#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj1 h SER 2 N 0.00 0.25 0.11 1.61 0.87 -2.07 -2.94 113.55 111.38 2dj1 h SER 2 Ca 0.00 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2dj1 h SER 2 Cb 0.00 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 61.89 2dj1 h SER 2 CO 0.00 0.19 -0.44 -1.28 -0.53 0.00 0.00 176.83 174.76 2dj1 h SER 3 N 0.38 -1.32 -1.96 6.23 0.87 -2.11 -3.49 113.55 112.15 2dj1 h SER 3 Ca 0.17 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2dj1 h SER 3 Cb 0.10 0.49 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2dj1 h SER 3 CO -0.14 -0.50 0.00 0.61 -0.53 0.00 0.00 176.83 176.27 2dj1 n GLY 4 N -1.47 0.65 0.12 5.77 0.00 -1.11 -4.90 105.19 104.24 2dj1 n GLY 4 Ca -0.07 -2.13 -0.23 0.00 0.00 0.00 0.00 46.02 43.59 2dj1 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dj1 n SER 5 N 0.53 1.91 -4.52 1.61 2.88 -1.26 -4.81 113.62 109.97 2dj1 n SER 5 Ca 0.00 0.37 -0.31 0.00 -1.33 0.00 0.00 58.87 57.60 2dj1 n SER 5 Cb 0.00 -0.92 0.17 0.00 -0.75 0.00 0.00 64.21 62.71 2dj1 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dj1 n SER 6 N -4.26 -1.05 0.00 -3.46 2.88 -1.26 -4.83 113.62 101.64 2dj1 n SER 6 Ca -0.36 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2dj1 n SER 6 Cb 0.77 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 2dj1 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj1 n GLY 7 N 0.96 0.35 4.19 0.46 0.00 -1.26 -5.01 105.19 104.87 2dj1 n GLY 7 Ca 0.08 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.74 2dj1 n GLY 7 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dj1 n ASP 8 N 0.00 -0.79 -4.42 1.61 5.75 -1.26 -4.71 116.55 112.72 2dj1 n ASP 8 Ca 0.00 -1.13 -0.50 0.00 -0.01 0.00 0.00 54.79 53.16 2dj1 n ASP 8 Cb 0.00 -1.43 -0.04 0.00 -1.03 0.00 0.00 41.12 38.63 2dj1 n ASP 8 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2dj1 n ASP 9 N -2.26 -0.94 -0.10 -1.12 -0.08 -1.26 -4.92 116.55 105.87 2dj1 n ASP 9 Ca -0.03 1.14 -0.15 0.00 -1.51 0.00 0.00 54.79 54.23 2dj1 n ASP 9 Cb 0.48 -0.96 -0.05 0.00 2.34 0.00 0.00 41.12 42.93 2dj1 n ASP 9 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2dj1 n ASP 10 N 1.90 1.94 -4.46 1.67 9.92 -1.26 -4.78 116.55 121.47 2dj1 n ASP 10 Ca 0.18 0.35 -0.44 0.00 -0.53 0.00 0.00 54.79 54.36 2dj1 n ASP 10 Cb 0.22 -0.78 -0.02 0.00 -0.64 0.00 0.00 41.12 39.91 2dj1 n ASP 10 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2dj1 s LEU 11 N -7.81 4.96 0.31 0.64 1.43 -1.26 -5.01 118.68 111.94 2dj1 s LEU 11 Ca -0.31 -2.23 0.01 0.00 -1.03 0.00 0.00 54.13 50.57 2dj1 s LEU 11 Cb 0.07 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 2dj1 s LEU 11 CO 0.44 -1.02 0.50 -0.70 0.23 0.00 0.00 176.35 175.81 2dj1 s GLU 12 N 2.58 3.49 -0.04 1.70 2.12 -1.26 -4.98 118.70 122.30 2dj1 s GLU 12 Ca 0.36 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.31 2dj1 s GLU 12 Cb -0.04 -2.71 0.02 0.00 0.26 0.00 0.00 34.13 31.66 2dj1 s GLU 12 CO -0.07 0.22 -0.02 0.08 -0.54 0.00 0.00 175.26 174.93 2dj1 s VAL 13 N -2.21 0.35 0.34 3.70 1.01 -1.26 -4.86 120.40 117.47 2dj1 s VAL 13 Ca 0.39 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.42 2dj1 s VAL 13 Cb -0.10 -0.44 0.06 0.00 0.00 0.00 0.00 36.38 35.91 2dj1 s VAL 13 CO 0.34 0.20 0.46 2.29 0.00 0.00 0.00 175.10 178.39 2dj1 n LYS 14 N 4.32 0.54 -3.67 2.72 2.85 -1.26 -4.96 118.16 118.71 2dj1 n LYS 14 Ca -0.22 -1.53 -0.15 0.00 -1.05 0.00 0.00 58.31 55.37 2dj1 n LYS 14 Cb 0.50 -0.23 -0.07 0.00 -0.65 0.00 0.00 35.03 34.58 2dj1 n LYS 14 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2dj1 s GLU 15 N -3.56 0.83 -0.26 -1.58 1.03 -1.26 -1.81 118.70 112.09 2dj1 s GLU 15 Ca 0.33 -0.07 -0.02 0.00 0.03 0.00 0.00 54.97 55.24 2dj1 s GLU 15 Cb -0.02 0.38 0.08 0.00 -0.80 0.00 0.00 34.13 33.76 2dj1 s GLU 15 CO 0.21 -0.25 0.07 -1.21 -1.33 0.00 0.00 175.26 172.75 2dj1 s GLU 16 N -1.44 0.68 -1.39 -4.83 2.02 0.87 -4.82 118.70 109.79 2dj1 s GLU 16 Ca -0.12 -0.74 -0.03 0.00 0.02 0.00 0.00 54.97 54.10 2dj1 s GLU 16 Cb -0.03 -1.98 0.02 0.00 0.10 0.00 0.00 34.13 32.23 2dj1 s GLU 16 CO 0.05 -0.83 0.28 0.09 0.02 0.00 0.00 175.26 174.88 2dj1 n ASN 17 N 4.97 -4.89 0.00 -0.19 4.13 -1.26 -0.31 115.26 117.71 2dj1 n ASN 17 Ca -0.06 -0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.09 2dj1 n ASN 17 Cb 0.44 -4.04 0.00 0.00 -1.54 0.00 0.00 39.78 34.64 2dj1 n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dj1 n GLY 18 N -1.13 0.68 3.47 7.41 0.00 -1.26 -4.76 105.19 109.60 2dj1 n GLY 18 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 2dj1 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dj1 s VAL 19 N -2.19 4.52 0.10 1.61 1.01 0.58 -4.55 120.40 121.47 2dj1 s VAL 19 Ca 0.00 -0.23 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 2dj1 s VAL 19 Cb 0.00 -4.53 -0.08 0.00 0.00 0.00 0.00 36.38 31.78 2dj1 s VAL 19 CO 0.00 -1.16 1.41 0.26 0.00 0.00 0.00 175.10 175.61 2dj1 s TRP 20 N 3.57 3.15 -0.43 5.22 0.52 -0.21 -0.09 118.94 130.66 2dj1 s TRP 20 Ca 0.22 0.90 -0.21 0.00 0.02 0.00 0.00 56.10 57.03 2dj1 s TRP 20 Cb -0.17 -3.70 0.02 0.00 -1.15 0.00 0.00 33.47 28.48 2dj1 s TRP 20 CO 0.13 -2.47 0.68 0.08 0.02 0.00 0.00 176.95 175.39 2dj1 s VAL 21 N 1.34 4.78 0.29 4.03 1.01 -0.75 -1.74 120.40 129.36 2dj1 s VAL 21 Ca 0.65 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.94 2dj1 s VAL 21 Cb -0.36 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 2dj1 s VAL 21 CO 0.30 -0.61 0.27 -0.76 0.00 0.00 0.00 175.10 174.30 2dj1 s LEU 22 N 2.94 3.80 0.22 3.92 1.43 -1.03 -4.14 118.68 125.83 2dj1 s LEU 22 Ca 0.25 -0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 52.86 2dj1 s LEU 22 Cb -0.14 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 43.73 2dj1 s LEU 22 CO 0.20 -0.19 0.58 0.54 0.23 0.00 0.00 176.35 177.71 2dj1 s ASN 23 N -3.94 -0.27 0.27 2.29 4.22 -1.26 -4.55 114.94 111.71 2dj1 s ASN 23 Ca 0.37 -0.53 0.14 0.00 -2.14 0.00 0.00 52.86 50.69 2dj1 s ASN 23 Cb -0.07 0.62 0.76 0.00 1.28 0.00 0.00 41.25 43.84 2dj1 s ASN 23 CO 0.26 -1.14 1.36 -0.90 -2.04 0.00 0.00 177.10 174.64 2dj1 n ASP 24 N -0.38 0.36 -0.01 3.54 5.75 -1.26 0.24 116.55 124.79 2dj1 n ASP 24 Ca -0.08 0.60 -0.13 0.00 -0.01 0.00 0.00 54.79 55.17 2dj1 n ASP 24 Cb 0.62 -0.60 -0.14 0.00 -1.03 0.00 0.00 41.12 39.97 2dj1 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dj1 n GLY 25 N -1.30 -0.83 0.10 6.12 0.00 -1.26 -4.31 105.19 103.71 2dj1 n GLY 25 Ca -0.01 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 45.92 2dj1 n GLY 25 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2dj1 n ASN 26 N -3.22 2.24 0.18 1.61 0.23 0.26 -4.73 115.26 111.83 2dj1 n ASN 26 Ca -0.22 -2.39 -0.07 0.00 -0.53 0.00 0.00 54.58 51.36 2dj1 n ASN 26 Cb 1.05 -0.17 -0.04 0.00 -2.08 0.00 0.00 39.78 38.54 2dj1 n ASN 26 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2dj1 h PHE 27 N 0.19 -0.47 -0.20 -2.53 3.57 0.29 -1.74 116.94 116.05 2dj1 h PHE 27 Ca 0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2dj1 h PHE 27 Cb 0.71 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 2dj1 h PHE 27 CO 0.03 -0.28 0.08 0.22 -2.23 0.00 0.00 178.31 176.14 2dj1 h ASP 28 N -0.47 0.27 -0.93 0.41 1.82 -1.86 -1.55 116.42 114.10 2dj1 h ASP 28 Ca -0.05 -0.15 0.27 0.00 -0.39 0.00 0.00 57.03 56.71 2dj1 h ASP 28 Cb 0.37 -0.07 -0.04 0.00 0.68 0.00 0.00 39.33 40.27 2dj1 h ASP 28 CO 0.06 0.35 0.75 -1.13 -1.61 0.00 0.00 179.24 177.67 2dj1 h ASN 29 N 0.18 0.00 0.00 2.28 -0.73 -1.85 1.44 115.58 116.90 2dj1 h ASN 29 Ca 0.07 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.24 2dj1 h ASN 29 Cb 0.16 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.75 2dj1 h ASN 29 CO -0.01 0.00 -0.30 0.15 -0.37 0.00 0.00 177.43 176.90 2dj1 h PHE 30 N 0.00 0.00 0.00 0.67 3.57 -0.77 -3.35 116.94 117.06 2dj1 h PHE 30 Ca 0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.94 2dj1 h PHE 30 Cb 1.94 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.68 2dj1 h PHE 30 CO 0.00 0.02 0.00 1.33 -2.23 0.00 0.00 178.31 177.43 2dj1 n VAL 31 N -4.68 0.86 -0.32 1.41 0.24 -0.63 -2.87 118.33 112.34 2dj1 n VAL 31 Ca -0.04 0.21 -0.01 0.00 -2.04 0.00 0.00 64.34 62.46 2dj1 n VAL 31 Cb 0.16 -1.04 0.12 0.00 -1.47 0.00 0.00 33.84 31.61 2dj1 n VAL 31 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dj1 h ALA 32 N 2.47 1.17 -1.20 2.33 0.00 0.18 -2.91 119.26 121.30 2dj1 h ALA 32 Ca 0.00 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 54.29 2dj1 h ALA 32 Cb 0.12 -0.28 -0.41 0.00 0.00 0.00 0.00 17.79 17.21 2dj1 h ALA 32 CO 0.00 0.37 -0.59 -3.47 0.00 0.00 0.00 179.25 175.56 2dj1 n ASP 33 N -4.56 5.08 -3.55 0.00 2.03 -1.14 -4.96 116.55 109.45 2dj1 n ASP 33 Ca 0.12 -3.74 -0.14 0.00 0.52 0.00 0.00 54.79 51.55 2dj1 n ASP 33 Cb 0.12 -0.48 -0.12 0.00 -0.72 0.00 0.00 41.12 39.92 2dj1 n ASP 33 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2dj1 s LYS 34 N -3.61 0.21 0.13 -0.67 1.02 -1.10 -5.04 119.74 110.69 2dj1 s LYS 34 Ca 0.50 0.56 -0.18 0.00 0.02 0.00 0.00 55.97 56.87 2dj1 s LYS 34 Cb 0.41 -0.45 -0.03 0.00 -0.52 0.00 0.00 37.83 37.23 2dj1 s LYS 34 CO -0.12 -0.47 1.77 -0.44 -0.92 0.00 0.00 175.35 175.17 2dj1 h ASP 35 N 8.27 0.35 -3.23 2.83 3.32 -1.93 -3.40 116.42 122.64 2dj1 h ASP 35 Ca -0.16 -0.04 -0.60 0.00 0.02 0.00 0.00 57.03 56.24 2dj1 h ASP 35 Cb 1.13 -0.09 -0.35 0.00 0.22 0.00 0.00 39.33 40.25 2dj1 h ASP 35 CO 0.20 0.29 -0.84 -0.89 -1.72 0.00 0.00 179.24 176.29 2dj1 s THR 36 N -6.04 1.59 -0.11 0.35 2.01 -1.26 0.09 115.64 112.28 2dj1 s THR 36 Ca -0.13 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 2dj1 s THR 36 Cb 0.09 -1.45 0.03 0.00 0.01 0.00 0.00 72.50 71.18 2dj1 s THR 36 CO 0.71 0.46 -0.03 -0.69 -0.69 0.00 0.00 174.62 174.38 2dj1 s VAL 37 N 1.06 0.73 -0.14 3.82 1.01 -0.06 -4.57 120.40 122.26 2dj1 s VAL 37 Ca -0.04 -0.