#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 -2.07 -4.47 1.61 2.88 -1.26 -5.03 113.62 105.29 2dj0 n SER 2 Ca 0.00 -0.50 -0.30 0.00 -1.33 0.00 0.00 58.87 56.74 2dj0 n SER 2 Cb 0.00 -4.23 -0.12 0.00 -0.75 0.00 0.00 64.21 59.10 2dj0 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dj0 s SER 3 N -4.09 3.83 -1.28 -3.46 1.04 -1.26 -5.05 113.70 103.43 2dj0 s SER 3 Ca 0.01 -0.45 -0.18 0.00 0.48 0.00 0.00 55.95 55.81 2dj0 s SER 3 Cb -0.00 -0.61 0.08 0.00 0.10 0.00 0.00 66.02 65.59 2dj0 s SER 3 CO 0.59 0.24 1.70 -0.83 0.98 0.00 0.00 173.24 175.92 2dj0 s GLY 4 N -1.57 1.71 0.31 7.32 0.00 -1.26 -4.89 107.32 108.93 2dj0 s GLY 4 Ca 0.15 -2.95 -0.05 0.00 0.00 0.00 0.00 44.72 41.88 2dj0 s GLY 4 CO 0.06 2.66 0.44 -0.56 0.00 0.00 0.00 173.10 175.70 2dj0 s SER 5 N 4.10 0.60 0.30 1.64 0.01 -1.26 -5.19 113.70 113.91 2dj0 s SER 5 Ca 0.53 -1.35 -0.04 0.00 1.31 0.00 0.00 55.95 56.39 2dj0 s SER 5 Cb 0.03 0.61 -0.01 0.00 0.21 0.00 0.00 66.02 66.87 2dj0 s SER 5 CO 0.07 -1.21 0.42 -0.94 0.41 0.00 0.00 173.24 171.98 2dj0 s SER 6 N -3.18 0.60 0.00 2.44 1.04 -1.26 -5.04 113.70 108.30 2dj0 s SER 6 Ca 0.30 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.38 2dj0 s SER 6 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2dj0 s SER 6 CO 0.17 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2dj0 n GLY 7 N -0.48 0.00 2.97 7.32 0.00 -1.26 -4.97 105.19 108.77 2dj0 n GLY 7 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 2dj0 n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dj0 s TYR 8 N -0.68 1.54 -0.12 1.61 1.13 -1.26 -5.10 117.35 114.46 2dj0 s TYR 8 Ca 0.00 -0.70 0.02 0.00 -1.41 0.00 0.00 57.07 54.98 2dj0 s TYR 8 Cb 0.00 -1.20 0.01 0.00 -1.10 0.00 0.00 41.96 39.67 2dj0 s TYR 8 CO 0.00 -0.43 -0.19 0.42 -2.51 0.00 0.00 175.55 172.84 2dj0 s ILE 9 N 1.25 1.76 -0.60 -3.49 1.01 -1.26 -4.84 121.20 115.03 2dj0 s ILE 9 Ca -0.03 -0.81 -0.27 0.00 0.00 0.00 0.00 60.65 59.54 2dj0 s ILE 9 Cb -0.14 -1.57 0.03 0.00 0.01 0.00 0.00 42.46 40.79 2dj0 s ILE 9 CO -0.03 0.49 1.15 -0.75 0.00 0.00 0.00 174.94 175.80 2dj0 s LYS 10 N 0.83 3.42 0.95 2.79 2.20 -1.04 -4.84 119.74 124.05 2dj0 s LYS 10 Ca -0.09 0.05 -0.12 0.00 -0.36 0.00 0.00 55.97 55.46 2dj0 s LYS 10 Cb -0.16 -4.05 0.16 0.00 -1.51 0.00 0.00 37.83 32.28 2dj0 s LYS 10 CO -0.00 -1.72 1.09 0.71 -0.36 0.00 0.00 175.35 175.07 2dj0 s TYR 11 N 4.86 2.16 -0.00 4.03 1.51 -1.26 -3.63 117.35 125.02 2dj0 s TYR 11 Ca 0.39 1.15 -0.04 0.00 -1.01 0.00 0.00 57.07 57.55 2dj0 s TYR 11 Cb -0.09 -3.21 -0.00 0.00 -0.11 0.00 0.00 41.96 38.56 2dj0 s TYR 11 CO 0.22 -2.69 0.08 -0.06 -1.11 0.00 0.00 175.55 171.99 2dj0 s PHE 12 N -2.92 0.06 0.85 2.71 0.08 -1.16 -4.85 117.98 112.76 2dj0 s PHE 12 Ca 0.65 -0.14 -0.08 0.00 0.12 0.00 0.00 56.93 57.48 2dj0 s PHE 12 Cb -0.19 -0.07 0.18 0.00 -0.57 0.00 0.00 43.02 42.38 2dj0 s PHE 12 CO 0.58 -0.19 1.17 -0.80 -0.10 0.00 0.00 175.22 175.87 2dj0 s ASN 13 N -1.01 3.60 0.49 1.36 0.01 -1.26 -4.67 114.94 113.46 2dj0 s ASN 13 Ca -0.11 -0.20 0.28 0.00 -0.71 0.00 0.00 52.86 52.12 2dj0 s ASN 13 Cb -0.06 0.06 0.90 0.00 0.41 0.00 0.00 41.25 42.56 2dj0 s ASN 13 CO 0.00 -2.38 1.81 -2.24 -1.51 0.00 0.00 177.10 172.78 2dj0 h ASP 14 N -1.11 0.00 0.00 -1.22 2.03 -1.99 -2.60 116.42 111.53 2dj0 h ASP 14 Ca -0.39 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 55.68 2dj0 h ASP 14 Cb 1.24 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.71 2dj0 h ASP 14 CO 0.35 0.03 -1.70 1.17 -1.03 0.00 0.00 179.24 178.07 2dj0 n LYS 15 N -3.12 0.48 -0.28 4.15 3.00 -1.26 -4.55 118.16 116.57 2dj0 n LYS 15 Ca 0.02 0.20 0.12 0.00 -0.00 0.00 0.00 58.31 58.65 2dj0 n LYS 15 Cb 0.42 -1.32 0.37 0.00 0.00 0.00 0.00 35.03 34.49 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 -0.85 0.84 -1.14 3.15 1.35 -1.96 -0.72 112.91 113.58 2dj0 h THR 16 Ca -0.35 -0.25 0.33 0.00 -0.55 0.00 0.00 66.41 65.60 2dj0 h THR 16 Cb 1.24 0.06 -0.05 0.00 -1.73 0.00 0.00 68.15 67.67 2dj0 h THR 16 CO -0.21 0.13 1.08 -0.29 -0.25 0.00 0.00 175.52 175.98 2dj0 h ILE 17 N 0.72 0.12 0.00 6.82 2.10 -1.70 0.76 117.51 126.32 2dj0 h ILE 17 Ca 0.46 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.40 2dj0 h ILE 17 Cb 0.71 0.17 0.00 0.00 -1.09 0.00 0.00 36.82 36.62 2dj0 h ILE 17 CO -0.22 0.00 -0.28 0.44 -1.08 0.00 0.00 178.15 177.02 2dj0 h ASP 18 N 0.00 0.00 -1.20 2.19 3.32 -1.40 -3.25 116.42 116.08 2dj0 h ASP 18 Ca 0.54 0.00 0.40 0.00 0.02 0.00 0.00 57.03 57.99 2dj0 h ASP 18 Cb 2.69 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 42.10 2dj0 h ASP 18 CO -0.01 0.45 0.75 1.05 -1.72 0.00 