#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 0.83 -3.91 1.61 2.88 -1.26 -5.03 113.62 108.74 2dj1 n SER 2 Ca 0.00 0.16 -0.29 0.00 -1.33 0.00 0.00 58.87 57.41 2dj1 n SER 2 Cb 0.00 -0.21 0.02 0.00 -0.75 0.00 0.00 64.21 63.27 2dj1 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dj1 n SER 3 N -3.42 -3.86 -4.34 -3.46 7.64 -1.26 -4.94 113.62 99.97 2dj1 n SER 3 Ca 0.00 -0.82 -0.40 0.00 1.01 0.00 0.00 58.87 58.67 2dj1 n SER 3 Cb 0.06 -3.78 -0.11 0.00 -1.01 0.00 0.00 64.21 59.36 2dj1 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dj1 s GLY 4 N -3.54 1.91 0.09 0.23 0.00 -1.26 -5.04 107.32 99.71 2dj1 s GLY 4 Ca 0.53 -1.75 -0.26 0.00 0.00 0.00 0.00 44.72 43.23 2dj1 s GLY 4 CO 0.84 0.84 0.88 -1.35 0.00 0.00 0.00 173.10 174.31 2dj1 s SER 5 N 1.54 -0.31 0.03 1.64 1.04 -1.26 -5.19 113.70 111.20 2dj1 s SER 5 Ca 0.01 -0.19 -0.19 0.00 0.48 0.00 0.00 55.95 56.06 2dj1 s SER 5 Cb -0.19 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.43 2dj1 s SER 5 CO 0.06 -0.80 0.43 -0.55 0.98 0.00 0.00 173.24 173.36 2dj1 s SER 6 N -2.71 -0.32 0.00 7.02 0.15 -1.26 -5.11 113.70 111.48 2dj1 s SER 6 Ca 0.08 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2dj1 s SER 6 Cb -0.01 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 2dj1 s SER 6 CO -0.04 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.38 2dj1 n GLY 7 N 0.66 -1.90 2.78 9.45 0.00 -1.26 -5.16 105.19 109.77 2dj1 n GLY 7 Ca -0.19 0.87 -0.15 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 0.06 -1.02 1.61 -4.77 -1.26 -5.08 116.67 106.21 2dj1 s ASP 8 Ca 0.00 0.06 -0.23 0.00 -3.30 0.00 0.00 52.55 49.07 2dj1 s ASP 8 Cb 0.00 -0.05 -0.01 0.00 -1.09 0.00 0.00 42.92 41.77 2dj1 s ASP 8 CO 0.00 -0.13 1.76 -1.81 0.70 0.00 0.00 175.17 175.70 2dj1 s ASP 9 N 1.04 5.74 0.14 2.11 1.01 -1.26 -4.48 116.67 120.97 2dj1 s ASP 9 Ca -0.09 -1.23 0.00 0.00 0.71 0.00 0.00 52.55 51.94 2dj1 s ASP 9 Cb -0.12 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.24 2dj1 s ASP 9 CO -0.03 -2.23 0.00 0.47 0.21 0.00 0.00 175.17 173.59 2dj1 n ASP 10 N 11.82 0.39 -4.58 0.27 9.92 -1.26 -4.94 116.55 128.17 2dj1 n ASP 10 Ca 0.39 0.23 -0.18 0.00 -0.53 0.00 0.00 54.79 54.70 2dj1 n ASP 10 Cb 0.48 0.01 -0.09 0.00 -0.64 0.00 0.00 41.12 40.88 2dj1 n ASP 10 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2dj1 s LEU 11 N -6.50 2.63 0.31 0.64 0.05 -1.26 -4.89 118.68 109.65 2dj1 s LEU 11 Ca 0.00 -0.99 0.07 0.00 0.05 0.00 0.00 54.13 53.26 2dj1 s LEU 11 Cb 0.00 -2.59 -0.03 0.00 -2.05 0.00 0.00 46.19 41.53 2dj1 s LEU 11 CO 0.00 -4.16 0.29 -0.70 -0.55 0.00 0.00 176.35 171.23 2dj1 s GLU 12 N 7.97 2.88 -0.02 1.48 2.12 -1.26 -5.02 118.70 126.85 2dj1 s GLU 12 Ca 0.79 -1.16 0.01 0.00 0.36 0.00 0.00 54.97 54.98 2dj1 s GLU 12 Cb -0.05 -2.57 0.01 0.00 0.26 0.00 0.00 34.13 31.77 2dj1 s GLU 12 CO 0.15 0.20 -0.05 0.08 -0.54 0.00 0.00 175.26 175.10 2dj1 s VAL 13 N -2.22 0.43 0.59 3.70 1.01 -1.26 -4.84 120.40 117.81 2dj1 s VAL 13 Ca 0.39 -0.16 0.10 0.00 0.00 0.00 0.00 61.98 62.30 2dj1 s VAL 13 Cb -0.07 -0.41 0.09 0.00 0.00 0.00 0.00 36.38 35.99 2dj1 s VAL 13 CO 0.27 0.16 0.79 -0.54 0.00 0.00 0.00 175.10 175.78 2dj1 s LYS 14 N 0.31 2.24 -0.15 2.72 1.02 -1.26 -4.95 119.74 119.68 2dj1 s LYS 14 Ca -0.03 -1.72 -0.04 0.00 0.02 0.00 0.00 55.97 54.19 2dj1 s LYS 14 Cb -0.07 -2.59 0.07 0.00 -0.52 0.00 0.00 37.83 34.72 2dj1 s LYS 14 CO -0.00 -0.92 0.24 -1.83 -0.92 0.00 0.00 175.35 171.92 2dj1 s GLU 15 N -4.68 0.16 -0.23 1.68 -1.05 -1.26 -1.37 118.70 111.95 2dj1 s GLU 15 Ca 0.61 0.55 -0.06 0.00 -0.15 0.00 0.00 54.97 55.91 2dj1 s GLU 15 Cb -0.05 -0.45 -0.03 0.00 -0.44 0.00 0.00 34.13 33.16 2dj1 s GLU 15 CO 0.38 -0.42 0.04 -1.21 0.95 0.00 0.00 175.26 175.00 2dj1 s GLU 16 N 2.38 3.65 -1.66 -4.83 8.01 0.82 -4.60 118.70 122.47 2dj1 s GLU 16 Ca 0.04 -0.49 -0.10 0.00 0.01 0.00 0.00 54.97 54.42 2dj1 s GLU 16 Cb -0.13 -3.22 0.10 0.00 -4.31 0.00 0.00 34.13 26.57 2dj1 s GLU 16 CO -0.10 -0.10 0.37 0.09 0.01 0.00 0.00 175.26 175.54 2dj1 n ASN 17 N 4.61 -0.78 -1.26 -0.19 3.02 -1.26 0.26 115.26 119.67 2dj1 n ASN 17 Ca -0.17 -1.19 -0.07 0.00 -0.03 0.00 0.00 54.58 53.13 2dj1 n ASN 17 Cb 0.52 -2.00 0.02 0.00 -0.61 0.00 0.00 39.78 37.70 2dj1 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dj1 n GLY 18 N -1.84 0.39 2.63 7.41 0.00 -1.26 -4.73 105.19 107.80 2dj1 n GLY 18 Ca -0.12 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.89 0.02 -0.01 1.61 1.01 0.14 -4.56 120.40 115.71 2dj1 s VAL 19 Ca 0.13 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 2dj1 s VAL 19 Cb -0.06 -0.63 -0.07 0.00 0.00 0.00 0.00 36.38 35.62 2dj1 s VAL 19 CO 0.16 -0.25 1.72 0.26 0.00 0.00 0.00 175.10 177.00 