#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hj1 s ASN 11 N 0.00 6.61 -0.11 1.96 3.84 -1.26 -4.93 114.94 121.05 2hj1 s ASN 11 Ca 0.00 2.74 -0.02 0.00 0.21 0.00 0.00 52.86 55.79 2hj1 s ASN 11 Cb 0.00 -2.63 -0.03 0.00 -0.55 0.00 0.00 41.25 38.04 2hj1 s ASN 11 CO 0.00 -0.71 -0.04 -1.10 -2.79 0.00 0.00 177.10 172.46 2hj1 s GLN 12 N -0.78 3.22 0.27 0.43 -1.52 -1.26 -0.83 119.66 119.19 2hj1 s GLN 12 Ca 0.57 -0.50 0.07 0.00 -1.95 0.00 0.00 55.36 53.55 2hj1 s GLN 12 Cb -0.43 -2.79 -0.06 0.00 -0.22 0.00 0.00 33.01 29.52 2hj1 s GLN 12 CO 0.47 0.48 -0.07 0.96 -0.25 0.00 0.00 175.29 176.89 2hj1 s ILE 13 N -0.30 1.62 -0.13 1.08 -4.36 -0.12 -4.86 121.20 114.13 2hj1 s ILE 13 Ca 0.05 -2.13 -0.02 0.00 -0.26 0.00 0.00 60.65 58.29 2hj1 s ILE 13 Cb -0.12 -2.39 -0.02 0.00 1.25 0.00 0.00 42.46 41.18 2hj1 s ILE 13 CO 0.02 -0.34 -0.08 0.20 0.24 0.00 0.00 174.94 174.98 2hj1 s ASN 14 N -3.42 4.45 0.17 4.36 -0.87 -1.26 -0.50 114.94 117.88 2hj1 s ASN 14 Ca 0.28 -0.19 0.05 0.00 -1.57 0.00 0.00 52.86 51.43 2hj1 s ASN 14 Cb 0.03 -1.61 -0.05 0.00 -0.02 0.00 0.00 41.25 39.60 2hj1 s ASN 14 CO 0.11 0.20 -0.08 0.27 -2.57 0.00 0.00 177.10 175.02 2hj1 s ILE 15 N 0.18 1.21 0.17 0.60 -5.25 -0.58 -4.98 121.20 112.56 2hj1 s ILE 15 Ca -0.04 -2.07 0.11 0.00 -0.99 0.00 0.00 60.65 57.65 2hj1 s ILE 15 Cb -0.14 -1.99 -0.04 0.00 2.95 0.00 0.00 42.46 43.24 2hj1 s ILE 15 CO 0.04 -0.63 -0.24 -1.61 -1.79 0.00 0.00 174.94 170.70 2hj1 s GLU 16 N -3.76 1.46 -0.05 0.37 2.02 -1.26 -0.78 118.70 116.70 2hj1 s GLU 16 Ca 0.20 -1.46 0.03 0.00 0.02 0.00 0.00 54.97 53.76 2hj1 s GLU 16 Cb 0.03 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.44 2hj1 s GLU 16 CO 0.03 0.40 -0.15 0.42 0.02 0.00 0.00 175.26 175.99 2hj1 s ILE 17 N -1.51 1.28 0.02 -1.63 1.01 0.10 -5.00 121.20 115.46 2hj1 s ILE 17 Ca 0.18 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.27 2hj1 s ILE 17 Cb -0.08 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 2hj1 s ILE 17 CO 0.08 0.38 -0.15 0.00 0.00 0.00 0.00 174.94 175.25 2hj1 s ALA 18 N 0.24 1.25 -0.25 9.38 0.00 -1.26 -1.66 121.76 129.46 2hj1 s ALA 18 Ca -0.07 -0.75 -0.14 0.00 0.00 0.00 0.00 51.96 51.00 2hj1 s ALA 18 Cb -0.12 -0.26 0.07 0.00 0.00 0.00 0.00 23.12 22.81 2hj1 s ALA 18 CO 0.03 0.28 0.61 -0.47 0.00 0.00 0.00 175.76 176.20 2hj1 s TYR 19 N -0.59 -0.94 -0.85 0.00 5.04 -0.05 -5.01 117.35 114.94 2hj1 s TYR 19 Ca 0.04 1.89 -0.12 0.00 -2.44 0.00 0.00 57.07 56.45 2hj1 s TYR 19 Cb -0.07 0.53 0.22 0.00 0.35 0.00 0.00 41.96 43.00 2hj1 s TYR 19 CO 0.00 -0.48 0.79 0.00 -1.34 0.00 0.00 175.55 174.52 2hj1 s ALA 20 N 1.60 4.14 -0.48 3.97 0.00 -1.26 -0.89 121.76 128.85 2hj1 s ALA 20 Ca -0.10 -3.42 -0.29 0.00 0.00 0.00 0.00 51.96 48.16 2hj1 s