#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hsh s GLN 2 N 0.00 1.71 -0.19 -0.52 0.74 -1.26 -5.13 119.66 115.01 1hsh s GLN 2 Ca 0.00 -0.40 -0.04 0.00 0.05 0.00 0.00 55.36 54.97 1hsh s GLN 2 Cb 0.00 -1.46 -0.02 0.00 1.10 0.00 0.00 33.01 32.63 1hsh s GLN 2 CO 0.00 -0.02 -0.04 -0.06 -0.55 0.00 0.00 175.29 174.62 1hsh s PHE 3 N 0.84 2.98 -0.20 1.67 0.40 -1.26 -5.01 117.98 117.41 1hsh s PHE 3 Ca -0.11 -0.57 0.21 0.00 -0.60 0.00 0.00 56.93 55.86 1hsh s PHE 3 Cb -0.15 -2.03 -0.05 0.00 0.51 0.00 0.00 43.02 41.30 1hsh s PHE 3 CO 0.02 -0.27 0.96 -1.13 0.70 0.00 0.00 175.22 175.49 1hsh n SER 4 N 4.15 0.81 0.00 1.36 3.41 -1.26 -4.97 113.62 117.12 1hsh n SER 4 Ca -0.18 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1hsh n SER 4 Cb 0.52 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 1hsh n SER 4 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1hsh n LEU 5 N -2.71 0.13 0.21 1.04 4.77 -1.26 -4.92 117.00 114.27 1hsh n LEU 5 Ca -0.03 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.02 1hsh n LEU 5 Cb 0.62 -0.75 0.46 0.00 -2.33 0.00 0.00 43.42 41.42 1hsh n LEU 5 CO 0.41 -0.13 0.78 -0.50 -1.33 0.00 0.00 177.39 176.62 1hsh h TRP 6 N 0.00 0.00 -2.71 -1.77 4.06 -2.04 -3.43 115.95 110.06 1hsh h TRP 6 Ca 0.00 0.00 -0.49 0.00 2.06 0.00 0.00 58.89 60.46 1hsh h TRP 6 Cb 0.13 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.15 1hsh h TRP 6 CO 0.08 0.29 -0.59 -1.59 -3.56 0.00 0.00 178.44 173.07 1hsh s LYS 7 N -3.96 1.72 0.17 0.49 0.00 -1.26 -5.11 119.74 111.79 1hsh s LYS 7 Ca -0.02 -1.98 -0.34 0.00 0.00 0.00 0.00 55.97 53.64 1hsh s LYS 7 Cb 0.13 -0.86 -0.14 0.00 0.00 0.00 0.00 37.83 36.95 1hsh s LYS 7 CO 0.67 -0.24 1.50 0.54 0.00 0.00 0.00 175.35 177.82 1hsh n ARG 8 N -0.75 1.96 -1.44 1.78 1.74 -1.26 -4.83 116.66 113.86 1hsh n ARG 8 Ca -0.03 0.70 -0.41 0.00 -0.77 0.00 0.00 57.85 57.34 1hsh n ARG 8 Cb 0.66 -2.43 -0.04 0.00 -1.02 0.00 0.00 32.46 29.63 1hsh n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hsh n PRO 9 N 2.97 1.87 -3.85 5.56 -0.04 -1.26 -4.94 135.00 135.31 1hsh n PRO 9 Ca 0.16 -2.14 -0.36 0.00 -0.04 0.00 0.00 63.50 61.13 1hsh n PRO 9 Cb 0.28 -3.11 -0.10 0.00 -0.04 0.00 0.00 33.50 30.52 1hsh n PRO 9 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hsh s VAL 10 N 5.28 4.86 0.42 0.52 1.01 -1.26 -1.11 120.40 130.11 1hsh s VAL 10 Ca 0.56 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.58 1hsh s VAL 10 Cb 0.12 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1hsh s VAL 10 CO 0.08 0.40 0.10 0.68 0.00 0.00 0.00 175.10 176.36 1hsh s VAL 11 N 0.86 0.75 -0.12 2.92 -7.23 -0.18 -4.93 120.40 112.48 1hsh s VAL 11 Ca 0.05 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.16 1hsh s VAL 11 Cb -0.13 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1hsh s VAL 11 