2dj1 s TRP 20 N 2.09 1.91 -0.46 5.22 0.52 -0.84 -0.13 118.94 127.26 2dj1 s TRP 20 Ca 0.02 0.07 -0.24 0.00 0.02 0.00 0.00 56.10 55.96 2dj1 s TRP 20 Cb -0.16 -4.00 0.03 0.00 -1.15 0.00 0.00 33.47 28.19 2dj1 s TRP 20 CO -0.09 -4.24 0.86 0.08 0.02 0.00 0.00 176.95 173.59 2dj1 s VAL 21 N 3.86 4.55 0.40 4.03 1.01 -0.47 -1.82 120.40 131.96 2dj1 s VAL 21 Ca 0.77 0.60 0.08 0.00 0.00 0.00 0.00 61.98 63.43 2dj1 s VAL 21 Cb -0.37 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.63 2dj1 s VAL 21 CO 0.33 -0.78 0.52 -0.76 0.00 0.00 0.00 175.10 174.40 2dj1 s LEU 22 N 3.54 3.66 -0.06 3.92 1.43 -0.95 -4.03 118.68 126.19 2dj1 s LEU 22 Ca 0.34 -0.44 -0.31 0.00 -1.03 0.00 0.00 54.13 52.69 2dj1 s LEU 22 Cb -0.11 -2.56 0.11 0.00 0.03 0.00 0.00 46.19 43.66 2dj1 s LEU 22 CO 0.25 -0.68 1.02 0.54 0.23 0.00 0.00 176.35 177.70 2dj1 s ASN 23 N -4.28 -0.26 0.65 2.29 4.22 -1.26 -4.52 114.94 111.78 2dj1 s ASN 23 Ca 0.52 -0.04 0.14 0.00 -2.14 0.00 0.00 52.86 51.35 2dj1 s ASN 23 Cb -0.09 0.30 0.71 0.00 1.28 0.00 0.00 41.25 43.46 2dj1 s ASN 23 CO 0.32 -0.50 1.38 -2.24 -2.04 0.00 0.00 177.10 174.03 2dj1 h ASP 24 N 2.00 0.00 0.21 3.54 3.04 -1.97 2.35 116.42 125.58 2dj1 h ASP 24 Ca -0.18 0.00 -0.30 0.00 -3.24 0.00 0.00 57.03 53.31 2dj1 h ASP 24 Cb 1.21 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 39.53 2dj1 h ASP 24 CO 0.28 0.00 -1.27 1.23 -2.04 0.00 0.00 179.24 177.44 2dj1 h GLY 25 N 0.00 0.65 -0.39 7.15 0.00 -1.99 -3.36 103.07 105.11 2dj1 h GLY 25 Ca 0.06 -1.40 -0.00 0.00 0.00 0.00 0.00 47.33 45.98 2dj1 h GLY 25 CO -0.00 1.23 -0.19 1.16 0.00 0.00 0.00 176.54 178.75 2dj1 n ASN 26 N -3.75 1.67 0.35 0.19 0.23 0.26 -4.80 115.26 109.41 2dj1 n ASN 26 Ca -0.13 -2.83 -0.14 0.00 -0.53 0.00 0.00 54.58 50.95 2dj1 n ASN 26 Cb 1.00 -0.37 -0.07 0.00 -2.08 0.00 0.00 39.78 38.26 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 0.08 -0.86 -0.35 -2.53 3.57 0.34 -1.79 116.94 115.40 2dj1 h PHE 27 Ca -0.01 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 2dj1 h PHE 27 Cb 1.13 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 40.13 2dj1 h PHE 27 CO 0.08 -0.53 0.12 -0.44 -2.23 0.00 0.00 178.31 175.30 2dj1 h ASP 28 N -1.20 0.51 -0.84 0.41 3.32 -1.84 -2.30 116.42 114.48 2dj1 h ASP 28 Ca -0.09 -0.19 0.14 0.00 0.02 0.00 0.00 57.03 56.90 2dj1 h ASP 28 Cb 0.71 -0.13 -0.09 0.00 0.22 0.00 0.00 39.33 40.03 2dj1 h ASP 28 CO 0.15 0.57 0.43 0.78 -1.72 0.00 0.00 179.24 179.45 2dj1 h ASN 29 N 0.42 0.54 0.56 6.45 4.21 -1.87 0.85 115.58 126.75 2dj1 h ASN 29 Ca 0.12 0.08 -0.03 0.00 1.21 0.00 0.00 56.30 57.68 2dj1 h ASN 29 Cb 0.23 -0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.44 2dj1 h ASN 29 CO -0.01 0.24 -0.27 0.15 -1.29 0.00 0.00 177.43 176.25 2dj1 h PHE 30 N 0.64 -0.70 0.00 1.19 3.57 -1.10 -2.91 116.94 117.63 2dj1 h PHE 30 Ca 0.45 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.93 2dj1 h PHE 30 Cb 0.60 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.57 2dj1 h PHE 30 CO -0.09 -0.44 0.00 1.33 -2.23 0.00 0.00 178.31 176.88 2dj1 n VAL 31 N -4.66 0.44 -0.14 1.41 0.24 -0.88 -3.46 118.33 111.27 2dj1 n VAL 31 Ca -0.09 0.11 -0.06 0.00 -2.04 0.00 0.00 64.34 62.26 2dj1 n VAL 31 Cb 0.30 -0.93 0.01 0.00 -1.47 0.00 0.00 33.84 31.74 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 2.58 -0.00 -1.43 2.33 0.00 0.95 -2.52 119.26 121.17 2dj1 h ALA 32 Ca 0.00 0.14 -0.64 0.00 0.00 0.00 0.00 54.91 54.41 2dj1 h ALA 32 Cb 0.06 0.63 -0.38 0.00 0.00 0.00 0.00 17.79 18.10 2dj1 h ALA 32 CO 0.00 -0.63 -0.22 -0.25 0.00 0.00 0.00 179.25 178.14 2dj1 n ASP 33 N -5.41 5.48 -3.59 0.00 8.00 -1.22 -4.95 116.55 114.85 2dj1 n ASP 33 Ca 0.03 -3.75 -0.17 0.00 0.71 0.00 0.00 54.79 51.61 2dj1 n ASP 33 Cb 0.33 -0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 40.65 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 -3.69 0.13 0.26 -1.24 1.02 -0.95 -5.02 119.74 110.25 2dj1 s LYS 34 Ca 0.49 0.45 0.05 0.00 0.02 0.00 0.00 55.97 56.98 2dj1 s LYS 34 Cb 0.40 -0.64 0.33 0.00 -0.52 0.00 0.00 37.83 37.40 2dj1 s LYS 34 CO -0.24 -0.46 1.62 -0.44 -0.92 0.00 0.00 175.35 174.90 2dj1 h ASP 35 N 8.32 0.26 -3.27 2.83 5.19 -1.88 -3.42 116.42 124.45 2dj1 h ASP 35 Ca -0.15 -0.13 -0.53 0.00 -0.62 0.00 0.00 57.03 55.60 2dj1 h ASP 35 Cb 1.13 -0.07 -0.38 0.00 0.18 0.00 0.00 39.33 40.19 2dj1 h ASP 35 CO 0.20 0.74 -0.79 -0.89 -3.12 0.00 0.00 179.24 175.38 2dj1 s THR 36 N -3.91 0.93 -0.10 0.35 2.01 -1.25 -0.50 115.64 113.17 2dj1 s THR 36 Ca -0.04 -0.42 -0.00 0.00 0.31 0.00 0.00 61.69 61.53 2dj1 s THR 36 Cb 0.13 -1.09 0.02 0.00 0.01 0.00 0.00 72.50 71.57 2dj1 s THR 36 CO 0.79 0.18 -0.07 -0.69 -0.69 0.00 0.00 174.62 174.14 2dj1 s VAL 37 N 1.72 