#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dj7 s ASN 2 N 0.00 0.11 0.25 7.83 -0.87 -1.26 -5.09 114.94 115.92 1dj7 s ASN 2 Ca 0.00 -0.33 -0.30 0.00 -1.57 0.00 0.00 52.86 50.66 1dj7 s ASN 2 Cb 0.00 0.16 -0.10 0.00 -0.02 0.00 0.00 41.25 41.29 1dj7 s ASN 2 CO 0.00 -0.34 1.49 -0.69 -2.57 0.00 0.00 177.10 174.99 1dj7 s VAL 3 N -1.41 2.51 0.00 1.60 1.01 -1.26 -1.56 120.40 121.28 1dj7 s VAL 3 Ca -0.15 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1dj7 s VAL 3 Cb -0.09 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1dj7 s VAL 3 CO 0.01 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1dj7 n GLY 4 N 2.33 2.28 3.77 4.51 0.00 0.55 -4.98 105.19 113.64 1dj7 n GLY 4 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1dj7 n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dj7 s ASP 5 N -1.45 6.47 0.03 1.61 1.01 -0.60 -4.66 116.67 119.08 1dj7 s ASP 5 Ca 0.00 2.82 -0.21 0.00 0.71 0.00 0.00 52.55 55.86 1dj7 s ASP 5 Cb 0.00 -2.65 -0.06 0.00 1.01 0.00 0.00 42.92 41.22 1dj7 s ASP 5 CO 0.00 -0.76 0.63 -0.13 0.21 0.00 0.00 175.17 175.12 1dj7 s ARG 6 N -2.03 4.34 0.06 8.23 0.52 -1.26 -0.25 118.95 128.57 1dj7 s ARG 6 Ca 0.53 0.81 0.02 0.00 -0.52 0.00 0.00 55.73 56.57 1dj7 s ARG 6 Cb -0.42 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 31.70 1dj7 s ARG 6 CO 0.56 0.41 -0.07 0.14 0.02 0.00 0.00 175.30 176.36 1dj7 s VAL 7 N -0.38 0.56 -0.12 3.52 -7.23 -0.56 -0.32 120.40 115.88 1dj7 s VAL 7 Ca 0.32 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 1dj7 s VAL 7 Cb -0.19 -1.08 -0.02 0.00 0.56 0.00 0.00 36.38 35.65 1dj7 s VAL 7 CO 0.19 -0.62 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.63 1dj7 s ARG 8 N -2.62 3.24 -0.44 4.82 3.52 -0.45 -1.35 118.95 125.66 1dj7 s ARG 8 Ca -0.00 -0.68 -0.28 0.00 -0.13 0.00 0.00 55.73 54.64 1dj7 s ARG 8 Cb -0.03 -2.60 0.00 0.00 -1.56 0.00 0.00 34.95 30.76 1dj7 s ARG 8 CO -0.02 0.30 1.53 0.08 -0.81 0.00 0.00 175.30 176.37 1dj7 s VAL 9 N 0.14 3.74 -0.13 7.11 1.01 0.02 -1.50 120.40 130.79 1dj7 s VAL 9 Ca -0.06 0.71 0.19 0.00 0.00 0.00 0.00 61.98 62.81 1dj7 s VAL 9 Cb -0.15 -4.11 -0.24 0.00 0.00 0.00 0.00 36.38 31.88 1dj7 s VAL 9 CO 0.05 -0.79 0.40 0.35 0.00 0.00 0.00 175.10 175.11 1dj7 n THR 10 N 7.12 0.98 -2.56 3.92 -2.24 -0.61 -0.19 114.28 120.70 1dj7 n THR 10 Ca 0.17 -0.72 -0.27 0.00 -2.27 0.00 0.00 64.05 60.97 1dj7 n THR 10 Cb 0.48 -0.44 0.01 0.00 -2.10 0.00 0.00 70.33 68.29 1dj7 n THR 10 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1dj7 