CO 0.03 0.00 0.12 -0.89 -0.31 0.00 0.00 175.10 174.05 1hsh s THR 12 N -3.16 5.36 0.19 5.32 2.01 -1.26 0.09 115.64 124.18 1hsh s THR 12 Ca 0.22 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.40 1hsh s THR 12 Cb 0.03 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 1hsh s THR 12 CO 0.13 0.62 -0.00 0.00 -0.69 0.00 0.00 174.62 174.67 1hsh s ALA 13 N -1.01 1.46 -0.14 7.40 0.00 -0.11 -4.44 121.76 124.91 1hsh s ALA 13 Ca 0.15 -1.63 -0.01 0.00 0.00 0.00 0.00 51.96 50.47 1hsh s ALA 13 Cb -0.12 0.51 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 1hsh s ALA 13 CO 0.04 -0.29 -0.12 0.71 0.00 0.00 0.00 175.76 176.10 1hsh s TYR 14 N -3.58 2.84 -0.33 0.00 2.02 0.21 -1.43 117.35 117.08 1hsh s TYR 14 Ca 0.25 -0.69 0.01 0.00 -0.37 0.00 0.00 57.07 56.26 1hsh s TYR 14 Cb 0.06 -1.89 0.08 0.00 -0.40 0.00 0.00 41.96 39.81 1hsh s TYR 14 CO 0.05 -0.26 0.04 0.42 -1.57 0.00 0.00 175.55 174.23 1hsh s ILE 15 N 0.52 2.69 -1.54 2.71 1.01 0.18 -0.31 121.20 126.46 1hsh s ILE 15 Ca -0.08 -1.85 -0.13 0.00 0.00 0.00 0.00 60.65 58.59 1hsh s ILE 15 Cb -0.16 -2.74 0.09 0.00 0.01 0.00 0.00 42.46 39.66 1hsh s ILE 15 CO 0.04 -0.36 0.94 -0.62 0.00 0.00 0.00 174.94 174.94 1hsh n GLU 16 N 4.47 -5.20 0.00 2.79 -0.58 -0.34 -2.45 120.64 119.33 1hsh n GLU 16 Ca -0.06 0.57 0.00 0.00 -0.42 0.00 0.00 57.16 57.25 1hsh n GLU 16 Cb 0.42 -5.41 0.00 0.00 -0.57 0.00 0.00 31.44 25.88 1hsh n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hsh n GLY 17 N -1.66 2.61 3.59 0.62 0.00 -1.26 -5.03 105.19 104.06 1hsh n GLY 17 Ca 0.02 -0.59 -0.53 0.00 0.00 0.00 0.00 46.02 44.93 1hsh n GLY 17 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1hsh n GLN 18 N 0.00 1.35 -2.53 1.61 6.02 -1.02 -4.76 117.38 118.03 1hsh n GLN 18 Ca 0.00 0.45 -0.35 0.00 -0.01 0.00 0.00 57.00 57.10 1hsh n GLN 18 Cb 0.00 -2.37 -0.03 0.00 1.02 0.00 0.00 30.24 28.86 1hsh n GLN 18 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 1hsh s PRO 19 N 4.80 3.88 -0.15 -1.09 0.02 -1.26 0.52 135.00 141.71 1hsh s PRO 19 Ca 1.02 1.41 -0.30 0.00 0.02 0.00 0.00 61.00 63.15 1hsh s PRO 19 Cb -0.90 -2.20 0.12 0.00 0.02 0.00 0.00 34.50 31.54 1hsh s PRO 19 CO 0.56 -0.37 0.99 0.54 -0.33 0.00 0.00 177.00 178.38 1hsh s VAL 20 N -1.89 0.00 -0.19 3.83 0.11 -0.51 -4.94 120.40 116.80 1hsh s VAL 20 Ca 0.65 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.58 1hsh s VAL 20 Cb -0.18 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.62 1hsh s VAL 20 CO 0.22 0.00 0.21 -1.61 -3.33 0.00 0.00 175.10 170.59 1hsh s GLU 21 N -1.13 4.20 -0.01 1.54 2.02 -1.26 -0.94 118.70 123.12 1hsh s GLU 21 Ca -0.02 -0.09 0.05 0.00 0.02 0.00 0.00 54.97 54.93 1hsh s GLU 21 Cb -0.00 -3.44 -0.01 0.00 0.10 0.00 0.00 34.13 30.77 1hsh s GLU 21 CO 0.02 0.23 -0.17 0.14 0.02 0.00 0.00 175.26 175.50 1hsh s VAL 22 