#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj1 s SER 2 N 0.00 1.82 -0.04 1.61 1.04 -1.26 -5.08 113.70 111.79 2dj1 s SER 2 Ca 0.00 -1.00 -0.20 0.00 0.48 0.00 0.00 55.95 55.23 2dj1 s SER 2 Cb 0.00 -0.02 -0.14 0.00 0.10 0.00 0.00 66.02 65.96 2dj1 s SER 2 CO 0.00 -0.32 0.87 0.28 0.98 0.00 0.00 173.24 175.05 2dj1 h SER 3 N 2.82 -0.27 0.00 7.02 0.02 -2.14 -3.48 113.55 117.53 2dj1 h SER 3 Ca -0.37 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2dj1 h SER 3 Cb 1.19 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2dj1 h SER 3 CO 0.63 0.23 0.00 0.61 -1.14 0.00 0.00 176.83 177.15 2dj1 n GLY 4 N 0.42 1.68 3.58 -3.77 0.00 -1.26 -5.18 105.19 100.66 2dj1 n GLY 4 Ca -0.08 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 2dj1 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dj1 s SER 5 N 1.00 -0.30 -0.27 1.61 1.04 -1.26 -5.13 113.70 110.39 2dj1 s SER 5 Ca 0.00 0.26 -0.22 0.00 0.48 0.00 0.00 55.95 56.46 2dj1 s SER 5 Cb 0.00 0.26 0.08 0.00 0.10 0.00 0.00 66.02 66.45 2dj1 s SER 5 CO 0.00 -0.32 0.73 -0.44 0.98 0.00 0.00 173.24 174.18 2dj1 s SER 6 N -1.39 -0.79 -0.14 7.02 0.01 -1.26 -5.16 113.70 112.00 2dj1 s SER 6 Ca 0.02 1.44 0.01 0.00 1.31 0.00 0.00 55.95 58.72 2dj1 s SER 6 Cb -0.01 1.42 -0.00 0.00 0.21 0.00 0.00 66.02 67.64 2dj1 s SER 6 CO -0.02 -0.24 -0.16 -0.83 0.41 0.00 0.00 173.24 172.40 2dj1 s GLY 7 N 0.73 1.47 -0.32 3.44 0.00 -1.26 -5.00 107.32 106.38 2dj1 s GLY 7 Ca -0.03 -1.00 0.15 0.00 0.00 0.00 0.00 44.72 43.84 2dj1 s GLY 7 CO -0.05 -0.06 1.08 1.34 0.00 0.00 0.00 173.10 175.41 2dj1 n ASP 8 N 3.88 2.82 -1.97 1.64 2.03 -1.26 -4.90 116.55 118.79 2dj1 n ASP 8 Ca -0.19 -2.89 -0.16 0.00 0.52 0.00 0.00 54.79 52.07 2dj1 n ASP 8 Cb 0.52 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 2dj1 n ASP 8 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2dj1 n ASP 9 N -0.45 6.27 0.02 1.67 8.00 -1.26 -4.24 116.55 126.55 2dj1 n ASP 9 Ca 0.21 -2.98 0.00 0.00 0.71 0.00 0.00 54.79 52.73 2dj1 n ASP 9 Cb 0.82 -1.12 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 2dj1 n ASP 9 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2dj1 n ASP 10 N 0.72 0.03 -4.57 -2.24 2.03 -1.26 -4.98 116.55 106.29 2dj1 n ASP 10 Ca 0.31 0.06 -0.16 0.00 0.52 0.00 0.00 54.79 55.52 2dj1 n ASP 10 Cb 0.58 0.03 -0.08 0.00 -0.72 0.00 0.00 41.12 40.93 2dj1 n ASP 10 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2dj1 s LEU 11 N -5.29 2.74 0.19 -2.67 1.43 -1.26 -4.85 118.68 108.97 2dj1 s LEU 11 Ca 0.00 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 2dj1 s LEU 11 Cb 0.00 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.61 2dj1 s LEU 11 CO 0.00 -4.01 0.04 -1.83 0.23 0.00 0.00 176.35 170.77 2dj1 s GLU 12 N 8.46 1.17 -0.04 1.70 -1.05 -1.26 -5.12 118.70 122.56 2dj1 s GLU 12 Ca 0.86 -1.59 -0.02 0.00 -0.15 0.00 0.00 54.97 54.07 2dj1 s GLU 12 Cb -0.09 -0.19 0.03 0.00 -0.44 0.00 0.00 34.13 33.44 2dj1 s GLU 12 CO 0.10 -0.20 0.10 0.08 0.95 0.00 0.00 175.26 176.30 2dj1 s VAL 13 N -3.74 -0.04 0.88 1.83 1.01 -1.26 -4.88 120.40 114.20 2dj1 s VAL 13 Ca 0.28 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.31 2dj1 s VAL 13 Cb 0.07 -0.17 0.19 0.00 0.00 0.00 0.00 36.38 36.47 2dj1 s VAL 13 CO 0.07 0.06 1.20 -0.54 0.00 0.00 0.00 175.10 175.88 2dj1 s LYS 14 N 0.82 0.91 -0.06 2.72 -0.14 -1.26 -4.87 119.74 117.87 2dj1 s LYS 14 Ca -0.06 -0.85 -0.22 0.00 -1.36 0.00 0.00 55.97 53.48 2dj1 s LYS 14 Cb -0.09 -2.06 0.05 0.00 -1.68 0.00 0.00 37.83 34.05 2dj1 s LYS 14 CO -0.03 -2.11 0.50 -1.83 -0.76 0.00 0.00 175.35 171.12 2dj1 s GLU 15 N -5.60 0.82 -0.31 1.68 1.03 -1.26 -0.58 118.70 114.48 2dj1 s GLU 15 Ca 0.72 0.15 -0.01 0.00 0.03 0.00 0.00 54.97 55.87 2dj1 s GLU 15 Cb -0.03 0.38 0.10 0.00 -0.80 0.00 0.00 34.13 33.78 2dj1 s GLU 15 CO 0.50 -0.22 0.10 -1.21 -1.33 0.00 0.00 175.26 173.09 2dj1 s GLU 16 N -0.99 0.73 -1.64 -4.83 0.41 0.13 -4.80 118.70 107.71 2dj1 s GLU 16 Ca -0.10 -1.09 0.00 0.00 -0.41 0.00 0.00 54.97 53.37 2dj1 s GLU 16 Cb -0.03 -2.02 0.00 0.00 -1.78 0.00 0.00 34.13 30.30 2dj1 s GLU 16 CO 0.06 -0.98 0.00 0.09 -0.49 0.00 0.00 175.26 173.94 2dj1 n ASN 17 N 4.83 -4.92 0.00 -0.19 3.02 -1.26 -0.77 115.26 115.98 2dj1 n ASN 17 Ca -0.02 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2dj1 n ASN 17 Cb 0.42 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.35 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 -0.68 2.05 3.47 7.41 0.00 -1.26 -4.71 105.19 111.47 2dj1 n GLY 18 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.24 4.45 0.48 1.61 1.01 0.05 -4.54 120.40 121.21 2dj1 s VAL 19 Ca 0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 2dj1 s VAL 19 Cb 0.00 -4.57 -0.07 