s SER 11 N -5.34 5.98 -0.16 3.42 0.01 -0.94 -4.85 113.70 111.83 1dj7 s SER 11 Ca -0.07 0.81 -0.29 0.00 1.31 0.00 0.00 55.95 57.70 1dj7 s SER 11 Cb 0.09 -2.00 -0.01 0.00 0.21 0.00 0.00 66.02 64.31 1dj7 s SER 11 CO 0.85 -0.77 1.12 -0.55 0.41 0.00 0.00 173.24 174.29 1dj7 s SER 12 N -4.19 7.08 -0.23 2.44 0.15 -1.26 -4.11 113.70 113.58 1dj7 s SER 12 Ca 0.50 1.56 -0.01 0.00 0.70 0.00 0.00 55.95 58.70 1dj7 s SER 12 Cb -0.10 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.73 1dj7 s SER 12 CO 0.45 -0.64 0.02 -0.69 1.20 0.00 0.00 173.24 173.58 1dj7 s VAL 13 N 2.89 0.96 -0.26 4.45 1.01 -1.26 -4.97 120.40 123.22 1dj7 s VAL 13 Ca 0.50 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 1dj7 s VAL 13 Cb -0.19 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1dj7 s VAL 13 CO 0.13 -0.28 0.44 -0.69 0.00 0.00 0.00 175.10 174.70 1dj7 s VAL 14 N 1.64 5.13 0.27 2.92 1.01 -1.26 -0.95 120.40 129.15 1dj7 s VAL 14 Ca -0.00 0.72 0.09 0.00 0.00 0.00 0.00 61.98 62.79 1dj7 s VAL 14 Cb -0.18 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1dj7 s VAL 14 CO -0.11 0.13 -0.13 0.68 0.00 0.00 0.00 175.10 175.67 1dj7 s VAL 15 N 2.14 2.01 0.00 2.92 -7.23 -0.06 -4.87 120.40 115.30 1dj7 s VAL 15 Ca 0.18 -2.24 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 1dj7 s VAL 15 Cb -0.16 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.45 1dj7 s VAL 15 CO 0.09 -0.39 0.72 -1.22 -0.31 0.00 0.00 175.10 173.99 1dj7 n TYR 16 N -0.58 0.00 -0.46 2.82 4.02 -1.26 -1.31 117.16 120.39 1dj7 n TYR 16 Ca -0.06 -0.22 0.06 0.00 -0.01 0.00 0.00 57.90 57.67 1dj7 n TYR 16 Cb 0.62 -0.02 0.15 0.00 -0.02 0.00 0.00 39.34 40.07 1dj7 n TYR 16 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 1dj7 n HIS 17 N -0.22 0.46 -2.13 -0.72 1.44 -1.26 -1.07 115.22 111.71 1dj7 n HIS 17 Ca 0.00 -0.66 -0.41 0.00 -2.01 0.00 0.00 57.72 54.64 1dj7 n HIS 17 Cb 0.12 -0.12 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 1dj7 n HIS 17 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1dj7 s HIS 18 N -1.69 3.16 0.63 -1.40 5.04 -1.26 -4.89 115.29 114.88 1dj7 s HIS 18 Ca 0.25 1.14 0.36 0.00 -1.54 0.00 0.00 55.06 55.27 1dj7 s HIS 18 Cb 0.17 -3.69 2.07 0.00 0.04 0.00 0.00 32.58 31.17 1dj7 s HIS 18 CO 0.10 -2.20 2.29 -1.00 -2.34 0.00 0.00 174.74 171.58 1dj7 h PRO 19 N 5.26 0.00 -0.00 2.88 0.13 -1.92 -0.76 132.00 137.59 1dj7 h PRO 19 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1dj7 h PRO 19 