#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj0 s SER 2 N 0.00 6.26 0.67 1.61 1.04 -1.26 -4.95 113.70 117.07 2dj0 s SER 2 Ca 0.00 1.20 -0.16 0.00 0.48 0.00 0.00 55.95 57.47 2dj0 s SER 2 Cb 0.00 -2.53 -0.13 0.00 0.10 0.00 0.00 66.02 63.45 2dj0 s SER 2 CO 0.00 -1.43 -0.42 -1.20 0.98 0.00 0.00 173.24 171.17 2dj0 n SER 3 N 9.01 -4.33 -3.63 7.02 7.64 -1.26 -3.25 113.62 124.82 2dj0 n SER 3 Ca 0.19 0.37 -0.23 0.00 1.01 0.00 0.00 58.87 60.21 2dj0 n SER 3 Cb 0.47 -0.72 0.01 0.00 -1.01 0.00 0.00 64.21 62.97 2dj0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dj0 n GLY 4 N 2.67 -1.18 3.63 0.23 0.00 -1.26 -5.00 105.19 104.30 2dj0 n GLY 4 Ca 0.03 0.51 -0.11 0.00 0.00 0.00 0.00 46.02 46.45 2dj0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dj0 s SER 5 N -3.16 -0.81 0.16 1.61 0.15 -1.20 -5.18 113.70 105.27 2dj0 s SER 5 Ca 0.17 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.27 2dj0 s SER 5 Cb -0.07 1.42 -0.04 0.00 -1.71 0.00 0.00 66.02 65.61 2dj0 s SER 5 CO 0.86 -0.24 0.04 -0.55 1.20 0.00 0.00 173.24 174.55 2dj0 s SER 6 N 0.88 0.80 -0.70 5.45 0.15 -1.26 -4.93 113.70 114.09 2dj0 s SER 6 Ca -0.04 -1.21 -0.10 0.00 0.70 0.00 0.00 55.95 55.30 2dj0 s SER 6 Cb -0.05 0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.48 2dj0 s SER 6 CO -0.08 -0.66 0.45 0.61 1.20 0.00 0.00 173.24 174.76 2dj0 n GLY 7 N -0.20 -0.81 3.15 9.45 0.00 -1.26 -4.93 105.19 110.59 2dj0 n GLY 7 Ca -0.05 0.36 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.19 1.70 -0.00 1.61 1.13 -1.26 -5.13 117.35 112.22 2dj0 s TYR 8 Ca 0.14 -0.45 0.01 0.00 -1.41 0.00 0.00 57.07 55.36 2dj0 s TYR 8 Cb -0.08 -1.14 -0.00 0.00 -1.10 0.00 0.00 41.96 39.64 2dj0 s TYR 8 CO 0.66 -0.13 -0.04 0.42 -2.51 0.00 0.00 175.55 173.95 2dj0 s ILE 9 N -0.08 0.33 -0.67 -3.49 1.01 -1.26 -4.82 121.20 112.22 2dj0 s ILE 9 Ca -0.01 -0.23 -0.26 0.00 0.00 0.00 0.00 60.65 60.15 2dj0 s ILE 9 Cb -0.10 -0.29 0.04 0.00 0.01 0.00 0.00 42.46 42.12 2dj0 s ILE 9 CO 0.01 0.06 1.13 -0.75 0.00 0.00 0.00 174.94 175.39 2dj0 s LYS 10 N -0.19 3.23 0.23 2.79 2.20 -1.19 -4.88 119.74 121.94 2dj0 s LYS 10 Ca 0.01 -0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 2dj0 s LYS 10 Cb -0.02 -4.15 -0.09 0.00 -1.51 0.00 0.00 37.83 32.06 2dj0 s LYS 10 CO -0.00 -1.90 1.17 0.71 -0.36 0.00 0.00 175.35 174.98 2dj0 s TYR 11 N 4.91 3.44 0.07 4.03 2.02 -1.26 -2.88 117.35 127.68 2dj0 s TYR 11 Ca 0.32 1.52 0.05 0.00 -0.37 0.00 0.00 57.07 58.59 2dj0 s TYR 11 Cb -0.11 -3.40 -0.04 0.00 -0.40 0.00 0.00 41.96 38.01 2dj0 s TYR 11 CO 0.16 -1.03 -0.04 -0.06 -1.57 0.00 0.00 175.55 173.00 2dj0 s PHE 12 N -0.57 2.90 0.67 2.71 0.08 0.80 -4.86 117.98 119.70 2dj0 s PHE 12 Ca 0.49 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.48 2dj0 s PHE 12 Cb -0.33 -1.52 0.13 0.00 -0.57 0.00 0.00 43.02 40.73 2dj0 s PHE 12 CO 0.40 0.44 0.92 0.09 -0.10 0.00 0.00 175.22 176.97 2dj0 n ASN 13 N 0.84 1.27 0.29 1.36 3.02 -1.26 -4.46 115.26 116.31 2dj0 n ASN 13 Ca -0.13 -2.06 0.18 0.00 -0.03 0.00 0.00 54.58 52.54 2dj0 n ASN 13 Cb 0.52 -0.59 0.79 0.00 -0.61 0.00 0.00 39.78 39.89 2dj0 n ASN 13 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2dj0 h ASP 14 N -0.53 0.00 0.00 6.41 3.04 -2.00 -2.32 116.42 121.02 2dj0 h ASP 14 Ca -0.30 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.49 2dj0 h ASP 14 Cb 1.13 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.42 2dj0 h ASP 14 CO 0.33 0.01 -0.33 1.17 -2.04 0.00 0.00 179.24 178.38 2dj0 n LYS 15 N -3.10 0.17 -0.39 4.15 3.00 -1.26 -4.58 118.16 116.15 2dj0 n LYS 15 Ca -0.00 0.07 0.31 0.00 -0.00 0.00 0.00 58.31 58.69 2dj0 n LYS 15 Cb 0.26 -0.76 0.59 0.00 0.00 0.00 0.00 35.03 35.13 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 -0.33 0.29 -1.24 3.15 1.35 -1.96 0.50 112.91 114.67 2dj0 h THR 16 Ca 0.00 -0.07 0.43 0.00 -0.55 0.00 0.00 66.41 66.22 2dj0 h THR 16 Cb 0.33 0.06 -0.12 0.00 -1.73 0.00 0.00 68.15 66.68 2dj0 h THR 16 CO 0.00 0.04 0.80 0.00 -0.25 0.00 0.00 175.52 176.11 2dj0 n ILE 17 N -4.67 -0.22 -0.09 6.82 3.06 -0.87 -0.47 119.36 122.92 2dj0 n ILE 17 Ca 0.32 1.60 -0.17 0.00 -2.50 0.00 0.00 62.75 62.00 2dj0 n ILE 17 Cb 1.20 -2.62 -0.09 0.00 0.54 0.00 0.00 39.64 38.68 2dj0 n ILE 17 CO 0.00 0.00 0.00 -2.24 -2.50 0.00 0.00 176.55 171.81 2dj0 h ASP 18 N 0.00 0.00 -1.18 9.51 3.04 -1.18 -3.33 116.42 123.28 2dj0 h ASP 18 Ca 0.79 -0.39 0.43 0.00 -3.24 0.00 0.00 57.03 54.62 2dj0 h ASP 18 Cb 2.55 0.00 -0.15 0.00 -1.04 0.00 0.00 39.33 40.69 2dj0 h ASP 18 CO -0.40 1.28 0.72 -1.84 -2.04 0.00 0.00 179.24 