#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1haa s VAL 2 N 0.00 1.49 0.31 9.51 1.01 -1.26 -1.63 120.40 129.83 1haa s VAL 2 Ca 0.00 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.33 1haa s VAL 2 Cb 0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 36.38 35.01 1haa s VAL 2 CO 0.00 0.43 -0.00 0.00 0.00 0.00 0.00 175.10 175.53 1haa s HIS 4 N -3.09 3.63 0.18 0.00 3.76 -1.26 -1.63 115.29 116.88 1haa s HIS 4 Ca 0.33 0.83 0.10 0.00 -0.15 0.00 0.00 55.06 56.17 1haa s HIS 4 Cb 0.06 -2.28 -0.04 0.00 1.11 0.00 0.00 32.58 31.43 1haa s HIS 4 CO 0.14 0.51 -0.21 -0.08 -0.85 0.00 0.00 174.74 174.25 1haa s THR 5 N -0.53 2.12 -0.05 1.30 -1.32 0.29 -1.90 115.64 115.54 1haa s THR 5 Ca 0.21 -1.99 0.08 0.00 -1.21 0.00 0.00 61.69 58.78 1haa s THR 5 Cb -0.15 -2.00 0.12 0.00 -1.51 0.00 0.00 72.50 68.96 1haa s THR 5 CO 0.10 -0.22 1.04 0.35 -2.21 0.00 0.00 174.62 173.68 1haa n THR 6 N 0.25 0.81 0.10 5.08 -2.24 -1.17 -2.30 114.28 114.81 1haa n THR 6 Ca -0.13 -0.96 -0.17 0.00 -2.27 0.00 0.00 64.05 60.53 1haa n THR 6 Cb 0.57 0.22 -0.14 0.00 -2.10 0.00 0.00 70.33 68.88 1haa n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1haa h ALA 7 N 0.00 0.09 -3.00 6.98 0.00 -1.87 -3.47 119.26 117.99 1haa h ALA 7 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1haa h ALA 7 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1haa h ALA 7 CO 0.00 0.97 0.00 0.25 0.00 0.00 0.00 179.25 180.47 1haa n THR 8 N -3.54 0.00 0.04 0.00 -2.24 -1.26 -5.00 114.28 102.29 1haa n THR 8 Ca -0.09 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.67 1haa n THR 8 Cb 1.03 -0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 68.27 1haa n THR 8 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1haa h SER 9 N -0.86 -0.10 -3.46 3.42 0.87 -1.99 -3.45 113.55 107.98 1haa h SER 9 Ca 0.00 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 60.11 1haa h SER 9 Cb 0.00 0.03 0.07 0.00 -0.44 0.00 0.00 62.40 62.06 1haa h SER 9 CO 0.00 -0.04 0.16 -2.16 -0.53 0.00 0.00 176.83 174.27 1haa s PRO 10 N -2.39 2.33 -0.08 2.24 0.04 -1.26 -5.05 135.00 130.84 1haa s PRO 10 Ca -0.02 -0.36 -0.19 0.00 0.04 0.00 0.00 61.00 60.47 1haa s PRO 10 Cb 0.00 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1haa s PRO 10 CO 0.05 -1.07 0.54 0.96 0.04 0.00 0.00 177.00 177.52 1haa s ILE 11 N -3.11 5.10 0.18 0.56 -4.36 -1.26 -4.80 121.20 113.50 1haa s ILE 11 Ca 0.59 1.09 0.02 0.00 -0.26 0.00 0.00 60.65 62.10 1haa s ILE 11 Cb -0.11 -3.87 -0.01 0.00 1.25 0.00 0.00 42.46 39.72 1haa s ILE 11 CO 0.43 0.35 0.19 -1.54 0.24 0.00 0.00 174.94 174.61 1haa n SER 12 N 3.39 -0.51 -3.84 4.36 3.41 -0.97 -4.98 113.62 114.47 1haa n SER 12 Ca -0.06 -2.10 -0.15 0.00 -0.26 0.00 0.00 58.87 56.29 1haa n SER 12 Cb 0.51 1.06 -0.15 0.00 -0.26 0.00 0.00 64.21 65.37 1haa n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1haa s