#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 -0.05 0.16 1.61 0.15 -1.26 -5.19 113.70 109.13 2dja s SER 2 Ca 0.00 -0.89 -0.03 0.00 0.70 0.00 0.00 55.95 55.73 2dja s SER 2 Cb 0.00 0.72 -0.03 0.00 -1.71 0.00 0.00 66.02 65.00 2dja s SER 2 CO 0.00 -1.40 0.15 -0.55 1.20 0.00 0.00 173.24 172.63 2dja s SER 3 N -3.12 0.19 0.00 5.45 0.15 -1.26 -5.18 113.70 109.93 2dja s SER 3 Ca 0.16 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 55.64 2dja s SER 3 Cb -0.04 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2dja s SER 3 CO 0.08 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.32 2dja n GLY 4 N -0.18 5.44 3.78 9.45 0.00 -1.26 -5.19 105.19 117.22 2dja n GLY 4 Ca -0.04 -1.32 -0.03 0.00 0.00 0.00 0.00 46.02 44.64 2dja n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dja s SER 5 N 1.00 -0.13 -0.14 1.61 0.01 -1.26 -5.16 113.70 109.63 2dja s SER 5 Ca 0.00 -0.47 0.02 0.00 1.31 0.00 0.00 55.95 56.82 2dja s SER 5 Cb 0.00 0.49 0.01 0.00 0.21 0.00 0.00 66.02 66.73 2dja s SER 5 CO 0.00 -0.92 -0.21 -0.55 0.41 0.00 0.00 173.24 171.97 2dja s SER 6 N -3.03 3.15 -0.67 2.44 0.15 -1.26 -5.06 113.70 109.41 2dja s SER 6 Ca 0.14 -0.60 -0.26 0.00 0.70 0.00 0.00 55.95 55.93 2dja s SER 6 Cb -0.01 -1.45 -0.05 0.00 -1.71 0.00 0.00 66.02 62.79 2dja s SER 6 CO 0.03 0.08 2.07 -0.83 1.20 0.00 0.00 173.24 175.79 2dja s GLY 7 N 0.84 -0.08 0.10 9.45 0.00 -1.26 -4.93 107.32 111.45 2dja s GLY 7 Ca -0.06 -0.70 0.05 0.00 0.00 0.00 0.00 44.72 44.01 2dja s GLY 7 CO -0.02 3.70 -0.13 -1.34 0.00 0.00 0.00 173.10 175.30 2dja s VAL 8 N 10.70 1.14 0.56 1.40 -7.23 -1.26 -5.12 120.40 120.58 2dja s VAL 8 Ca 0.78 -1.53 -0.16 0.00 -1.81 0.00 0.00 61.98 59.26 2dja s VAL 8 Cb -0.12 -1.30 -0.13 0.00 0.56 0.00 0.00 36.38 35.38 2dja s VAL 8 CO 0.16 -0.38 -0.26 -0.62 -0.31 0.00 0.00 175.10 173.69 2dja n GLU 9 N 0.84 0.00 -2.20 4.82 -0.58 -1.26 -4.81 120.64 117.45 2dja n GLU 9 Ca -0.18 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.14 2dja n GLU 9 Cb 0.56 -0.90 -0.03 0.00 -0.57 0.00 0.00 31.44 30.50 2dja n GLU 9 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2dja s PRO 10 N -1.11 4.33 -0.18 3.49 0.04 -1.26 -5.02 135.00 135.29 2dja s PRO 10 Ca 0.48 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.50 2dja s PRO 10 Cb -0.38 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 2dja s PRO 10 CO 0.63 -0.44 -0.00 0.54 0.04 0.00 0.00 177.00 177.77 2dja s VAL 11 N 1.29 4.14 -0.60 -0.36 0.11 -1.26 -5.05 120.40 118.66 2dja s VAL 11 Ca 0.64 -0.26 -0.27 0.00 -2.93 0.00 0.00 61.98 59.16 2dja s VAL 11 Cb -0.35 -2.84 -0.02 0.00 -1.53 0.00 0.00 36.38 31.63 2dja s VAL 11 CO 0.30 0.47 1.85 -2.16 -3.33 