ALA 20 Cb -0.06 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.66 2hj1 s ALA 20 CO -0.18 -2.25 1.27 0.12 0.00 0.00 0.00 175.76 174.72 2hj1 s PHE 21 N -0.13 2.59 0.20 0.00 2.19 -1.21 -4.92 117.98 116.71 2hj1 s PHE 21 Ca 0.20 0.63 -0.31 0.00 0.33 0.00 0.00 56.93 57.79 2hj1 s PHE 21 Cb -0.11 -4.41 -0.10 0.00 -1.31 0.00 0.00 43.02 37.09 2hj1 s PHE 21 CO -0.08 -1.63 1.51 -1.25 1.83 0.00 0.00 175.22 175.60 2hj1 s PRO 22 N 4.81 4.23 0.00 10.12 0.04 -1.26 0.12 135.00 153.06 2hj1 s PRO 22 Ca 0.52 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.90 2hj1 s PRO 22 Cb -0.10 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2hj1 s PRO 22 CO 0.31 -0.53 0.00 0.39 0.04 0.00 0.00 177.00 177.21 2hj1 n GLU 23 N 3.22 -1.59 -3.23 4.56 1.02 -1.26 -4.94 120.64 118.43 2hj1 n GLU 23 Ca 0.11 0.40 -0.02 0.00 -0.02 0.00 0.00 57.16 57.62 2hj1 n GLU 23 Cb 0.39 -4.85 -0.03 0.00 -0.02 0.00 0.00 31.44 26.94 2hj1 n GLU 23 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2hj1 s ARG 24 N -1.76 0.57 0.43 3.49 6.06 0.32 -5.16 118.95 122.90 2hj1 s ARG 24 Ca 0.00 0.14 -0.24 0.00 -2.50 0.00 0.00 55.73 53.13 2hj1 s ARG 24 Cb 0.00 -0.04 -0.08 0.00 0.06 0.00 0.00 34.95 34.89 2hj1 s ARG 24 CO 0.00 -1.09 1.16 0.71 -2.50 0.00 0.00 175.30 173.59 2hj1 s TYR 25 N 2.43 2.98 -0.26 5.12 2.02 -1.13 -3.29 117.35 125.21 2hj1 s TYR 25 Ca 0.12 1.55 -0.10 0.00 -0.37 0.00 0.00 57.07 58.26 2hj1 s TYR 25 Cb -0.10 -3.37 -0.05 0.00 -0.40 0.00 0.00 41.96 38.04 2hj1 s TYR 25 CO -0.22 -1.38 0.16 -0.47 -1.57 0.00 0.00 175.55 172.07 2hj1 s TYR 26 N -1.50 3.21 -0.26 2.71 5.04 -0.07 -4.88 117.35 121.60 2hj1 s TYR 26 Ca 0.61 0.03 -0.02 0.00 -2.44 0.00 0.00 57.07 55.24 2hj1 s TYR 26 Cb -0.29 -2.32 0.12 0.00 0.35 0.00 0.00 41.96 39.82 2hj1 s TYR 26 CO 0.36 -0.15 0.29 -0.51 -1.34 0.00 0.00 175.55 174.20 2hj1 s LEU 27 N 1.56 -0.29 0.00 6.97 2.01 -1.26 -0.87 118.68 126.79 2hj1 s LEU 27 Ca 0.07 -0.41 0.01 0.00 0.01 0.00 0.00 54.13 53.81 2hj1 s LEU 27 Cb -0.15 0.60 -0.01 0.00 0.01 0.00 0.00 46.19 46.65 2hj1 s LEU 27 CO 0.08 -0.35 -0.04 -0.54 1.01 0.00 0.00 176.35 176.50 2hj1 s LYS 28 N 2.39 0.34 -0.08 1.70 1.02 -0.66 -4.99 119.74 119.46 2hj1 s LYS 28 Ca 0.09 -0.22 -0.01 0.00 0.02 0.00 0.00 55.97 55.85 2hj1 s LYS 28 Cb -0.15 -0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 36.84 2hj1 s LYS 28 CO -0.24 0.08 -0.00 0.45 -0.92 0.00 0.00 175.35 174.72 2hj1 s SER 29 N -0.28 5.18 0.03 2.83 0.15 -1.26 -0.72 113.70 119.63 2hj1 s SER 29 Ca -0.00 0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.81 2hj1 s SER 29 Cb -0.03 -1.44 -0.02 0.00 -1.71 0.00 0.00 66.02 62.82 2hj1 s SER 29 CO -0.00 0.37 -0.11 -0.36 1.20 0.00 0.00 173.24 174.34 2hj1 s PHE 30 N -0.89 0.98 -0.11 3.44 