#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgj n ILE 2 N 0.00 0.00 0.00 3.17 -5.35 -1.25 -3.83 119.36 112.10 2hgj n ILE 2 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2hgj n ILE 2 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2hgj n ILE 2 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2hgj n GLN 3 N 0.00 0.00 0.00 6.28 -0.00 -1.26 -4.72 117.38 117.68 2hgj n GLN 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2hgj n GLN 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 2hgj n GLN 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2hgj n PRO 4 N -1.56 0.00 -1.53 2.61 -0.04 -1.26 -1.22 135.00 132.00 2hgj n PRO 4 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 2hgj n PRO 4 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 2hgj n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2hgj n GLN 5 N 0.00 1.30 -3.86 0.54 7.27 -1.14 -4.08 117.38 117.41 2hgj n GLN 5 Ca 0.00 0.26 -0.11 0.00 0.07 0.00 0.00 57.00 57.22 2hgj n GLN 5 Cb 0.00 -2.97 -0.10 0.00 2.41 0.00 0.00 30.24 29.59 2hgj n GLN 5 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2hgj s THR 6 N 9.31 0.08 -0.45 1.69 2.01 0.11 -4.87 115.64 123.52 2hgj s THR 6 Ca 1.05 -0.68 -0.15 0.00 0.31 0.00 0.00 61.69 62.22 2hgj s THR 6 Cb -0.50 -0.50 0.06 0.00 0.01 0.00 0.00 72.50 71.58 2hgj s THR 6 CO 0.37 -0.38 0.36 -0.31 -0.69 0.00 0.00 174.62 173.97 2hgj s TYR 7 N -1.48 3.25 -0.06 4.92 1.51 -1.21 -0.65 117.35 123.63 2hgj s TYR 7 Ca -0.14 -0.90 -0.16 0.00 -1.01 0.00 0.00 57.07 54.86 2hgj s TYR 7 Cb -0.07 -3.00 0.03 0.00 -0.11 0.00 0.00 41.96 38.82 2hgj s TYR 7 CO 0.02 -0.75 0.37 -0.48 -1.11 0.00 0.00 175.55 173.60 2hgj s LEU 8 N 1.63 0.60 0.98 -1.29 0.05 -0.47 -4.96 118.68 115.22 2hgj s LEU 8 Ca 0.04 0.39 -0.15 0.00 0.05 0.00 0.00 54.13 54.46 2hgj s LEU 8 Cb -0.23 1.40 0.18 0.00 -2.05 0.00 0.00 46.19 45.50 2hgj s LEU 8 CO 0.07 -0.35 1.19 -1.61 -0.55 0.00 0.00 176.35 175.10 2hgj s GLU 9 N -0.78 0.52 0.14 1.48 0.41 0.27 -2.75 118.70 117.99 2hgj s GLU 9 Ca -0.09 -0.00 0.00 0.00 -0.41 0.00 0.00 54.97 54.47 2hgj s GLU 9 Cb -0.04 -1.79 0.00 0.00 -1.78 0.00 0.00 34.13 30.52 2hgj s GLU 9 CO 0.03 -2.56 0.00 1.55 -0.49 0.00 0.00 175.26 173.80 2hgj n VAL 10 N -3.96 0.00 0.00 2.63 3.14 0.46 -0.96 118.33 119.65 2hgj n VAL 10 Ca 0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 2hgj n VAL 10 Cb 0.59 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 33.21 2hgj n VAL 10 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2hgj n ALA 11 N -2.90 0.00 -1.00 1.55 0.00 -1.26 -4.61 120.51 112.29 2hgj n ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgj n ALA 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgj n ALA 11 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2hgj n ASP 12 N 0.00 0.00 0.23 0.00 8.00 -1.26 -4.57 116.55 118.95 2hgj n ASP 12 Ca 0.00 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.66 2hgj n ASP 12 Cb 0.00 0.00 0.74 0.00 -0.02 0.00 0.00 41.12 41.84 2hgj n ASP 12 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 2hgj h ASN 13 N 0.00 0.00 0.00 -2.24 -0.73 -1.89 -3.47 115.58 107.26 2hgj h ASN 13 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2hgj h ASN 13 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 2hgj h ASN 13 CO 0.00 0.00 0.00 1.07 -0.37 0.00 0.00 177.43 178.13 2hgj n THR 14 N -2.73 0.00 0.61 -3.57 5.66 -1.26 -4.70 114.28 108.30 2hgj n THR 14 Ca -0.00 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.07 2hgj n THR 14 Cb 0.19 0.00 0.35 0.00 -1.55 0.00 0.00 70.33 69.32 2hgj n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2hgj n GLY 15 N 0.00 -0.94 3.15 1.09 0.00 -1.26 -4.35 105.19 102.88 2hgj n GLY 15 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.01 2hgj n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgj s ALA 16 N -2.83 -2.84 -0.76 4.61 0.00 -1.26 -0.06 121.76 118.62 2hgj s ALA 16 Ca 0.10 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.66 2hgj s ALA 16 Cb 0.10 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.85 2hgj s ALA 16 CO 0.26 -1.47 0.01 -2.13 0.00 0.00 0.00 175.76 