#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj1 n SER 2 N 0.00 1.78 0.00 1.61 3.41 -1.26 -4.12 113.62 115.04 2dj1 n SER 2 Ca 0.00 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 2dj1 n SER 2 Cb 0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 2dj1 n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dj1 n SER 3 N 0.19 0.04 0.00 4.04 2.88 -1.26 -5.15 113.62 114.36 2dj1 n SER 3 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 2dj1 n SER 3 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 2dj1 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj1 n GLY 4 N 1.95 1.08 3.56 0.46 0.00 -1.26 -4.91 105.19 106.08 2dj1 n GLY 4 Ca 0.00 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.68 2dj1 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dj1 s SER 5 N 0.00 4.94 -0.18 1.61 0.15 -1.26 -4.83 113.70 114.13 2dj1 s SER 5 Ca 0.00 -0.83 -0.29 0.00 0.70 0.00 0.00 55.95 55.53 2dj1 s SER 5 Cb 0.00 -2.57 0.12 0.00 -1.71 0.00 0.00 66.02 61.87 2dj1 s SER 5 CO 0.00 -3.00 0.99 -0.55 1.20 0.00 0.00 173.24 171.89 2dj1 s SER 6 N 7.99 -0.40 -0.25 5.45 0.15 -1.26 -5.07 113.70 120.31 2dj1 s SER 6 Ca 0.72 0.51 0.18 0.00 0.70 0.00 0.00 55.95 58.06 2dj1 s SER 6 Cb -0.06 0.43 0.42 0.00 -1.71 0.00 0.00 66.02 65.10 2dj1 s SER 6 CO 0.04 -0.31 1.28 0.61 1.20 0.00 0.00 173.24 176.05 2dj1 n GLY 7 N 1.04 1.72 3.64 9.45 0.00 -1.26 -5.10 105.19 114.68 2dj1 n GLY 7 Ca -0.11 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 2dj1 n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dj1 s ASP 8 N -2.38 -0.40 0.23 1.61 -4.77 -1.26 -5.19 116.67 104.51 2dj1 s ASP 8 Ca 0.18 0.68 -0.22 0.00 -3.30 0.00 0.00 52.55 49.90 2dj1 s ASP 8 Cb 0.35 0.99 0.06 0.00 -1.09 0.00 0.00 42.92 43.23 2dj1 s ASP 8 CO -0.08 -0.11 0.91 -1.81 0.70 0.00 0.00 175.17 174.77 2dj1 s ASP 9 N 0.88 -0.11 0.29 2.11 1.01 -1.26 -5.03 116.67 114.57 2dj1 s ASP 9 Ca -0.04 -0.66 0.03 0.00 0.71 0.00 0.00 52.55 52.59 2dj1 s ASP 9 Cb -0.04 0.60 0.75 0.00 1.01 0.00 0.00 42.92 45.24 2dj1 s ASP 9 CO -0.12 -1.16 1.45 -0.67 0.21 0.00 0.00 175.17 174.88 2dj1 n ASP 10 N -0.85 -0.07 -4.57 0.27 -0.08 -1.26 -3.66 116.55 106.32 2dj1 n ASP 10 Ca -0.05 1.57 -0.15 0.00 -1.51 0.00 0.00 54.79 54.65 2dj1 n ASP 10 Cb 0.60 -0.59 -0.08 0.00 2.34 0.00 0.00 41.12 43.39 2dj1 n ASP 10 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2dj1 s LEU 11 N -10.69 2.72 0.54 -2.67 1.43 -1.26 -4.90 118.68 103.85 2dj1 s LEU 11 Ca -0.12 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 2dj1 s LEU 11 Cb 0.28 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.96 2dj1 s LEU 11 CO 0.72 -4.09 0.76 -0.70 0.23 0.00 0.00 176.35 173.27 2dj1 s GLU 12 N 8.59 2.56 -0.00 1.70 -6.30 -1.24 -4.98 118.70 119.04 2dj1 s GLU 12 Ca 0.87 -0.83 0.01 0.00 -2.50 0.00 0.00 54.97 52.51 2dj1 s GLU 12 Cb -0.10 -2.51 -0.00 0.00 0.00 0.00 0.00 34.13 31.52 2dj1 s GLU 12 CO 0.11 -0.68 -0.02 0.08 0.02 0.00 0.00 175.26 174.77 2dj1 s VAL 13 N -2.72 0.19 0.78 3.70 1.01 -1.26 -4.78 120.40 117.31 2dj1 s VAL 13 Ca 0.57 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.41 2dj1 s VAL 13 Cb -0.10 -0.16 0.15 0.00 0.00 0.00 0.00 36.38 36.26 2dj1 s VAL 13 CO 0.38 0.05 1.07 -0.54 0.00 0.00 0.00 175.10 176.06 2dj1 s LYS 14 N -0.07 1.41 -0.21 2.72 3.01 -1.26 -4.90 119.74 120.45 2dj1 s LYS 14 Ca 0.01 -1.03 -0.17 0.00 -1.01 0.00 0.00 55.97 53.77 2dj1 s LYS 14 Cb -0.01 -2.24 0.06 0.00 -1.01 0.00 0.00 37.83 34.63 2dj1 s LYS 14 CO -0.00 -1.68 0.55 -1.83 0.51 0.00 0.00 175.35 172.89 2dj1 s GLU 15 N -5.30 0.61 -0.05 1.68 1.03 -1.26 -1.52 118.70 113.89 2dj1 s GLU 15 Ca 0.68 0.84 0.04 0.00 0.03 0.00 0.00 54.97 56.56 2dj1 s GLU 15 Cb -0.04 0.22 0.00 0.00 -0.80 0.00 0.00 34.13 33.51 2dj1 s GLU 15 CO 0.46 -0.10 -0.17 -1.83 -1.33 0.00 0.00 175.26 172.29 2dj1 s GLU 16 N 0.70 1.89 -0.20 -4.83 1.03 0.13 -4.76 118.70 112.67 2dj1 s GLU 16 Ca -0.03 -0.59 -0.03 0.00 0.03 0.00 0.00 54.97 54.36 2dj1 s GLU 16 Cb -0.05 -1.59 0.03 0.00 -0.80 0.00 0.00 34.13 31.72 2dj1 s GLU 16 CO -0.05 0.18 0.06 0.27 -1.33 0.00 0.00 175.26 174.39 2dj1 n ASN 17 N 3.36 -0.82 -0.22 0.83 0.23 -1.26 0.23 115.26 117.61 2dj1 n ASN 17 Ca -0.19 0.19 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 2dj1 n ASN 17 Cb 0.53 -0.80 0.00 0.00 -2.08 0.00 0.00 39.78 37.43 2dj1 n ASN 17 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2dj1 n GLY 18 N -0.45 1.00 2.67 4.83 0.00 -1.26 -4.73 105.19 107.26 2dj1 n GLY 18 Ca 0.01 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.44 -0.17 0.73 1.61 1.01 0.64 -4.61 120.40 117.16 2dj1 s VAL 19 Ca 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 2dj1 s VAL 19 Cb 0.00 -0.56 0.04 0.00 0.00 0.00 0.00 36.38 35.86 2dj1 s VAL 19 CO 0.00 -0.20 1.17 0.26 0.00 