0.00 0.00 175.10 172.22 2dja s PRO 12 N 0.55 2.67 0.20 1.54 0.04 -1.26 -4.94 135.00 133.80 2dja s PRO 12 Ca -0.01 0.64 -0.04 0.00 0.04 0.00 0.00 61.00 61.63 2dja s PRO 12 Cb -0.14 -4.38 -0.03 0.00 0.04 0.00 0.00 34.50 29.99 2dja s PRO 12 CO 0.02 -2.68 0.20 0.34 0.04 0.00 0.00 177.00 174.91 2dja s ASP 13 N 7.95 0.11 -0.66 6.66 2.15 -1.26 -5.08 116.67 126.56 2dja s ASP 13 Ca 0.67 -1.26 -0.26 0.00 0.43 0.00 0.00 52.55 52.14 2dja s ASP 13 Cb -0.13 0.41 -0.09 0.00 -0.30 0.00 0.00 42.92 42.81 2dja s ASP 13 CO 0.21 -0.89 2.34 0.42 -0.17 0.00 0.00 175.17 177.08 2dja s THR 14 N -4.11 3.06 -0.72 1.71 -4.23 -1.26 -4.89 115.64 105.20 2dja s THR 14 Ca 0.33 -0.01 -0.15 0.00 -1.18 0.00 0.00 61.69 60.67 2dja s THR 14 Cb 0.05 -3.16 0.18 0.00 1.34 0.00 0.00 72.50 70.91 2dja s THR 14 CO 0.10 -0.15 0.70 -2.28 -0.54 0.00 0.00 174.62 172.45 2dja s HIS 15 N 12.97 3.49 0.51 3.99 2.46 -1.26 -5.05 115.29 132.41 2dja s HIS 15 Ca 0.91 -1.64 -0.21 0.00 0.47 0.00 0.00 55.06 54.59 2dja s HIS 15 Cb -0.14 -3.86 -0.08 0.00 -0.13 0.00 0.00 32.58 28.36 2dja s HIS 15 CO 0.16 -1.06 0.87 1.28 -2.47 0.00 0.00 174.74 173.51 2dja n LEU 16 N 4.75 2.46 -4.80 8.88 7.99 -1.26 -4.95 117.00 130.06 2dja n LEU 16 Ca 0.04 0.89 -0.38 0.00 -0.01 0.00 0.00 56.01 56.54 2dja n LEU 16 Cb 0.45 -1.31 -0.06 0.00 -0.11 0.00 0.00 43.42 42.38 2dja n LEU 16 CO 0.43 -2.02 0.38 -0.13 -1.51 0.00 0.00 177.39 174.54 2dja s ARG 17 N -2.26 4.33 0.44 3.23 1.81 -1.26 -5.07 118.95 120.16 2dja s ARG 17 Ca 0.69 0.90 -0.02 0.00 -1.72 0.00 0.00 55.73 55.58 2dja s ARG 17 Cb -0.49 -3.13 -0.02 0.00 -0.45 0.00 0.00 34.95 30.86 2dja s ARG 17 CO 0.53 0.54 0.69 0.20 -0.68 0.00 0.00 175.30 176.58 2dja s GLY 18 N -1.30 1.49 -0.37 -3.53 0.00 -1.26 -5.04 107.32 97.31 2dja s GLY 18 Ca 0.35 -0.86 -0.29 0.00 0.00 0.00 0.00 44.72 43.93 2dja s GLY 18 CO 0.22 -0.71 1.09 -0.42 0.00 0.00 0.00 173.10 173.28 2dja s ILE 19 N -2.58 4.42 0.48 0.90 1.09 -1.26 -5.01 121.20 119.24 2dja s ILE 19 Ca 0.46 1.55 0.02 0.00 -1.10 0.00 0.00 60.65 61.58 2dja s ILE 19 Cb -0.10 -4.47 -0.01 0.00 -1.06 0.00 0.00 42.46 36.81 2dja s ILE 19 CO 0.40 -0.65 0.04 0.42 -0.10 0.00 0.00 174.94 175.05 2dja s THR 20 N 3.89 0.96 0.42 2.92 -4.23 -1.26 -4.48 115.64 113.87 2dja s THR 20 Ca 0.46 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.74 2dja s THR 20 Cb -0.11 -2.20 -0.09 0.00 1.34 0.00 0.00 72.50 71.45 2dja s THR 20 CO 0.21 0.00 1.05 0.00 -0.54 0.00 0.00 174.62 175.33 2dja h LEU 22 N 2.23 -0.04 -0.31 0.00 3.38 -1.94 -2.64 115.31 115.99 2dja h LEU 22 Ca -0.49 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.53 2dja h LEU 22 Cb 1.22 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 