0.08 0.04 -4.99 117.98 116.53 2hj1 s PHE 30 Ca 0.14 -0.35 -0.20 0.00 0.12 0.00 0.00 56.93 56.64 2hj1 s PHE 30 Cb -0.11 -0.59 -0.04 0.00 -0.57 0.00 0.00 43.02 41.71 2hj1 s PHE 30 CO 0.03 0.00 0.55 -1.14 -0.10 0.00 0.00 175.22 174.56 2hj1 s GLN 31 N -1.10 4.35 0.08 0.44 0.74 -1.26 -1.52 119.66 121.39 2hj1 s GLN 31 Ca -0.01 0.58 0.01 0.00 0.05 0.00 0.00 55.36 55.99 2hj1 s GLN 31 Cb -0.08 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 30.54 2hj1 s GLN 31 CO 0.01 0.09 -0.05 0.14 -0.55 0.00 0.00 175.29 174.92 2hj1 s VAL 32 N 0.82 0.53 -0.00 1.34 -7.23 0.35 -4.97 120.40 111.23 2hj1 s VAL 32 Ca 0.29 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 58.27 2hj1 s VAL 32 Cb -0.16 -1.63 -0.06 0.00 0.56 0.00 0.00 36.38 35.09 2hj1 s VAL 32 CO 0.12 -0.91 1.59 -1.81 -0.31 0.00 0.00 175.10 173.78 2hj1 s ASP 33 N -3.00 6.69 0.20 4.85 1.01 -1.26 -0.94 116.67 124.22 2hj1 s ASP 33 Ca 0.10 2.28 -0.32 0.00 0.71 0.00 0.00 52.55 55.32 2hj1 s ASP 33 Cb 0.06 -2.55 -0.15 0.00 1.01 0.00 0.00 42.92 41.29 2hj1 s ASP 33 CO -0.06 -0.86 1.17 1.21 0.21 0.00 0.00 175.17 176.83 2hj1 n GLU 34 N 6.21 1.30 0.00 8.23 2.13 -0.01 -1.83 120.64 136.67 2hj1 n GLU 34 Ca 0.16 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.44 2hj1 n GLU 34 Cb 0.42 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.17 2hj1 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hj1 n GLY 35 N 1.92 2.98 3.70 8.31 0.00 -1.26 -4.90 105.19 115.95 2hj1 n GLY 35 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2hj1 n GLY 35 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2hj1 n ILE 36 N -1.19 2.70 -3.01 -0.61 3.06 -0.76 -5.03 119.36 114.52 2hj1 n ILE 36 Ca 0.00 -0.50 -0.20 0.00 -2.50 0.00 0.00 62.75 59.55 2hj1 n ILE 36 Cb 0.00 -1.57 0.01 0.00 0.54 0.00 0.00 39.64 38.62 2hj1 n ILE 36 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2hj1 s THR 37 N -1.22 3.34 0.19 9.51 -4.23 -1.26 -4.96 115.64 117.01 2hj1 s THR 37 Ca 0.62 -0.82 -0.18 0.00 -1.18 0.00 0.00 61.69 60.13 2hj1 s THR 37 Cb -0.49 -3.18 0.15 0.00 1.34 0.00 0.00 72.50 70.32 2hj1 s THR 37 CO 0.57 -0.09 1.61 0.58 -0.54 0.00 0.00 174.62 176.75 2hj1 h VAL 38 N 0.50 0.31 -0.72 2.29 2.07 -2.00 -1.91 116.25 116.79 2hj1 h VAL 38 Ca -0.43 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 2hj1 h VAL 38 Cb 1.27 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2hj1 h VAL 38 CO 0.51 0.00 0.20 -0.61 0.02 0.00 0.00 177.57 177.69 2hj1 h GLN 39 N -0.11 1.14 -0.47 1.57 4.15 -1.99 -1.87 115.11 117.53 2hj1 h GLN 39 Ca 0.24 -0.26 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 2hj1 h GLN 39 Cb 0.49 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 2hj1 h GLN 39 CO -0.60 0.99 0.04 1.15 -1.93 0.00 0.00 