#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 6.76 0.16 1.61 0.15 -1.26 -5.07 113.70 116.05 2dj1 s SER 2 Ca 0.00 1.36 -0.25 0.00 0.70 0.00 0.00 55.95 57.76 2dj1 s SER 2 Cb 0.00 -2.41 0.06 0.00 -1.71 0.00 0.00 66.02 61.96 2dj1 s SER 2 CO 0.00 -0.29 0.95 -0.94 1.20 0.00 0.00 173.24 174.15 2dj1 s SER 3 N -2.45 -0.18 0.22 5.45 1.04 -1.26 -5.17 113.70 111.35 2dj1 s SER 3 Ca 0.56 -0.42 -0.08 0.00 0.48 0.00 0.00 55.95 56.49 2dj1 s SER 3 Cb -0.10 0.50 -0.06 0.00 0.10 0.00 0.00 66.02 66.46 2dj1 s SER 3 CO 0.20 -0.93 0.50 -0.83 0.98 0.00 0.00 173.24 173.16 2dj1 s GLY 4 N -2.95 2.20 -0.16 7.32 0.00 -1.26 -5.03 107.32 107.43 2dj1 s GLY 4 Ca 0.12 -0.40 -0.13 0.00 0.00 0.00 0.00 44.72 44.32 2dj1 s GLY 4 CO 0.03 -0.28 -0.14 -1.14 0.00 0.00 0.00 173.10 171.57 2dj1 n SER 5 N -0.21 1.84 -3.70 1.64 3.41 -1.26 -5.10 113.62 110.25 2dj1 n SER 5 Ca -0.01 0.55 0.01 0.00 -0.26 0.00 0.00 58.87 59.17 2dj1 n SER 5 Cb 0.52 -0.87 0.01 0.00 -0.26 0.00 0.00 64.21 63.62 2dj1 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dj1 s SER 6 N -6.02 -0.01 0.10 4.04 1.04 -1.26 -5.19 113.70 106.40 2dj1 s SER 6 Ca -0.20 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 55.95 2dj1 s SER 6 Cb 0.03 0.23 -0.00 0.00 0.10 0.00 0.00 66.02 66.38 2dj1 s SER 6 CO 0.32 -0.45 0.11 0.61 0.98 0.00 0.00 173.24 174.81 2dj1 n GLY 7 N -0.79 3.39 3.49 7.32 0.00 -1.26 -5.13 105.19 112.21 2dj1 n GLY 7 Ca 0.00 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.69 6.14 0.13 1.61 -4.77 -1.26 -5.03 116.67 111.80 2dj1 s ASP 8 Ca 0.11 -0.62 -0.24 0.00 -3.30 0.00 0.00 52.55 48.50 2dj1 s ASP 8 Cb 0.00 -2.18 0.07 0.00 -1.09 0.00 0.00 42.92 39.72 2dj1 s ASP 8 CO 0.08 -0.43 0.61 -1.81 0.70 0.00 0.00 175.17 174.32 2dj1 s ASP 9 N 1.74 -0.58 0.00 2.11 1.01 -1.26 -5.12 116.67 114.57 2dj1 s ASP 9 Ca 0.09 0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.44 2dj1 s ASP 9 Cb -0.18 0.59 0.00 0.00 1.01 0.00 0.00 42.92 44.34 2dj1 s ASP 9 CO 0.11 -0.92 0.00 0.47 0.21 0.00 0.00 175.17 175.04 2dj1 n ASP 10 N -0.21 0.00 -3.46 0.27 9.92 -1.26 -5.00 116.55 116.81 2dj1 n ASP 10 Ca -0.17 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 53.96 2dj1 n ASP 10 Cb 0.64 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.11 2dj1 n ASP 10 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dj1 n LEU 11 N -1.72 -0.17 -4.79 0.64 -0.00 -1.26 -4.82 117.00 104.89 2dj1 n LEU 11 Ca 0.00 -0.41 -0.31 0.00 -0.00 0.00 0.00 56.01 55.29 2dj1 n LEU 11 Cb 0.00 -0.50 0.08 0.00 -0.00 0.00 0.00 43.42 43.00 2dj1 n LEU 11 CO 0.00 0.21 0.70 -0.70 -0.00 0.00 0.00 177.39 177.60 2dj1 s GLU 12 N -5.10 2.40 -0.01 1.47 2.12 -1.26 -4.94 118.70 113.38 2dj1 s GLU 12 Ca 0.08 0.98 -0.05 0.00 0.36 0.00 0.00 54.97 56.33 2dj1 s GLU 12 Cb -0.04 -1.93 0.00 0.00 0.26 0.00 0.00 34.13 32.42 2dj1 s GLU 12 CO 0.31 -1.48 0.11 0.08 -0.54 0.00 0.00 175.26 173.74 2dj1 s VAL 13 N -3.00 0.06 0.58 3.70 1.01 -1.26 -4.94 120.40 116.55 2dj1 s VAL 13 Ca 0.60 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 62.14 2dj1 s VAL 13 Cb -0.16 -0.32 0.06 0.00 0.00 0.00 0.00 36.38 35.97 2dj1 s VAL 13 CO 0.55 -0.26 0.80 -0.54 0.00 0.00 0.00 175.10 175.65 2dj1 s LYS 14 N -0.88 2.31 -0.10 2.72 1.02 -1.26 -4.92 119.74 118.62 2dj1 s LYS 14 Ca -0.10 -1.12 -0.12 0.00 0.02 0.00 0.00 55.97 54.65 2dj1 s LYS 14 Cb -0.06 -2.52 0.03 0.00 -0.52 0.00 0.00 37.83 34.76 2dj1 s LYS 14 CO 0.01 -0.86 0.33 -1.83 -0.92 0.00 0.00 175.35 172.07 2dj1 s GLU 15 N -4.77 0.44 -0.38 1.68 -1.05 -1.26 -0.58 118.70 112.77 2dj1 s GLU 15 Ca 0.60 0.33 0.02 0.00 -0.15 0.00 0.00 54.97 55.78 2dj1 s GLU 15 Cb -0.08 0.21 0.11 0.00 -0.44 0.00 0.00 34.13 33.93 2dj1 s GLU 15 CO 0.39 -0.07 0.14 -1.21 0.95 0.00 0.00 175.26 175.46 2dj1 s GLU 16 N -0.12 1.30 -1.54 -4.83 2.02 0.94 -4.76 118.70 111.70 2dj1 s GLU 16 Ca -0.03 -1.80 -0.01 0.00 0.02 0.00 0.00 54.97 53.15 2dj1 s GLU 16 Cb -0.03 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.51 2dj1 s GLU 16 CO 0.01 -1.03 0.20 0.09 0.02 0.00 0.00 175.26 174.55 2dj1 n ASN 17 N 4.08 -5.54 0.00 -0.19 3.02 -1.26 -1.79 115.26 113.59 2dj1 n ASN 17 Ca 0.03 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2dj1 n ASN 17 Cb 0.39 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.05 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 -1.17 3.15 3.52 7.41 0.00 -1.26 -4.72 105.19 112.13 2dj1 n GLY 18 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.76 4.28 0.65 1.61 1.01 -0.74 -4.64 120.40 119.81 2dj1 s VAL 19 Ca 0.00 0.31 -0.17 0.00 0.00 0.00 0.00 61.98 62.13 2dj1 s VAL 19 Cb 0.00 -4.61 -0.00 0.00 0.00 0.00 0.00 36.38 31.76 2dj1 s VAL 19 CO 0.00 -1.24 1.19 0.26 0.00 0.00 0.00 