0.00 179.24 179.76 2dj0 h GLU 19 N -0.61 0.13 0.17 3.56 -0.00 -1.33 0.19 114.58 116.69 2dj0 h GLU 19 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.36 59.34 2dj0 h GLU 19 Cb 0.28 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.00 2dj0 h GLU 19 CO 0.00 0.09 -0.08 1.49 -0.00 0.00 0.00 179.01 180.51 2dj0 h GLU 20 N 0.14 -0.22 -0.98 1.06 4.22 -1.07 -2.88 114.58 114.85 2dj0 h GLU 20 Ca 0.79 0.01 0.24 0.00 0.08 0.00 0.00 59.36 60.49 2dj0 h GLU 20 Cb 2.30 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 31.47 2dj0 h GLU 20 CO -0.49 -0.15 0.55 -0.07 -2.18 0.00 0.00 179.01 176.67 2dj0 h LEU 21 N -0.31 0.60 -0.64 1.64 3.38 -1.31 0.37 115.31 119.04 2dj0 h LEU 21 Ca -0.02 0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.19 2dj0 h LEU 21 Cb 0.17 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 2dj0 h LEU 21 CO 0.04 0.08 0.24 -0.08 0.09 0.00 0.00 178.44 178.81 2dj0 h GLU 22 N 0.54 0.41 0.00 1.13 4.57 -0.69 1.06 114.58 121.59 2dj0 h GLU 22 Ca 0.63 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.64 2dj0 h GLU 22 Cb 1.19 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 2dj0 h GLU 22 CO -0.49 0.27 -0.81 0.07 -1.18 0.00 0.00 179.01 176.87 2dj0 h ARG 23 N 0.42 0.00 -0.70 1.92 0.11 -0.54 -3.26 114.38 112.34 2dj0 h ARG 23 Ca 0.33 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.17 2dj0 h ARG 23 Cb 0.43 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 31.37 2dj0 h ARG 23 CO -0.33 0.55 0.27 -0.25 0.10 0.00 0.00 179.97 180.30 2dj0 n ASP 24 N -3.17 4.40 0.03 0.08 8.00 0.10 -4.69 116.55 121.30 2dj0 n ASP 24 Ca -0.01 -3.31 -0.10 0.00 0.71 0.00 0.00 54.79 52.07 2dj0 n ASP 24 Cb 0.80 -0.73 -0.07 0.00 -0.02 0.00 0.00 41.12 41.10 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 2.22 -0.43 -0.85 -1.24 1.79 0.11 -2.13 116.57 116.04 2dj0 h LYS 25 Ca 0.29 0.03 0.17 0.00 -2.18 0.00 0.00 60.65 58.96 2dj0 h LYS 25 Cb 2.27 0.10 -0.16 0.00 -1.58 0.00 0.00 32.23 32.86 2dj0 h LYS 25 CO 0.71 -0.28 -0.23 0.07 -1.08 0.00 0.00 179.45 178.64 2dj0 h ARG 26 N -0.44 -0.01 -7.01 3.15 0.11 -1.85 -3.08 114.38 105.25 2dj0 h ARG 26 Ca 0.01 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.59 2dj0 h ARG 26 Cb 0.48 0.00 0.05 0.00 1.11 0.00 0.00 29.97 31.61 2dj0 h ARG 26 CO -0.24 -0.00 0.45 0.08 0.10 0.00 0.00 179.97 180.35 2dj0 s VAL 27 N -6.23 3.36 -0.11 0.08 1.01 -0.80 -4.57 120.40 113.14 2dj0 s VAL 27 Ca -0.15 0.98 -0.23 0.00 0.00 0.00 0.00 61.98 62.58 2dj0 s VAL 27 Cb 0.24 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 2dj0 s VAL 27 CO 0.76 -0.06 0.68 -0.89 0.00 0.00 0.00 175.10 175.59 2dj0 s THR 28 N -1.66 5.04 -0.14 3.92 2.01 -1.26 -4.59 115.64 118.95 2dj0 s THR 28 Ca 0.64 1.37 0.01 0.00 0.31 0.00 0.00 61.69 64.02 2dj0 s THR 28 Cb -0.25 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.27 2dj0 s THR 28 CO 0.30 0.21 -0.17 0.26 -0.69 0.00 0.00 174.62 174.53 2dj0 s TRP 29 N 1.13 2.33 -0.44 4.92 0.52 -1.00 -4.03 118.94 122.37 2dj0 s TRP 29 Ca 0.35 -1.24 -0.11 0.00 0.02 0.00 0.00 56.10 55.11 2dj0 s TRP 29 Cb -0.17 -1.65 0.08 0.00 -1.15 0.00 0.00 33.47 30.58 2dj0 s TRP 29 CO 0.15 -0.63 0.30 -1.50 0.02 0.00 0.00 176.95 175.29 2dj0 s ILE 30 N 1.18 4.51 -0.09 2.03 2.07 -1.22 -2.29 121.20 127.40 2dj0 s ILE 30 Ca -0.00 -1.32 -0.05 0.00 -1.41 0.00 0.00 60.65 57.87 2dj0 s ILE 30 Cb -0.14 -3.75 -0.04 0.00 0.13 0.00 0.00 42.46 38.66 2dj0 s ILE 30 CO -0.07 -0.54 0.12 -0.69 -1.91 0.00 0.00 174.94 171.85 2dj0 s VAL 31 N 1.48 5.22 -0.21 4.00 1.01 -1.19 -2.47 120.40 128.25 2dj0 s VAL 31 Ca 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 2dj0 s VAL 31 Cb -0.24 -3.30 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 2dj0 s VAL 31 CO 0.03 0.55 -0.08 -0.70 0.00 0.00 0.00 175.10 174.90 2dj0 s GLU 32 N -1.21 3.31 -0.52 2.72 2.12 -0.49 -2.85 118.70 121.78 2dj0 s GLU 32 Ca 0.17 -0.67 -0.19 0.00 0.36 0.00 0.00 54.97 54.65 2dj0 s GLU 32 Cb -0.12 -2.90 0.07 0.00 0.26 0.00 0.00 34.13 31.45 2dj0 s GLU 32 CO 0.07 -0.16 0.61 -0.06 -0.54 0.00 0.00 175.26 175.18 2dj0 s PHE 33 N 1.34 3.06 0.27 5.30 0.40 0.34 -2.00 117.98 126.70 2dj0 s PHE 33 Ca 0.04 -0.70 0.07 0.00 -0.60 0.00 0.00 56.93 55.74 2dj0 s PHE 33 Cb -0.14 -3.62 -0.06 0.00 0.51 0.00 0.00 43.02 39.72 2dj0 s PHE 33 CO -0.04 -1.07 -0.08 -0.59 0.70 0.00 0.00 175.22 174.14 2dj0 s PHE 34 N 2.50 1.92 -0.01 0.36 -0.71 -1.20 -1.00 117.98 119.84 2dj0 s PHE 34 Ca 0.13 -0.67 0.06 0.00 -1.04 0.00 0.00 56.93 55.40 2dj0 s PHE 34 Cb -0.21 -1.06 -0.03 0.00 -1.21 0.00 0.00 43.02 40.52 2dj0 s PHE 34 CO 0.10 0.30 -0.18 0.00 -1.34 0.00 0.00 175.22 