178.83 178.47 2hj1 h THR 40 N 1.08 1.26 -0.27 2.39 2.02 -1.85 -0.06 112.91 117.48 2hj1 h THR 40 Ca 0.23 -0.99 0.03 0.00 0.77 0.00 0.00 66.41 66.44 2hj1 h THR 40 Cb 0.34 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 2hj1 h THR 40 CO -0.00 0.35 0.10 0.00 0.37 0.00 0.00 175.52 176.33 2hj1 h ALA 41 N 0.93 0.31 0.21 6.16 0.00 -1.17 -0.28 119.26 125.43 2hj1 h ALA 41 Ca 0.14 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2hj1 h ALA 41 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2hj1 h ALA 41 CO 0.02 -0.31 -0.10 0.82 0.00 0.00 0.00 179.25 179.68 2hj1 h ILE 42 N 0.23 0.82 -0.08 0.00 2.04 -1.15 -1.92 117.51 117.45 2hj1 h ILE 42 Ca 0.12 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 2hj1 h ILE 42 Cb 0.08 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2hj1 h ILE 42 CO -0.11 0.03 -0.30 0.71 0.00 0.00 0.00 178.15 178.49 2hj1 h THR 43 N -0.36 1.24 0.00 -0.27 1.35 -0.86 -2.81 112.91 111.20 2hj1 h THR 43 Ca -0.03 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 2hj1 h THR 43 Cb 0.27 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2hj1 h THR 43 CO 0.05 0.34 -0.20 0.00 -0.25 0.00 0.00 175.52 175.46 2hj1 n GLN 44 N -4.14 0.14 0.09 4.72 1.13 -0.13 -4.10 117.38 115.09 2hj1 n GLN 44 Ca -0.01 0.09 -0.04 0.00 -1.94 0.00 0.00 57.00 55.09 2hj1 n GLN 44 Cb 0.38 -1.64 0.14 0.00 0.11 0.00 0.00 30.24 29.23 2hj1 n GLN 44 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2hj1 h SER 45 N 0.00 0.25 0.00 1.08 4.64 -1.07 -3.47 113.55 114.98 2hj1 h SER 45 Ca 0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2hj1 h SER 45 Cb 0.63 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2hj1 h SER 45 CO 0.00 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 2hj1 n GLY 46 N 0.20 0.18 0.33 -0.77 0.00 -1.26 -4.96 105.19 98.92 2hj1 n GLY 46 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 2hj1 n GLY 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2hj1 h ILE 47 N 0.00 0.99 0.00 -0.61 2.10 -1.89 -1.18 117.51 116.92 2hj1 h ILE 47 Ca 0.00 -0.16 -0.09 0.00 1.08 0.00 0.00 64.86 65.69 2hj1 h ILE 47 Cb 0.00 0.48 -0.01 0.00 -1.09 0.00 0.00 36.82 36.20 2hj1 h ILE 47 CO 0.00 0.09 -0.42 -0.07 -1.08 0.00 0.00 178.15 176.67 2hj1 h LEU 48 N 0.47 0.00 -0.26 2.19 3.38 -1.82 0.45 115.31 119.72 2hj1 h LEU 48 Ca 0.21 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.99 2hj1 h LEU 48 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2hj1 h LEU 48 CO -0.06 0.42 -0.63 0.28 0.09 0.00 0.00 178.44 178.54 2hj1 h SER 49 N 0.00 0.96 -0.22 -0.43 0.02 -1.64 -3.14 113.55 109.10 2hj1 h SER 49 Ca -0.00 -0.55 -0.15 0.00 -0.84 0.00 0.00 61.79 60.24 2hj1 h SER 49 Cb 0.89 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2hj1 