176.95 2dj0 n GLU 19 N -4.49 -0.04 0.14 4.15 0.28 0.38 -0.44 120.64 120.62 2dj0 n GLU 19 Ca -0.25 1.24 -0.06 0.00 -0.16 0.00 0.00 57.16 57.93 2dj0 n GLU 19 Cb 0.56 -2.36 -0.03 0.00 1.43 0.00 0.00 31.44 31.05 2dj0 n GLU 19 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2dj0 h GLU 20 N 0.00 -0.37 0.00 3.44 3.07 -1.37 -2.57 114.58 116.79 2dj0 h GLU 20 Ca 0.83 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.71 2dj0 h GLU 20 Cb 2.49 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 30.49 2dj0 h GLU 20 CO -0.55 -0.24 0.29 -0.07 -1.40 0.00 0.00 179.01 177.04 2dj0 h LEU 21 N -0.59 0.00 0.22 1.33 3.38 -1.11 0.38 115.31 118.92 2dj0 h LEU 21 Ca -0.04 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.61 2dj0 h LEU 21 Cb 0.29 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.07 2dj0 h LEU 21 CO 0.06 0.00 -1.45 -0.08 0.09 0.00 0.00 178.44 177.06 2dj0 h GLU 22 N 0.00 0.46 0.03 1.13 4.81 -0.65 -2.84 114.58 117.52 2dj0 h GLU 22 Ca 0.00 -0.78 -0.23 0.00 -0.13 0.00 0.00 59.36 58.22 2dj0 h GLU 22 Cb 0.58 0.29 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 2dj0 h GLU 22 CO 0.00 1.37 -1.26 0.07 -0.73 0.00 0.00 179.01 178.46 2dj0 h ARG 23 N 0.12 0.07 -0.95 1.92 0.11 -0.08 -3.35 114.38 112.21 2dj0 h ARG 23 Ca -0.24 -0.11 -0.14 0.00 0.10 0.00 0.00 59.98 59.59 2dj0 h ARG 23 Cb 2.12 0.04 -0.09 0.00 1.11 0.00 0.00 29.97 33.15 2dj0 h ARG 23 CO 0.25 1.05 0.18 -0.25 0.10 0.00 0.00 179.97 181.30 2dj0 n ASP 24 N -4.26 3.16 -0.03 0.08 9.92 0.95 -4.63 116.55 121.74 2dj0 n ASP 24 Ca -0.29 -2.55 -0.01 0.00 -0.53 0.00 0.00 54.79 51.41 2dj0 n ASP 24 Cb 0.74 -0.61 -0.01 0.00 -0.64 0.00 0.00 41.12 40.60 2dj0 n ASP 24 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2dj0 h LYS 25 N 0.73 -0.00 -0.98 -1.24 1.57 -1.64 0.34 116.57 115.34 2dj0 h LYS 25 Ca 0.18 0.00 0.35 0.00 -1.87 0.00 0.00 60.65 59.30 2dj0 h LYS 25 Cb 1.54 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.68 2dj0 h LYS 25 CO 0.36 -0.00 0.42 0.07 -0.57 0.00 0.00 179.45 179.73 2dj0 h ARG 26 N -0.00 0.10 -6.58 3.15 0.11 -1.87 -2.46 114.38 106.83 2dj0 h ARG 26 Ca 0.01 -0.01 -0.52 0.00 0.10 0.00 0.00 59.98 59.57 2dj0 h ARG 26 Cb 0.03 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 2dj0 h ARG 26 CO -0.07 0.07 0.42 0.08 0.10 0.00 0.00 179.97 180.57 2dj0 s VAL 27 N -5.69 4.26 0.36 0.08 1.01 0.12 -4.41 120.40 116.13 2dj0 s VAL 27 Ca -0.10 1.85 -0.26 0.00 0.00 0.00 0.00 61.98 63.47 2dj0 s VAL 27 Cb 0.31 -4.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 2dj0 s VAL 27 CO 0.78 0.27 1.05 -0.89 0.00 0.00 0.00 175.10 176.31 2dj0 s THR 28 N 0.11 3.71 -0.09 3.92 2.01 -1.26 -4.53 115.64 119.51 2dj0 s THR 28 Ca 0.49 1.42 -0.01 0.00 0.31 0.00 0.00 61.69 63.91 2dj0 s THR 28 Cb -0.26 -3.79 0.03 0.00 0.01 0.00 0.00 72.50 68.49 2dj0 s THR 28 CO 0.31 0.12 -0.03 0.26 -0.69 0.00 0.00 174.62 174.59 2dj0 s TRP 29 N -1.52 1.02 -0.51 4.92 0.52 -0.94 -4.04 118.94 118.39 2dj0 s TRP 29 Ca 0.54 -0.43 -0.18 0.00 0.02 0.00 0.00 56.10 56.05 2dj0 s TRP 29 Cb -0.24 -0.99 0.07 0.00 -1.15 0.00 0.00 33.47 31.16 2dj0 s TRP 29 CO 0.31 -0.42 0.57 -1.50 0.02 0.00 0.00 176.95 175.93 2dj0 s ILE 30 N 1.86 4.99 -0.15 2.03 2.07 -1.25 -2.72 121.20 128.03 2dj0 s ILE 30 Ca 0.05 -0.80 -0.07 0.00 -1.41 0.00 0.00 60.65 58.42 2dj0 s ILE 30 Cb -0.13 -4.28 -0.04 0.00 0.13 0.00 0.00 42.46 38.14 2dj0 s ILE 30 CO -0.07 -0.80 0.11 -0.69 -1.91 0.00 0.00 174.94 171.59 2dj0 s VAL 31 N 2.30 5.26 -0.30 4.00 1.01 -1.21 -2.51 120.40 128.94 2dj0 s VAL 31 Ca 0.11 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 2dj0 s VAL 31 Cb -0.22 -3.33 0.05 0.00 0.00 0.00 0.00 36.38 32.88 2dj0 s VAL 31 CO 0.09 0.55 -0.00 -0.70 0.00 0.00 0.00 175.10 175.03 2dj0 s GLU 32 N -0.43 2.44 -0.58 2.72 2.12 -1.06 -2.91 118.70 121.00 2dj0 s GLU 32 Ca 0.11 -1.26 -0.24 0.00 0.36 0.00 0.00 54.97 53.94 2dj0 s GLU 32 Cb -0.12 -3.18 0.05 0.00 0.26 0.00 0.00 34.13 31.14 2dj0 s GLU 32 CO 0.02 -0.62 0.95 -0.06 -0.54 0.00 0.00 175.26 175.01 2dj0 s PHE 33 N 1.25 2.76 0.33 5.30 0.40 -0.22 -3.40 117.98 124.41 2dj0 s PHE 33 Ca -0.05 -0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.20 2dj0 s PHE 33 Cb -0.20 -4.12 -0.06 0.00 0.51 0.00 0.00 43.02 39.15 2dj0 s PHE 33 CO -0.01 -1.43 -0.05 -0.59 0.70 0.00 0.00 175.22 173.84 2dj0 s PHE 34 N 3.99 2.21 0.17 0.36 -0.71 -1.24 -1.26 117.98 121.49 2dj0 s PHE 34 Ca 0.28 -0.65 0.10 0.00 -1.04 0.00 0.00 56.93 55.62 2dj0 s PHE 34 Cb -0.14 -1.34 -0.04 0.00 -1.21 0.00 0.00 43.02 40.30 2dj0 s PHE 34 CO 0.17 0.39 -0.22 0.00 -1.34 