2dja h LEU 22 CO 0.61 -0.02 0.05 0.44 0.09 0.00 0.00 178.44 179.62 2dja h ASP 23 N -0.02 -0.01 -3.36 -0.43 3.32 -1.97 -3.35 116.42 110.60 2dja h ASP 23 Ca -0.00 0.05 -0.72 0.00 0.02 0.00 0.00 57.03 56.38 2dja h ASP 23 Cb 0.02 0.07 -0.30 0.00 0.22 0.00 0.00 39.33 39.34 2dja h ASP 23 CO -0.01 0.03 -0.40 -1.00 -1.72 0.00 0.00 179.24 176.14 2dja s HIS 24 N -6.17 3.46 -0.06 4.55 3.76 -1.16 -4.94 115.29 114.72 2dja s HIS 24 Ca -0.13 -1.98 0.00 0.00 -0.15 0.00 0.00 55.06 52.80 2dja s HIS 24 Cb 0.12 -3.46 0.06 0.00 1.11 0.00 0.00 32.58 30.40 2dja s HIS 24 CO 0.70 -0.99 1.61 -0.85 -0.85 0.00 0.00 174.74 174.36 2dja n GLU 25 N 4.80 1.15 0.00 1.40 0.28 -1.01 -1.67 120.64 125.59 2dja n GLU 25 Ca -0.06 -0.32 0.00 0.00 -0.16 0.00 0.00 57.16 56.62 2dja n GLU 25 Cb 0.41 -1.13 0.00 0.00 1.43 0.00 0.00 31.44 32.15 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 0.86 0.87 -4.62 -1.84 4.13 -1.26 -4.87 115.26 108.52 2dja n ASN 26 Ca 0.06 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.89 2dja n ASN 26 Cb 0.56 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.78 2dja n ASN 26 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2dja s GLU 27 N -1.45 3.95 -0.34 3.52 0.41 -1.23 -4.94 118.70 118.64 2dja s GLU 27 Ca 0.00 0.88 -0.28 0.00 -0.41 0.00 0.00 54.97 55.16 2dja s GLU 27 Cb 0.00 -3.79 -0.04 0.00 -1.78 0.00 0.00 34.13 28.52 2dja s GLU 27 CO 0.00 -1.02 2.09 0.15 -0.49 0.00 0.00 175.26 175.99 2dja s LYS 28 N 3.80 2.96 -0.41 1.61 -0.14 -1.26 -2.86 119.74 123.44 2dja s LYS 28 Ca 0.45 1.59 -0.45 0.00 -1.36 0.00 0.00 55.97 56.20 2dja s LYS 28 Cb -0.11 -4.36 -0.20 0.00 -1.68 0.00 0.00 37.83 31.49 2dja s LYS 28 CO 0.20 -2.30 1.55 1.33 -0.76 0.00 0.00 175.35 175.36 2dja n VAL 29 N 7.64 0.03 -0.88 3.17 0.24 -1.26 -4.79 118.33 122.48 2dja n VAL 29 Ca 0.28 -0.01 0.04 0.00 -2.04 0.00 0.00 64.34 62.62 2dja n VAL 29 Cb 0.48 -0.51 0.06 0.00 -1.47 0.00 0.00 33.84 32.40 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 3.81 1.64 -3.82 -1.34 6.94 -1.05 -4.93 115.26 116.51 2dja n ASN 30 Ca 0.29 -2.37 -0.14 0.00 -0.02 0.00 0.00 54.58 52.34 2dja n ASN 30 Cb -0.02 -0.22 -0.08 0.00 -2.36 0.00 0.00 39.78 37.10 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 -1.57 1.50 -0.17 -3.83 -1.94 -1.00 -3.97 119.30 108.32 2dja s MET 31 Ca 0.14 -1.68 -0.03 0.00 -1.71 0.00 0.00 55.69 52.41 2dja s MET 31 Cb 0.12 0.34 0.06 0.00 2.01 0.00 0.00 34.83 37.36 2dja s MET 31 CO 0.01 -0.56 0.05 -0.47 -0.01 0.00 0.00 175.02 174.05 2dja s TYR 32 N -3.79 0.70 -0.32 -0.03 5.04 -1.25 -2.62 117.35 115.09 2dja s TYR 32 Ca 0.35 -0.60 -0.29 0.00 -2.44 0.00 0.00 57.07 54.10 2dja s TYR 32 Cb 0.04 -0.89 