#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 -0.52 -0.39 1.61 0.15 -1.26 -5.13 113.70 108.16 2dja s SER 2 Ca 0.00 0.62 -0.22 0.00 0.70 0.00 0.00 55.95 57.05 2dja s SER 2 Cb 0.00 0.59 0.01 0.00 -1.71 0.00 0.00 66.02 64.91 2dja s SER 2 CO 0.00 -0.50 0.70 -0.94 1.20 0.00 0.00 173.24 173.70 2dja s SER 3 N -0.98 6.43 0.00 5.45 1.04 -1.26 -4.96 113.70 119.43 2dja s SER 3 Ca -0.10 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2dja s SER 3 Cb -0.02 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.75 2dja s SER 3 CO 0.07 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.18 2dja n GLY 4 N 4.76 1.12 3.07 7.32 0.00 -1.26 -5.16 105.19 115.04 2dja n GLY 4 Ca 0.00 0.54 -0.29 0.00 0.00 0.00 0.00 46.02 46.27 2dja n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dja n SER 5 N 0.00 -2.68 -4.91 1.61 3.41 -1.26 -4.99 113.62 104.79 2dja n SER 5 Ca 0.00 -0.12 -0.21 0.00 -0.26 0.00 0.00 58.87 58.28 2dja n SER 5 Cb 0.00 -0.71 0.06 0.00 -0.26 0.00 0.00 64.21 63.30 2dja n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dja s SER 6 N -1.48 5.01 0.39 4.04 0.15 -1.26 -5.13 113.70 115.42 2dja s SER 6 Ca 0.40 -0.45 0.08 0.00 0.70 0.00 0.00 55.95 56.67 2dja s SER 6 Cb -0.01 -0.21 -0.07 0.00 -1.71 0.00 0.00 66.02 64.02 2dja s SER 6 CO 0.54 -1.36 0.02 -0.83 1.20 0.00 0.00 173.24 172.81 2dja s GLY 7 N -4.58 2.38 -0.01 9.45 0.00 -1.26 -5.15 107.32 108.15 2dja s GLY 7 Ca 0.61 -2.20 0.03 0.00 0.00 0.00 0.00 44.72 43.16 2dja s GLY 7 CO 0.39 -2.04 -0.09 -1.34 0.00 0.00 0.00 173.10 170.03 2dja s VAL 8 N -2.65 0.69 0.31 1.40 -7.23 -1.26 -5.15 120.40 106.51 2dja s VAL 8 Ca 0.35 -0.37 -0.09 0.00 -1.81 0.00 0.00 61.98 60.06 2dja s VAL 8 Cb 0.07 -0.58 -0.06 0.00 0.56 0.00 0.00 36.38 36.36 2dja s VAL 8 CO 0.19 0.20 0.63 -1.61 -0.31 0.00 0.00 175.10 174.20 2dja s GLU 9 N -0.20 3.76 0.39 4.82 8.01 -1.26 -5.06 118.70 129.16 2dja s GLU 9 Ca 0.03 0.28 -0.26 0.00 0.01 0.00 0.00 54.97 55.04 2dja s GLU 9 Cb -0.03 -2.55 -0.09 0.00 -4.31 0.00 0.00 34.13 27.15 2dja s GLU 9 CO -0.00 0.16 1.19 -1.25 0.01 0.00 0.00 175.26 175.37 2dja s PRO 10 N -3.39 4.08 -0.11 0.39 0.04 -1.26 -5.04 135.00 129.72 2dja s PRO 10 Ca 0.48 1.90 -0.05 0.00 0.04 0.00 0.00 61.00 63.38 2dja s PRO 10 Cb -0.11 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 2dja s PRO 10 CO 0.27 -0.31 0.06 0.54 0.04 0.00 0.00 177.00 177.60 2dja s VAL 11 N -1.37 4.85 0.31 -0.36 0.11 -1.26 -5.09 120.40 117.60 2dja s VAL 11 Ca 0.56 -0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 59.28 2dja s VAL 11 Cb -0.32 -3.09 -0.10 0.00 -1.53 0.00 0.00 36.38 31.34 2dja s VAL 11 CO 0.41 0.59 1.23 -2.16 -3.33 0.00 0.00 175.10 171.84 