#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djm s ASN 5 N 0.00 3.59 -0.37 1.20 2.20 -1.26 -5.02 114.94 115.29 3djm s ASN 5 Ca 0.00 1.13 0.05 0.00 -0.94 0.00 0.00 52.86 53.10 3djm s ASN 5 Cb 0.00 -1.77 0.45 0.00 -2.00 0.00 0.00 41.25 37.93 3djm s ASN 5 CO 0.00 -2.52 1.28 1.41 -2.94 0.00 0.00 177.10 174.34 3djm n HIS 6 N -3.76 2.93 -3.52 1.54 8.25 -1.26 -5.00 115.22 114.39 3djm n HIS 6 Ca 0.06 -2.47 -0.39 0.00 -0.26 0.00 0.00 57.72 54.67 3djm n HIS 6 Cb 0.58 -0.43 -0.10 0.00 1.12 0.00 0.00 29.99 31.16 3djm n HIS 6 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3djm s ILE 7 N -4.81 5.27 -0.16 1.59 1.01 -1.26 -1.24 121.20 121.60 3djm s ILE 7 Ca 0.52 0.25 -0.05 0.00 0.00 0.00 0.00 60.65 61.37 3djm s ILE 7 Cb 0.42 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 3djm s ILE 7 CO -0.02 0.19 -0.00 -0.60 0.00 0.00 0.00 174.94 174.51 3djm s ARG 8 N 1.85 3.73 -0.17 2.79 3.52 -0.22 -4.98 118.95 125.47 3djm s ARG 8 Ca 0.09 -0.46 -0.01 0.00 -0.13 0.00 0.00 55.73 55.22 3djm s ARG 8 Cb -0.16 -3.00 -0.01 0.00 -1.56 0.00 0.00 34.95 30.22 3djm s ARG 8 CO 0.11 0.28 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.26 3djm s LEU 9 N 0.29 2.69 0.17 -0.88 1.43 -1.26 -1.20 118.68 119.92 3djm s LEU 9 Ca -0.01 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 3djm s LEU 9 Cb -0.13 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3djm s LEU 9 CO 0.02 0.07 -0.14 -0.13 0.23 0.00 0.00 176.35 176.40 3djm s ARG 10 N 0.94 1.19 0.04 1.70 0.52 -0.43 -4.96 118.95 117.95 3djm s ARG 10 Ca -0.02 -1.46 -0.30 0.00 -0.52 0.00 0.00 55.73 53.42 3djm s ARG 10 Cb -0.15 -0.96 -0.05 0.00 0.52 0.00 0.00 34.95 34.31 3djm s ARG 10 CO -0.01 0.16 1.22 0.21 0.02 0.00 0.00 175.30 176.90 3djm s LYS 11 N -3.40 4.40 -0.11 3.54 2.20 -1.26 -0.13 119.74 124.99 3djm s LYS 11 Ca 0.17 1.78 -0.30 0.00 -0.36 0.00 0.00 55.97 57.27 3djm s LYS 11 Cb -0.01 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 3djm s LYS 11 CO 0.04 -0.32 1.25 0.00 -0.36 0.00 0.00 175.35 175.96 3djm s ALA 12 N 1.37 3.58 0.21 3.13 0.00 0.11 -4.78 121.76 125.38 3djm s ALA 12 Ca 0.59 0.56 -0.30 0.00 0.00 0.00 0.00 51.96 52.81 3djm s ALA 12 Cb -0.29 -3.57 -0.08 0.00 0.00 0.00 0.00 23.12 19.17 3djm s ALA 12 CO 0.28 -0.98 1.00 -1.21 0.00 0.00 0.00 175.76 174.84 3djm s GLU 13 N 2.88 4.74 1.39 0.00 0.41 -1.26 -4.49 118.70 122.38 3djm s GLU 13 Ca 0.56 1.57 0.00 0.00 -0.41 0.00 0.00 54.97 56.69 3djm s GLU 13 Cb -0.24 -3.29 0.00 0.00 -1.78 0.00 0.00 34.13 28.83 3djm s GLU 13 CO 0.19 0.32 0.00 0.41 -0.49 0.00 0.00 175.26 175.69 3djm n GLY 14 N 1.71 -1.76 3.66 -1.39 0.00 -1.26 -4.82 105.19 101.33 3djm n GLY 14 Ca -0.00 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 3djm n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3djm s LYS 15 N 0.00 4.19 -0.01 1.61 2.20 -1.26 -4.49 119.74 121.98 3djm s LYS 15 Ca 0.00 0.42 0.05 0.00 -0.36 0.00 0.00 55.97 56.08 3djm s LYS 15 Cb 0.00 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 3djm s LYS 15 CO 0.00 -0.14 -0.15 -1.58 -0.36 0.00 0.00 175.35 173.11 3djm s TRP 16 N 1.62 2.66 0.05 4.03 0.52 -0.24 -0.28 118.94 127.30 3djm s TRP 16 Ca 0.24 -0.19 0.07 0.00 0.02 0.00 0.00 56.10 56.25 3djm s TRP 16 Cb -0.15 -1.57 -0.03 0.00 -1.15 0.00 0.00 33.47 30.57 3djm s TRP 16 CO 0.10 0.22 -0.21 0.08 0.02 0.00 0.00 176.95 177.16 3djm s VAL 17 N -0.82 1.66 -0.07 4.03 1.01 -0.41 -0.63 120.40 125.17 3djm s VAL 17 Ca 0.13 -1.22 0.04 0.00 0.00 0.00 0.00 61.98 60.93 3djm s VAL 17 Cb -0.11 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 3djm s VAL 17 CO 0.03 0.18 -0.21 -0.51 0.00 0.00 0.00 175.10 174.59 3djm s ILE 18 N -0.83 1.75 0.24 2.22 1.10 