0 n THR 85 Cb 0.80 -0.73 0.30 0.00 -1.55 0.00 0.00 70.33 69.15 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 -0.29 2.60 -0.29 1.09 4.76 -1.26 -4.38 118.16 120.40 2dj0 n LYS 86 Ca 0.11 -2.49 -0.05 0.00 -2.87 0.00 0.00 58.31 53.01 2dj0 n LYS 86 Cb 0.48 -1.54 0.04 0.00 -1.84 0.00 0.00 35.03 32.18 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 1.53 1.31 -3.66 1.97 6.02 -1.26 -4.71 117.38 118.58 2dj0 n GLN 87 Ca 0.23 -0.71 -0.08 0.00 -0.01 0.00 0.00 57.00 56.44 2dj0 n GLN 87 Cb 0.59 -1.29 -0.09 0.00 1.02 0.00 0.00 30.24 30.47 2dj0 n GLN 87 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2dj0 s LEU 88 N -0.77 -0.64 0.00 1.08 1.43 -1.26 -4.17 118.68 114.35 2dj0 s LEU 88 Ca 0.13 1.10 -0.15 0.00 -1.03 0.00 0.00 54.13 54.19 2dj0 s LEU 88 Cb 0.11 1.57 0.22 0.00 0.03 0.00 0.00 46.19 48.13 2dj0 s LEU 88 CO 0.03 -0.22 0.78 -0.81 0.23 0.00 0.00 176.35 176.36 2dj0 n PRO 89 N 5.11 -2.56 -3.67 1.29 -0.04 -1.26 -4.85 135.00 129.02 2dj0 n PRO 89 Ca -0.13 -1.25 -0.10 0.00 -0.04 0.00 0.00 63.50 61.98 2dj0 n PRO 89 Cb 0.51 -1.18 -0.10 0.00 -0.04 0.00 0.00 33.50 32.69 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 -2.42 -0.38 -0.18 0.52 2.01 -0.34 -4.75 115.64 110.10 2dj0 s THR 90 Ca 0.51 0.15 -0.05 0.00 0.31 0.00 0.00 61.69 62.61 2dj0 s THR 90 Cb -0.05 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 2dj0 s THR 90 CO 0.39 0.06 0.01 -0.76 -0.69 0.00 0.00 174.62 173.63 2dj0 s LEU 91 N 2.12 3.41 0.00 4.42 1.43 -0.49 -0.64 118.68 128.93 2dj0 s LEU 91 Ca -0.05 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 2dj0 s LEU 91 Cb -0.11 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 2dj0 s LEU 91 CO -0.12 0.13 -0.12 -0.63 0.23 0.00 0.00 176.35 175.83 2dj0 s ILE 92 N 0.63 0.98 -0.26 -0.59 1.01 -1.14 -0.59 121.20 121.24 2dj0 s ILE 92 Ca -0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 2dj0 s ILE 92 Cb -0.14 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 2dj0 s ILE 92 CO 0.02 0.21 0.11 -0.22 0.00 0.00 0.00 174.94 175.06 2dj0 s LEU 93 N -0.45 3.62 -0.40 2.97 2.96 -1.08 -3.14 118.68 123.16 2dj0 s LEU 93 Ca 0.04 -0.17 -0.14 0.00 -0.22 0.00 0.00 54.13 53.64 2dj0 s LEU 93 Cb -0.05 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.68 2dj0 s LEU 93 CO -0.00 -0.05 0.29 -0.36 -1.32 0.00 0.00 176.35 174.91 2dj0 s PHE 94 N 1.65 3.24 -0.38 5.38 0.08 -1.11 -2.40 117.98 124.44 2dj0 s PHE 94 Ca 0.06 -0.59 0.02 0.00 0.12 0.00 0.00 56.93 56.55 2dj0 s PHE 94 Cb -0.15 -2.56 0.11 0.00 -0.57 0.00 0.00 43.02 39.84 2dj0 s PHE 94 CO 0.06 -0.57 0.15 -0.65 -0.10 0.00 0.00 175.22 174.10 2dj0 s GLN 95 N 1.67 1.22 0.00 0.44 -1.52 -1.12 -2.80 119.66 117.55 2dj0 s GLN 95 Ca 0.05 -1.73 0.00 0.00 -1.95 0.00 0.00 55.36 51.73 2dj0 s GLN 95 Cb -0.19 -2.56 0.00 0.00 -0.22 0.00 0.00 33.01 30.04 2dj0 