172.44 2hgj n ARG 17 N 5.43 0.00 -3.87 0.00 0.63 -1.26 -4.36 116.66 113.23 2hgj n ARG 17 Ca -0.02 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.78 2hgj n ARG 17 Cb 0.53 -1.03 -0.14 0.00 0.45 0.00 0.00 32.46 32.27 2hgj n ARG 17 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2hgj s LYS 18 N -0.80 0.01 0.13 -0.14 2.20 -1.26 0.17 119.74 120.06 2hgj s LYS 18 Ca 0.00 0.01 0.03 0.00 -0.36 0.00 0.00 55.97 55.65 2hgj s LYS 18 Cb 0.00 -0.03 -0.01 0.00 -1.51 0.00 0.00 37.83 36.28 2hgj s LYS 18 CO 0.00 -0.01 0.11 0.44 -0.36 0.00 0.00 175.35 175.53 2hgj n ILE 19 N 3.15 0.00 -3.90 5.43 -6.64 -1.11 -0.94 119.36 115.35 2hgj n ILE 19 Ca -0.13 -0.97 -0.25 0.00 -1.77 0.00 0.00 62.75 59.63 2hgj n ILE 19 Cb 0.59 0.47 -0.17 0.00 -1.44 0.00 0.00 39.64 39.09 2hgj n ILE 19 CO 0.00 0.00 0.00 -0.32 -1.77 0.00 0.00 176.55 174.46 2hgj s MET 20 N -2.55 1.15 -0.01 6.28 -2.45 0.12 -1.37 119.30 120.47 2hgj s MET 20 Ca 0.15 -0.12 -0.07 0.00 -1.25 0.00 0.00 55.69 54.40 2hgj s MET 20 Cb 0.01 -1.30 -0.05 0.00 1.25 0.00 0.00 34.83 34.74 2hgj s MET 20 CO 0.11 -0.26 0.26 0.00 1.05 0.00 0.00 175.02 176.18 2hgj n ILE 22 N 1.32 0.00 -4.33 0.00 5.41 0.40 -0.71 119.36 121.45 2hgj n ILE 22 Ca -0.13 0.09 -0.17 0.00 1.00 0.00 0.00 62.75 63.55 2hgj n ILE 22 Cb 0.53 -0.23 -0.10 0.00 -0.71 0.00 0.00 39.64 39.13 2hgj n ILE 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2hgj s ARG 23 N -0.05 1.34 0.30 0.38 1.04 -1.25 -2.86 118.95 117.85 2hgj s ARG 23 Ca 0.00 -1.68 -0.29 0.00 -1.04 0.00 0.00 55.73 52.71 2hgj s ARG 23 Cb 0.00 -0.58 -0.10 0.00 -2.04 0.00 0.00 34.95 32.23 2hgj s ARG 23 CO 0.00 -0.12 1.42 0.14 -0.04 0.00 0.00 175.30 176.70 2hgj s VAL 24 N -3.46 2.51 0.04 4.99 -7.23 -1.26 -1.25 120.40 114.75 2hgj s VAL 24 Ca 0.29 0.47 -0.28 0.00 -1.81 0.00 0.00 61.98 60.65 2hgj s VAL 24 Cb 0.06 -3.30 -0.17 0.00 0.56 0.00 0.00 36.38 33.53 2hgj s VAL 24 CO 0.09 0.09 1.45 0.17 -0.31 0.00 0.00 175.10 176.59 2hgj h LEU 25 N 4.17 -0.49 0.00 1.32 -0.00 -1.30 -3.42 115.31 115.59 2hgj h LEU 25 Ca -0.48 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.34 2hgj h LEU 25 Cb 1.22 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 42.01 2hgj h LEU 25 CO 0.72 -0.23 0.00 2.29 -0.00 0.00 0.00 178.44 181.22 2hgj n LYS 26 N -5.27 0.09 -1.47 0.17 2.85 -1.26 -4.53 118.16 108.73 2hgj n LYS 26 Ca -0.11 0.00 -0.47 0.00 -1.05 0.00 0.00 58.31 56.68 2hgj n LYS 26 Cb 0.28 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.59 2hgj n LYS 26 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2hgj n GLY 27 N 0.00 0.35 0.00 2.58 0.00 -1.26 -4.64 105.19 102.22 2hgj n GLY 27 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 46.02 46.93 2hgj n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hgj n SER 28 N 10.98 0.00 0.00 1.61 3.41 -1.26 -3.87 113.62 124.49 2hgj n SER 28 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 2hgj n SER 28 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 2hgj n SER 28 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2hgj n ASN 29 N 0.00 0.00 0.00 4.04 3.02 -1.26 -5.12 115.26 115.94 2hgj n ASN 29 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2hgj n ASN 29 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2hgj n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hgj n ALA 30 N 0.00 0.00 0.00 5.41 0.00 -1.25 -4.79 120.51 119.88 2hgj n ALA 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgj n ALA 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgj n ALA 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2hgj n LYS 31 N 0.00 0.00 -3.16 0.00 5.02 -1.26 -4.90 118.16 113.85 2hgj n LYS 31 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 2hgj n LYS 31 Cb 0.00 -2.22 -0.00 0.00 -0.02 0.00 0.00 35.03 32.79 2hgj n LYS 31 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2hgj s TYR 32 N -2.42 -1.81 -0.98 2.13 2.02 -1.26 -4.52 117.35 110.51 2hgj s TYR 32 Ca 0.00 0.88 -0.26 0.00 -0.37 0.00 0.00 57.07 57.32 2hgj s TYR 32 Cb 0.00 0.32 -0.18 0.00 -0.40 0.00 0.00 41.96 41.69 2hgj s TYR 32 CO 0.00 -1.09 2.20 0.00 -1.57 0.00 0.00 175.55 175.09 