175.10 175.31 2dj1 s TRP 20 N 4.24 2.31 -0.48 5.22 0.52 -0.53 -0.04 118.94 130.18 2dj1 s TRP 20 Ca 0.32 1.55 -0.07 0.00 0.02 0.00 0.00 56.10 57.92 2dj1 s TRP 20 Cb -0.12 -3.43 0.12 0.00 -1.15 0.00 0.00 33.47 28.90 2dj1 s TRP 20 CO 0.19 -2.26 0.33 0.08 0.02 0.00 0.00 176.95 175.31 2dj1 s VAL 21 N -1.85 3.90 0.48 4.03 1.01 0.26 -0.43 120.40 127.80 2dj1 s VAL 21 Ca 0.75 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.70 2dj1 s VAL 21 Cb -0.28 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.51 2dj1 s VAL 21 CO 0.39 -0.77 0.70 -0.76 0.00 0.00 0.00 175.10 174.66 2dj1 s LEU 22 N 1.09 3.55 0.02 3.92 1.43 -1.15 -4.16 118.68 123.38 2dj1 s LEU 22 Ca 0.08 0.22 -0.28 0.00 -1.03 0.00 0.00 54.13 53.13 2dj1 s LEU 22 Cb -0.24 -3.10 0.10 0.00 0.03 0.00 0.00 46.19 42.98 2dj1 s LEU 22 CO -0.02 -0.82 0.83 0.54 0.23 0.00 0.00 176.35 177.11 2dj1 s ASN 23 N -4.27 -0.41 0.63 2.29 4.22 -1.26 -4.66 114.94 111.48 2dj1 s ASN 23 Ca 0.51 0.03 0.17 0.00 -2.14 0.00 0.00 52.86 51.43 2dj1 s ASN 23 Cb -0.10 0.43 0.74 0.00 1.28 0.00 0.00 41.25 43.60 2dj1 s ASN 23 CO 0.38 -0.68 1.35 -2.24 -2.04 0.00 0.00 177.10 173.87 2dj1 h ASP 24 N 2.04 0.00 0.16 3.54 2.03 -1.97 2.17 116.42 124.38 2dj1 h ASP 24 Ca -0.25 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 55.83 2dj1 h ASP 24 Cb 1.25 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.78 2dj1 h ASP 24 CO 0.32 0.00 -0.97 1.23 -1.03 0.00 0.00 179.24 178.79 2dj1 h GLY 25 N 0.00 0.43 -0.71 7.15 0.00 -2.01 -3.36 103.07 104.56 2dj1 h GLY 25 Ca 0.20 -1.06 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 2dj1 h GLY 25 CO -0.00 0.93 -0.04 1.16 0.00 0.00 0.00 176.54 178.59 2dj1 n ASN 26 N -4.03 2.80 0.09 0.19 0.23 0.23 -4.66 115.26 110.12 2dj1 n ASN 26 Ca -0.14 -3.17 -0.10 0.00 -0.53 0.00 0.00 54.58 50.63 2dj1 n ASN 26 Cb 0.89 -0.49 -0.07 0.00 -2.08 0.00 0.00 39.78 38.03 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 0.71 -0.28 -0.10 -2.53 3.57 0.30 -1.94 116.94 116.67 2dj1 h PHE 27 Ca 0.01 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 2dj1 h PHE 27 Cb 1.18 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.02 2dj1 h PHE 27 CO 0.28 0.09 -0.39 0.22 -2.23 0.00 0.00 178.31 176.28 2dj1 h ASP 28 N -0.91 0.52 -0.31 0.41 3.58 -1.82 -2.61 116.42 115.28 2dj1 h ASP 28 Ca -0.03 -0.62 0.03 0.00 0.42 0.00 0.00 57.03 56.83 2dj1 h ASP 28 Cb 0.50 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 2dj1 h ASP 28 CO 0.05 1.06 0.11 0.78 -2.88 0.00 0.00 179.24 178.36 2dj1 h ASN 29 N 0.02 0.12 0.86 2.28 4.21 -1.83 0.46 115.58 121.70 2dj1 h ASN 29 Ca -0.02 0.03 -0.04 0.00 1.21 0.00 0.00 56.30 57.48 2dj1 h ASN 29 Cb 1.03 0.02 0.01 0.00 -1.12 0.00 0.00 38.32 38.26 2dj1 h ASN 29 CO 0.08 0.11 -0.41 0.15 -1.29 0.00 0.00 177.43 176.07 2dj1 h PHE 30 N 0.25 -1.07 0.00 1.19 3.04 -1.41 -2.51 116.94 116.43 2dj1 h PHE 30 Ca 0.14 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.06 2dj1 h PHE 30 Cb 0.11 0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.97 2dj1 h PHE 30 CO -0.14 -0.66 0.00 -0.39 -2.02 0.00 0.00 178.31 175.10 2dj1 h VAL 31 N -1.17 0.00 -0.74 1.41 -1.51 -1.40 -2.86 116.25 109.97 2dj1 h VAL 31 Ca -0.12 -0.01 0.16 0.00 -1.23 0.00 0.00 66.70 65.50 2dj1 h VAL 31 Cb 0.88 1.00 -0.14 0.00 -2.13 0.00 0.00 31.29 30.91 2dj1 h VAL 31 CO 0.19 0.00 -0.11 0.00 -1.23 0.00 0.00 177.57 176.43 2dj1 h ALA 32 N 2.00 0.61 -1.05 5.19 0.00 0.41 0.23 119.26 126.65 2dj1 h ALA 32 Ca 0.00 0.27 -0.69 0.00 0.00 0.00 0.00 54.91 54.49 2dj1 h ALA 32 Cb 0.01 0.50 -0.32 0.00 0.00 0.00 0.00 17.79 17.99 2dj1 h ALA 32 CO 0.00 -0.42 0.51 -3.47 0.00 0.00 0.00 179.25 175.87 2dj1 n ASP 33 N -5.43 6.86 -3.74 0.00 2.03 -1.08 -4.93 116.55 110.26 2dj1 n ASP 33 Ca 0.11 -3.79 -0.14 0.00 0.52 0.00 0.00 54.79 51.49 2dj1 n ASP 33 Cb 0.42 -0.86 -0.14 0.00 -0.72 0.00 0.00 41.12 39.81 2dj1 n ASP 33 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2dj1 s LYS 34 N -3.86 0.09 0.05 -0.67 -0.14 0.07 -5.04 119.74 110.24 2dj1 s LYS 34 Ca 0.56 0.39 -0.16 0.00 -1.36 0.00 0.00 55.97 55.40 2dj1 s LYS 34 Cb 0.45 -0.19 -0.25 0.00 -1.68 0.00 0.00 37.83 36.17 2dj1 s LYS 34 CO -0.20 -0.18 1.13 -0.44 -0.76 0.00 0.00 175.35 174.91 2dj1 h ASP 35 N 7.33 0.80 -2.95 2.83 5.19 -1.92 -3.42 116.42 124.28 2dj1 h ASP 35 Ca -0.41 -0.77 -0.34 0.00 -0.62 0.00 0.00 57.03 54.89 2dj1 h ASP 35 Cb 1.14 -0.25 -0.37 0.00 0.18 0.00 0.00 39.33 40.03 2dj1 h ASP 35 CO 0.40 1.47 -0.66 -0.89 -3.12 0.00 0.00 179.24 176.44 2dj1 s THR 36 N -3.17 -0.23 -0.12 0.35 2.01 -1.26 -1.53 115.64 111.69 2dj1 s THR 36 Ca -0.11 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.05 2dj1 s THR 36 Cb 0.05 -0.44 0.01 0.00 0.01 