0.24 -1.98 121.20 123.94 3djm s ILE 18 Ca 0.07 -0.87 -0.14 0.00 -0.51 0.00 0.00 60.65 59.20 3djm s ILE 18 Cb -0.09 -1.51 0.00 0.00 0.15 0.00 0.00 42.46 41.01 3djm s ILE 18 CO 0.02 0.49 0.51 0.00 -2.11 0.00 0.00 174.94 173.86 3djm s ARG 19 N 0.17 1.56 0.08 3.50 1.70 -0.23 -1.18 118.95 124.55 3djm s ARG 19 Ca -0.10 -1.18 0.01 0.00 -0.47 0.00 0.00 55.73 53.99 3djm s ARG 19 Cb -0.15 0.49 0.01 0.00 -0.57 0.00 0.00 34.95 34.73 3djm s ARG 19 CO 0.05 -0.66 0.07 0.25 -1.08 0.00 0.00 175.30 173.93 3djm n THR 20 N -0.38 0.00 1.02 4.99 -2.24 -0.40 -0.68 114.28 116.59 3djm n THR 20 Ca -0.03 -0.30 0.10 0.00 -2.27 0.00 0.00 64.05 61.55 3djm n THR 20 Cb 0.62 -0.51 0.54 0.00 -2.10 0.00 0.00 70.33 68.87 3djm n THR 20 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3djm n ASP 21 N -2.13 0.00 0.00 3.42 5.75 -1.26 -3.99 116.55 118.33 3djm n ASP 21 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 3djm n ASP 21 Cb 0.09 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 3djm n ASP 21 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3djm n SER 22 N -1.27 0.05 -3.61 -1.12 3.41 -1.26 -5.12 113.62 104.70 3djm n SER 22 Ca 0.10 -0.82 -0.14 0.00 -0.26 0.00 0.00 58.87 57.75 3djm n SER 22 Cb 0.17 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.07 3djm n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3djm s ALA 23 N -0.01 -1.28 -0.33 7.33 0.00 -1.26 -5.01 121.76 121.20 3djm s ALA 23 Ca 0.00 0.65 -0.13 0.00 0.00 0.00 0.00 51.96 52.48 3djm s ALA 23 Cb 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 3djm s ALA 23 CO 0.00 -0.43 0.26 0.08 0.00 0.00 0.00 175.76 175.67 3djm s VAL 24 N -2.03 5.27 -0.18 0.00 1.01 -1.26 -1.27 120.40 121.94 3djm s VAL 24 Ca -0.08 -0.09 0.22 0.00 0.00 0.00 0.00 61.98 62.04 3djm s VAL 24 Cb -0.01 -3.71 -0.15 0.00 0.00 0.00 0.00 36.38 32.51 3djm s VAL 24 CO 0.01 0.02 0.81 0.18 0.00 0.00 0.00 175.10 176.12 3djm n LEU 25 N 5.15 0.49 -3.62 3.92 4.77 -0.32 -4.91 117.00 122.47 3djm n LEU 25 Ca -0.12 0.17 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 3djm n LEU 25 Cb 0.50 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 3djm n LEU 25 CO 0.37 -0.09 0.84 -0.83 -1.33 0.00 0.00 177.39 176.34 3djm s GLY 26 N -4.38 -0.10 -0.04 -0.72 0.00 -0.94 -0.47 107.32 100.68 3djm s GLY 26 Ca -0.03 2.63 0.02 0.00 0.00 0.00 0.00 44.72 47.33 3djm s GLY 26 CO 0.84 1.58 -0.08 -0.54 0.00 0.00 0.00 173.10 174.90 3djm s GLU 27 N -0.26 1.06 -0.01 2.90 2.02 -1.21 -0.60 118.70 122.61 3djm s GLU 27 Ca 0.03 -0.27 -0.14 0.00 0.02 0.00 0.00 54.97 54.61 3djm s GLU 27 Cb -0.03 -0.97 0.02 0.00 0.10 0.00 0.00 34.13 33.25 3djm s GLU 27 CO -0.05 0.04 0.30 -0.08 0.02 0.00 0.00 175.26 175.48 3djm s THR 28 N 0.49 0.06 -2.25 3.63 -1.32 0.20 -4.83 115.64 111.62 3djm s THR 28 Ca -0.08 -0.52 0.22 0.00 -1.21 0.00 0.00 61.69 60.10 3djm s THR 28 Cb -0.12 -0.65 0.42 0.00 -1.51 0.00 0.00 72.50 70.65 3djm s THR 28 CO 0.01 -0.28 1.37 0.18 -2.21 0.00 0.00 174.62 173.69 3djm n LEU 29 N 1.19 3.41 -1.79 9.08 4.77 -1.26 -1.07 117.00 131.33 3djm n LEU 29 Ca -0.21 -1.56 -0.02 0.00 -0.03 0.00 0.00 56.01 54.18 3djm n LEU 29 Cb 0.56 -0.26 0.07 0.00 -2.33 0.00 0.00 43.42 41.46 3djm n LEU 29 CO 0.22 0.75 0.13 0.59 -1.33 0.00 0.00 177.39 177.75 3djm n ASN 30 N 1.40 2.13 -4.76 -1.43 4.13 -1.26 -4.80 115.26 110.67 3djm n ASN 30 Ca 0.19 -2.78 -0.36 0.00 1.68 0.00 0.00 54.58 53.31 3djm n ASN 30 Cb 0.58 -0.41 0.03 0.00 -1.54 0.00 0.00 39.78 38.44 3djm n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3djm s ALA 31 N -2.52 2.57 -0.11 5.41 0.00 -1.26 -4.61 121.76 121.24 3djm s ALA 31 Ca 0.36 0.94 0.02 0.00 0.00 0.00 0.00 51.96 53.28 3djm s ALA 31 Cb 0.37 