#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dja s SER 2 N 0.00 -0.18 0.06 1.61 0.15 -1.26 -5.19 113.70 108.89 2dja s SER 2 Ca 0.00 0.04 -0.28 0.00 0.70 0.00 0.00 55.95 56.41 2dja s SER 2 Cb 0.00 0.18 0.09 0.00 -1.71 0.00 0.00 66.02 64.58 2dja s SER 2 CO 0.00 -0.27 1.11 -0.94 1.20 0.00 0.00 173.24 174.34 2dja s SER 3 N -1.98 -0.13 0.03 5.45 1.04 -1.26 -5.19 113.70 111.65 2dja s SER 3 Ca 0.08 -0.25 -0.10 0.00 0.48 0.00 0.00 55.95 56.16 2dja s SER 3 Cb -0.01 0.32 0.03 0.00 0.10 0.00 0.00 66.02 66.47 2dja s SER 3 CO -0.05 -0.59 0.45 0.61 0.98 0.00 0.00 173.24 174.64 2dja n GLY 4 N -0.45 0.73 3.68 7.32 0.00 -1.26 -5.19 105.19 110.03 2dja n GLY 4 Ca -0.07 -0.96 -0.05 0.00 0.00 0.00 0.00 46.02 44.94 2dja n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dja s SER 5 N -2.03 -0.25 0.01 1.61 1.04 -1.26 -5.19 113.70 107.63 2dja s SER 5 Ca 0.10 -0.30 -0.13 0.00 0.48 0.00 0.00 55.95 56.10 2dja s SER 5 Cb -0.01 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.62 2dja s SER 5 CO 0.01 -0.87 0.28 -0.55 0.98 0.00 0.00 173.24 173.09 2dja s SER 6 N -2.82 -0.13 0.00 7.02 0.15 -1.26 -5.18 113.70 111.48 2dja s SER 6 Ca 0.10 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2dja s SER 6 Cb -0.02 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2dja s SER 6 CO -0.01 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2dja n GLY 7 N 1.07 3.47 2.79 9.45 0.00 -1.26 -5.14 105.19 115.58 2dja n GLY 7 Ca -0.21 -1.98 -0.18 0.00 0.00 0.00 0.00 46.02 43.65 2dja n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dja s VAL 8 N 2.02 -0.27 0.33 1.61 0.11 -1.26 -5.13 120.40 117.81 2dja s VAL 8 Ca 0.00 0.17 -0.27 0.00 -2.93 0.00 0.00 61.98 58.95 2dja s VAL 8 Cb 0.00 -0.44 -0.13 0.00 -1.53 0.00 0.00 36.38 34.28 2dja s VAL 8 CO 0.00 0.00 0.95 -1.84 -3.33 0.00 0.00 175.10 170.88 2dja n GLU 9 N 5.32 1.23 -2.17 1.54 0.28 -1.26 -4.87 120.64 120.71 2dja n GLU 9 Ca -0.05 0.43 -0.42 0.00 -0.16 0.00 0.00 57.16 56.96 2dja n GLU 9 Cb 0.50 -1.82 -0.03 0.00 1.43 0.00 0.00 31.44 31.52 2dja n GLU 9 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2dja s PRO 10 N -1.63 4.26 -0.17 3.44 0.04 -1.26 -5.01 135.00 134.67 2dja s PRO 10 Ca 0.60 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.53 2dja s PRO 10 Cb -0.67 -3.62 -0.05 0.00 0.04 0.00 0.00 34.50 30.21 2dja s PRO 10 CO 0.59 -0.63 0.28 0.08 0.04 0.00 0.00 177.00 177.36 2dja s VAL 11 N 2.61 5.32 0.26 -0.36 1.01 -1.26 -5.06 120.40 122.91 2dja s VAL 11 Ca 0.66 0.51 -0.30 0.00 0.00 0.00 0.00 61.98 62.85 2dja s VAL 11 Cb -0.32 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 2dja s VAL 11 CO 0.27 0.39 1.26 -2.16 0.00 0.00 0.00 175.10 174.86 2dja s PRO 12 N 