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.53 2dj1 s VAL 37 Cb -0.15 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 2dj1 s VAL 37 CO -0.03 0.26 0.73 -0.22 0.00 0.00 0.00 175.10 175.84 2dj1 s LEU 38 N 1.82 4.22 -0.04 3.92 2.96 -1.24 -0.51 118.68 129.82 2dj1 s LEU 38 Ca 0.04 1.10 0.06 0.00 -0.22 0.00 0.00 54.13 55.11 2dj1 s LEU 38 Cb -0.13 -3.10 -0.01 0.00 0.50 0.00 0.00 46.19 43.45 2dj1 s LEU 38 CO -0.07 -0.26 -0.22 -0.76 -1.32 0.00 0.00 176.35 173.72 2dj1 s LEU 39 N 1.58 2.02 -0.08 -0.68 1.43 -0.74 -1.82 118.68 120.38 2dj1 s LEU 39 Ca 0.36 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2dj1 s LEU 39 Cb -0.17 -1.21 0.02 0.00 0.03 0.00 0.00 46.19 44.86 2dj1 s LEU 39 CO 0.14 0.23 -0.11 -0.70 0.23 0.00 0.00 176.35 176.14 2dj1 s GLU 40 N -0.23 1.71 -0.04 1.70 2.12 -0.97 0.11 118.70 123.10 2dj1 s GLU 40 Ca 0.00 -0.39 -0.11 0.00 0.36 0.00 0.00 54.97 54.83 2dj1 s GLU 40 Cb -0.12 -1.50 -0.05 0.00 0.26 0.00 0.00 34.13 32.72 2dj1 s GLU 40 CO 0.02 -0.06 0.31 -0.06 -0.54 0.00 0.00 175.26 174.92 2dj1 s PHE 41 N 0.97 3.67 0.27 5.30 0.40 0.15 -0.31 117.98 128.43 2dj1 s PHE 41 Ca -0.09 0.80 -0.02 0.00 -0.60 0.00 0.00 56.93 57.02 2dj1 s PHE 41 Cb -0.15 -2.15 -0.02 0.00 0.51 0.00 0.00 43.02 41.22 2dj1 s PHE 41 CO -0.00 0.67 0.31 1.52 0.70 0.00 0.00 175.22 178.42 2dj1 s TYR 42 N -1.09 1.09 -0.01 0.36 -0.85 -1.05 -2.00 117.35 113.81 2dj1 s TYR 42 Ca 0.21 -1.28 0.02 0.00 -0.52 0.00 0.00 57.07 55.50 2dj1 s TYR 42 Cb -0.15 -0.33 -0.00 0.00 0.38 0.00 0.00 41.96 41.86 2dj1 s TYR 42 CO 0.10 -0.87 -0.06 0.00 -1.52 0.00 0.00 175.55 173.20 2dj1 s ALA 43 N -3.73 0.51 0.30 9.51 0.00 -1.26 -3.56 121.76 123.53 2dj1 s ALA 43 Ca 0.34 -0.26 0.14 0.00 0.00 0.00 0.00 51.96 52.18 2dj1 s ALA 43 Cb 0.03 -0.14 0.64 0.00 0.00 0.00 0.00 23.12 23.65 2dj1 s ALA 43 CO 0.16 0.12 1.76 -1.00 0.00 0.00 0.00 175.76 176.80 2dj1 h PRO 44 N 6.03 0.00 -0.01 0.00 0.13 -2.01 -2.58 132.00 133.56 2dj1 h PRO 44 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2dj1 h PRO 44 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2dj1 h PRO 44 CO 0.50 0.44 -0.07 -2.67 -0.23 0.00 0.00 178.00 175.96 2dj1 n TRP 45 N -3.87 0.00 -3.34 1.56 4.27 -1.26 -4.59 117.44 110.20 2dj1 n TRP 45 Ca -0.01 0.00 -0.46 0.00 -3.89 0.00 0.00 57.50 53.13 2dj1 n TRP 45 Cb 0.48 -0.07 -0.02 0.00 -1.36 0.00 0.00 31.31 30.34 2dj1 n TRP 45 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2dj1 h GLY 47 N 7.63 0.00 0.39 0.00 0.00 -1.83 -2.02 103.07 107.25 2dj1 h GLY 47 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.56 2dj1 h GLY 47 CO 0.78 0.00 0.47 0.84 0.00 0.00 0.00 176.54 178.62 2dj1 h HIS 48 N 0.00 0.84 0.00 5.60 6.17 -1.93 0.30 115.15 126.13 2dj1 h HIS 48 Ca 0.04 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.15 2dj1 h HIS 48 Cb 0.31 -0.25 0.00 0.00 2.52 0.00 0.00 27.41 30.00 2dj1 h HIS 48 CO 0.00 0.29 0.00 0.00 0.71 0.00 0.00 177.93 178.93 2dj1 h LYS 50 N 0.00 0.01 0.00 0.00 1.79 -0.52 1.74 116.57 119.59 2dj1 h LYS 50 Ca 0.00 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2dj1 h LYS 50 Cb 0.14 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2dj1 h LYS 50 CO 0.00 0.01 -0.07 1.96 -1.08 0.00 0.00 179.45 180.27 2dj1 h GLN 51 N 0.01 0.00 0.00 3.15 7.50 -1.58 -2.21 115.11 121.98 2dj1 h GLN 51 Ca 0.03 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.18 2dj1 h GLN 51 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.56 2dj1 h GLN 51 CO -0.05 0.07 -1.61 0.34 -1.50 0.00 0.00 178.83 176.08 2dj1 n PHE 52 N -3.34 0.30 -0.11 2.96 7.35 -0.64 -4.29 117.46 119.69 2dj1 n PHE 52 Ca -0.01 0.09 -0.13 0.00 -0.76 0.00 0.00 57.45 56.64 2dj1 n PHE 52 Cb 0.24 -0.61 -0.09 0.00 0.35 0.00 0.00 39.48 39.36 2dj1 n PHE 52 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dj1 h ALA 53 N 2.07 -0.75 0.00 3.13 0.00 0.33 0.19 119.26 124.22 2dj1 h ALA 53 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dj1 h ALA 53 Cb 0.96 1.08 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2dj1 h ALA 53 CO 0.00 -0.99 0.00 -1.00 0.00 0.00 0.00 179.25 177.26 2dj1 h PRO 54 N -0.38 0.00 0.00 0.00 0.13 -1.79 -2.57 132.00 127.40 2dj1 h PRO 54 Ca 0.06 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.11 2dj1 h PRO 54 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 2dj1 h PRO 54 CO -0.53 0.00 -0.54 1.49 -0.23 0.00 0.00 178.00 178.19 2dj1 h GLU 55 N 0.00 0.00 0.00 0.86 4.81 -0.94 -3.32 114.58 115.99 2dj1 h GLU 55 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2dj1 h GLU 55 Cb 0.37 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 2dj1 