0.00 0.00 72.50 72.14 2dj1 s THR 36 CO 0.90 -0.03 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.93 2dj1 s VAL 37 N 2.26 1.74 0.04 3.82 1.01 -0.79 -4.05 120.40 124.43 2dj1 s VAL 37 Ca 0.04 -0.79 -0.26 0.00 0.00 0.00 0.00 61.98 60.98 2dj1 s VAL 37 Cb -0.14 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 2dj1 s VAL 37 CO -0.08 0.49 0.79 -0.22 0.00 0.00 0.00 175.10 176.08 2dj1 s LEU 38 N 0.90 4.44 0.02 3.92 2.96 -0.87 -1.52 118.68 128.55 2dj1 s LEU 38 Ca -0.07 1.48 0.07 0.00 -0.22 0.00 0.00 54.13 55.39 2dj1 s LEU 38 Cb -0.15 -3.27 -0.02 0.00 0.50 0.00 0.00 46.19 43.24 2dj1 s LEU 38 CO -0.02 -0.01 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.03 2dj1 s LEU 39 N 0.05 2.12 -0.07 -0.68 1.43 -0.43 -1.68 118.68 119.42 2dj1 s LEU 39 Ca 0.40 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2dj1 s LEU 39 Cb -0.21 -1.00 0.04 0.00 0.03 0.00 0.00 46.19 45.05 2dj1 s LEU 39 CO 0.24 0.19 0.05 -0.70 0.23 0.00 0.00 176.35 176.36 2dj1 s GLU 40 N -0.94 0.09 0.15 1.70 -6.30 -0.72 -0.22 118.70 112.46 2dj1 s GLU 40 Ca 0.08 0.24 -0.15 0.00 -2.50 0.00 0.00 54.97 52.63 2dj1 s GLU 40 Cb -0.08 -0.84 -0.07 0.00 0.00 0.00 0.00 34.13 33.13 2dj1 s GLU 40 CO 0.01 -0.39 0.57 -0.06 0.02 0.00 0.00 175.26 175.41 2dj1 s PHE 41 N 2.12 3.61 0.25 5.30 0.40 0.51 -0.82 117.98 129.36 2dj1 s PHE 41 Ca 0.04 1.10 -0.06 0.00 -0.60 0.00 0.00 56.93 57.41 2dj1 s PHE 41 Cb -0.13 -2.40 -0.02 0.00 0.51 0.00 0.00 43.02 40.99 2dj1 s PHE 41 CO -0.04 0.42 0.35 1.52 0.70 0.00 0.00 175.22 178.16 2dj1 s TYR 42 N -1.47 0.81 -0.04 0.36 -0.85 -1.09 -2.33 117.35 112.75 2dj1 s TYR 42 Ca 0.38 -1.09 0.03 0.00 -0.52 0.00 0.00 57.07 55.88 2dj1 s TYR 42 Cb -0.15 -0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.04 2dj1 s TYR 42 CO 0.19 -0.89 -0.13 0.00 -1.52 0.00 0.00 175.55 173.20 2dj1 s ALA 43 N -3.88 1.24 0.29 9.51 0.00 -1.26 -3.85 121.76 123.82 2dj1 s ALA 43 Ca 0.30 -0.52 0.15 0.00 0.00 0.00 0.00 51.96 51.90 2dj1 s ALA 43 Cb 0.02 -0.44 0.69 0.00 0.00 0.00 0.00 23.12 23.39 2dj1 s ALA 43 CO 0.13 0.20 1.77 -1.00 0.00 0.00 0.00 175.76 176.86 2dj1 h PRO 44 N 6.39 0.00 -0.26 0.00 0.13 -2.01 -2.57 132.00 133.69 2dj1 h PRO 44 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 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 0.48 0.41 0.00 -2.67 -0.23 0.00 0.00 178.00 175.99 2dj1 n TRP 45 N -3.82 0.33 -4.19 1.56 4.27 -1.26 -4.85 117.44 109.49 2dj1 n TRP 45 Ca -0.01 -0.17 -0.35 0.00 -3.89 0.00 0.00 57.50 53.08 2dj1 n TRP 45 Cb 0.47 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.33 2dj1 n TRP 45 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2dj1 n GLY 47 N 2.55 -1.21 0.35 0.00 0.00 -1.26 -4.09 105.19 101.53 2dj1 n GLY 47 Ca -0.18 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 45.75 2dj1 n GLY 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2dj1 h HIS 48 N 0.00 0.57 0.00 1.61 3.86 -1.94 -0.05 115.15 119.20 2dj1 h HIS 48 Ca -0.15 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.02 2dj1 h HIS 48 Cb 1.49 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.77 2dj1 h HIS 48 CO 0.00 0.29 -0.24 0.00 0.86 0.00 0.00 177.93 178.85 2dj1 h LYS 50 N 0.00 0.71 0.01 0.00 1.57 -1.20 0.94 116.57 118.60 2dj1 h LYS 50 Ca -0.00 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.50 2dj1 h LYS 50 Cb 0.42 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2dj1 h LYS 50 CO 0.03 0.47 -0.97 1.96 -0.57 0.00 0.00 179.45 180.38 2dj1 h GLN 51 N 0.73 0.42 0.00 3.15 4.20 -1.53 -3.17 115.11 118.92 2dj1 h GLN 51 Ca 0.37 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2dj1 h GLN 51 Cb 0.44 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2dj1 h GLN 51 CO -0.14 1.13 -0.14 0.35 -0.67 0.00 0.00 178.83 179.36 2dj1 h PHE 52 N 0.23 0.00 -0.21 2.96 3.57 -1.17 -3.33 116.94 119.00 2dj1 h PHE 52 Ca -0.09 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.45 2dj1 h PHE 52 Cb 1.61 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 40.28 2dj1 h PHE 52 CO 0.06 0.00 -0.51 0.00 -2.23 0.00 0.00 178.31 175.63 2dj1 h ALA 53 N 2.36 -0.83 -0.36 2.41 0.00 0.91 0.28 119.26 124.02 2dj1 h ALA 53 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2dj1 h ALA 53 Cb 0.82 1.