0.48 4.43 -0.27 2.72 0.04 -1.26 -5.01 135.00 136.13 2dja s PRO 12 Ca 0.16 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 63.09 2dja s PRO 12 Cb -0.13 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 2dja s PRO 12 CO 0.03 -0.13 0.38 0.16 0.04 0.00 0.00 177.00 177.48 2dja s ASP 13 N -0.18 6.25 0.33 6.66 -4.77 -1.26 -5.03 116.67 118.68 2dja s ASP 13 Ca 0.52 0.26 -0.22 0.00 -3.30 0.00 0.00 52.55 49.80 2dja s ASP 13 Cb -0.36 -2.21 -0.15 0.00 -1.09 0.00 0.00 42.92 39.10 2dja s ASP 13 CO 0.43 -0.20 0.20 0.35 0.70 0.00 0.00 175.17 176.66 2dja n THR 14 N 5.13 1.00 -1.96 2.11 -2.24 -1.26 -4.92 114.28 112.14 2dja n THR 14 Ca -0.08 -0.48 -0.30 0.00 -2.27 0.00 0.00 64.05 60.91 2dja n THR 14 Cb 0.51 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.75 2dja n THR 14 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2dja s HIS 15 N -1.43 3.57 0.79 4.78 0.09 -1.26 -5.04 115.29 116.79 2dja s HIS 15 Ca 0.59 1.19 -0.11 0.00 -0.00 0.00 0.00 55.06 56.73 2dja s HIS 15 Cb -0.70 -2.72 0.07 0.00 -0.00 0.00 0.00 32.58 29.23 2dja s HIS 15 CO 0.59 -0.72 1.12 -0.51 -0.00 0.00 0.00 174.74 175.22 2dja s LEU 16 N -5.16 3.05 -0.28 0.89 1.43 -1.26 -5.03 118.68 112.32 2dja s LEU 16 Ca 0.55 1.99 0.03 0.00 -1.03 0.00 0.00 54.13 55.67 2dja s LEU 16 Cb -0.11 -4.54 0.07 0.00 0.03 0.00 0.00 46.19 41.64 2dja s LEU 16 CO 0.53 -2.30 -0.05 -0.60 0.23 0.00 0.00 176.35 174.15 2dja s ARG 17 N -4.65 1.92 0.30 1.70 3.52 -1.26 -5.06 118.95 115.41 2dja s ARG 17 Ca 0.64 -1.48 0.00 0.00 -0.13 0.00 0.00 55.73 54.76 2dja s ARG 17 Cb -0.20 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 2dja s ARG 17 CO 0.54 -0.70 0.00 0.41 -0.81 0.00 0.00 175.30 174.74 2dja n GLY 18 N 4.40 -1.65 3.62 8.12 0.00 -1.26 -4.53 105.19 113.89 2dja n GLY 18 Ca -0.08 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 2dja n GLY 18 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dja s ILE 19 N -2.16 3.88 0.37 -0.61 1.01 -1.26 -4.99 121.20 117.44 2dja s ILE 19 Ca 0.00 0.98 0.04 0.00 0.00 0.00 0.00 60.65 61.66 2dja s ILE 19 Cb 0.00 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 2dja s ILE 19 CO 0.00 -0.44 0.12 0.42 0.00 0.00 0.00 174.94 175.04 2dja s THR 20 N 5.03 0.68 0.41 2.92 -4.23 -1.26 -4.69 115.64 114.50 2dja s THR 20 Ca 0.65 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.92 2dja s THR 20 Cb -0.20 -2.48 -0.09 0.00 1.34 0.00 0.00 72.50 71.07 2dja s THR 20 CO 0.28 0.00 1.03 0.00 -0.54 0.00 0.00 174.62 175.39 2dja h LEU 22 N 2.30 -0.18 -0.37 0.00 3.38 -1.92 -2.61 115.31 115.90 2dja h LEU 22 Ca -0.48 0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.57 2dja h LEU 22 Cb 1.21 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.96 