h GLU 55 CO 0.00 0.33 -0.14 -0.92 -0.73 0.00 0.00 179.01 177.54 2dj1 h TYR 56 N 0.00 0.00 -1.42 0.92 3.20 -0.44 -3.33 116.97 115.91 2dj1 h TYR 56 Ca -0.02 0.00 0.42 0.00 3.14 0.00 0.00 58.73 62.26 2dj1 h TYR 56 Cb 1.30 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 39.49 2dj1 h TYR 56 CO 0.00 0.60 0.99 1.05 -1.64 0.00 0.00 178.16 179.16 2dj1 h GLU 57 N -1.00 0.06 -0.74 1.82 4.11 -1.69 0.86 114.58 118.00 2dj1 h GLU 57 Ca -0.03 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.33 2dj1 h GLU 57 Cb 0.61 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2dj1 h GLU 57 CO -0.02 0.04 0.22 0.87 0.07 0.00 0.00 179.01 180.19 2dj1 h LYS 58 N 0.06 1.16 -0.45 1.06 1.57 -1.66 -2.62 116.57 115.69 2dj1 h LYS 58 Ca 0.72 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 59.22 2dj1 h LYS 58 Cb 2.66 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 34.78 2dj1 h LYS 58 CO -0.11 0.99 0.18 0.82 -0.57 0.00 0.00 179.45 180.76 2dj1 h ILE 59 N 1.11 1.17 -0.07 1.86 2.04 0.64 -3.05 117.51 121.21 2dj1 h ILE 59 Ca 0.24 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.60 2dj1 h ILE 59 Cb 0.33 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 2dj1 h ILE 59 CO -0.00 0.20 -0.38 0.00 0.00 0.00 0.00 178.15 177.97 2dj1 h ALA 60 N 1.57 -0.78 -0.93 1.87 0.00 -1.32 -0.82 119.26 118.86 2dj1 h ALA 60 Ca 0.15 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.16 2dj1 h ALA 60 Cb 0.12 0.86 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 2dj1 h ALA 60 CO -0.02 -0.91 0.54 0.77 0.00 0.00 0.00 179.25 179.64 2dj1 h SER 61 N -0.43 0.73 0.35 0.00 0.02 -1.62 0.43 113.55 113.02 2dj1 h SER 61 Ca 0.02 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2dj1 h SER 61 Cb 0.49 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 2dj1 h SER 61 CO -0.29 0.33 -0.46 0.74 -1.14 0.00 0.00 176.83 176.00 2dj1 h THR 62 N 0.78 0.00 0.00 -2.27 2.02 -1.17 -2.35 112.91 109.93 2dj1 h THR 62 Ca 0.50 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.61 2dj1 h THR 62 Cb 0.65 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2dj1 h THR 62 CO -0.33 0.00 -0.34 -0.07 0.37 0.00 0.00 175.52 175.15 2dj1 h LEU 63 N -0.84 0.00 -0.81 2.58 3.38 -0.76 -2.96 115.31 115.89 2dj1 h LEU 63 Ca -0.04 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.13 2dj1 h LEU 63 Cb 0.76 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.38 2dj1 h LEU 63 CO -0.12 0.34 0.14 0.50 0.09 0.00 0.00 178.44 179.39 2dj1 h LYS 64 N 0.00 0.17 0.03 1.13 3.64 0.39 0.98 116.57 122.92 2dj1 h LYS 64 Ca -0.00 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.12 2dj1 h LYS 64 Cb 0.63 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 2dj1 h LYS 64 CO 0.04 0.12 -1.21 0.22 -2.27 0.00 0.00 179.45 176.35 2dj1 h ASP 65 N 0.18 0.10 -2.22 4.20 3.58 -1.41 -3.40 116.42 117.45 2dj1 h ASP 65 Ca 0.48 -0.12 -0.56 0.00 0.42 0.00 0.00 57.03 57.24 2dj1 h ASP 65 Cb 0.90 -0.03 0.22 0.00 1.72 0.00 0.00 39.33 42.14 2dj1 h ASP 65 CO -0.64 1.10 -1.42 -3.20 -2.88 0.00 0.00 179.24 172.20 2dj1 n ASN 66 N -3.33 -4.59 -4.15 2.28 5.15 0.33 -4.72 115.26 106.24 2dj1 n ASN 66 Ca -0.06 0.37 -0.32 0.00 -0.60 0.00 0.00 54.58 53.97 2dj1 n ASN 66 Cb 0.98 -0.86 -0.16 0.00 -0.53 0.00 0.00 39.78 39.20 2dj1 n ASN 66 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2dj1 s ASP 67 N -1.12 3.08 0.96 1.20 1.11 -1.26 -1.84 116.67 118.81 2dj1 s ASP 67 Ca 0.49 -0.61 -0.12 0.00 0.18 0.00 0.00 52.55 52.49 2dj1 s ASP 67 Cb -0.29 -1.44 0.17 0.00 1.07 0.00 0.00 42.92 42.43 2dj1 s ASP 67 CO 0.74 0.05 1.09 -2.16 1.18 0.00 0.00 175.17 176.07 2dj1 s PRO 68 N 1.00 0.70 -0.71 8.23 0.04 -1.26 -5.00 135.00 138.00 2dj1 s PRO 68 Ca -0.03 0.62 -0.26 0.00 0.04 0.00 0.00 61.00 61.38 2dj1 s PRO 68 Cb -0.15 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2dj1 s PRO 68 CO -0.06 -2.57 1.89 -1.25 0.04 0.00 0.00 177.00 175.05 2dj1 s PRO 69 N -4.95 2.60 0.46 0.56 0.04 -0.77 -4.97 135.00 127.98 2dj1 s PRO 69 Ca 0.65 0.31 -0.11 0.00 0.04 0.00 0.00 61.00 61.88 2dj1 s PRO 69 Cb -0.18 -4.61 -0.06 0.00 0.04 0.00 0.00 34.50 29.68 2dj1 s PRO 69 CO 0.57 -2.95 0.85 0.42 0.04 0.00 0.00 177.00 175.93 2dj1 s ILE 70 N 9.40 4.74 -0.16 0.56 1.01 -1.20 -4.99 121.20 130.56 2dj1 s ILE 70 Ca 0.68 0.73 0.01 0.00 0.00 0.00 0.00 60.65 62.06 2dj1 s ILE 70 Cb -0.11 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.62 2dj1 s ILE 70 CO 0.13 -0.67 -0.17 0.00 0.00 0.00 0.00 174.94 174.24 2dj1 s ALA 71 N -2.56 2.07 0.07 9.38 0.00 -1.26 -3.75 121.76 125.71 2dj1 s ALA 71 Ca 0.53 -1.04 -0.23 0.00 0.00 0.00 0.00 51.96 51.21 2dj1 s ALA 71 Cb -0.10 -1.11 -0.06 0.00 0.00 0.00 0.00 23.12 21.85 2dj1 s ALA 71 CO 0.35 -0.36 0.70 0.08 0.00 0.00 0.00 175.76 176.53 2dj1 s VAL 72 N 1.39 4.69 0.22 0.00 1.01 -1.26 -3.59 120.40 122.86 