0.91 -0.15 3.82 1.01 -0.61 -4.55 120.40 122.54 2dj1 s VAL 37 Ca 0.02 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.50 2dj1 s VAL 37 Cb -0.14 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 2dj1 s VAL 37 CO -0.08 0.34 0.95 -0.22 0.00 0.00 0.00 175.10 176.10 2dj1 s LEU 38 N 1.65 4.19 -0.13 3.92 2.96 -1.23 -0.94 118.68 129.11 2dj1 s LEU 38 Ca 0.03 1.38 0.03 0.00 -0.22 0.00 0.00 54.13 55.34 2dj1 s LEU 38 Cb -0.13 -3.44 0.00 0.00 0.50 0.00 0.00 46.19 43.13 2dj1 s LEU 38 CO -0.07 -0.47 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.52 2dj1 s LEU 39 N 2.29 2.19 -0.21 -0.68 1.43 -0.82 -2.26 118.68 120.61 2dj1 s LEU 39 Ca 0.44 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2dj1 s LEU 39 Cb -0.17 -1.46 0.04 0.00 0.03 0.00 0.00 46.19 44.64 2dj1 s LEU 39 CO 0.14 0.12 -0.12 -0.70 0.23 0.00 0.00 176.35 176.02 2dj1 s GLU 40 N 0.61 2.19 0.03 1.70 2.12 -0.99 -0.60 118.70 123.76 2dj1 s GLU 40 Ca -0.11 -0.94 -0.22 0.00 0.36 0.00 0.00 54.97 54.05 2dj1 s GLU 40 Cb -0.16 -2.53 -0.06 0.00 0.26 0.00 0.00 34.13 31.64 2dj1 s GLU 40 CO 0.03 -0.43 0.66 -0.06 -0.54 0.00 0.00 175.26 174.92 2dj1 s PHE 41 N 1.33 3.73 0.21 5.30 0.40 0.50 -1.12 117.98 128.33 2dj1 s PHE 41 Ca -0.02 1.33 -0.01 0.00 -0.60 0.00 0.00 56.93 57.63 2dj1 s PHE 41 Cb -0.17 -2.67 -0.04 0.00 0.51 0.00 0.00 43.02 40.65 2dj1 s PHE 41 CO -0.08 0.37 0.16 1.52 0.70 0.00 0.00 175.22 177.88 2dj1 s TYR 42 N -0.34 1.18 -0.01 0.36 -0.85 -1.01 -2.50 117.35 114.18 2dj1 s TYR 42 Ca 0.33 -1.38 0.01 0.00 -0.52 0.00 0.00 57.07 55.52 2dj1 s TYR 42 Cb -0.19 -0.54 -0.00 0.00 0.38 0.00 0.00 41.96 41.60 2dj1 s TYR 42 CO 0.20 -0.67 -0.04 0.00 -1.52 0.00 0.00 175.55 173.51 2dj1 s ALA 43 N -4.09 0.40 0.29 9.51 0.00 -1.26 -3.61 121.76 123.00 2dj1 s ALA 43 Ca 0.39 -0.17 0.15 0.00 0.00 0.00 0.00 51.96 52.32 2dj1 s ALA 43 Cb 0.06 -0.13 0.68 0.00 0.00 0.00 0.00 23.12 23.74 2dj1 s ALA 43 CO 0.13 0.08 1.77 -1.00 0.00 0.00 0.00 175.76 176.74 2dj1 h PRO 44 N 6.15 0.00 -0.10 0.00 0.13 -2.01 -2.54 132.00 133.63 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 0.41 0.00 -2.67 -0.23 0.00 0.00 178.00 176.01 2dj1 n TRP 45 N -3.82 0.13 -3.46 1.56 4.27 -1.26 -4.71 117.44 110.15 2dj1 n TRP 45 Ca -0.01 -0.07 -0.43 0.00 -3.89 0.00 0.00 57.50 53.10 2dj1 n TRP 45 Cb 0.47 0.00 -0.08 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 8.64 0.73 0.27 0.00 0.00 -1.85 -3.03 103.07 107.83 2dj1 h GLY 47 Ca -0.27 -0.77 0.23 0.00 0.00 0.00 0.00 47.33 46.52 2dj1 h GLY 47 CO 0.83 0.70 0.61 0.45 0.00 0.00 0.00 176.54 179.13 2dj1 h HIS 48 N 0.54 0.28 -0.33 5.60 3.86 -1.96 0.30 115.15 123.44 2dj1 h HIS 48 Ca 0.03 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.19 2dj1 h HIS 48 Cb 0.99 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.36 2dj1 h HIS 48 CO 0.05 0.07 -0.04 0.00 0.86 0.00 0.00 177.93 178.86 2dj1 h LYS 50 N 0.50 0.42 0.00 0.00 1.57 -0.51 0.75 116.57 119.30 2dj1 h LYS 50 Ca 0.10 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 2dj1 h LYS 50 Cb 0.39 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2dj1 h LYS 50 CO 0.02 0.28 -0.41 1.96 -0.57 0.00 0.00 179.45 180.73 2dj1 h GLN 51 N 0.43 0.00 0.00 3.15 1.08 -1.56 -2.99 115.11 115.22 2dj1 h GLN 51 Ca 0.56 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.53 2dj1 h GLN 51 Cb 1.36 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.75 2dj1 h GLN 51 CO -0.27 0.41 -1.45 0.35 -0.95 0.00 0.00 178.83 176.91 2dj1 h PHE 52 N 0.00 0.00 -0.68 2.96 3.57 0.16 -3.38 116.94 119.57 2dj1 h PHE 52 Ca -0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 2dj1 h PHE 52 Cb 0.79 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.45 2dj1 h PHE 52 CO 0.00 0.82 -0.40 0.00 -2.23 0.00 0.00 178.31 176.50 2dj1 n ALA 53 N -2.46 -0.43 0.21 2.41 0.00 0.15 0.20 120.51 120.59 2dj1 n ALA 53 Ca -0.11 0.58 0.07 0.00 0.00 0.00 0.00 53.44 53.98 2dj1 n ALA 53 Cb 0.95 -0.10 0.44 0.00 0.00 0.00 0.00 19.45 20.73 2dj1 n ALA 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2dj1 h PRO 54 N 0.00 0.00 -0.12 0.00 0.13 -1.76 -3.11 132.00 127.14 2dj1 h PRO 54 Ca 0.11 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 2dj1 h PRO 54 Cb 0.