2hgj s ALA 33 N 2.60 0.63 0.49 3.71 0.00 -0.36 -4.72 121.76 124.12 2hgj s ALA 33 Ca 0.12 -1.28 -0.21 0.00 0.00 0.00 0.00 51.96 50.60 2hgj s ALA 33 Cb -0.08 -4.65 -0.08 0.00 0.00 0.00 0.00 23.12 18.31 2hgj s ALA 33 CO -0.21 -6.45 1.08 0.99 0.00 0.00 0.00 175.76 171.16 2hgj s THR 34 N 15.82 3.52 0.44 0.00 2.01 -1.26 -3.82 115.64 132.35 2hgj s THR 34 Ca 0.84 0.98 -0.24 0.00 0.31 0.00 0.00 61.69 63.58 2hgj s THR 34 Cb -0.08 -3.42 -0.09 0.00 0.01 0.00 0.00 72.50 68.92 2hgj s THR 34 CO 0.14 -0.17 1.17 0.52 -0.69 0.00 0.00 174.62 175.59 2hgj n VAL 35 N -0.95 2.67 -1.85 3.82 0.31 -1.25 -0.83 118.33 120.26 2hgj n VAL 35 Ca 0.09 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.74 2hgj n VAL 35 Cb 0.51 -1.41 -0.06 0.00 -0.91 0.00 0.00 33.84 31.97 2hgj n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hgj n GLY 36 N 0.96 0.99 0.00 2.92 0.00 0.03 -4.94 105.19 105.14 2hgj n GLY 36 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2hgj n GLY 36 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hgj n ASP 37 N -1.44 0.00 -3.64 1.61 -0.08 -0.01 -4.78 116.55 108.21 2hgj n ASP 37 Ca -0.20 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 52.92 2hgj n ASP 37 Cb 0.64 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 44.03 2hgj n ASP 37 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2hgj s VAL 38 N 2.88 0.03 0.34 5.18 -7.23 -1.26 -0.59 120.40 119.74 2hgj s VAL 38 Ca 0.00 -0.25 -0.08 0.00 -1.81 0.00 0.00 61.98 59.84 2hgj s VAL 38 Cb 0.00 -0.82 0.02 0.00 0.56 0.00 0.00 36.38 36.13 2hgj s VAL 38 CO 0.00 -0.14 0.57 0.27 -0.31 0.00 0.00 175.10 175.49 2hgj s ILE 39 N -1.40 0.00 -0.24 -0.62 -0.00 0.40 -0.81 121.20 118.53 2hgj s ILE 39 Ca -0.12 -1.39 -0.10 0.00 -0.00 0.00 0.00 60.65 59.04 2hgj s ILE 39 Cb -0.02 -2.63 -0.05 0.00 -0.00 0.00 0.00 42.46 39.76 2hgj s ILE 39 CO 0.06 0.00 0.15 0.54 -0.00 0.00 0.00 174.94 175.69 2hgj s VAL 40 N -3.01 5.23 0.05 8.37 0.11 -0.38 -1.18 120.40 129.58 2hgj s VAL 40 Ca 0.25 0.13 -0.22 0.00 -2.93 0.00 0.00 61.98 59.21 2hgj s VAL 40 Cb -0.02 -3.43 0.07 0.00 -1.53 0.00 0.00 36.38 31.47 2hgj s VAL 40 CO 0.16 0.35 1.00 0.00 -3.33 0.00 0.00 175.10 173.28 2hgj n ALA 41 N 4.30 -2.76 -2.56 1.54 0.00 -0.48 -0.46 120.51 120.10 2hgj n ALA 41 Ca -0.15 -0.76 -0.26 0.00 0.00 0.00 0.00 53.44 52.27 2hgj n ALA 41 Cb 0.52 0.27 -0.10 0.00 0.00 0.00 0.00 19.45 20.14 2hgj n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2hgj s SER 42 N -3.28 3.90 0.35 0.00 0.15 -0.04 -0.73 113.70 114.05 2hgj s SER 42 Ca 0.23 -1.20 -0.09 0.00 0.70 0.00 0.00 55.95 55.60 2hgj s SER 42 Cb -0.01 -0.40 -0.06 0.00 -1.71 0.00 0.00 66.02 63.83 2hgj s SER 42 CO 0.02 -0.30 0.68 0.54 1.20 0.00 0.00 173.24 175.38 2hgj s VAL 43 N -2.62 4.87 -0.01 4.45 0.11 -0.35 -0.70 120.40 126.16 2hgj s VAL 43 Ca 0.34 0.42 0.00 0.00 -2.93 0.00 0.00 61.98 59.81 2hgj s VAL 43 Cb 0.04 -3.72 -0.01 0.00 -1.53 0.00 0.00 36.38 31.16 2hgj s VAL 43 CO 0.18 -0.42 -0.00 1.17 -3.33 0.00 0.00 175.10 172.70 2hgj n LYS 44 N -1.09 2.00 -3.36 1.54 4.81 -0.33 -4.69 118.16 117.03 2hgj n LYS 44 Ca 0.01 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.22 2hgj n LYS 44 Cb 0.54 -1.02 -0.01 0.00 0.02 0.00 0.00 35.03 34.56 2hgj n LYS 44 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2hgj s GLU 45 N -2.02 3.38 0.20 1.64 2.02 -0.11 -5.00 118.70 118.80 2hgj s GLU 45 Ca -0.01 -0.44 -0.27 0.00 0.02 0.00 0.00 54.97 54.27 2hgj s GLU 45 Cb 0.00 -2.67 -0.08 0.00 0.10 0.00 0.00 34.13 31.48 2hgj s GLU 45 CO 0.03 0.09 0.83 0.00 0.02 0.00 0.00 175.26 176.23 2hgj s ALA 46 N -2.32 3.41 -0.55 5.21 0.00 -1.26 -4.32 121.76 121.93 2hgj s ALA 46 Ca 0.41 0.44 -0.05 0.00 0.00 0.00 0.00 51.96 52.76 2hgj s ALA 46 Cb -0.10 -3.04 0.14 0.00 0.00 0.00 0.00 23.12 20.13 2hgj s ALA 46 CO 0.35 0.26 0.38 -1.50 0.00 0.00 0.00 175.76 175.26 2hgj s ILE 47 N -1.18 3.88 0.69 0.00 2.07 0.92 -4.08 121.20 123.50 2hgj s ILE 47 Ca 0.38 -2.41 -0.17 0.00 -1.41 0.00 0.00 60.65 57.05 2hgj s ILE 47 Cb -0.24 -3.55 -0.01 0.00 0.13 0.00 0.00 42.46 38.79 2hgj s ILE 47 CO 0.28 -0.82 0.96 -0.81 -1.91 0.00 0.00 174.94 172.64 2hgj n