2dj1 s VAL 72 Ca 0.05 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.52 2dj1 s VAL 72 Cb -0.13 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2dj1 s VAL 72 CO -0.12 0.45 0.15 0.00 0.00 0.00 0.00 175.10 175.58 2dj1 s ALA 73 N -0.52 1.32 0.04 5.51 0.00 -0.76 -1.04 121.76 126.32 2dj1 s ALA 73 Ca 0.34 -1.76 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 2dj1 s ALA 73 Cb -0.20 1.37 -0.04 0.00 0.00 0.00 0.00 23.12 24.25 2dj1 s ALA 73 CO 0.22 -0.59 -0.03 -1.59 0.00 0.00 0.00 175.76 173.77 2dj1 s LYS 74 N -4.05 0.55 -0.04 0.00 -2.85 -0.71 -2.29 119.74 110.35 2dj1 s LYS 74 Ca 0.39 -1.09 -0.03 0.00 -1.00 0.00 0.00 55.97 54.23 2dj1 s LYS 74 Cb 0.06 0.19 0.01 0.00 -2.06 0.00 0.00 37.83 36.03 2dj1 s LYS 74 CO 0.14 -0.10 0.09 0.42 0.10 0.00 0.00 175.35 176.01 2dj1 s ILE 75 N -3.42 -0.00 -0.94 3.79 1.01 0.57 -2.47 121.20 119.75 2dj1 s ILE 75 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 60.65 60.49 2dj1 s ILE 75 Cb 0.04 -0.14 0.14 0.00 0.01 0.00 0.00 42.46 42.51 2dj1 s ILE 75 CO -0.08 0.00 1.12 -0.62 0.00 0.00 0.00 174.94 175.36 2dj1 s ASP 76 N 0.05 6.67 0.28 3.58 2.15 -1.26 -2.51 116.67 125.62 2dj1 s ASP 76 Ca -0.00 -2.15 -0.03 0.00 0.43 0.00 0.00 52.55 50.80 2dj1 s ASP 76 Cb -0.01 -2.39 0.56 0.00 -0.30 0.00 0.00 42.92 40.79 2dj1 s ASP 76 CO 0.00 -1.01 1.46 0.00 -0.17 0.00 0.00 175.17 175.46 2dj1 n ALA 77 N 6.31 0.34 -0.32 3.66 0.00 -1.23 0.12 120.51 129.39 2dj1 n ALA 77 Ca 0.24 1.02 0.18 0.00 0.00 0.00 0.00 53.44 54.88 2dj1 n ALA 77 Cb 0.49 -0.67 0.38 0.00 0.00 0.00 0.00 19.45 19.64 2dj1 n ALA 77 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2dj1 h THR 78 N 0.00 0.37 0.20 0.00 1.35 -1.90 -0.01 112.91 112.91 2dj1 h THR 78 Ca 0.51 -0.12 -0.34 0.00 -0.55 0.00 0.00 66.41 65.91 2dj1 h THR 78 Cb 0.91 -0.00 0.02 0.00 -1.73 0.00 0.00 68.15 67.34 2dj1 h THR 78 CO -0.93 0.06 -1.60 -1.28 -0.25 0.00 0.00 175.52 171.53 2dj1 h SER 79 N 0.35 0.66 -3.37 5.36 0.87 0.52 -3.43 113.55 114.51 2dj1 h SER 79 Ca 0.64 -0.84 -0.71 0.00 -1.23 0.00 0.00 61.79 59.64 2dj1 h SER 79 Cb 1.33 -0.21 -0.20 0.00 -0.44 0.00 0.00 62.40 62.87 2dj1 h SER 79 CO -0.58 1.69 -0.23 0.00 -0.53 0.00 0.00 176.83 177.18 2dj1 s ALA 80 N -2.60 3.48 -0.16 6.23 0.00 0.00 -4.92 121.76 123.79 2dj1 s ALA 80 Ca -0.12 -1.83 -0.20 0.00 0.00 0.00 0.00 51.96 49.81 2dj1 s ALA 80 Cb 0.05 -3.11 -0.23 0.00 0.00 0.00 0.00 23.12 19.84 2dj1 s ALA 80 CO 0.89 -1.72 0.40 0.77 0.00 0.00 0.00 175.76 176.09 2dj1 h SER 81 N 8.79 0.13 0.46 0.00 0.02 -1.84 -3.20 113.55 117.91 2dj1 h SER 81 Ca -0.28 -0.71 -0.01 0.00 -0.84 0.00 0.00 61.79 59.95 2dj1 h SER 81 Cb 1.11 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 2dj1 h SER 81 CO 0.86 1.48 -0.42 -0.03 -1.14 0.00 0.00 176.83 177.58 2dj1 h MET 82 N -0.73 -0.83 -0.83 3.45 1.85 -1.92 -0.93 114.93 114.99 2dj1 h MET 82 Ca -0.29 0.06 0.14 0.00 -0.61 0.00 0.00 59.70 58.99 2dj1 h MET 82 Cb 1.44 0.19 -0.09 0.00 0.43 0.00 0.00 31.60 33.57 2dj1 h MET 82 CO -0.09 -0.55 0.42 -0.07 -0.40 0.00 0.00 176.91 176.23 2dj1 h LEU 83 N -0.86 0.52 0.01 3.39 3.38 -1.97 -0.50 115.31 119.28 2dj1 h LEU 83 Ca -0.06 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2dj1 h LEU 83 Cb 0.74 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 2dj1 h LEU 83 CO -0.03 0.24 -0.22 0.00 0.09 0.00 0.00 178.44 178.52 2dj1 h ALA 84 N 1.53 -0.29 -0.09 1.53 0.00 -1.46 -1.58 119.26 118.90 2dj1 h ALA 84 Ca 0.44 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 2dj1 h ALA 84 Cb 0.59 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2dj1 h ALA 84 CO -0.34 -0.72 -0.10 0.77 0.00 0.00 0.00 179.25 178.85 2dj1 h SER 85 N -0.35 0.12 0.15 0.00 0.02 -0.40 0.16 113.55 113.24 2dj1 h SER 85 Ca 0.06 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2dj1 h SER 85 Cb 0.43 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 2dj1 h SER 85 CO -0.19 0.24 -0.29 0.50 -1.14 0.00 0.00 176.83 175.94 2dj1 h LYS 86 N 0.12 -0.51 -0.96 3.45 3.64 -0.11 -1.77 116.57 120.44 2dj1 h LYS 86 Ca 0.03 0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 59.16 2dj1 h LYS 86 Cb 0.26 0.12 -0.17 0.00 -0.41 0.00 0.00 32.23 32.03 2dj1 h LYS 86 CO 0.02 -0.34 0.35 1.19 -2.27 0.00 0.00 179.45 178.40 2dj1 n PHE 87 N -5.40 1.86 -4.31 1.91 3.72 -1.02 -4.88 117.46 109.34 2dj1 n PHE 87 Ca -0.07 -1.21 -0.34 0.00 -0.05 0.00 0.00 57.45 55.78 2dj1 n PHE 87 Cb 0.31 -0.64 -0.09 0.00 -0.94 0.00 0.00 39.48 38.12 2dj1 n PHE 87 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2dj1 n ASP 88 N -0.40 -0.11 -4.55 4.37 5.68 -0.67 -4.76 116.55 116.12 2dj1 n ASP 88 Ca 0.35 -1.21 -0.37 0.00 -0.50 0.00 0.00 54.79 53.05 2dj1 n ASP 88 Cb 1.19 -1.52 -0.03 0.00 -1.14 0.00 0.00 41.12 39.61 2dj1 n ASP 88 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2dj1 s VAL 89 N -3.88 3.46 -0.31 2.12 1.01 0.53 -4.81 120.40 118.52 2dj1 s VAL 89 Ca 0.31 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.48 2dj1 s VAL 89 Cb -0.18 -4.18 0.45 0.00 0.00 0.00 0.00 36.38 32.47 2dj1 s VAL 89 CO 0.97 -1.14 1.18 -1.20 0.00 0.00 0.00 175.10 174.91 2dj1 n SER 90 N 12.13 4.86 0.00 3.32 7.64 -1.26 -4.79 113.62 135.52 2dj1 n SER 90 Ca 0.20 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 56.35 2dj1 n SER 90 Cb 0.51 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2dj1 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dj1 n GLY 91 N -0.67 1.09 3.48 0.23 0.00 -1.26 -5.18 105.19 102.88 2dj1 n GLY 91 Ca 0.43 -0.95 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 2dj1 n GLY 91 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dj1 s TYR 92 N -2.00 -0.61 0.53 1.61 1.51 -1.26 -4.20 117.35 112.93 2dj1 s TYR 92 Ca 0.00 0.82 -0.20 0.00 -1.01 0.00 0.00 57.07 56.68 2dj1 s TYR 92 Cb 0.00 0.47 -0.06 0.00 -0.11 0.00 0.00 41.96 42.26 2dj1 s TYR 92 CO 0.00 -0.70 1.14 -1.25 -1.11 0.00 0.00 175.55 173.63 2dj1 s PRO 93 N -2.16 3.44 -0.01 -1.71 0.04 -1.26 -5.01 135.00 128.34 2dj1 s PRO 93 Ca -0.06 1.65 0.02 0.00 0.04 0.00 0.00 61.00 62.64 2dj1 s PRO 93 Cb -0.00 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2dj1 s PRO 93 CO 0.01 -0.78 -0.05 0.99 0.04 0.00 0.00 177.00 177.21 2dj1 s THR 94 N -1.72 0.44 0.06 1.26 2.01 -0.85 -5.03 115.64 111.81 2dj1 s THR 94 Ca 0.71 -0.20 0.10 0.00 0.31 0.00 0.00 61.69 62.60 2dj1 s THR 94 Cb -0.25 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 2dj1 s THR 94 CO 0.28 0.14 -0.26 -0.63 -0.69 0.00 0.00 174.62 173.46 2dj1 s ILE 95 N 0.08 2.21 0.15 1.82 1.01 -1.26 0.31 121.20 125.53 2dj1 s ILE 95 Ca -0.01 -1.46 -0.03 0.00 0.00 0.00 0.00 60.65 59.15 2dj1 s ILE 95 Cb -0.05 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 2dj1 s ILE 95 CO -0.00 0.30 0.14 -0.54 0.00 0.00 0.00 174.94 174.83 2dj1 s LYS 96 N -1.44 1.04 -0.05 2.79 -0.14 0.12 -3.81 119.74 118.25 2dj1 s LYS 96 Ca 0.12 -1.40 0.01 0.00 -1.36 0.00 0.00 55.97 53.34 2dj1 s LYS 96 Cb -0.10 0.29 0.02 0.00 -1.68 0.00 0.00 37.83 36.36 2dj1 s LYS 96 CO 0.03 -0.33 -0.04 0.42 -0.76 0.00 0.00 175.35 174.67 2dj1 s ILE 97 N -4.05 0.52 -0.23 2.17 1.01 -1.16 -1.80 121.20 117.67 2dj1 s ILE 97 Ca 0.25 -0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.72 2dj1 s ILE 97 Cb 0.06 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 2dj1 s ILE 97 CO 0.03 0.23 0.10 -0.22 0.00 0.00 0.00 174.94 175.08 2dj1 s LEU 98 N 1.03 3.77 -0.36 2.97 2.96 0.34 -1.22 118.68 128.16 2dj1 s LEU 98 Ca -0.09 -0.03 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 2dj1 s LEU 98 Cb -0.14 -2.00 0.10 0.00 0.50 0.00 0.00 46.19 44.65 2dj1 s LEU 98 CO -0.01 0.05 0.07 -0.75 -1.32 0.00 0.00 176.35 174.40 2dj1 s LYS 99 N 1.13 1.51 -1.05 1.98 2.47 0.07 -0.88 119.74 124.97 2dj1 s LYS 99 Ca 0.05 -1.94 0.00 0.00 -1.56 0.00 0.00 55.97 52.53 2dj1 s LYS 99 Cb -0.14 -3.19 0.00 0.00 -1.46 0.00 0.00 37.83 33.04 2dj1 s LYS 99 CO 0.04 -0.96 0.00 1.63 0.16 0.00 0.00 175.35 176.22 2dj1 n LYS 100 N 4.15 -2.06 0.00 4.03 4.76 0.11 0.08 118.16 129.23 2dj1 n LYS 100 Ca 0.04 0.59 0.00 0.00 -2.87 0.00 0.00 58.31 56.07 2dj1 n LYS 100 Cb 0.41 -5.11 0.00 0.00 -1.84 0.00 0.00 35.03 28.49 2dj1 n LYS 100 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dj1 n GLY 101 N -0.67 1.05 3.37 0.72 0.00 -1.26 -5.08 105.19 103.31 2dj1 n GLY 101 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 2dj1 n GLY 101 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dj1 s GLN 102 N -0.63 3.45 0.01 1.61 2.00 0.11 -5.08 119.66 121.12 2dj1 s GLN 102 Ca 0.00 -0.60 -0.30 0.00 -2.00 0.00 0.00 55.36 52.46 2dj1 s GLN 102 Cb 0.00 -3.17 -0.03 0.00 0.80 0.00 0.00 33.01 30.60 2dj1 s GLN 102 CO 0.00 -0.22 1.03 0.00 -0.50 0.00 0.00 175.29 175.60 2dj1 s ALA 103 N 1.53 3.23 -0.32 1.58 0.00 -1.26 -0.75 121.76 125.77 2dj1 s ALA 103 Ca 0.06 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.63 2dj1 s ALA 103 Cb -0.15 -3.37 0.10 0.00 0.00 0.00 0.00 23.12 19.70 2dj1 s ALA 103 CO 0.00 -0.30 0.06 0.08 0.00 0.00 0.00 175.76 175.60 2dj1 s VAL 104 N 1.10 1.77 0.19 0.00 1.01 -0.35 -5.00 120.40 119.12 2dj1 s VAL 104 Ca 0.53 -1.97 -0.32 0.00 0.00 0.00 0.00 61.98 60.22 2dj1 s VAL 104 Cb -0.23 -2.30 -0.11 0.00 0.00 0.00 0.00 36.38 33.74 2dj1 s VAL 104 CO 0.28 -0.60 1.70 -1.81 0.00 0.00 0.00 175.10 174.66 2dj1 s ASP 105 N 1.17 6.43 -0.11 3.32 1.01 -1.26 -2.97 116.67 124.26 2dj1 s ASP 105 Ca 0.10 2.80 -0.15 0.00 0.71 0.00 0.00 52.55 56.00 2dj1 s ASP 105 Cb -0.18 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.10 2dj1 s ASP 105 CO -0.14 -0.94 0.37 -0.47 0.21 0.00 0.00 175.17 174.20 2dj1 s TYR 106 N 1.34 3.54 -0.26 4.23 5.04 -1.25 -5.01 117.35 124.98 2dj1 s TYR 106 