0.00 0.00 175.10 176.34 2dj1 s TRP 20 N 2.21 2.18 -0.42 5.22 0.52 -0.59 0.21 118.94 128.27 2dj1 s TRP 20 Ca 0.04 1.60 0.02 0.00 0.02 0.00 0.00 56.10 57.78 2dj1 s TRP 20 Cb -0.15 -3.37 0.11 0.00 -1.15 0.00 0.00 33.47 28.91 2dj1 s TRP 20 CO -0.09 -2.36 0.16 0.08 0.02 0.00 0.00 176.95 174.75 2dj1 s VAL 21 N -2.17 2.64 0.54 4.03 1.01 -0.57 -2.00 120.40 123.88 2dj1 s VAL 21 Ca 0.71 -2.58 -0.05 0.00 0.00 0.00 0.00 61.98 60.06 2dj1 s VAL 21 Cb -0.26 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 2dj1 s VAL 21 CO 0.46 -0.68 0.84 -0.76 0.00 0.00 0.00 175.10 174.95 2dj1 s LEU 22 N 0.59 3.42 -0.13 3.92 1.43 -0.71 -4.21 118.68 122.98 2dj1 s LEU 22 Ca 0.12 0.77 -0.34 0.00 -1.03 0.00 0.00 54.13 53.66 2dj1 s LEU 22 Cb -0.21 -3.65 0.13 0.00 0.03 0.00 0.00 46.19 42.48 2dj1 s LEU 22 CO -0.05 -0.84 1.21 0.54 0.23 0.00 0.00 176.35 177.44 2dj1 s ASN 23 N -4.22 -0.12 0.63 2.29 4.22 -1.26 -4.27 114.94 112.21 2dj1 s ASN 23 Ca 0.51 -0.04 0.19 0.00 -2.14 0.00 0.00 52.86 51.38 2dj1 s ASN 23 Cb -0.10 0.16 0.79 0.00 1.28 0.00 0.00 41.25 43.38 2dj1 s ASN 23 CO 0.45 -0.28 1.36 -0.78 -2.04 0.00 0.00 177.10 175.80 2dj1 h ASP 24 N 2.00 0.00 0.00 3.54 3.58 -1.97 1.15 116.42 124.73 2dj1 h ASP 24 Ca -0.15 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.08 2dj1 h ASP 24 Cb 1.18 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.25 2dj1 h ASP 24 CO 0.25 0.00 -0.83 1.23 -2.88 0.00 0.00 179.24 177.00 2dj1 h GLY 25 N 0.00 0.63 -4.97 -0.78 0.00 -1.99 -3.38 103.07 92.57 2dj1 h GLY 25 Ca 0.26 -1.10 -0.34 0.00 0.00 0.00 0.00 47.33 46.14 2dj1 h GLY 25 CO -0.00 0.98 -1.05 1.16 0.00 0.00 0.00 176.54 177.62 2dj1 n ASN 26 N -4.03 2.39 -0.02 0.19 6.94 0.28 -4.89 115.26 116.12 2dj1 n ASN 26 Ca -0.11 -2.58 -0.01 0.00 -0.02 0.00 0.00 54.58 51.86 2dj1 n ASN 26 Cb 0.78 -0.46 -0.00 0.00 -2.36 0.00 0.00 39.78 37.74 2dj1 n ASN 26 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 2dj1 h PHE 27 N 2.60 0.00 -0.24 -2.53 3.04 0.73 -3.28 116.94 117.26 2dj1 h PHE 27 Ca -0.01 0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.96 2dj1 h PHE 27 Cb 1.28 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.78 2dj1 h PHE 27 CO 0.59 0.00 0.13 0.22 -2.02 0.00 0.00 178.31 177.22 2dj1 h ASP 28 N -0.34 0.19 -1.00 0.41 3.58 -1.87 -1.55 116.42 115.85 2dj1 h ASP 28 Ca 0.00 0.01 0.17 0.00 0.42 0.00 0.00 57.03 57.63 2dj1 h ASP 28 Cb 0.13 -0.03 -0.10 0.00 1.72 0.00 0.00 39.33 41.05 2dj1 h ASP 28 CO 0.00 0.15 0.62 -1.13 -2.88 0.00 0.00 179.24 175.99 2dj1 h ASN 29 N 0.26 0.80 0.50 2.28 -0.73 -1.90 0.60 115.58 117.39 2dj1 h ASN 29 Ca 0.10 0.08 -0.02 0.00 1.87 0.00 0.00 56.30 58.32 2dj1 h ASN 29 Cb 0.01 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.54 2dj1 h ASN 29 CO -0.06 0.33 -0.24 0.15 -0.37 0.00 0.00 177.43 177.24 2dj1 h PHE 30 N 0.80 -0.62 0.00 0.67 3.57 -1.47 -3.06 116.94 116.82 2dj1 h PHE 30 Ca 0.55 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.03 2dj1 h PHE 30 Cb 0.81 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.75 2dj1 h PHE 30 CO -0.00 -0.39 0.00 1.33 -2.23 0.00 0.00 178.31 177.02 2dj1 n VAL 31 N -4.90 1.54 -0.22 1.41 0.24 -0.64 -2.63 118.33 113.14 2dj1 n VAL 31 Ca -0.08 0.38 -0.02 0.00 -2.04 0.00 0.00 64.34 62.58 2dj1 n VAL 31 Cb 0.26 -1.30 0.09 0.00 -1.47 0.00 0.00 33.84 31.42 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 2.18 0.86 -0.98 2.33 0.00 0.31 -2.48 119.26 121.48 2dj1 h ALA 32 Ca 0.00 0.02 -0.64 0.00 0.00 0.00 0.00 54.91 54.29 2dj1 h ALA 32 Cb 0.08 -0.11 -0.35 0.00 0.00 0.00 0.00 17.79 17.41 2dj1 h ALA 32 CO 0.00 0.02 0.18 -0.25 0.00 0.00 0.00 179.25 179.20 2dj1 n ASP 33 N -4.81 6.46 -3.69 0.00 8.00 -1.08 -4.94 116.55 116.49 2dj1 n ASP 33 Ca 0.08 -3.78 -0.10 0.00 0.71 0.00 0.00 54.79 51.70 2dj1 n ASP 33 Cb 0.18 -0.73 -0.10 0.00 -0.02 0.00 0.00 41.12 40.45 2dj1 n ASP 33 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2dj1 s LYS 34 N -3.76 0.47 -0.11 -1.24 1.02 -0.94 -5.07 119.74 110.11 2dj1 s LYS 34 Ca 0.57 0.84 -0.14 0.00 0.02 0.00 0.00 55.97 57.25 2dj1 s LYS 34 Cb 0.46 0.05 -0.13 0.00 -0.52 0.00 0.00 37.83 37.69 2dj1 s LYS 34 CO -0.07 -0.14 0.40 0.38 -0.92 0.00 0.00 175.35 174.99 2dj1 h ASP 35 N 6.79 -0.01 -3.38 2.83 2.03 -1.92 -3.44 116.42 119.32 2dj1 h ASP 35 Ca -0.34 -0.46 -0.66 0.00 -0.73 0.00 0.00 57.03 54.84 2dj1 h ASP 35 Cb 1.19 0.00 -0.27 0.00 -0.83 0.00 0.00 39.33 39.42 2dj1 h ASP 35 CO 0.26 0.71 -0.73 -0.89 -1.03 0.00 0.00 179.24 177.57 2dj1 s THR 36 N -1.96 3.36 -0.05 1.15 2.01 -1.26 -0.76 115.64 118.12 2dj1 s THR 36 Ca -0.09 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 2dj1 s THR 36 Cb -0.01 -2.51 0.03 0.00 0.01 0.00 0.00 72.50 70.02 2dj1 s THR 36 CO 0.34 0.44 0.03 -0.69 -0.69 0.00 0.00 174.62 174.05 2dj1 s