PRO 48 N 4.15 0.62 0.00 3.50 -0.04 -1.26 -4.31 135.00 137.65 2hgj n PRO 48 Ca 0.02 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2hgj n PRO 48 Cb 0.40 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 2hgj n PRO 48 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2hgj n ARG 49 N -1.62 0.00 0.00 0.54 5.12 -1.26 -4.72 116.66 114.72 2hgj n ARG 49 Ca 0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 2hgj n ARG 49 Cb 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 2hgj n ARG 49 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hgj n GLY 50 N 0.00 1.42 0.00 -0.13 0.00 -1.26 -4.54 105.19 100.67 2hgj n GLY 50 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2hgj n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgj n ALA 51 N 2.35 0.00 0.19 4.61 0.00 -1.26 -4.94 120.51 121.46 2hgj n ALA 51 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2hgj n ALA 51 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2hgj n ALA 51 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2hgj h VAL 52 N 0.00 0.68 0.00 0.00 3.04 -1.87 -3.49 116.25 114.62 2hgj h VAL 52 Ca 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2hgj h VAL 52 Cb 0.00 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 30.07 2hgj h VAL 52 CO 0.00 0.04 0.00 2.29 -1.01 0.00 0.00 177.57 178.89 2hgj n LYS 53 N -5.24 0.00 -2.65 4.17 2.85 -1.26 -4.52 118.16 111.51 2hgj n LYS 53 Ca -0.10 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 56.96 2hgj n LYS 53 Cb 0.23 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.61 2hgj n LYS 53 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2hgj n GLU 54 N 0.00 2.41 0.00 -1.58 -0.58 -1.26 -4.72 120.64 114.91 2hgj n GLU 54 Ca 0.00 -4.01 0.00 0.00 -0.42 0.00 0.00 57.16 52.73 2hgj n GLU 54 Cb 0.00 -1.85 0.00 0.00 -0.57 0.00 0.00 31.44 29.02 2hgj n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hgj n GLY 55 N -0.25 0.93 3.62 0.62 0.00 -1.26 -4.70 105.19 104.15 2hgj n GLY 55 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 2hgj n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2hgj s ASP 56 N -0.42 -0.45 0.00 1.61 1.47 -1.25 -1.21 116.67 116.42 2hgj s ASP 56 Ca 0.00 0.77 0.00 0.00 1.18 0.00 0.00 52.55 54.50 2hgj s ASP 56 Cb 0.00 0.75 0.00 0.00 -0.34 0.00 0.00 42.92 43.33 2hgj s ASP 56 CO 0.00 -0.22 0.00 1.33 0.68 0.00 0.00 175.17 176.96 2hgj n VAL 57 N 1.80 0.00 -4.94 2.11 0.24 0.09 -4.93 118.33 112.70 2hgj n VAL 57 Ca -0.12 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 61.91 2hgj n VAL 57 Cb 0.56 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.78 2hgj n VAL 57 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2hgj s VAL 58 N -0.06 1.54 0.26 3.34 -7.23 -1.26 -1.39 120.40 115.62 2hgj s VAL 58 Ca 0.00 -0.81 -0.10 0.00 -1.81 0.00 0.00 61.98 59.26 2hgj s VAL 58 Cb 0.00 -1.30 -0.00 0.00 0.56 0.00 0.00 36.38 35.64 2hgj s VAL 58 CO 0.00 0.44 0.45 -1.59 -0.31 0.00 0.00 175.10 174.09 2hgj s LYS 59 N -0.27 1.60 0.03 4.82 0.00 -0.33 -0.71 119.74 124.89 2hgj s LYS 59 Ca 0.03 -1.39 0.07 0.00 0.00 0.00 0.00 55.97 54.67 2hgj s LYS 59 Cb -0.09 0.45 -0.03 0.00 0.00 0.00 0.00 37.83 38.16 2hgj s LYS 59 CO 0.01 -0.66 -0.17 0.00 0.00 0.00 0.00 175.35 174.52 2hgj s ALA 60 N -3.79 2.61 -0.29 0.59 0.00 0.01 -0.45 121.76 120.44 2hgj s ALA 60 Ca 0.25 -1.16 -0.29 0.00 0.00 0.00 0.00 51.96 50.76 2hgj s ALA 60 Cb -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.35 2hgj s ALA 60 CO 0.11 0.57 1.27 0.08 0.00 0.00 0.00 175.76 177.80 2hgj s VAL 61 N -0.90 4.19 -0.02 0.00 1.01 0.24 -0.44 120.40 124.48 2hgj s VAL 61 Ca 0.14 1.36 0.06 0.00 0.00 0.00 0.00 61.98 63.53 2hgj s VAL 61 Cb -0.11 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 2hgj s VAL 61 CO 0.05 -0.46 -0.18 -0.69 0.00 0.00 0.00 175.10 173.82 2hgj s VAL 62 N 4.23 1.44 0.00 2.92 1.01 0.31 -0.79 120.40 129.53 2hgj s VAL 62 Ca 0.55 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2hgj s VAL 62 Cb -0.16 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2hgj s VAL 62 CO 0.22 0.41 0.00 1.33 0.00 0.00 0.00 175.10 177.06 2hgj n VAL 63 N 2.66 0.00 