#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 6.17 -0.24 1.61 0.15 -1.26 -5.04 113.70 115.09 2dj1 s SER 2 Ca 0.00 -2.61 -0.08 0.00 0.70 0.00 0.00 55.95 53.96 2dj1 s SER 2 Cb 0.00 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.19 2dj1 s SER 2 CO 0.00 -0.54 0.09 -0.94 1.20 0.00 0.00 173.24 173.05 2dj1 s SER 3 N 1.86 5.42 0.00 5.45 1.04 -1.26 -4.88 113.70 121.33 2dj1 s SER 3 Ca 0.15 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2dj1 s SER 3 Cb -0.16 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 63.99 2dj1 s SER 3 CO -0.06 0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.78 2dj1 n GLY 4 N 4.66 0.18 2.78 7.32 0.00 -1.26 -5.16 105.19 113.71 2dj1 n GLY 4 Ca -0.16 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 2dj1 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dj1 s SER 5 N 0.00 1.44 0.05 1.61 0.15 -1.26 -5.13 113.70 110.56 2dj1 s SER 5 Ca 0.00 -0.08 -0.28 0.00 0.70 0.00 0.00 55.95 56.29 2dj1 s SER 5 Cb 0.00 -0.42 0.09 0.00 -1.71 0.00 0.00 66.02 63.99 2dj1 s SER 5 CO 0.00 -0.18 1.07 -0.55 1.20 0.00 0.00 173.24 174.78 2dj1 s SER 6 N 1.83 -0.17 0.00 5.45 0.15 -1.26 -5.19 113.70 114.51 2dj1 s SER 6 Ca 0.03 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2dj1 s SER 6 Cb -0.12 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 2dj1 s SER 6 CO -0.04 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.39 2dj1 n GLY 7 N -0.41 -0.71 3.80 9.45 0.00 -1.26 -5.15 105.19 110.92 2dj1 n GLY 7 Ca -0.07 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 2dj1 n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dj1 s ASP 8 N -4.00 7.05 -0.75 1.61 1.11 -1.26 -5.00 116.67 115.43 2dj1 s ASP 8 Ca 0.00 1.76 -0.19 0.00 0.18 0.00 0.00 52.55 54.30 2dj1 s ASP 8 Cb 0.00 -2.56 0.11 0.00 1.07 0.00 0.00 42.92 41.55 2dj1 s ASP 8 CO 0.00 -0.28 0.93 1.51 1.18 0.00 0.00 175.17 178.51 2dj1 s ASP 9 N -1.96 6.38 0.14 0.27 -4.77 -1.26 -4.73 116.67 110.75 2dj1 s ASP 9 Ca 0.58 -1.64 0.00 0.00 -3.30 0.00 0.00 52.55 48.19 2dj1 s ASP 9 Cb -0.13 -2.36 0.00 0.00 -1.09 0.00 0.00 42.92 39.34 2dj1 s ASP 9 CO 0.17 -1.14 0.00 -0.67 0.70 0.00 0.00 175.17 174.23 2dj1 n ASP 10 N 6.57 0.71 -4.56 2.11 -0.08 -1.26 -4.94 116.55 115.09 2dj1 n ASP 10 Ca 0.06 0.22 -0.39 0.00 -1.51 0.00 0.00 54.79 53.17 2dj1 n ASP 10 Cb 0.46 -0.12 -0.03 0.00 2.34 0.00 0.00 41.12 43.77 2dj1 n ASP 10 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2dj1 s LEU 11 N -6.86 3.50 0.31 -2.67 1.43 -1.26 -4.96 118.68 108.16 2dj1 s LEU 11 Ca 0.00 -1.54 0.07 0.00 -1.03 0.00 0.00 54.13 51.63 2dj1 s LEU 11 Cb 0.00 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 2dj1 s LEU 11 CO 0.00 -1.70 0.30 -1.83 0.23 0.00 0.00 176.35 173.35 2dj1 s GLU 12 N 5.20 2.90 -0.05 1.70 -1.05 -1.26 -5.04 118.70 121.10 2dj1 s GLU 12 Ca 0.52 -1.14 -0.02 0.00 -0.15 0.00 0.00 54.97 54.18 2dj1 s GLU 12 Cb -0.00 -2.59 0.03 0.00 -0.44 0.00 0.00 34.13 31.13 2dj1 s GLU 12 CO -0.04 0.20 0.08 0.08 0.95 0.00 0.00 175.26 176.53 2dj1 s VAL 13 N -2.21 -0.14 0.82 1.83 1.01 -1.26 -4.88 120.40 115.56 2dj1 s VAL 13 Ca 0.39 0.40 -0.08 0.00 0.00 0.00 0.00 61.98 62.69 2dj1 s VAL 13 Cb -0.07 -0.18 0.18 0.00 0.00 0.00 0.00 36.38 36.31 2dj1 s VAL 13 CO 0.27 0.17 1.11 0.29 0.00 0.00 0.00 175.10 176.94 2dj1 n LYS 14 N 5.23 -0.65 -3.65 2.72 5.02 -1.26 -4.86 118.16 120.72 2dj1 n LYS 14 Ca -0.05 -2.31 -0.15 0.00 -2.02 0.00 0.00 58.31 53.78 2dj1 n LYS 14 Cb 0.50 -0.96 -0.08 0.00 -0.02 0.00 0.00 35.03 34.47 2dj1 n LYS 14 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2dj1 s GLU 15 N -5.39 0.79 -0.19 1.97 -1.05 -1.26 -0.50 118.70 113.07 2dj1 s GLU 15 Ca 0.68 0.37 -0.01 0.00 -0.15 0.00 0.00 54.97 55.86 2dj1 s GLU 15 Cb -0.03 0.37 0.05 0.00 -0.44 0.00 0.00 34.13 34.09 2dj1 s GLU 15 CO 0.46 -0.19 -0.02 -1.83 0.95 0.00 0.00 175.26 174.64 2dj1 s GLU 16 N -0.60 1.18 -1.85 -4.83 -1.05 0.82 -4.77 118.70 107.61 2dj1 s GLU 16 Ca -0.07 -0.58 0.00 0.00 -0.15 0.00 0.00 54.97 54.17 2dj1 s GLU 16 Cb -0.03 -2.15 0.00 0.00 -0.44 0.00 0.00 34.13 31.51 2dj1 s GLU 16 CO 0.05 -0.54 0.00 0.09 0.95 0.00 0.00 175.26 175.80 2dj1 n ASN 17 N 4.89 -5.71 0.00 0.83 3.02 -1.26 -0.80 115.26 116.23 2dj1 n ASN 17 Ca -0.11 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2dj1 n ASN 17 Cb 0.47 -4.83 0.00 0.00 -0.61 0.00 0.00 39.78 34.81 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 -0.85 0.40 3.44 7.41 0.00 -1.26 -4.70 105.19 109.62 2dj1 n GLY 18 Ca -0.23 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.13 5.01 0.56 1.61 1.01 0.02 -4.63 120.40 121.85 2dj1 s VAL 19 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 2dj1 s VAL 19 Cb 0.00 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 