N 0.53 1.35 0.08 2.63 -7.23 0.11 -4.30 120.40 113.57 1hsh s VAL 22 Ca 0.12 -0.76 -0.23 0.00 -1.81 0.00 0.00 61.98 59.30 1hsh s VAL 22 Cb -0.12 -1.13 -0.06 0.00 0.56 0.00 0.00 36.38 35.63 1hsh s VAL 22 CO 0.01 0.36 0.69 -0.22 -0.31 0.00 0.00 175.10 175.64 1hsh s LEU 23 N -0.46 4.50 -0.49 1.32 2.96 0.64 -1.01 118.68 126.15 1hsh s LEU 23 Ca 0.06 1.41 -0.22 0.00 -0.22 0.00 0.00 54.13 55.17 1hsh s LEU 23 Cb -0.07 -3.12 0.04 0.00 0.50 0.00 0.00 46.19 43.54 1hsh s LEU 23 CO -0.00 0.15 0.78 -0.76 -1.32 0.00 0.00 176.35 175.19 1hsh s LEU 24 N -0.64 4.39 -0.31 -0.68 1.43 -0.27 -0.94 118.68 121.66 1hsh s LEU 24 Ca 0.34 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1hsh s LEU 24 Cb -0.21 -2.78 0.09 0.00 0.03 0.00 0.00 46.19 43.33 1hsh s LEU 24 CO 0.22 -0.98 0.04 -0.62 0.23 0.00 0.00 176.35 175.24 1hsh s ASP 25 N 2.44 4.37 0.00 2.29 -1.08 -0.50 -4.78 116.67 119.41 1hsh s ASP 25 Ca 0.26 -1.80 0.25 0.00 -0.52 0.00 0.00 52.55 50.73 1hsh s ASP 25 Cb -0.14 -1.30 1.16 0.00 -1.46 0.00 0.00 42.92 41.18 1hsh s ASP 25 CO 0.19 -0.36 1.81 0.35 0.52 0.00 0.00 175.17 177.68 1hsh n THR 26 N 4.52 0.26 1.05 1.71 -2.24 -1.26 -2.68 114.28 115.63 1hsh n THR 26 Ca -0.01 0.06 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1hsh n THR 26 Cb 0.42 -0.65 0.19 0.00 -2.10 0.00 0.00 70.33 68.20 1hsh n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hsh n GLY 27 N 0.93 -1.01 3.69 3.38 0.00 -1.26 -4.81 105.19 106.11 1hsh n GLY 27 Ca 0.09 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 1hsh n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hsh s ALA 28 N -2.88 3.52 0.15 4.61 0.00 -1.09 -4.97 121.76 121.09 1hsh s ALA 28 Ca 0.13 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 1hsh s ALA 28 Cb 0.18 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 1hsh s ALA 28 CO 0.69 -0.22 1.44 -0.44 0.00 0.00 0.00 175.76 177.23 1hsh h ASP 29 N 7.12 0.88 -3.88 0.00 3.32 -1.88 0.54 116.42 122.52 1hsh h ASP 29 Ca -0.37 -0.47 -0.25 0.00 0.02 0.00 0.00 57.03 55.96 1hsh h ASP 29 Cb 1.17 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.42 1hsh h ASP 29 CO 0.74 1.24 -0.18 0.47 -1.72 0.00 0.00 179.24 179.80 1hsh n ASP 30 N -4.00 2.43 -4.11 6.45 8.00 -1.26 -2.82 116.55 121.24 1hsh n ASP 30 Ca -0.04 -1.85 -0.24 0.00 0.71 0.00 0.00 54.79 53.37 1hsh n ASP 30 Cb 0.61 0.12 -0.15 0.00 -0.02 0.00 0.00 41.12 41.68 1hsh n ASP 30 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1hsh s SER 31 N -2.11 1.82 -0.02 -2.24 0.01 -1.26 -2.59 113.70 107.31 1hsh s SER 31 Ca 0.02 -0.29 -0.01 0.00 1.31 0.00 0.00 55.95 56.98 1hsh s SER 31 Cb -0.00 -0.32 0.01 0.00 0.21 0.00 0.00 66.02 65.91 1hsh s SER 31 CO 0.01 0.16 0.04 -0.51 0.41 0.00 0.00 173.24 173.36 1hsh s ILE 32 N -0.18 -0.01 0.09 1.44 2.07 -0.57 -1.76 121.20 122.29 1hsh s ILE 32 