0.00 2.92 0.24 -1.26 -1.47 118.33 121.41 2hgj n VAL 63 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2hgj n VAL 63 Cb 0.54 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 2hgj n VAL 63 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2hgj n ARG 64 N -0.30 0.00 -1.13 7.34 1.85 -0.45 -4.64 116.66 119.34 2hgj n ARG 64 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2hgj n ARG 64 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2hgj n ARG 64 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2hgj n THR 65 N 0.00 -5.21 -1.31 8.89 -1.04 -0.19 -1.41 114.28 114.01 2hgj n THR 65 Ca 0.00 1.60 0.00 0.00 -2.04 0.00 0.00 64.05 63.61 2hgj n THR 65 Cb 0.00 -2.88 0.00 0.00 -1.82 0.00 0.00 70.33 65.63 2hgj n THR 65 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2hgj n LYS 66 N 0.39 0.00 -2.01 -2.82 3.00 -1.26 -0.60 118.16 114.85 2hgj n LYS 66 Ca 0.00 0.44 -0.01 0.00 -0.00 0.00 0.00 58.31 58.74 2hgj n LYS 66 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 35.03 34.09 2hgj n LYS 66 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2hgj n LYS 67 N -0.07 -0.46 -3.10 1.64 4.76 -1.26 -4.63 118.16 115.04 2hgj n LYS 67 Ca 0.00 0.76 -0.45 0.00 -2.87 0.00 0.00 58.31 55.75 2hgj n LYS 67 Cb 0.00 -2.89 -0.02 0.00 -1.84 0.00 0.00 35.03 30.29 2hgj n LYS 67 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2hgj s GLU 68 N -3.05 3.76 -0.57 1.97 -1.05 -0.31 -4.96 118.70 114.50 2hgj s GLU 68 Ca 0.02 -2.29 -0.16 0.00 -0.15 0.00 0.00 54.97 52.39 2hgj s GLU 68 Cb -0.00 -4.76 0.14 0.00 -0.44 0.00 0.00 34.13 29.07 2hgj s GLU 68 CO 0.24 -1.56 0.53 0.08 0.95 0.00 0.00 175.26 175.49 2hgj s VAL 69 N 1.26 5.25 0.79 1.83 1.01 -1.26 -1.46 120.40 127.82 2hgj s VAL 69 Ca 0.30 -1.60 -0.11 0.00 0.00 0.00 0.00 61.98 60.57 2hgj s VAL 69 Cb -0.07 -4.35 0.07 0.00 0.00 0.00 0.00 36.38 32.03 2hgj s VAL 69 CO -0.08 -0.89 1.09 -0.54 0.00 0.00 0.00 175.10 174.69 2hgj s LYS 70 N 1.46 2.10 0.22 2.72 1.02 -0.11 -4.86 119.74 122.29 2hgj s LYS 70 Ca 0.04 0.97 -0.12 0.00 0.02 0.00 0.00 55.97 56.88 2hgj s LYS 70 Cb -0.28 -1.89 0.28 0.00 -0.52 0.00 0.00 37.83 35.42 2hgj s LYS 70 CO 0.02 -1.70 1.62 0.07 -0.92 0.00 0.00 175.35 174.44 2hgj h ARG 71 N -1.16 0.01 0.00 1.68 0.11 -1.97 0.43 114.38 113.48 2hgj h ARG 71 Ca -0.46 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2hgj h ARG 71 Cb 1.25 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2hgj h ARG 71 CO 0.54 0.01 0.00 -0.35 0.10 0.00 0.00 179.97 180.27 2hgj n PRO 72 N -5.44 0.57 -2.88 0.08 -0.04 -1.26 -4.80 135.00 121.23 2hgj n PRO 72 Ca 0.09 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.46 2hgj n PRO 72 Cb 0.36 -1.08 0.01 0.00 -0.04 0.00 0.00 33.50 32.75 2hgj n PRO 72 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2hgj n ASP 73 N -0.58 -7.88 -4.11 3.54 8.00 0.14 -5.01 116.55 110.65 2hgj n ASP 73 Ca 0.02 0.51 -0.15 0.00 0.71 0.00 0.00 54.79 55.88 2hgj n ASP 73 Cb 0.01 -5.28 -0.12 0.00 -0.02 0.00 0.00 41.12 35.71 2hgj n ASP 73 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2hgj s GLY 74 N -2.58 0.65 -0.05 0.44 0.00 -1.24 -4.94 107.32 99.61 2hgj s GLY 74 Ca 0.25 -0.86 -0.18 0.00 0.00 0.00 0.00 44.72 43.93 2hgj s GLY 74 CO 0.77 -0.90 0.42 -1.35 0.00 0.00 0.00 173.10 172.04 2hgj s SER 75 N -1.63 -0.35 0.01 1.64 1.04 -1.26 -0.93 113.70 112.22 2hgj s SER 75 Ca -0.07 0.38 -0.28 0.00 0.48 0.00 0.00 55.95 56.46 2hgj s SER 75 Cb -0.10 0.48 0.09 0.00 0.10 0.00 0.00 66.02 66.59 2hgj s SER 75 CO 0.01 -0.43 0.78 0.00 0.98 0.00 0.00 173.24 174.59 2hgj s ALA 76 N -1.00 -1.77 -0.05 5.32 0.00 -0.53 -5.01 121.76 118.72 2hgj s ALA 76 Ca -0.10 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.89 2hgj s ALA 76 Cb -0.04 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.38 2hgj s ALA 76 CO 0.05 -0.58 -0.03 0.96 0.00 0.00 0.00 175.76 176.16 2hgj s ILE 77 N -2.55 0.44 0.16 0.00 -4.36 -1.26 -1.16 121.20 112.46 2hgj s ILE 77 Ca -0.01 -0.02 -0.27 0.00 -0.26 0.00 0.00 60.65 60.09 2hgj s ILE 77 Cb -0.01 -0.51 -0.08 0.00 1.25 0.00 0.00 42.46 43.12 2hgj s ILE 77 CO -0.04 0.22 0.82 -0.13 0.24 0.00 0.00 174.94 