h SER 49 CO 0.05 1.35 -0.41 -0.61 -1.14 0.00 0.00 176.83 176.07 2hj1 h GLN 50 N 0.62 0.77 -3.03 3.45 4.15 -1.09 -3.37 115.11 116.60 2hj1 h GLN 50 Ca -0.01 -0.41 -0.62 0.00 0.77 0.00 0.00 58.65 58.38 2hj1 h GLN 50 Cb 1.24 0.02 -0.41 0.00 0.21 0.00 0.00 27.48 28.54 2hj1 h GLN 50 CO 0.14 1.03 -0.66 -0.06 -1.93 0.00 0.00 178.83 177.35 2hj1 s PHE 51 N -4.29 2.95 -1.02 3.99 0.08 0.12 -4.95 117.98 114.85 2hj1 s PHE 51 Ca -0.09 -3.05 0.14 0.00 0.12 0.00 0.00 56.93 54.04 2hj1 s PHE 51 Cb 0.12 -2.38 0.59 0.00 -0.57 0.00 0.00 43.02 40.77 2hj1 s PHE 51 CO 0.86 -0.65 1.43 -0.35 -0.10 0.00 0.00 175.22 176.41 2hj1 n PRO 52 N 2.52 0.01 0.11 0.24 -0.04 -1.19 -1.77 135.00 134.89 2hj1 n PRO 52 Ca 0.17 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 64.00 2hj1 n PRO 52 Cb 0.36 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.78 2hj1 n PRO 52 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2hj1 n GLU 53 N -1.49 0.17 -2.24 0.54 0.00 -1.26 -4.75 120.64 111.61 2hj1 n GLU 53 Ca 0.03 0.39 -0.42 0.00 0.00 0.00 0.00 57.16 57.16 2hj1 n GLU 53 Cb 0.16 -1.81 -0.03 0.00 0.00 0.00 0.00 31.44 29.75 2hj1 n GLU 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2hj1 s ILE 54 N -3.26 3.57 -0.30 3.84 1.01 -0.73 -4.99 121.20 120.34 2hj1 s ILE 54 Ca 0.05 1.09 0.03 0.00 0.00 0.00 0.00 60.65 61.82 2hj1 s ILE 54 Cb 0.09 -3.70 0.08 0.00 0.01 0.00 0.00 42.46 38.95 2hj1 s ILE 54 CO 0.38 0.06 -0.02 -0.62 0.00 0.00 0.00 174.94 174.74 2hj1 s ASP 55 N 1.32 4.61 0.59 3.58 -1.08 -1.26 -4.99 116.67 119.44 2hj1 s ASP 55 Ca 0.63 -1.82 0.39 0.00 -0.52 0.00 0.00 52.55 51.24 2hj1 s ASP 55 Cb -0.34 -1.58 2.00 0.00 -1.46 0.00 0.00 42.92 41.54 2hj1 s ASP 55 CO 0.29 -0.30 2.19 -0.07 0.52 0.00 0.00 175.17 177.80 2hj1 h LEU 56 N 7.69 0.00 -0.97 -1.34 3.38 -1.94 0.33 115.31 122.46 2hj1 h LEU 56 Ca -0.11 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 2hj1 h LEU 56 Cb 1.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2hj1 h LEU 56 CO 0.49 0.00 -0.52 0.77 0.09 0.00 0.00 178.44 179.28 2hj1 h SER 57 N 0.00 0.00 0.00 -0.43 4.64 -2.03 -3.38 113.55 112.35 2hj1 h SER 57 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hj1 h SER 57 Cb 0.15 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2hj1 h SER 57 CO 0.00 0.52 -0.67 0.35 -0.87 0.00 0.00 176.83 176.16 2hj1 n THR 58 N -3.93 0.00 -1.67 2.95 -2.24 -1.04 -5.08 114.28 103.28 2hj1 n THR 58 Ca -0.01 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 2hj1 n THR 58 Cb 0.53 0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 69.02 2hj1 n THR 58 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2hj1 n ASN 59 N -1.04 2.40 -4.74 3.42 5.03 0.11 -4.95 115.26 115.50 2hj1 n ASN 59 Ca 0.00 1.20 -0.41 