Ca 0.02 0.04 0.06 0.00 -1.41 0.00 0.00 60.65 59.36 1hsh s ILE 32 Cb -0.08 -0.07 -0.03 0.00 0.13 0.00 0.00 42.46 42.41 1hsh s ILE 32 CO 0.00 0.02 -0.16 0.68 -1.91 0.00 0.00 174.94 173.57 1hsh s VAL 33 N 0.22 1.33 0.38 4.00 -7.23 -0.12 -0.35 120.40 118.62 1hsh s VAL 33 Ca -0.02 -1.45 0.08 0.00 -1.81 0.00 0.00 61.98 58.78 1hsh s VAL 33 Cb -0.02 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.57 1hsh s VAL 33 CO -0.01 -0.22 0.14 0.00 -0.31 0.00 0.00 175.10 174.70 1hsh s ALA 34 N -1.41 3.49 -0.46 1.32 0.00 -1.26 -1.92 121.76 121.52 1hsh s ALA 34 Ca 0.03 -2.02 0.00 0.00 0.00 0.00 0.00 51.96 49.96 1hsh s ALA 34 Cb -0.09 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1hsh s ALA 34 CO 0.03 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1hsh n GLY 35 N -1.16 0.62 3.37 0.00 0.00 -1.26 -4.99 105.19 101.77 1hsh n GLY 35 Ca -0.02 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1hsh n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hsh s ILE 36 N -1.83 2.60 -0.40 -0.61 -1.09 -1.26 -5.08 121.20 113.51 1hsh s ILE 36 Ca 0.00 -0.88 -0.24 0.00 -2.23 0.00 0.00 60.65 57.30 1hsh s ILE 36 Cb 0.00 -1.99 0.02 0.00 -1.58 0.00 0.00 42.46 38.90 1hsh s ILE 36 CO 0.00 0.57 0.82 -1.61 -1.23 0.00 0.00 174.94 173.49 1hsh s GLU 37 N -0.36 3.63 -0.00 2.79 8.01 -1.26 -4.89 118.70 126.61 1hsh s GLU 37 Ca 0.03 0.19 0.04 0.00 0.01 0.00 0.00 54.97 55.24 1hsh s GLU 37 Cb -0.12 -3.86 -0.06 0.00 -4.31 0.00 0.00 34.13 25.78 1hsh s GLU 37 CO 0.02 -0.99 0.12 -0.11 0.01 0.00 0.00 175.26 174.31 1hsh n LEU 38 N 6.66 0.07 0.00 1.80 7.94 -1.26 -5.09 117.00 127.12 1hsh n LEU 38 Ca 0.04 -0.19 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 1hsh n LEU 38 Cb 0.48 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.43 1hsh n LEU 38 CO 0.57 0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.48 1hsh n GLY 39 N 1.82 -0.46 0.00 -3.96 0.00 -1.26 -4.78 105.19 96.54 1hsh n GLY 39 Ca -0.00 -1.98 0.07 0.00 0.00 0.00 0.00 46.02 44.11 1hsh n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hsh n ASN 40 N 0.00 0.80 -4.25 1.61 5.15 -1.26 -4.67 115.26 112.64 1hsh n ASN 40 Ca 0.00 -0.71 -0.44 0.00 -0.60 0.00 0.00 54.58 52.82 1hsh n ASN 40 Cb 0.00 1.09 -0.00 0.00 -0.53 0.00 0.00 39.78 40.34 1hsh n ASN 40 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1hsh n ASN 41 N -1.42 5.68 -4.16 1.20 5.03 -1.26 -4.98 115.26 115.35 1hsh n ASN 41 Ca 0.02 -3.13 -0.15 0.00 0.87 0.00 0.00 54.58 52.19 1hsh n ASN 41 Cb 0.24 -1.34 -0.11 0.00 -1.02 0.00 0.00 39.78 37.54 1hsh n ASN 41 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 1hsh s TYR 42 N -1.64 1.03 0.01 3.10 1.13 -1.26 -4.75 117.35 114.97 1hsh s TYR 42 Ca 0.31 -0.61 0.00 0.00 -1.41 0.00 0.00 57.07 55.36 1hsh s TYR 42 Cb -0.07 -0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 