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 3djm s ALA 31 CO -0.07 -1.09 -0.17 0.42 0.00 0.00 0.00 175.76 174.86 3djm s ILE 32 N -1.69 2.76 -0.22 0.00 1.01 -0.42 -0.71 121.20 121.94 3djm s ILE 32 Ca 0.76 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 60.50 3djm s ILE 32 Cb -0.28 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 3djm s ILE 32 CO 0.32 0.54 0.29 -0.70 0.00 0.00 0.00 174.94 175.39 3djm s GLU 33 N 0.19 4.12 -0.19 2.79 2.12 0.81 -0.36 118.70 128.19 3djm s GLU 33 Ca -0.10 -0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.20 3djm s GLU 33 Cb -0.16 -3.54 0.01 0.00 0.26 0.00 0.00 34.13 30.70 3djm s GLU 33 CO 0.06 0.01 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.48 3djm s LEU 34 N 1.19 2.45 -0.15 2.70 0.20 -0.37 -1.31 118.68 123.39 3djm s LEU 34 Ca 0.14 -0.53 0.02 0.00 0.69 0.00 0.00 54.13 54.45 3djm s LEU 34 Cb -0.14 -1.58 0.01 0.00 -0.43 0.00 0.00 46.19 44.05 3djm s LEU 34 CO 0.06 0.01 -0.21 -0.89 -0.29 0.00 0.00 176.35 175.03 3djm s THR 35 N 1.26 2.13 -0.36 3.68 2.01 -0.34 -0.94 115.64 123.09 3djm s THR 35 Ca 0.03 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 61.02 3djm s THR 35 Cb -0.14 -1.86 0.05 0.00 0.01 0.00 0.00 72.50 70.56 3djm s THR 35 CO -0.07 0.54 0.14 -0.70 -0.69 0.00 0.00 174.62 173.84 3djm s GLU 36 N 0.87 2.57 5.76 4.92 2.12 -1.26 -1.06 118.70 132.62 3djm s GLU 36 Ca -0.05 -1.28 0.00 0.00 0.36 0.00 0.00 54.97 54.00 3djm s GLU 36 Cb -0.15 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.72 3djm s GLU 36 CO -0.03 -0.74 0.00 0.41 -0.54 0.00 0.00 175.26 174.36 3djm n GLY 37 N 4.81 2.73 1.69 -1.50 0.00 -0.37 -2.46 105.19 110.08 3djm n GLY 37 Ca -0.11 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.55 3djm n GLY 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3djm n SER 38 N 1.08 5.03 -4.75 1.61 3.41 -1.26 -4.94 113.62 113.81 3djm n SER 38 Ca 0.00 -2.76 -0.32 0.00 -0.26 0.00 0.00 58.87 55.53 3djm n SER 38 Cb 0.00 -0.65 0.09 0.00 -0.26 0.00 0.00 64.21 63.39 3djm n SER 38 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3djm s ARG 39 N -2.45 2.26 0.36 4.33 0.52 -1.03 -4.99 118.95 117.94 3djm s ARG 39 Ca 0.47 1.32 -0.28 0.00 -0.52 0.00 0.00 55.73 56.72 3djm s ARG 39 Cb 0.35 -1.89 -0.11 0.00 0.52 0.00 0.00 34.95 33.83 3djm s ARG 39 CO 0.15 -1.66 1.44 -0.51 0.02 0.00 0.00 175.30 174.74 3djm s ASP 40 N -2.98 6.47 0.63 0.23 1.01 -1.26 -4.63 116.67 116.14 3djm s ASP 40 Ca 0.64 2.94 -0.18 0.00 0.71 0.00 0.00 52.55 56.66 3djm s ASP 40 Cb -0.20 -2.66 -0.01 0.00 1.01 0.00 0.00 42.92 41.06 3djm s ASP 40 CO 0.51 -0.78 1.22 -2.16 0.21 0.00 0.00 175.17 174.17 3djm s PRO 41 N -1.87 2.71 -0.11 8.23 0.04 -1.26 -4.77 135.00 137.98 3djm s PRO 41 Ca 0.53 1.84 0.02 0.00 0.04 0.00 0.00 61.00 63.42 3djm s PRO 41 Cb -0.45 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 3djm s PRO 41 CO 0.59 -1.41 -0.16 0.08 0.04 0.00 0.00 177.00 176.14 3djm s VAL 42 N -1.66 2.82 -0.14 -0.36 1.01 -0.11 -4.95 120.40 117.00 3djm s VAL 42 Ca 0.77 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 3djm s VAL 42 Cb -0.31 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 3djm s VAL 42 CO 0.37 0.54 0.41 -0.63 0.00 0.00 0.00 175.10 175.79 3djm s ILE 43 N 0.12 5.23 -0.19 2.22 -1.09 -1.26 -1.24 121.20 125.00 3djm s ILE 43 Ca -0.08 0.79 -0.05 0.00 -2.23 0.00 0.00 60.65 59.08 3djm s ILE 43 Cb -0.15 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 36.96 3djm s ILE 43 CO 0.05 0.33 -0.00 -0.31 -1.23 0.00 0.00 174.94 173.78 3djm s TYR 44 N 0.68 3.06 -0.14 3.97 1.51 0.51 -4.41 117.35 122.54 3djm s TYR 44 Ca 0.22 -0.34 -0.07 0.00 -1.01 0.00 0.00 57.07 55.87 3djm s TYR 44 Cb -0.14 