0.00 0.00 0.00 0.00 36.38 31.74 2dj1 s VAL 19 CO 0.00 -1.24 1.26 0.26 0.00 0.00 0.00 175.10 175.38 2dj1 s TRP 20 N 3.75 2.67 -0.50 5.22 0.52 0.21 0.19 118.94 131.00 2dj1 s TRP 20 Ca 0.23 1.46 -0.15 0.00 0.02 0.00 0.00 56.10 57.66 2dj1 s TRP 20 Cb -0.16 -3.58 0.10 0.00 -1.15 0.00 0.00 33.47 28.68 2dj1 s TRP 20 CO 0.13 -2.08 0.44 0.08 0.02 0.00 0.00 176.95 175.54 2dj1 s VAL 21 N -1.41 5.13 0.38 4.03 1.01 0.25 -0.52 120.40 129.28 2dj1 s VAL 21 Ca 0.65 -1.33 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2dj1 s VAL 21 Cb -0.34 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 31.83 2dj1 s VAL 21 CO 0.42 -0.73 0.57 -0.76 0.00 0.00 0.00 175.10 174.60 2dj1 s LEU 22 N 1.60 3.84 0.10 3.92 1.43 -0.34 -4.01 118.68 125.23 2dj1 s LEU 22 Ca 0.04 0.13 -0.26 0.00 -1.03 0.00 0.00 54.13 53.01 2dj1 s LEU 22 Cb -0.27 -3.02 0.08 0.00 0.03 0.00 0.00 46.19 43.00 2dj1 s LEU 22 CO 0.04 -0.52 0.90 0.54 0.23 0.00 0.00 176.35 177.54 2dj1 s ASN 23 N -4.17 -0.27 0.26 2.29 4.22 -1.26 -4.43 114.94 111.58 2dj1 s ASN 23 Ca 0.45 -0.25 0.14 0.00 -2.14 0.00 0.00 52.86 51.06 2dj1 s ASN 23 Cb -0.10 0.47 0.74 0.00 1.28 0.00 0.00 41.25 43.64 2dj1 s ASN 23 CO 0.35 -0.83 1.34 -0.90 -2.04 0.00 0.00 177.10 175.02 2dj1 n ASP 24 N -0.39 0.35 0.05 3.54 5.68 -1.26 0.23 116.55 124.75 2dj1 n ASP 24 Ca -0.08 0.60 0.08 0.00 -0.50 0.00 0.00 54.79 54.89 2dj1 n ASP 24 Cb 0.61 -0.60 -0.07 0.00 -1.14 0.00 0.00 41.12 39.93 2dj1 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dj1 n GLY 25 N -1.30 -1.28 0.16 6.12 0.00 -1.26 -4.33 105.19 103.30 2dj1 n GLY 25 Ca -0.01 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.61 0.93 0.00 1.61 0.23 0.12 -4.81 115.26 110.72 2dj1 n ASN 26 Ca -0.04 -1.94 0.00 0.00 -0.53 0.00 0.00 54.58 52.07 2dj1 n ASN 26 Cb 0.63 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 2dj1 n ASN 26 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2dj1 n PHE 27 N -0.41 0.00 -0.28 -2.53 7.35 0.61 -1.78 117.46 120.42 2dj1 n PHE 27 Ca 0.03 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.76 2dj1 n PHE 27 Cb 0.53 -0.43 0.18 0.00 0.35 0.00 0.00 39.48 40.11 2dj1 n PHE 27 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2dj1 h ASP 28 N 0.00 0.55 -0.64 -2.13 3.32 -1.85 -1.12 116.42 114.54 2dj1 h ASP 28 Ca 0.00 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.17 2dj1 h ASP 28 Cb 0.00 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 2dj1 h ASP 28 CO 0.00 0.29 0.36 0.78 -1.72 0.00 0.00 179.24 178.95 2dj1 h ASN 29 N 0.67 0.54 0.79 6.45 2.35 -1.88 0.89 115.58 125.39 2dj1 h ASN 29 Ca 0.40 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 56.14 2dj1 h ASN 29 Cb 0.46 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.76 2dj1 h ASN 29 CO -0.29 0.35 -0.38 0.15 -1.65 0.00 0.00 177.43 175.61 2dj1 h PHE 30 N 0.67 -0.99 0.00 1.19 3.57 -0.43 -2.95 116.94 118.01 2dj1 h PHE 30 Ca 0.28 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 2dj1 h PHE 30 Cb 0.16 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 2dj1 h PHE 30 CO -0.08 -0.61 -0.02 -0.39 -2.23 0.00 0.00 178.31 174.98 2dj1 h VAL 31 N -1.27 0.12 -0.97 1.41 -1.51 -1.18 -2.64 116.25 110.21 2dj1 h VAL 31 Ca -0.11 -0.20 0.23 0.00 -1.23 0.00 0.00 66.70 65.39 2dj1 h VAL 31 Cb 0.82 1.17 -0.08 0.00 -2.13 0.00 0.00 31.29 31.07 2dj1 h VAL 31 CO 0.18 0.02 0.63 0.00 -1.23 0.00 0.00 177.57 177.17 2dj1 h ALA 32 N 1.98 2.19 -0.95 5.19 0.00 0.10 -0.98 119.26 126.79 2dj1 h ALA 32 Ca -0.00 0.04 -0.56 0.00 0.00 0.00 0.00 54.91 54.38 2dj1 h ALA 32 Cb 0.17 -0.01 -0.43 0.00 0.00 0.00 0.00 17.79 17.53 2dj1 h ALA 32 CO 0.00 -0.53 -0.78 -0.25 0.00 0.00 0.00 179.25 177.70 2dj1 n ASP 33 N -4.56 4.91 -3.66 0.00 8.00 -0.99 -4.98 116.55 115.25 2dj1 n ASP 33 Ca 0.22 -3.74 -0.07 0.00 0.71 0.00 0.00 54.79 51.91 2dj1 n ASP 33 Cb 0.76 -0.38 -0.08 0.00 -0.02 0.00 0.00 41.12 41.41 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 -3.59 0.49 -0.04 -1.24 1.02 -0.37 -5.06 119.74 110.96 2dj1 s LYS 34 Ca 0.50 1.12 -0.25 0.00 0.02 0.00 0.00 55.97 57.36 2dj1 s LYS 34 Cb 0.41 0.32 -0.19 0.00 -0.52 0.00 0.00 37.83 37.85 2dj1 s LYS 34 CO -0.02 -0.19 1.11 0.38 -0.92 0.00 0.00 175.35 175.71 2dj1 h ASP 35 N 7.59 -0.09 -3.23 2.83 3.04 -1.93 -3.44 116.42 121.19 2dj1 h ASP 35 Ca -0.25 -0.46 -0.66 0.00 -3.24 0.00 0.00 57.03 52.42 2dj1 h ASP 35 Cb 1.15 0.02 -0.31 0.00 -1.04 0.00 0.00 39.33 39.15 2dj1 h ASP 35 CO 0.17 0.45 -0.80 -0.89 -2.04 0.00 0.00 179.24 176.12 2dj1 s THR 36 N -3.89 2.63 -0.08 1.15 2.01 -1.26 -0.28 115.64 115.91 2dj1 s THR 36 Ca -0.15 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.09 2dj1 s THR 36 Cb 0.01 -2.14 0.03 0.00 0.01 0.00 0.00 72.50 70.41 