0.00 0.87 0.00 0.00 54.58 56.24 2hj1 n ASN 59 Cb 0.02 -1.43 -0.05 0.00 -1.02 0.00 0.00 39.78 37.30 2hj1 n ASN 59 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2hj1 s LYS 60 N -1.76 4.69 -0.05 3.52 1.02 -1.26 -4.95 119.74 120.95 2hj1 s LYS 60 Ca 0.56 1.54 -0.00 0.00 0.02 0.00 0.00 55.97 58.09 2hj1 s LYS 60 Cb -0.60 -3.33 0.03 0.00 -0.52 0.00 0.00 37.83 33.40 2hj1 s LYS 60 CO 0.61 0.23 -0.01 0.42 -0.92 0.00 0.00 175.35 175.68 2hj1 s ILE 61 N -0.28 0.33 0.49 2.17 1.01 -1.26 -5.16 121.20 118.50 2hj1 s ILE 61 Ca 0.47 0.06 0.05 0.00 0.00 0.00 0.00 60.65 61.23 2hj1 s ILE 61 Cb -0.26 -0.44 -0.01 0.00 0.01 0.00 0.00 42.46 41.76 2hj1 s ILE 61 CO 0.32 0.21 0.19 -0.83 0.00 0.00 0.00 174.94 174.83 2hj1 s GLY 62 N 1.42 2.58 -0.05 6.18 0.00 -1.26 -5.15 107.32 111.04 2hj1 s GLY 62 Ca -0.04 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.41 2hj1 s GLY 62 CO -0.03 -2.02 -0.04 -0.42 0.00 0.00 0.00 173.10 170.59 2hj1 s ILE 63 N -2.75 0.55 -0.27 0.90 1.01 -1.26 -5.10 121.20 114.27 2hj1 s ILE 63 Ca 0.27 -0.11 -0.14 0.00 0.00 0.00 0.00 60.65 60.67 2hj1 s ILE 63 Cb 0.01 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 2hj1 s ILE 63 CO 0.16 0.24 0.35 0.12 0.00 0.00 0.00 174.94 175.81 2hj1 s PHE 64 N 1.06 3.24 -0.15 3.97 5.36 -1.26 -5.08 117.98 125.13 2hj1 s PHE 64 Ca -0.09 0.38 -0.03 0.00 -0.96 0.00 0.00 56.93 56.23 2hj1 s PHE 64 Cb -0.14 -2.55 -0.03 0.00 -0.34 0.00 0.00 43.02 39.96 2hj1 s PHE 64 CO -0.01 -0.22 -0.04 -1.12 -1.46 0.00 0.00 175.22 172.37 2hj1 s SER 65 N 1.65 4.80 -0.29 6.13 0.01 -1.26 -5.06 113.70 119.68 2hj1 s SER 65 Ca 0.14 -0.11 -0.21 0.00 1.31 0.00 0.00 55.95 57.08 2hj1 s SER 65 Cb -0.16 -1.74 0.15 0.00 0.21 0.00 0.00 66.02 64.49 2hj1 s SER 65 CO 0.10 0.19 1.10 -0.60 0.41 0.00 0.00 173.24 174.44 2hj1 s ARG 66 N 0.24 0.35 0.80 12.44 3.52 -1.26 -4.69 118.95 130.35 2hj1 s ARG 66 Ca -0.03 0.49 -0.12 0.00 -0.13 0.00 0.00 55.73 55.94 2hj1 s ARG 66 Cb -0.14 0.13 0.07 0.00 -1.56 0.00 0.00 34.95 33.45 2hj1 s ARG 66 CO 0.03 -0.05 1.10 -1.25 -0.81 0.00 0.00 175.30 174.32 2hj1 s PRO 67 N 0.66 2.08 0.28 5.12 0.04 -1.26 -5.19 135.00 136.72 2hj1 s PRO 67 Ca -0.01 0.57 0.04 0.00 0.04 0.00 0.00 61.00 61.63 2hj1 s PRO 67 Cb -0.04 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 2hj1 s PRO 67 CO -0.11 -1.61 0.03 0.96 0.04 0.00 0.00 177.00 176.31 2hj1 s ILE 68 N -3.20 1.10 -0.00 0.56 -4.36 -1.26 -5.13 121.20 108.90 2hj1 s ILE 68 Ca 0.61 -2.03 -0.17 0.00 -0.26 0.00 0.00 60.65 58.80 2hj1 s ILE 68 Cb -0.14 -2.57 -0.06 0.00 1.25 0.00 0.00 42.46 40.94 2hj1 s ILE 68 CO 0.54 -0.15 0.47 -0.54 0.24 0.00 0.00 174.94 175.50 2hj1 s LYS 69 N -3.88 4.10 0.00 0.37 1.02 -1.26 -4.95 119.74 115.13 2hj1 s LYS 69 Ca 0.33 0.52 0.12 0.00 