ALA 13 N -2.53 0.19 0.21 7.33 0.00 -1.26 0.11 121.76 125.80 1haa s ALA 13 Ca 0.19 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.27 1haa s ALA 13 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 1haa s ALA 13 CO 0.13 -0.04 0.03 1.55 0.00 0.00 0.00 175.76 177.43 1haa n VAL 14 N 3.72 0.00 -3.66 0.00 3.14 -0.65 -4.89 118.33 115.98 1haa n VAL 14 Ca -0.22 -1.05 -0.39 0.00 -2.96 0.00 0.00 64.34 59.72 1haa n VAL 14 Cb 0.54 0.28 -0.12 0.00 -1.06 0.00 0.00 33.84 33.48 1haa n VAL 14 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1haa s THR 15 N -1.97 4.32 0.24 1.55 2.01 -1.26 -1.29 115.64 119.24 1haa s THR 15 Ca 0.04 -0.82 -0.31 0.00 0.31 0.00 0.00 61.69 60.90 1haa s THR 15 Cb 0.00 -3.36 -0.13 0.00 0.01 0.00 0.00 72.50 69.03 1haa s THR 15 CO 0.03 -0.13 1.53 0.00 -0.69 0.00 0.00 174.62 175.36 1haa s PRO 17 N -0.02 -1.85 -0.06 0.00 0.04 -1.26 -4.42 135.00 127.43 1haa s PRO 17 Ca 0.70 0.29 -0.27 0.00 0.04 0.00 0.00 61.00 61.76 1haa s PRO 17 Cb -0.59 -1.49 -0.32 0.00 0.04 0.00 0.00 34.50 32.13 1haa s PRO 17 CO 0.45 -4.20 1.56 -0.35 0.04 0.00 0.00 177.00 174.50 1haa n PRO 18 N -5.17 0.13 0.00 0.56 -0.04 -1.26 -2.56 135.00 126.65 1haa n PRO 18 Ca 0.09 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 1haa n PRO 18 Cb 0.58 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1haa n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1haa n GLY 19 N 4.86 0.16 3.42 0.55 0.00 -1.26 -5.13 105.19 107.79 1haa n GLY 19 Ca 0.43 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 1haa n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1haa s GLU 20 N -1.11 2.75 0.00 1.61 8.01 -1.06 -4.42 118.70 124.48 1haa s GLU 20 Ca 0.00 -0.72 0.00 0.00 0.01 0.00 0.00 54.97 54.26 1haa s GLU 20 Cb 0.00 -2.42 0.00 0.00 -4.31 0.00 0.00 34.13 27.40 1haa s GLU 20 CO 0.00 0.48 0.00 0.09 0.01 0.00 0.00 175.26 175.84 1haa n ASN 21 N 2.72 3.71 -4.84 -0.19 4.13 -1.17 -4.59 115.26 115.03 1haa n ASN 21 Ca -0.17 -0.05 -0.22 0.00 1.68 0.00 0.00 54.58 55.82 1haa n ASN 21 Cb 0.52 0.84 -0.04 0.00 -1.54 0.00 0.00 39.78 39.56 1haa n ASN 21 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1haa s LEU 22 N -2.42 3.78 0.40 3.41 1.43 0.98 -4.60 118.68 121.66 1haa s LEU 22 Ca 0.00 -0.30 0.07 0.00 -1.03 0.00 0.00 54.13 52.87 1haa s LEU 22 Cb 0.00 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 1haa s LEU 22 CO 0.00 -0.13 0.21 0.00 0.23 0.00 0.00 176.35 176.66 1haa s TYR 24 N -2.56 -0.06 -0.19 0.00 -0.85 0.19 -1.85 117.35 112.02 1haa s TYR 24 Ca 0.42 0.12 -0.03 0.00 -0.52 0.00 0.00 57.07 57.06 1haa s TYR 24 Cb 0.02 0.00 0.06 0.00 0.38 0.00 0.00 41.96 42.43 1haa s TYR 24 CO 0.23 -0.23 0.04 0.50 -1.52 0.00 0.00 175.55 174.58 1haa s ARG 25 N -0.85 0.58 0.18 -3.49 3.52 -0.42 -2.31 118.95 116.16 1haa s ARG 25 Ca -0.09 -0.39 -0.13 0.00 -0.13 0.00 0.00 55.73 54.98 1haa s ARG 25 Cb -0.05 -2.08 -0.07 0.00 -1.56 0.00 0.00 34.95 31.19 1haa s ARG 25 CO 0.01 -0.65 0.57 0.21 -0.81 0.00 0.00 175.30 174.63 1haa s LYS 26 N 1.89 3.95 -0.11 5.12 2.20 -0.97 -0.87 119.74 130.96 1haa s LYS 26 Ca -0.00 0.47 -0.07 0.00 -0.36 0.00 0.00 55.97 56.00 1haa s LYS 26 Cb -0.17 -2.82 0.04 0.00 -1.51 0.00 0.00 37.83 33.37 1haa s LYS 26 CO -0.08 0.41 0.28 -1.64 -0.36 0.00 0.00 175.35 173.96 1haa s MET 27 N -2.24 0.26 -0.30 4.03 -1.94 -0.43 -1.47 119.30 117.22 1haa s MET 27 Ca 0.42 0.53 -0.15 0.00 -1.71 0.00 0.00 55.69 54.77 1haa s MET 27 Cb -0.14 -0.04 0.17 0.00 2.01 0.00 0.00 34.83 36.83 1haa s MET 27 CO 0.20 -0.13 1.01 1.67 -0.01 0.00 0.00 175.02 177.76 1haa s TRP 28 N 0.99 -0.62 -0.23 -0.03 1.48 -1.09 -3.31 118.94 116.13 1haa s TRP 28 Ca -0.07 1.09 -0.33 0.00 -1.06 0.00 0.00 56.10 55.73 1haa s TRP 28 Cb -0.08 0.37 -0.10 0.00 -1.16 0.00 0.00 33.47 32.51 1haa s TRP 28 CO -0.07 -0.31 2.10 0.00 -4.06 0.00 0.00 176.95 174.62 1haa s ASP 30 N 6.61 6.66 0.00 0.00 1.47 0.37 -4.63 116.67 127.15 1haa s ASP 30 Ca 1.02 2.14 0.00 0.00 1.18 0.00 0.00 52.55 56.89 1haa s ASP 30 Cb -0.65 -2.60 0.00 0.00 -0.34 0.00 0.00 42.92 39.34 1haa s ASP 30 CO 0.46 -0.56 0.00 0.00 0.68 0.00 0.00 175.17 175.74 1haa n ALA 31 N -0.03 0.00 -1.65 2.11 0.00 -1.26 -1.98 120.51 117.70 1haa n ALA 31 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.47 1haa n ALA 31 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 1haa n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1haa n PHE 32 N 1.74 0.00 -0.16 0.00 3.01 -1.26 -4.91 117.46 115.89 1haa n PHE 32 Ca 0.00 -0.16 0.26 0.00 1.01 0.00 0.00 57.45 58.56 1haa n PHE 32 Cb 0.00 0.33 0.44 0.00 -0.01 0.00 0.00 39.48 40.24 1haa n PHE 32 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1haa h SER 34 N 0.00 0.12 0.00 0.00 0.02 -1.94 -3.40 113.55 108.34 1haa h SER 34 Ca 0.44 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1haa h SER 34 Cb 2.72 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 65.23 1haa h SER 34 CO -0.00 0.96 0.00 -1.20 -1.14 0.00 0.00 176.83 175.44 1haa n SER 35 N -4.57 0.00 0.00 3.07 7.64 0.38 -4.91 113.62 115.23 1haa n SER 35 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1haa n SER 35 Cb 0.49 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1haa n SER 35 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1haa n ARG 36 N -1.39 0.00 0.00 1.43 5.12 0.90 -4.98 116.66 117.74 1haa n ARG 36 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1haa n ARG 36 Cb 0.00 -0.65 0.00 0.00 -1.16 0.00 0.00 32.46 30.65 1haa n ARG 36 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1haa n GLY 37 N 0.99 -0.07 3.25 -0.13 0.00 0.38 -4.68 105.19 104.92 1haa n GLY 37 Ca 0.00 -1.21 -0.53 0.00 0.00 0.00 0.00 46.02 44.28 1haa n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1haa n LYS 38 N 3.00 0.00 -2.29 1.61 