2dj1 s VAL 19 CO 0.00 -0.68 1.22 0.26 0.00 0.00 0.00 175.10 175.90 2dj1 s TRP 20 N 2.27 2.49 -0.45 5.22 0.52 -0.40 -0.12 118.94 128.47 2dj1 s TRP 20 Ca 0.12 1.50 -0.04 0.00 0.02 0.00 0.00 56.10 57.70 2dj1 s TRP 20 Cb -0.20 -3.50 0.12 0.00 -1.15 0.00 0.00 33.47 28.74 2dj1 s TRP 20 CO 0.11 -2.14 0.26 0.08 0.02 0.00 0.00 176.95 175.28 2dj1 s VAL 21 N -1.55 3.47 0.44 4.03 1.01 0.35 -0.32 120.40 127.83 2dj1 s VAL 21 Ca 0.74 -2.14 0.01 0.00 0.00 0.00 0.00 61.98 60.59 2dj1 s VAL 21 Cb -0.31 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 32.72 2dj1 s VAL 21 CO 0.35 -0.73 0.65 -0.76 0.00 0.00 0.00 175.10 174.61 2dj1 s LEU 22 N 1.01 3.66 0.23 3.92 1.43 -1.12 -4.07 118.68 123.74 2dj1 s LEU 22 Ca 0.09 0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 53.21 2dj1 s LEU 22 Cb -0.23 -3.09 0.02 0.00 0.03 0.00 0.00 46.19 42.93 2dj1 s LEU 22 CO -0.04 -0.70 0.59 0.54 0.23 0.00 0.00 176.35 176.97 2dj1 s ASN 23 N -4.23 -0.26 0.27 2.29 4.22 -1.26 -4.59 114.94 111.38 2dj1 s ASN 23 Ca 0.49 -0.54 0.13 0.00 -2.14 0.00 0.00 52.86 50.79 2dj1 s ASN 23 Cb -0.10 0.63 0.71 0.00 1.28 0.00 0.00 41.25 43.78 2dj1 s ASN 23 CO 0.37 -1.15 1.32 -0.67 -2.04 0.00 0.00 177.10 174.92 2dj1 n ASP 24 N -0.39 0.34 0.02 3.54 2.03 -1.26 0.25 116.55 121.08 2dj1 n ASP 24 Ca -0.07 0.58 0.03 0.00 0.52 0.00 0.00 54.79 55.84 2dj1 n ASP 24 Cb 0.61 -0.56 -0.10 0.00 -0.72 0.00 0.00 41.12 40.36 2dj1 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dj1 n GLY 25 N -1.29 -1.18 0.15 0.27 0.00 -1.26 -4.36 105.19 97.53 2dj1 n GLY 25 Ca -0.01 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.71 1.19 0.06 1.61 0.23 0.13 -4.79 115.26 110.97 2dj1 n ASN 26 Ca -0.10 -2.13 -0.03 0.00 -0.53 0.00 0.00 54.58 51.79 2dj1 n ASN 26 Cb 0.78 -0.18 -0.01 0.00 -2.08 0.00 0.00 39.78 38.29 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 0.00 -0.16 -0.74 -2.53 3.04 0.32 -1.76 116.94 115.11 2dj1 h PHE 27 Ca 0.00 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.00 2dj1 h PHE 27 Cb 0.98 0.05 -0.05 0.00 2.56 0.00 0.00 35.95 39.49 2dj1 h PHE 27 CO 0.03 -0.10 0.44 -0.44 -2.02 0.00 0.00 178.31 176.22 2dj1 h ASP 28 N -0.32 0.68 -0.94 0.41 5.19 -1.85 -0.43 116.42 119.16 2dj1 h ASP 28 Ca -0.02 0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.44 2dj1 h ASP 28 Cb 0.13 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 39.47 2dj1 h ASP 28 CO 0.03 0.44 0.62 0.78 -3.12 0.00 0.00 179.24 177.99 2dj1 h ASN 29 N 0.81 1.04 0.36 6.45 4.21 -1.87 0.23 115.58 126.82 2dj1 h ASN 29 Ca 0.32 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.80 2dj1 h ASN 29 Cb 0.15 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.11 2dj1 h ASN 29 CO -0.16 0.73 -0.17 0.15 -1.29 0.00 0.00 177.43 176.68 2dj1 h PHE 30 N 1.22 -0.45 0.00 1.19 3.57 -0.49 -3.09 116.94 118.88 2dj1 h PHE 30 Ca 0.36 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.85 2dj1 h PHE 30 Cb -0.05 0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2dj1 h PHE 30 CO -0.01 -0.28 0.00 1.33 -2.23 0.00 0.00 178.31 177.12 2dj1 n VAL 31 N -4.19 1.94 -0.01 1.41 0.24 -0.25 -2.24 118.33 115.23 2dj1 n VAL 31 Ca -0.06 0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 62.63 2dj1 n VAL 31 Cb 0.19 -1.50 -0.06 0.00 -1.47 0.00 0.00 33.84 31.01 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 2.01 0.12 -0.93 2.33 0.00 -0.45 -2.93 119.26 119.42 2dj1 h ALA 32 Ca 0.00 -0.09 -0.62 0.00 0.00 0.00 0.00 54.91 54.21 2dj1 h ALA 32 Cb 0.01 -0.04 -0.27 0.00 0.00 0.00 0.00 17.79 17.49 2dj1 h ALA 32 CO 0.00 -0.30 0.79 -0.40 0.00 0.00 0.00 179.25 179.35 2dj1 n ASP 33 N -4.94 7.10 -3.73 0.00 5.75 -0.95 -4.88 116.55 114.91 2dj1 n ASP 33 Ca -0.06 -3.67 -0.12 0.00 -0.01 0.00 0.00 54.79 50.93 2dj1 n ASP 33 Cb 0.10 -0.97 -0.11 0.00 -1.03 0.00 0.00 41.12 39.12 2dj1 n ASP 33 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2dj1 s LYS 34 N -3.51 0.39 -0.09 0.11 1.02 -1.11 -5.07 119.74 111.48 2dj1 s LYS 34 Ca 0.60 0.61 -0.16 0.00 0.02 0.00 0.00 55.97 57.04 2dj1 s LYS 34 Cb 0.47 0.09 -0.13 0.00 -0.52 0.00 0.00 37.83 37.75 2dj1 s LYS 34 CO 0.00 -0.10 0.53 -0.44 -0.92 0.00 0.00 175.35 174.42 2dj1 h ASP 35 N 6.28 -0.09 -3.32 2.83 3.32 -1.90 -3.44 116.42 120.10 2dj1 h ASP 35 Ca -0.32 -0.39 -0.65 0.00 0.02 0.00 0.00 57.03 55.69 2dj1 h ASP 35 Cb 1.18 0.02 -0.36 0.00 0.22 0.00 0.00 39.33 40.39 2dj1 h ASP 35 CO 0.29 0.57 -0.83 -0.89 -1.72 0.00 0.00 179.24 176.66 2dj1 s THR 36 N -2.43 1.93 -0.12 0.35 2.01 -1.26 -1.30 115.64 114.82 2dj1 s THR 36 Ca -0.10 -1.06 0.02 0.00 0.31 0.00 0.00 61.69 60.86 2dj1 s THR 36 Cb -0.01 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.65 2dj1 s THR 36 CO 0.36 0.32 