174.10 2dj0 s ALA 35 N -2.99 2.53 0.33 1.99 0.00 -1.26 -1.34 121.76 121.01 2dj0 s ALA 35 Ca 0.28 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.19 2dj0 s ALA 35 Cb 0.03 -0.80 0.63 0.00 0.00 0.00 0.00 23.12 22.98 2dj0 s ALA 35 CO 0.11 0.56 1.92 -0.97 0.00 0.00 0.00 175.76 177.38 2dj0 h ASN 36 N 5.11 0.80 -0.29 0.00 -1.24 -1.94 0.47 115.58 118.49 2dj0 h ASN 36 Ca -0.46 0.01 -0.09 0.00 0.71 0.00 0.00 56.30 56.47 2dj0 h ASN 36 Cb 1.15 -0.16 -0.05 0.00 0.73 0.00 0.00 38.32 39.98 2dj0 h ASN 36 CO 0.49 0.51 0.11 -2.67 -1.29 0.00 0.00 177.43 174.57 2dj0 n TRP 37 N -4.49 0.98 -4.26 0.67 4.27 -1.26 -4.83 117.44 108.52 2dj0 n TRP 37 Ca 0.13 -0.60 -0.34 0.00 -3.89 0.00 0.00 57.50 52.80 2dj0 n TRP 37 Cb 0.23 -0.37 -0.13 0.00 -1.36 0.00 0.00 31.31 29.68 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 -0.13 4.61 -0.04 -0.67 0.15 0.16 -4.98 113.70 112.80 2dj0 s SER 38 Ca 0.22 -0.23 -0.16 0.00 0.70 0.00 0.00 55.95 56.48 2dj0 s SER 38 Cb 0.17 -1.76 -0.32 0.00 -1.71 0.00 0.00 66.02 62.40 2dj0 s SER 38 CO 0.05 0.10 0.80 0.78 1.20 0.00 0.00 173.24 176.18 2dj0 h ASN 39 N 7.20 0.61 -1.21 5.45 4.21 -1.88 -3.32 115.58 126.64 2dj0 h ASN 39 Ca -0.34 -0.92 0.36 0.00 1.21 0.00 0.00 56.30 56.61 2dj0 h ASN 39 Cb 1.18 -0.20 -0.10 0.00 -1.12 0.00 0.00 38.32 38.08 2dj0 h ASN 39 CO 0.61 1.64 0.79 0.44 -1.29 0.00 0.00 177.43 179.62 2dj0 h ASP 40 N -0.08 0.30 -0.26 5.81 5.19 -1.95 0.38 116.42 125.81 2dj0 h ASP 40 Ca -0.26 0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.21 2dj0 h ASP 40 Cb 1.94 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 41.51 2dj0 h ASP 40 CO 0.18 -0.05 0.00 0.00 -3.12 0.00 0.00 179.24 176.25 2dj0 h GLN 42 N 0.23 0.32 -0.28 0.00 4.20 -0.38 2.05 115.11 121.25 2dj0 h GLN 42 Ca 0.07 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 2dj0 h GLN 42 Cb 0.41 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2dj0 h GLN 42 CO 0.01 0.21 -0.01 0.66 -0.67 0.00 0.00 178.83 179.03 2dj0 h SER 43 N 0.33 0.40 -0.51 1.46 4.64 -1.41 -2.19 113.55 116.26 2dj0 h SER 43 Ca 0.48 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2dj0 h SER 43 Cb 0.86 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2dj0 h SER 43 CO -0.53 0.47 0.00 0.33 -0.87 0.00 0.00 176.83 176.23 2dj0 n PHE 44 N -4.31 0.94 0.34 4.77 7.35 0.13 -4.54 117.46 122.14 2dj0 n PHE 44 Ca 0.01 -0.58 -0.15 0.00 -0.76 0.00 0.00 57.45 55.97 2dj0 n PHE 44 Cb 0.23 -0.12 -0.07 0.00 0.35 0.00 0.00 39.48 39.87 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 3.11 -0.90 -0.20 3.13 0.00 0.37 -2.65 119.26 122.12 2dj0 h ALA 45 Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2dj0 h ALA 45 Cb 1.09 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2dj0 h ALA 45 CO 0.09 -0.87 -0.43 -1.00 0.00 0.00 0.00 179.25 177.05 2dj0 h PRO 46 N -1.18 0.48 -0.54 0.00 0.13 -1.81 -3.05 132.00 126.02 2dj0 h PRO 46 Ca -0.09 -0.25 0.01 0.00 -0.87 0.00 0.00 66.00 64.80 2dj0 h PRO 46 Cb 0.72 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.83 2dj0 h PRO 46 CO 0.15 0.82 0.36 0.82 -0.23 0.00 0.00 178.00 179.92 2dj0 h ILE 47 N 0.39 1.12 -0.38 -3.56 2.04 -1.80 -2.23 117.51 113.09 2dj0 h ILE 47 Ca 0.03 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 2dj0 h ILE 47 Cb 0.92 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2dj0 h ILE 47 CO 0.08 0.13 -0.10 0.22 0.00 0.00 0.00 178.15 178.48 2dj0 h TYR 48 N 0.71 0.84 -0.78 1.37 3.20 -1.36 -2.62 116.97 118.33 2dj0 h TYR 48 Ca 0.20 -0.18 0.02 0.00 3.14 0.00 0.00 58.73 61.91 2dj0 h TYR 48 Cb -0.04 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 37.98 2dj0 h TYR 48 CO -0.00 0.89 0.50 0.00 -1.64 0.00 0.00 178.16 177.91 2dj0 h ALA 49 N 0.83 1.01 -0.09 1.82 0.00 -1.42 -1.38 119.26 120.02 2dj0 h ALA 49 Ca 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dj0 h ALA 49 Cb 0.62 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2dj0 h ALA 49 CO 0.04 0.35 0.05 -0.44 0.00 0.00 0.00 179.25 179.25 2dj0 h ASP 50 N 1.01 0.12 0.00 0.00 3.32 -1.35 -2.13 116.42 117.38 2dj0 h ASP 50 Ca 0.30 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.29 2dj0 h ASP 50 Cb -0.05 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2dj0 h ASP 50 CO -0.09 0.16 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.43 2dj0 h LEU 51 N 0.06 -0.28 0.12 1.55 3.38 -1.17 -1.95 115.31 117.02 2dj0 h LEU 51 Ca 0.03 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2dj0 h LEU 51 Cb 0.07 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2dj0 h LEU 51 CO -0.01 -0.14 -0.42 0.77 0.09 0.00 0.00 178.44 178.73 2dj0 h