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1dj7 h PRO 19 CO 0.78 0.00 -0.60 0.39 -0.23 0.00 0.00 178.00 178.34 1dj7 n GLU 20 N -3.50 0.11 -2.73 0.86 1.02 -1.26 -4.31 120.64 110.83 1dj7 n GLU 20 Ca -0.03 -0.07 -0.05 0.00 -0.02 0.00 0.00 57.16 56.99 1dj7 n GLU 20 Cb 0.10 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.07 1dj7 n GLU 20 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1dj7 n HIS 21 N -1.38 1.37 -1.65 -0.32 8.25 -0.38 -5.10 115.22 116.00 1dj7 n HIS 21 Ca 0.06 -2.36 -0.47 0.00 -0.26 0.00 0.00 57.72 54.68 1dj7 n HIS 21 Cb 0.34 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 31.13 1dj7 n HIS 21 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1dj7 n LYS 22 N -0.44 1.94 -0.78 -0.41 5.02 -0.67 -1.53 118.16 121.28 1dj7 n LYS 22 Ca 0.11 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 1dj7 n LYS 22 Cb 0.81 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 1dj7 n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1dj7 n LYS 23 N 3.43 -0.21 -4.35 1.97 5.02 -0.23 -4.98 118.16 118.80 1dj7 n LYS 23 Ca 0.18 0.05 -0.27 0.00 -2.02 0.00 0.00 58.31 56.25 1dj7 n LYS 23 Cb 0.27 -3.70 -0.13 0.00 -0.02 0.00 0.00 35.03 31.45 1dj7 n LYS 23 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1dj7 s THR 24 N -2.18 2.06 0.09 -0.18 -4.23 -0.58 -5.01 115.64 105.62 1dj7 s THR 24 Ca 0.00 -1.71 -0.31 0.00 -1.18 0.00 0.00 61.69 58.49 1dj7 s THR 24 Cb 0.00 -1.85 -0.08 0.00 1.34 0.00 0.00 72.50 71.90 1dj7 s THR 24 CO 0.00 0.01 1.60 0.00 -0.54 0.00 0.00 174.62 175.69 1dj7 s ALA 25 N -1.18 3.69 -0.05 3.99 0.00 -1.26 -4.32 121.76 122.64 1dj7 s ALA 25 Ca 0.12 1.22 -0.02 0.00 0.00 0.00 0.00 51.96 53.28 1dj7 s ALA 25 Cb -0.10 -3.66 0.04 0.00 0.00 0.00 0.00 23.12 19.40 1dj7 s ALA 25 CO 0.06 -0.99 0.09 0.12 0.00 0.00 0.00 175.76 175.04 1dj7 s PHE 26 N 2.19 -0.03 -0.08 0.00 5.36 -0.43 -4.94 117.98 120.04 1dj7 s PHE 26 Ca 0.72 0.34 -0.25 0.00 -0.96 0.00 0.00 56.93 56.78 1dj7 s PHE 26 Cb -0.40 -0.32 -0.03 0.00 -0.34 0.00 0.00 43.02 41.93 1dj7 s PHE 26 CO 0.31 -0.18 0.77 0.34 -1.46 0.00 0.00 175.22 175.00 1dj7 s ASP 27 N 1.83 7.03 0.00 6.13 -1.08 -1.26 -0.89 116.67 128.43 1dj7 s ASP 27 Ca -0.00 1.25 0.26 0.00 -0.52 0.00 0.00 52.55 53.53 1dj7 s ASP 27 Cb -0.12 -2.44 0.70 0.00 -1.46 0.00 0.00 42.92 39.59 1dj7 s ASP 27 CO -0.04 -0.20 1.55 0.18 0.52 0.00 0.00 175.17 177.17 1dj7 n LEU 28 N 4.16 0.38 -4.60 -1.34 4.77 -0.13 -4.93 117.00 115.31 1dj7 n LEU 28 Ca 0.01 0.12 -0.53 