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.74 2dj1 s VAL 37 N 1.30 1.75 -0.16 3.82 1.01 -1.10 -4.43 120.40 122.59 2dj1 s VAL 37 Ca 0.01 -0.79 -0.26 0.00 0.00 0.00 0.00 61.98 60.94 2dj1 s VAL 37 Cb -0.15 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 2dj1 s VAL 37 CO -0.10 0.49 0.85 -0.22 0.00 0.00 0.00 175.10 176.12 2dj1 s LEU 38 N 0.90 4.19 -0.04 3.92 2.96 -1.09 -2.13 118.68 127.39 2dj1 s LEU 38 Ca -0.07 1.22 0.06 0.00 -0.22 0.00 0.00 54.13 55.12 2dj1 s LEU 38 Cb -0.15 -3.27 -0.01 0.00 0.50 0.00 0.00 46.19 43.25 2dj1 s LEU 38 CO -0.01 -0.40 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.62 2dj1 s LEU 39 N 2.12 2.03 -0.10 -0.68 1.43 -0.84 -1.65 118.68 120.98 2dj1 s LEU 39 Ca 0.40 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2dj1 s LEU 39 Cb -0.17 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 44.85 2dj1 s LEU 39 CO 0.13 0.25 -0.04 -0.70 0.23 0.00 0.00 176.35 176.22 2dj1 s GLU 40 N -0.33 1.12 -0.01 1.70 -6.30 -0.99 0.05 118.70 113.94 2dj1 s GLU 40 Ca 0.03 -0.13 -0.21 0.00 -2.50 0.00 0.00 54.97 52.16 2dj1 s GLU 40 Cb -0.11 -1.39 -0.05 0.00 0.00 0.00 0.00 34.13 32.58 2dj1 s GLU 40 CO 0.01 -0.31 0.60 -0.06 0.02 0.00 0.00 175.26 175.52 2dj1 s PHE 41 N 1.82 3.67 0.30 5.30 0.40 0.37 -1.39 117.98 128.46 2dj1 s PHE 41 Ca 0.05 1.19 0.05 0.00 -0.60 0.00 0.00 56.93 57.62 2dj1 s PHE 41 Cb -0.13 -2.62 -0.03 0.00 0.51 0.00 0.00 43.02 40.75 2dj1 s PHE 41 CO -0.07 0.33 0.23 1.52 0.70 0.00 0.00 175.22 177.94 2dj1 s TYR 42 N -0.12 1.62 -0.03 0.36 -0.85 -0.93 -0.95 117.35 116.46 2dj1 s TYR 42 Ca 0.31 -1.57 -0.02 0.00 -0.52 0.00 0.00 57.07 55.27 2dj1 s TYR 42 Cb -0.18 -0.71 0.01 0.00 0.38 0.00 0.00 41.96 41.45 2dj1 s TYR 42 CO 0.17 -0.77 0.07 0.00 -1.52 0.00 0.00 175.55 173.50 2dj1 s ALA 43 N -3.60 -0.17 -1.12 9.51 0.00 -1.26 -3.60 121.76 121.52 2dj1 s ALA 43 Ca 0.39 0.21 0.14 0.00 0.00 0.00 0.00 51.96 52.70 2dj1 s ALA 43 Cb 0.04 -0.12 0.64 0.00 0.00 0.00 0.00 23.12 23.68 2dj1 s ALA 43 CO 0.23 -0.04 1.44 -0.35 0.00 0.00 0.00 175.76 177.04 2dj1 n PRO 44 N 3.09 0.06 -0.00 0.00 -0.04 -1.26 -2.05 135.00 134.79 2dj1 n PRO 44 Ca -0.13 0.23 0.09 0.00 -0.04 0.00 0.00 63.50 63.64 2dj1 n PRO 44 Cb 0.59 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.44 2dj1 n PRO 44 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2dj1 n TRP 45 N -1.44 0.00 -2.72 0.54 4.27 -1.26 -4.93 117.44 111.89 2dj1 n TRP 45 Ca 0.04 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.23 2dj1 n TRP 45 Cb 0.15 -0.14 -0.03 0.00 -1.36 0.00 0.00 31.31 29.93 2dj1 n TRP 45 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2dj1 h GLY 47 N 7.88 0.31 0.37 0.00 0.00 -1.92 -3.18 103.07 106.53 2dj1 h GLY 47 Ca -0.32 -0.52 0.23 0.00 0.00 0.00 0.00 47.33 46.72 2dj1 h GLY 47 CO 0.84 0.46 0.59 0.84 0.00 0.00 0.00 176.54 179.27 2dj1 h HIS 48 N 0.16 0.03 0.00 5.60 6.17 -1.92 0.52 115.15 125.72 2dj1 h HIS 48 Ca -0.05 0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.00 2dj1 h HIS 48 Cb 1.47 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 31.39 2dj1 h HIS 48 CO 0.04 0.01 -0.17 0.00 0.71 0.00 0.00 177.93 178.51 2dj1 h LYS 50 N 0.00 -0.31 0.00 0.00 2.10 -0.12 1.59 116.57 119.83 2dj1 h LYS 50 Ca -0.00 0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.67 2dj1 h LYS 50 Cb 0.41 0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.81 2dj1 h LYS 50 CO 0.02 -0.20 -0.20 1.96 -2.00 0.00 0.00 179.45 179.04 2dj1 h GLN 51 N -0.34 0.00 -0.00 0.07 4.20 -1.61 -3.20 115.11 114.23 2dj1 h GLN 51 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2dj1 h GLN 51 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2dj1 h GLN 51 CO 0.05 0.01 -0.56 0.34 -0.67 0.00 0.00 178.83 178.01 2dj1 n PHE 52 N -3.02 0.00 0.50 2.96 7.35 -0.13 -4.19 117.46 120.93 2dj1 n PHE 52 Ca 0.03 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.53 2dj1 n PHE 52 Cb 0.54 -0.12 -0.09 0.00 0.35 0.00 0.00 39.48 40.15 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 3.30 -1.32 0.00 3.13 0.00 0.23 -1.20 119.26 123.41 2dj1 h ALA 53 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2dj1 h ALA 53 Cb 0.54 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2dj1 h ALA 53 CO 0.00 -1.23 0.00 -0.35 0.00 0.00 0.00 179.25 177.67 2dj1 n PRO 54 N -5.46 0.12 0.11 0.00 -0.04 -1.26 -2.76 135.00 125.71 2dj1 n PRO 54 Ca -0.16 0.36 -0.23 0.00 -0.04 0.00 0.00 63.50 63.44 2dj1 n PRO 54 Cb 0.50 -1.73 -0.15 0.00 -0.04 0.00 0.00 33.50 32.07 2dj1 n PRO 54 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2dj1 h GLU 55 N 0.00 0.44 -0.12 0.54 4.81 -1.67 -3.25 114.58 115.34 2dj1 h GLU 55 Ca 0.00 -0.76 -0.05 0.00 -0.13 0.00 0.00 59.36 58.43 2dj1 h GLU 55 Cb 0.31 