5.02 -1.25 0.14 118.16 124.40 1haa n LYS 38 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1haa n LYS 38 Cb 0.00 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.51 1haa n LYS 38 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1haa s VAL 39 N 6.74 3.40 -0.24 -0.18 1.01 0.35 -4.62 120.40 126.86 1haa s VAL 39 Ca 1.22 1.14 -0.08 0.00 0.00 0.00 0.00 61.98 64.27 1haa s VAL 39 Cb -1.40 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 31.22 1haa s VAL 39 CO 0.60 0.17 0.08 -0.69 0.00 0.00 0.00 175.10 175.25 1haa s VAL 40 N 0.16 4.46 0.19 2.92 1.01 -1.26 -2.67 120.40 125.21 1haa s VAL 40 Ca 0.56 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.50 1haa s VAL 40 Cb -0.35 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1haa s VAL 40 CO 0.37 0.35 -0.10 -0.70 0.00 0.00 0.00 175.10 175.02 1haa s GLU 41 N 1.45 2.04 -0.02 2.72 2.56 -0.54 -4.95 118.70 121.96 1haa s GLU 41 Ca 0.06 -1.31 -0.02 0.00 0.00 0.00 0.00 54.97 53.70 1haa s GLU 41 Cb -0.15 -2.13 0.01 0.00 2.00 0.00 0.00 34.13 33.86 1haa s GLU 41 CO 0.04 0.42 0.06 -0.51 -0.56 0.00 0.00 175.26 174.72 1haa s LEU 42 N -2.91 1.71 0.00 2.70 1.02 -1.26 -2.28 118.68 117.66 1haa s LEU 42 Ca 0.25 0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.53 1haa s LEU 42 Cb -0.08 0.20 0.00 0.00 0.02 0.00 0.00 46.19 46.33 1haa s LEU 42 CO 0.15 -0.03 0.00 0.61 0.02 0.00 0.00 176.35 177.10 1haa n GLY 43 N 3.13 0.69 3.95 -3.19 0.00 -0.80 -3.02 105.19 105.95 1haa n GLY 43 Ca -0.13 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 1haa n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1haa s ALA 45 N -2.35 -1.78 0.06 0.00 0.00 0.30 -4.78 121.76 113.20 1haa s ALA 45 Ca 0.43 1.27 -0.11 0.00 0.00 0.00 0.00 51.96 53.55 1haa s ALA 45 Cb -0.10 -0.02 -0.29 0.00 0.00 0.00 0.00 23.12 22.72 1haa s ALA 45 CO 0.35 -0.42 1.11 0.00 0.00 0.00 0.00 175.76 176.80 1haa h ALA 46 N 2.76 0.01 -2.81 0.00 0.00 -1.79 0.28 119.26 117.71 1haa h ALA 46 Ca -0.26 -0.83 -0.39 0.00 0.00 0.00 0.00 54.91 53.43 1haa h ALA 46 Cb 1.17 0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 1haa h ALA 46 CO 0.37 0.79 -0.52 0.95 0.00 0.00 0.00 179.25 180.84 1haa s THR 47 N -2.79 0.00 -0.71 0.00 -4.23 -1.26 -4.45 115.64 102.20 1haa s THR 47 Ca -0.07 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.34 1haa s THR 47 Cb 0.06 -2.50 0.18 0.00 1.34 0.00 0.00 72.50 71.58 1haa s THR 47 CO 0.92 0.00 0.62 0.00 -0.54 0.00 0.00 174.62 175.62 1haa n PRO 49 N 4.19 -3.37 -0.12 0.00 -0.04 -1.26 -5.03 135.00 129.37 1haa n PRO 49 Ca 0.06 -1.62 -0.15 0.00 -0.04 0.00 0.00 63.50 61.75 1haa n PRO 49 Cb 0.44 -1.61 0.14 0.00 -0.04 0.00 0.00 33.50 32.43 1haa n PRO 49 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1haa n SER 50 N -4.96 -3.01 -3.64 3.54 7.64 -1.26 -5.02 113.62 106.90 1haa n SER 50 Ca 0.14 -0.42 -0.06 0.00 1.01 0.00 0.00 58.87 