Ca 0.74 0.77 0.01 0.00 -2.44 0.00 0.00 57.07 56.15 2dj1 s TYR 106 Cb -0.48 -2.38 0.07 0.00 0.35 0.00 0.00 41.96 39.52 2dj1 s TYR 106 CO 0.32 0.32 0.00 -0.51 -1.34 0.00 0.00 175.55 174.34 2dj1 s ASP 107 N 0.15 3.93 0.00 4.32 1.01 -1.26 -4.90 116.67 119.92 2dj1 s ASP 107 Ca 0.21 -1.38 0.00 0.00 0.71 0.00 0.00 52.55 52.09 2dj1 s ASP 107 Cb -0.14 -1.13 0.00 0.00 1.01 0.00 0.00 42.92 42.66 2dj1 s ASP 107 CO 0.08 -0.30 0.00 0.61 0.21 0.00 0.00 175.17 175.77 2dj1 n GLY 108 N 4.68 -1.68 3.68 0.21 0.00 -1.26 -5.11 105.19 105.72 2dj1 n GLY 108 Ca -0.07 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 2dj1 n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj1 s SER 109 N -3.25 7.17 -1.08 1.61 0.01 -1.26 -4.94 113.70 111.96 2dj1 s SER 109 Ca 0.00 1.45 -0.24 0.00 1.31 0.00 0.00 55.95 58.47 2dj1 s SER 109 Cb 0.00 -2.54 -0.11 0.00 0.21 0.00 0.00 66.02 63.58 2dj1 s SER 109 CO 0.00 -0.48 2.00 0.00 0.41 0.00 0.00 173.24 175.17 2dj1 s ARG 110 N 2.24 2.20 0.07 12.44 1.70 -1.26 -4.35 118.95 131.99 2dj1 s ARG 110 Ca 0.46 -0.75 0.06 0.00 -0.47 0.00 0.00 55.73 55.03 2dj1 s ARG 110 Cb -0.17 -5.13 -0.03 0.00 -0.57 0.00 0.00 34.95 29.05 2dj1 s ARG 110 CO 0.15 -4.18 -0.16 0.95 -1.08 0.00 0.00 175.30 170.98 2dj1 s THR 111 N 12.21 1.27 0.22 4.99 -4.23 -1.26 -4.94 115.64 123.91 2dj1 s THR 111 Ca 0.73 -1.29 -0.15 0.00 -1.18 0.00 0.00 61.69 59.80 2dj1 s THR 111 Cb -0.04 -1.19 0.25 0.00 1.34 0.00 0.00 72.50 72.87 2dj1 s THR 111 CO 0.11 -0.12 1.60 1.56 -0.54 0.00 0.00 174.62 177.23 2dj1 h GLN 112 N 4.40 -0.04 0.63 3.99 4.20 -1.90 1.06 115.11 127.45 2dj1 h GLN 112 Ca -0.42 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.27 2dj1 h GLN 112 Cb 1.18 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2dj1 h GLN 112 CO 0.41 -0.03 -0.33 1.05 -0.67 0.00 0.00 178.83 179.26 2dj1 h GLU 113 N -0.05 -0.85 0.13 1.46 4.11 -1.96 -0.79 114.58 116.64 2dj1 h GLU 113 Ca 0.32 0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.80 2dj1 h GLU 113 Cb 0.55 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2dj1 h GLU 113 CO -0.75 -0.57 -0.06 0.93 0.07 0.00 0.00 179.01 178.63 2dj1 h GLU 114 N -0.88 -0.17 -0.94 1.06 5.08 -1.56 0.64 114.58 117.81 2dj1 h GLU 114 Ca -0.08 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.44 2dj1 h GLU 114 Cb 0.69 0.04 -0.16 0.00 0.50 0.00 0.00 28.75 29.82 2dj1 h GLU 114 CO 0.12 -0.11 -0.34 -0.89 -1.00 0.00 0.00 179.01 176.80 2dj1 n ILE 115 N -2.49 -0.47 -0.19 3.13 5.41 0.36 0.78 119.36 125.88 2dj1 n ILE 115 Ca -0.02 2.19 -0.10 0.00 1.00 0.00 0.00 62.75 65.82 2dj1 n ILE 115 Cb 0.07 -2.92 0.03 0.00 -0.71 0.00 0.00 39.64 36.10 2dj1 n ILE 115 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2dj1 h VAL 116 N 0.00 1.27 -0.75 1.39 2.07 -1.14 -1.83 116.25 117.26 2dj1 h VAL 116 Ca 0.36 -1.24 0.09 0.00 0.82 0.00 0.00 66.70 66.72 2dj1 h VAL 116 Cb 0.59 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 2dj1 h VAL 116 CO -0.94 0.44 0.40 0.00 0.02 0.00 0.00 177.57 177.49 2dj1 h ALA 117 N 0.97 1.04 -0.08 1.67 0.00 0.64 0.17 119.26 123.67 2dj1 h ALA 117 Ca 0.15 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2dj1 h ALA 117 Cb 0.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2dj1 h ALA 117 CO 0.04 0.02 -0.24 -0.22 0.00 0.00 0.00 179.25 178.86 2dj1 h LYS 118 N 0.69 0.30 0.62 0.00 1.63 -0.76 -2.83 116.57 116.22 2dj1 h LYS 118 Ca 0.36 -0.22 -0.03 0.00 -0.85 0.00 0.00 60.65 59.92 2dj1 h LYS 118 Cb 0.34 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.00 2dj1 h LYS 118 CO -0.25 0.84 -0.40 0.28 -3.45 0.00 0.00 179.45 176.47 2dj1 h VAL 119 N -0.17 0.00 -0.97 2.00 2.07 -0.91 0.12 116.25 118.39 2dj1 h VAL 119 Ca -0.01 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.79 2dj1 h VAL 119 Cb 0.86 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 2dj1 h VAL 119 CO 0.05 0.00 0.69 0.08 0.02 0.00 0.00 177.57 178.41 2dj1 h ARG 120 N -0.96 0.06 0.22 1.57 0.11 -0.80 0.15 114.38 114.73 2dj1 h ARG 120 Ca -0.08 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.98 2dj1 h ARG 120 Cb 0.78 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.85 2dj1 h ARG 120 CO 0.07 0.04 -0.11 1.49 0.10 0.00 0.00 179.97 181.57 2dj1 h GLU 121 N 0.07 -0.29 0.00 0.08 4.57 -1.14 -3.29 114.58 114.58 2dj1 h GLU 121 Ca 0.47 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.69 2dj1 h GLU 121 Cb 1.77 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 30.40 2dj1 h GLU 121 CO -0.04 0.04 -0.10 0.28 -1.18 0.00 0.00 179.01 178.01 2dj1 h VAL 122 N -0.96 0.74 -1.15 0.32 2.07 0.23 -2.19 116.25 115.31 2dj1 h VAL 122 Ca -0.03 0.00 0.44 0.00 0.82 0.00 0.00 66.70 67.93 2dj1 h VAL 122 Cb 0.46 0.74 -0.16 0.00 -1.52 0.00 0.00 31.29 30.81 2dj1 h VAL 122 CO 0.05 0.00 0.69 -1.54 0.02 0.00 0.00 177.57 176.79 2dj1 n SER 