VAL 37 N 1.27 0.10 0.04 3.82 1.01 -0.99 -4.47 120.40 121.18 2dj1 s VAL 37 Ca 0.03 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 2dj1 s VAL 37 Cb -0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 2dj1 s VAL 37 CO -0.02 0.21 1.04 -0.22 0.00 0.00 0.00 175.10 176.11 2dj1 s LEU 38 N 2.07 4.39 -0.05 3.92 2.96 -0.97 -2.27 118.68 128.73 2dj1 s LEU 38 Ca 0.05 1.79 0.04 0.00 -0.22 0.00 0.00 54.13 55.78 2dj1 s LEU 38 Cb -0.12 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.99 2dj1 s LEU 38 CO -0.04 -0.29 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.77 2dj1 s LEU 39 N 0.84 1.89 -0.10 -0.68 1.43 -0.93 -2.33 118.68 118.81 2dj1 s LEU 39 Ca 0.53 -0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2dj1 s LEU 39 Cb -0.24 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.02 2dj1 s LEU 39 CO 0.29 0.13 -0.07 -0.70 0.23 0.00 0.00 176.35 176.23 2dj1 s GLU 40 N 0.16 1.41 0.16 1.70 2.12 -0.34 -0.26 118.70 123.65 2dj1 s GLU 40 Ca -0.07 -0.23 -0.14 0.00 0.36 0.00 0.00 54.97 54.89 2dj1 s GLU 40 Cb -0.13 -1.45 -0.07 0.00 0.26 0.00 0.00 34.13 32.75 2dj1 s GLU 40 CO 0.03 -0.21 0.57 -0.06 -0.54 0.00 0.00 175.26 175.04 2dj1 s PHE 41 N 1.53 3.59 0.29 5.30 0.40 0.14 -0.06 117.98 129.17 2dj1 s PHE 41 Ca 0.01 1.08 -0.11 0.00 -0.60 0.00 0.00 56.93 57.31 2dj1 s PHE 41 Cb -0.13 -2.39 0.01 0.00 0.51 0.00 0.00 43.02 41.02 2dj1 s PHE 41 CO -0.06 0.40 0.54 1.52 0.70 0.00 0.00 175.22 178.33 2dj1 s TYR 42 N -1.50 0.45 -0.02 0.36 -0.85 -0.88 -2.41 117.35 112.50 2dj1 s TYR 42 Ca 0.39 -0.83 0.04 0.00 -0.52 0.00 0.00 57.07 56.15 2dj1 s TYR 42 Cb -0.15 0.25 -0.01 0.00 0.38 0.00 0.00 41.96 42.44 2dj1 s TYR 42 CO 0.19 -1.13 -0.13 0.00 -1.52 0.00 0.00 175.55 172.97 2dj1 s ALA 43 N -3.55 1.15 0.31 9.51 0.00 -1.26 -3.64 121.76 124.28 2dj1 s ALA 43 Ca 0.23 -0.55 0.13 0.00 0.00 0.00 0.00 51.96 51.76 2dj1 s ALA 43 Cb -0.02 -0.34 0.61 0.00 0.00 0.00 0.00 23.12 23.37 2dj1 s ALA 43 CO 0.12 0.25 1.74 -1.00 0.00 0.00 0.00 175.76 176.87 2dj1 h PRO 44 N 6.01 0.00 -0.01 0.00 0.13 -2.00 -2.60 132.00 133.53 2dj1 h PRO 44 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2dj1 h PRO 44 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2dj1 h PRO 44 CO 0.49 0.46 -0.12 -2.67 -0.23 0.00 0.00 178.00 175.92 2dj1 n TRP 45 N -3.90 0.00 -3.27 1.56 4.27 -1.26 -4.66 117.44 110.18 2dj1 n TRP 45 Ca -0.01 0.00 -0.46 0.00 -3.89 0.00 0.00 57.50 53.14 2dj1 n TRP 45 Cb 0.49 -0.13 -0.04 0.00 -1.36 0.00 0.00 31.31 30.27 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 8.87 0.00 -0.41 0.00 0.00 -1.83 -2.81 103.07 106.88 2dj1 h GLY 47 Ca -0.19 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.38 2dj1 h GLY 47 CO 0.99 0.00 0.30 0.45 0.00 0.00 0.00 176.54 178.28 2dj1 h HIS 48 N 0.00 0.47 -0.01 5.60 3.86 -1.94 0.96 115.15 124.10 2dj1 h HIS 48 Ca -0.00 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2dj1 h HIS 48 Cb 0.18 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 2dj1 h HIS 48 CO 0.00 -0.18 -0.06 0.00 0.86 0.00 0.00 177.93 178.56 2dj1 h LYS 50 N 0.01 0.02 0.00 0.00 1.79 0.82 1.77 116.57 120.99 2dj1 h LYS 50 Ca 0.00 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2dj1 h LYS 50 Cb 0.11 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2dj1 h LYS 50 CO 0.01 0.02 -0.13 1.96 -1.08 0.00 0.00 179.45 180.22 2dj1 h GLN 51 N 0.03 0.00 0.00 3.15 1.08 -1.57 -2.21 115.11 115.58 2dj1 h GLN 51 Ca 0.35 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 2dj1 h GLN 51 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2dj1 h GLN 51 CO -0.70 0.13 -1.06 0.34 -0.95 0.00 0.00 178.83 176.59 2dj1 n PHE 52 N -3.48 0.41 0.06 2.96 7.35 0.29 -4.20 117.46 120.85 2dj1 n PHE 52 Ca -0.01 0.12 -0.15 0.00 -0.76 0.00 0.00 57.45 56.65 2dj1 n PHE 52 Cb 0.29 -0.57 -0.09 0.00 0.35 0.00 0.00 39.48 39.46 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 2.38 -0.93 0.00 3.13 0.00 0.29 0.25 119.26 124.39 2dj1 h ALA 53 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2dj1 h ALA 53 Cb 0.81 0.92 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2dj1 h ALA 53 CO 0.00 -1.07 0.00 -1.00 0.00 0.00 0.00 179.25 177.18 2dj1 h PRO 54 N -0.63 0.00 0.16 0.00 0.13 -1.77 -2.89 132.00 127.00 2dj1 h PRO 54 Ca 0.01 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.84 2dj1 h PRO 54 Cb 0.67 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.82 2dj1 h PRO 54 CO -0.33 0.00 -1.40 1.49 -0.23 0.00 0.00 178.00 177.53 2dj1 h GLU 55 N 0.00 0.35 0.02 0.86 4.81 -1.34 -3.32 114.58 115.95 2dj1 h GLU 55 Ca 0.00 -0.59 -0.00 0.00 -0.13 0.00 0.00 59.36 58.64 2dj1 h GLU 55 Cb 0.38 0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2dj1 h GLU 55 CO 0.00 1.26 -0.01 -0.92 -0.73 0.00 0.00 179.01 178.61 2dj1 