2dja h LEU 22 CO 0.62 -0.09 -0.01 0.44 0.09 0.00 0.00 178.44 179.49 2dja h ASP 23 N -0.15 -0.17 -3.49 -0.43 3.32 -2.00 -3.34 116.42 110.18 2dja h ASP 23 Ca -0.01 0.09 -0.70 0.00 0.02 0.00 0.00 57.03 56.42 2dja h ASP 23 Cb 0.12 0.16 -0.33 0.00 0.22 0.00 0.00 39.33 39.50 2dja h ASP 23 CO 0.00 -0.05 -0.49 -1.00 -1.72 0.00 0.00 179.24 175.98 2dja s HIS 24 N -6.18 3.54 -0.01 4.55 3.76 -1.19 -4.96 115.29 114.80 2dja s HIS 24 Ca -0.13 -2.31 -0.00 0.00 -0.15 0.00 0.00 55.06 52.47 2dja s HIS 24 Cb 0.13 -3.30 0.01 0.00 1.11 0.00 0.00 32.58 30.53 2dja s HIS 24 CO 0.71 -0.97 1.96 -0.85 -0.85 0.00 0.00 174.74 174.73 2dja n GLU 25 N 4.59 1.03 0.00 1.40 0.28 -0.99 -2.24 120.64 124.70 2dja n GLU 25 Ca -0.03 -0.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 2dja n GLU 25 Cb 0.41 -1.02 0.00 0.00 1.43 0.00 0.00 31.44 32.26 2dja n GLU 25 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2dja n ASN 26 N 1.42 0.76 -4.77 -1.84 5.03 -1.26 -4.85 115.26 109.74 2dja n ASN 26 Ca 0.01 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.07 2dja n ASN 26 Cb 0.50 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.21 2dja n ASN 26 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2dja s GLU 27 N -1.48 4.48 -0.26 3.52 0.41 -1.22 -4.94 118.70 119.22 2dja s GLU 27 Ca 0.00 1.04 -0.25 0.00 -0.41 0.00 0.00 54.97 55.36 2dja s GLU 27 Cb 0.00 -3.29 -0.00 0.00 -1.78 0.00 0.00 34.13 29.06 2dja s GLU 27 CO 0.00 0.50 0.85 0.15 -0.49 0.00 0.00 175.26 176.26 2dja s LYS 28 N -0.80 4.14 -0.69 1.61 -0.14 -1.26 -2.21 119.74 120.40 2dja s LYS 28 Ca 0.35 0.91 -0.29 0.00 -1.36 0.00 0.00 55.97 55.58 2dja s LYS 28 Cb -0.22 -3.66 -0.14 0.00 -1.68 0.00 0.00 37.83 32.13 2dja s LYS 28 CO 0.24 -0.57 2.51 1.33 -0.76 0.00 0.00 175.35 178.10 2dja n VAL 29 N 5.34 -0.02 -1.29 3.17 0.24 -1.26 -4.64 118.33 119.86 2dja n VAL 29 Ca 0.06 -0.41 -0.00 0.00 -2.04 0.00 0.00 64.34 61.94 2dja n VAL 29 Cb 0.47 -1.72 0.22 0.00 -1.47 0.00 0.00 33.84 31.34 2dja n VAL 29 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2dja n ASN 30 N 13.05 2.95 -3.88 -1.34 6.94 -1.11 -4.91 115.26 126.96 2dja n ASN 30 Ca 0.50 -3.51 -0.10 0.00 -0.02 0.00 0.00 54.58 51.44 2dja n ASN 30 Cb 0.30 -0.61 -0.06 0.00 -2.36 0.00 0.00 39.78 37.05 2dja n ASN 30 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2dja s MET 31 N -3.11 1.58 -0.18 -3.83 -1.94 -0.97 -3.72 119.30 107.12 2dja s MET 31 Ca 0.44 -1.39 -0.05 0.00 -1.71 0.00 0.00 55.69 52.98 2dja s MET 31 Cb 0.38 0.44 0.07 0.00 2.01 0.00 0.00 34.83 37.74 2dja s MET 31 CO 0.03 -0.64 0.12 -0.47 -0.01 0.00 0.00 175.02 174.04 2dja s TYR 32 N -3.84 0.11 -0.35 -0.03 5.04 -1.26 -2.51 117.35 114.50 2dja s TYR 32 Ca 