40.19 1hsh s TYR 42 CO -0.04 -0.01 0.08 -1.12 -2.51 0.00 0.00 175.55 171.96 1hsh s SER 43 N -2.25 5.65 0.16 -0.18 0.01 -0.71 -4.86 113.70 111.52 1hsh s SER 43 Ca 0.03 0.12 -0.30 0.00 1.31 0.00 0.00 55.95 57.10 1hsh s SER 43 Cb -0.05 -1.60 -0.07 0.00 0.21 0.00 0.00 66.02 64.51 1hsh s SER 43 CO 0.00 0.25 0.94 -2.16 0.41 0.00 0.00 173.24 172.68 1hsh s PRO 44 N -1.88 4.76 0.17 12.44 0.04 -1.26 0.63 135.00 149.90 1hsh s PRO 44 Ca 0.24 1.45 0.05 0.00 0.04 0.00 0.00 61.00 62.78 1hsh s PRO 44 Cb -0.12 -3.33 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 1hsh s PRO 44 CO 0.16 0.35 -0.09 0.15 0.04 0.00 0.00 177.00 177.61 1hsh s LYS 45 N -0.52 1.14 -0.10 4.56 -0.14 -0.37 -4.91 119.74 119.41 1hsh s LYS 45 Ca 0.44 -1.51 0.03 0.00 -1.36 0.00 0.00 55.97 53.57 1hsh s LYS 45 Cb -0.24 -0.68 0.01 0.00 -1.68 0.00 0.00 37.83 35.23 1hsh s LYS 45 CO 0.30 0.06 -0.21 0.42 -0.76 0.00 0.00 175.35 175.16 1hsh s ILE 46 N -3.30 1.87 0.24 2.17 1.01 -1.26 -1.35 121.20 120.58 1hsh s ILE 46 Ca 0.19 -0.90 0.12 0.00 0.00 0.00 0.00 60.65 60.06 1hsh s ILE 46 Cb 0.03 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 1hsh s ILE 46 CO 0.03 0.52 -0.20 0.68 0.00 0.00 0.00 174.94 175.96 1hsh s VAL 47 N 0.54 2.51 0.03 2.92 -7.23 -0.92 -4.98 120.40 113.27 1hsh s VAL 47 Ca -0.15 -2.22 0.03 0.00 -1.81 0.00 0.00 61.98 57.82 1hsh s VAL 47 Cb -0.17 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 1hsh s VAL 47 CO 0.05 -0.29 -0.08 -0.83 -0.31 0.00 0.00 175.10 173.64 1hsh s GLY 48 N -3.20 0.50 0.00 2.32 0.00 -1.26 -0.35 107.32 105.33 1hsh s GLY 48 Ca 0.27 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.33 1hsh s GLY 48 CO 0.13 -0.67 0.00 0.61 0.00 0.00 0.00 173.10 173.17 1hsh n GLY 49 N 1.87 5.22 3.67 0.20 0.00 -0.28 -4.98 105.19 110.90 1hsh n GLY 49 Ca -0.20 -1.53 -0.44 0.00 0.00 0.00 0.00 46.02 43.85 1hsh n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1hsh n ILE 50 N 0.00 1.21 -0.57 -0.61 2.08 -1.26 -2.98 119.36 117.23 1hsh n ILE 50 Ca 0.00 -0.30 0.00 0.00 0.56 0.00 0.00 62.75 63.01 1hsh n ILE 50 Cb 0.00 -1.44 0.00 0.00 -0.75 0.00 0.00 39.64 37.45 1hsh n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1hsh n GLY 51 N 1.83 1.71 0.00 7.39 0.00 -1.26 -4.89 105.19 109.98 1hsh n GLY 51 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1hsh n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hsh n GLY 52 N -2.00 0.83 3.56 -0.02 0.00 -1.16 -5.11 105.19 101.29 1hsh n GLY 52 Ca 0.00 -1.95 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 1hsh n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hsh s PHE 53 N -2.34 2.65 0.08 1.61 0.40 -1.26 -1.12 117.98 118.00 1hsh s PHE 53 Ca 0.00 -0.21 0.06 0.00 -0.60 0.00 0.00 56.93 56.18 1hsh s PHE 53 Cb 0.00 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.16 