0.00 -0.03 0.00 0.00 56.01 55.58 1dj7 n LEU 28 Cb 0.51 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1dj7 n LEU 28 CO 0.48 0.09 0.94 1.67 -1.33 0.00 0.00 177.39 179.24 1dj7 n GLN 29 N -1.49 1.07 0.00 3.23 7.27 -1.26 -1.11 117.38 125.10 1dj7 n GLN 29 Ca 0.06 0.39 0.00 0.00 0.07 0.00 0.00 57.00 57.52 1dj7 n GLN 29 Cb 0.34 -2.03 0.00 0.00 2.41 0.00 0.00 30.24 30.96 1dj7 n GLN 29 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1dj7 n GLY 30 N 2.69 3.33 3.76 1.69 0.00 0.73 -4.99 105.19 112.40 1dj7 n GLY 30 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1dj7 n GLY 30 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dj7 s MET 31 N -0.68 3.18 -0.05 1.61 -1.94 -0.26 -4.68 119.30 116.48 1dj7 s MET 31 Ca 0.00 1.71 0.06 0.00 -1.71 0.00 0.00 55.69 55.74 1dj7 s MET 31 Cb 0.00 -1.97 -0.01 0.00 2.01 0.00 0.00 34.83 34.86 1dj7 s MET 31 CO 0.00 -1.01 -0.23 -1.21 -0.01 0.00 0.00 175.02 172.56 1dj7 s GLU 32 N -3.32 2.25 0.00 2.03 2.02 -1.26 -0.80 118.70 119.63 1dj7 s GLU 32 Ca 0.75 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.91 1dj7 s GLU 32 Cb -0.27 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.00 1dj7 s GLU 32 CO 0.30 0.37 0.00 0.41 0.02 0.00 0.00 175.26 176.36 1dj7 n GLY 33 N 2.91 4.30 3.08 -1.39 0.00 -0.46 -4.70 105.19 108.93 1dj7 n GLY 33 Ca -0.17 -1.19 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 1dj7 n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dj7 s GLU 34 N 0.80 1.12 0.07 1.61 2.02 -0.16 -1.49 118.70 122.66 1dj7 s GLU 34 Ca 0.00 -0.46 -0.31 0.00 0.02 0.00 0.00 54.97 54.22 1dj7 s GLU 34 Cb 0.00 -1.06 -0.07 0.00 0.10 0.00 0.00 34.13 33.10 1dj7 s GLU 34 CO 0.00 0.25 1.44 0.08 0.02 0.00 0.00 175.26 177.05 1dj7 s VAL 35 N -0.20 3.38 -0.11 2.63 1.01 0.66 -0.57 120.40 127.19 1dj7 s VAL 35 Ca 0.03 0.91 0.17 0.00 0.00 0.00 0.00 61.98 63.09 1dj7 s VAL 35 Cb -0.06 -3.58 -0.24 0.00 0.00 0.00 0.00 36.38 32.49 1dj7 s VAL 35 CO -0.00 0.04 0.19 0.00 0.00 0.00 0.00 175.10 175.33 1dj7 n ALA 36 N 4.68 2.01 -3.50 5.51 0.00 0.61 -0.33 120.51 129.48 1dj7 n ALA 36 Ca 0.13 -0.86 -0.11 0.00 0.00 0.00 0.00 53.44 52.59 1dj7 n ALA 36 Cb 0.42 -0.32 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 1dj7 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dj7 s ALA 37 N -2.75 -1.79 -0.27 0.00 0.00 -1.17 -4.88 121.76 110.89 1dj7 s ALA 37 Ca -0.08 1.