0.00 0.00 175.22 174.22 2dj0 s ALA 35 N -2.85 2.28 0.28 1.99 0.00 -1.26 -1.56 121.76 120.63 2dj0 s ALA 35 Ca 0.32 -1.55 0.02 0.00 0.00 0.00 0.00 51.96 50.75 2dj0 s ALA 35 Cb 0.05 -0.27 0.40 0.00 0.00 0.00 0.00 23.12 23.29 2dj0 s ALA 35 CO 0.15 0.36 1.72 -0.91 0.00 0.00 0.00 175.76 177.08 2dj0 h ASN 36 N 3.32 0.53 -0.37 0.00 4.21 -1.98 -2.40 115.58 118.89 2dj0 h ASN 36 Ca -0.45 -0.17 -0.04 0.00 1.21 0.00 0.00 56.30 56.85 2dj0 h ASN 36 Cb 1.20 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 38.24 2dj0 h ASN 36 CO 0.48 0.75 0.04 -2.67 -1.29 0.00 0.00 177.43 174.74 2dj0 n TRP 37 N -4.14 1.31 -3.51 1.19 4.27 -1.26 -4.77 117.44 110.53 2dj0 n TRP 37 Ca -0.00 -0.53 -0.42 0.00 -3.89 0.00 0.00 57.50 52.66 2dj0 n TRP 37 Cb 0.39 -0.38 -0.08 0.00 -1.36 0.00 0.00 31.31 29.88 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 -0.45 5.79 0.19 -0.67 0.15 -0.91 -4.94 113.70 112.85 2dj0 s SER 38 Ca 0.33 -1.87 -0.13 0.00 0.70 0.00 0.00 55.95 54.98 2dj0 s SER 38 Cb 0.25 -2.04 0.10 0.00 -1.71 0.00 0.00 66.02 62.62 2dj0 s SER 38 CO 0.09 -0.71 1.85 0.78 1.20 0.00 0.00 173.24 176.45 2dj0 h ASN 39 N 8.53 0.69 -1.16 5.45 4.21 -1.86 -2.12 115.58 129.31 2dj0 h ASN 39 Ca -0.23 -0.02 0.33 0.00 1.21 0.00 0.00 56.30 57.60 2dj0 h ASN 39 Cb 1.08 -0.17 -0.10 0.00 -1.12 0.00 0.00 38.32 38.01 2dj0 h ASN 39 CO 0.89 0.50 0.76 0.44 -1.29 0.00 0.00 177.43 178.72 2dj0 h ASP 40 N 0.81 0.32 -0.66 5.81 3.32 -1.92 0.63 116.42 124.72 2dj0 h ASP 40 Ca 0.22 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.32 2dj0 h ASP 40 Cb -0.08 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 2dj0 h ASP 40 CO -0.05 -0.01 0.26 0.00 -1.72 0.00 0.00 179.24 177.71 2dj0 h GLN 42 N 1.00 -0.65 0.00 0.00 4.20 0.21 0.82 115.11 120.69 2dj0 h GLN 42 Ca 0.23 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.98 2dj0 h GLN 42 Cb 0.22 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2dj0 h GLN 42 CO -0.02 -0.43 0.26 1.03 -0.67 0.00 0.00 178.83 179.01 2dj0 h SER 43 N -0.67 0.00 0.15 1.46 0.87 -1.57 0.24 113.55 114.03 2dj0 h SER 43 Ca 0.01 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.22 2dj0 h SER 43 Cb 0.71 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.61 2dj0 h SER 43 CO -0.34 0.00 -2.18 0.33 -0.53 0.00 0.00 176.83 174.12 2dj0 n PHE 44 N -2.39 0.39 -0.27 2.24 7.35 0.11 -4.21 117.46 120.68 2dj0 n PHE 44 Ca -0.01 0.13 -0.06 0.00 -0.76 0.00 0.00 57.45 56.74 2dj0 n PHE 44 Cb 0.30 -1.07 -0.05 0.00 0.35 0.00 0.00 39.48 39.01 2dj0 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dj0 n ALA 45 N -2.79 -0.35 -0.03 3.13 0.00 0.25 0.94 120.51 121.66 2dj0 n ALA 45 Ca -0.30 0.57 -0.09 0.00 0.00 0.00 0.00 53.44 53.62 2dj0 n ALA 45 Cb 1.09 -0.13 0.07 0.00 0.00 0.00 0.00 19.45 20.48 2dj0 n ALA 45 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2dj0 h PRO 46 N 0.00 0.65 0.95 0.00 0.13 -1.79 -2.82 132.00 129.12 2dj0 h PRO 46 Ca 0.13 -0.35 -0.05 0.00 -0.87 0.00 0.00 66.00 64.87 2dj0 h PRO 46 Cb 0.29 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.44 2dj0 h PRO 46 CO -0.61 0.95 -0.46 0.82 -0.23 0.00 0.00 178.00 178.47 2dj0 h ILE 47 N 0.53 0.00 -0.81 -3.56 2.04 0.40 -2.31 117.51 113.80 2dj0 h ILE 47 Ca 0.04 -0.05 0.14 0.00 1.00 0.00 0.00 64.86 65.99 2dj0 h ILE 47 Cb 0.95 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.94 2dj0 h ILE 47 CO 0.09 0.00 0.40 0.22 0.00 0.00 0.00 178.15 178.85 2dj0 h TYR 48 N -1.32 0.69 -0.21 1.37 3.20 -0.31 -1.59 116.97 118.79 2dj0 h TYR 48 Ca -0.13 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.83 2dj0 h TYR 48 Cb 0.98 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 39.00 2dj0 h TYR 48 CO 0.00 0.16 -0.17 0.00 -1.64 0.00 0.00 178.16 176.52 2dj0 h ALA 49 N 1.54 -0.02 -0.06 1.82 0.00 -1.38 0.47 119.26 121.63 2dj0 h ALA 49 Ca 0.44 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.45 2dj0 h ALA 49 Cb 0.61 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2dj0 h ALA 49 CO -0.36 -0.59 -0.06 0.22 0.00 0.00 0.00 179.25 178.46 2dj0 h ASP 50 N -0.17 -0.18 0.33 0.00 3.58 -0.74 -1.82 116.42 117.42 2dj0 h ASP 50 Ca 0.13 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 2dj0 h ASP 50 Cb 0.35 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2dj0 h ASP 50 CO -0.32 -0.08 -0.32 -0.07 -2.88 0.00 0.00 179.24 175.57 2dj0 h LEU 51 N -0.08 -0.88 -0.39 2.28 3.38 -0.90 -0.86 115.31 117.86 2dj0 h LEU 51 Ca 0.05 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.13 2dj0 h LEU 51 Cb 0.14 0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2dj0 