#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1haj s VAL 2 N 0.00 2.63 0.11 9.51 1.01 -1.25 -1.93 120.40 130.47 1haj s VAL 2 Ca 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 1haj s VAL 2 Cb 0.00 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1haj s VAL 2 CO 0.00 0.49 0.07 0.00 0.00 0.00 0.00 175.10 175.66 1haj s HIS 4 N -3.99 3.67 0.13 0.00 3.76 -1.26 -2.10 115.29 115.51 1haj s HIS 4 Ca 0.17 1.07 0.07 0.00 -0.15 0.00 0.00 55.06 56.22 1haj s HIS 4 Cb 0.07 -2.48 -0.04 0.00 1.11 0.00 0.00 32.58 31.24 1haj s HIS 4 CO -0.03 0.43 -0.17 -0.08 -0.85 0.00 0.00 174.74 174.04 1haj s THR 5 N -0.38 1.54 0.00 1.30 -1.32 -0.10 -0.54 115.64 116.14 1haj s THR 5 Ca 0.27 -1.73 0.00 0.00 -1.21 0.00 0.00 61.69 59.02 1haj s THR 5 Cb -0.17 -1.61 0.00 0.00 -1.51 0.00 0.00 72.50 69.21 1haj s THR 5 CO 0.14 -0.31 0.03 0.35 -2.21 0.00 0.00 174.62 172.62 1haj n THR 6 N 0.59 0.00 -0.38 5.08 -2.24 -1.01 -2.50 114.28 113.82 1haj n THR 6 Ca -0.16 -0.47 0.38 0.00 -2.27 0.00 0.00 64.05 61.53 1haj n THR 6 Cb 0.56 1.00 0.76 0.00 -2.10 0.00 0.00 70.33 70.56 1haj n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1haj h ALA 7 N 0.00 3.25 -3.53 6.98 0.00 -1.91 -3.40 119.26 120.65 1haj h ALA 7 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 1haj h ALA 7 Cb 0.00 0.10 0.08 0.00 0.00 0.00 0.00 17.79 17.97 1haj h ALA 7 CO 0.00 -1.62 0.20 0.25 0.00 0.00 0.00 179.25 178.07 1haj n THR 8 N -4.14 0.00 0.18 0.00 -2.24 -1.26 -5.03 114.28 101.79 1haj n THR 8 Ca 0.28 -0.51 -0.07 0.00 -2.27 0.00 0.00 64.05 61.48 1haj n THR 8 Cb 1.37 -1.70 -0.04 0.00 -2.10 0.00 0.00 70.33 67.86 1haj n THR 8 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1haj h SER 9 N -0.82 -0.41 -2.84 3.42 0.87 -1.97 -3.45 113.55 108.34 1haj h SER 9 Ca -0.21 0.01 -0.47 0.00 -1.23 0.00 0.00 61.79 59.90 1haj h SER 9 Cb 0.59 0.11 0.02 0.00 -0.44 0.00 0.00 62.40 62.67 1haj h SER 9 CO 0.15 -0.14 -0.12 -2.16 -0.53 0.00 0.00 176.83 174.03 1haj s PRO 10 N -3.29 3.32 0.16 2.24 0.05 -1.26 -5.06 135.00 131.15 1haj s PRO 10 Ca -0.07 -0.35 -0.30 0.00 0.05 0.00 0.00 61.00 60.33 1haj s PRO 10 Cb 0.01 -2.59 -0.07 0.00 0.05 0.00 0.00 34.50 31.89 1haj s PRO 10 CO 0.21 -0.06 0.97 0.96 0.05 0.00 0.00 177.00 179.14 1haj s ILE 11 N -2.45 4.30 -0.03 0.56 -0.00 -1.26 -4.82 121.20 117.49 1haj s ILE 11 Ca 0.44 2.02 -0.23 0.00 -0.00 0.00 0.00 60.65 62.88 1haj s ILE 11 Cb -0.10 -4.29 0.05 0.00 -0.00 0.00 0.00 42.46 38.12 1haj s ILE 11 CO 0.38 0.36 0.49 -0.94 -0.00 0.00 0.00 174.94 175.23 1haj s SER 12 N -0.36 -0.42 0.08 4.36 1.04 -1.04 -4.99 113.70 112.36 1haj s SER 12 Ca 0.45 0.40 0.09 0.00 0.48 0.00 0.00 55.95 57.37 1haj s SER 12 Cb -0.25 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 1haj s SER 12 CO 0.31 -0.53 -0.22 0.00 0.98 0.00 0.00 173.24 173.78 1haj s ALA 13 N -1.25 2.47 0.27 5.32 0.00 -1.26 -0.93 121.76 