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 2dj1 h ALA 53 CO 0.00 -1.03 -0.39 -1.00 0.00 0.00 0.00 179.25 176.82 2dj1 h PRO 54 N -0.49 0.87 -0.83 0.00 0.13 -1.75 -3.05 132.00 126.89 2dj1 h PRO 54 Ca 0.04 -0.46 0.05 0.00 -0.87 0.00 0.00 66.00 64.77 2dj1 h PRO 54 Cb 0.61 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.70 2dj1 h PRO 54 CO -0.46 1.10 0.52 1.49 -0.23 0.00 0.00 178.00 180.43 2dj1 h GLU 55 N 0.71 0.94 0.69 0.86 4.81 -1.56 -2.93 114.58 118.10 2dj1 h GLU 55 Ca 0.06 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2dj1 h GLU 55 Cb 0.97 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 30.15 2dj1 h GLU 55 CO 0.09 0.62 -0.33 -0.92 -0.73 0.00 0.00 179.01 177.74 2dj1 h TYR 56 N 0.96 -0.86 -0.88 0.92 3.20 -0.42 -3.03 116.97 116.86 2dj1 h TYR 56 Ca 0.36 -0.02 0.23 0.00 3.14 0.00 0.00 58.73 62.44 2dj1 h TYR 56 Cb 0.13 0.29 -0.16 0.00 1.54 0.00 0.00 36.73 38.52 2dj1 h TYR 56 CO -0.03 -0.51 -0.01 0.39 -1.64 0.00 0.00 178.16 176.36 2dj1 n GLU 57 N -5.45 -0.07 -0.18 1.82 1.02 -1.12 0.14 120.64 116.80 2dj1 n GLU 57 Ca -0.13 1.32 -0.01 0.00 -0.02 0.00 0.00 57.16 58.31 2dj1 n GLU 57 Cb 0.39 -2.08 0.08 0.00 -0.02 0.00 0.00 31.44 29.81 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 0.25 -0.38 3.49 1.57 -1.40 -1.83 116.57 118.27 2dj1 h LYS 58 Ca 0.52 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2dj1 h LYS 58 Cb 1.05 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 2dj1 h LYS 58 CO -0.83 0.17 0.23 0.82 -0.57 0.00 0.00 179.45 179.27 2dj1 h ILE 59 N 0.26 1.12 -0.54 1.86 2.04 0.12 -2.94 117.51 119.43 2dj1 h ILE 59 Ca 0.28 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.91 2dj1 h ILE 59 Cb 0.39 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 37.01 2dj1 h ILE 59 CO -0.35 0.12 -0.38 0.00 0.00 0.00 0.00 178.15 177.54 2dj1 h ALA 60 N 1.10 -0.42 -0.14 1.87 0.00 -0.60 0.81 119.26 121.89 2dj1 h ALA 60 Ca 0.14 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.15 2dj1 h ALA 60 Cb -0.00 1.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 2dj1 h ALA 60 CO -0.03 -0.67 -0.34 1.03 0.00 0.00 0.00 179.25 179.25 2dj1 h SER 61 N -0.07 -1.06 -0.30 0.00 0.87 -1.50 0.53 113.55 112.03 2dj1 h SER 61 Ca 0.09 0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.84 2dj1 h SER 61 Cb 0.30 0.45 -0.06 0.00 -0.44 0.00 0.00 62.40 62.64 2dj1 h SER 61 CO -0.55 -0.37 -0.41 0.74 -0.53 0.00 0.00 176.83 175.71 2dj1 h THR 62 N -0.41 0.00 0.00 2.23 2.02 -1.06 0.22 112.91 115.91 2dj1 h THR 62 Ca 0.09 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 2dj1 h THR 62 Cb 0.56 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2dj1 h THR 62 CO -0.37 0.00 -0.07 -0.07 0.37 0.00 0.00 175.52 175.39 2dj1 h LEU 63 N -0.30 0.00 0.24 2.58 3.38 -0.61 -3.01 115.31 117.59 2dj1 h LEU 63 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2dj1 h LEU 63 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2dj1 h LEU 63 CO -0.44 0.07 -0.28 0.50 0.09 0.00 0.00 178.44 178.38 2dj1 h LYS 64 N 0.00 -0.51 -1.15 1.13 3.64 0.34 -2.17 116.57 117.84 2dj1 h LYS 64 Ca -0.00 0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.19 2dj1 h LYS 64 Cb 0.17 0.12 -0.12 0.00 -0.41 0.00 0.00 32.23 31.99 2dj1 h LYS 64 CO 0.01 -0.34 0.29 -3.47 -2.27 0.00 0.00 179.45 173.67 2dj1 n ASP 65 N -4.06 4.08 -4.95 4.20 -0.08 -0.92 -4.07 116.55 110.75 2dj1 n ASP 65 Ca -0.06 -2.73 -0.23 0.00 -1.51 0.00 0.00 54.79 50.26 2dj1 n ASP 65 Cb 0.25 -0.75 0.04 0.00 2.34 0.00 0.00 41.12 43.00 2dj1 n ASP 65 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2dj1 s ASN 66 N 0.18 5.27 -0.21 1.67 2.47 -0.87 -4.97 114.94 118.48 2dj1 s ASN 66 Ca 0.24 0.24 0.01 0.00 0.42 0.00 0.00 52.86 53.77 2dj1 s ASN 66 Cb 0.20 -1.13 0.05 0.00 -1.45 0.00 0.00 41.25 38.92 2dj1 s ASN 66 CO 0.03 -1.19 -0.10 -0.62 -3.72 0.00 0.00 177.10 171.49 2dj1 s ASP 67 N -4.41 3.59 0.94 -4.21 -1.08 -1.26 -0.60 116.67 109.64 2dj1 s ASP 67 Ca 0.56 -0.98 -0.12 0.00 -0.52 0.00 0.00 52.55 51.49 2dj1 s ASP 67 Cb -0.10 -1.28 0.15 0.00 -1.46 0.00 0.00 42.92 40.22 2dj1 s ASP 67 CO 0.41 -0.15 1.09 -2.16 0.52 0.00 0.00 175.17 174.88 2dj1 s PRO 68 N 1.35 0.94 -0.69 4.34 0.04 -1.26 -4.97 135.00 134.75 2dj1 s PRO 68 Ca -0.03 0.71 -0.26 0.00 0.04 0.00 0.00 61.00 61.46 2dj1 s PRO 68 Cb -0.17 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 2dj1 s PRO 68 CO -0.08 -2.43 1.89 -1.25 0.04 0.00 0.00 177.00 175.16 2dj1 s PRO 69 N -4.94 2.60 0.39 0.56 0.04 0.24 -4.98 135.00 128.91 2dj1 s PRO 69 Ca 0.64 0.38 -0.11 0.00 0.04 0.00 0.00 61.00 61.95 2dj1 s PRO 69 Cb -0.18 -4.56 -0.07 0.00 0.04 0.00 0.00 34.50 29.73 2dj1 s PRO 69 CO 0.57 -2.90 0.75 0.42 0.04 0.00 0.00 177.00 175.88 2dj1 s ILE 70 N 9.35 4.79 -0.21 0.56 1.01 -0.91 -4.97 121.20 130.82 2dj1 s ILE 70 Ca 0.68 0.63 0.02 0.00 0.00 0.00 0.00 60.65 61.97 2dj1 s ILE 70 Cb -0.11 -3.72 0.04 0.00 0.01 0.00 0.00 42.46 38.68 2dj1 s ILE 70 CO 0.15 -0.47 -0.15 0.00 0.00 0.00 0.00 174.94 174.47 2dj1 s ALA 71 N -2.31 2.30 0.16 9.38 0.00 -1.26 -3.62 121.76 126.40 2dj1 s ALA 71 Ca 0.51 -1.36 -0.18 0.00 0.00 0.00 0.00 51.96 50.93 2dj1 s ALA 71 Cb -0.10 -1.32 -0.07 0.00 0.00 0.00 0.00 23.12 21.62 2dj1 s ALA 71 CO 0.30 -0.71 0.64 0.08 0.00 0.00 0.00 175.76 176.06 2dj1 s VAL 72 N 1.27 4.68 0.03 0.00 1.01 -1.26 -2.04 120.40 124.09 2dj1 s VAL 72 Ca -0.01 1.