0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 2dj1 h GLU 55 CO 0.00 1.35 -0.10 -0.92 -0.73 0.00 0.00 179.01 178.61 2dj1 h TYR 56 N 0.12 0.34 -0.51 0.92 3.20 -1.03 -3.20 116.97 116.81 2dj1 h TYR 56 Ca -0.28 -0.10 0.10 0.00 3.14 0.00 0.00 58.73 61.59 2dj1 h TYR 56 Cb 2.12 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 40.23 2dj1 h TYR 56 CO 0.11 0.68 -0.01 0.93 -1.64 0.00 0.00 178.16 178.23 2dj1 h GLU 57 N -0.09 0.10 -0.92 1.82 5.08 -1.68 -0.39 114.58 118.50 2dj1 h GLU 57 Ca 0.02 -0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.56 2dj1 h GLU 57 Cb 0.61 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.73 2dj1 h GLU 57 CO 0.03 0.07 0.50 0.87 -1.00 0.00 0.00 179.01 179.48 2dj1 h LYS 58 N 0.11 0.62 -0.85 2.33 1.57 -1.58 0.11 116.57 118.87 2dj1 h LYS 58 Ca 0.26 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2dj1 h LYS 58 Cb 0.39 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 2dj1 h LYS 58 CO -0.43 0.41 0.56 0.82 -0.57 0.00 0.00 179.45 180.24 2dj1 h ILE 59 N 0.63 1.22 -0.27 1.86 2.04 -1.07 -1.58 117.51 120.35 2dj1 h ILE 59 Ca 0.53 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 66.06 2dj1 h ILE 59 Cb 0.85 -0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 2dj1 h ILE 59 CO -0.41 0.21 -0.21 0.00 0.00 0.00 0.00 178.15 177.75 2dj1 h ALA 60 N 1.46 -0.05 -0.04 1.87 0.00 -0.50 -0.90 119.26 121.10 2dj1 h ALA 60 Ca 0.31 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.20 2dj1 h ALA 60 Cb -0.13 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2dj1 h ALA 60 CO -0.07 -0.62 -0.49 1.03 0.00 0.00 0.00 179.25 179.10 2dj1 h SER 61 N -0.20 0.12 0.27 0.00 0.87 -1.44 -2.64 113.55 110.53 2dj1 h SER 61 Ca 0.15 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2dj1 h SER 61 Cb 0.42 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2dj1 h SER 61 CO -0.38 0.59 -0.15 0.74 -0.53 0.00 0.00 176.83 177.10 2dj1 h THR 62 N 0.09 0.00 0.00 2.23 2.02 -0.20 -2.57 112.91 114.47 2dj1 h THR 62 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2dj1 h THR 62 Cb 0.89 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2dj1 h THR 62 CO 0.07 0.00 0.00 -0.07 0.37 0.00 0.00 175.52 175.89 2dj1 h LEU 63 N -0.38 0.00 -0.85 2.58 3.38 -1.32 -2.95 115.31 115.76 2dj1 h LEU 63 Ca -0.04 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.12 2dj1 h LEU 63 Cb 0.30 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.89 2dj1 h LEU 63 CO 0.05 0.00 -0.14 0.50 0.09 0.00 0.00 178.44 178.94 2dj1 h LYS 64 N 0.00 0.02 -0.02 1.13 1.63 -1.07 0.38 116.57 118.64 2dj1 h LYS 64 Ca 0.00 -0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.60 2dj1 h LYS 64 Cb 0.02 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 2dj1 h LYS 64 CO 0.00 0.01 -0.83 0.22 -3.45 0.00 0.00 179.45 175.41 2dj1 h ASP 65 N 0.02 0.37 -0.97 4.20 3.58 -1.64 -3.42 116.42 118.57 2dj1 h ASP 65 Ca 0.44 -0.28 -0.57 0.00 0.42 0.00 0.00 57.03 57.04 2dj1 h ASP 65 Cb 0.73 -0.11 0.10 0.00 1.72 0.00 0.00 39.33 41.77 2dj1 h ASP 65 CO -0.84 1.05 -0.52 -3.20 -2.88 0.00 0.00 179.24 172.84 2dj1 n ASN 66 N -3.74 -1.33 -4.24 2.28 5.15 0.13 -4.70 115.26 108.81 2dj1 n ASN 66 Ca -0.04 0.92 -0.33 0.00 -0.60 0.00 0.00 54.58 54.52 2dj1 n ASN 66 Cb 0.77 -0.81 -0.15 0.00 -0.53 0.00 0.00 39.78 39.06 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 -0.86 3.64 0.88 1.20 2.15 -1.26 -1.31 116.67 121.12 2dj1 s ASP 67 Ca 0.54 -0.50 -0.11 0.00 0.43 0.00 0.00 52.55 52.91 2dj1 s ASP 67 Cb -0.75 -1.57 0.12 0.00 -0.30 0.00 0.00 42.92 40.41 2dj1 s ASP 67 CO 0.49 0.05 1.09 -2.16 -0.17 0.00 0.00 175.17 174.47 2dj1 s PRO 68 N 1.02 1.37 -0.31 4.34 0.04 -1.26 -5.01 135.00 135.19 2dj1 s PRO 68 Ca -0.01 0.86 -0.29 0.00 0.04 0.00 0.00 61.00 61.60 2dj1 s PRO 68 Cb -0.15 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 2dj1 s PRO 68 CO -0.03 -2.18 1.68 -1.25 0.04 0.00 0.00 177.00 175.26 2dj1 s PRO 69 N -4.93 3.51 0.46 0.56 0.04 -0.42 -5.00 135.00 129.21 2dj1 s PRO 69 Ca 0.63 1.40 -0.05 0.00 0.04 0.00 0.00 61.00 63.02 2dj1 s PRO 69 Cb -0.18 -4.