176.05 2hgj s ARG 78 N 1.21 4.62 -0.62 0.37 1.81 -1.26 -4.83 118.95 120.26 2hgj s ARG 78 Ca -0.07 1.23 -0.02 0.00 -1.72 0.00 0.00 55.73 55.16 2hgj s ARG 78 Cb -0.14 -3.29 0.41 0.00 -0.45 0.00 0.00 34.95 31.48 2hgj s ARG 78 CO -0.02 0.49 2.04 1.19 -0.68 0.00 0.00 175.30 178.32 2hgj n PHE 79 N 1.86 2.95 -3.64 -0.53 0.99 -1.26 -1.03 117.46 116.80 2hgj n PHE 79 Ca -0.04 -2.85 -0.10 0.00 -0.00 0.00 0.00 57.45 54.46 2hgj n PHE 79 Cb 0.49 -1.37 -0.04 0.00 -1.00 0.00 0.00 39.48 37.56 2hgj n PHE 79 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 2hgj s ASP 80 N -1.48 -0.32 -0.26 4.37 3.84 -1.26 -5.05 116.67 116.51 2hgj s ASP 80 Ca 0.59 -0.34 -0.02 0.00 -0.00 0.00 0.00 52.55 52.79 2hgj s ASP 80 Cb 0.46 0.56 0.09 0.00 -1.38 0.00 0.00 42.92 42.65 2hgj s ASP 80 CO -0.02 -0.98 0.08 -1.81 -0.00 0.00 0.00 175.17 172.44 2hgj s ASP 81 N -2.83 3.55 0.16 2.11 -0.00 -1.26 -1.34 116.67 117.07 2hgj s ASP 81 Ca 0.06 -1.29 0.02 0.00 -0.00 0.00 0.00 52.55 51.34 2hgj s ASP 81 Cb -0.00 -0.69 -0.01 0.00 -0.00 0.00 0.00 42.92 42.22 2hgj s ASP 81 CO -0.07 -0.38 0.17 -0.46 -0.00 0.00 0.00 175.17 174.43 2hgj n ASN 82 N 4.98 -0.45 -2.63 0.27 0.23 -0.55 0.95 115.26 118.06 2hgj n ASN 82 Ca -0.05 -2.00 -0.09 0.00 -0.53 0.00 0.00 54.58 51.91 2hgj n ASN 82 Cb 0.44 0.95 0.02 0.00 -2.08 0.00 0.00 39.78 39.11 2hgj n ASN 82 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2hgj n ALA 83 N -1.90 -1.50 -2.52 -2.53 0.00 -0.13 -0.53 120.51 111.40 2hgj n ALA 83 Ca -0.06 -1.18 -0.32 0.00 0.00 0.00 0.00 53.44 51.88 2hgj n ALA 83 Cb 0.29 0.94 -0.12 0.00 0.00 0.00 0.00 19.45 20.56 2hgj n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgj s ALA 84 N -2.04 2.80 0.25 0.00 0.00 0.41 -4.07 121.76 119.12 2hgj s ALA 84 Ca 0.15 -1.04 -0.26 0.00 0.00 0.00 0.00 51.96 50.81 2hgj s ALA 84 Cb -0.04 -0.99 -0.09 0.00 0.00 0.00 0.00 23.12 22.00 2hgj s ALA 84 CO 0.11 0.58 0.87 0.08 0.00 0.00 0.00 175.76 177.41 2hgj s VAL 85 N -0.88 4.25 0.27 0.00 1.01 -1.26 -0.81 120.40 122.98 2hgj s VAL 85 Ca 0.14 1.81 0.09 0.00 0.00 0.00 0.00 61.98 64.02 2hgj s VAL 85 Cb -0.11 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2hgj s VAL 85 CO 0.04 0.35 0.05 -0.63 0.00 0.00 0.00 175.10 174.91 2hgj s ILE 86 N -1.36 3.65 -0.20 2.22 1.09 0.11 -3.47 121.20 123.23 2hgj s ILE 86 Ca 0.43 -1.78 0.01 0.00 -1.10 0.00 0.00 60.65 58.20 2hgj s ILE 86 Cb -0.22 -2.98 0.02 0.00 -1.06 0.00 0.00 42.46 38.23 2hgj s ILE 86 CO 0.26 -0.36 -0.16 -0.63 -0.10 0.00 0.00 174.94 173.96 2hgj s ILE 87 N -2.29 2.28 0.00 2.92 1.01 -0.40 -4.14 121.20 120.58 2hgj s ILE 87 Ca 0.32 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.96 2hgj s ILE 87 Cb -0.06 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.36 2hgj s ILE 87 CO 0.21 0.41 0.00 -0.46 0.00 0.00 0.00 174.94 175.10 2hgj n ASN 88 N 4.61 0.00 -0.29 3.58 6.94 -1.26 -0.80 115.26 128.04 2hgj n ASN 88 Ca -0.19 0.00 0.33 0.00 -0.02 0.00 0.00 54.58 54.70 2hgj n ASN 88 Cb 0.49 0.00 0.73 0.00 -2.36 0.00 0.00 39.78 38.63 2hgj n ASN 88 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 2hgj h ASN 89 N 0.00 0.03 0.00 0.53 2.35 -1.99 -3.44 115.58 113.07 2hgj h ASN 89 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2hgj h ASN 89 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2hgj h ASN 89 CO 0.00 0.01 0.00 1.67 -1.65 0.00 0.00 177.43 177.46 2hgj n GLN 90 N -4.23 0.00 -0.45 0.81 7.27 0.02 -5.06 117.38 115.74 2hgj n GLN 90 Ca 0.24 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 57.13 2hgj n GLN 90 Cb 1.16 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.78 2hgj n GLN 90 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2hgj n LEU 91 N 0.00 0.07 -4.72 1.69 4.77 -1.25 -2.65 117.00 114.91 2hgj n LEU 91 Ca 0.00 0.34 -0.34 0.00 -0.03 0.00 0.00 56.01 55.98 2hgj n LEU 91 Cb 0.00 -0.26 0.09 0.00 -2.33 0.00 0.00 43.42 40.92 2hgj n LEU 91 CO 0.00 -0.48 0.80 -1.83 -1.33 0.00 0.00 177.39 174.54 2hgj s GLU 92 N 0.19 2.13 -0.31 3.23 -1.05 -1.26 -1.28 118.70 120.35 2hgj s GLU 92 Ca 0.27 1.75 0.03 0.00 -0.15 0.00 0.00 54.97 56.87 2hgj s GLU 92 Cb -0.38 -1.83 0.08 0.00 -0.44 0.00 