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 3djm s TYR 44 CO 0.08 -0.13 0.10 -0.06 -1.11 0.00 0.00 175.55 174.42 3djm s PHE 45 N 0.74 3.41 0.31 2.71 0.40 0.15 -1.30 117.98 124.41 3djm s PHE 45 Ca 0.00 0.34 -0.29 0.00 -0.60 0.00 0.00 56.93 56.38 3djm s PHE 45 Cb -0.14 -1.97 -0.10 0.00 0.51 0.00 0.00 43.02 41.31 3djm s PHE 45 CO 0.02 0.50 1.28 -1.25 0.70 0.00 0.00 175.22 176.47 3djm s PRO 46 N -0.50 4.40 0.28 0.24 0.04 -1.26 -0.46 135.00 137.74 3djm s PRO 46 Ca 0.11 2.15 -0.02 0.00 0.04 0.00 0.00 61.00 63.28 3djm s PRO 46 Cb -0.12 -3.09 0.42 0.00 0.04 0.00 0.00 34.50 31.74 3djm s PRO 46 CO 0.02 -0.14 1.92 -0.09 0.04 0.00 0.00 177.00 178.75 3djm h ARG 47 N 3.59 1.14 0.00 4.56 2.43 -1.94 -0.38 114.38 123.78 3djm h ARG 47 Ca -0.48 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 3djm h ARG 47 Cb 1.22 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3djm h ARG 47 CO 0.67 0.75 0.01 1.05 -1.51 0.00 0.00 179.97 180.94 3djm h GLU 48 N 1.17 0.00 -0.20 0.20 4.11 -1.93 -1.36 114.58 116.57 3djm h GLU 48 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.81 3djm h GLU 48 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3djm h GLU 48 CO -0.12 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.71 3djm n ASP 49 N -2.93 3.18 -4.67 3.06 8.00 -0.15 -4.94 116.55 118.10 3djm n ASP 49 Ca -0.03 -1.98 -0.34 0.00 0.71 0.00 0.00 54.79 53.16 3djm n ASP 49 Cb 0.07 -0.12 -0.09 0.00 -0.02 0.00 0.00 41.12 40.96 3djm n ASP 49 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3djm s VAL 50 N -1.71 4.19 0.44 2.53 1.01 -0.51 -3.29 120.40 123.05 3djm s VAL 50 Ca 0.32 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.68 3djm s VAL 50 Cb 0.21 -2.80 -0.10 0.00 0.00 0.00 0.00 36.38 33.69 3djm s VAL 50 CO 0.30 0.51 0.97 0.00 0.00 0.00 0.00 175.10 176.88 3djm s ALA 51 N -0.96 3.01 -1.48 5.51 0.00 0.38 -4.99 121.76 123.23 3djm s ALA 51 Ca 0.16 0.45 -0.10 0.00 0.00 0.00 0.00 51.96 52.47 3djm s ALA 51 Cb -0.11 -3.17 0.06 0.00 0.00 0.00 0.00 23.12 19.89 3djm s ALA 51 CO 0.05 0.03 0.89 1.55 0.00 0.00 0.00 175.76 178.28 3djm n VAL 53 N -0.68 -2.66 -1.24 0.00 3.14 -1.26 -5.07 118.33 110.57 3djm n VAL 53 Ca 0.07 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 3djm n VAL 53 Cb 0.54 -3.04 0.00 0.00 -1.06 0.00 0.00 33.84 30.28 3djm n VAL 53 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 3djm n PHE 55 N -4.57 -1.41 -4.48 1.45 3.01 -1.26 -5.03 117.46 105.17 3djm n PHE 55 Ca -0.06 0.75 -0.33 0.00 1.01 0.00 0.00 57.45 58.83 3djm n PHE 55 Cb 0.57 -1.46 -0.16 0.00 -0.01 0.00 0.00 39.48 38.42 3djm n PHE 55 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3djm s ASP 56 N -3.06 3.23 0.36 4.37 1.01 -0.15 -4.94 116.67 117.49 3djm s ASP 56 Ca 0.00 -0.59 -0.28 0.00 0.71 0.00 0.00 52.55 52.39 3djm s ASP 56 Cb 0.00 -1.48 -0.12 0.00 1.01 0.00 0.00 42.92 42.33 3djm s ASP 56 CO 0.00 0.06 1.41 1.17 0.21 0.00 0.00 175.17 178.01 3djm n LYS 57 N 4.24 2.45 -3.84 8.23 4.81 -1.26 -0.98 118.16 131.80 3djm n LYS 57 Ca -0.20 0.86 -0.21 0.00 -0.87 0.00 0.00 58.31 57.89 3djm n LYS 57 Cb 0.51 -2.53 -0.03 0.00 0.02 0.00 0.00 35.03 33.00 3djm n LYS 57 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3djm s SER 58 N -0.21 5.63 0.31 3.14 0.15 -0.28 -4.82 113.70 117.62 3djm s SER 58 Ca 0.54 -0.29 0.11 0.00 0.70 0.00 0.00 55.95 57.01 3djm s SER 58 Cb -0.51 -1.26 0.48 0.00 -1.71 0.00 0.00 66.02 63.01 3djm s SER 58 CO 0.63 -0.25 1.69 -0.33 1.20 0.00 0.00 173.24 176.18 3djm h GLU 59 N 1.23 0.02 -6.95 5.44 4.39 -1.94 -3.43 114.58 113.34 3djm h GLU 59 Ca -0.47 -0.01 -0.54 0.00 0.34 0.00 0.00 59.36 58.68 3djm h GLU 59 Cb 1.25 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 