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.20 2dj1 s PRO 69 CO 0.57 -1.65 0.76 0.42 0.04 0.00 0.00 177.00 177.13 2dj1 s ILE 70 N 6.16 4.92 -0.24 0.56 1.01 -1.25 -5.06 121.20 127.30 2dj1 s ILE 70 Ca 0.74 0.17 0.02 0.00 0.00 0.00 0.00 60.65 61.59 2dj1 s ILE 70 Cb -0.21 -3.85 0.05 0.00 0.01 0.00 0.00 42.46 38.45 2dj1 s ILE 70 CO 0.32 -0.78 -0.13 0.00 0.00 0.00 0.00 174.94 174.36 2dj1 s ALA 71 N -2.65 2.52 -0.17 9.38 0.00 -1.26 -4.49 121.76 125.08 2dj1 s ALA 71 Ca 0.47 -1.63 -0.22 0.00 0.00 0.00 0.00 51.96 50.58 2dj1 s ALA 71 Cb -0.10 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.50 2dj1 s ALA 71 CO 0.42 -0.98 0.70 0.08 0.00 0.00 0.00 175.76 175.99 2dj1 s VAL 72 N 1.16 4.98 0.19 0.00 1.01 -1.26 -2.67 120.40 123.80 2dj1 s VAL 72 Ca -0.05 1.36 0.03 0.00 0.00 0.00 0.00 61.98 63.31 2dj1 s VAL 72 Cb -0.18 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 2dj1 s VAL 72 CO -0.07 0.10 -0.02 0.00 0.00 0.00 0.00 175.10 175.11 2dj1 s ALA 73 N 1.86 1.55 0.12 5.51 0.00 -0.66 -1.27 121.76 128.87 2dj1 s ALA 73 Ca 0.33 -1.63 0.08 0.00 0.00 0.00 0.00 51.96 50.73 2dj1 s ALA 73 Cb -0.16 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 2dj1 s ALA 73 CO 0.12 -0.24 -0.18 -1.59 0.00 0.00 0.00 175.76 173.86 2dj1 s LYS 74 N -3.86 1.13 -0.01 0.00 -2.85 0.57 -2.36 119.74 112.37 2dj1 s LYS 74 Ca 0.24 -1.23 -0.02 0.00 -1.00 0.00 0.00 55.97 53.96 2dj1 s LYS 74 Cb 0.05 -1.25 0.00 0.00 -2.06 0.00 0.00 37.83 34.57 2dj1 s LYS 74 CO 0.05 0.27 0.04 0.42 0.10 0.00 0.00 175.35 176.23 2dj1 s ILE 75 N -1.59 0.01 -1.13 3.79 1.01 -0.48 -2.79 121.20 120.02 2dj1 s ILE 75 Ca 0.09 -0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.47 2dj1 s ILE 75 Cb -0.08 -0.11 0.16 0.00 0.01 0.00 0.00 42.46 42.45 2dj1 s ILE 75 CO 0.05 -0.07 1.35 -1.81 0.00 0.00 0.00 174.94 174.46 2dj1 s ASP 76 N -0.18 6.95 0.27 3.58 1.01 -1.26 -2.20 116.67 124.84 2dj1 s ASP 76 Ca -0.02 -2.74 -0.07 0.00 0.71 0.00 0.00 52.55 50.42 2dj1 s ASP 76 Cb -0.02 -2.40 0.45 0.00 1.01 0.00 0.00 42.92 41.96 2dj1 s ASP 76 CO 0.00 -0.83 1.50 0.00 0.21 0.00 0.00 175.17 176.05 2dj1 n ALA 77 N 5.86 0.24 -0.32 5.23 0.00 -1.24 0.75 120.51 131.03 2dj1 n ALA 77 Ca 0.33 1.06 0.20 0.00 0.00 0.00 0.00 53.44 55.02 2dj1 n ALA 77 Cb 0.44 -0.64 0.39 0.00 0.00 0.00 0.00 19.45 19.64 2dj1 n ALA 77 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2dj1 h THR 78 N 0.00 0.13 0.15 0.00 1.35 -1.90 0.15 112.91 112.80 2dj1 h THR 78 Ca 0.46 -0.04 -0.33 0.00 -0.55 0.00 0.00 66.41 65.96 2dj1 h THR 78 Cb 0.71 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 2dj1 h THR 78 CO -0.99 0.02 -1.66 -1.28 -0.25 0.00 0.00 175.52 171.36 2dj1 h SER 79 N 0.10 0.51 -2.79 5.36 0.87 -0.05 -3.41 113.55 114.15 2dj1 h SER 79 Ca 0.66 -0.75 -0.74 0.00 -1.23 0.00 0.00 61.79 59.74 2dj1 h SER 79 Cb 1.51 -0.17 -0.21 0.00 -0.44 0.00 0.00 62.40 63.09 2dj1 h SER 79 CO -0.77 1.63 0.78 0.00 -0.53 0.00 0.00 176.83 177.94 2dj1 s ALA 80 N -2.59 3.89 -0.02 6.23 0.00 0.53 -4.85 121.76 124.94 2dj1 s ALA 80 Ca -0.13 -3.20 -0.25 0.00 0.00 0.00 0.00 51.96 48.38 2dj1 s ALA 80 Cb 0.06 -3.90 -0.19 0.00 0.00 0.00 0.00 23.12 19.10 2dj1 s ALA 80 CO 0.85 -2.67 1.22 1.03 0.00 0.00 0.00 175.76 176.19 2dj1 h SER 81 N 7.84 -0.10 -0.21 0.00 0.87 -1.79 -1.86 113.55 118.30 2dj1 h SER 81 Ca 0.20 -0.39 0.03 0.00 -1.23 0.00 0.00 61.79 60.40 2dj1 h SER 81 Cb 0.96 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.88 2dj1 h SER 81 CO 1.06 0.36 -0.52 -0.03 -0.53 0.00 0.00 176.83 177.17 2dj1 h MET 82 N -0.58 -0.48 -0.20 2.24 1.85 -1.91 0.22 114.93 116.07 2dj1 h MET 82 Ca -0.01 0.03 0.04 0.00 -0.61 0.00 0.00 59.70 59.15 2dj1 h MET 82 Cb 0.48 0.11 -0.04 0.00 0.43 0.00 0.00 31.60 32.58 2dj1 h MET 82 CO 0.02 -0.32 -0.05 -0.07 -0.40 0.00 0.00 176.91 176.10 2dj1 h LEU 83 N -0.49 -0.18 -0.56 3.39 3.38 -1.95 -1.43 115.31 117.46 2dj1 h LEU 83 Ca 0.04 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.18 2dj1 h LEU 83 Cb 0.61 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.40 2dj1 h LEU 83 CO -0.46 -0.06 0.02 0.00 0.09 0.00 0.00 178.44 178.03 2dj1 h ALA 84 N 1.20 0.56 0.00 1.53 0.00 -0.62 0.19 119.26 122.13 2dj1 h ALA 84 Ca 0.10 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2dj1 h ALA 84 Cb 0.15 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2dj1 h ALA 84 CO -0.21 -0.38 -0.18 1.03 0.00 0.00 0.00 179.25 179.52 2dj1 h SER 85 N 0.14 0.00 -0.02 0.00 0.87 -0.08 -0.29 113.55 114.17 2dj1 h SER 85 Ca 0.29 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.86 2dj1 h SER 85 Cb 0.45 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2dj1 h SER 85 CO -0.46 0.18 -0.05 0.50 -0.53 0.00 0.00 176.83 176.47 2dj1 h LYS 86 N 0.00 -0.07 -0.70 2.24 3.64 0.45 -2.37 116.57 119.76 2dj1 h LYS 86 Ca -0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 2dj1 h LYS 86 Cb 0.36 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.13 2dj1 h LYS 86 CO 0.02 -0.04 0.14 1.19 -2.27 0.00 0.00 179.45 178.49 2dj1 n PHE 87 N -5.16 2.16 -4.23 1.91 3.01 -1.09 -4.93 117.46 109.13 2dj1 n PHE 87 Ca -0.06 -0.92 -0.33 0.00 1.01 0.00 0.00 57.45 57.15 2dj1 n PHE 87 Cb 0.09 -0.58 -0.08 0.00 -0.01 0.00 0.00 39.48 38.90 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 0.21 0.15 -4.56 4.37 2.03 -0.74 -4.77 116.55 113.24 2dj1 n ASP 88 Ca 0.33 -1.25 -0.40 0.00 0.52 0.00 0.00 54.79 54.00 