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.95 1dj7 s ALA 37 Cb 0.08 0.23 0.08 0.00 0.00 0.00 0.00 23.12 23.51 1dj7 s ALA 37 CO 0.73 -0.58 0.03 0.08 0.00 0.00 0.00 175.76 176.02 1dj7 s VAL 38 N -2.55 1.21 -0.51 0.00 1.01 -1.26 -1.73 120.40 116.58 1dj7 s VAL 38 Ca 0.00 -1.33 -0.28 0.00 0.00 0.00 0.00 61.98 60.37 1dj7 s VAL 38 Cb -0.01 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1dj7 s VAL 38 CO -0.05 -0.41 1.40 -0.76 0.00 0.00 0.00 175.10 175.29 1dj7 s LEU 39 N 1.49 3.48 0.00 3.92 1.43 0.00 -4.76 118.68 124.24 1dj7 s LEU 39 Ca 0.03 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 1dj7 s LEU 39 Cb -0.18 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1dj7 s LEU 39 CO -0.14 -1.60 0.00 0.35 0.23 0.00 0.00 176.35 175.19 1dj7 n THR 40 N 6.94 0.00 -3.49 5.49 -2.24 -1.26 -4.77 114.28 114.95 1dj7 n THR 40 Ca 0.14 -0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 1dj7 n THR 40 Cb 0.49 0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 69.35 1dj7 n THR 40 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1dj7 s GLU 41 N -0.95 0.99 -0.26 -0.78 1.03 -1.26 -2.49 118.70 114.98 1dj7 s GLU 41 Ca 0.00 -0.38 0.02 0.00 0.03 0.00 0.00 54.97 54.64 1dj7 s GLU 41 Cb 0.00 0.45 0.06 0.00 -0.80 0.00 0.00 34.13 33.84 1dj7 s GLU 41 CO 0.00 -0.44 -0.09 -0.46 -1.33 0.00 0.00 175.26 172.95 1dj7 s TRP 42 N -3.33 3.05 -1.26 4.83 -0.00 -0.27 -4.77 118.94 117.19 1dj7 s TRP 42 Ca 0.04 -2.21 -0.16 0.00 -0.00 0.00 0.00 56.10 53.77 1dj7 s TRP 42 Cb -0.01 -1.89 0.01 0.00 -0.00 0.00 0.00 33.47 31.58 1dj7 s TRP 42 CO -0.09 -0.86 0.61 1.04 -0.00 0.00 0.00 176.95 177.65 1dj7 n GLN 43 N 4.49 -1.65 -0.30 5.86 6.02 -1.26 -1.58 117.38 128.95 1dj7 n GLN 43 Ca -0.12 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1dj7 n GLN 43 Cb 0.43 -3.90 0.00 0.00 1.02 0.00 0.00 30.24 27.78 1dj7 n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1dj7 n GLY 44 N -1.91 2.15 3.37 1.08 0.00 -1.26 -4.99 105.19 103.63 1dj7 n GLY 44 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1dj7 n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dj7 s ARG 45 N -0.03 2.82 0.22 1.61 0.52 -0.62 -5.05 118.95 118.42 1dj7 s ARG 45 Ca 0.00 -1.08 -0.31 0.00 -0.52 0.00 0.00 55.73 53.82 1dj7 s ARG 45 Cb 0.00 -3.72 -0.15 0.00 0.52 0.00 0.00 34.95 31.60 1dj7 s ARG 45 CO 0.00 -0.70 1.04 -2.30 0.02 0.00 0.00 175.30 173.36 1dj7 n PRO 46 N 4.99 1.10 -4.47 3.54 -0.02 -1.26 -1.11 135.00 137.76 1dj7 n PRO 46 Ca -0.12 0.39 -0.23 0.00 -2.02 0.00 0.00 63.50 61.52 1dj7 n PRO 46 Cb 0.46 -1.79 -0.10 0.00 -0.02 0.00 0.00 