0.00 0.00 0.35 0.00 0.00 41.96 41.46 2dja s TYR 32 CO 0.17 -0.55 1.33 0.00 -1.34 0.00 0.00 175.55 175.16 2dja h VAL 34 N 6.06 1.50 -0.96 0.00 2.07 -1.63 0.28 116.25 123.57 2dja h VAL 34 Ca -0.27 -2.39 0.23 0.00 0.82 0.00 0.00 66.70 65.09 2dja h VAL 34 Cb 1.10 3.03 -0.12 0.00 -1.52 0.00 0.00 31.29 33.78 2dja h VAL 34 CO 1.04 0.68 0.53 0.77 0.02 0.00 0.00 177.57 180.61 2dja h SER 35 N -0.32 0.58 -0.27 0.57 4.64 -1.91 0.16 113.55 117.00 2dja h SER 35 Ca -0.12 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2dja h SER 35 Cb 1.52 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 2dja h SER 35 CO 0.14 0.10 0.00 0.47 -0.87 0.00 0.00 176.83 176.67 2dja n ASP 36 N -4.92 3.71 -3.73 4.97 8.00 -1.25 -4.96 116.55 118.38 2dja n ASP 36 Ca 0.24 -2.85 -0.29 0.00 0.71 0.00 0.00 54.79 52.60 2dja n ASP 36 Cb 0.68 -0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 41.23 2dja n ASP 36 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2dja n ASP 37 N -0.35 -0.83 -4.10 -2.24 9.92 0.55 -4.87 116.55 114.63 2dja n ASP 37 Ca 0.20 -0.91 -0.13 0.00 -0.53 0.00 0.00 54.79 53.42 2dja n ASP 37 Cb 0.81 -1.15 -0.11 0.00 -0.64 0.00 0.00 41.12 40.03 2dja n ASP 37 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 2dja s GLN 38 N -5.67 0.64 0.36 -1.24 2.00 0.84 -4.98 119.66 111.61 2dja s GLN 38 Ca 0.46 -0.92 -0.23 0.00 -2.00 0.00 0.00 55.36 52.68 2dja s GLN 38 Cb -0.27 -0.35 -0.10 0.00 0.80 0.00 0.00 33.01 33.09 2dja s GLN 38 CO 0.74 0.05 0.91 -0.51 -0.50 0.00 0.00 175.29 175.98 2dja s LEU 39 N -1.93 4.16 0.00 3.68 1.43 -1.26 0.10 118.68 124.85 2dja s LEU 39 Ca -0.04 1.70 0.03 0.00 -1.03 0.00 0.00 54.13 54.79 2dja s LEU 39 Cb -0.07 -4.20 -0.01 0.00 0.03 0.00 0.00 46.19 41.95 2dja s LEU 39 CO -0.00 -0.19 0.37 2.30 0.23 0.00 0.00 176.35 179.05 2dja n ILE 40 N 0.01 0.00 -4.10 -0.59 -5.35 -1.08 -4.79 119.36 103.46 2dja n ILE 40 Ca 0.04 -2.02 -0.14 0.00 -0.27 0.00 0.00 62.75 60.36 2dja n ILE 40 Cb 0.52 1.11 -0.02 0.00 -1.74 0.00 0.00 39.64 39.51 2dja n ILE 40 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2dja h ALA 42 N 0.97 -0.59 -0.98 0.00 0.00 -1.91 -2.76 119.26 113.98 2dja h ALA 42 Ca -0.19 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 54.78 2dja h ALA 42 Cb 0.60 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 18.52 2dja h ALA 42 CO 0.30 -0.83 0.58 -0.07 0.00 0.00 0.00 179.25 179.24 2dja h LEU 43 N -0.61 0.73 -1.99 0.00 3.38 -1.97 0.42 115.31 115.26 2dja h LEU 43 Ca -0.06 0.10 0.18 0.00 0.09 0.00 0.00 57.88 58.19 2dja h LEU 43 Cb 0.47 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2dja h LEU 43 CO 0.10 0.24 0.50 0.00 0.09 0.00 0.00 178.44 179.37 2dja