SER 52 N -0.17 -1.26 -0.79 -0.43 4.64 -1.17 0.37 113.55 114.74 2dj0 h SER 52 Ca 0.04 0.13 0.19 0.00 -0.47 0.00 0.00 61.79 61.67 2dj0 h SER 52 Cb 0.22 0.46 -0.14 0.00 -0.31 0.00 0.00 62.40 62.63 2dj0 h SER 52 CO -0.10 -0.45 0.03 -0.07 -0.87 0.00 0.00 176.83 175.37 2dj0 h LEU 53 N -0.62 -0.33 0.63 5.97 3.38 -1.31 1.13 115.31 124.16 2dj0 h LEU 53 Ca -0.01 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2dj0 h LEU 53 Cb 0.62 0.35 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2dj0 h LEU 53 CO -0.21 -0.19 -0.38 0.11 0.09 0.00 0.00 178.44 177.85 2dj0 h LYS 54 N 0.11 -0.92 -0.68 1.13 1.57 -0.66 -2.03 116.57 115.08 2dj0 h LYS 54 Ca 0.44 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 2dj0 h LYS 54 Cb 0.80 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2dj0 h LYS 54 CO -0.69 -0.62 0.00 0.66 -0.57 0.00 0.00 179.45 178.24 2dj0 n TYR 55 N -5.52 0.30 -2.99 -1.35 4.02 0.06 -4.36 117.16 107.31 2dj0 n TYR 55 Ca -0.13 -0.11 -0.37 0.00 -0.01 0.00 0.00 57.90 57.28 2dj0 n TYR 55 Cb 0.41 -0.12 -0.01 0.00 -0.02 0.00 0.00 39.34 39.60 2dj0 n TYR 55 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2dj0 n ASN 56 N 0.03 5.89 0.06 7.72 4.13 0.38 -4.13 115.26 129.34 2dj0 n ASN 56 Ca 0.05 -3.53 0.00 0.00 1.68 0.00 0.00 54.58 52.78 2dj0 n ASN 56 Cb 0.32 -1.03 0.00 0.00 -1.54 0.00 0.00 39.78 37.52 2dj0 n ASN 56 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dj0 n THR 58 N -3.13 0.00 0.00 0.00 -2.24 -1.26 -4.96 114.28 102.69 2dj0 n THR 58 Ca 0.00 0.61 0.00 0.00 -2.27 0.00 0.00 64.05 62.39 2dj0 n THR 58 Cb 0.00 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 2dj0 n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dj0 n GLY 59 N 1.08 -0.02 3.09 3.38 0.00 -1.26 -5.08 105.19 106.37 2dj0 n GLY 59 Ca 0.00 -0.01 -0.56 0.00 0.00 0.00 0.00 46.02 45.45 2dj0 n GLY 59 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dj0 n LEU 60 N -1.96 0.86 -4.69 0.99 7.94 -1.26 -4.91 117.00 113.97 2dj0 n LEU 60 Ca 0.00 0.82 -0.25 0.00 -1.11 0.00 0.00 56.01 55.47 2dj0 n LEU 60 Cb 0.00 -0.79 -0.08 0.00 0.53 0.00 0.00 43.42 43.08 2dj0 n LEU 60 CO 0.00 -0.71 -0.22 0.20 -1.11 0.00 0.00 177.39 175.55 2dj0 s ASN 61 N 4.01 4.32 -0.09 1.96 0.01 -1.26 -3.98 114.94 119.92 2dj0 s ASN 61 Ca 1.00 -1.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.10 2dj0 s ASN 61 Cb -1.32 -0.51 0.02 0.00 0.41 0.00 0.00 41.25 39.84 2dj0 s ASN 61 CO 0.65 -0.42 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.37 2dj0 s PHE 62 N -2.57 1.43 0.10 2.20 0.40 -1.26 -3.39 117.98 114.89 2dj0 s PHE 62 Ca 0.38 -0.61 0.09 0.00 -0.60 0.00 0.00 56.93 56.18 2dj0 s PHE 62 Cb 0.03 -1.12 -0.03 0.00 0.51 0.00 0.00 43.02 42.40 2dj0 s PHE 62 CO 0.21 -0.38 -0.22 0.20 0.70 0.00 0.00 175.22 175.73 2dj0 s GLY 63 N 1.15 1.28 -0.06 4.36 0.00 -1.03 -2.50 107.32 110.52 2dj0 s GLY 63 Ca -0.05 -1.26 0.06 0.00 0.00 0.00 0.00 44.72 43.47 2dj0 s GLY 63 CO -0.02 -1.25 -0.24 0.54 0.00 0.00 0.00 173.10 172.14 2dj0 s LYS 64 N -1.84 2.42 -0.23 2.90 1.02 -1.24 -1.39 119.74 121.37 2dj0 s LYS 64 Ca 0.08 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 55.20 2dj0 s LYS 64 Cb -0.10 -2.05 0.07 0.00 -0.52 0.00 0.00 37.83 35.23 2dj0 s LYS 64 CO 0.04 0.36 0.03 0.54 -0.92 0.00 0.00 175.35 175.40 2dj0 s VAL 65 N -0.12 0.82 -0.69 3.17 0.11 -0.85 -2.98 120.40 119.86 2dj0 s VAL 65 Ca -0.04 -0.90 -0.26 0.00 -2.93 0.00 0.00 61.98 57.86 2dj0 s VAL 65 Cb -0.13 -1.34 -0.05 0.00 -1.53 0.00 0.00 36.38 33.33 2dj0 s VAL 65 CO 0.03 -0.30 2.01 1.51 -3.33 0.00 0.00 175.10 175.03 2dj0 s ASP 66 N 1.70 4.99 0.22 3.54 1.47 -1.26 -3.23 116.67 124.11 2dj0 s ASP 66 Ca 0.00 0.14 0.07 0.00 1.18 0.00 0.00 52.55 53.94 2dj0 s ASP 66 Cb -0.17 -2.54 0.18 0.00 -0.34 0.00 0.00 42.92 40.05 2dj0 s ASP 66 CO -0.12 -2.68 1.50 -0.37 0.68 0.00 0.00 175.17 174.18 2dj0 h VAL 67 N 7.18 1.48 -1.16 2.11 -1.51 -1.47 -2.98 116.25 119.90 2dj0 h VAL 67 Ca -0.14 -2.38 0.35 0.00 -1.23 0.00 0.00 66.70 63.31 2dj0 h VAL 67 Cb 1.12 2.28 -0.12 0.00 -2.13 0.00 0.00 31.29 32.44 2dj0 h VAL 67 CO 1.19 0.69 0.73 1.23 -1.23 0.00 0.00 177.57 180.18 2dj0 h GLY 68 N 1.93 1.40 0.33 5.19 0.00 -1.86 -1.25 103.07 108.82 2dj0 h GLY 68 Ca -0.02 -0.17 -0.37 0.00 0.00 0.00 0.00 47.33 46.77 2dj0 h GLY 68 CO 0.10 -0.32 -2.18 -2.13 0.00 0.00 0.00 176.54 172.01 2dj0 n ARG 69 N -4.73 0.71 -3.00 4.80 0.63 -1.22 -4.66 116.66 109.18 2dj0 n ARG 69 Ca 0.32 0.23 -0.44 0.00 -0.92 0.00 0.00 57.85 57.03 2dj0 n ARG 69 Cb 1.15 -1.63 -0.01 0.00 0.45 0.00 0.00 32.46 32.43 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 -2.54 3.53 0.20 -0.14 1.51 -0.47 -4.83 117.35 114.61 2dj0 s TYR 70 Ca -0.28 -2.06 -0.10 0.00 -1.01 0.00 0.00 57.07 53.62 2dj0 s TYR 70 Cb 0.08 -4.24 0.14 0.00 -0.11 0.00 0.00 41.96 37.82 2dj0 s TYR 70 CO 0.69 -1.35 1.79 1.79 -1.11 0.00 0.00 175.55 177.36 2dj0 h THR 71 N 4.76 1.24 -1.02 -0.71 1.35 -1.82 -2.57 112.91 114.13 2dj0 h THR 71 Ca 0.27 -0.66 0.28 0.00 -0.55 0.00 0.00 66.41 65.75 2dj0 h THR 71 Cb 0.90 0.31 -0.13 0.00 -1.73 0.00 0.00 68.15 67.51 2dj0 h THR 71 CO 1.18 0.28 0.61 0.44 -0.25 0.00 0.00 175.52 177.77 2dj0 h ASP 72 N 1.03 0.58 0.27 5.36 3.32 -1.90 -2.32 116.42 122.76 2dj0 h ASP 72 Ca 0.25 0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 2dj0 h ASP 72 Cb 0.11 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2dj0 h ASP 72 CO -0.03 0.00 -0.13 0.58 -1.72 0.00 0.00 179.24 177.94 2dj0 h VAL 73 N 0.45 0.00 -0.16 -1.35 2.07 -1.81 -2.96 116.25 112.49 2dj0 h VAL 73 Ca 0.68 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.91 2dj0 h VAL 73 Cb 1.47 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2dj0 h VAL 73 CO -0.50 0.00 -0.10 -1.54 0.02 0.00 0.00 177.57 175.45 2dj0 n SER 74 N -3.80 -0.17 -0.34 0.57 3.41 -0.92 0.18 113.62 112.55 2dj0 n SER 74 Ca -0.04 0.83 0.20 0.00 -0.26 0.00 0.00 58.87 59.60 2dj0 n SER 74 Cb 0.14 -0.31 0.44 0.00 -0.26 0.00 0.00 64.21 64.22 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 0.50 -0.02 6.66 2.02 -1.06 0.82 112.91 121.84 2dj0 h THR 75 Ca 0.03 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 2dj0 h THR 75 Cb 0.07 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 2dj0 h THR 75 CO -0.15 0.09 -0.16 -0.09 0.37 0.00 0.00 175.52 175.58 2dj0 h ARG 76 N 0.49 0.03 -0.70 6.66 2.43 0.21 -2.30 114.38 121.21 2dj0 h ARG 76 Ca 0.64 -0.01 -0.41 0.00 -0.81 0.00 0.00 59.98 59.39 2dj0 h ARG 76 Cb 1.38 -0.01 -0.24 0.00 -0.42 0.00 0.00 29.97 30.69 2dj0 h ARG 76 CO -0.43 0.20 0.22 0.66 -1.51 0.00 0.00 179.97 179.10 2dj0 n TYR 77 N -4.33 2.24 -3.85 2.20 4.02 0.25 -4.91 117.16 112.77 2dj0 n TYR 77 Ca -0.02 -2.01 -0.30 0.00 -0.01 0.00 0.00 57.90 55.55 2dj0 n TYR 77 Cb 0.24 -0.78 -0.01 0.00 -0.02 0.00 0.00 39.34 38.76 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 -1.05 -3.73 -4.39 -0.72 4.76 -0.78 -4.95 118.16 107.30 2dj0 n LYS 78 Ca 0.48 0.45 -0.26 0.00 -2.87 0.00 0.00 58.31 56.10 2dj0 n LYS 78 Cb 1.14 -5.21 -0.11 0.00 -1.84 0.00 0.00 35.03 29.02 2dj0 n LYS 78 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2dj0 s VAL 79 N -3.15 2.65 0.11 -0.18 1.01 0.94 -4.96 120.40 116.82 2dj0 s VAL 79 Ca 0.61 -1.97 0.08 0.00 0.00 0.00 0.00 61.98 60.69 2dj0 s VAL 79 Cb -0.32 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2dj0 s VAL 79 CO 0.75 -0.16 -0.12 -0.55 0.00 0.00 0.00 175.10 175.02 2dj0 s SER 80 N -2.87 4.25 -0.43 3.32 0.15 -1.26 -2.36 113.70 114.49 2dj0 s SER 80 Ca 0.24 -0.45 0.04 0.00 0.70 0.00 0.00 55.95 56.48 2dj0 s SER 80 Cb -0.08 -0.75 0.46 0.00 -1.71 0.00 0.00 66.02 63.95 2dj0 s SER 80 CO 0.12 0.17 1.52 0.35 1.20 0.00 0.00 173.24 176.61 2dj0 n THR 81 N 0.69 2.94 -4.59 6.45 -2.24 -1.26 -4.86 114.28 111.41 2dj0 n THR 81 Ca -0.14 -3.64 -0.33 0.00 -2.27 0.00 0.00 64.05 57.67 2dj0 n THR 81 Cb 0.53 -1.09 -0.11 0.00 -2.10 0.00 0.00 70.33 67.55 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 -2.87 4.56 0.00 3.42 0.15 -1.26 -4.92 113.70 112.77 2dj0 s SER 82 Ca 0.56 -0.09 0.09 0.00 0.70 0.00 0.00 55.95 57.21 2dj0 s SER 82 Cb 0.45 -1.09 0.55 0.00 -1.71 0.00 0.00 66.02 64.22 2dj0 s SER 82 CO 0.02 0.33 0.99 -0.81 1.20 0.00 0.00 173.24 174.97 2dj0 n PRO 83 N 1.96 0.49 -0.10 5.44 -0.04 -1.26 -3.09 135.00 138.40 2dj0 n PRO 83 Ca -0.17 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.08 2dj0 n PRO 83 Cb 0.53 -1.30 -0.07 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.80 1.57 -4.31 1.53 4.77 -1.26 -5.02 117.00 113.49 2dj0 n LEU 84 Ca 0.07 0.27 -0.36 0.00 -0.03 0.00 0.00 56.01 55.96 2dj0 n LEU 84 Cb 0.03 -0.65 0.06 0.00 -2.33 0.00 0.00 43.42 40.53 2dj0 n LEU 84 CO 0.05 0.36 -0.41 1.07 -1.33 0.00 0.00 177.39 177.13 2dj0 n THR 85 N -4.02 0.77 -1.39 -5.08 5.66 -1.18 -4.89 114.28 104.16 2dj0 n THR 85 Ca -0.39 -0.41 -0.23 0.00 -3.05 0.00 0.00 64.05 59.97 2dj0 n THR 85 Cb 0.76 -0.42 0.14 0.00 -1.55 0.00 0.00 70.33 69.26 2dj0 n THR 85 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2dj0 n LYS 86 N 0.27 2.40 -1.57 1.09 2.85 -1.26 -4.54 118.16 117.39 2dj0 n LYS 86 Ca 0.06 -3.24 -0.23 0.00 -1.05 0.00 0.00 58.31 53.85 2dj0 n LYS 86 Cb 0.51 -2.14 0.07 0.00 -0.65 0.00 0.00 35.03 32.83 2dj0 n LYS 86 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2dj0 