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.41 2dj1 h PRO 54 CO -0.64 0.30 -0.08 1.49 -0.23 0.00 0.00 178.00 178.85 2dj1 h GLU 55 N 0.00 0.27 0.52 0.86 4.57 0.21 -3.20 114.58 117.81 2dj1 h GLU 55 Ca -0.00 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 2dj1 h GLU 55 Cb 0.72 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 2dj1 h GLU 55 CO 0.04 0.63 -0.37 -0.92 -1.18 0.00 0.00 179.01 177.21 2dj1 h TYR 56 N -0.09 -0.99 -0.93 0.92 3.20 -0.40 -2.75 116.97 115.93 2dj1 h TYR 56 Ca 0.03 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.09 2dj1 h TYR 56 Cb 0.56 0.36 -0.18 0.00 1.54 0.00 0.00 36.73 39.02 2dj1 h TYR 56 CO 0.07 -0.55 -0.19 0.39 -1.64 0.00 0.00 178.16 176.24 2dj1 n GLU 57 N -5.50 -0.08 -0.10 1.82 1.02 -1.18 0.73 120.64 117.35 2dj1 n GLU 57 Ca -0.12 1.44 -0.05 0.00 -0.02 0.00 0.00 57.16 58.41 2dj1 n GLU 57 Cb 0.39 -2.17 0.01 0.00 -0.02 0.00 0.00 31.44 29.65 2dj1 n GLU 57 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2dj1 h LYS 58 N 0.00 0.02 -0.54 3.49 1.57 -1.48 -1.83 116.57 117.80 2dj1 h LYS 58 Ca 0.46 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.30 2dj1 h LYS 58 Cb 0.75 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.01 2dj1 h LYS 58 CO -0.94 0.01 0.27 0.82 -0.57 0.00 0.00 179.45 179.04 2dj1 h ILE 59 N 0.02 0.93 -0.67 1.86 2.04 0.42 -2.73 117.51 119.38 2dj1 h ILE 59 Ca 0.17 -0.17 0.09 0.00 1.00 0.00 0.00 64.86 65.95 2dj1 h ILE 59 Cb 0.26 0.38 -0.11 0.00 -0.74 0.00 0.00 36.82 36.61 2dj1 h ILE 59 CO -0.36 0.09 -0.46 0.00 0.00 0.00 0.00 178.15 177.42 2dj1 h ALA 60 N 1.30 -0.35 -0.52 1.87 0.00 -0.42 0.51 119.26 121.66 2dj1 h ALA 60 Ca 0.24 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.33 2dj1 h ALA 60 Cb 0.17 1.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 2dj1 h ALA 60 CO -0.18 -0.85 0.23 1.03 0.00 0.00 0.00 179.25 179.48 2dj1 h SER 61 N -0.19 0.29 -0.11 0.00 0.87 -1.36 0.70 113.55 113.76 2dj1 h SER 61 Ca 0.19 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.81 2dj1 h SER 61 Cb 0.55 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.47 2dj1 h SER 61 CO -0.75 0.20 -0.31 0.74 -0.53 0.00 0.00 176.83 176.18 2dj1 h THR 62 N 0.44 0.00 0.00 2.23 2.02 -0.64 0.72 112.91 117.68 2dj1 h THR 62 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.42 2dj1 h THR 62 Cb 0.20 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 2dj1 h THR 62 CO -0.20 0.00 0.00 -0.07 0.37 0.00 0.00 175.52 175.62 2dj1 h LEU 63 N -0.31 0.00 0.06 2.58 3.38 -1.21 -2.95 115.31 116.87 2dj1 h LEU 63 Ca 0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2dj1 h LEU 63 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2dj1 h LEU 63 CO -0.27 0.00 -0.16 0.50 0.09 0.00 0.00 178.44 178.60 2dj1 h LYS 64 N 0.00 -0.28 -0.93 1.13 3.64 0.16 -2.27 116.57 118.01 2dj1 h LYS 64 Ca 0.00 0.02 -0.40 0.00 -1.27 0.00 0.00 60.65 59.00 2dj1 h LYS 64 Cb 0.25 0.06 -0.24 0.00 -0.41 0.00 0.00 32.23 31.90 2dj1 h LYS 64 CO 0.00 -0.19 0.51 -3.47 -2.27 0.00 0.00 179.45 174.03 2dj1 n ASP 65 N -5.29 4.04 -4.98 4.20 2.03 -0.98 -4.56 116.55 111.01 2dj1 n ASP 65 Ca -0.06 -3.40 -0.20 0.00 0.52 0.00 0.00 54.79 51.65 2dj1 n ASP 65 Cb 0.20 -0.79 0.03 0.00 -0.72 0.00 0.00 41.12 39.84 2dj1 n ASP 65 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2dj1 s ASN 66 N -1.09 5.35 -0.11 1.67 2.47 -0.87 -5.03 114.94 117.34 2dj1 s ASN 66 Ca 0.53 -0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.74 2dj1 s ASN 66 Cb 0.44 -0.85 0.02 0.00 -1.45 0.00 0.00 41.25 39.41 2dj1 s ASN 66 CO 0.11 -1.07 -0.10 -0.62 -3.72 0.00 0.00 177.10 171.70 2dj1 s ASP 67 N -4.41 2.16 0.96 -4.21 -1.08 -1.26 -2.36 116.67 106.48 2dj1 s ASP 67 Ca 0.57 -0.33 -0.12 0.00 -0.52 0.00 0.00 52.55 52.15 2dj1 s ASP 67 Cb -0.10 -0.89 0.17 0.00 -1.46 0.00 0.00 42.92 40.64 2dj1 s ASP 67 CO 0.37 -0.07 1.09 -2.16 0.52 0.00 0.00 175.17 174.92 2dj1 s PRO 68 N 1.43 0.72 -0.30 4.34 0.04 -1.26 -5.05 135.00 134.92 2dj1 s PRO 68 Ca 0.00 0.63 -0.29 0.00 0.04 0.00 0.00 61.00 61.38 2dj1 s PRO 68 Cb -0.13 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 2dj1 s PRO 68 CO -0.06 -2.56 1.67 -1.25 0.04 0.00 0.00 177.00 174.84 2dj1 s PRO 69 N -4.95 3.56 -0.03 0.56 0.04 -0.99 -5.00 135.00 128.18 2dj1 s PRO 69 Ca 0.65 1.45 0.01 0.00 0.04 0.00 0.00 61.00 63.15 2dj1 s PRO 69 Cb -0.18 -4.11 -0.03 0.00 0.04 0.00 0.00 34.50 30.22 2dj1 s PRO 69 CO 0.57 -1.59 -0.02 0.42 0.04 0.00 0.00 177.00 176.43 2dj1 s ILE 70 N 5.99 4.05 -0.28 0.56 1.01 -1.15 -5.05 121.20 126.32 2dj1 s ILE 70 Ca 0.74 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.80 2dj1 s ILE 70 Cb -0.22 -2.75 -0.00 0.00 0.01 0.00 0.00 42.46 39.50 2dj1 s ILE 70 CO 0.32 0.47 0.08 0.00 0.00 0.00 0.00 174.94 175.81 2dj1 s ALA 71 N -0.98 3.11 0.07 9.38 0.00 -1.26 -3.91 121.76 128.17 2dj1 s ALA 71 Ca 0.16 -1.35 -0.25 0.00 0.00 0.00 0.00 51.96 50.53 2dj1 s ALA 71 Cb -0.11 -2.14 -0.06 0.00 0.00 0.00 0.00 23.12 20.81 2dj1 s ALA 71 CO 0.06 -0.79 0.75 0.08 0.00 0.00 0.00 175.76 175.87 2dj1 s VAL 72 N 1.54 4.67 0.05 0.00 1.01 -1.26 -3.53 120.40 122.89 2dj1 s VAL 72 Ca 0.04 1.61 -0.04 0.00 0.00 0.00 0.00 61.98 63.59 2dj1 s VAL 72 Cb -0.16 