0.26 -0.24 -0.29 0.00 -2.44 0.00 0.00 57.07 54.36 2dja s TYR 32 Cb 0.00 -0.64 0.00 0.00 0.35 0.00 0.00 41.96 41.68 2dja s TYR 32 CO 0.11 -0.54 1.38 0.00 -1.34 0.00 0.00 175.55 175.16 2dja h VAL 34 N 6.23 1.29 -0.22 0.00 2.07 -1.68 0.12 116.25 124.06 2dja h VAL 34 Ca -0.27 -1.78 0.05 0.00 0.82 0.00 0.00 66.70 65.52 2dja h VAL 34 Cb 1.11 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 32.51 2dja h VAL 34 CO 1.06 0.57 -0.48 -1.28 0.02 0.00 0.00 177.57 177.46 2dja h SER 35 N 0.59 -1.53 -0.58 0.57 0.87 -1.91 -1.11 113.55 110.45 2dja h SER 35 Ca 0.01 0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 2dja h SER 35 Cb 1.16 0.62 -0.01 0.00 -0.44 0.00 0.00 62.40 63.74 2dja h SER 35 CO 0.12 -0.43 0.02 -0.90 -0.53 0.00 0.00 176.83 175.11 2dja n ASP 36 N -5.43 5.61 -3.88 6.23 5.68 -1.24 -4.93 116.55 118.59 2dja n ASP 36 Ca -0.04 -2.94 -0.27 0.00 -0.50 0.00 0.00 54.79 51.04 2dja n ASP 36 Cb 0.37 -0.69 -0.07 0.00 -1.14 0.00 0.00 41.12 39.58 2dja n ASP 36 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2dja n ASP 37 N 0.55 -0.05 -4.14 -1.12 -0.08 -0.13 -4.89 116.55 106.69 2dja n ASP 37 Ca 0.28 -0.97 -0.13 0.00 -1.51 0.00 0.00 54.79 52.46 2dja n ASP 37 Cb 1.20 -1.22 -0.11 0.00 2.34 0.00 0.00 41.12 43.33 2dja n ASP 37 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 2dja s GLN 38 N -6.16 0.76 0.18 -0.67 0.74 0.23 -4.97 119.66 109.77 2dja s GLN 38 Ca 0.24 -1.07 -0.21 0.00 0.05 0.00 0.00 55.36 54.37 2dja s GLN 38 Cb -0.14 -0.42 -0.08 0.00 1.10 0.00 0.00 33.01 33.47 2dja s GLN 38 CO 0.78 0.06 0.70 -0.51 -0.55 0.00 0.00 175.29 175.77 2dja s LEU 39 N -2.29 4.43 0.29 3.68 1.43 -1.26 0.12 118.68 125.08 2dja s LEU 39 Ca 0.02 1.43 0.05 0.00 -1.03 0.00 0.00 54.13 54.59 2dja s LEU 39 Cb -0.04 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 2dja s LEU 39 CO -0.01 0.11 0.23 0.27 0.23 0.00 0.00 176.35 177.18 2dja s ILE 40 N -1.37 0.03 0.19 -0.59 -4.36 -1.05 -4.84 121.20 109.20 2dja s ILE 40 Ca 0.39 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.79 2dja s ILE 40 Cb -0.18 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.04 2dja s ILE 40 CO 0.22 0.00 0.12 0.00 0.24 0.00 0.00 174.94 175.52 2dja h ALA 42 N 0.79 -0.21 -0.75 0.00 0.00 -1.93 -2.99 119.26 114.17 2dja h ALA 42 Ca -0.13 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.75 2dja h ALA 42 Cb 0.45 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2dja h ALA 42 CO 0.20 -0.55 0.43 -0.07 0.00 0.00 0.00 179.25 179.26 2dja h LEU 43 N -0.34 0.65 -0.78 0.00 3.38 -1.97 0.33 115.31 116.59 2dja h LEU 43 Ca -0.02 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.15 2dja h LEU 43 Cb 0.27 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 