30.01 3djm h GLU 59 CO 0.58 0.54 0.78 0.21 -1.16 0.00 0.00 179.01 179.96 3djm s LYS 60 N -3.84 4.11 0.05 2.33 2.20 -1.26 -5.00 119.74 118.33 3djm s LYS 60 Ca -0.02 2.58 0.01 0.00 -0.36 0.00 0.00 55.97 58.18 3djm s LYS 60 Cb 0.13 -2.97 -0.03 0.00 -1.51 0.00 0.00 37.83 33.46 3djm s LYS 60 CO 0.75 -0.54 -0.05 0.14 -0.36 0.00 0.00 175.35 175.29 3djm s VAL 61 N -1.12 0.39 0.05 4.02 -7.23 -1.26 -3.47 120.40 111.78 3djm s VAL 61 Ca 0.53 -1.35 0.03 0.00 -1.81 0.00 0.00 61.98 59.38 3djm s VAL 61 Cb -0.47 -0.91 -0.03 0.00 0.56 0.00 0.00 36.38 35.54 3djm s VAL 61 CO 0.63 -0.63 -0.10 0.42 -0.31 0.00 0.00 175.10 175.11 3djm s THR 62 N -2.35 0.75 -0.14 5.32 -4.23 -1.02 -4.98 115.64 108.98 3djm s THR 62 Ca -0.04 -1.15 -0.05 0.00 -1.18 0.00 0.00 61.69 59.26 3djm s THR 62 Cb -0.03 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 72.99 3djm s THR 62 CO -0.03 -0.32 0.04 0.00 -0.54 0.00 0.00 174.62 173.77 3djm s ALA 63 N -1.33 3.37 -0.14 3.99 0.00 -1.26 -0.45 121.76 125.95 3djm s ALA 63 Ca -0.07 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.15 3djm s ALA 63 Cb -0.10 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.28 3djm s ALA 63 CO 0.01 0.35 -0.18 0.00 0.00 0.00 0.00 175.76 175.94 3djm h PRO 65 N 7.57 0.50 0.15 0.00 0.11 -1.99 0.15 132.00 138.49 3djm h PRO 65 Ca -0.35 -0.03 -0.31 0.00 0.11 0.00 0.00 66.00 65.42 3djm h PRO 65 Cb 1.17 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3djm h PRO 65 CO 0.54 0.33 -1.57 -0.07 -0.21 0.00 0.00 178.00 177.02 3djm h LEU 66 N 0.52 0.50 0.01 2.35 3.38 -2.02 -3.41 115.31 116.64 3djm h LEU 66 Ca 0.31 -0.90 -0.35 0.00 0.09 0.00 0.00 57.88 57.02 3djm h LEU 66 Cb 0.50 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 3djm h LEU 66 CO -0.10 1.70 -2.19 0.29 0.09 0.00 0.00 178.44 178.23 3djm n LYS 67 N -3.76 0.67 0.00 1.13 5.02 -1.02 -4.58 118.16 115.62 3djm n LYS 67 Ca -0.25 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 3djm n LYS 67 Cb 0.98 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 3djm n LYS 67 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3djm n GLY 68 N 1.81 0.20 3.64 0.72 0.00 0.50 -0.46 105.19 111.60 3djm n GLY 68 Ca -0.31 -2.06 -0.40 0.00 0.00 0.00 0.00 46.02 43.26 3djm n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3djm s GLU 69 N 0.00 4.13 -0.23 1.61 2.12 -1.26 -0.75 118.70 124.33 3djm s GLU 69 Ca 0.00 0.38 -0.23 0.00 0.36 0.00 0.00 54.97 55.49 3djm s GLU 69 Cb 0.00 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.77 3djm s GLU 69 CO 0.00 -0.25 0.73 0.00 -0.54 0.00 0.00 175.26 175.20 3djm s ALA 70 N 1.97 3.60 0.13 6.30 0.00 0.41 -4.15 121.76 130.02 3djm s ALA 70 Ca 0.23 -0.23 -0.14 0.00 0.00 0.00 0.00 51.96 51.81 3djm s ALA 70 Cb -0.15 -3.14 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 3djm s ALA 70 CO 0.09 -0.79 0.53 -1.12 0.00 0.00 0.00 175.76 174.48 3djm s SER 71 N 1.33 6.83 0.22 0.00 0.01 0.15 -2.43 113.70 119.82 3djm s SER 71 Ca 0.31 1.06 0.08 0.00 1.31 0.00 0.00 55.95 58.72 3djm s SER 71 Cb -0.16 -2.28 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 3djm s SER 71 CO 0.09 0.14 0.03 -0.31 0.41 0.00 0.00 173.24 173.59 3djm s TYR 72 N -1.41 2.82 0.01 2.43 1.51 -1.23 -0.33 117.35 121.16 3djm s TYR 72 Ca 0.36 -0.17 0.00 0.00 -1.01 0.00 0.00 57.07 56.25 3djm s TYR 72 Cb -0.15 -1.30 -0.01 0.00 -0.11 0.00 0.00 41.96 40.38 3djm s TYR 72 CO 0.19 0.56 -0.02 0.71 -1.11 0.00 0.00 175.55 175.88 3djm s TYR 73 N -2.04 0.17 0.02 2.71 1.51 0.58 -1.13 117.35 119.17 3djm s TYR 73 Ca 0.30 -0.28 -0.04 0.00 -1.01 0.00 0.00 57.07 56.04 3djm s TYR 73 Cb -0.08 -0.12 -0.04 0.00 -0.11 0.00 0.00 41.96 41.61 3djm