h TYR 56 N 0.09 -0.02 -1.00 0.92 3.20 -0.36 -3.14 116.97 116.66 2dj1 h TYR 56 Ca -0.20 -0.00 0.32 0.00 3.14 0.00 0.00 58.73 61.99 2dj1 h TYR 56 Cb 2.04 0.01 -0.15 0.00 1.54 0.00 0.00 36.73 40.17 2dj1 h TYR 56 CO 0.08 0.44 0.56 1.05 -1.64 0.00 0.00 178.16 178.65 2dj1 h GLU 57 N -0.49 0.30 0.08 1.82 4.11 -1.67 0.13 114.58 118.85 2dj1 h GLU 57 Ca -0.00 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.43 2dj1 h GLU 57 Cb 0.47 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2dj1 h GLU 57 CO 0.00 0.20 -0.19 0.87 0.07 0.00 0.00 179.01 179.96 2dj1 h LYS 58 N 0.31 -0.34 -0.75 1.06 1.57 -1.64 -1.55 116.57 115.22 2dj1 h LYS 58 Ca 0.73 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 59.72 2dj1 h LYS 58 Cb 1.68 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 34.02 2dj1 h LYS 58 CO -0.62 -0.23 0.51 0.82 -0.57 0.00 0.00 179.45 179.37 2dj1 h ILE 59 N -0.36 0.72 0.24 1.86 2.04 -0.80 -2.33 117.51 118.88 2dj1 h ILE 59 Ca 0.03 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2dj1 h ILE 59 Cb 0.39 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2dj1 h ILE 59 CO -0.13 0.04 -0.49 0.00 0.00 0.00 0.00 178.15 177.57 2dj1 h ALA 60 N 1.65 -1.03 -0.29 1.87 0.00 -0.93 -0.56 119.26 119.97 2dj1 h ALA 60 Ca 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2dj1 h ALA 60 Cb 1.09 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 2dj1 h ALA 60 CO -0.08 -1.12 0.13 0.77 0.00 0.00 0.00 179.25 178.94 2dj1 h SER 61 N -0.80 0.36 0.52 0.00 0.02 -1.42 0.41 113.55 112.65 2dj1 h SER 61 Ca -0.02 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2dj1 h SER 61 Cb 0.76 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2dj1 h SER 61 CO -0.20 0.32 -0.29 0.74 -1.14 0.00 0.00 176.83 176.26 2dj1 h THR 62 N 0.40 0.00 0.00 -2.27 2.02 -0.89 -3.05 112.91 109.13 2dj1 h THR 62 Ca 0.10 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.20 2dj1 h THR 62 Cb 0.07 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 2dj1 h THR 62 CO -0.01 0.00 -0.39 -0.07 0.37 0.00 0.00 175.52 175.41 2dj1 h LEU 63 N -0.75 0.00 -1.78 2.58 3.38 -1.07 -3.03 115.31 114.63 2dj1 h LEU 63 Ca -0.07 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.18 2dj1 h LEU 63 Cb 0.59 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 2dj1 h LEU 63 CO 0.09 0.39 0.71 0.50 0.09 0.00 0.00 178.44 180.22 2dj1 h LYS 64 N 0.00 0.14 0.06 1.13 3.64 -0.07 0.14 116.57 121.61 2dj1 h LYS 64 Ca -0.00 -0.01 -0.31 0.00 -1.27 0.00 0.00 60.65 59.06 2dj1 h LYS 64 Cb 0.86 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 2dj1 h LYS 64 CO 0.05 0.09 -1.72 0.22 -2.27 0.00 0.00 179.45 175.83 2dj1 h ASP 65 N 0.15 0.19 -1.82 4.20 3.58 -1.44 -3.38 116.42 117.89 2dj1 h ASP 65 Ca 0.51 -0.37 -0.54 0.00 0.42 0.00 0.00 57.03 57.06 2dj1 h ASP 65 Cb 1.76 -0.06 0.18 0.00 1.72 0.00 0.00 39.33 42.92 2dj1 h ASP 65 CO -0.10 1.32 -1.18 -3.20 -2.88 0.00 0.00 179.24 173.20 2dj1 n ASN 66 N -3.26 -3.77 -4.23 2.28 5.15 0.47 -4.66 115.26 107.25 2dj1 n ASN 66 Ca -0.20 0.51 -0.34 0.00 -0.60 0.00 0.00 54.58 53.96 2dj1 n ASN 66 Cb 1.04 -0.76 -0.15 0.00 -0.53 0.00 0.00 39.78 39.38 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 -0.91 3.67 1.01 1.20 1.11 -1.26 -1.53 116.67 119.95 2dj1 s ASP 67 Ca 0.49 -0.50 -0.12 0.00 0.18 0.00 0.00 52.55 52.59 2dj1 s ASP 67 Cb -0.40 -1.58 0.19 0.00 1.07 0.00 0.00 42.92 42.20 2dj1 s ASP 67 CO 0.63 0.03 1.09 -2.16 1.18 0.00 0.00 175.17 175.95 2dj1 s PRO 68 N 1.14 0.36 -0.03 8.23 0.04 -1.26 -5.01 135.00 138.47 2dj1 s PRO 68 Ca 0.01 0.50 -0.30 0.00 0.04 0.00 0.00 61.00 61.25 2dj1 s PRO 68 Cb -0.14 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 2dj1 s PRO 68 CO -0.05 -2.78 1.47 -1.25 0.04 0.00 0.00 177.00 174.44 2dj1 s PRO 69 N -4.97 4.24 0.06 0.56 0.04 -0.58 -4.96 135.00 129.39 2dj1 s PRO 69 Ca 0.65 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.73 2dj1 s PRO 69 Cb -0.19 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 2dj1 s PRO 69 CO 0.58 -0.68 0.09 0.42 0.04 0.00 0.00 177.00 177.45 2dj1 s ILE 70 N 2.98 4.67 -0.15 0.56 1.01 -1.20 -5.04 121.20 124.02 2dj1 s ILE 70 Ca 0.66 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 60.63 2dj1 s ILE 70 Cb -0.31 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 2dj1 s ILE 70 CO 0.26 0.18 -0.06 0.00 0.00 0.00 0.00 174.94 175.32 2dj1 s ALA 71 N -1.36 2.89 -0.15 9.38 0.00 -1.26 -3.80 121.76 127.46 2dj1 s ALA 71 Ca 0.29 -0.86 -0.07 0.00 0.00 0.00 0.00 51.96 51.31 2dj1 s ALA 71 Cb -0.12 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 2dj1 s ALA 71 CO 0.21 0.17 0.11 0.08 0.00 0.00 0.00 175.76 176.33 2dj1 s VAL 72 N 0.44 5.23 0.23 0.00 1.01 -1.26 -2.28 120.40 123.78 2dj1 s VAL 72 Ca -0.05 0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 