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.95 2dj1 s VAL 72 Cb -0.16 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.40 2dj1 s VAL 72 CO -0.09 0.33 0.43 0.00 0.00 0.00 0.00 175.10 175.77 2dj1 s ALA 73 N -1.37 -1.07 0.16 5.51 0.00 -0.68 -1.45 121.76 122.85 2dj1 s ALA 73 Ca 0.37 0.41 0.09 0.00 0.00 0.00 0.00 51.96 52.83 2dj1 s ALA 73 Cb -0.17 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2dj1 s ALA 73 CO 0.20 -0.44 -0.16 -1.59 0.00 0.00 0.00 175.76 173.77 2dj1 s LYS 74 N -2.30 1.84 -0.02 0.00 -2.85 0.43 -1.75 119.74 115.10 2dj1 s LYS 74 Ca -0.06 -1.29 0.01 0.00 -1.00 0.00 0.00 55.97 53.63 2dj1 s LYS 74 Cb -0.01 -2.08 0.01 0.00 -2.06 0.00 0.00 37.83 33.69 2dj1 s LYS 74 CO -0.01 0.44 -0.03 0.42 0.10 0.00 0.00 175.35 176.28 2dj1 s ILE 75 N -1.48 0.29 -1.07 3.79 1.01 0.00 -2.95 121.20 120.80 2dj1 s ILE 75 Ca 0.21 -0.07 -0.17 0.00 0.00 0.00 0.00 60.65 60.62 2dj1 s ILE 75 Cb -0.09 -0.30 0.14 0.00 0.01 0.00 0.00 42.46 42.21 2dj1 s ILE 75 CO 0.12 0.12 1.31 1.51 0.00 0.00 0.00 174.94 178.00 2dj1 s ASP 76 N 0.41 6.81 0.28 3.58 1.47 -1.26 -2.67 116.67 125.30 2dj1 s ASP 76 Ca -0.04 -2.41 -0.02 0.00 1.18 0.00 0.00 52.55 51.25 2dj1 s ASP 76 Cb -0.07 -2.42 0.61 0.00 -0.34 0.00 0.00 42.92 40.69 2dj1 s ASP 76 CO -0.01 -0.97 1.47 0.00 0.68 0.00 0.00 175.17 176.35 2dj1 n ALA 77 N 6.44 0.38 -0.32 2.11 0.00 -1.25 0.12 120.51 127.99 2dj1 n ALA 77 Ca 0.31 1.02 0.19 0.00 0.00 0.00 0.00 53.44 54.96 2dj1 n ALA 77 Cb 0.46 -0.69 0.39 0.00 0.00 0.00 0.00 19.45 19.61 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 0.35 0.23 0.00 1.35 -1.90 0.12 112.91 113.06 2dj1 h THR 78 Ca 0.52 -0.11 -0.33 0.00 -0.55 0.00 0.00 66.41 65.94 2dj1 h THR 78 Cb 0.99 -0.00 0.03 0.00 -1.73 0.00 0.00 68.15 67.43 2dj1 h THR 78 CO -0.92 0.06 -1.54 -1.28 -0.25 0.00 0.00 175.52 171.59 2dj1 h SER 79 N 0.32 0.74 -3.08 5.36 0.87 0.46 -3.42 113.55 114.80 2dj1 h SER 79 Ca 0.65 -0.93 -0.70 0.00 -1.23 0.00 0.00 61.79 59.58 2dj1 h SER 79 Cb 1.38 -0.24 -0.20 0.00 -0.44 0.00 0.00 62.40 62.90 2dj1 h SER 79 CO -0.60 1.73 0.02 0.00 -0.53 0.00 0.00 176.83 177.45 2dj1 s ALA 80 N -2.58 3.43 -0.11 6.23 0.00 0.03 -4.92 121.76 123.85 2dj1 s ALA 80 Ca -0.12 -2.06 -0.05 0.00 0.00 0.00 0.00 51.96 49.73 2dj1 s ALA 80 Cb 0.04 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2dj1 s ALA 80 CO 0.91 -2.14 0.10 1.03 0.00 0.00 0.00 175.76 175.65 2dj1 h SER 81 N 9.05 0.00 -0.36 0.00 0.87 -1.82 -2.87 113.55 118.43 2dj1 h SER 81 Ca -0.29 -0.15 0.07 0.00 -1.23 0.00 0.00 61.79 60.19 2dj1 h SER 81 Cb 1.09 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.97 2dj1 h SER 81 CO 1.03 0.60 -0.42 -0.03 -0.53 0.00 0.00 176.83 177.48 2dj1 h MET 82 N -1.00 -0.34 -0.13 2.24 1.85 -1.92 -0.99 114.93 114.64 2dj1 h MET 82 Ca -0.00 0.02 0.03 0.00 -0.61 0.00 0.00 59.70 59.14 2dj1 h MET 82 Cb 0.19 0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.26 2dj1 h MET 82 CO -0.00 -0.22 -0.09 -0.07 -0.40 0.00 0.00 176.91 176.12 2dj1 h LEU 83 N -0.35 -0.29 -0.73 3.39 3.38 -1.96 -1.64 115.31 117.12 2dj1 h LEU 83 Ca 0.13 0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.32 2dj1 h LEU 83 Cb 0.59 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.36 2dj1 h LEU 83 CO -0.54 -0.12 -0.03 0.00 0.09 0.00 0.00 178.44 177.84 2dj1 h ALA 84 N 1.00 0.70 -0.57 1.53 0.00 -1.09 0.21 119.26 121.04 2dj1 h ALA 84 Ca 0.08 0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 2dj1 h ALA 84 Cb 0.21 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2dj1 h ALA 84 CO -0.19 -0.42 0.10 1.03 0.00 0.00 0.00 179.25 179.78 2dj1 h SER 85 N 0.08 0.87 -0.47 0.00 0.87 -0.69 0.18 113.55 114.39 2dj1 h SER 85 Ca 0.39 -0.18 0.07 0.00 -1.23 0.00 0.00 61.79 60.84 2dj1 h SER 85 Cb 0.66 -0.23 -0.10 0.00 -0.44 0.00 0.00 62.40 62.30 2dj1 h SER 85 CO -0.66 0.87 -0.44 0.50 -0.53 0.00 0.00 176.83 176.57 2dj1 h LYS 86 N 0.87 -0.29 -1.03 2.24 3.64 0.35 0.18 116.57 122.54 2dj1 h LYS 86 Ca 0.18 0.02 -0.38 0.00 -1.27 0.00 0.00 60.65 59.20 2dj1 h LYS 86 Cb 0.37 0.07 -0.22 0.00 -0.41 0.00 0.00 32.23 32.04 2dj1 h LYS 86 CO 0.01 -0.19 0.48 1.19 -2.27 0.00 0.00 179.45 178.67 2dj1 n PHE 87 N -5.41 2.18 -3.83 1.91 3.01 -1.11 -4.88 117.46 109.34 2dj1 n PHE 87 Ca -0.00 -1.55 -0.31 0.00 1.01 0.00 0.00 57.45 56.60 2dj1 n PHE 87 Cb 0.35 -0.78 -0.06 0.00 -0.01 0.00 0.00 39.48 38.97 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 -0.62 -0.98 -4.55 4.37 -0.08 0.64 -4.69 116.55 