s TYR 73 CO 0.20 -0.09 0.24 -1.12 -1.11 0.00 0.00 175.55 173.67 3djm s SER 74 N -0.77 6.43 -0.14 2.29 0.01 -0.15 -1.63 113.70 119.74 3djm s SER 74 Ca -0.08 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.63 3djm s SER 74 Cb -0.05 -2.04 -0.01 0.00 0.21 0.00 0.00 66.02 64.13 3djm s SER 74 CO -0.00 0.22 -0.14 -0.63 0.41 0.00 0.00 173.24 173.10 3djm s ILE 75 N -1.38 2.88 -0.06 1.44 1.01 -0.53 -0.98 121.20 123.57 3djm s ILE 75 Ca 0.30 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 3djm s ILE 75 Cb -0.13 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 3djm s ILE 75 CO 0.20 0.52 0.21 -0.69 0.00 0.00 0.00 174.94 175.18 3djm s VAL 76 N 0.51 5.38 0.13 2.92 1.01 -1.26 0.05 120.40 129.15 3djm s VAL 76 Ca -0.10 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 3djm s VAL 76 Cb -0.16 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.73 3djm s VAL 76 CO 0.04 0.53 0.20 0.61 0.00 0.00 0.00 175.10 176.48 3djm n GLY 77 N 1.66 2.56 0.37 4.51 0.00 -0.58 -4.92 105.19 108.78 3djm n GLY 77 Ca -0.16 -1.40 0.10 0.00 0.00 0.00 0.00 46.02 44.55 3djm n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djm h ALA 78 N 1.72 1.66 -0.00 4.61 0.00 -1.98 -1.97 119.26 123.30 3djm h ALA 78 Ca -0.10 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3djm h ALA 78 Cb 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3djm h ALA 78 CO 0.14 0.08 -0.36 0.43 0.00 0.00 0.00 179.25 179.54 3djm n SER 79 N -4.60 0.63 0.00 0.00 7.64 -1.26 -5.05 113.62 110.98 3djm n SER 79 Ca 0.19 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.63 3djm n SER 79 Cb 0.42 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 3djm n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3djm n GLY 80 N 1.43 0.66 3.75 0.23 0.00 -0.74 -5.06 105.19 105.46 3djm n GLY 80 Ca 0.08 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 3djm n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3djm s THR 81 N -1.18 4.70 -0.62 2.61 2.01 -1.26 -1.52 115.64 120.37 3djm s THR 81 Ca 0.00 1.64 -0.16 0.00 0.31 0.00 0.00 61.69 63.47 3djm s THR 81 Cb 0.00 -4.12 0.14 0.00 0.01 0.00 0.00 72.50 68.54 3djm s THR 81 CO 0.00 0.38 0.62 -0.76 -0.69 0.00 0.00 174.62 174.17 3djm s LEU 82 N -0.14 6.08 0.12 4.42 1.43 0.11 -4.95 118.68 125.75 3djm s LEU 82 Ca 0.38 -1.90 -0.31 0.00 -1.03 0.00 0.00 54.13 51.27 3djm s LEU 82 Cb -0.21 -2.24 -0.09 0.00 0.03 0.00 0.00 46.19 43.69 3djm s LEU 82 CO 0.23 -0.87 1.57 -0.75 0.23 0.00 0.00 176.35 176.76 3djm s LYS 83 N 1.60 4.22 -1.18 1.70 2.47 -1.26 -1.46 119.74 125.83 3djm s LYS 83 Ca 0.09 2.30 -0.05 0.00 -1.56 0.00 0.00 55.97 56.75 3djm s LYS 83 Cb -0.24 -3.34 0.04 0.00 -1.46 0.00 0.00 37.83 32.83 3djm s LYS 83 CO 0.01 -0.63 0.29 -0.25 0.16 0.00 0.00 175.35 174.93 3djm n ASP 84 N 4.60 -3.91 -0.07 1.43 8.00 -1.22 -4.83 116.55 120.55 3djm n ASP 84 Ca 0.14 -0.13 0.14 0.00 0.71 0.00 0.00 54.79 55.66 3djm n ASP 84 Cb 0.40 -3.27 0.67 0.00 -0.02 0.00 0.00 41.12 38.90 3djm n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3djm n ALA 85 N -2.99 2.67 -2.56 2.24 0.00 -0.64 -4.75 120.51 114.48 3djm n ALA 85 Ca -0.07 -0.22 -0.09 0.00 0.00 0.00 0.00 53.44 53.05 3djm n ALA 85 Cb 0.57 -1.