2dj1 n ASP 88 Cb 1.24 -1.54 -0.03 0.00 -0.72 0.00 0.00 41.12 40.08 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 -4.22 3.47 -0.50 5.18 1.01 -0.20 -4.84 120.40 120.30 2dj1 s VAL 89 Ca 0.08 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.42 2dj1 s VAL 89 Cb -0.04 -4.07 0.44 0.00 0.00 0.00 0.00 36.38 32.70 2dj1 s VAL 89 CO 0.96 -0.97 1.53 -0.24 0.00 0.00 0.00 175.10 176.39 2dj1 n SER 90 N 11.65 6.05 0.00 3.32 2.88 -1.26 -4.89 113.62 131.37 2dj1 n SER 90 Ca 0.18 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.95 2dj1 n SER 90 Cb 0.51 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 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 -0.71 -0.37 3.57 0.46 0.00 -1.26 -5.17 105.19 101.71 2dj1 n GLY 91 Ca 0.50 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.52 0.43 1.61 1.51 -1.26 -4.13 117.35 112.99 2dj1 s TYR 92 Ca 0.00 0.99 -0.24 0.00 -1.01 0.00 0.00 57.07 56.81 2dj1 s TYR 92 Cb 0.00 0.41 -0.08 0.00 -0.11 0.00 0.00 41.96 42.18 2dj1 s TYR 92 CO 0.00 -0.42 1.18 -1.25 -1.11 0.00 0.00 175.55 173.95 2dj1 s PRO 93 N -0.83 3.92 -0.27 -1.71 0.04 -1.26 -4.95 135.00 129.94 2dj1 s PRO 93 Ca -0.04 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.84 2dj1 s PRO 93 Cb -0.01 -2.57 0.08 0.00 0.04 0.00 0.00 34.50 32.04 2dj1 s PRO 93 CO 0.03 -0.43 0.03 0.99 0.04 0.00 0.00 177.00 177.65 2dj1 s THR 94 N -1.46 1.26 0.20 1.26 2.01 -0.12 -4.99 115.64 113.80 2dj1 s THR 94 Ca 0.60 -1.34 -0.21 0.00 0.31 0.00 0.00 61.69 61.05 2dj1 s THR 94 Cb -0.30 -1.76 -0.08 0.00 0.01 0.00 0.00 72.50 70.36 2dj1 s THR 94 CO 0.38 -0.38 0.73 -0.63 -0.69 0.00 0.00 174.62 174.03 2dj1 s ILE 95 N 1.47 4.51 0.15 1.82 1.01 -1.26 -0.48 121.20 128.43 2dj1 s ILE 95 Ca 0.02 1.42 -0.05 0.00 0.00 0.00 0.00 60.65 62.04 2dj1 s ILE 95 Cb -0.18 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 2dj1 s ILE 95 CO -0.13 0.33 0.17 -0.54 0.00 0.00 0.00 174.94 174.77 2dj1 s LYS 96 N -1.67 1.07 -0.03 2.79 -0.14 0.11 -3.72 119.74 118.15 2dj1 s LYS 96 Ca 0.40 -1.34 0.01 0.00 -1.36 0.00 0.00 55.97 53.68 2dj1 s LYS 96 Cb -0.19 0.31 0.01 0.00 -1.68 0.00 0.00 37.83 36.28 2dj1 s LYS 96 CO 0.22 -0.35 -0.05 0.42 -0.76 0.00 0.00 175.35 174.84 2dj1 s ILE 97 N -4.02 0.48 -0.19 2.17 1.01 -1.16 -1.99 121.20 117.49 2dj1 s ILE 97 Ca 0.23 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.66 2dj1 s ILE 97 Cb 0.05 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 2dj1 s ILE 97 CO 0.02 0.18 0.06 -0.22 0.00 0.00 0.00 174.94 174.99 2dj1 s LEU 98 N 0.55 3.74 -0.33 2.97 2.96 -0.91 -1.20 118.68 126.46 2dj1 s LEU 98 Ca -0.07 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 2dj1 s LEU 98 Cb -0.10 -1.95 0.09 0.00 0.50 0.00 0.00 46.19 44.73 2dj1 s LEU 98 CO -0.00 0.14 0.04 -0.75 -1.32 0.00 0.00 176.35 174.46 2dj1 s LYS 99 N 0.56 1.47 -0.84 1.98 2.47 0.91 -2.71 119.74 123.58 2dj1 s LYS 99 Ca 0.03 -1.71 0.00 0.00 -1.56 0.00 0.00 55.97 52.73 2dj1 s LYS 99 Cb -0.13 -3.02 0.00 0.00 -1.46 0.00 0.00 37.83 33.22 2dj1 s LYS 99 CO 0.01 -0.90 0.00 1.63 0.16 0.00 0.00 175.35 176.25 2dj1 n LYS 100 N 4.35 -1.91 0.00 4.03 5.02 -0.42 0.76 118.16 130.00 2dj1 n LYS 100 Ca 0.01 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 2dj1 n LYS 100 Cb 0.42 -4.87 0.00 0.00 -0.02 0.00 0.00 35.03 30.56 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 1.16 3.69 0.72 0.00 -1.26 -5.10 105.19 103.92 2dj1 n GLY 101 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.65 2.95 -0.19 1.61 -1.52 0.23 -5.10 119.66 116.99 2dj1 s GLN 102 Ca 0.00 -0.45 -0.15 0.00 -1.95 0.00 0.00 55.36 52.81 2dj1 s GLN 102 Cb 0.00 -2.78 -0.04 0.00 -0.22 0.00 0.00 33.01 29.97 2dj1 s GLN 102 CO 0.00 0.69 0.36 0.00 -0.25 0.00 0.00 175.29 176.08 2dj1 s ALA 103 N -0.94 3.56 -0.33 6.09 0.00 -1.26 -0.06 121.76 128.82 2dj1 s ALA 103 Ca 0.15 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.61 2dj1 s ALA 103 Cb -0.11 -2.55 0.09 0.00 0.00 0.00 0.00 23.12 20.55 2dj1 s ALA 103 CO 0.04 -0.20 0.03 0.08 0.00 0.00 0.00 175.76 175.72 2dj1 s VAL 104 N 1.08 2.14 0.26 0.00 1.01 -0.34 -5.00 120.40 119.55 2dj1 s VAL 104 Ca 0.18 -2.18 -0.30 0.00 0.00 0.00 0.00 61.98 59.68 2dj1 s VAL 104 Cb -0.14 -2.55 -0.13 0.00 0.00 0.00 0.00 36.38 33.56 2dj1 s VAL 104 CO 0.07 -0.53 1.37 -0.67 0.00 0.00 0.00 175.10 175.34 2dj1 n ASP 105 N 4.32 2.72 -4.40 3.32 2.03 -1.26 -3.00 116.55 120.29 2dj1 n ASP 105 Ca 0.01 1.16 -0.44 0.00 0.52 0.00 0.00 54.79 56.04 2dj1 n ASP 105 Cb 0.42 -1.44 -0.08 0.00 -0.72 0.00 0.00 41.12 39.31 2dj1 n ASP 105 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2dj1 s TYR 106 N -0.30 3.24 -0.89 -0.67 5.04 -1.24 -4.96 117.35 117.56 2dj1 s TYR 106 Ca 0.65 -0.89 0.01 0.00 -2.44 0.00 0.00 57.07 