n LYS 45 N -4.13 0.64 0.05 0.00 4.76 0.11 -2.20 118.16 117.40 2dja n LYS 45 Ca 0.12 0.19 -0.12 0.00 -2.87 0.00 0.00 58.31 55.63 2dja n LYS 45 Cb 0.74 -1.53 -0.05 0.00 -1.84 0.00 0.00 35.03 32.35 2dja n LYS 45 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2dja h LEU 46 N -0.24 -1.05 0.00 -0.35 4.07 0.02 -3.39 115.31 114.38 2dja h LEU 46 Ca -0.59 0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.50 2dja h LEU 46 Cb 1.83 0.42 0.00 0.00 1.08 0.00 0.00 40.66 43.99 2dja h LEU 46 CO -0.15 -0.40 -0.48 1.33 -1.08 0.00 0.00 178.44 177.66 2dja n VAL 47 N -5.42 0.00 -0.91 1.22 0.24 -0.28 -4.99 118.33 108.18 2dja n VAL 47 Ca -0.05 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.94 2dja n VAL 47 Cb 0.34 -0.28 0.02 0.00 -1.47 0.00 0.00 33.84 32.45 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 2.31 -3.41 0.52 7.63 0.00 0.15 -4.68 105.19 107.73 2dja n GLY 48 Ca 0.00 -0.46 0.34 0.00 0.00 0.00 0.00 46.02 45.90 2dja n GLY 48 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2dja h ARG 49 N -0.50 0.00 -2.18 1.61 2.43 -1.89 -2.19 114.38 111.66 2dja h ARG 49 Ca -0.36 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.70 2dja h ARG 49 Cb 1.13 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 2dja h ARG 49 CO 0.25 0.00 -0.15 0.72 -1.51 0.00 0.00 179.97 179.29 2dja n HIS 50 N -4.19 0.00 -0.07 2.20 -0.00 -0.93 -4.24 115.22 107.98 2dja n HIS 50 Ca 0.25 -1.08 -0.13 0.00 -0.00 0.00 0.00 57.72 56.76 2dja n HIS 50 Cb 1.21 -1.15 -0.11 0.00 -0.00 0.00 0.00 29.99 29.94 2dja n HIS 50 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dja h ARG 51 N 3.28 0.00 0.07 -0.41 3.08 -1.45 -3.32 114.38 115.63 2dja h ARG 51 Ca 0.12 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.97 2dja h ARG 51 Cb 1.09 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.16 2dja h ARG 51 CO 0.23 0.84 -0.82 0.22 -1.07 0.00 0.00 179.97 179.38 2dja h ASP 52 N -1.00 0.60 -1.32 7.04 3.58 -1.89 -3.47 116.42 119.97 2dja h ASP 52 Ca -0.03 -0.83 -0.41 0.00 0.42 0.00 0.00 57.03 56.18 2dja h ASP 52 Cb 0.88 -0.19 0.12 0.00 1.72 0.00 0.00 39.33 41.86 2dja h ASP 52 CO -0.02 1.37 -0.76 1.41 -2.88 0.00 0.00 179.24 178.36 2dja n HIS 53 N -4.09 -1.86 -3.41 0.28 8.25 -1.26 -4.87 115.22 108.27 2dja n HIS 53 Ca -0.12 0.33 -0.38 0.00 -0.26 0.00 0.00 57.72 57.29 2dja n HIS 53 Cb 0.79 -1.16 -0.08 0.00 1.12 0.00 0.00 29.99 30.66 2dja n HIS 53 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2dja s GLN 54 N -0.68 4.09 0.06 -0.41 0.74 -1.26 -5.02 119.66 117.18 2dja s GLN 54 Ca 0.39 0.09 0.08 0.00 0.05 0.00 0.00 55.36 55.97 2dja s GLN 54 Cb -0.36 -3.60 -0.03 0.00 1.10 0.00 0.00 33.01 30.12 2dja s GLN 54 