2dj1 s VAL 72 Cb -0.15 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 32.93 2dj1 s VAL 72 CO 0.03 0.54 0.51 0.00 0.00 0.00 0.00 175.10 176.19 2dj1 s ALA 73 N -0.41 -0.55 0.17 5.51 0.00 -0.98 -1.54 121.76 123.95 2dj1 s ALA 73 Ca 0.11 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.46 2dj1 s ALA 73 Cb -0.12 0.96 -0.05 0.00 0.00 0.00 0.00 23.12 23.92 2dj1 s ALA 73 CO 0.02 -0.86 0.02 -1.59 0.00 0.00 0.00 175.76 173.34 2dj1 s LYS 74 N -3.96 1.10 -0.00 0.00 0.00 -0.85 -1.20 119.74 114.83 2dj1 s LYS 74 Ca 0.17 -1.54 -0.01 0.00 0.00 0.00 0.00 55.97 54.60 2dj1 s LYS 74 Cb -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 37.83 37.62 2dj1 s LYS 74 CO 0.05 -0.16 0.01 0.42 0.00 0.00 0.00 175.35 175.68 2dj1 s ILE 75 N -3.72 0.01 -1.26 3.79 1.01 0.92 -1.74 121.20 120.21 2dj1 s ILE 75 Ca 0.25 -0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.69 2dj1 s ILE 75 Cb 0.06 -0.05 0.13 0.00 0.01 0.00 0.00 42.46 42.62 2dj1 s ILE 75 CO 0.04 -0.03 1.60 0.47 0.00 0.00 0.00 174.94 177.02 2dj1 n ASP 76 N 2.97 5.07 -0.31 3.58 9.92 -1.26 -2.07 116.55 134.45 2dj1 n ASP 76 Ca -0.13 -2.96 0.18 0.00 -0.53 0.00 0.00 54.79 51.35 2dj1 n ASP 76 Cb 0.60 -1.63 0.34 0.00 -0.64 0.00 0.00 41.12 39.79 2dj1 n ASP 76 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dj1 n ALA 77 N 6.48 0.60 -0.29 2.24 0.00 -1.24 0.13 120.51 128.42 2dj1 n ALA 77 Ca 0.42 0.98 0.10 0.00 0.00 0.00 0.00 53.44 54.94 2dj1 n ALA 77 Cb 0.43 -0.78 0.26 0.00 0.00 0.00 0.00 19.45 19.36 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 0.51 0.16 0.00 1.35 -1.89 -0.86 112.91 112.19 2dj1 h THR 78 Ca 0.62 -0.13 -0.30 0.00 -0.55 0.00 0.00 66.41 66.04 2dj1 h THR 78 Cb 1.39 0.09 0.01 0.00 -1.73 0.00 0.00 68.15 67.92 2dj1 h THR 78 CO -0.83 0.07 -1.40 0.28 -0.25 0.00 0.00 175.52 173.39 2dj1 h SER 79 N 0.39 0.54 -3.08 5.36 0.02 0.64 -3.41 113.55 114.00 2dj1 h SER 79 Ca 0.51 -0.62 -0.74 0.00 -0.84 0.00 0.00 61.79 60.10 2dj1 h SER 79 Cb 0.91 -0.18 -0.22 0.00 0.14 0.00 0.00 62.40 63.05 2dj1 h SER 79 CO -0.51 1.50 -0.01 0.00 -1.14 0.00 0.00 176.83 176.67 2dj1 s ALA 80 N -2.63 3.60 0.04 3.77 0.00 -0.16 -4.90 121.76 121.49 2dj1 s ALA 80 Ca -0.07 -2.53 -0.18 0.00 0.00 0.00 0.00 51.96 49.18 2dj1 s ALA 80 Cb 0.06 -3.44 -0.22 0.00 0.00 0.00 0.00 23.12 19.53 2dj1 s ALA 80 CO 0.89 -2.22 1.16 0.66 0.00 0.00 0.00 175.76 176.25 2dj1 h SER 81 N 8.86 0.67 0.63 0.00 4.64 -1.81 -2.64 113.55 123.90 2dj1 h SER 81 Ca -0.23 -0.72 -0.03 0.00 -0.47 0.00 0.00 61.79 60.34 2dj1 h SER 81 Cb 1.08 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2dj1 h SER 81 CO 1.03 1.30 -0.36 -0.03 -0.87 0.00 0.00 176.83 177.90 2dj1 h MET 82 N 0.10 -0.89 -0.72 4.77 1.85 -1.91 -1.97 114.93 116.17 2dj1 h MET 82 Ca -0.08 0.06 0.12 0.00 -0.61 0.00 0.00 59.70 59.19 2dj1 h MET 82 Cb 1.38 0.20 -0.09 0.00 0.43 0.00 0.00 31.60 33.53 2dj1 h MET 82 CO 0.14 -0.59 0.30 -0.07 -0.40 0.00 0.00 176.91 176.28 2dj1 h LEU 83 N -0.92 0.30 -0.29 3.39 3.38 -1.95 -0.86 115.31 118.35 2dj1 h LEU 83 Ca -0.08 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.05 2dj1 h LEU 83 Cb 0.73 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 2dj1 h LEU 83 CO 0.10 0.14 -0.25 0.00 0.09 0.00 0.00 178.44 178.52 2dj1 h ALA 84 N 1.50 -0.10 -0.45 1.53 0.00 -1.32 -0.88 119.26 119.54 2dj1 h ALA 84 Ca 0.38 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.33 2dj1 h ALA 84 Cb 0.53 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2dj1 h ALA 84 CO -0.36 -0.66 0.06 0.77 0.00 0.00 0.00 179.25 179.06 2dj1 h SER 85 N -0.23 0.65 -0.39 0.00 0.02 -0.56 0.34 113.55 113.38 2dj1 h SER 85 Ca 0.15 -0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.05 2dj1 h SER 85 Cb 0.47 -0.17 -0.09 0.00 0.14 0.00 0.00 62.40 62.75 2dj1 h SER 85 CO -0.43 0.68 -0.44 0.50 -1.14 0.00 0.00 176.83 176.00 2dj1 h LYS 86 N 0.67 -0.33 -1.00 3.45 3.64 0.21 0.70 116.57 123.91 2dj1 h LYS 86 Ca 0.14 0.02 -0.41 0.00 -1.27 0.00 0.00 60.65 59.14 2dj1 h LYS 86 Cb 0.32 0.08 -0.24 0.00 -0.41 0.00 0.00 32.23 31.97 2dj1 h LYS 86 CO 0.00 -0.22 0.52 1.19 -2.27 0.00 0.00 179.45 178.67 2dj1 n PHE 87 N -5.41 2.44 -4.35 1.91 3.01 -1.07 -4.89 117.46 109.10 2dj1 n PHE 87 Ca -0.01 -1.56 -0.39 0.00 1.01 0.00 0.00 57.45 56.49 2dj1 n PHE 87 Cb 0.35 -0.80 -0.08 0.00 -0.01 0.00 0.00 39.48 38.94 2dj1 n PHE 87 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2dj1 n ASP 88 N -0.80 -1.48 -4.56 4.37 -0.08 0.24 -4.76 116.55 109.49 2dj1 n ASP 88 Ca 0.47 -1.18 -0.39 0.00 -1.51 0.00 0.00 54.79 52.19 2dj1 n ASP 88 Cb 1.43 -1.50 -0.03 0.00 2.34 0.00 0.00 41.12 43.36 2dj1 n ASP 88 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2dj1 s VAL 89 N -3.23 3.38 -0.23 5.18 1.01 0.12 -4.79 120.40 121.83 2dj1 