54.40 2dj1 s TYR 106 Cb -0.63 -3.13 0.31 0.00 0.35 0.00 0.00 41.96 38.86 2dj1 s TYR 106 CO 0.53 -0.78 1.38 -0.25 -1.34 0.00 0.00 175.55 175.08 2dj1 n ASP 107 N 5.22 5.94 0.00 4.32 9.92 -1.26 -4.86 116.55 135.83 2dj1 n ASP 107 Ca -0.12 -3.58 0.00 0.00 -0.53 0.00 0.00 54.79 50.56 2dj1 n ASP 107 Cb 0.44 -0.99 0.00 0.00 -0.64 0.00 0.00 41.12 39.93 2dj1 n ASP 107 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dj1 n GLY 108 N 0.43 5.98 1.37 0.44 0.00 -1.26 -5.04 105.19 107.10 2dj1 n GLY 108 Ca 0.35 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 2.87 -4.02 1.61 2.88 -1.26 -4.95 113.62 110.74 2dj1 n SER 109 Ca 0.00 -3.78 -0.26 0.00 -1.33 0.00 0.00 58.87 53.50 2dj1 n SER 109 Cb 0.00 -0.66 -0.08 0.00 -0.75 0.00 0.00 64.21 62.72 2dj1 n SER 109 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dj1 n ARG 110 N -1.11 -0.94 -4.83 -1.46 1.74 -1.26 -4.91 116.66 103.89 2dj1 n ARG 110 Ca 0.38 0.07 -0.30 0.00 -0.77 0.00 0.00 57.85 57.23 2dj1 n ARG 110 Cb 1.10 -2.98 -0.14 0.00 -1.02 0.00 0.00 32.46 29.42 2dj1 n ARG 110 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2dj1 s THR 111 N -4.16 2.20 0.39 0.55 -4.23 -1.26 -4.93 115.64 104.20 2dj1 s THR 111 Ca 0.00 -1.43 0.20 0.00 -1.18 0.00 0.00 61.69 59.29 2dj1 s THR 111 Cb -0.00 -1.87 0.39 0.00 1.34 0.00 0.00 72.50 72.36 2dj1 s THR 111 CO 0.83 0.33 1.71 1.56 -0.54 0.00 0.00 174.62 178.51 2dj1 h GLN 112 N 4.66 0.31 0.01 3.99 7.50 -1.90 0.60 115.11 130.28 2dj1 h GLN 112 Ca -0.47 -0.02 -0.00 0.00 0.50 0.00 0.00 58.65 58.66 2dj1 h GLN 112 Cb 1.15 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.61 2dj1 h GLN 112 CO 0.43 0.21 -0.01 0.93 -1.50 0.00 0.00 178.83 178.89 2dj1 h GLU 113 N 0.32 -0.02 0.18 1.46 5.08 -1.98 -2.87 114.58 116.75 2dj1 h GLU 113 Ca 0.69 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 59.04 2dj1 h GLU 113 Cb 1.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.04 2dj1 h GLU 113 CO -0.41 0.56 -0.09 0.93 -1.00 0.00 0.00 179.01 179.01 2dj1 h GLU 114 N -0.61 -0.23 -0.90 2.33 4.39 -1.33 0.11 114.58 118.35 2dj1 h GLU 114 Ca -0.00 0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.88 2dj1 h GLU 114 Cb 0.59 0.05 -0.16 0.00 -0.10 0.00 0.00 28.75 29.13 2dj1 h GLU 114 CO 0.00 -0.15 -0.27 -0.89 -1.16 0.00 0.00 179.01 176.54 2dj1 n ILE 115 N -2.92 -0.41 -0.12 3.13 5.41 0.19 0.12 119.36 124.75 2dj1 n ILE 115 Ca -0.03 2.08 -0.10 0.00 1.00 0.00 0.00 62.75 65.70 2dj1 n ILE 115 Cb 0.09 -2.83 0.04 0.00 -0.71 0.00 0.00 39.64 36.24 2dj1 n ILE 115 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2dj1 h VAL 116 N 0.00 1.27 -0.54 1.39 2.07 -1.57 -1.42 116.25 117.44 2dj1 h VAL 116 Ca 0.39 -1.39 0.05 0.00 0.82 0.00 0.00 66.70 66.56 2dj1 h VAL 116 Cb 0.61 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 2dj1 h VAL 116 CO -0.91 0.47 0.29 0.00 0.02 0.00 0.00 177.57 177.43 2dj1 h ALA 117 N 0.96 0.70 0.33 1.67 0.00 0.37 -1.19 119.26 122.10 2dj1 h ALA 117 Ca 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2dj1 h ALA 117 Cb 0.79 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2dj1 h ALA 117 CO 0.07 -0.05 -0.16 -0.22 0.00 0.00 0.00 179.25 178.89 2dj1 h LYS 118 N 0.55 -0.43 -0.96 0.00 1.63 -0.73 -2.20 116.57 114.43 2dj1 h LYS 118 Ca 0.24 0.03 0.12 0.00 -0.85 0.00 0.00 60.65 60.19 2dj1 h LYS 118 Cb 0.13 0.10 -0.14 0.00 -0.60 0.00 0.00 32.23 31.72 2dj1 h LYS 118 CO -0.16 -0.29 -0.49 0.28 -3.45 0.00 0.00 179.45 175.35 2dj1 h VAL 119 N -0.97 0.01 -0.75 2.00 2.07 -1.26 0.75 116.25 118.09 2dj1 h VAL 119 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2dj1 h VAL 119 Cb 0.34 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 2dj1 h VAL 119 CO 0.08 0.00 0.48 0.08 0.02 0.00 0.00 177.57 178.23 2dj1 h ARG 120 N -0.02 1.00 -0.56 1.57 0.11 -1.34 0.48 114.38 115.62 2dj1 h ARG 120 Ca 0.24 -0.07 -0.06 0.00 0.10 0.00 0.00 59.98 60.20 2dj1 h ARG 120 Cb 0.51 -0.22 -0.02 0.00 1.11 0.00 0.00 29.97 31.34 2dj1 h ARG 120 CO -0.94 0.67 0.11 1.49 0.10 0.00 0.00 179.97 181.40 2dj1 h GLU 121 N 1.02 0.87 0.00 0.08 4.81 0.95 -2.46 114.58 119.86 2dj1 h GLU 121 Ca 0.27 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2dj1 h GLU 121 Cb -0.10 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 2dj1 h GLU 121 CO -0.06 0.80 -0.31 0.28 -0.73 0.00 0.00 179.01 178.99 2dj1 h VAL 122 N 0.83 0.53 0.00 0.32 2.07 0.40 -3.20 116.25 117.19 2dj1 h VAL 122 Ca 0.18 -1.74 -0.03 0.00 0.82 0.00 0.00 66.70 65.92 2dj1 h VAL 122 Cb 0.34 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2dj1 h VAL 122 CO 0.00 0.30 -0.14 0.77 0.02 0.00 0.00 177.57 178.52 2dj1 h SER 123 N 0.00 0.00 -3.93 0.57 4.64 -0.44 -3.44 113.55 110.95 2dj1 h SER 123 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.80 