0.00 34.13 31.56 2hgj s GLU 92 CO 0.18 -1.84 -0.00 -1.25 0.95 0.00 0.00 175.26 173.29 2hgj s PRO 93 N -3.93 1.67 0.00 -4.83 0.04 -1.23 -4.72 135.00 122.00 2hgj s PRO 93 Ca 0.74 -1.60 0.00 0.00 0.04 0.00 0.00 61.00 60.18 2hgj s PRO 93 Cb -0.29 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2hgj s PRO 93 CO 0.46 -0.80 0.00 -2.13 0.04 0.00 0.00 177.00 174.56 2hgj n ARG 94 N 4.37 -2.46 0.00 4.56 3.00 -1.26 -3.54 116.66 121.33 2hgj n ARG 94 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 2hgj n ARG 94 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.88 2hgj n ARG 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hgj n GLY 95 N -0.79 -0.46 0.00 5.14 0.00 -1.26 -4.98 105.19 102.85 2hgj n GLY 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgj n GLY 95 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2hgj n THR 96 N -2.30 0.00 -3.65 2.61 -1.04 -1.26 -5.00 114.28 103.64 2hgj n THR 96 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 2hgj n THR 96 Cb 0.00 -0.54 -0.07 0.00 -1.82 0.00 0.00 70.33 67.90 2hgj n THR 96 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2hgj s ARG 97 N 1.55 0.23 -0.55 -2.82 6.06 -1.26 -4.59 118.95 117.57 2hgj s ARG 97 Ca 0.00 0.32 -0.20 0.00 -2.50 0.00 0.00 55.73 53.35 2hgj s ARG 97 Cb 0.00 0.08 0.07 0.00 0.06 0.00 0.00 34.95 35.16 2hgj s ARG 97 CO 0.00 -0.04 0.71 0.14 -2.50 0.00 0.00 175.30 173.62 2hgj s VAL 98 N 0.60 4.75 0.00 7.11 -7.23 -1.26 -4.06 120.40 120.32 2hgj s VAL 98 Ca -0.01 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 2hgj s VAL 98 Cb -0.04 -4.41 0.00 0.00 0.56 0.00 0.00 36.38 32.49 2hgj s VAL 98 CO -0.12 -0.98 0.00 0.33 -0.31 0.00 0.00 175.10 174.02 2hgj n PHE 99 N 6.50 0.00 -1.71 2.82 7.35 -0.15 -5.00 117.46 127.27 2hgj n PHE 99 Ca -0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 2hgj n PHE 99 Cb 0.45 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.28 2hgj n PHE 99 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2hgj n GLY 100 N -0.60 1.05 0.00 7.13 0.00 -1.26 -3.59 105.19 107.92 2hgj n GLY 100 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 2hgj n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hgj n PRO 101 N -0.34 0.00 -2.90 1.61 -0.02 -1.23 -4.80 135.00 127.32 2hgj n PRO 101 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 2hgj n PRO 101 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.49 2hgj n PRO 101 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2hgj n VAL 102 N 0.00 -9.87 0.00 -1.45 0.31 -1.26 -4.85 118.33 101.21 2hgj n VAL 102 Ca 0.00 1.16 0.00 0.00 -0.01 0.00 0.00 64.34 65.49 2hgj n VAL 102 Cb 0.00 -6.36 0.00 0.00 -0.91 0.00 0.00 33.84 26.57 2hgj n VAL 102 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hgj n ALA 103 N 0.27 0.00 -0.04 3.52 0.00 -1.26 -1.83 120.51 121.16 2hgj n ALA 103 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.49 2hgj n ALA 103 Cb 0.31 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.77 2hgj n ALA 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hgj n ARG 104 N -3.10 -0.01 0.29 0.00 1.74 -1.26 0.35 116.66 114.67 2hgj n ARG 104 Ca 0.00 0.18 -0.12 0.00 -0.77 0.00 0.00 57.85 57.14 2hgj n ARG 104 Cb 0.00 -0.26 -0.06 0.00 -1.02 0.00 0.00 32.46 31.12 2hgj n ARG 104 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2hgj h GLU 105 N 0.00 -0.74 -0.59 5.56 5.08 -1.69 -1.62 114.58 120.57 2hgj h GLU 105 Ca 0.05 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.64 2hgj h GLU 105 Cb 0.08 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2hgj h GLU 105 CO -0.12 -0.49 0.48 1.37 -1.00 0.00 0.00 179.01 179.25 2hgj h LEU 106 N -0.77 0.00 -0.52 1.33 8.10 0.58 1.57 115.31 125.60 2hgj h LEU 106 Ca -0.07 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.93 2hgj h LEU 106 Cb 0.60 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.79 2hgj h LEU 106 CO 0.11 0.00 0.33 0.03 -4.11 0.00 0.00 178.44 174.80 2hgj h ARG 107 N 0.00 0.65 -0.22 0.17 3.08 0.01 2.39 114.38 120.46 2hgj h ARG 107 Ca 0.28 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.34 2hgj h ARG 107 Cb 1.25 