40.80 2dja h LEU 43 CO 0.04 0.42 0.21 0.00 0.09 0.00 0.00 178.44 179.19 2dja h LYS 45 N 0.28 0.41 0.00 0.00 3.11 -1.27 -1.91 116.57 117.20 2dja h LYS 45 Ca 0.45 -0.70 0.00 0.00 -2.81 0.00 0.00 60.65 57.58 2dja h LYS 45 Cb 0.79 0.26 0.00 0.00 -1.00 0.00 0.00 32.23 32.28 2dja h LYS 45 CO -0.53 1.32 0.00 1.28 -2.81 0.00 0.00 179.45 178.71 2dja n LEU 46 N -3.61 0.11 -2.26 5.20 4.32 0.11 -4.29 117.00 116.59 2dja n LEU 46 Ca -0.18 0.65 -0.20 0.00 -0.02 0.00 0.00 56.01 56.27 2dja n LEU 46 Cb 1.08 -0.18 0.02 0.00 -1.62 0.00 0.00 43.42 42.71 2dja n LEU 46 CO 0.55 -0.18 0.14 1.33 -1.22 0.00 0.00 177.39 178.00 2dja n VAL 47 N -1.05 2.22 -2.34 4.08 0.24 0.56 -4.89 118.33 117.15 2dja n VAL 47 Ca 0.00 -4.04 0.00 0.00 -2.04 0.00 0.00 64.34 58.26 2dja n VAL 47 Cb 0.00 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 31.72 2dja n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dja n GLY 48 N -0.63 5.01 1.44 7.63 0.00 0.04 -4.87 105.19 113.81 2dja n GLY 48 Ca 0.35 -1.99 -0.03 0.00 0.00 0.00 0.00 46.02 44.36 2dja n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dja n ARG 49 N 0.00 2.65 -2.30 1.61 1.74 -1.17 -4.03 116.66 115.16 2dja n ARG 49 Ca 0.00 -1.75 -0.12 0.00 -0.77 0.00 0.00 57.85 55.20 2dja n ARG 49 Cb 0.00 -1.84 0.04 0.00 -1.02 0.00 0.00 32.46 29.64 2dja n ARG 49 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2dja n HIS 50 N 0.06 1.98 -2.26 -1.55 8.25 -0.87 -5.06 115.22 115.77 2dja n HIS 50 Ca 0.23 -2.12 -0.40 0.00 -0.26 0.00 0.00 57.72 55.16 2dja n HIS 50 Cb 0.93 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.72 2dja n HIS 50 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2dja s ARG 51 N -3.59 4.46 -1.64 -0.41 6.06 -1.26 -3.10 118.95 119.48 2dja s ARG 51 Ca 0.40 2.05 -0.15 0.00 -2.50 0.00 0.00 55.73 55.53 2dja s ARG 51 Cb 0.37 -3.11 0.12 0.00 0.06 0.00 0.00 34.95 32.40 2dja s ARG 51 CO -0.00 -0.04 0.76 -0.40 -2.50 0.00 0.00 175.30 173.12 2dja n ASP 52 N 0.93 -3.09 -5.01 -2.12 5.68 -1.26 -4.95 116.55 106.73 2dja n ASP 52 Ca -0.00 -0.98 -0.17 0.00 -0.50 0.00 0.00 54.79 53.14 2dja n ASP 52 Cb 0.43 -2.97 0.01 0.00 -1.14 0.00 0.00 41.12 37.45 2dja n ASP 52 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 2dja s HIS 53 N -3.39 2.81 -0.95 2.11 3.76 -1.18 -5.05 115.29 113.41 2dja s HIS 53 Ca 0.62 -0.39 -0.16 0.00 -0.15 0.00 0.00 55.06 54.98 2dja s HIS 53 Cb -0.33 -2.39 0.17 0.00 1.11 0.00 0.00 32.58 31.14 2dja s HIS 53 CO 0.91 -0.43 1.06 -1.14 -0.85 0.00 0.00 174.74 174.28 2dja s GLN 54 N -4.36 3.71 -0.09 1.40 0.74 -1.26 -5.02 119.66 114.78 2dja s GLN 54 Ca 0.55 -2.18 -0.03 0.00 0.05 0.00 0.00 55.36 53.76 2dja s GLN 54 Cb -0.10 -4.77 -0.03 0.00 1.10 0.00 