s GLN 95 CO 0.10 -1.04 0.00 0.41 -0.25 0.00 0.00 175.29 174.51 2dj0 n GLY 96 N 4.11 1.40 2.58 3.09 0.00 -1.24 -4.28 105.19 110.85 2dj0 n GLY 96 Ca 0.03 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.67 -0.42 3.29 -0.02 0.00 -1.26 -4.98 105.19 101.12 2dj0 n GLY 97 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2dj0 n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dj0 s LYS 98 N -5.21 0.54 -0.92 1.61 -2.85 -1.26 -5.08 119.74 106.56 2dj0 s LYS 98 Ca 0.11 0.37 -0.25 0.00 -1.00 0.00 0.00 55.97 55.21 2dj0 s LYS 98 Cb -0.05 0.25 -0.06 0.00 -2.06 0.00 0.00 37.83 35.91 2dj0 s LYS 98 CO 0.14 -0.10 2.00 -2.00 0.10 0.00 0.00 175.35 175.49 2dj0 s GLU 99 N -0.20 2.43 0.08 1.78 2.12 -1.26 -2.79 118.70 120.86 2dj0 s GLU 99 Ca -0.04 -0.28 -0.22 0.00 0.36 0.00 0.00 54.97 54.79 2dj0 s GLU 99 Cb -0.03 -5.05 -0.13 0.00 0.26 0.00 0.00 34.13 29.18 2dj0 s GLU 99 CO 0.02 -3.56 1.68 0.00 -0.54 0.00 0.00 175.26 172.85 2dj0 h ALA 100 N 11.30 0.08 -2.81 6.30 0.00 -1.78 -3.47 119.26 128.89 2dj0 h ALA 100 Ca 0.10 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 2dj0 h ALA 100 Cb 1.00 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.66 2dj0 h ALA 100 CO 1.19 -0.38 -0.25 0.00 0.00 0.00 0.00 179.25 179.81 2dj0 s MET 101 N -5.88 1.58 -0.17 0.00 0.00 -1.24 -5.05 119.30 108.54 2dj0 s MET 101 Ca -0.13 -1.49 -0.24 0.00 0.00 0.00 0.00 55.69 53.83 2dj0 s MET 101 Cb 0.06 0.42 0.06 0.00 0.00 0.00 0.00 34.83 35.37 2dj0 s MET 101 CO 0.67 -0.63 0.63 -0.98 0.00 0.00 0.00 175.02 174.71 2dj0 s ARG 102 N -3.76 0.83 -0.04 3.16 1.70 -1.26 -2.62 118.95 116.96 2dj0 s ARG 102 Ca 0.29 0.64 -0.02 0.00 -0.47 0.00 0.00 55.73 56.17 2dj0 s ARG 102 Cb 0.01 0.40 0.03 0.00 -0.57 0.00 0.00 34.95 34.82 2dj0 s ARG 102 CO 0.13 -0.16 0.05 1.03 -1.08 0.00 0.00 175.30 175.27 2dj0 s ARG 103 N -0.20 -0.07 1.02 3.89 1.81 0.25 -3.25 118.95 122.40 2dj0 s ARG 103 Ca -0.04 0.34 -0.13 0.00 -1.72 0.00 0.00 55.73 54.18 2dj0 s ARG 103 Cb -0.03 -0.45 0.20 0.00 -0.45 0.00 0.00 34.95 34.21 2dj0 s ARG 103 CO 0.04 -0.29 1.09 -1.25 -0.68 0.00 0.00 175.30 174.21 2dj0 s PRO 104 N 1.92 0.28 -0.02 3.54 0.04 -1.26 -1.39 135.00 138.11 2dj0 s PRO 104 Ca 0.02 0.47 0.02 0.00 0.04 0.00 0.00 61.00 61.56 2dj0 s PRO 104 Cb -0.12 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 2dj0 s PRO 104 CO -0.03 -2.82 -0.06 -1.14 0.04 0.00 0.00 177.00 172.99 2dj0 s GLN 105 N -4.97 2.64 -0.23 4.56 0.74 -1.20 -4.92 119.66 116.28 2dj0 s GLN 105 Ca 0.66 -0.65 -0.17 0.00 0.05 0.00 0.00 55.36 55.25 2dj0 s GLN 105 Cb -0.19 -2.55 -0.03 0.00 1.10 0.00 0.00 33.01 31.34 2dj0 s GLN 105 CO 0.58 0.63 0.45 0.42 -0.55 0.00 0.00 175.29 176.81 2dj0 s ILE 106 N -0.94 5.14 0.58 -2.34 -1.09 -1.26 -3.04 121.20 118.26 2dj0 s ILE 106 Ca 0.16 0.78 0.06 0.00 -2.23 0.00 0.00 60.65 59.41 