126.38 1haj s ALA 13 Ca -0.12 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 50.52 1haj s ALA 13 Cb -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1haj s ALA 13 CO 0.07 0.56 0.37 1.55 0.00 0.00 0.00 175.76 178.30 1haj n VAL 14 N 1.34 0.00 -3.05 0.00 3.14 -0.89 -4.89 118.33 113.97 1haj n VAL 14 Ca -0.17 -1.39 -0.44 0.00 -2.96 0.00 0.00 64.34 59.39 1haj n VAL 14 Cb 0.52 0.84 -0.05 0.00 -1.06 0.00 0.00 33.84 34.10 1haj n VAL 14 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1haj s THR 15 N -2.74 4.70 0.29 1.55 2.01 -1.26 -1.84 115.64 118.34 1haj s THR 15 Ca 0.23 -0.40 -0.27 0.00 0.31 0.00 0.00 61.69 61.56 1haj s THR 15 Cb -0.01 -4.42 -0.15 0.00 0.01 0.00 0.00 72.50 67.93 1haj s THR 15 CO 0.16 -0.99 0.75 0.00 -0.69 0.00 0.00 174.62 173.85 1haj n PRO 17 N 0.79 -3.28 -0.75 0.00 -0.02 -1.26 -4.68 135.00 125.80 1haj n PRO 17 Ca 0.13 -1.04 -0.26 0.00 -2.02 0.00 0.00 63.50 60.30 1haj n PRO 17 Cb 0.31 -1.54 -0.03 0.00 -0.02 0.00 0.00 33.50 32.22 1haj n PRO 17 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1haj n PRO 18 N -3.79 1.59 0.00 0.52 -0.04 -1.26 -3.12 135.00 128.89 1haj n PRO 18 Ca 0.10 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 1haj n PRO 18 Cb 0.43 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1haj n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1haj n GLY 19 N 4.05 -0.09 3.76 0.55 0.00 -1.26 -5.13 105.19 107.07 1haj n GLY 19 Ca 0.41 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 1haj n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1haj s GLU 20 N -1.39 2.99 0.00 1.61 0.41 -1.18 -4.52 118.70 116.61 1haj s GLU 20 Ca 0.00 -0.52 0.00 0.00 -0.41 0.00 0.00 54.97 54.04 1haj s GLU 20 Cb 0.00 -2.81 0.00 0.00 -1.78 0.00 0.00 34.13 29.54 1haj s GLU 20 CO 0.00 0.64 0.00 0.09 -0.49 0.00 0.00 175.26 175.50 1haj n ASN 21 N 1.23 0.91 -4.93 -0.19 3.02 -0.65 -4.40 115.26 110.24 1haj n ASN 21 Ca -0.13 -0.05 -0.19 0.00 -0.03 0.00 0.00 54.58 54.18 1haj n ASN 21 Cb 0.53 0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 39.96 1haj n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1haj s LEU 22 N -0.73 3.53 0.36 3.41 1.43 0.36 -4.36 118.68 122.67 1haj s LEU 22 Ca 0.00 -0.58 0.09 0.00 -1.03 0.00 0.00 54.13 52.60 1haj s LEU 22 Cb 0.00 -2.33 -0.06 0.00 0.03 0.00 0.00 46.19 43.83 1haj s LEU 22 CO 0.00 -0.67 0.01 0.00 0.23 0.00 0.00 176.35 175.92 1haj s TYR 24 N -2.56 -0.41 -0.19 0.00 -0.85 0.44 -2.23 117.35 111.54 1haj s TYR 24 Ca 0.35 0.99 -0.02 0.00 -0.52 0.00 0.00 57.07 57.88 1haj s TYR 24 Cb 0.02 0.14 0.06 0.00 0.38 0.00 0.00 41.96 42.56 1haj s TYR 24 CO 0.19 -0.21 0.00 0.50 -1.52 0.00 0.00 175.55 174.52 1haj s ARG 25 N 0.15 0.97 0.07 -3.49 3.52 -0.76 -1.95 118.95 117.47 1haj s ARG 25 Ca -0.00 -0.54 -0.18 0.00 -0.13 0.00 0.00 55.73 54.87 1haj s ARG 25 Cb -0.03 -2.15 -0.07 0.00 -1.56 0.00 0.00 