h LEU 51 CO -0.11 -0.43 -0.35 0.77 0.09 0.00 0.00 178.44 178.42 2dj0 h SER 52 N -0.64 -1.20 -0.74 -0.43 4.64 -0.89 0.18 113.55 114.47 2dj0 h SER 52 Ca -0.04 0.17 0.14 0.00 -0.47 0.00 0.00 61.79 61.59 2dj0 h SER 52 Cb 0.56 0.51 -0.14 0.00 -0.31 0.00 0.00 62.40 63.02 2dj0 h SER 52 CO -0.04 -0.20 -0.22 -0.07 -0.87 0.00 0.00 176.83 175.43 2dj0 h LEU 53 N -0.15 -0.80 0.33 5.97 3.38 -1.30 1.14 115.31 123.89 2dj0 h LEU 53 Ca 0.06 0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 2dj0 h LEU 53 Cb 0.32 0.49 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2dj0 h LEU 53 CO -0.44 -0.26 -0.36 0.50 0.09 0.00 0.00 178.44 177.97 2dj0 h LYS 54 N -0.03 -0.70 -0.62 1.13 3.64 0.40 -1.12 116.57 119.28 2dj0 h LYS 54 Ca 0.34 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 2dj0 h LYS 54 Cb 0.55 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2dj0 h LYS 54 CO -0.77 -0.47 0.00 0.66 -2.27 0.00 0.00 179.45 176.61 2dj0 n TYR 55 N -5.46 0.24 -2.55 1.91 4.02 0.47 -4.73 117.16 111.06 2dj0 n TYR 55 Ca -0.09 -0.09 -0.41 0.00 -0.01 0.00 0.00 57.90 57.30 2dj0 n TYR 55 Cb 0.36 -0.10 -0.03 0.00 -0.02 0.00 0.00 39.34 39.56 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 -0.45 6.48 0.06 7.72 3.84 0.38 -4.59 114.94 128.38 2dj0 s ASN 56 Ca 0.07 -1.48 0.01 0.00 0.21 0.00 0.00 52.86 51.67 2dj0 s ASN 56 Cb 0.05 -2.57 -0.03 0.00 -0.55 0.00 0.00 41.25 38.15 2dj0 s ASN 56 CO 0.03 -1.52 -0.05 0.00 -2.79 0.00 0.00 177.10 172.76 2dj0 n THR 58 N 0.69 -0.04 0.00 0.00 5.66 -1.26 -2.85 114.28 116.48 2dj0 n THR 58 Ca -0.18 1.55 0.00 0.00 -3.05 0.00 0.00 64.05 62.38 2dj0 n THR 58 Cb 0.58 -2.58 0.00 0.00 -1.55 0.00 0.00 70.33 66.78 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 -1.86 0.52 3.77 1.09 0.00 -1.26 -4.87 105.19 102.57 2dj0 n GLY 59 Ca 0.44 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.10 4.34 0.44 0.99 2.96 -1.13 -4.85 118.68 121.33 2dj0 s LEU 60 Ca 0.00 2.22 0.03 0.00 -0.22 0.00 0.00 54.13 56.16 2dj0 s LEU 60 Cb 0.00 -3.89 -0.02 0.00 0.50 0.00 0.00 46.19 42.78 2dj0 s LEU 60 CO 0.00 -0.38 0.08 0.20 -1.32 0.00 0.00 176.35 174.93 2dj0 s ASN 61 N -1.14 3.26 0.04 3.68 0.01 -1.26 -3.03 114.94 116.50 2dj0 s ASN 61 Ca 0.51 -1.65 0.01 0.00 -0.71 0.00 0.00 52.86 51.03 2dj0 s ASN 61 Cb -0.29 0.46 -0.02 0.00 0.41 0.00 0.00 41.25 41.81 2dj0 s ASN 61 CO 0.37 -0.88 -0.06 -0.36 -1.51 0.00 0.00 177.10 174.66 2dj0 s PHE 62 N -3.09 0.56 -0.02 2.20 0.40 -1.26 -3.83 117.98 112.94 2dj0 s PHE 62 Ca 0.19 -0.56 -0.21 0.00 -0.60 0.00 0.00 56.93 55.75 2dj0 s PHE 62 Cb 0.03 -0.35 0.04 0.00 0.51 0.00 0.00 43.02 43.25 2dj0 s PHE 62 CO 0.11 -0.13 0.45 0.20 0.70 0.00 0.00 175.22 176.55 2dj0 s GLY 63 N -1.69 -0.32 0.09 4.36 0.00 -1.05 -3.19 107.32 105.53 2dj0 s GLY 63 Ca -0.10 0.69 0.06 0.00 0.00 0.00 0.00 44.72 45.38 2dj0 s GLY 63 CO -0.01 0.42 -0.16 0.54 0.00 0.00 0.00 173.10 173.90 2dj0 s LYS 64 N -1.37 0.95 -0.22 2.90 1.02 -1.14 -2.57 119.74 119.32 2dj0 s LYS 64 Ca -0.12 -1.07 -0.06 0.00 0.02 0.00 0.00 55.97 54.74 2dj0 s LYS 64 Cb -0.03 -1.00 0.11 0.00 -0.52 0.00 0.00 37.83 36.39 2dj0 s LYS 64 CO 0.06 0.22 0.43 0.54 -0.92 0.00 0.00 175.35 175.67 2dj0 s VAL 65 N -1.42 -0.67 -0.02 3.17 0.11 -1.22 -0.14 120.40 120.21 2dj0 s VAL 65 Ca 0.03 0.09 -0.30 0.00 -2.93 0.00 0.00 61.98 58.87 2dj0 s VAL 65 Cb -0.09 -0.73 -0.06 0.00 -1.53 0.00 0.00 36.38 33.97 2dj0 s VAL 65 CO 0.03 0.01 1.60 1.51 -3.33 0.00 0.00 175.10 174.92 2dj0 s ASP 66 N 2.62 6.69 -0.10 3.54 1.47 -1.26 -3.72 116.67 125.91 2dj0 s ASP 66 Ca 0.03 2.26 0.16 0.00 1.18 0.00 0.00 52.55 56.18 2dj0 s ASP 66 Cb -0.13 -2.55 -0.23 0.00 -0.34 0.00 0.00 42.92 39.67 2dj0 s ASP 66 CO -0.14 -0.87 0.21 1.33 0.68 0.00 0.00 175.17 176.37 2dj0 n VAL 67 N 5.15 0.60 -0.05 2.11 0.24 -0.60 -3.65 118.33 122.12 2dj0 n VAL 67 Ca 0.16 -0.55 0.22 0.00 -2.04 0.00 0.00 64.34 62.12 2dj0 n VAL 67 Cb 0.42 -0.26 0.69 0.00 -1.47 0.00 0.00 33.84 33.22 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 3.19 0.05 0.00 7.63 0.00 -1.90 -2.97 103.07 109.07 2dj0 h GLY 68 Ca -0.24 -0.01 -0.34 0.00 0.00 0.00 0.00 47.33 46.74 2dj0 h GLY 68 CO 0.01 0.00 -2.22 -2.13 0.00 0.00 0.00 176.54 172.20 2dj0 n ARG 69 N -4.36 0.51 -2.41 4.80 0.00 -1.26 -4.82 116.66 109.12 2dj0 n ARG 69 Ca 0.12 0.15 -0.37 0.00 -0.00 0.00 0.00 57.85 57.75 2dj0 n ARG 69 Cb 0.68 -1.38 -0.04 0.00 0.00 0.00 0.00 32.46 31.72 2dj0 n ARG 69 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2dj0 s TYR 70 N -2.42 2.30 0.09 -0.14 1.51 -1.12 -4.84 117.35 112.72 2dj0 s TYR 70 Ca -0.29 -0.36 -0.29 0.00 -1.01 0.00 0.00 57.07 55.12 2dj0 s TYR 70 Cb 0.09 -4.50 -0.15 0.00 -0.11 0.00 0.00 41.96 37.29 2dj0 s TYR 70 CO 0.46 -1.90 1.65 1.79 -1.11 0.00 0.00 175.55 176.44 2dj0 h THR 71 N 6.89 0.49 -0.85 -0.71 1.35 -1.88 -1.02 112.91 117.19 2dj0 h THR 71 Ca 0.14 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 66.16 2dj0 h THR 71 Cb 1.01 0.49 -0.16 0.00 -1.73 0.00 0.00 68.15 67.77 2dj0 h THR 71 CO 1.36 0.00 -0.23 0.47 -0.25 0.00 0.00 175.52 176.87 2dj0 n ASP 72 N -5.37 -0.33 0.10 5.36 9.92 -1.26 -0.29 116.55 124.67 2dj0 n ASP 72 Ca -0.10 1.46 -0.05 0.00 -0.53 0.00 0.00 54.79 55.57 2dj0 n ASP 72 Cb 0.28 -0.43 -0.02 0.00 -0.64 0.00 0.00 41.12 40.31 2dj0 n ASP 72 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2dj0 h VAL 73 N 0.00 0.00 -1.71 2.53 2.07 -1.86 0.26 116.25 117.54 2dj0 h VAL 73 Ca 0.39 -0.32 0.50 0.00 0.82 0.00 0.00 66.70 68.10 2dj0 h VAL 73 Cb 0.61 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.30 2dj0 h VAL 73 CO -0.87 0.00 1.22 -1.54 0.02 0.00 0.00 177.57 176.40 2dj0 n SER 74 N -3.69 0.02 -0.04 0.57 3.41 -0.41 0.14 113.62 113.62 2dj0 n SER 74 Ca -0.04 0.92 -0.21 0.00 -0.26 0.00 0.00 58.87 59.28 2dj0 n SER 74 Cb 0.12 -0.46 -0.13 0.00 -0.26 0.00 0.00 64.21 63.48 2dj0 n SER 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2dj0 n THR 75 N -3.78 1.68 -0.09 6.66 -1.04 0.60 0.58 114.28 118.89 2dj0 n THR 75 Ca 0.39 -0.59 0.15 0.00 -2.04 0.00 0.00 64.05 61.96 2dj0 n THR 75 Cb 1.76 -1.67 0.55 0.00 -1.82 0.00 0.00 70.33 69.14 2dj0 n THR 75 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2dj0 h ARG 76 N -0.04 0.30 -0.81 -2.82 2.43 0.48 0.01 114.38 113.93 2dj0 h ARG 76 Ca -0.47 -0.02 -0.49 0.00 -0.81 0.00 0.00 59.98 58.19 2dj0 h ARG 76 Cb 1.94 -0.07 -0.27 0.00 -0.42 0.00 0.00 29.97 31.16 2dj0 h ARG 76 CO 0.01 0.20 0.36 0.66 -1.51 0.00 0.00 179.97 179.69 2dj0 n TYR 77 N -4.45 2.59 -3.83 2.20 4.02 -0.07 -4.93 117.16 112.69 2dj0 n TYR 77 Ca 0.11 -2.20 -0.25 0.00 -0.01 0.00 0.00 57.90 55.55 2dj0 n TYR 77 Cb 0.47 -0.92 -0.07 0.00 -0.02 0.00 0.00 39.34 38.80 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 -1.02 -0.92 -3.65 -0.72 5.02 -0.01 -4.86 118.16 112.00 2dj0 n LYS 78 Ca 0.52 0.07 -0.39 0.00 -2.02 0.00 0.00 58.31 56.50 2dj0 n LYS 78 Cb 1.12 -2.83 -0.10 0.00 -0.02 0.00 0.00 35.03 33.21 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 -3.76 3.86 0.52 -0.18 1.01 0.20 -5.01 120.40 117.03 2dj0 s VAL 79 Ca 0.12 -1.80 -0.22 0.00 0.00 0.00 0.00 61.98 60.08 2dj0 s VAL 79 Cb -0.07 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 2dj0 s VAL 79 CO 0.75 -0.68 1.32 -1.20 0.00 0.00 0.00 175.10 175.29 2dj0 n SER 80 N 4.79 2.58 -2.10 3.32 7.64 -1.26 -4.36 113.62 124.24 2dj0 n SER 80 Ca -0.07 1.00 -0.26 0.00 1.01 0.00 0.00 58.87 60.56 2dj0 n SER 80 Cb 0.41 -1.55 0.03 0.00 -1.01 0.00 0.00 64.21 62.09 2dj0 n SER 80 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2dj0 n THR 81 N -0.88 2.67 -3.89 0.44 -2.24 -1.26 -4.73 114.28 104.40 2dj0 n THR 81 Ca 0.10 -4.10 -0.34 0.00 -2.27 0.00 0.00 64.05 57.43 2dj0 n THR 81 Cb 0.44 -1.15 -0.05 0.00 -2.10 0.00 0.00 70.33 67.46 2dj0 n THR 81 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2dj0 s SER 82 N -3.34 6.38 0.00 3.42 0.01 -1.26 -4.98 113.70 113.93 2dj0 s SER 82 Ca 0.53 0.39 0.15 0.00 1.31 0.00 0.00 55.95 58.33 2dj0 s SER 82 Cb 0.42 -2.02 0.90 0.00 0.21 0.00 0.00 66.02 65.52 2dj0 s SER 82 CO 0.01 0.30 1.31 -0.81 0.41 0.00 0.00 173.24 174.47 2dj0 n PRO 83 N 1.24 0.49 -0.09 12.44 -0.04 -1.26 -3.08 135.00 144.70 2dj0 n PRO 83 Ca -0.13 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.16 2dj0 n PRO 83 Cb 0.53 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.98 1.67 -4.33 1.53 4.32 -1.26 -5.03 117.00 112.92 2dj0 n LEU 84 Ca 0.11 0.14 -0.33 0.00 -0.02 0.00 0.00 56.01 55.92 2dj0 n LEU 84 Cb 0.05 -0.53 0.16 0.00 -1.62 0.00 0.00 43.42 41.48 2dj0 n LEU 84 CO 0.08 0.47 -0.38 1.07 -1.22 0.00 0.00 177.39 177.41 2dj0 n THR 85 N -3.58 0.00 -2.28 -5.08 5.66 -1.18 -4.94 114.28 102.89 2dj0 n THR 85 Ca -0.33 -0.27 -0.26 0.00 -3.05 0.00 0.00 64.05 60.14 2dj0 n THR 85 Cb 0.76 -0.61 0.01 0.00 -1.55 0.00 0.00 70.33 68.94 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 -1.97 3.48 -1.12 1.09 4.01 -1.26 -4.74 118.16 117.64 2dj0 n LYS 86 Ca 0.03 -4.34 -0.12 0.00 -0.51 0.00 0.00 58.31 53.37 2dj0 n LYS 86 Cb 0.59 -2.26 0.15 0.00 -0.51 0.00 0.00 35.03 33.00 2dj0 n LYS 86 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2dj0 n GLN 87 N -0.58 2.29 -3.65 1.97 