2dja s PRO 12 N -0.78 4.46 -0.05 1.54 0.04 -1.26 -5.04 135.00 133.90 2dja s PRO 12 Ca 0.13 2.06 -0.01 0.00 0.04 0.00 0.00 61.00 63.22 2dja s PRO 12 Cb -0.12 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.34 2dja s PRO 12 CO 0.03 -0.04 0.00 -0.51 0.04 0.00 0.00 177.00 176.52 2dja s ASP 13 N -0.64 1.20 -1.32 6.66 1.11 -1.26 -4.85 116.67 117.57 2dja s ASP 13 Ca 0.47 -0.06 -0.16 0.00 0.18 0.00 0.00 52.55 52.98 2dja s ASP 13 Cb -0.37 -0.36 0.16 0.00 1.07 0.00 0.00 42.92 43.43 2dja s ASP 13 CO 0.48 -0.16 0.41 1.07 1.18 0.00 0.00 175.17 178.15 2dja n THR 14 N 4.81 -0.02 -2.05 -1.27 5.66 -1.26 -4.72 114.28 115.43 2dja n THR 14 Ca -0.13 -0.01 -0.37 0.00 -3.05 0.00 0.00 64.05 60.49 2dja n THR 14 Cb 0.50 -0.36 -0.03 0.00 -1.55 0.00 0.00 70.33 68.89 2dja n THR 14 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 2dja s HIS 15 N -2.61 1.68 0.47 1.09 -3.43 -1.26 -4.95 115.29 106.28 2dja s HIS 15 Ca 0.57 0.76 -0.23 0.00 -0.80 0.00 0.00 55.06 55.36 2dja s HIS 15 Cb -0.34 -4.09 -0.08 0.00 -1.43 0.00 0.00 32.58 26.64 2dja s HIS 15 CO 0.72 -2.26 1.19 1.47 -2.00 0.00 0.00 174.74 173.86 2dja n LEU 16 N 12.82 3.96 -4.71 5.38 -0.00 -1.26 -4.99 117.00 128.20 2dja n LEU 16 Ca 0.22 1.02 -0.35 0.00 -0.00 0.00 0.00 56.01 56.90 2dja n LEU 16 Cb 0.52 -1.47 -0.09 0.00 -0.00 0.00 0.00 43.42 42.38 2dja n LEU 16 CO 0.70 -0.99 -0.25 -0.13 -0.00 0.00 0.00 177.39 176.72 2dja s ARG 17 N -2.37 3.48 -0.59 1.47 3.00 -1.26 -5.03 118.95 117.65 2dja s ARG 17 Ca 0.66 -0.32 0.03 0.00 0.00 0.00 0.00 55.73 56.10 2dja s ARG 17 Cb -0.49 -3.05 0.38 0.00 0.00 0.00 0.00 34.95 31.79 2dja s ARG 17 CO 0.55 0.55 1.26 0.41 0.00 0.00 0.00 175.30 178.06 2dja n GLY 18 N 2.65 5.84 0.77 -3.53 0.00 -1.26 -4.68 105.19 104.99 2dja n GLY 18 Ca -0.18 -2.72 -0.00 0.00 0.00 0.00 0.00 46.02 43.12 2dja n GLY 18 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dja n ILE 19 N -0.39 0.02 -2.84 -0.61 5.41 -1.26 -5.09 119.36 114.61 2dja n ILE 19 Ca 0.40 -0.01 -0.21 0.00 1.00 0.00 0.00 62.75 63.93 2dja n ILE 19 Cb 0.49 -1.29 0.09 0.00 -0.71 0.00 0.00 39.64 38.22 2dja n ILE 19 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2dja n THR 20 N -2.91 0.00 -2.94 1.39 -2.24 -1.26 -4.31 114.28 102.02 2dja n THR 20 Ca -0.01 -1.76 -0.36 0.00 -2.27 0.00 0.00 64.05 59.66 2dja n THR 20 Cb 0.51 -0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 67.98 2dja n THR 20 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dja h LEU 22 N 3.04 -0.78 -0.48 0.00 3.38 -1.90 -2.87 115.31 115.69 2dja h LEU 22 Ca -0.48 0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.60 2dja h LEU 22 Cb 1.19 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 