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.52 3djm n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3djm s ALA 86 N -2.49 0.46 0.16 0.00 0.00 -0.85 -0.93 121.76 118.11 3djm s ALA 86 Ca 0.29 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 3djm s ALA 86 Cb 0.20 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 3djm s ALA 86 CO 0.47 -0.21 0.15 1.67 0.00 0.00 0.00 175.76 177.84 3djm s TRP 87 N -2.52 0.79 -0.20 0.00 -2.14 -0.44 -0.31 118.94 114.12 3djm s TRP 87 Ca -0.04 -1.13 -0.17 0.00 2.66 0.00 0.00 56.10 57.43 3djm s TRP 87 Cb -0.02 -0.36 0.06 0.00 -3.10 0.00 0.00 33.47 30.04 3djm s TRP 87 CO -0.04 -0.62 0.53 0.45 -2.66 0.00 0.00 176.95 174.61 3djm s SER 88 N -3.05 -0.59 -0.83 -2.66 0.15 0.55 -1.15 113.70 106.12 3djm s SER 88 Ca 0.26 1.09 -0.21 0.00 0.70 0.00 0.00 55.95 57.79 3djm s SER 88 Cb 0.06 1.07 0.10 0.00 -1.71 0.00 0.00 66.02 65.54 3djm s SER 88 CO 0.04 -0.19 1.09 -0.31 1.20 0.00 0.00 173.24 175.07 3djm s TYR 89 N 0.57 2.89 -0.35 3.44 2.02 -1.26 -0.67 117.35 123.99 3djm s TYR 89 Ca -0.02 -1.01 0.21 0.00 -0.37 0.00 0.00 57.07 55.87 3djm s TYR 89 Cb -0.05 -4.33 0.24 0.00 -0.40 0.00 0.00 41.96 37.43 3djm s TYR 89 CO -0.03 -1.59 1.51 0.93 -1.57 0.00 0.00 175.55 174.80 3djm h GLU 90 N 9.21 0.00 -2.18 -0.62 5.08 -1.89 -1.75 114.58 122.42 3djm h GLU 90 Ca -0.01 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.77 3djm h GLU 90 Cb 1.04 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.90 3djm h GLU 90 CO 1.17 0.12 -0.96 0.43 -1.00 0.00 0.00 179.01 178.77 3djm n SER 91 N -3.10 0.78 -4.76 1.42 7.64 -1.26 -4.35 113.62 110.00 3djm n SER 91 Ca 0.03 -2.77 -0.33 0.00 1.01 0.00 0.00 58.87 56.81 3djm n SER 91 Cb 0.59 -0.63 0.07 0.00 -1.01 0.00 0.00 64.21 63.22 3djm n SER 91 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3djm s PRO 92 N -1.13 2.52 0.96 1.43 0.02 -1.26 -4.69 135.00 132.85 3djm s PRO 92 Ca 0.35 1.44 -0.12 0.00 0.02 0.00 0.00 61.00 62.69 3djm s PRO 92 Cb 0.12 -1.91 0.16 0.00 0.02 0.00 0.00 34.50 32.90 3djm s PRO 92 CO -0.12 -1.48 1.09 0.15 -0.33 0.00 0.00 177.00 176.31 3djm s LYS 93 N -4.19 0.75 0.32 5.54 1.02 0.40 -4.79 119.74 118.79 3djm s LYS 93 Ca 0.68 0.84 -0.29 0.00 0.02 0.00 0.00 55.97 57.21 3djm s LYS 93 Cb -0.22 -1.75 -0.11 0.00 -0.52 0.00 0.00 37.83 35.23 3djm s LYS 93 CO 0.45 -2.60 1.56 -2.00 -0.92 0.00 0.00 175.35 171.84 3djm s GLU 94 N -4.84 4.11 0.00 1.68 2.12 -1.26 -2.03 118.70 118.49 3djm s GLU 94 Ca 0.65 2.58 0.00 0.00 0.36 0.00 0.00 54.97 58.56 3djm s GLU 94 Cb -0.20 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.19 3djm s GLU 94 CO 0.58 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 3djm n GLY 95 N 1.54 2.94 0.89 -1.50 0.00 -1.26 -4.90 105.19 102.90 3djm n GLY 95 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.13 3djm n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3djm n LEU 96 N 0.00 3.83 0.25 0.99 4.77 -0.86 -4.70 117.00 121.28 3djm n LEU 96 Ca 0.00 -3.21 0.17 0.00 -0.03 0.00 0.00 56.01 52.94 3djm n LEU 96 Cb 0.00 -0.56 0.72 0.00 -2.33 0.00 0.00 43.42 41.25 3djm n LEU 96 CO 0.00 0.82 0.99 -0.33 -1.33 0.00 0.00 177.39 177.54 3djm h GLU 97 N 1.43 0.00 -0.02 3.23 3.07 -1.87 -2.71 114.58 117.71 3djm h GLU 97 Ca 0.06 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.92 3djm h GLU 97 Cb 1.47 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.38 3djm h GLU 97 CO 0.25 0.00 0.01 0.00 -1.40 0.00 0.00 179.01 177.87 3djm h ALA 98 N 2.05 1.87 -0.65 3.43 0.00 -1.96 -2.38 119.26 121.62 3djm h ALA 98 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3djm h ALA 98 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3djm h ALA 98 CO 0.00 -0.02 0.00 0.44 0.00 0.00 0.00 179.25 179.67 3djm n ILE 99 N -4.32 1.73 -1.67 0.00 -5.35 -1.02 -4.95 119.36 103.77 3djm n ILE 99 Ca -0.03 -1.19 -0.44 0.00 -0.27 0.00 0.00 62.75 60.83 3djm n ILE 99 Cb 0.11 0.18 -0.04 0.00 -1.74 0.00 0.00 39.64 38.15 3djm n ILE 99 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3djm n ALA 100 N 1.14 1.47 -0.70 -1.28 0.00 -0.90 -1.46 120.51 118.79 3djm n ALA 100 Ca 0.25 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3djm