0.00 33.01 29.21 2dja s GLN 54 CO 0.33 -1.59 0.03 0.14 -0.55 0.00 0.00 175.29 173.65 2dja s VAL 55 N 1.52 4.52 -0.45 1.34 -7.23 -1.26 -2.12 120.40 116.72 2dja s VAL 55 Ca 0.29 -0.18 -0.03 0.00 -1.81 0.00 0.00 61.98 60.25 2dja s VAL 55 Cb -0.06 -2.92 0.12 0.00 0.56 0.00 0.00 36.38 34.07 2dja s VAL 55 CO -0.08 0.60 0.25 0.00 -0.31 0.00 0.00 175.10 175.56 2dja s ALA 56 N -0.92 3.24 -0.41 1.32 0.00 -1.19 -4.98 121.76 118.82 2dja s ALA 56 Ca 0.14 -2.67 -0.45 0.00 0.00 0.00 0.00 51.96 48.98 2dja s ALA 56 Cb -0.11 -2.48 -0.20 0.00 0.00 0.00 0.00 23.12 20.33 2dja s ALA 56 CO 0.03 -1.86 1.55 -1.13 0.00 0.00 0.00 175.76 174.35 2dja n SER 57 N 4.41 1.20 0.07 0.00 3.41 -1.26 -4.18 113.62 117.28 2dja n SER 57 Ca -0.01 1.17 -0.13 0.00 -0.26 0.00 0.00 58.87 59.65 2dja n SER 57 Cb 0.41 -0.92 -0.09 0.00 -0.26 0.00 0.00 64.21 63.36 2dja n SER 57 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2dja h LEU 58 N 5.00 -0.18-10.21 1.04 3.38 -1.94 -3.45 115.31 108.95 2dja h LEU 58 Ca -0.45 -0.31 -0.48 0.00 0.09 0.00 0.00 57.88 56.73 2dja h LEU 58 Cb 1.37 0.05 0.20 0.00 0.09 0.00 0.00 40.66 42.37 2dja h LEU 58 CO 0.94 0.24 0.12 0.20 0.09 0.00 0.00 178.44 180.04 2dja s ASN 59 N -5.37 2.01 1.14 -0.43 -0.87 -1.26 -5.01 114.94 105.15 2dja s ASN 59 Ca -0.14 1.83 -0.17 0.00 -1.57 0.00 0.00 52.86 52.80 2dja s ASN 59 Cb 0.02 -2.42 0.26 0.00 -0.02 0.00 0.00 41.25 39.08 2dja s ASN 59 CO 0.58 -3.61 1.12 -1.81 -2.57 0.00 0.00 177.10 170.81 2dja s ASP 60 N -2.64 1.50 -0.06 -1.22 1.11 -1.26 -5.07 116.67 109.02 2dja s ASP 60 Ca 0.67 0.73 -0.00 0.00 0.18 0.00 0.00 52.55 54.13 2dja s ASP 60 Cb -0.24 -1.06 0.03 0.00 1.07 0.00 0.00 42.92 42.72 2dja s ASP 60 CO 0.61 -3.78 -0.02 -0.13 1.18 0.00 0.00 175.17 173.03 2dja s ARG 61 N -5.34 0.77 1.15 8.23 1.81 -1.26 -5.13 118.95 119.17 2dja s ARG 61 Ca 0.70 -0.00 -0.17 0.00 -1.72 0.00 0.00 55.73 54.54 2dja s ARG 61 Cb -0.11 -0.97 0.26 0.00 -0.45 0.00 0.00 34.95 33.67 2dja s ARG 61 CO 0.56 -0.22 1.09 -0.06 -0.68 0.00 0.00 175.30 175.99 2dja s PHE 62 N 1.55 1.03 -0.28 -0.53 0.08 -1.26 -5.08 117.98 113.49 2dja s PHE 62 Ca -0.01 0.71 -0.21 0.00 0.12 0.00 0.00 56.93 57.55 2dja s PHE 62 Cb -0.13 -3.32 0.11 0.00 -0.57 0.00 0.00 43.02 39.10 2dja s PHE 62 CO -0.04 -3.64 0.87 -1.83 -0.10 0.00 0.00 175.22 170.49 2dja s GLU 63 N -5.16 0.59 -1.03 0.44 4.04 -1.26 -4.97 118.70 111.35 2dja s GLU 63 Ca 0.69 0.84 -0.03 0.00 0.04 0.00 0.00 54.97 56.51 2dja s GLU 63 Cb -0.14 0.21 0.00 0.00 0.02 0.00 0.00 34.13 34.22 2dja s GLU 63 CO 0.57 -0.09 0.87 1.63 -1.84 0.00 0.00 175.26 176.40 2dja n LYS 64 N 3.18 -5.83 0.01 -4.83 4.01 -1.26 -4.94 118.16 108.50 2dja n LYS 64 Ca -0.16 0.69 -0.01 0.00 -0.51 0.00 0.00 