n GLN 87 N -1.04 2.98 -3.67 -1.58 1.13 -1.26 -4.79 117.38 109.15 2dj0 n GLN 87 Ca 0.53 -3.71 -0.08 0.00 -1.94 0.00 0.00 57.00 51.80 2dj0 n GLN 87 Cb 1.17 -2.19 -0.09 0.00 0.11 0.00 0.00 30.24 29.24 2dj0 n GLN 87 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2dj0 s LEU 88 N -3.60 -0.56 0.00 1.08 1.43 -1.26 -4.29 118.68 111.47 2dj0 s LEU 88 Ca 0.54 1.11 -0.02 0.00 -1.03 0.00 0.00 54.13 54.72 2dj0 s LEU 88 Cb 0.44 1.62 0.03 0.00 0.03 0.00 0.00 46.19 48.31 2dj0 s LEU 88 CO 0.02 -0.22 0.12 -0.81 0.23 0.00 0.00 176.35 175.69 2dj0 n PRO 89 N 4.86 -1.26 -3.72 1.29 -0.04 -1.26 -4.78 135.00 130.09 2dj0 n PRO 89 Ca -0.16 -0.20 -0.13 0.00 -0.04 0.00 0.00 63.50 62.97 2dj0 n PRO 89 Cb 0.53 -0.19 -0.09 0.00 -0.04 0.00 0.00 33.50 33.71 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 -1.22 0.01 -0.05 0.52 2.01 -0.17 -4.72 115.64 112.01 2dj0 s THR 90 Ca 0.08 -0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.07 2dj0 s THR 90 Cb -0.01 -0.62 -0.00 0.00 0.01 0.00 0.00 72.50 71.87 2dj0 s THR 90 CO 0.06 -0.03 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.02 2dj0 s LEU 91 N -0.02 1.94 -0.03 4.42 1.43 0.62 -0.50 118.68 126.53 2dj0 s LEU 91 Ca -0.02 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2dj0 s LEU 91 Cb -0.03 -1.02 0.03 0.00 0.03 0.00 0.00 46.19 45.20 2dj0 s LEU 91 CO 0.01 0.16 0.05 -0.63 0.23 0.00 0.00 176.35 176.18 2dj0 s ILE 92 N 0.01 -0.09 -0.17 -0.59 1.01 -1.13 0.05 121.20 120.30 2dj0 s ILE 92 Ca -0.04 0.32 -0.16 0.00 0.00 0.00 0.00 60.65 60.77 2dj0 s ILE 92 Cb -0.12 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.19 2dj0 s ILE 92 CO 0.02 0.13 0.39 -0.22 0.00 0.00 0.00 174.94 175.26 2dj0 s LEU 93 N 1.61 4.22 -0.32 2.97 2.96 -0.79 -3.16 118.68 126.16 2dj0 s LEU 93 Ca -0.02 0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 54.41 2dj0 s LEU 93 Cb -0.12 -2.52 0.02 0.00 0.50 0.00 0.00 46.19 44.07 2dj0 s LEU 93 CO -0.03 0.00 0.11 -0.36 -1.32 0.00 0.00 176.35 174.75 2dj0 s PHE 94 N 0.85 3.21 -0.57 5.38 0.08 -0.97 -2.57 117.98 123.39 2dj0 s PHE 94 Ca 0.20 -1.17 0.04 0.00 0.12 0.00 0.00 56.93 56.13 2dj0 s PHE 94 Cb -0.14 -2.29 0.15 0.00 -0.57 0.00 0.00 43.02 40.17 2dj0 s PHE 94 CO 0.07 -0.65 0.37 -0.65 -0.10 0.00 0.00 175.22 174.26 2dj0 s GLN 95 N 1.47 1.92 0.00 0.44 -0.21 -1.16 -2.38 119.66 119.74 2dj0 s GLN 95 Ca 0.01 -2.76 0.00 0.00 0.02 0.00 0.00 55.36 52.63 2dj0 s GLN 95 Cb -0.18 -2.93 0.00 0.00 1.00 0.00 0.00 33.01 30.89 2dj0 s GLN 95 CO 0.03 -1.23 0.00 0.41 -2.12 0.00 0.00 175.29 172.38 2dj0 n GLY 96 N 2.66 0.66 3.80 3.09 0.00 -1.16 -4.29 105.19 109.94 2dj0 n GLY 96 Ca 0.15 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.37 -0.50 3.24 -0.02 0.00 -1.26 -4.96 105.19 101.31 2dj0 n GLY 97 Ca 0.00 0.19 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 -6.50 0.35 -0.94 1.61 -2.85 -1.26 -5.08 119.74 105.07 2dj0 s LYS 98 Ca 0.62 0.81 -0.25 0.00 -1.00 0.00 0.00 55.97 56.15 2dj0 s LYS 98 Cb -0.31 0.03 -0.11 0.00 -2.06 0.00 0.00 37.83 35.37 2dj0 s LYS 98 CO 0.77 -0.18 2.13 -2.00 0.10 0.00 0.00 175.35 176.17 2dj0 s GLU 99 N 1.65 2.00 0.20 1.78 2.12 -1.26 -3.01 118.70 122.18 2dj0 s GLU 99 Ca -0.08 -0.19 -0.11 0.00 0.36 0.00 0.00 54.97 54.96 2dj0 s GLU 99 Cb -0.09 -4.98 0.14 0.00 0.26 0.00 0.00 34.13 29.46 2dj0 s GLU 99 CO -0.12 -4.18 1.88 0.00 -0.54 0.00 0.00 175.26 172.29 2dj0 h ALA 100 N 11.57 0.91 -2.69 6.30 0.00 -1.84 -3.47 119.26 130.05 2dj0 h ALA 100 Ca 0.07 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.04 2dj0 h ALA 100 Cb 0.99 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 2dj0 h ALA 100 CO 1.11 0.34 0.37 0.00 0.00 0.00 0.00 179.25 181.06 2dj0 s MET 101 N -6.14 1.56 -0.25 0.00 0.00 -1.25 -5.05 119.30 108.17 2dj0 s MET 101 Ca -0.13 -0.89 -0.26 0.00 0.00 0.00 0.00 55.69 54.41 2dj0 s MET 101 Cb 0.15 0.51 0.08 0.00 0.00 0.00 0.00 34.83 35.56 2dj0 s MET 101 CO 0.77 -0.72 0.76 -0.98 0.00 0.00 0.00 175.02 174.85 2dj0 s ARG 102 N -3.37 0.82 -0.04 3.16 1.70 -1.26 -1.88 118.95 118.08 2dj0 s ARG 102 Ca 0.13 0.86 0.06 0.00 -0.47 0.00 0.00 55.73 56.31 2dj0 s ARG 102 Cb -0.04 0.40 -0.01 0.00 -0.57 0.00 0.00 34.95 34.73 2dj0 s ARG 102 CO 0.05 -0.12 -0.21 1.03 -1.08 0.00 0.00 175.30 174.97 2dj0 s ARG 103 N 0.17 2.01 0.95 3.89 3.00 0.11 -3.28 118.95 125.80 2dj0 s ARG 103 Ca -0.01 -0.76 -0.12 0.00 0.00 0.00 0.00 55.73 54.85 2dj0 s ARG 103 Cb -0.04 -1.79 0.16 0.00 0.00 0.00 0.00 34.95 33.28 2dj0 s ARG 103 CO 0.01 0.36 1.09 -1.25 0.00 0.00 0.00 175.30 175.51 2dj0 s PRO 104 N -0.20 0.80 0.34 3.54 0.04 -1.26 -0.27 135.00 137.98 