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 2dj1 s VAL 72 CO 0.03 0.41 0.05 0.00 0.00 0.00 0.00 175.10 175.59 2dj1 s ALA 73 N -0.32 0.17 0.07 5.51 0.00 -0.96 -1.98 121.76 124.25 2dj1 s ALA 73 Ca 0.37 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.54 2dj1 s ALA 73 Cb -0.21 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 2dj1 s ALA 73 CO 0.23 -0.37 -0.19 -1.59 0.00 0.00 0.00 175.76 173.83 2dj1 s LYS 74 N -3.41 1.15 -0.01 0.00 -2.85 -0.76 -2.35 119.74 111.52 2dj1 s LYS 74 Ca 0.02 -1.03 0.02 0.00 -1.00 0.00 0.00 55.97 53.98 2dj1 s LYS 74 Cb 0.04 -1.32 0.00 0.00 -2.06 0.00 0.00 37.83 34.49 2dj1 s LYS 74 CO -0.08 0.32 -0.05 0.42 0.10 0.00 0.00 175.35 176.06 2dj1 s ILE 75 N -1.02 0.45 -1.18 3.79 1.01 -0.27 -2.24 121.20 121.73 2dj1 s ILE 75 Ca 0.05 -0.19 -0.15 0.00 0.00 0.00 0.00 60.65 60.36 2dj1 s ILE 75 Cb -0.09 -0.42 0.15 0.00 0.01 0.00 0.00 42.46 42.10 2dj1 s ILE 75 CO 0.03 0.15 1.45 1.51 0.00 0.00 0.00 174.94 178.08 2dj1 s ASP 76 N 0.19 6.96 0.23 3.58 1.47 -1.26 -2.40 116.67 125.43 2dj1 s ASP 76 Ca -0.02 -2.74 -0.10 0.00 1.18 0.00 0.00 52.55 50.87 2dj1 s ASP 76 Cb -0.06 -2.44 0.33 0.00 -0.34 0.00 0.00 42.92 40.41 2dj1 s ASP 76 CO -0.00 -0.88 1.34 0.00 0.68 0.00 0.00 175.17 176.31 2dj1 n ALA 77 N 6.32 0.09 -0.33 2.11 0.00 -1.24 0.11 120.51 127.57 2dj1 n ALA 77 Ca 0.37 0.92 0.22 0.00 0.00 0.00 0.00 53.44 54.95 2dj1 n ALA 77 Cb 0.44 -0.50 0.42 0.00 0.00 0.00 0.00 19.45 19.81 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 0.08 0.17 0.00 1.35 -1.90 0.48 112.91 113.09 2dj1 h THR 78 Ca 0.37 -0.02 -0.31 0.00 -0.55 0.00 0.00 66.41 65.91 2dj1 h THR 78 Cb 0.59 0.01 0.01 0.00 -1.73 0.00 0.00 68.15 67.03 2dj1 h THR 78 CO -0.88 0.01 -1.41 0.28 -0.25 0.00 0.00 175.52 173.27 2dj1 h SER 79 N 0.07 0.55 -2.95 5.36 0.02 0.40 -3.41 113.55 113.59 2dj1 h SER 79 Ca 0.70 -0.64 -0.72 0.00 -0.84 0.00 0.00 61.79 60.30 2dj1 h SER 79 Cb 1.65 -0.18 -0.20 0.00 0.14 0.00 0.00 62.40 63.81 2dj1 h SER 79 CO -0.79 1.51 0.37 0.00 -1.14 0.00 0.00 176.83 176.78 2dj1 s ALA 80 N -2.63 3.55 -0.05 3.77 0.00 0.17 -4.89 121.76 121.68 2dj1 s ALA 80 Ca -0.07 -2.66 -0.24 0.00 0.00 0.00 0.00 51.96 48.98 2dj1 s ALA 80 Cb 0.06 -3.72 -0.19 0.00 0.00 0.00 0.00 23.12 19.27 2dj1 s ALA 80 CO 0.89 -2.56 1.01 1.03 0.00 0.00 0.00 175.76 176.13 2dj1 h SER 81 N 8.74 -0.08 0.13 0.00 0.87 -1.80 -2.11 113.55 119.30 2dj1 h SER 81 Ca -0.05 -0.51 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 2dj1 h SER 81 Cb 1.05 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 2dj1 h SER 81 CO 1.02 0.52 -0.31 -0.03 -0.53 0.00 0.00 176.83 177.50 2dj1 h MET 82 N -0.74 -0.46 -0.60 2.24 1.85 -1.92 -1.43 114.93 113.87 2dj1 h MET 82 Ca -0.01 0.03 0.11 0.00 -0.61 0.00 0.00 59.70 59.22 2dj1 h MET 82 Cb 0.59 0.11 -0.08 0.00 0.43 0.00 0.00 31.60 32.64 2dj1 h MET 82 CO 0.02 -0.31 0.16 -0.07 -0.40 0.00 0.00 176.91 176.31 2dj1 h LEU 83 N -0.48 0.07 -0.61 3.39 3.38 -1.96 -1.46 115.31 117.64 2dj1 h LEU 83 Ca -0.01 0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.18 2dj1 h LEU 83 Cb 0.46 0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.22 2dj1 h LEU 83 CO -0.14 0.05 -0.13 0.00 0.09 0.00 0.00 178.44 178.31 2dj1 h ALA 84 N 1.46 0.44 -0.42 1.53 0.00 -0.97 1.00 119.26 122.29 2dj1 h ALA 84 Ca 0.31 0.23 -0.08 0.00 0.00 0.00 0.00 54.91 55.38 2dj1 h ALA 84 Cb 0.44 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2dj1 h ALA 84 CO -0.37 -0.42 -0.06 1.03 0.00 0.00 0.00 179.25 179.42 2dj1 h SER 85 N 0.02 0.69 -0.27 0.00 0.87 -0.29 0.18 113.55 114.74 2dj1 h SER 85 Ca 0.30 -0.18 0.06 0.00 -1.23 0.00 0.00 61.79 60.74 2dj1 h SER 85 Cb 0.46 -0.18 -0.08 0.00 -0.44 0.00 0.00 62.40 62.16 2dj1 h SER 85 CO -0.62 0.80 -0.40 0.50 -0.53 0.00 0.00 176.83 176.59 2dj1 h LYS 86 N 0.66 -0.37 -0.99 2.24 3.64 0.14 0.63 116.57 122.51 2dj1 h LYS 86 Ca 0.12 0.03 -0.32 0.00 -1.27 0.00 0.00 60.65 59.21 2dj1 h LYS 86 Cb 0.50 0.08 -0.19 0.00 -0.41 0.00 0.00 32.23 32.22 2dj1 h LYS 86 CO 0.03 -0.25 0.40 1.19 -2.27 0.00 0.00 179.45 178.56 2dj1 n PHE 87 N -5.42 1.92 -3.89 1.91 3.01 -1.02 -4.88 117.46 109.09 2dj1 n PHE 87 Ca -0.02 -1.33 -0.27 0.00 1.01 0.00 0.00 57.45 56.84 2dj1 n PHE 87 Cb 0.35 -0.68 -0.07 0.00 -0.01 0.00 0.00 39.48 39.07 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 -0.51 -0.02 -4.58 4.37 2.03 0.21 -4.76 116.55 113.28 2dj1 n ASP 88 Ca 0.37 -0.98 -0.42 0.00 0.52 0.00 0.00 54.79 54.29 2dj1 n ASP 88 Cb 1.23 -1.23 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2dj1 n ASP 88 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2dj1 s VAL 89 N -3.60 3.65 -0.29 5.18 1.01 0.60 -4.84 120.40 122.11 2dj1 s VAL 89 Ca 0.23 0.58 0.13 