CO 0.44 -0.15 -0.19 0.14 -0.55 0.00 0.00 175.29 174.98 2dja s VAL 55 N 1.68 2.75 -0.25 1.34 -7.23 -1.26 -1.94 120.40 115.48 2dja s VAL 55 Ca 0.16 -1.30 -0.00 0.00 -1.81 0.00 0.00 61.98 59.03 2dja s VAL 55 Cb -0.15 -2.18 0.04 0.00 0.56 0.00 0.00 36.38 34.64 2dja s VAL 55 CO 0.09 0.27 -0.08 0.00 -0.31 0.00 0.00 175.10 175.06 2dja s ALA 56 N -0.98 2.63 0.60 1.32 0.00 -1.10 -4.93 121.76 119.31 2dja s ALA 56 Ca 0.15 -1.55 -0.15 0.00 0.00 0.00 0.00 51.96 50.41 2dja s ALA 56 Cb -0.10 -1.63 -0.13 0.00 0.00 0.00 0.00 23.12 21.26 2dja s ALA 56 CO 0.06 -0.92 -0.36 0.43 0.00 0.00 0.00 175.76 174.98 2dja n SER 57 N 4.59 -3.95 -0.09 0.00 7.64 -1.26 -3.83 113.62 116.72 2dja n SER 57 Ca -0.16 0.38 -0.15 0.00 1.01 0.00 0.00 58.87 59.95 2dja n SER 57 Cb 0.46 -0.68 -0.08 0.00 -1.01 0.00 0.00 64.21 62.90 2dja n SER 57 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2dja n LEU 58 N 2.47 2.54 -3.24 -3.43 4.77 -1.25 -4.89 117.00 113.96 2dja n LEU 58 Ca 0.03 -0.01 -0.35 0.00 -0.03 0.00 0.00 56.01 55.66 2dja n LEU 58 Cb 0.43 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 2dja n LEU 58 CO 0.45 0.70 -0.06 -0.46 -1.33 0.00 0.00 177.39 176.68 2dja n ASN 59 N -3.27 -1.14 -0.37 -1.43 6.94 -1.26 -4.75 115.26 109.99 2dja n ASN 59 Ca -0.34 0.79 -0.01 0.00 -0.02 0.00 0.00 54.58 55.00 2dja n ASN 59 Cb 0.82 -0.69 0.04 0.00 -2.36 0.00 0.00 39.78 37.59 2dja n ASN 59 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2dja n ASP 60 N 1.52 -0.64 -3.95 0.53 9.92 -1.26 -4.51 116.55 118.17 2dja n ASP 60 Ca 0.12 1.69 -0.12 0.00 -0.53 0.00 0.00 54.79 55.95 2dja n ASP 60 Cb 0.20 -0.38 -0.13 0.00 -0.64 0.00 0.00 41.12 40.17 2dja n ASP 60 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2dja s ARG 61 N -5.91 0.26 -1.23 -1.24 6.06 -1.26 -5.08 118.95 110.54 2dja s ARG 61 Ca -0.13 -0.31 -0.15 0.00 -2.50 0.00 0.00 55.73 52.63 2dja s ARG 61 Cb 0.20 -0.11 0.14 0.00 0.06 0.00 0.00 34.95 35.24 2dja s ARG 61 CO 0.69 0.02 1.52 0.12 -2.50 0.00 0.00 175.30 175.15 2dja s PHE 62 N -0.61 3.28 0.11 5.12 5.36 -1.26 -4.93 117.98 125.05 2dja s PHE 62 Ca -0.05 -1.98 -0.08 0.00 -0.96 0.00 0.00 56.93 53.86 2dja s PHE 62 Cb -0.05 -4.45 -0.00 0.00 -0.34 0.00 0.00 43.02 38.18 2dja s PHE 62 CO -0.00 -1.52 0.21 -2.00 -1.46 0.00 0.00 175.22 170.44 2dja s GLU 63 N 2.38 0.92 -1.31 10.12 2.12 -1.26 -4.92 118.70 126.76 2dja s GLU 63 Ca 0.46 -1.03 -0.06 0.00 0.36 0.00 0.00 54.97 54.70 2dja s GLU 63 Cb -0.01 0.35 0.01 0.00 0.26 0.00 0.00 34.13 34.74 2dja s GLU 63 CO 0.02 -0.30 1.09 1.63 -0.54 0.00 0.00 175.26 177.16 2dja n LYS 64 N -0.10 -7.28 -2.11 4.30 4.76 -1.26 -4.92 118.16 111.54 2dja n LYS 64 Ca -0.13 0.82 -0.42 0.00 -2.87 0.00 0.00 58.31 55.71 2dja n LYS 64 Cb 0.63 -5.84 -0.03 0.00 -1.84 0.00 0.00 35.03 27.95 2dja n LYS 64 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2dja s LEU 65 N -6.95 4.39 -0.29 -0.35 2.96 -1.26 -5.01 118.68 112.18 2dja s LEU 65 Ca 0.36 2.48 -0.06 0.00 -0.22 0.00 0.00 54.13 56.68 2dja s LEU 65 Cb -0.16 -3.60 0.15 0.00 0.50 0.00 0.00 46.19 43.07 2dja s LEU 65 CO 0.74 -0.65 0.60 -0.75 -1.32 0.00 0.00 176.35 174.97 2dja s LYS 66 N 0.32 0.54 0.47 1.98 2.47 -1.26 -5.17 119.74 119.09 2dja s LYS 66 Ca 0.61 1.22 -0.01 0.00 -1.56 0.00 0.00 55.97 56.24 2dja s LYS 66 Cb -0.39 0.65 -0.00 0.00 -1.46 0.00 0.00 37.83 36.63 2dja s LYS 66 CO 0.36 -0.37 0.71 1.14 0.16 0.00 0.00 175.35 177.36 2dja s GLN 67 N 2.84 3.09 0.01 4.03 1.03 -1.26 -5.09 119.66 124.31 2dja s GLN 67 Ca 0.04 -0.35 -0.05 0.00 0.04 0.00 0.00 55.36 55.04 2dja s GLN 67 Cb -0.13 -2.50 -0.05 0.00 0.03 0.00 0.00 33.01 30.36 2dja s GLN 67 CO -0.19 -0.32 0.24 -0.08 -2.54 0.00 0.00 175.29 172.40 2dja s THR 68 N -2.63 5.34 0.40 3.63 -1.32 -1.26 -5.04 115.64 114.75 2dja s THR 68 Ca 0.49 0.03 -0.14 0.00 -1.21 0.00 0.00 61.69 60.86 2dja s THR 68 Cb -0.10 -3.56 -0.12 0.00 -1.51 0.00 0.00 72.50 67.21 2dja s THR 68 CO 0.40 0.32 -0.11 0.00 -2.21 0.00 0.00 174.62 173.02 2dja n LEU 69 N 0.97 -2.87 -4.75 9.08 -0.00 -1.26 -4.78 117.00 113.39 2dja n LEU 69 Ca -0.10 0.50 -0.41 0.00 -0.00 0.00 0.00 56.01 55.99 2dja n LEU 69 Cb 0.53 -0.66 -0.02 0.00 -0.00 0.00 0.00 43.42 43.27 2dja n LEU 69 CO 0.43 -3.72 1.11 -1.83 -0.00 0.00 0.00 177.39 173.38 2dja s GLU 70 N -0.79 4.25 0.26 1.47 4.04 -1.26 -5.01 118.70 121.66 2dja s GLU 70 Ca 0.44 2.34 -0.02 0.00 0.04 0.00 0.00 54.97 57.77 2dja s GLU 70 Cb -0.38 -3.09 -0.04 0.00 0.02 0.00 0.00 34.13 30.64 2dja s GLU 70 CO 0.51 -0.43 0.48 1.41 -1.84 0.00 0.00 175.26 175.40 2dja s MET 71 N -0.63 3.56 -0.19 -4.83 -2.45 -1.26 -5.00 119.30 108.50 2dja s MET 71 Ca 0.58 -0.19 -0.34 0.00 -1.25 0.00 0.00 55.69 54.49 2dja s MET 71 Cb -0.43 -2.73 -0.11 0.00 1.25 0.00 0.00 34.83 32.82 2dja s MET 71 CO 0.46 0.29 2.03 0.09 1.05 0.00 0.00 175.02 178.93 2dja n ASN 72 N -0.94 3.02 -3.89 1.11 4.13 -1.26 -4.93 115.26 112.50 2dja n ASN 72 Ca -0.03 0.68 -0.30 0.00 1.68 0.00 0.00 54.58 56.60 2dja n ASN 72 Cb 0.54 -1.37 -0.15 0.00 -1.54 0.00 0.00 39.78 37.27 2dja n ASN 72 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2dja s LEU 73 N 5.76 3.72 -0.44 3.41 1.43 -1.26 -5.06 118.68 126.23 2dja s LEU 73 Ca 0.99 -2.20 -0.03 0.00 -1.03 0.00 0.00 54.13 51.86 2dja s LEU 73 Cb -0.69 -1.34 0.12 0.00 0.03 0.00 0.00 46.19 44.31 2dja s LEU 73 CO 0.48 -0.35 0.24 0.42 0.23 0.00 0.00 176.35 177.37 2dja s THR 74 N 0.85 