2dj1 h SER 123 Cb 1.24 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.38 2dj1 h SER 123 CO 0.04 0.14 0.54 -1.10 -0.87 0.00 0.00 176.83 175.58 2dj1 s GLN 124 N -4.14 4.09 0.35 4.77 -1.52 -1.18 -4.93 119.66 117.11 2dj1 s GLN 124 Ca -0.02 1.93 0.14 0.00 -1.95 0.00 0.00 55.36 55.46 2dj1 s GLN 124 Cb 0.13 -2.75 0.63 0.00 -0.22 0.00 0.00 33.01 30.80 2dj1 s GLN 124 CO 0.60 -0.32 1.75 -1.00 -0.25 0.00 0.00 175.29 176.07 2dj1 h PRO 125 N 2.77 0.00 -0.24 2.91 0.13 -1.90 -3.11 132.00 132.56 2dj1 h PRO 125 Ca -0.49 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 2dj1 h PRO 125 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2dj1 h PRO 125 CO 0.63 0.44 -0.50 0.38 -0.23 0.00 0.00 178.00 178.71 2dj1 h ASP 126 N 0.00 0.85 -3.11 1.44 3.04 -1.93 -3.45 116.42 113.26 2dj1 h ASP 126 Ca -0.00 -0.55 -0.58 0.00 -3.24 0.00 0.00 57.03 52.66 2dj1 h ASP 126 Cb 0.83 -0.25 0.17 0.00 -1.04 0.00 0.00 39.33 39.04 2dj1 h ASP 126 CO 0.06 1.25 -0.22 1.87 -2.04 0.00 0.00 179.24 180.15 2dj1 n TRP 127 N -4.11 -0.17 -4.10 4.15 -0.00 -1.18 -5.01 117.44 107.02 2dj1 n TRP 127 Ca -0.05 0.45 -0.14 0.00 -0.00 0.00 0.00 57.50 57.76 2dj1 n TRP 127 Cb 0.60 -2.02 -0.12 0.00 -0.00 0.00 0.00 31.31 29.77 2dj1 n TRP 127 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2dj1 s THR 128 N -1.63 0.63 0.69 5.87 -4.23 -1.26 -4.98 115.64 110.73 2dj1 s THR 128 Ca 0.70 -1.03 -0.14 0.00 -1.18 0.00 0.00 61.69 60.05 2dj1 s THR 128 Cb -0.45 -0.66 0.02 0.00 1.34 0.00 0.00 72.50 72.75 2dj1 s THR 128 CO 0.52 -0.30 1.11 -2.16 -0.54 0.00 0.00 174.62 173.25 2dj1 s PRO 129 N -1.45 2.64 0.81 3.99 0.04 -1.26 -5.03 135.00 134.74 2dj1 s PRO 129 Ca -0.07 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.19 2dj1 s PRO 129 Cb -0.09 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.59 2dj1 s PRO 129 CO 0.01 -1.36 1.09 -1.25 0.04 0.00 0.00 177.00 175.52 2dj1 s PRO 130 N -4.33 1.97 0.00 0.56 0.04 -1.26 -4.91 135.00 127.08 2dj1 s PRO 130 Ca 0.65 1.07 0.15 0.00 0.04 0.00 0.00 61.00 62.91 2dj1 s PRO 130 Cb -0.20 -1.87 0.90 0.00 0.04 0.00 0.00 34.50 33.37 2dj1 s PRO 130 CO 0.46 -1.81 1.31 -0.35 0.04 0.00 0.00 177.00 176.65 2dj1 n PRO 131 N -3.62 0.49 -1.72 0.56 -0.04 -1.26 -4.12 135.00 125.29 2dj1 n PRO 131 Ca 0.08 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.15 2dj1 n PRO 131 Cb 0.54 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.50 2dj1 n PRO 131 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dj1 n GLU 132 N -0.98 4.10 -2.68 0.54 1.02 -1.26 -4.95 120.64 116.43 2dj1 n GLU 132 Ca 0.11 -2.91 -0.41 0.00 -0.02 0.00 0.00 57.16 53.93 2dj1 n GLU 132 Cb 0.05 -2.75 -0.04 0.00 -0.02 0.00 0.00 31.44 28.69 2dj1 n GLU 132 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2dj1 s VAL 133 N 0.49 4.55 -0.40 2.62 1.01 -1.26 -5.02 120.40 122.39 2dj1 s VAL 133 Ca 0.60 1.98 0.04 0.00 0.00 0.00 0.00 61.98 64.60 2dj1 s VAL 133 Cb 0.18 -4.27 0.11 0.00 0.00 0.00 0.00 36.38 32.40 2dj1 s VAL 133 CO -0.07 0.24 0.12 -0.89 0.00 0.00 0.00 175.10 174.49 2dj1 s THR 134 N 0.44 2.39 1.16 3.92 2.01 -1.26 -5.11 115.64 119.19 2dj1 s THR 134 Ca 0.50 -2.68 -0.13 0.00 0.31 0.00 0.00 61.69 59.69 2dj1 s THR 134 Cb -0.23 -2.73 0.27 0.00 0.01 0.00 0.00 72.50 69.82 2dj1 s THR 134 CO 0.30 -0.67 0.95 -1.20 -0.69 0.00 0.00 174.62 173.31 2dj1 n SER 135 N 3.86 -1.67 0.00 3.53 7.64 -1.26 -5.03 113.62 120.69 2dj1 n SER 135 Ca 0.04 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2dj1 n SER 135 Cb 0.39 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 2dj1 n SER 135 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dj1 n GLY 136 N 1.05 2.46 0.18 0.23 0.00 -1.26 -5.01 105.19 102.84 2dj1 n GLY 136 Ca 0.03 -0.60 0.14 0.00 0.00 0.00 0.00 46.02 45.60 2dj1 n GLY 136 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj1 h PRO 137 N 0.00 0.00 -6.37 1.61 0.13 -2.02 -3.45 132.00 121.91 2dj1 h PRO 137 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 2dj1 h PRO 137 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 2dj1 h PRO 137 CO 0.00 0.00 0.94 0.45 -0.23 0.00 0.00 178.00 179.16 2dj1 n SER 138 N -2.53 3.20 0.17 1.44 2.88 -1.26 -4.90 113.62 112.62 2dj1 n SER 138 Ca 0.01 1.03 -0.13 0.00 -1.33 0.00 0.00 58.87 58.45 2dj1 n SER 138 Cb 0.25 -1.38 -0.08 0.00 -0.75 0.00 0.00 64.21 62.25 2dj1 n SER 138 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dj1 h SER 139 N 7.58 -0.39 0.00 -3.46 0.87 -2.06 -3.52 113.55 112.57 2dj1 h SER 139 Ca -0.47 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 2dj1 h SER 139 Cb 1.27 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 2dj1 h SER 139 CO 0.92 -0.01 0.00 0.61 -0.53 0.00 0.00 176.83 177.82