0.00 0.00 0.00 0.00 61.98 62.92 2dj1 s VAL 89 Cb -0.13 -4.12 0.47 0.00 0.00 0.00 0.00 36.38 32.60 2dj1 s VAL 89 CO 0.78 -0.87 1.14 -1.20 0.00 0.00 0.00 175.10 174.96 2dj1 n SER 90 N 10.22 3.57 0.00 3.32 7.64 -1.26 -4.79 113.62 132.32 2dj1 n SER 90 Ca 0.17 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.95 2dj1 n SER 90 Cb 0.49 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 -0.62 0.13 3.58 0.23 0.00 -1.26 -5.18 105.19 102.07 2dj1 n GLY 91 Ca 0.29 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.63 0.72 1.61 1.51 -1.26 -4.27 117.35 113.03 2dj1 s TYR 92 Ca 0.00 1.31 -0.13 0.00 -1.01 0.00 0.00 57.07 57.24 2dj1 s TYR 92 Cb 0.00 0.37 0.03 0.00 -0.11 0.00 0.00 41.96 42.24 2dj1 s TYR 92 CO 0.00 -0.44 1.10 -1.25 -1.11 0.00 0.00 175.55 173.85 2dj1 s PRO 93 N -0.48 2.52 -0.13 -1.71 0.04 -1.26 -4.99 135.00 128.99 2dj1 s PRO 93 Ca -0.04 1.28 -0.04 0.00 0.04 0.00 0.00 61.00 62.24 2dj1 s PRO 93 Cb -0.02 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.66 2dj1 s PRO 93 CO 0.04 -1.45 0.21 0.99 0.04 0.00 0.00 177.00 176.82 2dj1 s THR 94 N -2.63 -0.33 -0.02 1.26 2.01 -1.04 -5.03 115.64 109.85 2dj1 s THR 94 Ca 0.64 0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.85 2dj1 s THR 94 Cb -0.19 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 2dj1 s THR 94 CO 0.49 0.05 0.05 -0.63 -0.69 0.00 0.00 174.62 173.89 2dj1 s ILE 95 N 2.35 4.57 0.21 1.82 1.01 -1.26 -0.37 121.20 129.53 2dj1 s ILE 95 Ca 0.03 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.22 2dj1 s ILE 95 Cb -0.13 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 2dj1 s ILE 95 CO -0.08 0.40 0.27 -0.54 0.00 0.00 0.00 174.94 174.99 2dj1 s LYS 96 N -1.55 1.31 -0.04 2.79 -0.14 0.23 -3.74 119.74 118.59 2dj1 s LYS 96 Ca 0.20 -1.43 0.03 0.00 -1.36 0.00 0.00 55.97 53.41 2dj1 s LYS 96 Cb -0.12 0.35 0.01 0.00 -1.68 0.00 0.00 37.83 36.39 2dj1 s LYS 96 CO 0.11 -0.48 -0.11 0.42 -0.76 0.00 0.00 175.35 174.53 2dj1 s ILE 97 N -4.08 0.96 -0.44 2.17 1.01 -1.06 -1.94 121.20 117.82 2dj1 s ILE 97 Ca 0.30 -0.43 -0.13 0.00 0.00 0.00 0.00 60.65 60.39 2dj1 s ILE 97 Cb 0.04 -0.87 0.06 0.00 0.01 0.00 0.00 42.46 41.70 2dj1 s ILE 97 CO 0.09 0.30 0.32 -0.22 0.00 0.00 0.00 174.94 175.44 2dj1 s LEU 98 N 0.39 5.32 -0.31 2.97 2.96 -0.11 -1.02 118.68 128.87 2dj1 s LEU 98 Ca -0.08 -1.31 -0.08 0.00 -0.22 0.00 0.00 54.13 52.45 2dj1 s LEU 98 Cb -0.12 -2.10 0.01 0.00 0.50 0.00 0.00 46.19 44.48 2dj1 s LEU 98 CO 0.02 -0.56 0.12 -0.75 -1.32 0.00 0.00 176.35 173.85 2dj1 s LYS 99 N 1.57 3.07 -1.04 1.98 2.47 -0.02 -1.58 119.74 126.18 2dj1 s LYS 99 Ca 0.03 -0.89 0.00 0.00 -1.56 0.00 0.00 55.97 53.56 2dj1 s LYS 99 Cb -0.23 -3.48 0.00 0.00 -1.46 0.00 0.00 37.83 32.66 2dj1 s LYS 99 CO 0.05 -0.50 0.00 1.63 0.16 0.00 0.00 175.35 176.70 2dj1 n LYS 100 N 4.91 -1.77 -0.29 4.03 5.02 0.34 0.74 118.16 131.14 2dj1 n LYS 100 Ca -0.14 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 2dj1 n LYS 100 Cb 0.48 -4.98 0.00 0.00 -0.02 0.00 0.00 35.03 30.51 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 -0.48 0.83 3.49 0.72 0.00 -1.26 -5.08 105.19 103.40 2dj1 n GLY 101 Ca -0.12 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 2dj1 n GLY 101 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dj1 s GLN 102 N -0.59 2.71 -0.25 1.61 -2.07 0.23 -5.10 119.66 116.19 2dj1 s GLN 102 Ca 0.00 -0.65 -0.23 0.00 -1.82 0.00 0.00 55.36 52.66 2dj1 s GLN 102 Cb 0.00 -2.48 -0.01 0.00 -1.09 0.00 0.00 33.01 29.43 2dj1 s GLN 102 CO 0.00 0.57 0.76 0.00 -1.32 0.00 0.00 175.29 175.30 2dj1 s ALA 103 N -0.58 3.63 -0.27 2.60 0.00 -1.26 -0.84 121.76 125.03 2dj1 s ALA 103 Ca 0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 2dj1 s ALA 103 Cb -0.11 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.82 2dj1 s ALA 103 CO 0.01 -0.91 -0.00 0.08 0.00 0.00 0.00 175.76 174.94 2dj1 s VAL 104 N 2.74 3.34 -0.11 0.00 1.01 -0.19 -4.99 120.40 122.20 2dj1 s VAL 104 Ca 0.32 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 2dj1 s VAL 104 Cb -0.15 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2dj1 s VAL 104 CO 0.08 0.16 1.75 -1.81 0.00 0.00 0.00 175.10 175.29 2dj1 s ASP 105 N 1.40 6.41 -0.30 3.32 1.01 -1.26 -2.56 116.67 124.69 2dj1 s ASP 105 Ca 0.01 2.07 -0.24 0.00 0.71 0.00 0.00 52.55 55.11 2dj1 s ASP 105 Cb -0.17 -2.53 -0.00 0.00 1.01 0.00 0.00 42.92 41.23 2dj1 s ASP 105 CO -0.02 -1.17 0.79 -0.47 0.21 0.00 0.00 175.17 174.52 2dj1 s TYR 106 N 4.95 3.21 -0.71 4.23 5.04 -1.25 -5.00 117.35 127.82 2dj1 s TYR 106 Ca 0.78 0.85 -0.04 0.00 -2.44 0.00 0.00 57.07 56.22 2dj1 s TYR 106 Cb -0.32 -3.20 0.18 0.00 0.35 0.00 0.00 41.96 38.97 2dj1 s TYR 106 CO 0.32 -0.55 0.56 -0.51 -1.34 0.00 0.00 175.55 174.04 2dj1 s ASP 107 N 1.59 5.61 0.00 4.32 1.01 -1.26 -4.87 116.67 123.07 2dj1 s ASP 107 Ca 0.33 -3.02 0.00 0.00 0.71 0.00 0.00 52.55 50.56 2dj1 s ASP 107 Cb -0.14 -1.92 0.00 0.00 1.01 0.00 0.00 42.92 41.87 2dj1 s ASP 107 CO 0.12 -0.36 0.00 0.61 0.21 0.00 0.00 175.17 175.75 2dj1 n GLY 108 N 3.30 4.71 1.16 0.21 0.00 -1.26 -5.04 105.19 108.27 2dj1 n GLY 108 Ca 0.12 -1.60 0.11 0.00 0.00 0.00 0.00 46.02 44.64 2dj1 n GLY 108 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dj1 n SER 109 N -1.46 3.62 -2.90 1.61 2.88 -1.26 -4.97 113.62 111.14 2dj1 n SER 109 Ca 0.00 -1.98 -0.13 0.00 -1.33 0.00 0.00 58.87 55.43 2dj1 n SER 109 Cb 0.00 -0.38 0.07 0.00 -0.75 0.00 0.00 64.21 63.14 2dj1 n SER 109 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2dj1 n ARG 110 N 1.39 -3.94 -4.24 -1.46 0.63 -1.26 -5.04 116.66 102.74 2dj1 n ARG 110 Ca 0.21 0.68 -0.21 0.00 -0.92 0.00 0.00 57.85 57.60 2dj1 n ARG 110 Cb 0.58 -5.07 -0.12 0.00 0.45 0.00 0.00 32.46 28.29 2dj1 n ARG 110 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2dj1 s THR 111 N -3.29 1.44 0.49 5.15 -4.23 -1.26 -4.98 115.64 108.95 2dj1 s THR 111 Ca 0.14 -1.43 0.23 0.00 -1.18 0.00 0.00 61.69 59.44 2dj1 s THR 111 Cb -0.02 -1.34 0.40 0.00 1.34 0.00 0.00 72.50 72.89 2dj1 s THR 111 CO 0.58 -0.13 1.93 -0.61 -0.54 0.00 0.00 174.62 175.85 2dj1 h GLN 112 N 4.18 0.16 0.48 3.99 4.15 -1.96 0.31 115.11 126.42 2dj1 h GLN 112 Ca -0.44 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 58.95 2dj1 h GLN 112 Cb 1.19 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.84 2dj1 h GLN 112 CO 0.40 0.11 -0.23 0.93 -1.93 0.00 0.00 178.83 178.10 2dj1 h GLU 113 N 0.17 -0.62 0.76 1.69 5.08 -1.97 -2.61 114.58 117.06 2dj1 h GLU 113 Ca 0.35 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.71 2dj1 h GLU 113 Cb 1.14 0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.54 2dj1 h GLU 113 CO -0.06 -0.41 -0.36 0.93 -1.00 0.00 0.00 179.01 178.11 2dj1 h GLU 114 N -1.17 -0.98 -0.93 2.33 5.08 -1.86 0.13 114.58 117.18 2dj1 h GLU 114 Ca -0.07 0.07 0.26 0.00 -1.00 0.00 0.00 59.36 58.62 2dj1 h GLU 114 Cb 0.50 0.22 -0.17 0.00 0.50 0.00 0.00 28.75 29.81 2dj1 h GLU 114 CO 0.11 -0.65 0.09 0.82 -1.00 0.00 0.00 179.01 178.38 2dj1 h ILE 115 N -1.11 0.13 0.00 3.13 2.04 -0.57 1.26 117.51 122.40 2dj1 h ILE 115 Ca -0.10 -0.02 -0.12 0.00 1.00 0.00 0.00 64.86 65.61 2dj1 h ILE 115 Cb 0.78 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2dj1 h ILE 115 CO 0.17 0.01 -0.58 0.58 0.00 0.00 0.00 178.15 178.33 2dj1 h VAL 116 N 0.07 1.30 -0.13 1.67 2.07 -1.37 -2.56 116.25 117.29 2dj1 h VAL 116 Ca 0.57 -2.07 -0.04 0.00 0.82 0.00 0.00 66.70 65.98 2dj1 h VAL 116 Cb 1.18 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 2dj1 h VAL 116 CO -0.82 0.57 -0.08 0.00 0.02 0.00 0.00 177.57 177.26 2dj1 h ALA 117 N 1.42 0.19 0.59 1.67 0.00 0.43 -2.71 119.26 120.85 2dj1 h ALA 117 Ca -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2dj1 h ALA 117 Cb 1.11 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.86 2dj1 h ALA 117 CO 0.08 -0.00 -0.28 -0.22 0.00 0.00 0.00 179.25 178.82 2dj1 h LYS 118 N -0.07 -0.77 -0.76 0.00 1.63 -0.78 -0.49 116.57 115.34 2dj1 h LYS 118 Ca 0.03 0.05 0.07 0.00 -0.85 0.00 0.00 60.65 59.95 2dj1 h LYS 118 Cb 0.56 0.17 -0.10 0.00 -0.60 0.00 0.00 32.23 32.26 2dj1 h LYS 118 CO 0.02 -0.51 -0.52 0.28 -3.45 0.00 0.00 179.45 175.28 2dj1 h VAL 119 N -1.04 0.00 -0.43 2.00 2.07 -1.58 0.66 116.25 117.93 2dj1 h VAL 119 Ca -0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.46 2dj1 h VAL 119 Cb 0.61 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2dj1 h VAL 119 CO 0.13 0.00 0.28 0.08 0.02 0.00 0.00 177.57 178.09 2dj1 h ARG 120 N -0.08 0.50 -0.46 1.57 0.11 -1.57 -0.63 114.38 113.82 2dj1 h ARG 120 Ca 0.12 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 60.07 2dj1 h ARG 120 Cb 0.40 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.35 2dj1 h ARG 120 CO -0.76 0.33 -0.12 1.49 0.10 0.00 0.00 179.97 181.01 2dj1 h GLU 121 N 0.51 0.83 -0.11 0.08 4.81 0.18 -3.05 114.58 117.83 2dj1 h GLU 121 Ca 0.17 -0.29 -0.23 0.00 -0.13 0.00 0.00 59.36 58.87 2dj1 h GLU 121 Cb 0.04 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.36 2dj1 h GLU 121 CO -0.04 0.91 -0.85 0.28 -0.73 0.00 0.00 179.01 178.58 2dj1 h VAL 122 N 0.75 1.28 -0.83 0.32 2.07 0.93 -3.18 116.25 117.60 2dj1 h VAL 122 Ca 0.12 -2.06 0.19 0.00 0.82 0.00 0.00 66.70 65.78 2dj1 h VAL 122 Cb 0.62 2.10 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 2dj1 h VAL 122 CO 0.04 0.65 0.56 0.77 0.02 0.00 0.00 177.57 179.61 2dj1 h SER 123 N 0.49 0.32 -2.82 0.57 4.64 -1.05 -3.43 113.55 112.26 