0.02 0.00 0.00 55.97 56.96 2hj1 s LYS 69 Cb 0.07 -3.27 0.57 0.00 -0.52 0.00 0.00 37.83 34.67 2hj1 s LYS 69 CO 0.12 0.56 1.29 1.28 -0.92 0.00 0.00 175.35 177.68 2hj1 n LEU 70 N 2.19 0.00 -0.06 3.17 4.77 -1.26 -1.89 117.00 123.92 2hj1 n LEU 70 Ca -0.11 0.32 0.13 0.00 -0.03 0.00 0.00 56.01 56.32 2hj1 n LEU 70 Cb 0.52 -0.32 0.41 0.00 -2.33 0.00 0.00 43.42 41.70 2hj1 n LEU 70 CO 0.40 -0.20 0.67 0.35 -1.33 0.00 0.00 177.39 177.28 2hj1 n THR 71 N -1.32 0.00 -1.70 -5.08 -2.24 -1.26 -4.94 114.28 97.74 2hj1 n THR 71 Ca 0.05 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 2hj1 n THR 71 Cb 0.10 0.05 0.01 0.00 -2.10 0.00 0.00 70.33 68.40 2hj1 n THR 71 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2hj1 n ASP 72 N -1.27 2.55 -4.73 3.42 8.00 -0.79 -4.97 116.55 118.76 2hj1 n ASP 72 Ca 0.09 1.10 -0.40 0.00 0.71 0.00 0.00 54.79 56.28 2hj1 n ASP 72 Cb 0.33 -1.51 -0.05 0.00 -0.02 0.00 0.00 41.12 39.87 2hj1 n ASP 72 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2hj1 s VAL 73 N -1.21 4.84 0.55 2.53 1.01 -1.26 -5.05 120.40 121.81 2hj1 s VAL 73 Ca 0.62 1.63 -0.15 0.00 0.00 0.00 0.00 61.98 64.07 2hj1 s VAL 73 Cb -0.50 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 31.70 2hj1 s VAL 73 CO 0.57 0.31 1.01 -0.76 0.00 0.00 0.00 175.10 176.23 2hj1 s LEU 74 N 0.31 3.53 0.25 3.92 1.43 -1.26 -5.09 118.68 121.77 2hj1 s LEU 74 Ca 0.40 1.60 0.08 0.00 -1.03 0.00 0.00 54.13 55.19 2hj1 s LEU 74 Cb -0.20 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.46 2hj1 s LEU 74 CO 0.22 -0.78 -0.13 -0.54 0.23 0.00 0.00 176.35 175.36 2hj1 s LYS 75 N -4.25 1.50 -0.06 1.70 1.02 -1.26 -5.07 119.74 113.31 2hj1 s LYS 75 Ca 0.59 -1.71 -0.39 0.00 0.02 0.00 0.00 55.97 54.49 2hj1 s LYS 75 Cb -0.11 -1.29 -0.18 0.00 -0.52 0.00 0.00 37.83 35.73 2hj1 s LYS 75 CO 0.36 0.16 1.39 -1.91 -0.92 0.00 0.00 175.35 174.43 2hj1 n GLU 76 N -0.51 0.79 -0.58 1.68 4.07 -1.26 -1.57 120.64 123.26 2hj1 n GLU 76 Ca -0.06 0.29 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 2hj1 n GLU 76 Cb 0.61 -1.89 0.00 0.00 -0.06 0.00 0.00 31.44 30.10 2hj1 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2hj1 n GLY 77 N 2.76 1.33 3.77 8.31 0.00 -1.26 -5.02 105.19 115.09 2hj1 n GLY 77 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 2hj1 n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hj1 s ASP 78 N -3.17 6.41 -0.11 1.61 1.01 -0.61 -5.02 116.67 116.78 2hj1 s ASP 78 Ca 0.00 2.83 0.03 0.00 0.71 0.00 0.00 52.55 56.12 2hj1 s ASP 78 Cb 0.00 -2.65 -0.00 0.00 1.01 0.00 0.00 42.92 41.28 2hj1 s ASP 78 CO 0.00 -0.80 -0.22 -0.60 0.21 0.00 0.00 175.17 173.76 2hj1 s ARG 79 N -2.08 3.09 -0.22 8.23 3.52 -1.26 -5.01 118.95 125.22 2hj1 s ARG 79 Ca 0.54 -0.85 -0.19 0.00 -0.13 