2dj0 s PRO 104 Ca 0.00 0.66 -0.20 0.00 0.04 0.00 0.00 61.00 61.50 2dj0 s PRO 104 Cb -0.11 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 2dj0 s PRO 104 CO 0.02 -2.51 0.84 1.14 0.04 0.00 0.00 177.00 176.53 2dj0 s GLN 105 N -4.95 4.24 0.02 4.56 -2.07 -1.21 -4.83 119.66 115.43 2dj0 s GLN 105 Ca 0.64 0.99 -0.19 0.00 -1.82 0.00 0.00 55.36 54.98 2dj0 s GLN 105 Cb -0.18 -2.51 -0.06 0.00 -1.09 0.00 0.00 33.01 29.17 2dj0 s GLN 105 CO 0.57 0.17 0.56 0.42 -1.32 0.00 0.00 175.29 175.69 2dj0 s ILE 106 N -1.88 4.88 0.61 3.63 -1.09 -1.26 -0.84 121.20 125.24 2dj0 s ILE 106 Ca 0.54 1.18 0.00 0.00 -2.23 0.00 0.00 60.65 60.14 2dj0 s ILE 106 Cb -0.13 -3.89 0.07 0.00 -1.58 0.00 0.00 42.46 36.92 2dj0 s ILE 106 CO 0.18 0.48 0.86 -0.62 -1.23 0.00 0.00 174.94 174.60 2dj0 s ASP 107 N -0.54 4.96 0.21 3.58 2.15 0.67 -4.86 116.67 122.83 2dj0 s ASP 107 Ca 0.29 -0.12 -0.15 0.00 0.43 0.00 0.00 52.55 53.00 2dj0 s ASP 107 Cb -0.18 -0.58 0.23 0.00 -0.30 0.00 0.00 42.92 42.08 2dj0 s ASP 107 CO 0.17 -1.40 1.61 0.11 -0.17 0.00 0.00 175.17 175.50 2dj0 h LYS 108 N -0.15 -0.03 -1.93 4.34 1.57 -1.98 0.22 116.57 118.62 2dj0 h LYS 108 Ca -0.40 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.33 2dj0 h LYS 108 Cb 1.29 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 2dj0 h LYS 108 CO 0.49 -0.02 0.06 1.63 -0.57 0.00 0.00 179.45 181.03 2dj0 n LYS 109 N -5.45 1.15 -4.41 3.15 5.02 -1.26 -4.78 118.16 111.59 2dj0 n LYS 109 Ca 0.07 -0.27 -0.37 0.00 -2.02 0.00 0.00 58.31 55.72 2dj0 n LYS 109 Cb 0.35 -1.12 -0.09 0.00 -0.02 0.00 0.00 35.03 34.15 2dj0 n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dj0 n GLY 110 N 1.34 -0.26 3.51 0.72 0.00 0.78 -4.91 105.19 106.37 2dj0 n GLY 110 Ca 0.06 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -7.27 3.24 -0.35 1.61 0.52 -1.23 -4.80 118.95 110.68 2dj0 s ARG 111 Ca 0.42 -0.56 -0.29 0.00 -0.52 0.00 0.00 55.73 54.78 2dj0 s ARG 111 Cb -0.24 -2.73 -0.01 0.00 0.52 0.00 0.00 34.95 32.49 2dj0 s ARG 111 CO 1.00 0.41 1.59 0.00 0.02 0.00 0.00 175.30 178.32 2dj0 s ALA 112 N -0.11 3.02 -0.25 2.13 0.00 -1.26 -0.24 121.76 125.05 2dj0 s ALA 112 Ca 0.01 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.79 2dj0 s ALA 112 Cb -0.13 -3.95 -0.03 0.00 0.00 0.00 0.00 23.12 19.00 2dj0 s ALA 112 CO 0.03 -2.40 1.87 0.08 0.00 0.00 0.00 175.76 175.33 2dj0 s VAL 113 N 5.94 3.38 -0.91 0.00 1.01 -0.02 -4.81 120.40 124.99 2dj0 s VAL 113 Ca 0.70 0.40 -0.30 0.00 0.00 0.00 0.00 61.98 62.79 2dj0 s VAL 113 Cb -0.19 -3.45 -0.20 0.00 0.00 0.00 0.00 36.38 32.53 2dj0 s VAL 113 CO 0.32 -0.25 2.49 -0.24 0.00 0.00 0.00 175.10 177.43 2dj0 n SER 114 N 9.96 0.30 -4.16 3.32 2.88 -1.26 -4.38 113.62 120.28 2dj0 n SER 114 Ca 0.23 0.20 -0.33 0.00 -1.33 0.00 0.00 58.87 57.64 2dj0 n SER 114 Cb 0.45 -0.86 -0.16 0.00 -0.75 0.00 0.00 64.21 62.89 2dj0 n SER 114 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 2dj0 s TRP 115 N 8.25 2.75 -0.03 0.66 -0.00 -1.26 -5.07 118.94 124.22 2dj0 s TRP 115 Ca 1.26 -1.45 -0.30 0.00 -0.00 0.00 0.00 56.10 55.62 2dj0 s TRP 115 Cb -1.19 -1.89 -0.06 0.00 -0.00 0.00 0.00 33.47 30.33 2dj0 s TRP 115 CO 0.47 -0.69 1.60 0.99 -0.00 0.00 0.00 176.95 179.32 2dj0 s THR 116 N 1.08 3.55 -1.01 5.86 2.01 -1.26 -4.87 115.64 121.01 2dj0 s THR 116 Ca -0.00 0.76 -0.23 0.00 0.31 0.00 0.00 61.69 62.53 2dj0 s THR 116 Cb -0.14 -3.49 0.05 0.00 0.01 0.00 0.00 72.50 68.93 2dj0 s THR 116 CO -0.07 -0.05 1.44 -0.36 -0.69 0.00 0.00 174.62 174.89 2dj0 s PHE 117 N 3.61 2.53 0.06 4.92 0.08 -1.26 -4.79 117.98 123.13 2dj0 s PHE 117 Ca 0.71 -0.81 -0.02 0.00 0.12 0.00 0.00 56.93 56.93 2dj0 s PHE 117 Cb -0.33 -4.69 -0.04 0.00 -0.57 0.00 0.00 43.02 37.39 2dj0 s PHE 117 CO 0.29 -1.94 0.00 -1.54 -0.10 0.00 0.00 175.22 171.93 2dj0 s SER 118 N 4.92 0.43 0.05 1.36 1.04 -1.26 -4.79 113.70 115.45 2dj0 s SER 118 Ca 0.45 -0.98 -0.23 0.00 0.48 0.00 0.00 55.95 55.67 2dj0 s SER 118 Cb -0.00 0.22 -0.12 0.00 0.10 0.00 0.00 66.02 66.22 2dj0 s SER 118 CO -0.09 -0.63 1.36 -0.33 0.98 0.00 0.00 173.24 174.53 2dj0 h GLU 119 N 3.08 -0.71 -0.98 4.02 5.08 -1.93 -0.42 114.58 122.72 2dj0 h GLU 119 Ca -0.34 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.17 2dj0 h GLU 119 Cb 1.15 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 30.43 2dj0 h GLU 119 CO 0.64 -0.47 -0.53 1.05 -1.00 0.00 0.00 179.01 178.70 2dj0 h GLU 120 N -0.73 -0.01 0.11 2.33 4.11 -1.98 0.42 114.58 118.83 2dj0 h GLU 120 Ca -0.06 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.39 2dj0 h GLU 120 Cb 0.60 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 2dj0 h