33.50 32.05 1dj7 n PRO 46 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1dj7 s ILE 47 N -0.61 2.13 -0.29 4.25 -4.36 -1.04 -4.79 121.20 116.49 1dj7 s ILE 47 Ca 0.67 -2.26 0.11 0.00 -0.26 0.00 0.00 60.65 58.91 1dj7 s ILE 47 Cb -0.81 -2.42 0.59 0.00 1.25 0.00 0.00 42.46 41.08 1dj7 s ILE 47 CO 0.56 -0.34 1.59 -1.54 0.24 0.00 0.00 174.94 175.45 1dj7 n SER 48 N -0.64 3.60 -4.62 4.36 3.41 -1.26 -4.68 113.62 113.79 1dj7 n SER 48 Ca -0.05 -3.41 -0.50 0.00 -0.26 0.00 0.00 58.87 54.64 1dj7 n SER 48 Cb 0.62 -0.66 -0.05 0.00 -0.26 0.00 0.00 64.21 63.85 1dj7 n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dj7 n ALA 49 N -0.73 -0.09 -0.22 7.33 0.00 -1.26 -4.86 120.51 120.69 1dj7 n ALA 49 Ca 0.35 0.49 0.12 0.00 0.00 0.00 0.00 53.44 54.40 1dj7 n ALA 49 Cb 1.16 -2.18 0.30 0.00 0.00 0.00 0.00 19.45 18.73 1dj7 n ALA 49 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1dj7 n ASN 50 N 2.81 3.84 -3.39 0.00 6.94 -1.26 -4.27 115.26 119.92 1dj7 n ASN 50 Ca 0.18 -2.00 -0.26 0.00 -0.02 0.00 0.00 54.58 52.48 1dj7 n ASN 50 Cb 0.23 -0.43 -0.09 0.00 -2.36 0.00 0.00 39.78 37.13 1dj7 n ASN 50 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1dj7 n LEU 51 N 1.60 0.79 0.10 -4.53 4.77 -1.26 -4.58 117.00 113.88 1dj7 n LEU 51 Ca 0.23 -4.74 0.13 0.00 -0.03 0.00 0.00 56.01 51.59 1dj7 n LEU 51 Cb 0.62 0.25 0.33 0.00 -2.33 0.00 0.00 43.42 42.28 1dj7 n LEU 51 CO 0.16 1.95 0.73 1.55 -1.33 0.00 0.00 177.39 180.46 1dj7 h PRO 52 N 4.80 0.00 -4.95 3.23 0.13 -1.64 -3.34 132.00 130.23 1dj7 h PRO 52 Ca 0.17 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.61 1dj7 h PRO 52 Cb 0.84 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.79 1dj7 h PRO 52 CO 0.51 0.00 -0.09 0.08 -0.23 0.00 0.00 178.00 178.27 1dj7 s VAL 53 N -3.13 4.99 -0.24 1.56 1.01 -0.09 -0.82 120.40 123.68 1dj7 s VAL 53 Ca 0.09 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 1dj7 s VAL 53 Cb 0.12 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1dj7 s VAL 53 CO 0.64 -0.57 0.45 -0.22 0.00 0.00 0.00 175.10 175.40 1dj7 s LEU 54 N 2.36 4.08 -0.11 3.92 2.96 -0.70 -0.57 118.68 130.62 1dj7 s LEU 54 Ca 0.14 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 1dj7 s LEU 54 Cb -0.18 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.94 1dj7 s LEU 54 CO 0.14 -0.20 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.08 1dj7 s VAL 55 N 1.92 2.46 -0.18 1.68 1.01 -0.35 -0.28 120.40 126.66 1dj7 s VAL 55 Ca 0.19 