34.95 31.14 1haj s ARG 25 CO 0.01 -0.59 0.55 0.21 -0.81 0.00 0.00 175.30 174.67 1haj s LYS 26 N 1.73 4.15 -0.07 5.12 2.20 -0.95 -2.25 119.74 129.67 1haj s LYS 26 Ca -0.02 0.68 -0.06 0.00 -0.36 0.00 0.00 55.97 56.21 1haj s LYS 26 Cb -0.17 -3.21 0.02 0.00 -1.51 0.00 0.00 37.83 32.96 1haj s LYS 26 CO -0.07 0.63 0.18 -1.64 -0.36 0.00 0.00 175.35 174.09 1haj s MET 27 N -1.18 0.21 0.00 4.03 -1.94 -0.10 -0.58 119.30 119.74 1haj s MET 27 Ca 0.29 0.26 0.00 0.00 -1.71 0.00 0.00 55.69 54.53 1haj s MET 27 Cb -0.19 0.10 0.00 0.00 2.01 0.00 0.00 34.83 36.75 1haj s MET 27 CO 0.18 -0.03 0.00 -2.67 -0.01 0.00 0.00 175.02 172.49 1haj n TRP 28 N 3.02 0.00 -3.78 -0.03 4.27 -1.08 -2.98 117.44 116.86 1haj n TRP 28 Ca -0.13 0.00 -0.17 0.00 -3.89 0.00 0.00 57.50 53.31 1haj n TRP 28 Cb 0.59 0.00 -0.17 0.00 -1.36 0.00 0.00 31.31 30.37 1haj n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1haj s ASP 30 N 1.39 6.89 0.00 0.00 1.01 1.20 -4.26 116.67 122.90 1haj s ASP 30 Ca -0.05 2.44 0.00 0.00 0.71 0.00 0.00 52.55 55.65 1haj s ASP 30 Cb -0.13 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.19 1haj s ASP 30 CO -0.03 -0.52 0.12 0.00 0.21 0.00 0.00 175.17 174.95 1haj n ALA 31 N 2.39 0.00 0.00 5.23 0.00 -1.26 0.35 120.51 127.22 1haj n ALA 31 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1haj n ALA 31 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1haj n ALA 31 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1haj n PHE 32 N 2.19 0.00 -3.07 0.00 -0.00 -1.26 -4.85 117.46 110.47 1haj n PHE 32 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.25 1haj n PHE 32 Cb 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 39.50 1haj n PHE 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1haj n SER 34 N -1.34 0.00 0.20 0.00 7.64 -1.26 -4.86 113.62 114.01 1haj n SER 34 Ca 0.06 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.85 1haj n SER 34 Cb 0.33 0.18 -0.04 0.00 -1.01 0.00 0.00 64.21 63.67 1haj n SER 34 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1haj h SER 35 N 0.00 -0.47 0.00 6.43 0.87 -1.92 -3.39 113.55 115.07 1haj h SER 35 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1haj h SER 35 Cb 0.00 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1haj h SER 35 CO 0.00 -0.18 0.00 0.54 -0.53 0.00 0.00 176.83 176.66 1haj n ARG 36 N -4.34 0.00 0.00 2.24 5.12 -1.26 -5.03 116.66 113.39 1haj n ARG 36 Ca -0.07 0.10 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1haj n ARG 36 Cb 0.22 -0.86 0.00 0.00 -1.16 0.00 0.00 32.46 30.66 1haj n ARG 36 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1haj n GLY 37 N 0.82 0.40 3.74 -0.13 0.00 -1.23 -4.89 105.19 103.90 1haj n GLY 37 Ca 0.00 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 1haj n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1haj s LYS 38 N 0.00 4.30 0.60 1.61 1.02 -1.24 0.38 119.74 126.41 1haj s LYS 38 Ca 0.00 0.53 -0.17 0.00 0.02 0.00 0.00 55.97 56.35 1haj s LYS 38 Cb 0.00 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 1haj s LYS 38 CO 0.00 0.25 1.13 0.08 -0.92 0.00 0.00 175.35 175.88 1haj s VAL 39 N 0.31 3.14 -0.18 3.17 1.01 -0.95 -4.22 120.40 122.68 1haj s VAL 39 Ca 0.28 0.63 -0.04 0.00 0.00 0.00 0.00 61.98 62.85 1haj s VAL 39 Cb -0.16 -3.19 0.06 0.00 0.00 0.00 0.00 36.38 33.09 1haj s VAL 39 CO 0.12 -0.23 0.06 -0.69 0.00 0.00 0.00 175.10 174.36 1haj s VAL 40 N -1.99 0.28 0.27 2.92 1.01 -1.25 -2.63 120.40 119.01 1haj s VAL 40 Ca 0.71 -0.39 0.11 0.00 0.00 0.00 0.00 61.98 62.40 1haj s VAL 40 Cb -0.23 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1haj s VAL 40 CO 0.34 -0.23 -0.09 -0.70 0.00 0.00 0.00 175.10 174.41 1haj s GLU 41 N 1.97 2.01 -0.01 2.72 2.56 0.25 -4.95 118.70 123.25 1haj s GLU 41 Ca 0.00 -1.57 -0.05 0.00 0.00 0.00 0.00 54.97 53.36 1haj s GLU 41 Cb -0.17 -1.99 0.00 0.00 2.00 0.00 0.00 34.13 33.98 1haj s GLU 41 CO -0.08 0.35 0.10 -0.51 -0.56 0.00 0.00 175.26 174.56 1haj s LEU 42 N -3.57 1.67 0.00 2.70 1.02 -1.26 -2.24 118.68 117.00 1haj s LEU 42 Ca 0.31 -0.09 0.00 0.00 0.02 0.00 0.00 54.13 54.36 1haj s LEU 42 Cb -0.06 0.48 0.00 0.00 0.02 0.00 0.00 46.19 46.63 1haj s LEU 42 CO 0.18 -0.24 0.00 0.61 0.02 0.00 0.00 176.35 176.92 1haj n GLY 43 N 2.06 -0.86 3.16 -3.19 0.00 0.30 -2.39 105.19 104.26 1haj n GLY 43 Ca -0.19 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 44.58 1haj n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1haj n ALA 45 N 1.58 -0.11 -0.04 0.00 0.00 0.72 -4.91 120.51 117.74 1haj n ALA 45 Ca -0.20 -1.12 -0.00 0.00 0.00 0.00 0.00 53.44 52.12 1haj n ALA 45 Cb 0.54 0.90 -0.11 0.00 0.00 0.00 0.00 19.45 20.78 1haj n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1haj n ALA 46 N -1.46 2.06 -3.86 0.00 0.00 -1.26 0.14 120.51 116.13 1haj n ALA 46 Ca -0.09 -0.68 -0.13 0.00 0.00 0.00 0.00 53.44 52.54 1haj n ALA 46 Cb 0.40 -0.26 -0.04 0.00 0.00 0.00 0.00 19.45 19.55 1haj n ALA 46 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1haj n THR 47 N -2.30 0.00 -3.40 0.00 5.66 -1.26 -4.65 114.28 108.33 1haj n THR 47 Ca -0.14 -1.17 -0.43 0.00 -3.05 0.00 0.00 64.05 59.25 1haj n THR 47 Cb 0.71 0.47 -0.09 0.00 -1.55 0.00 0.00 70.33 69.87 1haj n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1haj s PRO 49 N 1.82 1.65 1.04 0.00 0.04 -1.26 -5.01 135.00 133.29 1haj s PRO 49 Ca 0.07 1.52 -0.14 0.00 0.04 0.00 0.00 61.00 62.50 1haj s PRO 49 Cb -0.20 -1.80 0.21 0.00 0.04 0.00 0.00 34.50 32.75 1haj s PRO 49 CO 0.10 -2.15 1.10 -1.54 0.04 0.00 0.00 177.00 174.55 1haj s SER 50 N -2.64 2.25 0.45 6.66 1.04 -1.26 -4.97 113.70 115.24 1haj s SER 50 Ca 0.68 1.04 0.05 0.00 0.48 0.00 0.00 55.95 58.19 1haj s SER 50 Cb -0.23 -1.61 0.01 0.00 0.10 0.00 0.00 66.02 64.29 1haj s SER 50 CO 0.53 -3.34 0.63 -0.54 0.98 0.00 0.00 173.24 171.50 1haj s LYS 51 N -5.07 2.81 0.02 4.02 3.01 -1.26 -4.83 119.74 118.44 1haj s LYS 51 Ca 0.67 -0.98 -0.01 0.00 -1.01 0.00 0.00 55.97 54.63 1haj s LYS 51 Cb -0.17 -2.66 -0.02 0.00 -1.01 0.00 0.00 37.83 33.98 1haj s LYS 51 CO 0.57 -0.35 -0.00 0.15 0.51 0.00 0.00 175.35 176.23 1haj s LYS 52 N -4.47 0.32 -1.00 1.68 -0.14 -1.14 -5.05 119.74 109.93 1haj s LYS 52 Ca 0.53 -0.53 -0.07 0.00 -1.36 0.00 0.00 55.97 54.54 1haj s LYS 52 Cb -0.10 0.12 -0.09 0.00 -1.68 0.00 0.00 37.83 36.08 1haj s LYS 52 CO 0.35 -0.06 2.54 -0.35 -0.76 0.00 0.00 175.35 177.07 1haj n PRO 53 N 1.68 2.55 0.00 -1.68 -0.04 -1.26 -2.94 135.00 133.30 1haj n PRO 53 Ca -0.23 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.64 1haj n PRO 53 Cb 0.55 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 1haj n PRO 53 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1haj n TYR 54 N 3.71 0.00 -3.79 0.54 4.19 -1.26 -5.12 117.16 115.43 1haj n TYR 54 Ca 0.54 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 61.53 1haj n TYR 54 Cb 0.26 0.00 -0.17 0.00 0.49 0.00 0.00 39.34 39.92 1haj n TYR 54 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1haj s GLU 55 N 0.00 0.56 0.19 2.98 2.02 -1.15 -4.53 118.70 118.77 1haj s GLU 55 Ca 0.00 0.12 0.08 0.00 0.02 0.00 0.00 54.97 55.19 1haj s GLU 55 Cb 0.00 -0.91 -0.04 0.00 0.10 0.00 0.00 34.13 33.27 1haj s GLU 55 CO 0.00 -0.29 -0.02 -1.21 0.02 0.00 0.00 175.26 173.76 1haj s GLU 56 N 1.90 2.33 0.10 1.61 2.02 -1.16 -2.89 118.70 122.61 1haj s GLU 56 Ca 0.04 -1.19 0.03 0.00 0.02 0.00 0.00 54.97 53.87 1haj s GLU 56 Cb -0.12 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 1haj s GLU 56 CO -0.05 0.44 -0.08 0.14 0.02 0.00 0.00 175.26 175.73 1haj s VAL 57 N -1.82 0.81 -0.09 2.63 -7.23 -1.26 -0.92 120.40 112.51 1haj s VAL 57 Ca 0.28 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1haj s VAL 57 Cb -0.09 -1.59 0.02 0.00 0.56 0.00 0.00 36.38 35.28 1haj s VAL 57 CO 0.18 -0.77 -0.08 0.42 -0.31 0.00 0.00 175.10 174.54 1haj s THR 58 N -3.23 0.99 0.05 5.32 -4.23 -0.95 -4.96 115.64 108.62 1haj s THR 58 Ca 0.10 -0.31 0.03 0.00 -1.18 0.00 0.00 61.69 60.33 1haj s THR 58 Cb 0.02 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.85 1haj s THR 58 CO -0.03 0.35 0.03 0.00 -0.54 0.00 0.00 174.62 174.43 1haj n SER 61 N -2.42 0.08 -1.20 0.00 3.41 -1.26 -2.43 113.62 109.80 1haj n SER 61 Ca 0.00 -2.03 0.08 0.00 -0.26 0.00 0.00 58.87 56.67 1haj n SER 61 Cb 0.06 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.30 1haj n SER 61 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1haj n THR 62 N -0.06 1.71 -1.61 6.66 -1.04 -1.26 -5.07 114.28 113.62 1haj n THR 62 Ca -0.09 -1.29 0.00 0.00 -2.04 0.00 0.00 64.05 60.63 1haj n THR 62 Cb 0.91 0.15 0.00 0.00 -1.82 0.00 0.00 70.33 69.57 1haj n THR 62 