0.00 0.00 55.73 55.09 2hj1 s ARG 79 Cb -0.42 -2.37 -0.03 0.00 -1.56 0.00 0.00 34.95 30.57 2hj1 s ARG 79 CO 0.56 0.15 0.57 0.42 -0.81 0.00 0.00 175.30 176.19 2hj1 s ILE 80 N 0.42 5.05 -0.18 4.11 1.01 -1.26 -5.05 121.20 125.29 2hj1 s ILE 80 Ca -0.16 1.04 -0.04 0.00 0.00 0.00 0.00 60.65 61.49 2hj1 s ILE 80 Cb -0.17 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 2hj1 s ILE 80 CO 0.07 0.11 -0.02 -1.61 0.00 0.00 0.00 174.94 173.48 2hj1 s GLU 81 N 2.04 3.59 -0.10 2.79 0.41 -1.26 -5.09 118.70 121.08 2hj1 s GLU 81 Ca 0.25 -0.54 0.01 0.00 -0.41 0.00 0.00 54.97 54.28 2hj1 s GLU 81 Cb -0.16 -2.99 -0.02 0.00 -1.78 0.00 0.00 34.13 29.19 2hj1 s GLU 81 CO 0.09 0.07 -0.15 0.42 -0.49 0.00 0.00 175.26 175.20 2hj1 s ILE 82 N 0.82 2.92 0.36 -1.63 1.01 -1.26 -5.10 121.20 118.31 2hj1 s ILE 82 Ca -0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 2hj1 s ILE 82 Cb -0.14 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.16 2hj1 s ILE 82 CO 0.02 0.55 0.62 -0.72 0.00 0.00 0.00 174.94 175.40 2hj1 s TYR 83 N 0.07 0.62 -0.15 3.97 1.13 -1.26 -5.16 117.35 116.57 2hj1 s TYR 83 Ca -0.06 -1.05 -0.07 0.00 -1.41 0.00 0.00 57.07 54.48 2hj1 s TYR 83 Cb -0.15 0.34 -0.04 0.00 -1.10 0.00 0.00 41.96 41.02 2hj1 s TYR 83 CO 0.05 -1.33 0.08 1.03 -2.51 0.00 0.00 175.55 172.87 2hj1 s ARG 84 N -2.73 3.70 0.50 -3.49 0.52 -1.26 -5.01 118.95 111.18 2hj1 s ARG 84 Ca 0.23 -0.27 0.28 0.00 -0.52 0.00 0.00 55.73 55.45 2hj1 s ARG 84 Cb -0.03 -3.17 1.26 0.00 0.52 0.00 0.00 34.95 33.53 2hj1 s ARG 84 CO 0.16 0.49 1.96 -1.00 0.02 0.00 0.00 175.30 176.93 2hj1 h PRO 85 N 5.95 0.00 -6.51 3.54 0.13 -2.06 -3.45 132.00 129.59 2hj1 h PRO 85 Ca -0.45 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.05 2hj1 h PRO 85 Cb 1.19 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.08 2hj1 h PRO 85 CO 0.65 0.13 -0.85 -0.51 -0.23 0.00 0.00 178.00 177.19 2hj1 s LEU 86 N -6.76 2.27 -0.07 1.56 1.02 -1.26 -5.14 118.68 110.31 2hj1 s LEU 86 Ca -0.01 -0.67 -0.04 0.00 0.02 0.00 0.00 54.13 53.43 2hj1 s LEU 86 Cb 0.11 -1.08 -0.04 0.00 0.02 0.00 0.00 46.19 45.20 2hj1 s LEU 86 CO 0.59 0.15 0.14 -0.76 0.02 0.00 0.00 176.35 176.49 2hj1 s LEU 87 N -1.77 4.28 0.00 1.79 1.02 -1.26 -5.11 118.68 117.63 2hj1 s LEU 87 Ca 0.10 0.37 0.00 0.00 0.02 0.00 0.00 54.13 54.62 2hj1 s LEU 87 Cb -0.10 -2.27 0.00 0.00 0.02 0.00 0.00 46.19 43.85 2hj1 s LEU 87 CO 0.04 0.34 0.00 0.00 0.02 0.00 0.00 176.35 176.75 2hj1 n ALA 88 N 1.54 0.00 1.46 4.21 0.00 -1.26 -5.28 120.51 121.18 2hj1 n ALA 88 Ca -0.16 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.42 2hj1 n ALA 88 Cb 0.54 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.48 2hj1 n ALA 88 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10