1.13 -1.26 -4.77 117.38 112.51 2dj0 n GLN 87 Ca 0.42 -3.41 -0.04 0.00 -1.94 0.00 0.00 57.00 52.03 2dj0 n GLN 87 Cb 0.77 -1.97 -0.06 0.00 0.11 0.00 0.00 30.24 29.09 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 -3.39 -0.95 0.00 1.08 1.43 -1.26 -4.35 118.68 111.24 2dj0 s LEU 88 Ca 0.48 1.40 -0.01 0.00 -1.03 0.00 0.00 54.13 54.96 2dj0 s LEU 88 Cb 0.42 2.05 0.02 0.00 0.03 0.00 0.00 46.19 48.71 2dj0 s LEU 88 CO 0.00 -0.22 0.08 -0.81 0.23 0.00 0.00 176.35 175.63 2dj0 n PRO 89 N 5.21 -1.17 -3.49 1.29 -0.04 -1.26 -4.70 135.00 130.82 2dj0 n PRO 89 Ca -0.13 -0.12 -0.08 0.00 -0.04 0.00 0.00 63.50 63.12 2dj0 n PRO 89 Cb 0.51 -0.12 -0.08 0.00 -0.04 0.00 0.00 33.50 33.77 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 -1.14 -0.64 -0.18 0.52 2.01 -0.39 -4.76 115.64 111.06 2dj0 s THR 90 Ca 0.05 0.05 -0.09 0.00 0.31 0.00 0.00 61.69 62.02 2dj0 s THR 90 Cb -0.00 -0.75 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 2dj0 s THR 90 CO 0.04 -0.02 0.11 -0.76 -0.69 0.00 0.00 174.62 173.30 2dj0 s LEU 91 N 2.59 4.14 -0.01 4.42 1.43 -0.77 -1.06 118.68 129.44 2dj0 s LEU 91 Ca 0.06 0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2dj0 s LEU 91 Cb -0.14 -2.05 -0.00 0.00 0.03 0.00 0.00 46.19 44.03 2dj0 s LEU 91 CO -0.14 0.23 -0.04 -0.63 0.23 0.00 0.00 176.35 175.99 2dj0 s ILE 92 N 0.07 0.35 -0.34 -0.59 1.01 -1.15 -1.11 121.20 119.44 2dj0 s ILE 92 Ca 0.08 -0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.43 2dj0 s ILE 92 Cb -0.11 -0.30 -0.02 0.00 0.01 0.00 0.00 42.46 42.03 2dj0 s ILE 92 CO -0.00 0.10 0.24 -0.22 0.00 0.00 0.00 174.94 175.06 2dj0 s LEU 93 N -0.03 4.51 -0.40 2.97 2.96 -0.49 -3.33 118.68 124.86 2dj0 s LEU 93 Ca 0.01 -0.43 -0.15 0.00 -0.22 0.00 0.00 54.13 53.34 2dj0 s LEU 93 Cb -0.03 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.54 2dj0 s LEU 93 CO -0.00 -0.23 0.34 -0.36 -1.32 0.00 0.00 176.35 174.78 2dj0 s PHE 94 N 1.72 3.21 -0.34 5.38 0.08 -1.10 -2.34 117.98 124.59 2dj0 s PHE 94 Ca 0.06 -0.43 -0.02 0.00 0.12 0.00 0.00 56.93 56.66 2dj0 s PHE 94 Cb -0.17 -2.68 0.07 0.00 -0.57 0.00 0.00 43.02 39.67 2dj0 s PHE 94 CO 0.10 -0.58 0.08 -0.65 -0.10 0.00 0.00 175.22 174.07 2dj0 s GLN 95 N 1.86 2.24 -0.18 0.44 -1.52 -1.07 -2.22 119.66 119.21 2dj0 s GLN 95 Ca 0.08 -1.49 -0.01 0.00 -1.95 0.00 0.00 55.36 51.99 2dj0 s GLN 95 Cb -0.18 -3.34 0.00 0.00 -0.22 0.00 0.00 33.01 29.27 2dj0 s GLN 95 CO 0.11 -0.80 0.14 0.41 -0.25 0.00 0.00 175.29 174.90 2dj0 n GLY 96 N 4.60 0.73 2.76 3.09 0.00 -0.93 -3.30 105.19 112.14 2dj0 n GLY 96 Ca -0.08 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.72 1.03 3.05 -0.02 0.00 -1.21 -4.81 105.19 102.51 2dj0 n GLY 97 Ca -0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.86 2.08 -0.73 1.61 1.02 -1.21 -4.99 119.74 114.66 2dj0 s LYS 98 Ca 0.00 -0.52 -0.25 0.00 0.02 0.00 0.00 55.97 55.22 2dj0 s LYS 98 Cb 0.00 -1.75 -0.15 0.00 -0.52 0.00 0.00 37.83 35.41 2dj0 s LYS 98 CO 0.00 -0.03 2.44 -1.91 -0.92 0.00 0.00 175.35 174.94 2dj0 n GLU 99 N 4.07 0.58 -0.01 1.68 2.13 -1.26 -2.61 120.64 125.23 2dj0 n GLU 99 Ca -0.20 -0.22 -0.13 0.00 0.66 0.00 0.00 57.16 57.27 2dj0 n GLU 99 Cb 0.51 -2.83 -0.10 0.00 0.27 0.00 0.00 31.44 29.29 2dj0 n GLU 99 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dj0 h ALA 100 N 15.33 -0.05 -2.22 4.31 0.00 -1.76 -3.48 119.26 131.40 2dj0 h ALA 100 Ca -0.11 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 2dj0 h ALA 100 Cb 1.19 0.02 -0.19 0.00 0.00 0.00 0.00 17.79 18.81 2dj0 h ALA 100 CO 1.22 -0.23 -0.01 0.00 0.00 0.00 0.00 179.25 180.23 2dj0 s MET 101 N -3.81 0.89 0.04 0.00 0.00 -1.18 -5.04 119.30 110.21 2dj0 s MET 101 Ca -0.16 0.07 0.04 0.00 0.00 0.00 0.00 55.69 55.65 2dj0 s MET 101 Cb 0.01 0.41 -0.02 0.00 0.00 0.00 0.00 34.83 35.23 2dj0 s MET 101 CO 0.64 -0.27 -0.12 -0.98 0.00 0.00 0.00 175.02 174.29 2dj0 s ARG 102 N -1.24 0.79 -0.03 3.16 1.70 -1.26 -1.40 118.95 120.67 2dj0 s ARG 102 Ca -0.12 -0.76 -0.05 0.00 -0.47 0.00 0.00 55.73 54.33 2dj0 s ARG 102 Cb -0.02 -0.75 0.01 0.00 -0.57 0.00 0.00 34.95 33.61 2dj0 s ARG 102 CO 0.08 0.18 0.12 1.03 -1.08 0.00 0.00 175.30 175.62 2dj0 s ARG 103 N -1.30 0.27 0.24 3.89 0.52 -0.27 -3.12 118.95 119.18 2dj0 s ARG 103 Ca -0.01 -0.08 -0.30 0.00 -0.52 0.00 0.00 55.73 54.82 2dj0 s ARG 103 Cb -0.08 0.12 -0.09 0.00 0.52 0.00 0.00 34.95 35.41 2dj0 s ARG 103 CO 0.01 -0.05 1.27 -1.25 0.02 0.00 0.00 175.30 175.30 2dj0 s PRO 104 N -0.53 4.42 0.58 3.54 0.04 -1.26 -1.84 135.00 139.95 2dj0 s PRO 104 Ca -0.06 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.85 