42.17 2dja h LEU 22 CO 0.65 -0.33 0.25 0.44 0.09 0.00 0.00 178.44 179.54 2dja h ASP 23 N -0.48 0.37 -3.72 -0.43 5.19 -1.97 -3.38 116.42 112.01 2dja h ASP 23 Ca -0.02 0.02 -0.69 0.00 -0.62 0.00 0.00 57.03 55.72 2dja h ASP 23 Cb 0.44 -0.05 -0.31 0.00 0.18 0.00 0.00 39.33 39.58 2dja h ASP 23 CO -0.08 0.26 -0.68 -1.00 -3.12 0.00 0.00 179.24 174.63 2dja s HIS 24 N -6.14 3.24 -0.14 4.55 3.76 -1.10 -4.97 115.29 114.49 2dja s HIS 24 Ca -0.13 -1.69 0.01 0.00 -0.15 0.00 0.00 55.06 53.10 2dja s HIS 24 Cb 0.13 -2.15 0.18 0.00 1.11 0.00 0.00 32.58 31.85 2dja s HIS 24 CO 0.73 -0.77 1.24 -0.85 -0.85 0.00 0.00 174.74 174.24 2dja n GLU 25 N 4.69 1.37 0.00 1.40 0.00 -1.12 -1.32 120.64 125.65 2dja n GLU 25 Ca -0.13 -0.82 0.00 0.00 0.00 0.00 0.00 57.16 56.20 2dja n GLU 25 Cb 0.44 -1.33 0.00 0.00 0.00 0.00 0.00 31.44 30.55 2dja n GLU 25 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2dja n ASN 26 N 0.05 2.26 -4.71 -1.84 3.02 -1.26 -4.87 115.26 107.91 2dja n ASN 26 Ca 0.16 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.33 2dja n ASN 26 Cb 0.81 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.92 2dja n ASN 26 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2dja s GLU 27 N -1.61 4.29 0.06 3.52 0.41 -1.24 -4.93 118.70 119.20 2dja s GLU 27 Ca 0.00 0.35 -0.30 0.00 -0.41 0.00 0.00 54.97 54.61 2dja s GLU 27 Cb 0.00 -3.46 -0.05 0.00 -1.78 0.00 0.00 34.13 28.84 2dja s GLU 27 CO 0.00 0.11 1.02 0.15 -0.49 0.00 0.00 175.26 176.05 2dja s LYS 28 N 0.81 4.59 -0.11 1.61 1.02 -1.26 -1.37 119.74 125.03 2dja s LYS 28 Ca 0.23 1.51 -0.34 0.00 0.02 0.00 0.00 55.97 57.39 2dja s LYS 28 Cb -0.15 -3.40 -0.12 0.00 -0.52 0.00 0.00 37.83 33.65 2dja s LYS 28 CO 0.09 0.02 1.89 1.33 -0.92 0.00 0.00 175.35 177.76 2dja n VAL 29 N 3.38 0.56 -2.15 3.17 0.24 -1.26 -4.63 118.33 117.64 2dja n VAL 29 Ca 0.05 -0.11 0.03 0.00 -2.04 0.00 0.00 64.34 62.27 2dja n VAL 29 Cb 0.49 -1.85 0.09 0.00 -1.47 0.00 0.00 33.84 31.11 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 6.75 1.53 -3.64 -1.34 6.94 -1.07 -4.94 115.26 119.49 2dja n ASN 30 Ca 0.23 -2.83 -0.10 0.00 -0.02 0.00 0.00 54.58 51.86 2dja n ASN 30 Cb 0.29 -0.40 -0.03 0.00 -2.36 0.00 0.00 39.78 37.28 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 -1.72 1.43 -0.30 -3.83 -1.94 -1.03 -4.28 119.30 107.64 2dja s MET 31 Ca 0.36 -0.74 -0.00 0.00 -1.71 0.00 0.00 55.69 53.60 2dja s MET 31 Cb 0.38 0.57 0.09 0.00 2.01 0.00 0.00 34.83 37.88 2dja s MET 31 CO -0.11 -0.62 0.07 -0.47 -0.01 0.00 0.00 175.02 173.88 2dja s TYR 32 N -3.84 1.98 -0.76 -0.03 5.04 -0.99 -2.70 117.35 116.06 2dja s TYR 32 Ca 0.06 -1.83 -0.25 0.00 -2.44 0.00 0.00 57.07 52.61 