59.55 1haa n SER 50 Cb 0.56 -0.49 -0.07 0.00 -1.01 0.00 0.00 64.21 63.21 1haa n SER 50 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1haa s LYS 51 N -3.89 0.40 0.46 1.43 -2.85 -1.26 -4.85 119.74 109.17 1haa s LYS 51 Ca 0.32 0.56 -0.17 0.00 -1.00 0.00 0.00 55.97 55.68 1haa s LYS 51 Cb -0.06 0.15 -0.09 0.00 -2.06 0.00 0.00 37.83 35.78 1haa s LYS 51 CO 0.27 -0.06 0.93 0.15 0.10 0.00 0.00 175.35 176.73 1haa s LYS 52 N 0.69 4.03 0.53 1.78 1.02 -1.18 -4.93 119.74 121.67 1haa s LYS 52 Ca -0.02 0.93 0.35 0.00 0.02 0.00 0.00 55.97 57.25 1haa s LYS 52 Cb -0.04 -2.21 1.52 0.00 -0.52 0.00 0.00 37.83 36.58 1haa s LYS 52 CO -0.11 -0.13 1.80 -1.35 -0.92 0.00 0.00 175.35 174.65 1haa h PRO 53 N 1.40 0.03 0.00 -1.68 0.11 -2.02 -3.20 132.00 126.64 1haa h PRO 53 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1haa h PRO 53 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1haa h PRO 53 CO 0.62 0.02 0.00 0.66 -0.21 0.00 0.00 178.00 179.09 1haa n TYR 54 N -4.22 0.00 -2.24 0.65 4.01 -1.26 -4.71 117.16 109.40 1haa n TYR 54 Ca 0.26 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.67 1haa n TYR 54 Cb 1.22 -0.09 -0.04 0.00 -0.31 0.00 0.00 39.34 40.12 1haa n TYR 54 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1haa s GLU 55 N -0.43 2.97 0.13 -0.72 2.02 -1.21 -4.54 118.70 116.93 1haa s GLU 55 Ca 0.00 -1.16 0.02 0.00 0.02 0.00 0.00 54.97 53.86 1haa s GLU 55 Cb 0.00 -5.28 -0.04 0.00 0.10 0.00 0.00 34.13 28.91 1haa s GLU 55 CO 0.00 -3.25 0.25 -1.21 0.02 0.00 0.00 175.26 171.07 1haa s GLU 56 N 5.91 3.37 -0.06 1.61 2.02 -1.21 -3.08 118.70 127.27 1haa s GLU 56 Ca 0.63 -0.59 -0.00 0.00 0.02 0.00 0.00 54.97 55.02 1haa s GLU 56 Cb -0.01 -2.94 0.03 0.00 0.10 0.00 0.00 34.13 31.30 1haa s GLU 56 CO 0.06 0.54 -0.01 0.14 0.02 0.00 0.00 175.26 176.01 1haa s VAL 57 N -1.69 0.35 -0.34 2.63 -7.23 -1.26 -1.31 120.40 111.55 1haa s VAL 57 Ca 0.34 0.08 -0.18 0.00 -1.81 0.00 0.00 61.98 60.41 1haa s VAL 57 Cb -0.11 -0.47 -0.01 0.00 0.56 0.00 0.00 36.38 36.35 1haa s VAL 57 CO 0.28 0.23 0.52 0.42 -0.31 0.00 0.00 175.10 176.23 1haa s THR 58 N 1.56 5.01 -0.13 5.32 -4.23 -0.04 -4.84 115.64 118.29 1haa s THR 58 Ca -0.02 0.43 -0.07 0.00 -1.18 0.00 0.00 61.69 60.86 1haa s THR 58 Cb -0.13 -3.95 -0.04 0.00 1.34 0.00 0.00 72.50 69.72 1haa s THR 58 CO -0.03 -0.18 0.11 0.00 -0.54 0.00 0.00 174.62 173.98 1haa n SER 61 N -0.34 5.32 -3.73 0.00 3.41 -1.26 -1.57 113.62 115.44 1haa n SER 61 Ca -0.07 -3.72 -0.10 0.00 -0.26 0.00 0.00 58.87 54.72 1haa n SER 61 Cb 0.62 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.86 1haa n SER 61 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1haa s THR 62 N -4.87 0.05 0.56 6.66 2.01 -1.26 -5.03 115.64 113.75 1haa s THR 62 Ca 0.48 -0.78 -0.18 0.00 0.31 0.00 0.00 61.69 61.51 1haa s THR 62 Cb 0.32 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 