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 31.10 2hgj h ARG 107 CO -0.00 0.43 -0.09 1.49 -1.07 0.00 0.00 179.97 180.73 2hgj h GLU 108 N 0.67 -0.06 0.00 0.04 4.22 0.31 -3.45 114.58 116.31 2hgj h GLU 108 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.64 2hgj h GLU 108 Cb -0.05 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2hgj h GLU 108 CO -0.06 -0.04 0.00 1.63 -2.18 0.00 0.00 179.01 178.36 2hgj n LYS 109 N -5.25 0.00 -1.51 1.92 5.02 0.80 -4.97 118.16 114.16 2hgj n LYS 109 Ca -0.02 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.97 2hgj n LYS 109 Cb 0.17 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.03 2hgj n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hgj n GLY 110 N 0.00 -0.37 0.00 0.72 0.00 -1.26 -1.52 105.19 102.76 2hgj n GLY 110 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.60 2hgj n GLY 110 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2hgj n PHE 111 N 10.35 0.00 -0.34 1.61 1.16 -1.26 -5.00 117.46 123.98 2hgj n PHE 111 Ca 0.61 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 56.31 2hgj n PHE 111 Cb 0.18 0.00 0.25 0.00 -1.61 0.00 0.00 39.48 38.31 2hgj n PHE 111 CO 0.00 0.00 0.00 -1.33 -1.87 0.00 0.00 176.76 173.56 2hgj n MET 112 N 0.00 -0.08 -0.37 3.97 2.81 -0.58 0.65 117.12 123.53 2hgj n MET 112 Ca 0.00 1.48 0.28 0.00 -1.81 0.00 0.00 57.70 57.66 2hgj n MET 112 Cb 0.00 -2.32 0.54 0.00 -0.71 0.00 0.00 33.22 30.73 2hgj n MET 112 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2hgj h LYS 113 N 0.00 0.24 0.34 0.03 1.63 -1.94 3.91 116.57 120.77 2hgj h LYS 113 Ca 0.57 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.35 2hgj h LYS 113 Cb 1.11 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.66 2hgj h LYS 113 CO -0.94 0.16 -0.35 0.82 -3.45 0.00 0.00 179.45 175.68 2hgj h ILE 114 N 0.24 0.28 -0.83 2.00 2.04 1.98 -0.20 117.51 123.02 2hgj h ILE 114 Ca 0.74 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.70 2hgj h ILE 114 Cb 1.97 0.28 -0.12 0.00 -0.74 0.00 0.00 36.82 38.21 2hgj h ILE 114 CO -0.49 0.00 -0.41 0.52 0.00 0.00 0.00 178.15 177.77 2hgj n VAL 115 N -5.46 -0.50 0.34 1.67 0.31 1.28 -0.63 118.33 115.33 2hgj n VAL 115 Ca -0.10 1.97 -0.16 0.00 -0.01 0.00 0.00 64.34 66.04 2hgj n VAL 115 Cb 0.36 -2.52 -0.08 0.00 -0.91 0.00 0.00 33.84 30.69 2hgj n VAL 115 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2hgj h SER 116 N 0.00 -0.73 0.00 4.52 0.87 -0.75 -3.36 113.55 114.11 2hgj h SER 116 Ca 0.21 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2hgj h SER 116 Cb 0.42 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2hgj h SER 116 CO -0.80 -0.43 0.00 -0.11 -0.53 0.00 0.00 176.83 174.96 2hgj n LEU 117 N -5.41 0.00 -4.55 2.23 0.00 0.19 -4.14 117.00 105.33 2hgj n LEU 117 Ca -0.13 0.83 -0.43 0.00 0.00 0.00 0.00 56.01 56.28 2hgj n LEU 117 Cb 0.36 -0.33 -0.04 0.00 0.00 0.00 0.00 43.42 43.42 2hgj n LEU 117 CO 0.34 -0.33 0.77 0.00 0.00 0.00 0.00 177.39 178.18 2hgj s ALA 118 N -3.49 3.18 0.00 1.96 0.00 -0.45 -4.67 121.76 118.28 2hgj s ALA 118 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.95 2hgj s ALA 118 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2hgj s ALA 118 CO 0.00 -2.25 0.01 -0.35 0.00 0.00 0.00 175.76 173.16 2hgj n PRO 119 N 7.39 0.24 0.00 0.00 -0.04 -1.24 -4.56 135.00 136.80 2hgj n PRO 119 Ca 0.04 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2hgj n PRO 119 Cb 0.48 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 2hgj n PRO 119 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2hgj n GLU 120 N -0.04 3.15 0.00 0.54 1.02 -1.26 -3.50 120.64 120.56 2hgj n GLU 120 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2hgj n GLU 120 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.49 2hgj n GLU 120 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2hgj n VAL 121 N 0.00 0.39 -0.22 2.62 0.31 -1.26 -4.25 118.33 115.91 2hgj n VAL 121 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 2hgj n VAL 121 Cb 0.00 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 2hgj n VAL 121 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40