2dja s TYR 32 Cb -0.02 -1.80 -0.05 0.00 0.35 0.00 0.00 41.96 40.44 2dja s TYR 32 CO -0.05 -0.86 2.01 0.00 -1.34 0.00 0.00 175.55 175.32 2dja h VAL 34 N 7.22 1.03 -0.77 0.00 2.07 0.59 1.05 116.25 127.44 2dja h VAL 34 Ca -0.06 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.27 2dja h VAL 34 Cb 1.08 0.19 -0.10 0.00 -1.52 0.00 0.00 31.29 30.94 2dja h VAL 34 CO 1.18 0.14 -0.54 -1.28 0.02 0.00 0.00 177.57 177.10 2dja h SER 35 N 0.77 -1.93 -0.60 0.57 0.87 -1.86 0.23 113.55 111.59 2dja h SER 35 Ca 0.29 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 2dja h SER 35 Cb 0.12 0.84 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2dja h SER 35 CO -0.15 -0.26 0.00 0.47 -0.53 0.00 0.00 176.83 176.36 2dja n ASP 36 N -5.11 4.48 -4.23 6.23 8.00 -1.13 -4.96 116.55 119.83 2dja n ASP 36 Ca 0.00 -2.41 -0.37 0.00 0.71 0.00 0.00 54.79 52.72 2dja n ASP 36 Cb 0.26 -0.54 -0.05 0.00 -0.02 0.00 0.00 41.12 40.77 2dja n ASP 36 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2dja n ASP 37 N 1.01 -0.95 -4.14 -2.24 5.75 0.35 -4.94 116.55 111.39 2dja n ASP 37 Ca 0.24 -1.29 -0.15 0.00 -0.01 0.00 0.00 54.79 53.58 2dja n ASP 37 Cb 0.83 -1.58 -0.11 0.00 -1.03 0.00 0.00 41.12 39.22 2dja n ASP 37 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 2dja s GLN 38 N -7.43 0.74 -0.15 0.11 2.00 -0.41 -4.96 119.66 109.56 2dja s GLN 38 Ca 0.19 -0.97 -0.27 0.00 -2.00 0.00 0.00 55.36 52.30 2dja s GLN 38 Cb -0.11 -0.56 -0.01 0.00 0.80 0.00 0.00 33.01 33.14 2dja s GLN 38 CO 0.99 0.11 0.93 -0.51 -0.50 0.00 0.00 175.29 176.30 2dja s LEU 39 N -1.95 4.19 0.34 3.68 1.43 -1.26 -0.48 118.68 124.64 2dja s LEU 39 Ca -0.02 1.35 0.03 0.00 -1.03 0.00 0.00 54.13 54.46 2dja s LEU 39 Cb -0.07 -3.41 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 2dja s LEU 39 CO 0.01 -0.45 0.09 0.27 0.23 0.00 0.00 176.35 176.49 2dja s ILE 40 N 2.23 0.87 0.31 -0.59 -4.36 -1.10 -4.87 121.20 113.70 2dja s ILE 40 Ca 0.43 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.84 2dja s ILE 40 Cb -0.17 -2.61 0.02 0.00 1.25 0.00 0.00 42.46 40.95 2dja s ILE 40 CO 0.14 0.00 0.19 0.00 0.24 0.00 0.00 174.94 175.51 2dja h ALA 42 N 0.78 -0.60 -0.46 0.00 0.00 -1.92 -2.90 119.26 114.16 2dja h ALA 42 Ca -0.20 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.67 2dja h ALA 42 Cb 0.72 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 2dja h ALA 42 CO 0.32 -0.86 0.06 -0.07 0.00 0.00 0.00 179.25 178.70 2dja h LEU 43 N -0.61 -0.07 -1.70 0.00 3.38 -1.97 0.23 115.31 114.56 2dja h LEU 43 Ca -0.04 0.09 0.43 0.00 0.09 0.00 0.00 57.88 58.46 2dja h LEU 43 Cb 0.51 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.31 2dja h LEU 43 