110.63 2dj1 n ASP 88 Ca 0.42 -0.95 -0.28 0.00 -1.51 0.00 0.00 54.79 52.47 2dj1 n ASP 88 Cb 1.26 -1.21 -0.05 0.00 2.34 0.00 0.00 41.12 43.47 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 -2.97 3.15 -0.36 5.18 1.01 0.61 -4.77 120.40 122.26 2dj1 s VAL 89 Ca 0.51 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.53 2dj1 s VAL 89 Cb -0.30 -3.37 0.45 0.00 0.00 0.00 0.00 36.38 33.16 2dj1 s VAL 89 CO 0.78 -0.35 1.22 -0.24 0.00 0.00 0.00 175.10 176.51 2dj1 n SER 90 N 15.84 5.05 0.00 3.32 2.88 -1.26 -4.83 113.62 134.62 2dj1 n SER 90 Ca 0.37 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 54.17 2dj1 n SER 90 Cb 0.49 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 -0.65 0.79 3.56 0.46 0.00 -1.26 -5.18 105.19 102.91 2dj1 n GLY 91 Ca 0.44 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.70 0.72 1.61 1.51 -1.26 -4.25 117.35 112.98 2dj1 s TYR 92 Ca 0.00 1.39 -0.12 0.00 -1.01 0.00 0.00 57.07 57.33 2dj1 s TYR 92 Cb 0.00 0.36 0.03 0.00 -0.11 0.00 0.00 41.96 42.24 2dj1 s TYR 92 CO 0.00 -0.53 1.10 -1.25 -1.11 0.00 0.00 175.55 173.76 2dj1 s PRO 93 N -0.66 2.49 -0.13 -1.71 0.04 -1.26 -4.97 135.00 128.81 2dj1 s PRO 93 Ca -0.07 1.27 -0.04 0.00 0.04 0.00 0.00 61.00 62.20 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 0.07 -1.47 0.17 0.99 0.04 0.00 0.00 177.00 176.80 2dj1 s THR 94 N -2.65 -0.26 -0.14 1.26 2.01 -0.98 -5.03 115.64 109.84 2dj1 s THR 94 Ca 0.64 0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.75 2dj1 s THR 94 Cb -0.19 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 2dj1 s THR 94 CO 0.50 0.01 0.08 -0.63 -0.69 0.00 0.00 174.62 173.88 2dj1 s ILE 95 N 2.29 4.97 0.14 1.82 1.01 -1.26 -0.36 121.20 129.80 2dj1 s ILE 95 Ca 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.70 2dj1 s ILE 95 Cb -0.13 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 2dj1 s ILE 95 CO -0.08 0.55 0.03 -0.54 0.00 0.00 0.00 174.94 174.90 2dj1 s LYS 96 N -0.41 0.95 -0.02 2.79 -0.14 0.70 -3.83 119.74 119.78 2dj1 s LYS 96 Ca 0.10 -1.45 0.05 0.00 -1.36 0.00 0.00 55.97 53.31 2dj1 s LYS 96 Cb -0.12 0.08 -0.01 0.00 -1.68 0.00 0.00 37.83 36.11 2dj1 s LYS 96 CO 0.02 -0.21 -0.16 0.42 -0.76 0.00 0.00 175.35 174.66 2dj1 s ILE 97 N -3.92 1.25 -0.29 2.17 1.01 -1.19 -1.31 121.20 118.92 2dj1 s ILE 97 Ca 0.22 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 2dj1 s ILE 97 Cb 0.07 -1.05 0.03 0.00 0.01 0.00 0.00 42.46 41.52 2dj1 s ILE 97 CO 0.01 0.36 0.03 -0.22 0.00 0.00 0.00 174.94 175.12 2dj1 s LEU 98 N -0.28 3.79 -0.40 2.97 2.96 -0.57 -1.06 118.68 126.09 2dj1 s LEU 98 Ca 0.04 -0.96 -0.06 0.00 -0.22 0.00 0.00 54.13 52.93 2dj1 s LEU 98 Cb -0.07 -1.79 0.09 0.00 0.50 0.00 0.00 46.19 44.92 2dj1 s LEU 98 CO -0.00 -0.22 0.21 -0.75 -1.32 0.00 0.00 176.35 174.27 2dj1 s LYS 99 N 1.38 2.37 -0.72 1.98 2.47 -0.60 -1.89 119.74 124.73 2dj1 s LYS 99 Ca -0.01 -1.57 0.00 0.00 -1.56 0.00 0.00 55.97 52.83 2dj1 s LYS 99 Cb -0.18 -3.64 0.00 0.00 -1.46 0.00 0.00 37.83 32.55 2dj1 s LYS 99 CO 0.00 -0.96 0.00 1.63 0.16 0.00 0.00 175.35 176.18 2dj1 n LYS 100 N 4.77 -2.21 -0.10 4.03 5.02 -0.58 0.93 118.16 130.01 2dj1 n LYS 100 Ca -0.08 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2dj1 n LYS 100 Cb 0.42 -4.88 0.00 0.00 -0.02 0.00 0.00 35.03 30.55 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 -0.58 0.94 3.23 0.72 0.00 -1.26 -5.07 105.19 103.16 2dj1 n GLY 101 Ca -0.09 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.36 2.59 -0.20 1.61 -0.21 0.26 -5.07 119.66 118.28 2dj1 s GLN 102 Ca 0.00 -1.17 -0.29 0.00 0.02 0.00 0.00 55.36 53.92 2dj1 s GLN 102 Cb 0.00 -3.28 -0.03 0.00 1.00 0.00 0.00 33.01 30.70 2dj1 s GLN 102 CO 0.00 -0.60 1.68 0.00 -2.12 0.00 0.00 175.29 174.25 2dj1 s ALA 103 N 1.33 3.26 -0.56 6.09 0.00 -1.26 -1.56 121.76 129.05 2dj1 s ALA 103 Ca -0.03 0.55 -0.06 0.00 0.00 0.00 0.00 51.96 52.42 2dj1 s ALA 103 Cb -0.19 -3.87 0.15 0.00 0.00 0.00 0.00 23.12 19.21 2dj1 s ALA 103 CO 0.00 -1.98 0.41 0.08 0.00 0.00 0.00 175.76 174.27 2dj1 s VAL 104 N 5.37 4.07 -0.20 0.00 1.01 -0.22 -5.01 120.40 125.41 2dj1 s VAL 104 Ca 0.75 -2.35 -0.36 0.00 0.00 0.00 0.00 61.98 60.02 2dj1 s VAL 104 Cb -0.27 -3.66 -0.12 0.00 0.00 0.00 0.00 36.38 32.33 2dj1 s VAL 104 CO 0.30 -0.83 1.93 -0.90 0.00 0.00 0.00 175.10 175.60 2dj1 n ASP 105 N 4.22 2.89 -4.57 3.32 5.68 -1.26 -3.17 116.55 123.65 2dj1 n ASP 105 Ca 0.02 0.84 -0.42 0.00 -0.50 0.00 0.00 54.79 54.73 2dj1 n ASP 105 Cb 0.41 -1.30 -0.03 0.00 -1.14 0.00 0.00 41.12 39.07 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 4.84 2.49 -0.70 2.11 5.04 -1.25 -4.96 117.35 124.92 2dj1 s TYR 106 Ca 0.98 0.31 -0.10 0.00 -2.44 0.00 0.00 57.07 55.82 