2dj0 s PRO 104 Cb -0.04 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 2dj0 s PRO 104 CO 0.00 -0.16 1.09 -1.14 0.04 0.00 0.00 177.00 176.83 2dj0 s GLN 105 N -0.70 3.26 -0.14 4.56 0.74 -1.18 -4.71 119.66 121.48 2dj0 s GLN 105 Ca 0.53 1.40 -0.10 0.00 0.05 0.00 0.00 55.36 57.24 2dj0 s GLN 105 Cb -0.36 -2.01 -0.05 0.00 1.10 0.00 0.00 33.01 31.69 2dj0 s GLN 105 CO 0.42 -0.88 0.18 0.42 -0.55 0.00 0.00 175.29 174.88 2dj0 s ILE 106 N -2.14 5.41 -0.40 -2.34 -1.09 -1.26 -2.86 121.20 116.51 2dj0 s ILE 106 Ca 0.68 0.30 -0.06 0.00 -2.23 0.00 0.00 60.65 59.34 2dj0 s ILE 106 Cb -0.20 -3.48 -0.17 0.00 -1.58 0.00 0.00 42.46 37.03 2dj0 s ILE 106 CO 0.32 0.53 2.89 -0.90 -1.23 0.00 0.00 174.94 176.55 2dj0 n ASP 107 N 2.68 5.09 -2.21 3.58 5.68 -1.23 -4.62 116.55 125.52 2dj0 n ASP 107 Ca -0.17 -2.34 0.00 0.00 -0.50 0.00 0.00 54.79 51.78 2dj0 n ASP 107 Cb 0.53 -1.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.31 2dj0 n ASP 107 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2dj0 n LYS 108 N 2.98 -2.70 0.00 0.11 5.02 -1.26 -4.56 118.16 117.75 2dj0 n LYS 108 Ca 0.43 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 2dj0 n LYS 108 Cb 0.57 -3.86 0.00 0.00 -0.02 0.00 0.00 35.03 31.72 2dj0 n LYS 108 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2dj0 n LYS 109 N -2.14 0.00 0.00 1.97 5.02 -1.26 -5.05 118.16 116.70 2dj0 n LYS 109 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2dj0 n LYS 109 Cb 0.43 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 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 3.36 0.90 3.11 0.72 0.00 -1.26 -5.14 105.19 106.88 2dj0 n GLY 110 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 1.51 -0.01 1.61 1.81 -1.26 -5.06 118.95 117.55 2dj0 s ARG 111 Ca 0.00 -0.54 -0.30 0.00 -1.72 0.00 0.00 55.73 53.17 2dj0 s ARG 111 Cb 0.00 -1.36 -0.04 0.00 -0.45 0.00 0.00 34.95 33.10 2dj0 s ARG 111 CO 0.00 0.24 1.16 0.00 -0.68 0.00 0.00 175.30 176.03 2dj0 s ALA 112 N -0.03 3.41 0.22 2.13 0.00 -1.26 -3.57 121.76 122.66 2dj0 s ALA 112 Ca -0.01 0.67 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 2dj0 s ALA 112 Cb -0.10 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 2dj0 s ALA 112 CO 0.01 -0.58 1.22 0.08 0.00 0.00 0.00 175.76 176.50 2dj0 s VAL 113 N 1.67 3.36 -0.47 0.00 1.01 -1.13 -4.91 120.40 119.92 2dj0 s VAL 113 Ca 0.56 1.19 -0.27 0.00 0.00 0.00 0.00 61.98 63.47 2dj0 s VAL 113 Cb -0.25 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2dj0 s VAL 113 CO 0.25 0.21 2.23 -0.44 0.00 0.00 0.00 175.10 177.35 2dj0 s SER 114 N -0.06 4.83 -0.04 3.32 0.01 -1.26 -4.78 113.70 115.72 2dj0 s SER 114 Ca 0.52 1.04 0.03 0.00 1.31 0.00 0.00 55.95 58.85 2dj0 s SER 114 Cb -0.34 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.35 2dj0 s SER 114 CO 0.40 -2.59 -0.11 0.86 0.41 0.00 0.00 173.24 172.21 2dj0 s TRP 115 N 10.72 2.79 -0.18 2.43 -0.00 -1.26 -5.09 118.94 128.34 2dj0 s TRP 115 Ca 0.90 -0.09 -0.29 0.00 -0.00 0.00 0.00 56.10 56.62 2dj0 s TRP 115 Cb -0.18 -1.64 -0.00 0.00 -0.00 0.00 0.00 33.47 31.65 2dj0 s TRP 115 CO 0.26 0.26 1.10 0.99 -0.00 0.00 0.00 176.95 179.57 2dj0 s THR 116 N -0.81 4.57 -0.81 5.86 2.01 -1.26 -4.98 115.64 120.21 2dj0 s THR 116 Ca 0.13 1.88 -0.20 0.00 0.31 0.00 0.00 61.69 63.81 2dj0 s THR 116 Cb -0.11 -4.21 0.12 0.00 0.01 0.00 0.00 72.50 68.31 2dj0 s THR 116 CO 0.02 -0.13 1.02 -0.36 -0.69 0.00 0.00 174.62 174.48 2dj0 s PHE 117 N 3.00 3.02 0.07 4.92 0.40 -1.26 -4.72 117.98 123.41 2dj0 s PHE 117 Ca 0.48 -1.15 0.02 0.00 -0.60 0.00 0.00 56.93 55.68 2dj0 s PHE 117 Cb -0.18 -4.23 -0.03 0.00 0.51 0.00 0.00 43.02 39.09 2dj0 s PHE 117 CO 0.11 -1.48 -0.07 -1.54 0.70 0.00 0.00 175.22 172.94 2dj0 s SER 118 N 3.58 0.98 0.27 1.36 1.04 -1.26 -5.04 113.70 114.64 2dj0 s SER 118 Ca 0.27 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 55.90 2dj0 s SER 118 Cb -0.11 0.07 0.46 0.00 0.10 0.00 0.00 66.02 66.55 2dj0 s SER 118 CO -0.03 -0.35 1.88 -0.08 0.98 0.00 0.00 173.24 175.64 2dj0 h GLU 119 N 3.70 1.09 0.08 4.02 4.22 -1.94 0.14 114.58 125.88 2dj0 h GLU 119 Ca -0.35 -0.07 -0.00 0.00 0.08 0.00 0.00 59.36 59.02 2dj0 h GLU 119 Cb 1.18 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2dj0 h GLU 119 CO 0.53 0.72 -0.04 0.93 -2.18 0.00 0.00 179.01 178.98 2dj0 h GLU 120 N 1.12 -0.10 -0.80 1.92 5.08 -1.98 -2.82 114.58 117.00 2dj0 h GLU 120 Ca 0.44 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.99 2dj0 h GLU 120 Cb 0.25 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 29.38 2dj0 h