s VAL 89 Ca 0.72 0.25 0.11 0.00 0.00 0.00 0.00 61.98 63.05 2dj1 s VAL 89 Cb -0.42 -3.93 0.44 0.00 0.00 0.00 0.00 36.38 32.48 2dj1 s VAL 89 CO 0.97 -0.87 1.20 -1.20 0.00 0.00 0.00 175.10 175.20 2dj1 n SER 90 N 12.43 2.91 -3.66 3.32 7.64 -1.26 -4.75 113.62 130.24 2dj1 n SER 90 Ca 0.20 -3.66 0.02 0.00 1.01 0.00 0.00 58.87 56.44 2dj1 n SER 90 Cb 0.51 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2dj1 n SER 90 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dj1 s GLY 91 N -3.33 -0.32 -0.08 0.23 0.00 -1.26 -5.19 107.32 97.37 2dj1 s GLY 91 Ca 0.42 0.49 -0.30 0.00 0.00 0.00 0.00 44.72 45.33 2dj1 s GLY 91 CO -0.03 1.70 0.83 -0.19 0.00 0.00 0.00 173.10 175.41 2dj1 s TYR 92 N -2.29 -0.50 0.61 1.90 1.51 -1.26 -4.30 117.35 113.02 2dj1 s TYR 92 Ca 0.19 0.80 -0.17 0.00 -1.01 0.00 0.00 57.07 56.87 2dj1 s TYR 92 Cb 0.03 0.45 -0.02 0.00 -0.11 0.00 0.00 41.96 42.31 2dj1 s TYR 92 CO -0.03 -0.50 1.12 -1.25 -1.11 0.00 0.00 175.55 173.77 2dj1 s PRO 93 N -1.47 3.01 -0.01 -1.71 0.04 -1.26 -5.05 135.00 128.56 2dj1 s PRO 93 Ca -0.05 1.47 -0.01 0.00 0.04 0.00 0.00 61.00 62.46 2dj1 s PRO 93 Cb -0.00 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.58 2dj1 s PRO 93 CO 0.04 -1.10 0.03 0.99 0.04 0.00 0.00 177.00 177.00 2dj1 s THR 94 N -2.13 -0.02 -0.04 1.26 2.01 -1.01 -5.03 115.64 110.68 2dj1 s THR 94 Ca 0.69 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.83 2dj1 s THR 94 Cb -0.22 -0.06 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 2dj1 s THR 94 CO 0.36 0.03 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.48 2dj1 s ILE 95 N 0.41 1.70 0.25 1.82 1.01 -1.26 0.23 121.20 125.36 2dj1 s ILE 95 Ca -0.03 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.74 2dj1 s ILE 95 Cb -0.05 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.94 2dj1 s ILE 95 CO -0.01 0.48 0.10 -0.54 0.00 0.00 0.00 174.94 174.97 2dj1 s LYS 96 N -0.20 1.40 -0.05 2.79 -0.14 0.64 -3.84 119.74 120.32 2dj1 s LYS 96 Ca 0.00 -1.76 0.02 0.00 -1.36 0.00 0.00 55.97 52.88 2dj1 s LYS 96 Cb -0.11 -0.19 0.01 0.00 -1.68 0.00 0.00 37.83 35.86 2dj1 s LYS 96 CO 0.02 -0.31 -0.11 0.42 -0.76 0.00 0.00 175.35 174.60 2dj1 s ILE 97 N -3.80 1.02 -0.38 2.17 1.01 -1.10 -2.18 121.20 117.94 2dj1 s ILE 97 Ca 0.38 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.49 2dj1 s ILE 97 Cb 0.08 -0.93 0.04 0.00 0.01 0.00 0.00 42.46 41.65 2dj1 s ILE 97 CO 0.14 0.32 0.22 -0.22 0.00 0.00 0.00 174.94 175.40 2dj1 s LEU 98 N 0.57 4.81 -0.41 2.97 2.96 -0.96 -0.98 118.68 127.64 2dj1 s LEU 98 Ca -0.12 -1.07 -0.08 0.00 -0.22 0.00 0.00 54.13 52.65 2dj1 s LEU 98 Cb -0.14 -2.02 0.08 0.00 0.50 0.00 0.00 46.19 44.60 2dj1 s LEU 98 CO 0.03 -0.42 0.23 -0.75 -1.32 0.00 0.00 176.35 174.12 2dj1 s LYS 99 N 1.54 2.50 -0.72 1.98 2.47 -0.50 -2.35 119.74 124.65 2dj1 s LYS 99 Ca 0.02 -1.50 0.00 0.00 -1.56 0.00 0.00 55.97 52.93 2dj1 s LYS 99 Cb -0.20 -3.70 0.00 0.00 -1.46 0.00 0.00 37.83 32.47 2dj1 s LYS 99 CO 0.06 -0.95 0.00 1.63 0.16 0.00 0.00 175.35 176.26 2dj1 n LYS 100 N 4.85 -2.38 -0.22 4.03 5.02 0.06 0.93 118.16 130.44 2dj1 n LYS 100 Ca -0.09 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 2dj1 n LYS 100 Cb 0.43 -4.94 0.00 0.00 -0.02 0.00 0.00 35.03 30.49 2dj1 n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dj1 n GLY 101 N -0.66 0.87 3.26 0.72 0.00 -1.26 -5.07 105.19 103.05 2dj1 n GLY 101 Ca -0.10 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 2dj1 n GLY 101 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dj1 s GLN 102 N -0.53 2.84 -0.25 1.61 -0.21 0.26 -5.07 119.66 118.31 2dj1 s GLN 102 Ca 0.00 -1.00 -0.29 0.00 0.02 0.00 0.00 55.36 54.09 2dj1 s GLN 102 Cb 0.00 -3.22 -0.02 0.00 1.00 0.00 0.00 33.01 30.78 2dj1 s GLN 102 CO 0.00 -0.48 1.56 0.00 -2.12 0.00 0.00 175.29 174.24 2dj1 s ALA 103 N 1.39 3.25 -0.34 6.09 0.00 -1.26 -1.41 121.76 129.47 2dj1 s ALA 103 Ca -0.00 0.35 -0.06 0.00 0.00 0.00 0.00 51.96 52.25 2dj1 s ALA 103 Cb -0.18 -3.85 0.04 0.00 0.00 0.00 0.00 23.12 19.14 2dj1 s ALA 103 CO -0.01 -1.98 0.11 0.08 0.00 0.00 0.00 175.76 173.96 2dj1 s VAL 104 N 5.16 3.74 -0.08 0.00 1.01 -0.15 -5.00 120.40 125.08 2dj1 s VAL 104 Ca 0.68 -1.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2dj1 s VAL 104 Cb -0.23 -3.