2dj0 s ILE 106 Cb -0.11 -3.77 0.08 0.00 -1.58 0.00 0.00 42.46 37.08 2dj0 s ILE 106 CO 0.06 0.18 0.80 1.51 -1.23 0.00 0.00 174.94 176.26 2dj0 s ASP 107 N 1.29 5.02 0.20 3.58 -4.77 -1.22 -4.90 116.67 115.88 2dj0 s ASP 107 Ca 0.20 -0.55 -0.14 0.00 -3.30 0.00 0.00 52.55 48.77 2dj0 s ASP 107 Cb -0.15 -0.09 0.24 0.00 -1.09 0.00 0.00 42.92 41.82 2dj0 s ASP 107 CO 0.09 -1.35 1.33 1.17 0.70 0.00 0.00 175.17 177.11 2dj0 n LYS 108 N -2.34 -0.18 -0.34 2.11 4.81 -1.26 0.12 118.16 121.08 2dj0 n LYS 108 Ca 0.13 1.32 0.20 0.00 -0.87 0.00 0.00 58.31 59.10 2dj0 n LYS 108 Cb 0.61 -1.96 0.39 0.00 0.02 0.00 0.00 35.03 34.08 2dj0 n LYS 108 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2dj0 h LYS 109 N 0.00 0.01 0.00 1.64 1.79 -2.02 -3.44 116.57 114.54 2dj0 h LYS 109 Ca 0.32 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 2dj0 h LYS 109 Cb 0.53 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2dj0 h LYS 109 CO -0.86 0.01 0.00 0.41 -1.08 0.00 0.00 179.45 177.93 2dj0 n GLY 110 N -1.42 1.95 3.35 3.86 0.00 0.31 -5.12 105.19 108.13 2dj0 n GLY 110 Ca 0.28 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.94 1.38 -0.38 1.61 1.81 -1.26 -4.95 118.95 116.23 2dj0 s ARG 111 Ca 0.00 -1.71 -0.21 0.00 -1.72 0.00 0.00 55.73 52.09 2dj0 s ARG 111 Cb 0.00 -0.65 0.01 0.00 -0.45 0.00 0.00 34.95 33.86 2dj0 s ARG 111 CO 0.00 -0.11 0.69 0.00 -0.68 0.00 0.00 175.30 175.20 2dj0 s ALA 112 N -3.40 3.42 0.13 2.13 0.00 -1.26 -3.43 121.76 119.34 2dj0 s ALA 112 Ca 0.30 -0.85 -0.31 0.00 0.00 0.00 0.00 51.96 51.09 2dj0 s ALA 112 Cb 0.06 -3.27 -0.11 0.00 0.00 0.00 0.00 23.12 19.80 2dj0 s ALA 112 CO 0.10 -1.48 1.82 0.28 0.00 0.00 0.00 175.76 176.48 2dj0 n VAL 113 N 5.72 0.33 -1.55 0.00 0.31 -1.17 -4.83 118.33 117.14 2dj0 n VAL 113 Ca 0.00 -0.06 -0.36 0.00 -0.01 0.00 0.00 64.34 63.91 2dj0 n VAL 113 Cb 0.48 -2.09 -0.04 0.00 -0.91 0.00 0.00 33.84 31.28 2dj0 n VAL 113 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2dj0 n SER 114 N 5.47 2.16 -4.50 4.52 3.41 -1.26 -4.67 113.62 118.74 2dj0 n SER 114 Ca 0.18 -0.47 -0.26 0.00 -0.26 0.00 0.00 58.87 58.06 2dj0 n SER 114 Cb 0.37 -1.54 -0.10 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 12.05 2.45 0.12 7.33 -0.00 -1.26 -5.12 118.94 134.51 2dj0 s TRP 115 Ca 1.01 -0.29 -0.25 0.00 -0.00 0.00 0.00 56.10 56.57 2dj0 s TRP 115 Cb -0.25 -1.18 -0.07 0.00 -0.00 0.00 0.00 33.47 31.96 2dj0 s TRP 115 CO 0.28 0.54 0.76 0.99 -0.00 0.00 0.00 176.95 179.52 2dj0 s THR 116 N -1.83 4.52 -0.78 5.86 2.01 -1.26 -5.02 115.64 119.14 2dj0 s THR 116 Ca 0.24 1.65 -0.01 0.00 0.31 0.00 0.00 61.69 63.88 2dj0 s THR 116 Cb -0.08 -4.12 0.19 0.00 0.01 0.00 0.00 72.50 68.51 2dj0 s THR 116 CO 0.13 0.47 0.62 -0.36 -0.69 0.00 0.00 174.62 174.79 2dj0 s PHE 117 N -0.76 3.68 0.20 4.92 0.40 -1.26 -4.82 117.98 120.34 