CO 0.02 -0.00 0.99 0.00 0.09 0.00 0.00 178.44 179.53 2dja n LYS 45 N -4.36 0.54 -0.39 0.00 0.00 -0.14 -1.92 118.16 111.89 2dja n LYS 45 Ca 0.35 0.41 -0.09 0.00 0.00 0.00 0.00 58.31 58.97 2dja n LYS 45 Cb 1.48 -1.60 -0.08 0.00 0.00 0.00 0.00 35.03 34.84 2dja n LYS 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2dja n LEU 46 N -4.44 -0.95 0.00 3.14 4.32 0.62 -3.88 117.00 115.81 2dja n LEU 46 Ca -0.28 1.66 0.00 0.00 -0.02 0.00 0.00 56.01 57.37 2dja n LEU 46 Cb 0.60 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 42.16 2dja n LEU 46 CO 0.13 -1.37 -0.35 1.33 -1.22 0.00 0.00 177.39 175.91 2dja n VAL 47 N -5.19 0.00 -0.98 4.08 0.24 -0.44 -4.90 118.33 111.14 2dja n VAL 47 Ca 0.03 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.97 2dja n VAL 47 Cb 0.26 -0.66 0.05 0.00 -1.47 0.00 0.00 33.84 32.01 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 2.35 -4.28 0.44 7.63 0.00 0.90 -4.61 105.19 107.61 2dja n GLY 48 Ca 0.00 -0.78 0.20 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.05 0.00 -1.98 1.61 2.43 -1.89 -1.27 114.38 112.24 2dja h ARG 49 Ca -0.44 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.58 2dja h ARG 49 Cb 1.30 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.79 2dja h ARG 49 CO 0.25 0.00 -0.16 0.72 -1.51 0.00 0.00 179.97 179.27 2dja n HIS 50 N -3.20 0.18 0.18 2.20 -0.00 -0.81 -4.57 115.22 109.19 2dja n HIS 50 Ca 0.12 -1.38 -0.07 0.00 -0.00 0.00 0.00 57.72 56.40 2dja n HIS 50 Cb 1.07 -1.17 -0.03 0.00 -0.00 0.00 0.00 29.99 29.86 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 2.23 -0.44 -1.29 -0.41 2.47 -1.34 -3.27 114.38 112.33 2dja h ARG 51 Ca 0.14 0.03 -0.68 0.00 -1.26 0.00 0.00 59.98 58.21 2dja h ARG 51 Cb 1.26 0.10 -0.32 0.00 -1.65 0.00 0.00 29.97 29.36 2dja h ARG 51 CO 0.22 -0.29 0.54 -3.47 0.56 0.00 0.00 179.97 177.52 2dja n ASP 52 N -3.22 6.99 -4.94 7.04 -0.08 -1.26 -4.88 116.55 116.20 2dja n ASP 52 Ca -0.06 -3.79 -0.24 0.00 -1.51 0.00 0.00 54.79 49.19 2dja n ASP 52 Cb 0.18 -0.86 -0.00 0.00 2.34 0.00 0.00 41.12 42.77 2dja n ASP 52 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2dja s HIS 53 N -3.84 3.44 -0.94 -0.67 3.76 -1.23 -5.02 115.29 110.78 2dja s HIS 53 Ca 0.58 0.43 -0.20 0.00 -0.15 0.00 0.00 55.06 55.71 2dja s HIS 53 Cb 0.47 -2.11 0.10 0.00 1.11 0.00 0.00 32.58 32.15 2dja s HIS 53 CO -0.13 -0.11 1.22 -1.14 -0.85 0.00 0.00 174.74 173.72 2dja s GLN 54 N -4.49 3.57 0.01 1.40 0.74 -1.26 -5.00 119.66 114.63 2dja s GLN 54 Ca 0.44 -1.50 -0.02 0.00 0.05 0.00 0.00 55.36 54.33 2dja s GLN 54 Cb -0.10 -5.01 -0.04 0.00 1.10 0.00 0.00 33.01 28.97 2dja s GLN 54 CO 0.39 -1.91 0.20 0.14 -0.55 0.00 0.00 175.29 173.55 