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.93 2dj1 s VAL 104 CO 0.28 -0.21 2.07 -0.90 0.00 0.00 0.00 175.10 176.35 2dj1 n ASP 105 N 4.80 3.74 -4.70 3.32 5.75 -1.26 -2.71 116.55 125.48 2dj1 n ASP 105 Ca -0.12 0.62 -0.42 0.00 -0.01 0.00 0.00 54.79 54.86 2dj1 n ASP 105 Cb 0.44 -1.52 -0.03 0.00 -1.03 0.00 0.00 41.12 38.98 2dj1 n ASP 105 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2dj1 s TYR 106 N 6.00 2.92 -0.67 2.11 5.04 -1.25 -4.97 117.35 126.53 2dj1 s TYR 106 Ca 0.94 0.73 0.02 0.00 -2.44 0.00 0.00 57.07 56.33 2dj1 s TYR 106 Cb -0.42 -3.77 0.16 0.00 0.35 0.00 0.00 41.96 38.29 2dj1 s TYR 106 CO 0.40 -2.85 0.46 0.34 -1.34 0.00 0.00 175.55 172.57 2dj1 s ASP 107 N 1.64 4.96 0.00 4.32 2.15 -1.26 -5.00 116.67 123.48 2dj1 s ASP 107 Ca 0.67 -3.38 0.00 0.00 0.43 0.00 0.00 52.55 50.27 2dj1 s ASP 107 Cb -0.37 -1.73 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 2dj1 s ASP 107 CO 0.30 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.70 2dj1 n GLY 108 N 2.69 3.38 1.80 2.66 0.00 -1.26 -5.05 105.19 109.41 2dj1 n GLY 108 Ca 0.13 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 2dj1 n GLY 108 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dj1 n SER 109 N 0.00 4.49 -4.16 1.61 7.64 -1.26 -4.95 113.62 116.99 2dj1 n SER 109 Ca 0.00 -3.78 -0.34 0.00 1.01 0.00 0.00 58.87 55.76 2dj1 n SER 109 Cb 0.00 -0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 62.73 2dj1 n SER 109 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2dj1 n ARG 110 N -0.79 -0.82 -4.68 1.43 1.85 -1.26 -4.89 116.66 107.51 2dj1 n ARG 110 Ca 0.41 0.11 -0.33 0.00 -1.00 0.00 0.00 57.85 57.03 2dj1 n ARG 110 Cb 0.92 -3.81 -0.13 0.00 -1.05 0.00 0.00 32.46 28.39 2dj1 n ARG 110 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2dj1 s THR 111 N -3.42 3.44 0.62 8.89 -4.23 -1.26 -4.92 115.64 114.76 2dj1 s THR 111 Ca 0.48 -0.55 0.23 0.00 -1.18 0.00 0.00 61.69 60.67 2dj1 s THR 111 Cb -0.28 -2.43 0.33 0.00 1.34 0.00 0.00 72.50 71.46 2dj1 s THR 111 CO 0.90 0.56 1.37 -0.61 -0.54 0.00 0.00 174.62 176.30 2dj1 h GLN 112 N 5.90 0.00 0.00 3.99 4.15 -1.92 0.37 115.11 127.60 2dj1 h GLN 112 Ca -0.39 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.03 2dj1 h GLN 112 Cb 1.18 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.87 2dj1 h GLN 112 CO 0.55 0.00 -0.01 0.93 -1.93 0.00 0.00 178.83 178.37 2dj1 h GLU 113 N 0.00 0.00 0.42 1.69 5.08 -1.97 -3.24 114.58 116.56 2dj1 h GLU 113 Ca 0.35 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 2dj1 h GLU 113 Cb 2.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.69 2dj1 h GLU 113 CO -0.00 0.51 -0.20 0.93 -1.00 0.00 0.00 179.01 179.24 2dj1 h GLU 114 N -1.00 -0.55 -0.91 2.33 5.08 -0.80 -0.13 114.58 118.61 2dj1 h GLU 114 Ca -0.00 0.04 0.26 0.00 -1.00 0.00 0.00 59.36 58.66 2dj1 h GLU 114 Cb 0.51 0.12 -0.17 0.00 0.50 0.00 0.00 28.75 29.71 2dj1 h GLU 114 CO -0.00 -0.36 0.06 -0.89 -1.00 0.00 0.00 179.01 176.81 2dj1 n ILE 115 N -4.32 -0.38 -0.04 3.13 5.41 0.39 0.91 119.36 124.46 2dj1 n ILE 115 Ca -0.07 1.99 -0.16 0.00 1.00 0.00 0.00 62.75 65.51 2dj1 n ILE 115 Cb 0.22 -2.93 -0.08 0.00 -0.71 0.00 0.00 39.64 36.14 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 1.34 -0.29 1.39 2.07 -1.58 -1.10 116.25 118.08 2dj1 h VAL 116 Ca 0.57 -1.81 0.08 0.00 0.82 0.00 0.00 66.70 66.37 2dj1 h VAL 116 Cb 1.22 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 2dj1 h VAL 116 CO -0.84 0.55 0.22 0.00 0.02 0.00 0.00 177.57 177.52 2dj1 h ALA 117 N 0.52 2.22 0.00 1.67 0.00 0.25 0.94 119.26 124.86 2dj1 h ALA 117 Ca -0.03 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2dj1 h ALA 117 Cb 1.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2dj1 h ALA 117 CO 0.11 -0.37 -0.78 -0.22 0.00 0.00 0.00 179.25 177.99 2dj1 h LYS 118 N 0.00 0.00 0.00 0.00 1.63 -0.74 -3.00 116.57 114.45 2dj1 h LYS 118 Ca 0.14 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 2dj1 h LYS 118 Cb 0.58 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 2dj1 h LYS 118 CO -0.00 0.74 0.05 0.28 -3.45 0.00 0.00 179.45 177.07 2dj1 h VAL 119 N -1.00 0.00 0.02 2.00 2.07 -0.97 0.79 116.25 119.16 2dj1 h VAL 119 Ca -0.19 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.01 2dj1 h VAL 119 Cb 1.00 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 2dj1 h VAL 119 CO -0.11 0.00 -1.86 -2.11 0.02 0.00 0.00 177.57 173.50 2dj1 n ARG 120 N -2.75 0.66 0.09 1.57 1.85 0.31 -3.40 116.66 114.99 2dj1 n ARG 120 Ca -0.02 0.25 -0.18 0.00 -1.00 0.00 0.00 57.85 56.89 2dj1 n ARG 120 Cb 0.11 -1.74 -0.11 0.00 -1.05 0.00 0.00 32.46 29.67 2dj1 n ARG 120 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 2dj1 h GLU 121 N 0.01 0.47 0.08 2.89 4.11 -0.95 -3.33 114.58 117.87 2dj1 h GLU 121 Ca -0.35 -0.64 -0.00 0.00 0.07 0.00 0.00 59.36 58.44 2dj1 h GLU 121 Cb 2.04 0.21 0.00 0.00 0.50 0.00 0.00 28.75 31.51 2dj1 h GLU 121 CO 0.07 1.27 -0.04 0.28 0.07 0.00 0.00 179.01 180.66 2dj1 h VAL 122 N 0.20 1.13 -0.99 -1.06 2.07 -1.10 -3.12 116.25 113.38 2dj1 h VAL 122 Ca -0.15 -0.84 0.37 0.00 0.82 0.00 0.00 66.70 66.91 2dj1 h VAL 122 Cb 1.86 1.67 -0.17 0.00 -1.52 0.00 0.00 31.29 33.12 2dj1 h VAL 122 CO 0.21 0.20 0.45 0.77 0.02 0.00 0.00 177.57 179.22 2dj1 h SER 123 