2dj1 s THR 36 CO 0.61 0.50 -0.04 -0.69 -0.69 0.00 0.00 174.62 174.30 2dj1 s VAL 37 N 1.18 0.69 -0.18 3.82 1.01 -0.93 -4.51 120.40 121.46 2dj1 s VAL 37 Ca 0.02 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 2dj1 s VAL 37 Cb -0.14 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 2dj1 s VAL 37 CO -0.06 0.30 1.00 -0.22 0.00 0.00 0.00 175.10 176.12 2dj1 s LEU 38 N 1.69 4.15 -0.09 3.92 2.96 -1.21 -1.80 118.68 128.30 2dj1 s LEU 38 Ca 0.02 1.39 0.03 0.00 -0.22 0.00 0.00 54.13 55.35 2dj1 s LEU 38 Cb -0.13 -3.50 -0.02 0.00 0.50 0.00 0.00 46.19 43.05 2dj1 s LEU 38 CO -0.05 -0.56 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.48 2dj1 s LEU 39 N 2.70 2.53 -0.15 -0.68 1.43 -0.91 -1.93 118.68 121.68 2dj1 s LEU 39 Ca 0.44 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2dj1 s LEU 39 Cb -0.16 -1.53 0.05 0.00 0.03 0.00 0.00 46.19 44.58 2dj1 s LEU 39 CO 0.10 0.23 0.01 -0.70 0.23 0.00 0.00 176.35 176.22 2dj1 s GLU 40 N -0.06 0.80 0.33 1.70 -6.30 -0.80 -0.93 118.70 113.44 2dj1 s GLU 40 Ca -0.04 -0.26 -0.11 0.00 -2.50 0.00 0.00 54.97 52.06 2dj1 s GLU 40 Cb -0.14 -1.70 -0.07 0.00 0.00 0.00 0.00 34.13 32.21 2dj1 s GLU 40 CO 0.04 -0.48 0.69 -0.06 0.02 0.00 0.00 175.26 175.47 2dj1 s PHE 41 N 1.85 3.43 0.39 5.30 0.40 0.38 -1.16 117.98 128.56 2dj1 s PHE 41 Ca 0.01 1.02 -0.10 0.00 -0.60 0.00 0.00 56.93 57.27 2dj1 s PHE 41 Cb -0.15 -2.40 0.04 0.00 0.51 0.00 0.00 43.02 41.02 2dj1 s PHE 41 CO -0.07 0.06 0.69 1.52 0.70 0.00 0.00 175.22 178.11 2dj1 s TYR 42 N -2.12 0.52 -0.05 0.36 -0.85 -1.09 -2.41 117.35 111.70 2dj1 s TYR 42 Ca 0.51 -1.05 -0.05 0.00 -0.52 0.00 0.00 57.07 55.96 2dj1 s TYR 42 Cb -0.10 0.51 0.01 0.00 0.38 0.00 0.00 41.96 42.75 2dj1 s TYR 42 CO 0.25 -1.45 0.15 0.00 -1.52 0.00 0.00 175.55 172.98 2dj1 s ALA 43 N -2.40 -0.37 0.13 9.51 0.00 -1.26 -3.70 121.76 123.67 2dj1 s ALA 43 Ca 0.22 0.39 0.34 0.00 0.00 0.00 0.00 51.96 52.91 2dj1 s ALA 43 Cb -0.03 -0.22 1.42 0.00 0.00 0.00 0.00 23.12 24.28 2dj1 s ALA 43 CO 0.16 -0.08 2.00 -1.00 0.00 0.00 0.00 175.76 176.84 2dj1 h PRO 44 N 5.80 0.00 -0.44 0.00 0.13 -2.01 -2.37 132.00 133.10 2dj1 h PRO 44 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2dj1 h PRO 44 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2dj1 h PRO 44 CO 0.41 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.51 2dj1 n TRP 45 N -3.09 0.58 -4.00 1.56 4.27 -1.26 -4.89 117.44 110.62 2dj1 n TRP 45 Ca 0.00 -0.29 -0.35 0.00 -3.89 0.00 0.00 57.50 52.97 2dj1 n TRP 45 Cb 0.29 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.16 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 6.03 0.17 -1.43 0.00 0.00 -1.90 -3.35 103.07 102.60 2dj1 h GLY 47 Ca -0.44 -0.44 0.50 0.00 0.00 0.00 0.00 47.33 46.95 2dj1 h GLY 47 CO 0.66 0.38 1.20 0.84 0.00 0.00 0.00 176.54 179.62 2dj1 h HIS 48 N -0.58 0.07 -0.20 5.60 6.17 -1.95 0.81 115.15 125.08 2dj1 h HIS 48 Ca -0.26 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 60.77 2dj1 h HIS 48 Cb 1.53 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 31.44 2dj1 h HIS 48 CO 0.15 -0.03 -0.08 0.00 0.71 0.00 0.00 177.93 178.68 2dj1 h LYS 50 N 0.11 0.11 0.04 0.00 1.57 0.50 1.02 116.57 119.93 2dj1 h LYS 50 Ca 0.05 -0.01 -0.28 0.00 -1.87 0.00 0.00 60.65 58.54 2dj1 h LYS 50 Cb 0.55 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 2dj1 h LYS 50 CO 0.03 0.07 -1.49 0.37 -0.57 0.00 0.00 179.45 177.86 2dj1 h GLN 51 N 0.12 0.10 -0.00 3.15 4.15 -1.53 -3.29 115.11 117.80 2dj1 h GLN 51 Ca 0.74 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.99 2dj1 h GLN 51 Cb 2.48 0.06 0.00 0.00 0.21 0.00 0.00 27.48 30.24 2dj1 h GLN 51 CO -0.23 0.86 -0.03 0.34 -1.93 0.00 0.00 178.83 177.84 2dj1 n PHE 52 N -3.28 0.00 0.22 3.99 7.35 0.29 -3.91 117.46 122.13 2dj1 n PHE 52 Ca -0.13 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.39 2dj1 n PHE 52 Cb 1.02 -0.41 -0.09 0.00 0.35 0.00 0.00 39.48 40.35 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 3.15 -1.08 -0.21 3.13 0.00 0.20 0.32 119.26 124.77 2dj1 h ALA 53 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2dj1 h ALA 53 Cb 0.43 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2dj1 h ALA 53 CO 0.00 -1.13 -0.43 -1.00 0.00 0.00 0.00 179.25 176.69 2dj1 h PRO 54 N -0.86 0.50 -0.54 0.00 0.13 -1.80 -2.75 132.00 126.68 2dj1 h PRO 54 Ca -0.04 -0.26 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 2dj1 h PRO 54 Cb 0.78 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.89 2dj1 h PRO 54 CO -0.12 0.84 0.27 1.49 -0.23 0.00 0.00 178.00 180.25 2dj1 h GLU 55 N 0.41 0.75 -0.01 0.86 4.57 -1.64 -2.66 114.58 116.86 2dj1 h GLU 55 Ca 0.03 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 