2dj1 s TYR 106 Cb -0.81 -4.53 0.18 0.00 0.35 0.00 0.00 41.96 37.15 2dj1 s TYR 106 CO 0.54 -1.75 0.59 -0.51 -1.34 0.00 0.00 175.55 173.09 2dj1 s ASP 107 N 3.30 6.07 0.03 4.32 1.01 -1.26 -4.90 116.67 125.23 2dj1 s ASP 107 Ca 0.42 -2.62 -0.23 0.00 0.71 0.00 0.00 52.55 50.83 2dj1 s ASP 107 Cb -0.08 -2.06 0.08 0.00 1.01 0.00 0.00 42.92 41.87 2dj1 s ASP 107 CO 0.23 -0.53 1.05 0.61 0.21 0.00 0.00 175.17 176.74 2dj1 n GLY 108 N 3.96 0.38 3.79 0.21 0.00 -1.26 -5.16 105.19 107.12 2dj1 n GLY 108 Ca 0.08 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 2dj1 n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dj1 s SER 109 N -3.37 6.72 -1.23 1.61 0.15 -1.26 -4.95 113.70 111.37 2dj1 s SER 109 Ca 0.24 1.93 -0.20 0.00 0.70 0.00 0.00 55.95 58.62 2dj1 s SER 109 Cb -0.01 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.77 2dj1 s SER 109 CO 0.01 -0.52 1.72 -0.13 1.20 0.00 0.00 173.24 175.52 2dj1 s ARG 110 N -2.80 3.70 0.05 5.44 0.52 -1.26 -4.46 118.95 120.15 2dj1 s ARG 110 Ca 0.61 -1.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.12 2dj1 s ARG 110 Cb -0.18 -5.46 -0.03 0.00 0.52 0.00 0.00 34.95 29.80 2dj1 s ARG 110 CO 0.22 -2.49 -0.05 0.95 0.02 0.00 0.00 175.30 173.95 2dj1 s THR 111 N 5.35 0.39 0.16 0.02 -4.23 -1.26 -5.03 115.64 111.04 2dj1 s THR 111 Ca 0.55 -1.47 -0.12 0.00 -1.18 0.00 0.00 61.69 59.47 2dj1 s THR 111 Cb 0.02 -1.07 0.03 0.00 1.34 0.00 0.00 72.50 72.82 2dj1 s THR 111 CO 0.05 -0.71 1.62 1.56 -0.54 0.00 0.00 174.62 176.60 2dj1 h GLN 112 N 3.75 0.91 -0.80 3.99 7.50 -1.92 0.19 115.11 128.73 2dj1 h GLN 112 Ca -0.34 -0.27 -0.04 0.00 0.50 0.00 0.00 58.65 58.50 2dj1 h GLN 112 Cb 1.18 -0.09 -0.04 0.00 0.05 0.00 0.00 27.48 28.58 2dj1 h GLN 112 CO 0.54 0.91 0.36 1.05 -1.50 0.00 0.00 178.83 180.19 2dj1 h GLU 113 N 0.78 1.16 0.05 1.46 4.11 -1.97 -1.55 114.58 118.63 2dj1 h GLU 113 Ca 0.15 -0.19 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 2dj1 h GLU 113 Cb 0.48 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2dj1 h GLU 113 CO 0.02 0.92 -0.02 0.93 0.07 0.00 0.00 179.01 180.93 2dj1 h GLU 114 N 1.14 -0.06 -0.98 1.06 4.39 -1.83 -1.69 114.58 116.60 2dj1 h GLU 114 Ca 0.27 0.00 0.27 0.00 0.34 0.00 0.00 59.36 60.25 2dj1 h GLU 114 Cb 0.16 0.01 -0.18 0.00 -0.10 0.00 0.00 28.75 28.64 2dj1 h GLU 114 CO -0.03 -0.04 0.04 0.82 -1.16 0.00 0.00 179.01 178.64 2dj1 h ILE 115 N -0.32 0.03 -0.30 3.13 2.04 -0.71 0.64 117.51 122.02 2dj1 h ILE 115 Ca -0.01 -0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.72 2dj1 h ILE 115 Cb 0.05 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.14 2dj1 h ILE 115 CO 0.01 0.00 -0.30 0.58 0.00 0.00 0.00 178.15 178.45 2dj1 h VAL 116 N 0.01 1.30 -0.31 1.67 2.07 -1.41 -1.78 116.25 117.79 2dj1 h VAL 116 Ca 0.60 -1.47 0.04 0.00 0.82 0.00 0.00 66.70 66.69 2dj1 h VAL 116 Cb 1.24 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 32.52 2dj1 h VAL 116 CO -0.91 0.47 0.07 0.00 0.02 0.00 0.00 177.57 177.23 2dj1 h ALA 117 N 0.71 0.34 0.41 1.67 0.00 0.11 0.75 119.26 123.25 2dj1 h ALA 117 Ca 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2dj1 h ALA 117 Cb 0.87 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2dj1 h ALA 117 CO 0.07 -0.33 -0.20 -0.22 0.00 0.00 0.00 179.25 178.58 2dj1 h LYS 118 N 0.19 -0.53 -1.29 0.00 1.63 -0.85 -1.00 116.57 114.72 2dj1 h LYS 118 Ca 0.14 0.04 0.37 0.00 -0.85 0.00 0.00 60.65 60.35 2dj1 h LYS 118 Cb 0.15 0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 31.83 2dj1 h LYS 118 CO -0.18 -0.35 0.92 0.28 -3.45 0.00 0.00 179.45 176.66 2dj1 h VAL 119 N -0.76 0.34 -0.01 2.00 2.07 -1.33 0.33 116.25 118.90 2dj1 h VAL 119 Ca -0.06 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2dj1 h VAL 119 Cb 0.42 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2dj1 h VAL 119 CO 0.09 0.01 -0.09 0.03 0.02 0.00 0.00 177.57 177.63 2dj1 h ARG 120 N 0.05 0.07 -0.52 1.57 3.08 -0.77 -1.79 114.38 116.08 2dj1 h ARG 120 Ca 0.64 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.57 2dj1 h ARG 120 Cb 2.42 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 32.46 2dj1 h ARG 120 CO -0.07 0.80 0.10 1.05 -1.07 0.00 0.00 179.97 180.78 2dj1 h GLU 121 N -0.64 0.81 0.28 0.04 4.11 0.67 -3.16 114.58 116.70 2dj1 h GLU 121 Ca -0.01 -0.18 -0.01 0.00 0.07 0.00 0.00 59.36 59.23 2dj1 h GLU 121 Cb 0.83 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2dj1 h GLU 121 CO 0.02 0.75 -0.14 0.28 0.07 0.00 0.00 179.01 180.00 2dj1 h VAL 122 N 0.78 0.67 -1.49 -1.06 2.07 -0.57 -3.13 116.25 113.51 2dj1 h VAL 122 Ca 0.17 -0.76 0.50 0.00 0.82 0.00 0.00 66.70 67.42 2dj1 h VAL 122 Cb 0.33 1.02 -0.13 0.00 -1.52 0.00 0.00 31.29 30.99 2dj1 h VAL 