2dja s VAL 55 N 3.49 5.41 -0.24 1.34 -7.23 -1.26 0.12 120.40 122.02 2dja s VAL 55 Ca 0.36 -0.18 -0.04 0.00 -1.81 0.00 0.00 61.98 60.31 2dja s VAL 55 Cb -0.04 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.34 2dja s VAL 55 CO -0.08 0.28 -0.02 0.00 -0.31 0.00 0.00 175.10 174.97 2dja s ALA 56 N -1.37 2.85 0.48 1.32 0.00 -0.29 -4.89 121.76 119.87 2dja s ALA 56 Ca 0.29 -1.29 -0.21 0.00 0.00 0.00 0.00 51.96 50.75 2dja s ALA 56 Cb -0.13 -1.80 -0.08 0.00 0.00 0.00 0.00 23.12 21.12 2dja s ALA 56 CO 0.21 -0.62 1.10 -1.12 0.00 0.00 0.00 175.76 175.33 2dja s SER 57 N 1.45 6.19 -0.13 0.00 0.01 -1.26 -2.35 113.70 117.61 2dja s SER 57 Ca 0.04 2.10 -0.04 0.00 1.31 0.00 0.00 55.95 59.37 2dja s SER 57 Cb -0.15 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.55 2dja s SER 57 CO -0.02 -0.89 0.07 -1.48 0.41 0.00 0.00 173.24 171.33 2dja s LEU 58 N -3.33 0.41 -0.54 2.44 2.34 -1.26 -4.99 118.68 113.76 2dja s LEU 58 Ca 0.66 -0.43 0.04 0.00 0.06 0.00 0.00 54.13 54.47 2dja s LEU 58 Cb -0.22 -0.27 0.13 0.00 -0.56 0.00 0.00 46.19 45.27 2dja s LEU 58 CO 0.26 -0.31 0.28 0.21 -1.06 0.00 0.00 176.35 175.74 2dja s ASN 59 N 2.10 4.36 0.27 1.48 3.84 -1.26 -4.97 114.94 120.76 2dja s ASN 59 Ca 0.03 -3.10 -0.09 0.00 0.21 0.00 0.00 52.86 49.91 2dja s ASN 59 Cb -0.15 -1.64 0.43 0.00 -0.55 0.00 0.00 41.25 39.35 2dja s ASN 59 CO -0.07 -0.22 1.57 -0.78 -2.79 0.00 0.00 177.10 174.81 2dja h ASP 60 N 6.38 -0.92 -5.16 -4.21 1.82 -2.03 -3.41 116.42 108.89 2dja h ASP 60 Ca -0.06 0.29 -0.12 0.00 -0.39 0.00 0.00 57.03 56.75 2dja h ASP 60 Cb 0.88 0.61 -0.16 0.00 0.68 0.00 0.00 39.33 41.33 2dja h ASP 60 CO 0.69 -0.32 -0.61 -0.60 -1.61 0.00 0.00 179.24 176.80 2dja s ARG 61 N -6.25 0.59 -0.02 0.28 6.06 -1.26 -5.09 118.95 113.27 2dja s ARG 61 Ca -0.15 -1.00 -0.13 0.00 -2.50 0.00 0.00 55.73 51.95 2dja s ARG 61 Cb 0.26 0.22 -0.07 0.00 0.06 0.00 0.00 34.95 35.42 2dja s ARG 61 CO 0.77 -0.13 0.66 0.74 -2.50 0.00 0.00 175.30 174.85 2dja h PHE 62 N 3.42 -0.44 -6.96 5.12 0.04 -2.04 -3.46 116.94 112.61 2dja h PHE 62 Ca -0.33 -0.01 -0.59 0.00 2.80 0.00 0.00 57.97 59.84 2dja h PHE 62 Cb 1.17 0.15 -0.27 0.00 2.20 0.00 0.00 35.95 39.19 2dja h PHE 62 CO 0.54 -0.27 -0.89 -1.91 -0.60 0.00 0.00 178.31 175.18 2dja n GLU 63 N -4.39 -1.89 -0.02 1.51 2.13 -1.26 -4.79 120.64 111.93 2dja n GLU 63 Ca -0.06 0.24 -0.06 0.00 0.66 0.00 0.00 57.16 57.94 2dja n GLU 63 Cb 0.19 -4.70 -0.02 0.00 0.27 0.00 0.00 31.44 27.18 2dja n GLU 63 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2dja n LYS 64 N -4.28 0.14 -0.14 5.31 4.81 -1.26 -5.06 118.16 117.67 2dja n LYS 64 Ca 0.01 0.06 -0.13 0.00 -0.87 0.00 0.00 58.31 57.37 2dja n LYS 64 