2dj0 s PHE 117 Ca 0.36 -3.00 0.09 0.00 -0.60 0.00 0.00 56.93 53.78 2dj0 s PHE 117 Cb -0.22 -3.13 -0.05 0.00 0.51 0.00 0.00 43.02 40.13 2dj0 s PHE 117 CO 0.25 -0.73 -0.17 -1.54 0.70 0.00 0.00 175.22 173.73 2dj0 s SER 118 N -0.13 2.76 0.10 1.36 1.04 -1.26 -4.93 113.70 112.64 2dj0 s SER 118 Ca 0.24 -0.97 -0.26 0.00 0.48 0.00 0.00 55.95 55.44 2dj0 s SER 118 Cb -0.11 -0.17 -0.09 0.00 0.10 0.00 0.00 66.02 65.75 2dj0 s SER 118 CO -0.10 -0.09 1.43 -0.08 0.98 0.00 0.00 173.24 175.38 2dj0 h GLU 119 N 2.75 -0.30 0.28 4.02 4.81 -1.97 -1.03 114.58 123.14 2dj0 h GLU 119 Ca -0.40 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2dj0 h GLU 119 Cb 1.22 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 2dj0 h GLU 119 CO 0.58 -0.20 -0.42 0.93 -0.73 0.00 0.00 179.01 179.16 2dj0 h GLU 120 N -0.31 -0.71 -0.81 1.92 4.39 -1.98 -1.13 114.58 115.96 2dj0 h GLU 120 Ca 0.06 0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.90 2dj0 h GLU 120 Cb 0.47 0.16 -0.11 0.00 -0.10 0.00 0.00 28.75 29.17 2dj0 h GLU 120 CO -0.47 -0.47 -0.41 0.09 -1.16 0.00 0.00 179.01 176.59 2dj0 n ASN 121 N -4.93 -0.71 0.21 1.42 4.13 -1.03 0.09 115.26 114.45 2dj0 n ASN 121 Ca -0.09 1.42 -0.15 0.00 1.68 0.00 0.00 54.58 57.45 2dj0 n ASN 121 Cb 0.36 -0.25 -0.07 0.00 -1.54 0.00 0.00 39.78 38.28 2dj0 n ASN 121 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2dj0 h VAL 122 N 0.00 0.36 -0.43 2.41 2.07 -0.92 0.26 116.25 120.01 2dj0 h VAL 122 Ca 0.20 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.84 2dj0 h VAL 122 Cb 0.40 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2dj0 h VAL 122 CO -0.78 0.00 0.44 0.40 0.02 0.00 0.00 177.57 177.65 2dj0 h ILE 123 N -0.66 0.40 0.00 4.57 2.04 0.66 0.25 117.51 124.78 2dj0 h ILE 123 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2dj0 h ILE 123 Cb 0.59 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2dj0 h ILE 123 CO -0.04 0.00 -0.11 -0.09 0.00 0.00 0.00 178.15 177.91 2dj0 h ARG 124 N 0.00 0.00 0.15 2.37 2.43 0.79 -2.44 114.38 117.68 2dj0 h ARG 124 Ca 0.20 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.39 2dj0 h ARG 124 Cb 1.08 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 2dj0 h ARG 124 CO -0.00 0.00 -0.36 0.93 -1.51 0.00 0.00 179.97 179.03 2dj0 h GLU 125 N -0.60 -0.59 0.00 0.20 4.39 -0.27 -0.11 114.58 117.60 2dj0 h GLU 125 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2dj0 h GLU 125 Cb 0.11 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2dj0 h GLU 125 CO 0.00 -0.39 0.00 1.19 -1.16 0.00 0.00 179.01 178.65 2dj0 n PHE 126 N -5.44 0.05 -4.07 4.33 3.72 0.86 -4.89 117.46 112.02 2dj0 n PHE 126 Ca -0.07 0.02 -0.32 0.00 -0.05 0.00 0.00 57.45 57.03 2dj0 n PHE 126 Cb 0.35 -0.53 -0.03 0.00 -0.94 0.00 0.00 39.48 38.33 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 -1.55 -1.12 -0.20 4.37 3.02 -0.06 -4.77 115.26 114.96 2dj0 n ASN 127 Ca 0.04 -1.15 -0.03 0.00 -0.03 0.00 0.00 54.58 53.41 2dj0 n ASN 127 Cb 0.20 -2.36 0.08 0.00 -0.61 0.00 0.00 39.78 37.08 2dj0 n ASN 127 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2dj0 h LEU 128 N -1.97 0.44 -1.85 3.41 3.38 -1.70 -0.85 115.31 116.18 2dj0 h LEU 128 Ca -0.66 0.03 0.31 0.00 0.09 0.00 0.00 57.88 57.66 2dj0 h LEU 128 Cb 1.39 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 42.03 2dj0 h LEU 128 CO 0.62 0.29 0.78 0.78 0.09 0.00 0.00 178.44 181.00 2dj0 h ASN 129 N 0.58 0.11 0.00 -0.43 2.35 -1.88 -0.99 115.58 115.31 2dj0 h ASN 129 Ca 0.27 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.03 2dj0 h ASN 129 Cb 0.18 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 2dj0 h ASN 129 CO -0.18 0.02 -0.11 -0.33 -1.65 0.00 0.00 177.43 175.18 2dj0 h GLU 130 N 0.09 0.00 -0.33 0.81 4.39 -1.52 -3.39 114.58 114.63 2dj0 h GLU 130 Ca 0.55 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.29 2dj0 h GLU 130 Cb 2.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.60 2dj0 h GLU 130 CO -0.08 0.19 -0.37 -0.07 -1.16 0.00 0.00 179.01 177.51 2dj0 h LEU 131 N -1.00 -1.27-10.21 1.33 3.38 -0.75 -3.41 115.31 103.38 2dj0 h LEU 131 Ca -0.01 0.17 -0.53 0.00 0.09 0.00 0.00 57.88 57.60 2dj0 h LEU 131 Cb 0.26 0.53 0.16 0.00 0.09 0.00 0.00 40.66 41.70 2dj0 h LEU 131 CO -0.01 -0.25 0.35 -0.94 0.09 0.00 0.00 178.44 177.68 2dj0 s SER 132 N -4.33 3.97 0.40 -0.43 1.04 -0.45 -5.00 113.70 108.91 2dj0 s SER 132 Ca -0.09 2.25 0.03 0.00 0.48 0.00 0.00 55.95 58.62 2dj0 s SER 132 Cb 0.06 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 2dj0 s SER 132 CO 0.41 -2.41 0.10 -0.83 0.98 0.00 0.00 173.24 171.49 2dj0 s GLY 133 N -2.33 2.51 -0.53 7.32 0.00 -1.26 -4.86 107.32 108.17 2dj0 s GLY 133 Ca 0.71 -1.36 -0.27 0.00 0.00 0.00 0.00 44.72 43.80 2dj0 s GLY 133 CO 0.49 -1.86 1.81 2.56 0.00 0.00 0.00 173.10 176.10 2dj0 s PRO 134 N -3.77 2.87 0.14 2.90 0.04 -1.26 -4.95 135.00 130.97 2dj0 s PRO 134 Ca 0.25 0.83 -0.31 0.00 0.04 0.00 0.00 61.00 61.81 2dj0 s PRO 134 Cb 0.04 -4.31 -0.10 0.00 0.04 0.00 0.00 34.50 30.17 2dj0 s PRO 134 CO 0.14 -2.43 1.60 0.45 0.04 0.00 0.00 177.00 176.80 2dj0 s SER 135 N 7.27 6.58 -0.46 6.66 0.15 -1.26 -4.83 113.70 127.80 2dj0 s SER 135 Ca 0.70 2.60 -0.44 0.00 0.70 0.00 0.00 55.95 59.50 2dj0 s SER 135 Cb -0.15 -2.59 -0.19 0.00 -1.71 0.00 0.00 66.02 61.39 2dj0 s SER 135 CO 0.25 -0.85 1.83 -0.24 1.20 0.00 0.00 173.24 175.43 2dj0 n SER 136 N 4.43 1.26 0.00 5.45 2.88 -1.26 -5.25 113.62 121.13 2dj0 n SER 136 Ca 0.15 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 2dj0 n SER 136 Cb 0.39 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 2dj0 n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42