2dj1 h GLU 55 Cb 0.92 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 2dj1 h GLU 55 CO 0.08 0.57 -0.05 -0.92 -1.18 0.00 0.00 179.01 177.51 2dj1 h TYR 56 N 0.75 0.07 -0.70 0.92 3.20 -0.83 -3.27 116.97 117.12 2dj1 h TYR 56 Ca 0.19 -0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.18 2dj1 h TYR 56 Cb 0.06 -0.01 -0.13 0.00 1.54 0.00 0.00 36.73 38.19 2dj1 h TYR 56 CO 0.01 0.72 -0.07 0.93 -1.64 0.00 0.00 178.16 178.11 2dj1 h GLU 57 N -0.60 0.06 -0.30 1.82 5.08 -1.32 -0.77 114.58 118.55 2dj1 h GLU 57 Ca -0.00 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2dj1 h GLU 57 Cb 0.73 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.89 2dj1 h GLU 57 CO 0.01 0.04 -0.33 0.87 -1.00 0.00 0.00 179.01 178.60 2dj1 h LYS 58 N 0.06 -0.30 -0.95 2.33 1.57 -1.55 -0.51 116.57 117.23 2dj1 h LYS 58 Ca 0.36 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.27 2dj1 h LYS 58 Cb 0.59 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.89 2dj1 h LYS 58 CO -0.65 -0.20 0.58 0.82 -0.57 0.00 0.00 179.45 179.43 2dj1 h ILE 59 N -0.31 0.91 -0.48 1.86 2.04 -1.22 -1.80 117.51 118.51 2dj1 h ILE 59 Ca 0.14 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.73 2dj1 h ILE 59 Cb 0.54 -0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 36.45 2dj1 h ILE 59 CO -0.47 0.17 -0.41 0.00 0.00 0.00 0.00 178.15 177.44 2dj1 h ALA 60 N 1.51 -0.53 -0.57 1.87 0.00 -0.27 0.64 119.26 121.91 2dj1 h ALA 60 Ca 0.47 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.34 2dj1 h ALA 60 Cb 0.45 1.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 2dj1 h ALA 60 CO -0.26 -0.77 0.07 1.03 0.00 0.00 0.00 179.25 179.32 2dj1 h SER 61 N -0.16 0.89 -0.13 0.00 0.87 -1.41 -2.67 113.55 110.93 2dj1 h SER 61 Ca 0.08 -0.20 0.04 0.00 -1.23 0.00 0.00 61.79 60.48 2dj1 h SER 61 Cb 0.37 -0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 62.03 2dj1 h SER 61 CO -0.54 0.90 -0.43 0.74 -0.53 0.00 0.00 176.83 176.97 2dj1 h THR 62 N 0.88 0.13 0.00 2.23 2.02 -0.21 0.63 112.91 118.58 2dj1 h THR 62 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 2dj1 h THR 62 Cb 0.41 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2dj1 h THR 62 CO 0.01 0.00 -0.11 -0.07 0.37 0.00 0.00 175.52 175.73 2dj1 h LEU 63 N -0.50 0.00 -0.90 2.58 3.38 -0.91 -3.01 115.31 115.95 2dj1 h LEU 63 Ca 0.07 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.28 2dj1 h LEU 63 Cb 0.63 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.23 2dj1 h LEU 63 CO -0.40 0.11 0.09 0.50 0.09 0.00 0.00 178.44 178.83 2dj1 h LYS 64 N 0.00 0.09 -0.01 1.13 1.63 -0.51 0.96 116.57 119.87 2dj1 h LYS 64 Ca -0.00 -0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.66 2dj1 h LYS 64 Cb 0.32 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 2dj1 h LYS 64 CO 0.01 0.06 -0.63 0.38 -3.45 0.00 0.00 179.45 175.82 2dj1 h ASP 65 N 0.09 0.02 -2.32 4.20 3.04 -1.56 -3.42 116.42 116.47 2dj1 h ASP 65 Ca 0.54 -0.01 -0.61 0.00 -3.24 0.00 0.00 57.03 53.71 2dj1 h ASP 65 Cb 1.09 -0.01 0.13 0.00 -1.04 0.00 0.00 39.33 39.50 2dj1 h ASP 65 CO -0.78 0.65 -0.22 -3.20 -2.04 0.00 0.00 179.24 173.66 2dj1 n ASN 66 N -3.79 -0.13 -4.22 4.15 5.15 0.33 -4.81 115.26 111.94 2dj1 n ASN 66 Ca -0.01 1.01 -0.33 0.00 -0.60 0.00 0.00 54.58 54.65 2dj1 n ASN 66 Cb 0.63 -1.17 -0.15 0.00 -0.53 0.00 0.00 39.78 38.55 2dj1 n ASN 66 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2dj1 s ASP 67 N -0.84 3.53 0.93 1.20 2.15 -1.26 -1.57 116.67 120.82 2dj1 s ASP 67 Ca 0.62 -0.52 -0.12 0.00 0.43 0.00 0.00 52.55 52.96 2dj1 s ASP 67 Cb -0.66 -1.55 0.15 0.00 -0.30 0.00 0.00 42.92 40.57 2dj1 s ASP 67 CO 0.58 0.05 1.09 -2.16 -0.17 0.00 0.00 175.17 174.57 2dj1 s PRO 68 N 0.99 0.95 -0.48 4.34 0.04 -1.26 -4.89 135.00 134.69 2dj1 s PRO 68 Ca -0.02 0.71 -0.27 0.00 0.04 0.00 0.00 61.00 61.46 2dj1 s PRO 68 Cb -0.15 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 2dj1 s PRO 68 CO -0.03 -2.42 1.78 -1.25 0.04 0.00 0.00 177.00 175.12 2dj1 s PRO 69 N -4.94 3.01 0.13 0.56 0.04 -0.61 -4.98 135.00 128.21 2dj1 s PRO 69 Ca 0.64 0.96 -0.25 0.00 0.04 0.00 0.00 61.00 62.39 2dj1 s PRO 69 Cb -0.18 -4.27 -0.07 0.00 0.04 0.00 0.00 34.50 30.01 2dj1 s PRO 69 CO 0.57 -2.26 0.77 0.42 0.04 0.00 0.00 177.00 176.54 2dj1 s ILE 70 N 7.82 4.48 -0.36 0.56 1.01 -1.25 -5.03 121.20 128.42 2dj1 s ILE 70 Ca 0.71 1.67 -0.12 0.00 0.00 0.00 0.00 60.65 62.92 2dj1 s ILE 70 Cb -0.16 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.19 2dj1 s ILE 70 CO 0.27 0.48 0.22 0.00 0.00 0.00 0.00 174.94 175.91 2dj1 s ALA 71 N -0.84 3.35 -0.16 9.38 0.00 -1.26 -4.29 121.76 127.94 2dj1 s ALA 71 Ca 0.36 -1.60 -0.27 0.00 0.00 0.00 0.00 51.96 50.45 2dj1 s ALA 