122 CO 0.00 0.14 0.99 -1.54 0.02 0.00 0.00 177.57 177.18 2dj1 n SER 123 N -5.07 0.17 -4.63 0.57 3.41 -0.67 -4.49 113.62 102.90 2dj1 n SER 123 Ca -0.09 1.30 -0.42 0.00 -0.26 0.00 0.00 58.87 59.40 2dj1 n SER 123 Cb 0.27 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 2dj1 n SER 123 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dj1 n GLN 124 N -4.55 1.57 0.21 4.33 1.13 -1.18 -4.87 117.38 114.02 2dj1 n GLN 124 Ca 0.41 0.56 0.08 0.00 -1.94 0.00 0.00 57.00 56.11 2dj1 n GLN 124 Cb 1.65 -2.09 0.46 0.00 0.11 0.00 0.00 30.24 30.38 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 1.90 0.00 0.02 -1.09 0.13 -1.89 -3.09 132.00 127.98 2dj1 h PRO 125 Ca -0.44 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.45 2dj1 h PRO 125 Cb 1.32 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.47 2dj1 h PRO 125 CO 0.59 0.27 -0.97 -0.44 -0.23 0.00 0.00 178.00 177.23 2dj1 h ASP 126 N 0.00 0.82 -2.60 1.44 3.32 -1.89 -3.45 116.42 114.06 2dj1 h ASP 126 Ca -0.00 -0.76 -0.60 0.00 0.02 0.00 0.00 57.03 55.69 2dj1 h ASP 126 Cb 0.70 -0.25 0.13 0.00 0.22 0.00 0.00 39.33 40.12 2dj1 h ASP 126 CO 0.04 1.48 0.00 1.87 -1.72 0.00 0.00 179.24 180.91 2dj1 n TRP 127 N -3.93 0.80 -4.07 4.55 -0.00 -1.17 -5.00 117.44 108.62 2dj1 n TRP 127 Ca -0.11 0.64 -0.10 0.00 -0.00 0.00 0.00 57.50 57.92 2dj1 n TRP 127 Cb 0.85 -2.18 -0.11 0.00 -0.00 0.00 0.00 31.31 29.87 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 -1.22 0.41 0.40 5.87 -4.23 -1.26 -4.97 115.64 110.64 2dj1 s THR 128 Ca 0.61 -1.35 -0.25 0.00 -1.18 0.00 0.00 61.69 59.52 2dj1 s THR 128 Cb -0.64 -0.91 -0.08 0.00 1.34 0.00 0.00 72.50 72.21 2dj1 s THR 128 CO 0.58 -0.62 1.19 -2.16 -0.54 0.00 0.00 174.62 173.07 2dj1 s PRO 129 N -2.43 4.05 0.81 3.99 0.04 -1.26 -5.02 135.00 135.17 2dj1 s PRO 129 Ca -0.04 1.90 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 2dj1 s PRO 129 Cb -0.04 -2.70 0.08 0.00 0.04 0.00 0.00 34.50 31.88 2dj1 s PRO 129 CO -0.03 -0.34 1.09 -1.25 0.04 0.00 0.00 177.00 176.52 2dj1 s PRO 130 N -2.26 1.97 0.00 0.56 0.04 -1.26 -4.90 135.00 129.15 2dj1 s PRO 130 Ca 0.57 1.07 0.14 0.00 0.04 0.00 0.00 61.00 62.81 2dj1 s PRO 130 Cb -0.32 -1.87 0.82 0.00 0.04 0.00 0.00 34.50 33.17 2dj1 s PRO 130 CO 0.41 -1.81 1.24 -0.35 0.04 0.00 0.00 177.00 176.52 2dj1 n PRO 131 N -3.63 0.49 -2.55 0.56 -0.04 -1.26 -4.50 135.00 124.07 2dj1 n PRO 131 Ca 0.08 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 2dj1 n PRO 131 Cb 0.54 -1.44 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 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 3.79 -0.09 0.54 2.56 -1.26 -4.97 118.70 117.28 2dj1 s GLU 132 Ca 0.21 -1.64 -0.14 0.00 0.00 0.00 0.00 54.97 53.40 2dj1 s GLU 132 Cb 0.09 -5.46 -0.05 0.00 2.00 0.00 0.00 34.13 30.71 2dj1 s GLU 132 CO 0.16 -2.30 0.33 0.54 -0.56 0.00 0.00 175.26 173.43 2dj1 s VAL 133 N 4.75 5.22 0.46 3.70 0.11 -1.26 -5.04 120.40 128.33 2dj1 s VAL 133 Ca 0.52 0.65 -0.21 0.00 -2.93 0.00 0.00 61.98 60.00 2dj1 s VAL 133 Cb 0.02 -3.65 -0.11 0.00 -1.53 0.00 0.00 36.38 31.11 2dj1 s VAL 133 CO 0.01 0.50 0.60 1.07 -3.33 0.00 0.00 175.10 173.95 2dj1 n THR 134 N 2.63 1.97 -0.14 5.04 5.66 -1.26 -4.95 114.28 123.23 2dj1 n THR 134 Ca -0.14 -0.50 -0.29 0.00 -3.05 0.00 0.00 64.05 60.08 2dj1 n THR 134 Cb 0.53 -0.65 -0.10 0.00 -1.55 0.00 0.00 70.33 68.55 2dj1 n THR 134 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2dj1 n SER 135 N 0.99 1.96 -4.22 1.09 2.88 -1.26 -5.01 113.62 110.05 2dj1 n SER 135 Ca 0.11 0.31 -0.34 0.00 -1.33 0.00 0.00 58.87 57.62 2dj1 n SER 135 Cb 0.41 -0.79 0.13 0.00 -0.75 0.00 0.00 64.21 63.21 2dj1 n SER 135 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj1 n GLY 136 N 1.33 -2.68 3.66 0.46 0.00 -1.26 -4.96 105.19 101.74 2dj1 n GLY 136 Ca -0.54 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.08 0.18 -0.08 1.61 0.04 -1.26 -5.03 135.00 127.38 2dj1 s PRO 137 Ca 0.51 0.44 -0.02 0.00 0.04 0.00 0.00 61.00 61.97 2dj1 s PRO 137 Cb -0.09 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 2dj1 s PRO 137 CO 0.68 -2.88 -0.09 0.45 0.04 0.00 0.00 177.00 175.19 2dj1 n SER 138 N -4.27 1.62 -4.80 6.66 2.88 -1.26 -5.05 113.62 109.40 2dj1 n SER 138 Ca 0.05 0.05 -0.31 0.00 -1.33 0.00 0.00 58.87 57.33 2dj1 n SER 138 Cb 0.58 -0.19 0.07 0.00 -0.75 0.00 0.00 64.21 63.91 2dj1 n SER 138 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dj1 s SER 139 N -5.36 4.95 0.00 -3.46 1.04 -1.26 -5.11 113.70 104.50 2dj1 s SER 139 Ca -0.11 1.59 0.00 0.00 0.48 0.00 0.00 55.95 57.91 2dj1 s SER 139 Cb 0.04 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2dj1 s SER 139 CO 0.15 -1.71 0.00 0.61 0.98 0.00 0.00 173.24 173.27