58.31 58.31 2dja n LYS 64 Cb 0.57 -5.26 -0.00 0.00 -0.51 0.00 0.00 35.03 29.83 2dja n LYS 64 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2dja n LEU 65 N -3.79 0.59 -4.38 -0.35 0.00 -1.26 -5.07 117.00 102.73 2dja n LEU 65 Ca -0.15 0.08 -0.30 0.00 0.00 0.00 0.00 56.01 55.65 2dja n LEU 65 Cb 0.61 -0.19 0.27 0.00 0.00 0.00 0.00 43.42 44.11 2dja n LEU 65 CO 0.51 -0.29 0.46 -0.75 0.00 0.00 0.00 177.39 177.32 2dja s LYS 66 N -2.05 -2.19 0.35 1.96 2.20 -1.26 -5.06 119.74 113.69 2dja s LYS 66 Ca -0.02 0.32 0.07 0.00 -0.36 0.00 0.00 55.97 55.98 2dja s LYS 66 Cb 0.01 -1.45 -0.07 0.00 -1.51 0.00 0.00 37.83 34.81 2dja s LYS 66 CO 0.03 -4.43 -0.03 -1.14 -0.36 0.00 0.00 175.35 169.42 2dja s GLN 67 N -4.91 1.79 -0.21 4.03 0.74 -1.26 -5.07 119.66 114.76 2dja s GLN 67 Ca 0.69 -1.96 -0.03 0.00 0.05 0.00 0.00 55.36 54.11 2dja s GLN 67 Cb -0.17 -1.45 -0.12 0.00 1.10 0.00 0.00 33.01 32.38 2dja s GLN 67 CO 0.60 0.01 -0.21 -2.37 -0.55 0.00 0.00 175.29 172.77 2dja n THR 68 N -0.79 1.17 -2.54 -0.34 5.66 -1.26 -4.89 114.28 111.29 2dja n THR 68 Ca -0.05 -0.40 -0.42 0.00 -3.05 0.00 0.00 64.05 60.13 2dja n THR 68 Cb 0.65 -1.41 -0.02 0.00 -1.55 0.00 0.00 70.33 68.00 2dja n THR 68 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 2dja s LEU 69 N -6.51 3.45 -0.17 1.09 2.34 -1.26 -4.86 118.68 112.76 2dja s LEU 69 Ca -0.28 0.17 -0.15 0.00 0.06 0.00 0.00 54.13 53.92 2dja s LEU 69 Cb 0.09 -3.17 -0.05 0.00 -0.56 0.00 0.00 46.19 42.49 2dja s LEU 69 CO 0.44 -1.51 -0.30 -0.62 -1.06 0.00 0.00 176.35 173.30 2dja n GLU 70 N 8.45 0.51 -3.33 1.48 1.02 -1.26 -5.01 120.64 122.50 2dja n GLU 70 Ca 0.09 0.31 -0.22 0.00 -0.02 0.00 0.00 57.16 57.32 2dja n GLU 70 Cb 0.49 -1.51 -0.00 0.00 -0.02 0.00 0.00 31.44 30.40 2dja n GLU 70 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 2dja s MET 71 N -2.70 3.23 -0.27 3.49 1.75 -1.26 -5.12 119.30 118.41 2dja s MET 71 Ca -0.25 -0.62 -0.26 0.00 -1.25 0.00 0.00 55.69 53.31 2dja s MET 71 Cb 0.04 -2.69 0.13 0.00 2.84 0.00 0.00 34.83 35.15 2dja s MET 71 CO 0.37 0.00 1.09 0.54 -0.65 0.00 0.00 175.02 176.37 2dja s ASN 72 N -4.13 -0.38 0.02 1.11 4.22 -1.26 -5.18 114.94 109.34 2dja s ASN 72 Ca 0.44 0.71 0.02 0.00 -2.14 0.00 0.00 52.86 51.89 2dja s ASN 72 Cb -0.10 0.71 -0.02 0.00 1.28 0.00 0.00 41.25 43.13 2dja s ASN 72 CO 0.35 -0.15 -0.08 -1.48 -2.04 0.00 0.00 177.10 173.70 2dja s LEU 73 N 0.07 2.14 -0.22 3.54 0.05 -1.26 -5.13 118.68 117.87 2dja s LEU 73 Ca 0.03 -0.34 -0.04 0.00 0.05 0.00 0.00 54.13 53.83 2dja s LEU 73 Cb -0.05 -0.28 0.09 0.00 -2.05 0.00 0.00 46.19 43.90 2dja s LEU 73 CO -0.07 -0.05 0.16 0.42 -0.55 0.00 0.00 176.35 176.26 2dja s THR 74 N -0.76 -0.20 -0.23 5.48 -4.23 -1.26 -5.11 115.64 109.33 2dja s THR 74 Ca -0.03 -0.29 -0.01 0.00 -1.18 0.00 0.00 61.69 60.17 2dja s THR 74 Cb -0.06 -0.73 0.07 0.00 1.34 0.00 0.00 72.50 73.12 2dja s THR 74 CO 0.00 -0.36 0.01 0.20 -0.54 0.00 0.00 174.62 173.94 2dja s ASN 75 N 2.22 3.48 -0.29 3.99 0.02 -1.26 -5.10 114.94 118.00 2dja s ASN 75 Ca 0.06 -1.11 -0.21 0.00 -1.02 0.00 0.00 52.86 50.58 2dja s ASN 75 Cb -0.16 -0.87 0.16 0.00 0.02 0.00 0.00 41.25 40.41 2dja s ASN 75 CO -0.18 -0.30 1.17 -1.48 0.02 0.00 0.00 177.10 176.33 2dja s LEU 76 N 1.63 -0.28 0.28 0.60 2.34 -1.26 -5.18 118.68 116.81 2dja s LEU 76 Ca -0.01 0.50 0.07 0.00 0.06 0.00 0.00 54.13 54.75 2dja s LEU 76 Cb -0.18 1.48 -0.03 0.00 -0.56 0.00 0.00 46.19 46.90 2dja s LEU 76 CO -0.10 -0.08 0.25 0.68 -1.06 0.00 0.00 176.35 176.04 2dja s VAL 77 N 0.63 4.16 -0.17 1.48 -7.23 -1.26 -5.13 120.40 112.88 2dja s VAL 77 Ca -0.01 -1.35 -0.32 0.00 -1.81 0.00 0.00 61.98 58.49 2dja s VAL 77 Cb -0.04 -3.35 0.14 0.00 0.56 0.00 0.00 36.38 33.68 2dja s VAL 77 CO -0.12 -0.28 1.13 -1.59 -0.31 0.00 0.00 175.10 173.94 2dja s LYS 78 N -3.92 0.41 0.19 4.82 -2.85 -1.26 -5.19 119.74 111.95 2dja s LYS 78 Ca 0.36 -0.05 -0.23 0.00 -1.00 0.00 0.00 55.97 55.06 2dja s LYS 78 Cb -0.07 0.19 0.05 0.00 -2.06 0.00 0.00 37.83 35.94 2dja s LYS 78 CO 0.26 -0.16 0.65 0.45 0.10 0.00 0.00 175.35 176.66 2dja s SER 79 N -1.71 -0.46 0.00 0.03 0.15 -1.26 -5.14 113.70 105.31 2dja s SER 79 Ca 0.06 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.50 2dja s SER 79 Cb -0.01 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2dja s SER 79 CO -0.04 -1.08 0.00 0.61 1.20 0.00 0.00 173.24 173.93 2dja n GLY 80 N -0.40 0.21 3.61 9.45 0.00 -1.26 -5.17 105.19 111.62 2dja n GLY 80 Ca -0.12 0.45 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 2dja n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dja s PRO 81 N 0.00 -0.97 -0.12 1.61 0.04 -1.26 -5.09 135.00 129.21 2dja s PRO 81 Ca 0.00 0.02 -0.30 0.00 0.04 0.00 0.00 61.00 60.76 2dja s PRO 81 Cb 0.00 -1.62 0.12 0.00 0.04 0.00 0.00 34.50 33.05 2dja s PRO 81 CO 0.00 -3.56 1.01 -1.12 0.04 0.00 0.00 177.00 173.37 2dja s SER 82 N -3.82 -0.32 0.01 6.66 0.01 -1.26 -5.19 113.70 109.79 2dja s SER 82 Ca 0.70 0.21 -0.29 0.00 1.31 0.00 0.00 55.95 57.87 2dja s SER 82 Cb -0.11 0.29 0.11 0.00 0.21 0.00 0.00 66.02 66.52 2dja s SER 82 CO 0.56 -0.40 1.22 -0.44 0.41 0.00 0.00 173.24 174.59 2dja s SER 83 N -1.67 -0.08 0.00 2.44 0.01 -1.26 -5.38 113.70 107.76 2dja s SER 83 Ca 0.02 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2dja s SER 83 Cb -0.01 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2dja s SER 83 CO -0.03 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.81