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1haj n ASP 63 N 0.64 -8.65 -2.40 8.00 2.03 -1.26 -4.47 116.55 110.44 1haj n ASP 63 Ca 0.21 1.71 -0.12 0.00 0.52 0.00 0.00 54.79 57.11 1haj n ASP 63 Cb 0.77 -5.10 -0.02 0.00 -0.72 0.00 0.00 41.12 36.05 1haj n ASP 63 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1haj n LYS 64 N -2.08 -1.39 0.00 -0.67 5.02 -0.52 -4.69 118.16 113.83 1haj n LYS 64 Ca 0.00 0.04 0.12 0.00 -2.02 0.00 0.00 58.31 56.45 1haj n LYS 64 Cb 0.34 -2.42 0.25 0.00 -0.02 0.00 0.00 35.03 33.17 1haj n LYS 64 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1haj n ASN 66 N -0.99 5.98 -4.86 0.00 6.94 -1.26 -5.02 115.26 116.05 1haj n ASN 66 Ca 0.09 -3.74 -0.33 0.00 -0.02 0.00 0.00 54.58 50.57 1haj n ASN 66 Cb 0.35 -0.79 -0.06 0.00 -2.36 0.00 0.00 39.78 36.93 1haj n ASN 66 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1haj s PRO 67 N -3.83 3.89 -0.14 -0.53 0.04 -1.26 -4.55 135.00 128.62 1haj s PRO 67 Ca 0.48 0.41 -0.35 0.00 0.04 0.00 0.00 61.00 61.57 1haj s PRO 67 Cb 0.35 -2.69 -0.12 0.00 0.04 0.00 0.00 34.50 32.08 1haj s PRO 67 CO -0.24 0.33 1.90 1.58 0.04 0.00 0.00 177.00 180.61 1haj n HIS 68 N 0.08 2.24 -1.18 0.56 -0.00 -1.26 -4.82 115.22 110.83 1haj n HIS 68 Ca -0.00 0.08 -0.37 0.00 -0.00 0.00 0.00 57.72 57.42 1haj n HIS 68 Cb 0.52 -2.63 -0.03 0.00 -0.00 0.00 0.00 29.99 27.85 1haj n HIS 68 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1haj n PRO 69 N 6.67 2.23 0.00 1.57 -0.04 -1.26 -2.83 135.00 141.33 1haj n PRO 69 Ca 0.25 -1.95 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 1haj n PRO 69 Cb 0.27 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 1haj n PRO 69 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1haj n LYS 70 N 5.62 0.00 -0.57 0.54 3.00 -1.26 -5.16 118.16 120.33 1haj n LYS 70 Ca 0.52 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.60 1haj n LYS 70 Cb 0.30 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.49 1haj n LYS 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1haj n GLN 71 N 0.00 -2.13 -3.13 1.64 10.64 -1.13 -4.98 117.38 118.29 1haj n GLN 71 Ca 0.00 -0.62 -0.29 0.00 -1.83 0.00 0.00 57.00 54.26 1haj n GLN 71 Cb 0.00 -1.54 -0.03 0.00 -0.86 0.00 0.00 30.24 27.81 1haj n GLN 71 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1haj s ARG 72 N -3.48 3.66 -0.19 2.61 3.00 -1.26 -5.03 118.95 118.26 1haj s ARG 72 Ca 0.43 0.15 -0.29 0.00 0.00 0.00 0.00 55.73 56.02 1haj s ARG 72 Cb -0.07 -2.55 -0.02 0.00 0.00 0.00 0.00 34.95 32.31 1haj s ARG 72 CO 0.45 0.10 1.42 -1.25 0.00 0.00 0.00 175.30 176.02 1haj s PRO 73 N -3.78 4.05 0.00 3.54 0.04 -1.26 -5.15 135.00 132.43 1haj s PRO 73 Ca 0.46 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1haj s PRO 73 Cb -0.10 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1haj s PRO 73 CO 0.32 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.80