N -0.50 0.20 -1.95 0.57 4.64 -1.68 -3.41 113.55 111.42 2dj1 h SER 123 Ca -0.01 0.25 -0.63 0.00 -0.47 0.00 0.00 61.79 60.93 2dj1 h SER 123 Cb 0.42 0.28 0.12 0.00 -0.31 0.00 0.00 62.40 62.91 2dj1 h SER 123 CO 0.02 -0.36 -0.19 0.00 -0.87 0.00 0.00 176.83 175.43 2dj1 n GLN 124 N -5.26 0.76 0.24 4.77 1.13 -1.18 -4.85 117.38 112.98 2dj1 n GLN 124 Ca 0.34 0.27 0.11 0.00 -1.94 0.00 0.00 57.00 55.78 2dj1 n GLN 124 Cb 1.12 -1.50 0.54 0.00 0.11 0.00 0.00 30.24 30.52 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 1.45 0.00 0.07 -1.09 0.13 -1.89 -3.08 132.00 127.59 2dj1 h PRO 125 Ca -0.36 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.52 2dj1 h PRO 125 Cb 1.38 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.54 2dj1 h PRO 125 CO 0.58 0.18 -1.04 0.38 -0.23 0.00 0.00 178.00 177.87 2dj1 h ASP 126 N 0.00 0.79 -2.14 1.44 3.04 -1.90 -3.46 116.42 114.20 2dj1 h ASP 126 Ca -0.00 -0.80 -0.60 0.00 -3.24 0.00 0.00 57.03 52.39 2dj1 h ASP 126 Cb 0.63 -0.25 0.18 0.00 -1.04 0.00 0.00 39.33 38.85 2dj1 h ASP 126 CO 0.02 1.51 -1.01 1.87 -2.04 0.00 0.00 179.24 179.59 2dj1 n TRP 127 N -3.92 -2.46 -3.98 4.15 -0.00 -1.17 -5.00 117.44 105.07 2dj1 n TRP 127 Ca -0.13 0.47 -0.09 0.00 -0.00 0.00 0.00 57.50 57.75 2dj1 n TRP 127 Cb 0.89 -1.74 -0.10 0.00 -0.00 0.00 0.00 31.31 30.36 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 -1.93 0.13 0.54 5.87 -4.23 -1.26 -5.02 115.64 109.75 2dj1 s THR 128 Ca 0.59 -1.09 -0.19 0.00 -1.18 0.00 0.00 61.69 59.82 2dj1 s THR 128 Cb -0.50 -0.63 -0.06 0.00 1.34 0.00 0.00 72.50 72.66 2dj1 s THR 128 CO 0.64 -0.60 1.13 -2.16 -0.54 0.00 0.00 174.62 173.09 2dj1 s PRO 129 N -2.12 3.35 0.72 3.99 0.04 -1.26 -5.02 135.00 134.71 2dj1 s PRO 129 Ca -0.10 1.60 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 2dj1 s PRO 129 Cb -0.05 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.52 2dj1 s PRO 129 CO -0.03 -0.85 1.10 -1.25 0.04 0.00 0.00 177.00 176.01 2dj1 s PRO 130 N -3.30 2.49 0.00 0.56 0.04 -1.26 -4.91 135.00 128.62 2dj1 s PRO 130 Ca 0.73 1.26 0.16 0.00 0.04 0.00 0.00 61.00 63.18 2dj1 s PRO 130 Cb -0.24 -1.92 0.93 0.00 0.04 0.00 0.00 34.50 33.32 2dj1 s PRO 130 CO 0.27 -1.48 1.35 -0.35 0.04 0.00 0.00 177.00 176.83 2dj1 n PRO 131 N -3.05 0.49 -1.67 0.56 -0.04 -1.26 -4.65 135.00 125.38 2dj1 n PRO 131 Ca 0.10 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.40 2dj1 n PRO 131 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 2dj1 n PRO 131 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2dj1 s GLU 132 N -2.00 1.61 -0.70 0.54 2.56 -1.26 -4.87 118.70 114.57 2dj1 s GLU 132 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 54.97 54.93 2dj1 s GLU 132 Cb 0.11 -4.91 0.03 0.00 2.00 0.00 0.00 34.13 31.36 2dj1 s GLU 132 CO 0.18 -4.66 1.26 0.08 -0.56 0.00 0.00 175.26 171.56 2dj1 s VAL 133 N 14.81 3.79 0.48 3.70 1.01 -1.26 -5.00 120.40 137.92 2dj1 s VAL 133 Ca 0.85 0.52 0.09 0.00 0.00 0.00 0.00 61.98 63.44 2dj1 s VAL 133 Cb -0.09 -4.87 0.04 0.00 0.00 0.00 0.00 36.38 31.46 2dj1 s VAL 133 CO 0.11 -1.74 0.66 0.42 0.00 0.00 0.00 175.10 174.54 2dj1 s THR 134 N 5.57 2.68 -0.02 3.92 -4.23 -1.26 -5.13 115.64 117.18 2dj1 s THR 134 Ca 0.37 -1.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.93 2dj1 s THR 134 Cb -0.08 -2.68 -0.01 0.00 1.34 0.00 0.00 72.50 71.07 2dj1 s THR 134 CO 0.17 0.00 -0.15 -0.55 -0.54 0.00 0.00 174.62 173.56 2dj1 s SER 135 N -4.47 1.73 -0.45 3.99 0.15 -1.26 -5.10 113.70 108.29 2dj1 s SER 135 Ca 0.58 -0.27 0.06 0.00 0.70 0.00 0.00 55.95 57.02 2dj1 s SER 135 Cb -0.08 -0.24 0.18 0.00 -1.71 0.00 0.00 66.02 64.16 2dj1 s SER 135 CO 0.35 0.17 0.58 -0.83 1.20 0.00 0.00 173.24 174.71 2dj1 s GLY 136 N -0.27 -0.62 1.08 9.45 0.00 -1.26 -5.16 107.32 110.55 2dj1 s GLY 136 Ca 0.04 -0.73 -0.15 0.00 0.00 0.00 0.00 44.72 43.88 2dj1 s GLY 136 CO -0.00 3.23 1.10 2.56 0.00 0.00 0.00 173.10 179.99 2dj1 s PRO 137 N 1.04 -0.24 -0.11 2.90 0.04 -1.26 -5.06 135.00 132.31 2dj1 s PRO 137 Ca 0.25 0.29 0.03 0.00 0.04 0.00 0.00 61.00 61.61 2dj1 s PRO 137 Cb -0.03 -1.68 0.01 0.00 0.04 0.00 0.00 34.50 32.84 2dj1 s PRO 137 CO -0.07 -3.13 -0.21 0.45 0.04 0.00 0.00 177.00 174.08 2dj1 s SER 138 N -3.61 2.87 -0.18 6.66 0.15 -1.26 -5.12 113.70 113.21 2dj1 s SER 138 Ca 0.67 -0.53 -0.14 0.00 0.70 0.00 0.00 55.95 56.66 2dj1 s SER 138 Cb -0.16 -1.31 0.05 0.00 -1.71 0.00 0.00 66.02 62.89 2dj1 s SER 138 CO 0.57 0.10 0.47 -0.94 1.20 0.00 0.00 173.24 174.64 2dj1 s SER 139 N 0.59 -0.53 0.00 5.45 1.04 -1.26 -5.35 113.70 113.65 2dj1 s SER 139 Ca -0.14 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.27 2dj1 s SER 139 Cb -0.17 0.93 0.00 0.00 0.10 0.00 0.00 66.02 66.88 2dj1 s SER 139 CO 0.04 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.69