71 Cb -0.22 -2.63 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 2dj1 s ALA 71 CO 0.25 -1.25 0.89 0.08 0.00 0.00 0.00 175.76 175.73 2dj1 s VAL 72 N 1.62 4.85 0.12 0.00 1.01 -1.26 -3.35 120.40 123.38 2dj1 s VAL 72 Ca 0.04 1.76 0.01 0.00 0.00 0.00 0.00 61.98 63.79 2dj1 s VAL 72 Cb -0.18 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2dj1 s VAL 72 CO 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 175.10 175.16 2dj1 s ALA 73 N 2.16 1.04 0.30 5.51 0.00 -0.81 -0.62 121.76 129.33 2dj1 s ALA 73 Ca 0.41 -1.43 0.09 0.00 0.00 0.00 0.00 51.96 51.03 2dj1 s ALA 73 Cb -0.17 0.37 -0.06 0.00 0.00 0.00 0.00 23.12 23.26 2dj1 s ALA 73 CO 0.13 -0.30 -0.11 -1.59 0.00 0.00 0.00 175.76 173.89 2dj1 s LYS 74 N -3.89 1.65 -0.01 0.00 -2.85 0.32 -1.91 119.74 113.05 2dj1 s LYS 74 Ca 0.17 -1.82 -0.01 0.00 -1.00 0.00 0.00 55.97 53.31 2dj1 s LYS 74 Cb 0.06 -1.47 0.01 0.00 -2.06 0.00 0.00 37.83 34.37 2dj1 s LYS 74 CO -0.02 0.14 0.02 0.42 0.10 0.00 0.00 175.35 176.02 2dj1 s ILE 75 N -2.77 -0.01 -0.79 3.79 1.01 -0.31 -1.19 121.20 120.93 2dj1 s ILE 75 Ca 0.30 0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.80 2dj1 s ILE 75 Cb 0.01 -0.05 0.11 0.00 0.01 0.00 0.00 42.46 42.54 2dj1 s ILE 75 CO 0.14 0.02 1.00 -1.81 0.00 0.00 0.00 174.94 174.29 2dj1 s ASP 76 N 0.27 6.42 0.57 3.58 1.01 -1.26 -2.69 116.67 124.58 2dj1 s ASP 76 Ca -0.02 -1.65 0.33 0.00 0.71 0.00 0.00 52.55 51.92 2dj1 s ASP 76 Cb -0.03 -2.38 1.45 0.00 1.01 0.00 0.00 42.92 42.96 2dj1 s ASP 76 CO -0.01 -1.17 1.77 0.00 0.21 0.00 0.00 175.17 175.97 2dj1 h ALA 77 N 9.08 2.80 -0.78 5.23 0.00 -1.79 0.40 119.26 134.19 2dj1 h ALA 77 Ca -0.05 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2dj1 h ALA 77 Cb 1.05 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2dj1 h ALA 77 CO 1.12 -1.26 0.52 1.79 0.00 0.00 0.00 179.25 181.41 2dj1 h THR 78 N 0.00 1.19 0.00 0.00 1.35 -1.90 -2.92 112.91 110.64 2dj1 h THR 78 Ca 0.44 -0.36 -0.33 0.00 -0.55 0.00 0.00 66.41 65.62 2dj1 h THR 78 Cb 2.00 0.06 -0.06 0.00 -1.73 0.00 0.00 68.15 68.41 2dj1 h THR 78 CO -0.00 0.19 -1.99 -0.24 -0.25 0.00 0.00 175.52 173.23 2dj1 n SER 79 N -4.42 0.61 -4.62 5.36 2.88 0.12 -4.85 113.62 108.70 2dj1 n SER 79 Ca 0.09 0.24 -0.39 0.00 -1.33 0.00 0.00 58.87 57.48 2dj1 n SER 79 Cb 0.04 0.30 -0.09 0.00 -0.75 0.00 0.00 64.21 63.72 2dj1 n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dj1 s ALA 80 N -2.55 3.57 -0.02 -1.46 0.00 -0.14 -4.92 121.76 116.24 2dj1 s ALA 80 Ca -0.08 -0.73 0.11 0.00 0.00 0.00 0.00 51.96 51.27 2dj1 s ALA 80 Cb 0.07 -2.71 -0.17 0.00 0.00 0.00 0.00 23.12 20.31 2dj1 s ALA 80 CO 0.82 -0.59 0.24 0.43 0.00 0.00 0.00 175.76 176.66 2dj1 n SER 81 N 5.17 2.43 -0.06 0.00 7.64 -1.26 -4.35 113.62 123.19 2dj1 n SER 81 Ca -0.08 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.76 2dj1 n SER 81 Cb 0.51 1.49 -0.03 0.00 -1.01 0.00 0.00 64.21 65.16 2dj1 n SER 81 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2dj1 h MET 82 N 0.00 0.00 -0.88 1.43 2.86 -1.94 -3.33 114.93 113.07 2dj1 h MET 82 Ca -0.01 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.79 2dj1 h MET 82 Cb 0.55 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.15 2dj1 h MET 82 CO 0.00 0.25 0.57 -0.07 1.06 0.00 0.00 176.91 178.72 2dj1 h LEU 83 N -1.00 0.57 -0.77 1.22 3.38 -1.99 -0.64 115.31 116.08 2dj1 h LEU 83 Ca -0.02 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.11 2dj1 h LEU 83 Cb 0.33 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 2dj1 h LEU 83 CO -0.01 0.27 0.38 0.00 0.09 0.00 0.00 178.44 179.17 2dj1 h ALA 84 N 1.61 1.09 -0.17 1.53 0.00 -1.76 -0.71 119.26 120.85 2dj1 h ALA 84 Ca 0.45 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.30 2dj1 h ALA 84 Cb 0.85 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2dj1 h ALA 84 CO -0.20 -0.06 -0.45 1.03 0.00 0.00 0.00 179.25 179.57 2dj1 h SER 85 N 0.61 0.46 0.48 0.00 0.87 -1.23 0.64 113.55 115.39 2dj1 h SER 85 Ca 0.39 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2dj1 h SER 85 Cb 0.47 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2dj1 h SER 85 CO -0.31 0.85 -0.36 0.50 -0.53 0.00 0.00 176.83 176.98 2dj1 h LYS 86 N 0.35 -0.80 -0.93 2.24 3.64 -0.81 -2.64 116.57 117.61 2dj1 h LYS 86 Ca 0.02 0.05 -0.37 0.00 -1.27 0.00 0.00 60.65 59.09 2dj1 h LYS 86 Cb 0.93 0.18 -0.22 0.00 -0.41 0.00 0.00 32.23 32.72 2dj1 h LYS 86 CO 0.08 -0.53 0.46 1.19 -2.27 0.00 0.00 179.45 178.38 2dj1 n PHE 87 N -5.49 2.51 -3.54 1.91 3.01 -0.86 -4.89 117.46 110.12 2dj1 n PHE 87 Ca -0.11 -1.47 -0.26 0.00 1.01 0.00 0.00 57.45 56.61 2dj1 n PHE 87 Cb 0.38 -0.78 -0.05 0.00 -0.01 0.00 0.00 39.48 39.02 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 -0.65 -1.33 -4.55 4.37 2.03 -0.41 -4.65 116.55 111.35 2dj1 n ASP 88 Ca 0.47 -0.66 -0.14 0.00 0.52 0.00 0.00 54.79 54.98 2dj1 n ASP 88 Cb 1.44 -1.19 -0.09 0.00 -0.72 0.00 0.00 41.12 40.56 2dj1 n ASP 88 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2dj1 n VAL 89 N -3.08 0.00 -1.66 5.18 0.31 0.21 -4.70 118.33 114.59 2dj1 n VAL 89 Ca 0.07 -0.40 -0.22 0.00 -0.01 0.00 0.00 64.34 63.79 2dj1 n VAL 89 Cb 0.38 -1.84 0.09 0.00 -0.91 0.00 0.00 33.84 31.56 2dj1 n VAL 89 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2dj1 n SER 90 N 18.00 4.98 0.00 4.52 2.88 -1.26 -4.88 113.62 137.86 2dj1 n SER 90 Ca 0.46 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 54.23 2dj1 n SER 90 Cb 0.42 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 2dj1 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj1 n GLY 91 N -0.90 -0.98 3.56 0.46 0.00 -1.26 -5.18 105.19 100.89 2dj1 n GLY 91 Ca 0.47 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.59 0.64 1.61 1.51 -1.26 -4.25 117.35 113.00 2dj1 s TYR 92 Ca 0.00 1.10 -0.16 0.00 -1.01 0.00 0.00 57.07 57.01 2dj1 s TYR 92 Cb 0.00 0.40 -0.01 0.00 -0.11 0.00 0.00 41.96 42.24 2dj1 s TYR 92 CO 0.00 -0.49 1.11 -1.25 -1.11 0.00 0.00 175.55 173.82 2dj1 s PRO 93 N -0.88 2.91 -0.13 -1.71 0.04 -1.26 -4.97 135.00 129.00 2dj1 s PRO 93 Ca -0.06 1.43 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 2dj1 s PRO 93 Cb -0.01 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.61 2dj1 s PRO 93 CO 0.06 -1.17 0.04 0.99 0.04 0.00 0.00 177.00 176.96 2dj1 s THR 94 N -2.23 0.24 -0.12 1.26 2.01 -1.01 -5.02 115.64 110.76 2dj1 s THR 94 Ca 0.68 -0.14 -0.04 0.00 0.31 0.00 0.00 61.69 62.50 2dj1 s THR 94 Cb -0.21 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 2dj1 s THR 94 CO 0.39 -0.05 0.03 -0.63 -0.69 0.00 0.00 174.62 173.67 2dj1 s ILE 95 N 2.01 4.57 0.18 1.82 1.01 -1.26 -0.47 121.20 129.06 2dj1 s ILE 95 Ca 0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 2dj1 s ILE 95 Cb -0.15 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 2dj1 s ILE 95 CO -0.07 0.56 0.21 -0.54 0.00 0.00 0.00 174.94 175.10 2dj1 s LYS 96 N -0.45 1.18 -0.04 2.79 -0.14 -0.10 -3.78 119.74 119.20 2dj1 s LYS 96 Ca 0.09 -1.42 0.03 0.00 -1.36 0.00 0.00 55.97 53.31 2dj1 s LYS 96 Cb -0.12 0.32 0.01 0.00 -1.68 0.00 0.00 37.83 36.36 2dj1 s LYS 96 CO 0.02 -0.41 -0.12 0.42 -0.76 0.00 0.00 175.35 174.50 2dj1 s ILE 97 N -4.07 1.04 -0.26 2.17 1.01 -1.09 -2.15 121.20 117.86 2dj1 s ILE 97 Ca 0.28 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.36 2dj1 s ILE 97 Cb 0.05 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 2dj1 s ILE 97 CO 0.06 0.32 0.14 -0.22 0.00 0.00 0.00 174.94 175.25 2dj1 s LEU 98 N 0.36 3.83 -0.39 2.97 2.96 -0.74 -0.43 118.68 127.24 2dj1 s LEU 98 Ca -0.08 -0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 53.77 2dj1 s LEU 98 Cb -0.12 -2.05 0.11 0.00 0.50 0.00 0.00 46.19 44.63 2dj1 s LEU 98 CO 0.02 -0.03 0.15 -0.75 -1.32 0.00 0.00 176.35 174.42 2dj1 s LYS 99 N 1.61 1.81 -0.88 1.98 2.47 -0.50 -2.20 119.74 124.02 2dj1 s LYS 99 Ca 0.07 -1.85 0.00 0.00 -1.56 0.00 0.00 55.97 52.63 2dj1 s LYS 99 Cb -0.15 -3.45 0.00 0.00 -1.46 0.00 0.00 37.83 32.77 2dj1 s LYS 99 CO 0.08 -1.03 0.00 1.63 0.16 0.00 0.00 175.35 176.19 2dj1 n LYS 100 N 4.46 -1.92 0.00 4.03 5.02 0.61 0.68 118.16 131.03 2dj1 n LYS 100 Ca 0.00 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 2dj1 n LYS 100 Cb 0.42 -4.91 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 -0.51 1.08 3.22 0.72 0.00 -1.26 -5.08 105.19 103.37 2dj1 n GLY 101 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.50 2.49 -0.22 1.61 -0.21 0.21 -5.06 119.66 117.98 2dj1 s GLN 102 Ca 0.00 -1.28 -0.29 0.00 0.02 0.00 0.00 55.36 53.81 2dj1 s GLN 102 Cb 0.00 -3.36 -0.04 0.00 1.00 0.00 0.00 33.01 30.61 2dj1 s GLN 102 CO 0.00 -0.69 1.81 0.00 -2.12 0.00 0.00 175.29 174.29 2dj1 s ALA 103 N 1.32 3.11 -0.44 6.09 0.00 -1.26 -1.41 121.76 129.16 2dj1 s ALA 103 Ca -0.02 0.57 -0.09 0.00 0.00 0.00 0.00 51.96 52.41 2dj1 s ALA 103 Cb -0.20 -3.93 0.09 0.00 0.00 0.00 0.00 23.12 19.08 2dj1 s ALA 103 CO 0.01 -2.23 0.30 0.08 0.00 0.00 0.00 175.76 173.92 2dj1 s VAL 104 N 6.10 4.26 0.17 0.00 1.01 0.43 -4.99 120.40 127.36 2dj1 s VAL 104 Ca 0.81 -1.54 -0.34 0.00 0.00 0.00 0.00 61.98 60.91 2dj1 s VAL 104 Cb -0.28 -3.68 -0.14 0.00 0.00 0.00 0.00 36.38 32.27 2dj1 s VAL 104 CO 0.33 -0.62 1.44 -0.90 0.00 0.00 0.00 175.10 175.35 2dj1 n ASP 105 N 4.92 2.51 -4.60 3.32 5.68 -1.26 -2.66 116.55 124.47 2dj1 n ASP 105 Ca -0.09 1.11 -0.42 0.00 -0.50 0.00 0.00 54.79 54.89 2dj1 n ASP 105 Cb 0.42 -1.36 -0.06 0.00 -1.14 0.00 0.00 41.12 38.99 2dj1 n ASP 