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 1dj7 s VAL 55 Cb -0.15 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 1dj7 s VAL 55 CO 0.09 0.55 0.15 -0.54 0.00 0.00 0.00 175.10 175.34 1dj7 s LYS 56 N 0.31 4.03 0.48 2.72 1.02 0.26 -1.73 119.74 126.83 1dj7 s LYS 56 Ca -0.15 -0.17 0.04 0.00 0.02 0.00 0.00 55.97 55.70 1dj7 s LYS 56 Cb -0.17 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.74 1dj7 s LYS 56 CO 0.07 0.40 0.07 -0.06 -0.92 0.00 0.00 175.35 174.92 1dj7 s PHE 57 N 0.05 2.09 0.93 3.18 0.40 0.44 -0.99 117.98 124.08 1dj7 s PHE 57 Ca 0.10 -0.83 -0.11 0.00 -0.60 0.00 0.00 56.93 55.49 1dj7 s PHE 57 Cb -0.11 -1.73 0.15 0.00 0.51 0.00 0.00 43.02 41.83 1dj7 s PHE 57 CO -0.00 0.20 1.09 -1.83 0.70 0.00 0.00 175.22 175.38 1dj7 s GLU 58 N -3.88 0.97 -0.83 0.44 4.04 -1.26 -3.55 118.70 114.63 1dj7 s GLU 58 Ca 0.21 1.06 -0.03 0.00 0.04 0.00 0.00 54.97 56.24 1dj7 s GLU 58 Cb 0.04 -1.76 0.00 0.00 0.02 0.00 0.00 34.13 32.43 1dj7 s GLU 58 CO 0.11 -2.50 0.42 1.04 -1.84 0.00 0.00 175.26 172.48 1dj7 n GLN 59 N -4.10 -3.14 -3.93 -4.83 6.02 -1.26 -3.61 117.38 102.54 1dj7 n GLN 59 Ca 0.08 0.49 -0.28 0.00 -0.01 0.00 0.00 57.00 57.28 1dj7 n GLN 59 Cb 0.54 -4.48 -0.01 0.00 1.02 0.00 0.00 30.24 27.31 1dj7 n GLN 59 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1dj7 n ARG 60 N -2.66 -2.65 -4.92 -1.09 -4.01 -1.26 -4.85 116.66 95.22 1dj7 n ARG 60 Ca -0.05 0.38 -0.27 0.00 -1.04 0.00 0.00 57.85 56.88 1dj7 n ARG 60 Cb 0.56 -4.30 -0.16 0.00 -3.04 0.00 0.00 32.46 25.52 1dj7 n ARG 60 CO 0.00 0.00 0.00 0.12 -3.04 0.00 0.00 177.63 174.71 1dj7 s PHE 61 N -3.88 1.78 0.05 2.89 5.36 -1.23 -4.94 117.98 118.01 1dj7 s PHE 61 Ca 0.11 -0.43 -0.00 0.00 -0.96 0.00 0.00 56.93 55.65 1dj7 s PHE 61 Cb -0.04 -1.17 -0.03 0.00 -0.34 0.00 0.00 43.02 41.43 1dj7 s PHE 61 CO 0.89 -0.10 -0.04 -1.59 -1.46 0.00 0.00 175.22 172.92 1dj7 s LYS 62 N -0.22 0.55 0.08 10.12 -2.85 -1.26 -0.42 119.74 125.74 1dj7 s LYS 62 Ca 0.02 -1.02 -0.17 0.00 -1.00 0.00 0.00 55.97 53.80 1dj7 s LYS 62 Cb -0.10 0.08 0.03 0.00 -2.06 0.00 0.00 37.83 35.79 1dj7 s LYS 62 CO 0.01 -0.07 0.39 0.00 0.10 0.00 0.00 175.35 175.78 1dj7 s ALA 63 N -2.95 -0.92 -0.05 0.59 0.00 -0.70 -4.99 121.76 112.73 1dj7 s ALA 63 Ca -0.00 0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.02 1dj7 s ALA 63 Cb 0.01 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 1dj7 s ALA 63 CO -0.06 -0.54 0.08 -1.01 0.00 0.00 0.00 175.76 174.23 1dj7 s HIS 64 N -3.15 3.34 0.07 0.00 3.76 -1.26 -1.22 115.29 116.83 1dj7 s HIS 64 Ca -0.01 0.28 0.00 0.00 -0.15 0.00 0.00 55.06 55.18 1dj7 s HIS 64 Cb 0.01 -1.80 -0.04 0.00 1.11 0.00 0.00 32.58 31.86 1dj7 s HIS 64 CO -0.07 0.58 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.29 1dj7 s PHE 65 N -1.08 0.68 0.60 1.40 0.40 0.26 -4.95 117.98 115.28 1dj7 s PHE 65 Ca 0.19 -1.01 -0.13 0.00 -0.60 0.00 0.00 56.93 55.38 1dj7 s PHE 65 Cb -0.12 -0.44 -0.05 0.00 0.51 0.00 0.00 43.02 42.92 1dj7 s PHE 65 CO 0.09 -0.28 1.02 1.03 0.70 0.00 0.00 175.22 177.78 1dj7 s ARG 66 N -3.89 3.61 0.44 0.44 0.52 -1.26 -0.92 118.95 117.90 1dj7 s ARG 66 Ca 0.09 0.86 0.11 0.00 -0.52 0.00 0.00 55.73 56.27 1dj7 s ARG 66 Cb 0.07 -2.08 0.98 0.00 0.52 0.00 0.00 34.95 34.44 1dj7 s ARG 66 CO -0.08 -0.55 2.06 -1.35 0.02 0.00 0.00 175.30 175.40 1dj7 h PRO 67 N 0.05 0.30 0.00 3.54 0.11 -1.94 -1.71 132.00 132.35 1dj7 h PRO 67 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1dj7 h PRO 67 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1dj7 h PRO 67 CO 0.61 0.24 0.00 -0.40 -0.21 0.00 0.00 178.00 178.24 1dj7 n ASP 68 N -4.46 0.00 -0.01 -2.05 5.68 -1.26 -3.39 116.55 111.06 1dj7 n ASP 68 Ca 0.00 -0.27 0.11 0.00 -0.50 0.00 0.00 54.79 54.12 1dj7 n ASP 68 Cb 0.11 -0.21 -0.01 0.00 -1.14 0.00 0.00 41.12 39.88 1dj7 n ASP 68 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1dj7 n GLU 69 N -1.21 0.02 -4.38 0.11 1.02 -0.64 -4.80 120.64 110.76 1dj7 n GLU 69 Ca 0.14 -0.01 -0.24 0.00 -0.02 0.00 0.00 57.16 57.03 1dj7 n GLU 69 Cb 0.17 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.98 1dj7 n GLU 69 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1dj7 s VAL 70 N -2.99 2.10 -0.05 2.62 -7.23 -1.22 -1.57 120.40 112.06 1dj7 s VAL 70 Ca 0.09 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 1dj7 s VAL 70 Cb 0.16 -2.01 0.01 0.00 0.56 0.00 0.00 36.38 35.11 1dj7 s VAL 70 CO 0.81 -0.26 -0.09 -0.89 -0.31 0.00 0.00 175.10 174.37 1dj7 s THR 71 N -1.98 0.83 0.08 5.32 2.01 -0.57 -4.87 115.64 116.47 1dj7 s THR 71 Ca 0.19 -0.33 -0.32 0.00 0.31 0.00 0.00 61.69 61.55 1dj7 s THR 71 Cb -0.06 -0.78 -0.11 0.00 0.01 0.00 0.00 72.50 71.56 1dj7 s THR 71 CO 0.09 0.28 1.86 -0.11 -0.69 0.00 0.00 174.62 176.04 1dj7 n LEU 72 N 3.70 3.93 0.00 4.42 7.94 -1.26 -1.34 117.00 134.39 1dj7 n LEU 72 Ca -0.22 0.97 0.04 0.00 -1.11 0.00 0.00 56.01 55.69 1dj7 n LEU 72 Cb 0.52 -1.51 0.23 0.00 0.53 0.00 0.00 43.42 43.19 1dj7 n LEU 72 CO 0.25 0.12 0.45 -0.38 -1.11 0.00 0.00 177.39 176.72