1haa s THR 62 CO -0.19 -0.22 1.09 -0.62 -0.69 0.00 0.00 174.62 174.00 1haa s ASP 63 N -2.86 5.73 -1.37 3.53 -1.08 -1.26 -3.41 116.67 115.95 1haa s ASP 63 Ca 0.08 2.03 -0.15 0.00 -0.52 0.00 0.00 52.55 53.98 1haa s ASP 63 Cb 0.01 -2.56 0.15 0.00 -1.46 0.00 0.00 42.92 39.06 1haa s ASP 63 CO -0.06 -1.21 0.38 2.29 0.52 0.00 0.00 175.17 177.10 1haa n LYS 64 N -1.59 -0.81 0.02 4.34 2.85 -0.20 -4.75 118.16 118.02 1haa n LYS 64 Ca 0.10 0.10 0.12 0.00 -1.05 0.00 0.00 58.31 57.58 1haa n LYS 64 Cb 0.52 -3.39 0.16 0.00 -0.65 0.00 0.00 35.03 31.67 1haa n LYS 64 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1haa n ASN 66 N -1.76 5.51 -4.89 0.00 6.94 -1.26 -4.93 115.26 114.87 1haa n ASN 66 Ca 0.04 -3.70 -0.29 0.00 -0.02 0.00 0.00 54.58 50.61 1haa n ASN 66 Cb 0.38 -0.75 0.00 0.00 -2.36 0.00 0.00 39.78 37.06 1haa n ASN 66 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1haa s PRO 67 N -3.76 3.56 0.26 -0.53 0.04 -1.26 -4.56 135.00 128.74 1haa s PRO 67 Ca 0.46 0.42 -0.31 0.00 0.04 0.00 0.00 61.00 61.62 1haa s PRO 67 Cb 0.28 -2.25 -0.13 0.00 0.04 0.00 0.00 34.50 32.45 1haa s PRO 67 CO -0.16 -0.36 1.53 1.58 0.04 0.00 0.00 177.00 179.62 1haa n HIS 68 N -2.47 2.53 0.14 0.56 -0.00 -1.26 -4.85 115.22 109.88 1haa n HIS 68 Ca 0.03 0.31 0.18 0.00 0.46 0.00 0.00 57.72 58.70 1haa n HIS 68 Cb 0.55 -2.54 0.78 0.00 -0.12 0.00 0.00 29.99 28.65 1haa n HIS 68 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1haa h PRO 69 N 4.78 0.00 0.00 1.57 0.11 -2.00 -0.59 132.00 135.87 1haa h PRO 69 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1haa h PRO 69 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1haa h PRO 69 CO 0.80 0.00 -0.29 1.63 -0.21 0.00 0.00 178.00 179.92 1haa n LYS 70 N -3.90 1.42 -2.17 1.05 4.76 -1.26 -5.06 118.16 113.00 1haa n LYS 70 Ca 0.04 -2.95 -0.41 0.00 -2.87 0.00 0.00 58.31 52.13 1haa n LYS 70 Cb 0.45 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 32.08 1haa n LYS 70 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1haa s GLN 71 N -3.00 4.40 0.11 1.97 -1.52 -0.23 -4.96 119.66 116.43 1haa s GLN 71 Ca 0.35 2.16 -0.31 0.00 -1.95 0.00 0.00 55.36 55.60 1haa s GLN 71 Cb 0.33 -3.09 -0.08 0.00 -0.22 0.00 0.00 33.01 29.95 1haa s GLN 71 CO -0.03 -0.13 1.45 0.50 -0.25 0.00 0.00 175.29 176.83 1haa s ARG 72 N -1.72 4.29 0.82 2.91 3.00 -1.26 -4.99 118.95 122.00 1haa s ARG 72 Ca 0.48 2.15 -0.11 0.00 -1.00 0.00 0.00 55.73 57.25 1haa s ARG 72 Cb -0.39 -3.28 0.08 0.00 0.00 0.00 0.00 34.95 31.37 1haa s ARG 72 CO 0.51 -0.51 1.10 -1.25 0.00 0.00 0.00 175.30 175.15 1haa s PRO 73 N 1.33 1.91 0.00 5.12 0.04 -1.26 -5.15 135.00 137.00 1haa s PRO 73 Ca 0.66 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1haa s PRO 73 Cb -0.38 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1haa s PRO 73 CO 0.30 -1.75 0.00 0.41 0.04 0.00 0.00 177.00 176.01