n ALA 100 Cb 0.85 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.68 3djm n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3djm n GLY 101 N 4.45 1.56 3.80 0.00 0.00 -0.66 -4.97 105.19 109.38 3djm n GLY 101 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 3djm n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3djm s TYR 102 N -3.65 3.01 -0.09 1.61 1.51 -0.54 -4.23 117.35 114.97 3djm s TYR 102 Ca 0.00 1.52 -0.03 0.00 -1.01 0.00 0.00 57.07 57.55 3djm s TYR 102 Cb 0.00 -3.01 -0.03 0.00 -0.11 0.00 0.00 41.96 38.80 3djm s TYR 102 CO 0.00 -1.03 0.04 -0.51 -1.11 0.00 0.00 175.55 172.93 3djm s LEU 103 N -4.29 3.79 0.30 -1.29 2.01 0.40 -4.13 118.68 115.46 3djm s LEU 103 Ca 0.64 0.22 0.08 0.00 0.01 0.00 0.00 54.13 55.09 3djm s LEU 103 Cb -0.16 -1.89 -0.06 0.00 0.01 0.00 0.00 46.19 44.09 3djm s LEU 103 CO 0.34 0.38 -0.09 0.00 1.01 0.00 0.00 176.35 177.99 3djm s ALA 104 N -0.93 2.59 -0.00 4.21 0.00 -0.30 0.29 121.76 127.62 3djm s ALA 104 Ca 0.14 -1.96 0.02 0.00 0.00 0.00 0.00 51.96 50.16 3djm s ALA 104 Cb -0.11 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 3djm s ALA 104 CO 0.03 0.02 -0.06 -0.06 0.00 0.00 0.00 175.76 175.69 3djm s PHE 105 N -2.82 0.55 -0.08 0.00 0.40 -1.26 -1.33 117.98 113.44 3djm s PHE 105 Ca 0.30 -0.13 -0.30 0.00 -0.60 0.00 0.00 56.93 56.21 3djm s PHE 105 Cb 0.02 -0.35 -0.05 0.00 0.51 0.00 0.00 43.02 43.15 3djm s PHE 105 CO 0.14 -0.01 1.61 0.00 0.70 0.00 0.00 175.22 177.65 3djm s ALA 106 N -0.23 3.59 -0.48 5.36 0.00 -0.11 -4.91 121.76 124.98 3djm s ALA 106 Ca 0.01 0.84 0.23 0.00 0.00 0.00 0.00 51.96 53.05 3djm s ALA 106 Cb -0.03 -3.74 0.98 0.00 0.00 0.00 0.00 23.12 20.33 3djm s ALA 106 CO -0.00 -1.42 1.70 -0.35 0.00 0.00 0.00 175.76 175.69 3djm n PRO 107 N 7.11 0.19 0.29 0.00 -0.04 -1.26 -2.28 135.00 139.01 3djm n PRO 107 Ca 0.17 0.43 0.17 0.00 -0.04 0.00 0.00 63.50 64.23 3djm n PRO 107 Cb 0.43 -1.87 0.85 0.00 -0.04 0.00 0.00 33.50 32.88 3djm n PRO 107 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3djm h ASP 108 N 0.00 0.00 0.00 3.54 2.03 -1.99 -3.31 116.42 116.69 3djm h ASP 108 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3djm h ASP 108 Cb 0.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 3djm h ASP 108 CO 0.00 0.04 0.00 0.00 -1.03 0.00 0.00 179.24 178.25 3djm s THR 110 N 0.00 0.76 -0.08 0.00 -4.23 -0.97 -4.71 115.64 106.41 3djm s THR 110 Ca 0.00 -1.96 0.04 0.00 -1.18 0.00 0.00 61.69 58.59 3djm s THR 110 Cb 0.00 -1.74 0.00 0.00 1.34 0.00 0.00 72.50 72.10 3djm s THR 110 CO 0.00 -0.82 -0.21 -0.75 -0.54 0.00 0.00 174.62 172.29 3djm s LYS 111 N -3.83 2.60 -0.01 3.99 2.20 0.14 -4.45 119.74 120.37 3djm s LYS 111 Ca 0.14 -0.78 0.07 0.00 -0.36 0.00 0.00 55.97 55.04 3djm s LYS 111 Cb 0.05 -2.04 -0.02 0.00 -1.51 0.00 0.00 37.83 34.31 3djm s LYS 111 CO -0.03 0.20 -0.21 0.08 -0.36 0.00 0.00 175.35 175.02 3djm s VAL 112 N 0.27 1.68 0.00 4.02 1.01 -1.26 -1.07 120.40 125.05 3djm s VAL 112 Ca -0.14 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.91 3djm s VAL 112 Cb -0.16 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.82 3djm s VAL 112 CO 0.06 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3djm n GLY 113 N 2.51 0.74 3.76 4.51 0.00 -0.84 -5.01 105.19 110.87 3djm n GLY 113 Ca -0.15 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 3djm n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3djm s GLN 114 N -2.00 4.79 0.00 1.61 0.74 -1.26 -1.29 119.66 122.26 3djm s GLN 114 Ca 0.00 1.48 0.30 0.00 0.05 0.00 0.00 55.36 57.18 3djm s GLN 114 Cb 0.00 -3.18 1.78 0.00 1.10 0.00 0.00 33.01 32.70 3djm s GLN 114 CO 0.00 0.46 2.11 0.98 -0.55 0.00 0.00 175.29 178.28