105 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2dj1 s TYR 106 N 0.43 3.20 -0.64 2.11 5.04 -1.25 -4.93 117.35 121.30 2dj1 s TYR 106 Ca 0.76 0.68 -0.03 0.00 -2.44 0.00 0.00 57.07 56.04 2dj1 s TYR 106 Cb -0.74 -3.14 0.17 0.00 0.35 0.00 0.00 41.96 38.59 2dj1 s TYR 106 CO 0.44 -0.55 0.47 -0.51 -1.34 0.00 0.00 175.55 174.06 2dj1 s ASP 107 N 1.65 5.33 0.08 4.32 1.01 -1.26 -4.96 116.67 122.83 2dj1 s ASP 107 Ca 0.29 -2.87 -0.07 0.00 0.71 0.00 0.00 52.55 50.60 2dj1 s ASP 107 Cb -0.14 -1.88 0.03 0.00 1.01 0.00 0.00 42.92 41.94 2dj1 s ASP 107 CO 0.13 -0.37 0.36 0.61 0.21 0.00 0.00 175.17 176.11 2dj1 n GLY 108 N 3.48 1.13 1.52 0.21 0.00 -1.26 -5.01 105.19 105.25 2dj1 n GLY 108 Ca 0.08 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.89 3.34 -3.92 1.61 7.64 -1.26 -4.89 113.62 115.26 2dj1 n SER 109 Ca -0.01 -2.71 -0.29 0.00 1.01 0.00 0.00 58.87 56.87 2dj1 n SER 109 Cb 0.21 -0.65 -0.03 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 -0.19 -0.69 -4.24 1.43 1.85 -1.26 -4.91 116.66 108.66 2dj1 n ARG 110 Ca 0.26 -0.02 -0.25 0.00 -1.00 0.00 0.00 57.85 56.84 2dj1 n ARG 110 Cb 1.00 -2.06 -0.08 0.00 -1.05 0.00 0.00 32.46 30.27 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 -3.97 2.38 0.43 8.89 -4.23 -1.26 -4.89 115.64 112.98 2dj1 s THR 111 Ca 0.18 -1.79 0.13 0.00 -1.18 0.00 0.00 61.69 59.03 2dj1 s THR 111 Cb -0.10 -2.96 0.17 0.00 1.34 0.00 0.00 72.50 70.95 2dj1 s THR 111 CO 0.72 -0.05 1.97 -0.61 -0.54 0.00 0.00 174.62 176.10 2dj1 h GLN 112 N 1.56 0.07 0.15 3.99 4.15 -1.91 0.23 115.11 123.36 2dj1 h GLN 112 Ca -0.43 -0.02 -0.21 0.00 0.77 0.00 0.00 58.65 58.76 2dj1 h GLN 112 Cb 1.25 -0.01 0.02 0.00 0.21 0.00 0.00 27.48 28.95 2dj1 h GLN 112 CO 0.70 0.24 -0.95 1.05 -1.93 0.00 0.00 178.83 177.95 2dj1 h GLU 113 N 0.07 0.32 0.09 1.69 4.11 -1.98 -3.21 114.58 115.68 2dj1 h GLU 113 Ca 0.01 -0.55 -0.00 0.00 0.07 0.00 0.00 59.36 58.89 2dj1 h GLU 113 Cb 0.34 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2dj1 h GLU 113 CO 0.02 1.26 -0.04 0.93 0.07 0.00 0.00 179.01 181.25 2dj1 h GLU 114 N -0.31 -0.12 -0.93 1.06 4.39 -1.91 -0.33 114.58 116.43 2dj1 h GLU 114 Ca -0.17 0.01 0.27 0.00 0.34 0.00 0.00 59.36 59.81 2dj1 h GLU 114 Cb 1.72 0.03 -0.17 0.00 -0.10 0.00 0.00 28.75 30.22 2dj1 h GLU 114 CO 0.16 -0.08 0.08 -0.89 -1.16 0.00 0.00 179.01 177.12 2dj1 n ILE 115 N -2.79 -0.39 -0.04 3.13 5.41 0.78 0.12 119.36 125.58 2dj1 n ILE 115 Ca -0.02 2.03 -0.16 0.00 1.00 0.00 0.00 62.75 65.60 2dj1 n ILE 115 Cb 0.05 -3.00 -0.06 0.00 -0.71 0.00 0.00 39.64 35.92 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 1.28 -0.79 1.39 2.07 -1.65 -0.52 116.25 118.03 2dj1 h VAL 116 Ca 0.59 -1.91 0.01 0.00 0.82 0.00 0.00 66.70 66.22 2dj1 h VAL 116 Cb 1.28 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.89 2dj1 h VAL 116 CO -0.86 0.61 0.52 0.00 0.02 0.00 0.00 177.57 177.86 2dj1 h ALA 117 N 0.61 1.01 0.10 1.67 0.00 0.28 -1.38 119.26 121.55 2dj1 h ALA 117 Ca -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2dj1 h ALA 117 Cb 1.33 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2dj1 h ALA 117 CO 0.15 0.38 -0.05 -0.22 0.00 0.00 0.00 179.25 179.51 2dj1 h LYS 118 N 1.04 -0.13 -0.93 0.00 1.63 -0.62 -2.70 116.57 114.87 2dj1 h LYS 118 Ca 0.30 0.01 0.15 0.00 -0.85 0.00 0.00 60.65 60.26 2dj1 h LYS 118 Cb -0.08 0.03 -0.16 0.00 -0.60 0.00 0.00 32.23 31.42 2dj1 h LYS 118 CO -0.08 -0.09 -0.36 0.28 -3.45 0.00 0.00 179.45 175.75 2dj1 h VAL 119 N -0.92 0.03 -0.37 2.00 2.07 -1.14 0.95 116.25 118.88 2dj1 h VAL 119 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 2dj1 h VAL 119 Cb 0.11 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 2dj1 h VAL 119 CO 0.02 0.00 0.04 0.08 0.02 0.00 0.00 177.57 177.73 2dj1 h ARG 120 N -0.03 0.56 -0.38 1.57 0.11 -1.40 0.12 114.38 114.94 2dj1 h ARG 120 Ca 0.34 -0.11 -0.10 0.00 0.10 0.00 0.00 59.98 60.22 2dj1 h ARG 120 Cb 0.60 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.58 2dj1 h ARG 120 CO -0.94 0.55 -0.17 1.49 0.10 0.00 0.00 179.97 181.00 2dj1 h GLU 121 N 0.54 0.71 0.13 0.08 4.81 0.11 -3.12 114.58 117.84 2dj1 h GLU 121 Ca 0.12 -0.25 -0.22 0.00 -0.13 0.00 0.00 59.36 58.88 2dj1 h GLU 121 Cb 0.28 -0.05 0.02 0.00 0.63 0.00 0.00 28.75 29.64 2dj1 h GLU 121 CO 0.00 0.83 -0.93 0.28 -0.73 0.00 0.00 179.01 178.47 2dj1 h VAL 122 N 0.63 1.44 -0.96 0.32 2.07 0.02 -3.31 116.25 116.46 2dj1 h VAL 122 Ca 0.10 -2.47 0.28 0.00 0.82 0.00 0.00 66.70 65.43 2dj1 h VAL 122 Cb 0.64 3.02 -0.14 0.00 -1.52 0.00 0.00 31.29 33.28 2dj1 h VAL 122 CO 0.05 0.72 0.47 0.77 0.02 0.00 0.00 177.57 179.59 2dj1 h SER 123 N -0.17 0.37 -1.47 0.57 4.64 -0.75 -3.42 113.55 113.31 2dj1 h SER 123 Ca -0.15 