Cb 0.52 -0.73 0.13 0.00 0.02 0.00 0.00 35.03 34.96 2dja n LYS 64 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2dja n LEU 65 N -3.39 0.00 -3.63 3.14 4.32 -1.26 -5.08 117.00 111.09 2dja n LEU 65 Ca -0.11 -0.40 -0.05 0.00 -0.02 0.00 0.00 56.01 55.43 2dja n LEU 65 Cb 0.49 -0.44 -0.06 0.00 -1.62 0.00 0.00 43.42 41.80 2dja n LEU 65 CO 0.02 -2.02 1.02 -0.75 -1.22 0.00 0.00 177.39 174.44 2dja s LYS 66 N -3.93 0.23 1.21 3.23 2.47 -1.26 -5.17 119.74 116.51 2dja s LYS 66 Ca 0.30 0.14 -0.18 0.00 -1.56 0.00 0.00 55.97 54.67 2dja s LYS 66 Cb -0.05 0.11 0.25 0.00 -1.46 0.00 0.00 37.83 36.68 2dja s LYS 66 CO 0.24 -0.05 0.54 0.00 0.16 0.00 0.00 175.35 176.24 2dja n GLN 67 N 1.13 -3.14 -0.08 4.03 10.64 -1.26 -5.01 117.38 123.69 2dja n GLN 67 Ca -0.07 -0.93 -0.08 0.00 -1.83 0.00 0.00 57.00 54.09 2dja n GLN 67 Cb 0.58 -1.72 -0.03 0.00 -0.86 0.00 0.00 30.24 28.21 2dja n GLN 67 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 2dja n THR 68 N -4.98 1.37 -0.43 -0.39 -2.24 -1.26 -4.42 114.28 101.94 2dja n THR 68 Ca 0.07 0.17 0.37 0.00 -2.27 0.00 0.00 64.05 62.40 2dja n THR 68 Cb 0.49 -2.27 0.57 0.00 -2.10 0.00 0.00 70.33 67.01 2dja n THR 68 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2dja n LEU 69 N -4.29 0.00 -4.13 3.22 7.99 -1.26 -4.70 117.00 113.83 2dja n LEU 69 Ca -0.13 0.79 -0.33 0.00 -0.01 0.00 0.00 56.01 56.33 2dja n LEU 69 Cb 0.47 -0.34 -0.02 0.00 -0.11 0.00 0.00 43.42 43.42 2dja n LEU 69 CO 0.19 -0.79 -0.10 -0.62 -1.51 0.00 0.00 177.39 174.57 2dja n GLU 70 N -3.38 -3.26 -0.01 3.23 -0.58 -1.26 -4.89 120.64 110.49 2dja n GLU 70 Ca 0.31 0.38 -0.01 0.00 -0.42 0.00 0.00 57.16 57.42 2dja n GLU 70 Cb 1.60 -4.90 -0.00 0.00 -0.57 0.00 0.00 31.44 27.56 2dja n GLU 70 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2dja n MET 71 N -4.41 0.09 -3.32 3.49 2.81 -1.26 -5.03 117.12 109.49 2dja n MET 71 Ca -0.05 0.22 -0.16 0.00 -1.81 0.00 0.00 57.70 55.90 2dja n MET 71 Cb 0.56 -0.85 0.08 0.00 -0.71 0.00 0.00 33.22 32.30 2dja n MET 71 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2dja n ASN 72 N -2.75 -4.20 -4.43 7.83 5.15 -1.26 -4.80 115.26 110.80 2dja n ASN 72 Ca -0.02 -0.65 -0.50 0.00 -0.60 0.00 0.00 54.58 52.81 2dja n ASN 72 Cb 0.07 -5.09 -0.08 0.00 -0.53 0.00 0.00 39.78 34.15 2dja n ASN 72 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2dja n LEU 73 N -3.66 1.87 -4.08 1.20 7.99 -1.26 -4.88 117.00 114.18 2dja n LEU 73 Ca -0.18 0.37 -0.35 0.00 -0.01 0.00 0.00 56.01 55.84 2dja n LEU 73 Cb 0.64 -1.22 -0.08 0.00 -0.11 0.00 0.00 43.42 42.66 2dja n LEU 73 CO 0.59 -0.78 0.25 -0.89 -1.51 0.00 0.00 177.39 175.05 2dja s THR 74 N 7.55 4.08 -0.41 -5.08 2.01 -1.26 -4.97 115.64 117.56 2dja s THR 74 Ca 1.12 -3.77 0.01 0.00 0.31 0.00 0.00 61.69 59.37 2dja s THR 74 Cb -0.92 -3.57 0.14 0.00 0.01 0.00 0.00 72.50 68.16 2dja s THR 74 CO 0.50 -1.04 0.23 0.54 -0.69 0.00 0.00 174.62 174.15 2dja s ASN 75 N -0.16 3.44 0.49 3.53 4.22 -1.26 -5.11 114.94 120.09 2dja s ASN 75 Ca 0.25 -2.46 0.02 0.00 -2.14 0.00 0.00 52.86 48.54 2dja s ASN 75 Cb -0.09 -0.83 -0.03 0.00 1.28 0.00 0.00 41.25 41.58 2dja s ASN 75 CO -0.11 -0.28 0.01 -0.76 -2.04 0.00 0.00 177.10 173.91 2dja s LEU 76 N 0.61 2.41 0.77 3.54 1.43 -1.26 -5.14 118.68 121.04 2dja s LEU 76 Ca 0.18 -1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 51.57 2dja s LEU 76 Cb -0.24 -0.75 0.05 0.00 0.03 0.00 0.00 46.19 45.29 2dja s LEU 76 CO 0.00 -0.77 1.08 0.68 0.23 0.00 0.00 176.35 177.58 2dja s VAL 77 N -2.85 3.40 -0.14 -1.59 -7.23 -1.26 -5.00 120.40 105.73 2dja s VAL 77 Ca 0.13 0.46 -0.27 0.00 -1.81 0.00 0.00 61.98 60.48 2dja s VAL 77 Cb 0.03 -3.02 -0.26 0.00 0.56 0.00 0.00 36.38 33.70 2dja s VAL 77 CO 0.06 -0.60 0.70 0.11 -0.31 0.00 0.00 175.10 175.07 2dja h LYS 78 N -1.08 0.03 -7.14 4.82 1.57 -1.94 -3.48 116.57 109.36 2dja h LYS 78 Ca -0.45 -0.06 -0.62 0.00 -1.87 0.00 0.00 60.65 57.65 2dja h LYS 78 Cb 1.23 0.02 -0.29 0.00 0.08 0.00 0.00 32.23 33.28 2dja h LYS 78 CO 0.54 1.03 -0.94 0.43 -0.57 0.00 0.00 179.45 179.93 2dja n SER 79 N -4.53 -0.32 0.00 0.86 7.64 -1.26 -4.66 113.62 111.35 2dja n SER 79 Ca -0.14 -1.26 0.00 0.00 1.01 0.00 0.00 58.87 58.48 2dja n SER 79 Cb 0.55 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 2dja n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dja n GLY 80 N -1.89 -0.89 0.14 0.23 0.00 -1.26 -4.99 105.19 96.53 2dja n GLY 80 Ca -0.13 0.24 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2dja n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dja h PRO 81 N 0.00 0.37 -2.43 1.61 0.13 -2.02 -3.46 132.00 126.21 2dja h PRO 81 Ca 0.00 -0.20 -0.09 0.00 -0.87 0.00 0.00 66.00 64.85 2dja h PRO 81 Cb 0.00 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 30.91 2dja h PRO 81 CO 0.00 0.75 -0.09 -1.54 -0.23 0.00 0.00 178.00 176.89 2dja s SER 82 N -6.14 -0.57 0.41 1.44 1.04 -1.26 -5.14 113.70 103.47 2dja s SER 82 Ca -0.14 1.09 -0.22 0.00 0.48 0.00 0.00 55.95 57.16 2dja s SER 82 Cb 0.05 1.10 -0.14 0.00 0.10 0.00 0.00 66.02 67.13 2dja s SER 82 CO 0.76 -0.19 0.35 -0.24 0.98 0.00 0.00 173.24 174.90 2dja n SER 83 N 2.90 -1.73 0.00 7.02 2.88 -1.26 -4.36 113.62 119.07 2dja n SER 83 Ca -0.14 0.87 0.03 0.00 -1.33 0.00 0.00 58.87 58.30 2dja n SER 83 Cb 0.56 -1.01 0.16 0.00 -0.75 0.00 0.00 64.21 63.17 2dja n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42