3.31 0.17 5.49 -4.23 -1.26 -5.06 115.64 114.90 2dja s THR 74 Ca 0.12 -2.24 -0.08 0.00 -1.18 0.00 0.00 61.69 58.32 2dja s THR 74 Cb -0.20 -3.26 -0.01 0.00 1.34 0.00 0.00 72.50 70.37 2dja s THR 74 CO -0.10 -0.72 0.26 0.54 -0.54 0.00 0.00 174.62 174.05 2dja s ASN 75 N 1.57 0.07 -0.31 3.99 4.22 -1.26 -5.10 114.94 118.13 2dja s ASN 75 Ca 0.10 -0.94 -0.31 0.00 -2.14 0.00 0.00 52.86 49.57 2dja s ASN 75 Cb -0.22 0.42 -0.08 0.00 1.28 0.00 0.00 41.25 42.65 2dja s ASN 75 CO -0.04 -0.88 2.24 0.18 -2.04 0.00 0.00 177.10 176.55 2dja n LEU 76 N -0.21 2.62 -4.63 3.54 4.77 -1.26 -4.94 117.00 116.89 2dja n LEU 76 Ca -0.06 0.23 -0.35 0.00 -0.03 0.00 0.00 56.01 55.80 2dja n LEU 76 Cb 0.63 -1.42 -0.10 0.00 -2.33 0.00 0.00 43.42 40.21 2dja n LEU 76 CO 0.25 -0.78 -0.27 0.68 -1.33 0.00 0.00 177.39 175.93 2dja s VAL 77 N 8.23 4.58 -0.62 4.08 -7.23 -1.26 -5.07 120.40 123.12 2dja s VAL 77 Ca 1.05 -0.12 -0.10 0.00 -1.81 0.00 0.00 61.98 61.01 2dja s VAL 77 Cb -0.57 -3.03 0.16 0.00 0.56 0.00 0.00 36.38 33.50 2dja s VAL 77 CO 0.41 0.50 0.50 -0.75 -0.31 0.00 0.00 175.10 175.45 2dja s LYS 78 N 0.06 2.87 0.29 4.82 2.47 -1.26 -5.02 119.74 123.97 2dja s LYS 78 Ca 0.04 -2.15 -0.19 0.00 -1.56 0.00 0.00 55.97 52.11 2dja s LYS 78 Cb -0.12 -4.05 0.06 0.00 -1.46 0.00 0.00 37.83 32.25 2dja s LYS 78 CO 0.01 -1.23 0.87 -1.12 0.16 0.00 0.00 175.35 174.04 2dja s SER 79 N 2.12 -0.06 -0.02 1.43 0.01 -1.26 -5.19 113.70 110.73 2dja s SER 79 Ca 0.12 -0.85 -0.13 0.00 1.31 0.00 0.00 55.95 56.40 2dja s SER 79 Cb -0.20 0.70 0.02 0.00 0.21 0.00 0.00 66.02 66.74 2dja s SER 79 CO -0.03 -1.36 0.27 -0.83 0.41 0.00 0.00 173.24 171.70 2dja s GLY 80 N -3.12 -0.11 1.21 3.44 0.00 -1.26 -5.17 107.32 102.31 2dja s GLY 80 Ca 0.16 0.25 -0.19 0.00 0.00 0.00 0.00 44.72 44.93 2dja s GLY 80 CO 0.08 0.06 1.11 2.56 0.00 0.00 0.00 173.10 176.91 2dja s PRO 81 N -1.26 -1.29 0.15 2.90 0.04 -1.26 -5.10 135.00 129.18 2dja s PRO 81 Ca -0.13 -0.09 -0.24 0.00 0.04 0.00 0.00 61.00 60.58 2dja s PRO 81 Cb -0.06 -1.59 0.06 0.00 0.04 0.00 0.00 34.50 32.96 2dja s PRO 81 CO 0.03 -3.75 0.79 0.45 0.04 0.00 0.00 177.00 174.56 2dja s SER 82 N -3.91 -0.35 0.18 6.66 0.15 -1.26 -5.19 113.70 109.99 2dja s SER 82 Ca 0.71 -0.24 -0.18 0.00 0.70 0.00 0.00 55.95 56.94 2dja s SER 82 Cb -0.09 0.55 0.04 0.00 -1.71 0.00 0.00 66.02 64.80 2dja s SER 82 CO 0.56 -0.96 0.53 -0.55 1.20 0.00 0.00 173.24 174.02 2dja s SER 83 N -2.77 -0.31 0.00 5.45 0.15 -1.26 -5.38 113.70 109.57 2dja s SER 83 Ca 0.07 -0.38 0.29 0.00 0.70 0.00 0.00 55.95 56.64 2dja s SER 83 Cb -0.02 0.57 1.76 0.00 -1.71 0.00 0.00 66.02 66.62 2dja s SER 83 CO -0.04 -1.02 2.09 0.61 1.20 0.00 0.00 173.24 176.08