GLU 120 CO -0.19 -0.07 -0.08 -0.91 -1.00 0.00 0.00 179.01 176.76 2dj0 h ASN 121 N -0.15 -0.53 -0.80 1.42 4.21 -1.88 0.42 115.58 118.27 2dj0 h ASN 121 Ca -0.01 0.22 0.17 0.00 1.21 0.00 0.00 56.30 57.89 2dj0 h ASN 121 Cb 0.08 0.42 -0.11 0.00 -1.12 0.00 0.00 38.32 37.60 2dj0 h ASN 121 CO 0.02 -0.23 0.31 0.58 -1.29 0.00 0.00 177.43 176.81 2dj0 h VAL 122 N 0.05 0.57 0.06 2.81 2.07 -1.04 0.42 116.25 121.18 2dj0 h VAL 122 Ca 0.42 -0.14 -0.24 0.00 0.82 0.00 0.00 66.70 67.57 2dj0 h VAL 122 Cb 0.72 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2dj0 h VAL 122 CO -0.76 0.07 -1.06 0.40 0.02 0.00 0.00 177.57 176.24 2dj0 h ILE 123 N 0.40 1.50 -0.29 4.57 2.04 -0.14 -0.90 117.51 124.69 2dj0 h ILE 123 Ca 0.46 -2.85 -0.08 0.00 1.00 0.00 0.00 64.86 63.40 2dj0 h ILE 123 Cb 0.78 2.70 -0.02 0.00 -0.74 0.00 0.00 36.82 39.55 2dj0 h ILE 123 CO -0.47 0.83 -0.16 -0.09 0.00 0.00 0.00 178.15 178.26 2dj0 h ARG 124 N 0.11 0.50 0.00 2.37 9.65 0.14 0.54 114.38 127.69 2dj0 h ARG 124 Ca -0.09 -0.16 -0.04 0.00 -1.10 0.00 0.00 59.98 58.60 2dj0 h ARG 124 Cb 1.75 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 30.28 2dj0 h ARG 124 CO 0.17 0.65 -0.41 0.93 2.80 0.00 0.00 179.97 184.12 2dj0 h GLU 125 N 0.46 0.00 0.00 0.20 4.39 -0.29 -3.34 114.58 116.00 2dj0 h GLU 125 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2dj0 h GLU 125 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2dj0 h GLU 125 CO 0.04 0.28 0.00 1.19 -1.16 0.00 0.00 179.01 179.35 2dj0 n PHE 126 N -4.64 0.00 -4.16 4.33 3.72 -0.34 -4.87 117.46 111.50 2dj0 n PHE 126 Ca -0.09 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.00 2dj0 n PHE 126 Cb 0.27 -0.38 -0.05 0.00 -0.94 0.00 0.00 39.48 38.38 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 -1.38 -0.89 -0.26 4.37 4.13 0.19 -4.83 115.26 116.58 2dj0 n ASN 127 Ca 0.06 -1.09 -0.05 0.00 1.68 0.00 0.00 54.58 55.17 2dj0 n ASN 127 Cb 0.15 -2.51 0.06 0.00 -1.54 0.00 0.00 39.78 35.93 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 -1.66 0.86 -0.73 3.41 3.38 -1.79 -2.47 115.31 116.30 2dj0 h LEU 128 Ca -0.63 -0.06 0.16 0.00 0.09 0.00 0.00 57.88 57.45 2dj0 h LEU 128 Cb 1.38 -0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.80 2dj0 h LEU 128 CO 0.71 0.67 0.10 -0.55 0.09 0.00 0.00 178.44 179.45 2dj0 h ASN 129 N 0.99 -0.15 -0.40 -0.43 7.08 -1.88 0.23 115.58 121.01 2dj0 h ASN 129 Ca 0.26 0.17 -0.09 0.00 -3.08 0.00 0.00 56.30 53.56 2dj0 h ASN 129 Cb -0.05 0.26 -0.01 0.00 -2.08 0.00 0.00 38.32 36.44 2dj0 h ASN 129 CO -0.05 -0.11 -0.10 -0.33 -2.08 0.00 0.00 177.43 174.76 2dj0 h GLU 130 N 0.18 0.77 0.05 4.14 4.39 -1.84 -3.20 114.58 119.08 2dj0 h GLU 130 Ca 0.41 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2dj0 h GLU 130 Cb 0.71 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2dj0 h GLU 130 CO -0.57 0.91 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.05 2dj0 h LEU 131 N 0.59 -0.18 -9.77 1.33 3.38 -0.57 -3.42 115.31 106.68 2dj0 h LEU 131 Ca 0.10 0.02 -0.53 0.00 0.09 0.00 0.00 57.88 57.56 2dj0 h LEU 131 Cb 0.63 0.07 0.06 0.00 0.09 0.00 0.00 40.66 41.50 2dj0 h LEU 131 CO 0.04 -0.10 0.72 -0.55 0.09 0.00 0.00 178.44 178.64 2dj0 s SER 132 N -5.07 6.71 1.05 -0.43 0.15 0.61 -4.93 113.70 111.79 2dj0 s SER 132 Ca -0.14 2.64 -0.15 0.00 0.70 0.00 0.00 55.95 59.00 2dj0 s SER 132 Cb 0.07 -2.63 0.21 0.00 -1.71 0.00 0.00 66.02 61.96 2dj0 s SER 132 CO 0.66 -0.65 1.14 -0.83 1.20 0.00 0.00 173.24 174.76 2dj0 s GLY 133 N 0.18 1.60 -0.05 9.45 0.00 -1.26 -4.89 107.32 112.35 2dj0 s GLY 133 Ca 0.57 -0.72 -0.30 0.00 0.00 0.00 0.00 44.72 44.27 2dj0 s GLY 133 CO 0.45 -0.00 1.49 2.56 0.00 0.00 0.00 173.10 177.59 2dj0 s PRO 134 N -5.31 4.23 0.23 2.90 0.04 -1.26 -5.01 135.00 130.81 2dj0 s PRO 134 Ca 0.68 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.76 2dj0 s PRO 134 Cb -0.13 -3.78 -0.05 0.00 0.04 0.00 0.00 34.50 30.58 2dj0 s PRO 134 CO 0.55 -0.72 0.02 -1.12 0.04 0.00 0.00 177.00 175.78 2dj0 s SER 135 N 2.51 1.59 -0.67 6.66 0.01 -1.26 -4.86 113.70 117.67 2dj0 s SER 135 Ca 0.66 -1.26 -0.03 0.00 1.31 0.00 0.00 55.95 56.63 2dj0 s SER 135 Cb -0.31 0.06 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2dj0 s SER 135 CO 0.26 -0.58 0.58 -0.24 0.41 0.00 0.00 173.24 173.66 2dj0 n SER 136 N -0.41 -3.54 0.00 2.44 2.88 -1.26 -5.30 113.62 108.42 2dj0 n SER 136 Ca -0.04 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.21 2dj0 n SER 136 Cb 0.64 -2.85 0.00 0.00 -0.75 0.00 0.00 64.21 61.25 2dj0 n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42