0.19 -0.67 0.00 -0.47 0.00 0.00 61.79 60.69 2dj1 h SER 123 Cb 1.70 0.17 0.10 0.00 -0.31 0.00 0.00 62.40 64.05 2dj1 h SER 123 CO 0.18 -0.11 -0.20 0.00 -0.87 0.00 0.00 176.83 175.83 2dj1 n GLN 124 N -5.09 0.48 0.25 4.77 1.13 -1.18 -4.84 117.38 112.91 2dj1 n GLN 124 Ca 0.28 0.17 0.14 0.00 -1.94 0.00 0.00 57.00 55.65 2dj1 n GLN 124 Cb 0.86 -1.38 0.61 0.00 0.11 0.00 0.00 30.24 30.44 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 1.79 0.00 0.06 -1.09 0.13 -1.92 -2.97 132.00 128.00 2dj1 h PRO 125 Ca -0.35 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.49 2dj1 h PRO 125 Cb 1.40 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.51 2dj1 h PRO 125 CO 0.61 0.11 -1.49 0.22 -0.23 0.00 0.00 178.00 177.22 2dj1 h ASP 126 N 0.00 0.21 -2.66 1.44 1.82 -1.91 -3.47 116.42 111.86 2dj1 h ASP 126 Ca -0.00 -0.31 -0.60 0.00 -0.39 0.00 0.00 57.03 55.73 2dj1 h ASP 126 Cb 0.57 -0.07 0.12 0.00 0.68 0.00 0.00 39.33 40.63 2dj1 h ASP 126 CO 0.01 1.26 0.12 1.87 -1.61 0.00 0.00 179.24 180.90 2dj1 n TRP 127 N -3.33 1.18 -4.08 0.28 -0.00 -1.12 -5.00 117.44 105.37 2dj1 n TRP 127 Ca -0.14 0.65 -0.14 0.00 -0.00 0.00 0.00 57.50 57.88 2dj1 n TRP 127 Cb 1.02 -2.24 -0.12 0.00 -0.00 0.00 0.00 31.31 29.98 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 -1.15 0.56 0.03 5.87 -4.23 -1.26 -4.97 115.64 110.48 2dj1 s THR 128 Ca 0.60 -1.01 -0.30 0.00 -1.18 0.00 0.00 61.69 59.79 2dj1 s THR 128 Cb -0.65 -0.61 -0.06 0.00 1.34 0.00 0.00 72.50 72.52 2dj1 s THR 128 CO 0.59 -0.33 1.43 -2.16 -0.54 0.00 0.00 174.62 173.61 2dj1 s PRO 129 N -1.46 4.28 0.69 3.99 0.04 -1.26 -5.01 135.00 136.28 2dj1 s PRO 129 Ca -0.09 2.02 -0.14 0.00 0.04 0.00 0.00 61.00 62.84 2dj1 s PRO 129 Cb -0.09 -3.52 0.02 0.00 0.04 0.00 0.00 34.50 30.94 2dj1 s PRO 129 CO 0.00 -0.57 1.10 -1.25 0.04 0.00 0.00 177.00 176.33 2dj1 s PRO 130 N 2.20 2.64 -0.31 0.56 0.04 -1.26 -4.95 135.00 133.92 2dj1 s PRO 130 Ca 0.65 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.72 2dj1 s PRO 130 Cb -0.33 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 2dj1 s PRO 130 CO 0.28 -1.37 1.67 -1.25 0.04 0.00 0.00 177.00 176.37 2dj1 s PRO 131 N -4.35 3.52 -0.29 0.56 0.04 -1.26 -4.97 135.00 128.25 2dj1 s PRO 131 Ca 0.65 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 63.09 2dj1 s PRO 131 Cb -0.19 -4.12 0.09 0.00 0.04 0.00 0.00 34.50 30.32 2dj1 s PRO 131 CO 0.46 -1.63 0.08 -1.83 0.04 0.00 0.00 177.00 174.12 2dj1 s GLU 132 N 5.23 0.70 -0.07 4.56 -1.05 -1.26 -5.10 118.70 121.71 2dj1 s GLU 132 Ca 0.74 -0.93 -0.00 0.00 -0.15 0.00 0.00 54.97 54.62 2dj1 s GLU 132 Cb -0.22 -1.98 0.02 0.00 -0.44 0.00 0.00 34.13 31.52 2dj1 s GLU 132 CO 0.32 -0.92 -0.03 0.54 0.95 0.00 0.00 175.26 176.12 2dj1 s VAL 133 N 1.68 0.58 -0.04 1.83 0.11 -1.26 -5.13 120.40 118.16 2dj1 s VAL 133 Ca 0.07 -0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 2dj1 s VAL 133 Cb -0.17 -0.66 0.02 0.00 -1.53 0.00 0.00 36.38 34.04 2dj1 s VAL 133 CO -0.23 0.28 -0.04 0.28 -3.33 0.00 0.00 175.10 172.05 2dj1 s THR 134 N 1.57 0.53 -0.12 5.04 -1.32 -1.26 -5.13 115.64 114.95 2dj1 s THR 134 Ca -0.00 -0.12 0.01 0.00 -1.21 0.00 0.00 61.69 60.36 2dj1 s THR 134 Cb -0.13 -0.55 0.02 0.00 -1.51 0.00 0.00 72.50 70.32 2dj1 s THR 134 CO -0.04 0.22 -0.14 -0.55 -2.21 0.00 0.00 174.62 171.90 2dj1 s SER 135 N 0.89 2.45 0.00 8.08 0.15 -1.26 -5.10 113.70 118.90 2dj1 s SER 135 Ca -0.12 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2dj1 s SER 135 Cb -0.14 -1.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 2dj1 s SER 135 CO 0.00 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.04 2dj1 n GLY 136 N 4.41 1.56 0.00 9.45 0.00 -1.26 -4.97 105.19 114.39 2dj1 n GLY 136 Ca -0.18 -0.91 0.05 0.00 0.00 0.00 0.00 46.02 44.98 2dj1 n GLY 136 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dj1 n PRO 137 N -0.56 0.49 -0.24 1.61 -0.04 -1.26 -4.08 135.00 130.92 2dj1 n PRO 137 Ca 0.00 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 2dj1 n PRO 137 Cb 0.00 -1.31 0.23 0.00 -0.04 0.00 0.00 33.50 32.38 2dj1 n PRO 137 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dj1 n SER 138 N -0.81 -0.05 -0.32 3.54 3.41 -1.26 0.10 113.62 118.24 2dj1 n SER 138 Ca 0.07 1.18 -0.11 0.00 -0.26 0.00 0.00 58.87 59.75 2dj1 n SER 138 Cb 0.03 -0.44 -0.09 0.00 -0.26 0.00 0.00 64.21 63.45 2dj1 n SER 138 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dj1 h SER 139 N 0.00 -1.94 0.00 4.04 0.02 -2.03 -3.56 113.55 110.08 2dj1 h SER 139 Ca 0.44 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.67 2dj1 h SER 139 Cb 0.94 0.84 0.00 0.00 0.14 0.00 0.00 62.40 64.33 2dj1 h SER 139 CO -0.64 -0.26 0.00 0.61 -1.14 0.00 0.00 176.83 175.40