GLU 120 CO 0.03 -0.01 -0.37 -0.91 0.07 0.00 0.00 179.01 177.82 2dj0 h ASN 121 N -0.01 -1.08 0.13 3.06 4.21 -1.86 -0.01 115.58 120.01 2dj0 h ASN 121 Ca 0.21 0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.84 2dj0 h ASN 121 Cb 0.47 0.41 -0.02 0.00 -1.12 0.00 0.00 38.32 38.06 2dj0 h ASN 121 CO -0.94 -0.45 -0.26 0.58 -1.29 0.00 0.00 177.43 175.07 2dj0 h VAL 122 N -0.60 0.00 -0.54 2.81 2.07 0.71 0.23 116.25 120.93 2dj0 h VAL 122 Ca 0.03 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.71 2dj0 h VAL 122 Cb 0.63 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2dj0 h VAL 122 CO -0.22 0.00 0.67 0.40 0.02 0.00 0.00 177.57 178.44 2dj0 h ILE 123 N -0.43 0.22 0.04 4.57 2.04 -0.19 0.47 117.51 124.24 2dj0 h ILE 123 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 2dj0 h ILE 123 Cb 0.40 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2dj0 h ILE 123 CO -0.10 0.00 -0.02 -0.09 0.00 0.00 0.00 178.15 177.94 2dj0 h ARG 124 N 0.00 -0.05 0.43 2.37 9.65 0.62 -1.73 114.38 125.67 2dj0 h ARG 124 Ca 0.26 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.12 2dj0 h ARG 124 Cb 1.60 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.19 2dj0 h ARG 124 CO -0.00 -0.04 -0.21 0.93 2.80 0.00 0.00 179.97 183.46 2dj0 h GLU 125 N -0.90 -0.56 0.00 0.20 4.39 0.32 -2.76 114.58 115.27 2dj0 h GLU 125 Ca -0.01 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2dj0 h GLU 125 Cb 0.04 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2dj0 h GLU 125 CO 0.01 -0.30 -0.10 0.74 -1.16 0.00 0.00 179.01 178.20 2dj0 h PHE 126 N -0.72 0.00 -6.24 4.33 -1.00 -0.30 -3.47 116.94 109.55 2dj0 h PHE 126 Ca -0.06 0.00 -0.45 0.00 2.81 0.00 0.00 57.97 60.27 2dj0 h PHE 126 Cb 0.52 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.08 2dj0 h PHE 126 CO -0.01 0.10 -0.83 0.09 -1.61 0.00 0.00 178.31 176.05 2dj0 n ASN 127 N -3.45 -1.68 -0.04 2.17 4.13 -0.65 -4.88 115.26 110.86 2dj0 n ASN 127 Ca -0.01 -0.86 -0.10 0.00 1.68 0.00 0.00 54.58 55.28 2dj0 n ASN 127 Cb 0.25 -3.76 -0.04 0.00 -1.54 0.00 0.00 39.78 34.70 2dj0 n ASN 127 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2dj0 h LEU 128 N -1.89 0.22 -0.97 3.41 3.38 -1.81 -2.60 115.31 115.05 2dj0 h LEU 128 Ca -0.61 -0.01 0.26 0.00 0.09 0.00 0.00 57.88 57.60 2dj0 h LEU 128 Cb 1.37 -0.06 -0.18 0.00 0.09 0.00 0.00 40.66 41.88 2dj0 h LEU 128 CO 0.60 0.17 0.00 0.78 0.09 0.00 0.00 178.44 180.09 2dj0 h ASN 129 N 0.25 -0.51 -0.16 -0.43 2.35 -1.90 0.39 115.58 115.58 2dj0 h ASN 129 Ca 0.07 0.28 -0.05 0.00 -0.55 0.00 0.00 56.30 56.05 2dj0 h ASN 129 Cb -0.02 0.49 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 2dj0 h ASN 129 CO -0.01 -0.34 -0.08 -0.33 -1.65 0.00 0.00 177.43 175.01 2dj0 h GLU 130 N 0.02 0.33 -0.34 0.81 4.39 -1.85 -3.25 114.58 114.70 2dj0 h GLU 130 Ca 0.58 -0.15 0.07 0.00 0.34 0.00 0.00 59.36 60.20 2dj0 h GLU 130 Cb 1.15 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.71 2dj0 h GLU 130 CO -0.91 0.66 -0.30 -0.07 -1.16 0.00 0.00 179.01 177.22 2dj0 h LEU 131 N -0.00 -0.98-10.79 1.33 3.38 0.07 -3.42 115.31 104.90 2dj0 h LEU 131 Ca 0.03 0.17 -0.44 0.00 0.09 0.00 0.00 57.88 57.73 2dj0 h LEU 131 Cb 0.56 0.46 0.17 0.00 0.09 0.00 0.00 40.66 41.94 2dj0 h LEU 131 CO 0.02 -0.31 0.40 -0.94 0.09 0.00 0.00 178.44 177.70 2dj0 s SER 132 N -5.05 2.89 0.87 -0.43 1.04 -0.26 -5.09 113.70 107.67 2dj0 s SER 132 Ca -0.15 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2dj0 s SER 132 Cb 0.13 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.89 2dj0 s SER 132 CO 0.68 -2.87 0.00 0.61 0.98 0.00 0.00 173.24 172.63 2dj0 n GLY 133 N -3.50 -0.88 3.73 7.32 0.00 -1.26 -4.90 105.19 105.69 2dj0 n GLY 133 Ca 0.15 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.73 1.45 0.46 1.61 0.04 -1.26 -4.93 135.00 129.64 2dj0 s PRO 134 Ca 0.00 0.88 -0.22 0.00 0.04 0.00 0.00 61.00 61.70 2dj0 s PRO 134 Cb 0.00 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.61 2dj0 s PRO 134 CO 0.00 -2.13 0.79 0.43 0.04 0.00 0.00 177.00 176.13 2dj0 n SER 135 N -3.81 0.18 -4.81 6.66 7.64 -1.26 -4.94 113.62 113.27 2dj0 n SER 135 Ca 0.07 0.93 -0.32 0.00 1.01 0.00 0.00 58.87 60.57 2dj0 n SER 135 Cb 0.55 -1.25 0.04 0.00 -1.01 0.00 0.00 64.21 62.53 2dj0 n SER 135 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dj0 s SER 136 N -0.93 5.48 0.00 6.43 0.01 -1.26 -5.31 113.70 118.12 2dj0 s SER 136 Ca 0.65 1.69 0.00 0.00 1.31 0.00 0.00 55.95 59.60 2dj0 s SER 136 Cb -0.54 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.18 2dj0 s SER 136 CO 0.56 -1.37 0.00 0.61 0.41 0.00 0.00 173.24 173.45