123 N -5.23 0.28 -4.58 0.57 3.41 0.44 -4.50 113.62 104.02 2dj1 n SER 123 Ca -0.06 1.51 -0.43 0.00 -0.26 0.00 0.00 58.87 59.63 2dj1 n SER 123 Cb 0.15 -0.74 -0.00 0.00 -0.26 0.00 0.00 64.21 63.36 2dj1 n SER 123 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dj1 n GLN 124 N -4.97 1.23 0.22 4.33 1.13 -0.82 -4.87 117.38 113.62 2dj1 n GLN 124 Ca 0.38 0.44 0.09 0.00 -1.94 0.00 0.00 57.00 55.97 2dj1 n GLN 124 Cb 1.39 -1.85 0.48 0.00 0.11 0.00 0.00 30.24 30.37 2dj1 n GLN 124 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2dj1 h PRO 125 N 1.68 0.00 0.01 -1.09 0.13 -1.88 -3.10 132.00 127.75 2dj1 h PRO 125 Ca -0.41 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.49 2dj1 h PRO 125 Cb 1.35 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.50 2dj1 h PRO 125 CO 0.58 0.26 -0.89 -0.44 -0.23 0.00 0.00 178.00 177.28 2dj1 h ASP 126 N 0.00 0.76 -2.91 1.44 3.32 -1.89 -3.45 116.42 113.68 2dj1 h ASP 126 Ca -0.00 -0.76 -0.59 0.00 0.02 0.00 0.00 57.03 55.70 2dj1 h ASP 126 Cb 0.69 -0.23 0.13 0.00 0.22 0.00 0.00 39.33 40.13 2dj1 h ASP 126 CO 0.03 1.42 0.13 1.87 -1.72 0.00 0.00 179.24 180.98 2dj1 n TRP 127 N -3.99 1.13 -4.18 4.55 -0.00 -1.17 -5.01 117.44 108.76 2dj1 n TRP 127 Ca -0.11 0.59 -0.17 0.00 -0.00 0.00 0.00 57.50 57.80 2dj1 n TRP 127 Cb 0.81 -2.22 -0.12 0.00 -0.00 0.00 0.00 31.31 29.77 2dj1 n TRP 127 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2dj1 s THR 128 N -1.24 0.96 -0.18 5.87 -4.23 -1.26 -4.95 115.64 110.60 2dj1 s THR 128 Ca 0.62 -1.16 -0.29 0.00 -1.18 0.00 0.00 61.69 59.68 2dj1 s THR 128 Cb -0.59 -0.93 -0.03 0.00 1.34 0.00 0.00 72.50 72.29 2dj1 s THR 128 CO 0.58 -0.20 1.58 -2.16 -0.54 0.00 0.00 174.62 173.88 2dj1 s PRO 129 N -1.53 3.91 0.78 3.99 0.04 -1.26 -5.00 135.00 135.93 2dj1 s PRO 129 Ca -0.03 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 2dj1 s PRO 129 Cb -0.09 -4.00 0.06 0.00 0.04 0.00 0.00 34.50 30.51 2dj1 s PRO 129 CO 0.02 -1.15 1.09 -1.25 0.04 0.00 0.00 177.00 175.75 2dj1 s PRO 130 N 4.43 2.22 -0.75 0.56 0.04 -1.26 -4.92 135.00 135.33 2dj1 s PRO 130 Ca 0.70 1.16 -0.26 0.00 0.04 0.00 0.00 61.00 62.64 2dj1 s PRO 130 Cb -0.26 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2dj1 s PRO 130 CO 0.28 -1.67 1.90 -1.25 0.04 0.00 0.00 177.00 176.30 2dj1 s PRO 131 N -4.90 2.59 -0.48 0.56 0.04 -1.26 -4.88 135.00 126.67 2dj1 s PRO 131 Ca 0.61 0.19 0.03 0.00 0.04 0.00 0.00 61.00 61.88 2dj1 s PRO 131 Cb -0.17 -4.70 0.15 0.00 0.04 0.00 0.00 34.50 29.82 2dj1 s PRO 131 CO 0.56 -3.03 0.32 -2.00 0.04 0.00 0.00 177.00 172.89 2dj1 s GLU 132 N 7.03 1.32 -0.04 4.56 2.56 -1.26 -5.08 118.70 127.79 2dj1 s GLU 132 Ca 0.69 -2.24 -0.01 0.00 0.00 0.00 0.00 54.97 53.40 2dj1 s GLU 132 Cb -0.10 -2.14 0.03 0.00 2.00 0.00 0.00 34.13 33.92 2dj1 s GLU 132 CO 0.11 -1.27 0.02 0.54 -0.56 0.00 0.00 175.26 174.10 2dj1 s VAL 133 N -0.04 0.14 -0.22 3.70 0.11 -1.26 -5.01 120.40 117.82 2dj1 s VAL 133 Ca 0.24 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.49 2dj1 s VAL 133 Cb -0.11 -0.30 0.06 0.00 -1.53 0.00 0.00 36.38 34.50 2dj1 s VAL 133 CO -0.10 0.19 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.92 2dj1 s THR 134 N 1.62 1.35 0.67 5.04 2.01 -1.26 -5.13 115.64 119.94 2dj1 s THR 134 Ca -0.01 -1.07 -0.14 0.00 0.31 0.00 0.00 61.69 60.78 2dj1 s THR 134 Cb -0.13 -1.64 0.00 0.00 0.01 0.00 0.00 72.50 70.75 2dj1 s THR 134 CO -0.03 -0.09 1.09 -0.55 -0.69 0.00 0.00 174.62 174.35 2dj1 s SER 135 N 1.48 5.20 0.00 3.53 0.15 -1.26 -4.47 113.70 118.34 2dj1 s SER 135 Ca -0.04 1.89 0.00 0.00 0.70 0.00 0.00 55.95 58.49 2dj1 s SER 135 Cb -0.18 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2dj1 s SER 135 CO -0.07 -1.57 0.00 0.61 1.20 0.00 0.00 173.24 173.42 2dj1 n GLY 136 N -0.89 2.28 3.72 9.45 0.00 -1.26 -5.04 105.19 113.45 2dj1 n GLY 136 Ca 0.09 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2dj1 n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dj1 s PRO 137 N 0.00 4.35 -1.27 1.61 0.04 -1.26 -3.05 135.00 135.41 2dj1 s PRO 137 Ca 0.00 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 2dj1 s PRO 137 Cb 0.00 -3.25 0.09 0.00 0.04 0.00 0.00 34.50 31.38 2dj1 s PRO 137 CO 0.00 -0.38 0.48 0.43 0.04 0.00 0.00 177.00 177.57 2dj1 n SER 138 N 3.70 -3.22 -4.71 6.66 7.64 -1.26 -4.92 113.62 117.51 2dj1 n SER 138 Ca 0.10 -0.46 -0.29 0.00 1.01 0.00 0.00 58.87 59.23 2dj1 n SER 138 Cb 0.43 -2.69 0.11 0.00 -1.01 0.00 0.00 64.21 61.05 2dj1 n SER 138 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dj1 s SER 139 N -2.76 4.17 0.00 6.43 1.04 -1.17 -5.07 113.70 116.34 2dj1 s SER 139 Ca 0.44 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.51 2dj1 s SER 139 Cb -0.24 -1.02 0.00 0.00 0.10 0.00 0.00 66.02 64.86 2dj1 s SER 139 CO 0.55 -2.10 0.00 0.61 0.98 0.00 0.00 173.24 173.27