2dj1 h SER 123 Ca -0.07 0.03 -0.59 0.00 -0.47 0.00 0.00 61.79 60.68 2dj1 h SER 123 Cb 1.49 -0.03 0.12 0.00 -0.31 0.00 0.00 62.40 63.66 2dj1 h SER 123 CO 0.17 0.14 0.17 0.00 -0.87 0.00 0.00 176.83 176.44 2dj1 n GLN 124 N -4.46 1.41 0.21 4.77 1.13 -1.17 -4.88 117.38 114.40 2dj1 n GLN 124 Ca 0.17 0.50 0.08 0.00 -1.94 0.00 0.00 57.00 55.81 2dj1 n GLN 124 Cb 0.68 -1.97 0.46 0.00 0.11 0.00 0.00 30.24 29.51 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 1.81 0.00 0.20 -1.09 0.13 -1.90 -3.08 132.00 128.07 2dj1 h PRO 125 Ca -0.42 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.39 2dj1 h PRO 125 Cb 1.33 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.49 2dj1 h PRO 125 CO 0.59 0.28 -1.38 -0.44 -0.23 0.00 0.00 178.00 176.81 2dj1 h ASP 126 N 0.00 0.73 -2.74 1.44 3.32 -1.92 -3.46 116.42 113.79 2dj1 h ASP 126 Ca -0.00 -0.77 -0.54 0.00 0.02 0.00 0.00 57.03 55.74 2dj1 h ASP 126 Cb 0.70 -0.24 0.23 0.00 0.22 0.00 0.00 39.33 40.24 2dj1 h ASP 126 CO 0.04 1.60 -1.18 1.87 -1.72 0.00 0.00 179.24 179.85 2dj1 n TRP 127 N -3.68 -3.22 -3.72 4.55 -0.00 -1.16 -5.02 117.44 105.19 2dj1 n TRP 127 Ca -0.14 0.11 -0.14 0.00 -0.00 0.00 0.00 57.50 57.33 2dj1 n TRP 127 Cb 1.07 -1.62 -0.09 0.00 -0.00 0.00 0.00 31.31 30.67 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 -2.20 0.03 -0.04 5.87 -4.23 -1.26 -5.00 115.64 108.81 2dj1 s THR 128 Ca 0.49 -0.29 -0.30 0.00 -1.18 0.00 0.00 61.69 60.42 2dj1 s THR 128 Cb -0.20 -0.66 -0.05 0.00 1.34 0.00 0.00 72.50 72.93 2dj1 s THR 128 CO 0.74 -0.16 1.48 -2.16 -0.54 0.00 0.00 174.62 173.99 2dj1 s PRO 129 N -0.91 4.23 0.72 3.99 0.04 -1.26 -5.01 135.00 136.80 2dj1 s PRO 129 Ca -0.10 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 62.83 2dj1 s PRO 129 Cb -0.04 -3.75 0.03 0.00 0.04 0.00 0.00 34.50 30.78 2dj1 s PRO 129 CO 0.04 -0.70 1.10 -1.25 0.04 0.00 0.00 177.00 176.23 2dj1 s PRO 130 N 3.16 2.52 -0.52 0.56 0.04 -1.26 -4.93 135.00 134.56 2dj1 s PRO 130 Ca 0.66 1.28 -0.27 0.00 0.04 0.00 0.00 61.00 62.71 2dj1 s PRO 130 Cb -0.31 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2dj1 s PRO 130 CO 0.26 -1.45 1.81 -1.25 0.04 0.00 0.00 177.00 176.41 2dj1 s PRO 131 N -4.50 2.88 -0.78 0.56 0.04 -1.26 -4.94 135.00 126.99 2dj1 s PRO 131 Ca 0.64 0.85 -0.23 0.00 0.04 0.00 0.00 61.00 62.30 2dj1 s PRO 131 Cb -0.19 -4.31 0.07 0.00 0.04 0.00 0.00 34.50 30.11 2dj1 s PRO 131 CO 0.49 -2.42 1.13 -1.21 0.04 0.00 0.00 177.00 175.02 2dj1 s GLU 132 N 6.53 3.30 -0.25 4.56 2.02 -1.26 -5.00 118.70 128.60 2dj1 s GLU 132 Ca 0.70 -0.97 -0.09 0.00 0.02 0.00 0.00 54.97 54.63 2dj1 s GLU 132 Cb -0.15 -4.53 -0.04 0.00 0.10 0.00 0.00 34.13 29.51 2dj1 s GLU 132 CO 0.25 -1.92 0.12 0.08 0.02 0.00 0.00 175.26 173.81 2dj1 s VAL 133 N 4.19 4.85 0.01 2.63 1.01 -1.26 -5.09 120.40 126.75 2dj1 s VAL 133 Ca 0.30 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.37 2dj1 s VAL 133 Cb -0.10 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 2dj1 s VAL 133 CO 0.04 0.32 -0.24 0.28 0.00 0.00 0.00 175.10 175.51 2dj1 s THR 134 N 1.43 1.88 -0.08 3.92 -1.32 -1.26 -5.12 115.64 115.09 2dj1 s THR 134 Ca 0.06 -1.14 -0.21 0.00 -1.21 0.00 0.00 61.69 59.19 2dj1 s THR 134 Cb -0.15 -1.59 -0.04 0.00 -1.51 0.00 0.00 72.50 69.21 2dj1 s THR 134 CO 0.06 0.41 0.61 -0.55 -2.21 0.00 0.00 174.62 172.94 2dj1 s SER 135 N -0.86 6.88 -0.42 8.08 0.15 -1.26 -4.53 113.70 121.75 2dj1 s SER 135 Ca 0.09 1.06 -0.20 0.00 0.70 0.00 0.00 55.95 57.61 2dj1 s SER 135 Cb -0.09 -2.36 0.03 0.00 -1.71 0.00 0.00 66.02 61.88 2dj1 s SER 135 CO 0.00 -0.05 0.56 0.61 1.20 0.00 0.00 173.24 175.56 2dj1 n GLY 136 N 3.08 -1.19 3.67 9.45 0.00 -1.26 -4.98 105.19 113.96 2dj1 n GLY 136 Ca -0.04 1.16 -0.28 0.00 0.00 0.00 0.00 46.02 46.85 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 -2.46 0.30 -0.14 1.61 0.04 -1.26 -5.06 135.00 128.03 2dj1 s PRO 137 Ca 0.26 0.48 0.01 0.00 0.04 0.00 0.00 61.00 61.79 2dj1 s PRO 137 Cb -0.06 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.78 2dj1 s PRO 137 CO 0.78 -2.81 -0.16 0.45 0.04 0.00 0.00 177.00 175.29 2dj1 s SER 138 N -3.45 2.69 0.45 6.66 0.15 -1.26 -5.13 113.70 113.81 2dj1 s SER 138 Ca 0.66 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.82 2dj1 s SER 138 Cb -0.19 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 2dj1 s SER 138 CO 0.58 -0.01 0.66 -0.44 1.20 0.00 0.00 173.24 175.23 2dj1 s SER 139 N 1.19 5.77 0.00 5.45 0.01 -1.26 -5.17 113.70 119.68 2dj1 s SER 139 Ca -0.01 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.42 2dj1 s SER 139 Cb -0.14 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.71 2dj1 s SER 139 CO -0.06 -0.73 0.40 0.61 0.41 0.00 0.00 173.24 173.87