1hsh s PHE 53 CO 0.00 0.47 -0.16 0.42 0.70 0.00 0.00 175.22 176.64 1hsh s ILE 54 N -1.48 1.32 -0.33 0.64 -1.09 0.52 -4.98 121.20 115.80 1hsh s ILE 54 Ca 0.23 -1.38 -0.14 0.00 -2.23 0.00 0.00 60.65 57.13 1hsh s ILE 54 Cb -0.10 -1.24 -0.02 0.00 -1.58 0.00 0.00 42.46 39.53 1hsh s ILE 54 CO 0.14 -0.16 0.32 0.20 -1.23 0.00 0.00 174.94 174.21 1hsh s ASN 55 N -1.78 6.14 0.39 3.58 0.01 -1.26 -2.16 114.94 119.85 1hsh s ASN 55 Ca 0.01 -0.22 0.08 0.00 -0.71 0.00 0.00 52.86 52.02 1hsh s ASN 55 Cb -0.10 -2.18 -0.07 0.00 0.41 0.00 0.00 41.25 39.32 1hsh s ASN 55 CO 0.03 -0.28 0.04 0.42 -1.51 0.00 0.00 177.10 175.80 1hsh s THR 56 N 1.93 2.24 -0.12 1.60 -4.23 -0.46 -4.57 115.64 112.03 1hsh s THR 56 Ca 0.10 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 1hsh s THR 56 Cb -0.17 -2.91 -0.01 0.00 1.34 0.00 0.00 72.50 70.75 1hsh s THR 56 CO 0.11 -0.07 -0.14 -0.54 -0.54 0.00 0.00 174.62 173.45 1hsh s LYS 57 N -3.75 3.32 -0.19 3.99 1.02 0.56 -1.23 119.74 123.46 1hsh s LYS 57 Ca 0.36 -0.69 -0.07 0.00 0.02 0.00 0.00 55.97 55.59 1hsh s LYS 57 Cb 0.05 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.72 1hsh s LYS 57 CO 0.19 0.24 0.05 -2.00 -0.92 0.00 0.00 175.35 172.91 1hsh s GLU 58 N 0.28 3.84 -0.04 1.68 2.12 0.21 -0.69 118.70 126.10 1hsh s GLU 58 Ca -0.10 -0.41 0.05 0.00 0.36 0.00 0.00 54.97 54.87 1hsh s GLU 58 Cb -0.16 -3.19 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 1hsh s GLU 58 CO 0.06 0.15 -0.18 0.71 -0.54 0.00 0.00 175.26 175.45 1hsh s TYR 59 N 0.69 1.76 0.27 5.30 2.02 -0.35 -1.74 117.35 125.30 1hsh s TYR 59 Ca 0.02 -0.46 0.09 0.00 -0.37 0.00 0.00 57.07 56.35 1hsh s TYR 59 Cb -0.13 -1.17 -0.04 0.00 -0.40 0.00 0.00 41.96 40.22 1hsh s TYR 59 CO 0.02 -0.13 0.07 0.15 -1.57 0.00 0.00 175.55 174.08 1hsh s LYS 60 N -0.11 2.48 -1.31 -0.62 1.02 -1.26 -1.10 119.74 118.85 1hsh s LYS 60 Ca -0.01 -1.32 -0.08 0.00 0.02 0.00 0.00 55.97 54.58 1hsh s LYS 60 Cb -0.10 -2.28 0.01 0.00 -0.52 0.00 0.00 37.83 34.93 1hsh s LYS 60 CO 0.01 0.35 1.14 0.09 -0.92 0.00 0.00 175.35 176.03 1hsh n ASN 61 N -1.00 -5.98 -4.73 2.83 4.13 -1.00 -4.90 115.26 104.61 1hsh n ASN 61 Ca -0.06 -0.53 -0.38 0.00 1.68 0.00 0.00 54.58 55.29 1hsh n ASN 61 Cb 0.59 -4.90 -0.06 0.00 -1.54 0.00 0.00 39.78 33.86 1hsh n ASN 61 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1hsh s VAL 62 N -3.31 5.19 -0.27 2.41 1.01 0.07 -4.73 120.40 120.77 1hsh s VAL 62 Ca 0.53 0.93 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 1hsh s VAL 62 Cb -0.23 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1hsh s VAL 62 CO 0.71 0.34 1.13 -0.70 0.00 0.00 0.00 175.10 176.57 1hsh s GLU 63 N 0.55 4.12 -0.09 2.72 2.12 -1.26 0.17 118.70 127.03 1hsh s GLU 63 Ca 0.25 1.26 0.01 0.00 0.36 0.00 0.00 54.97 56.86 1hsh s GLU 63 Cb -0.15 -3.74 -0.02 0.00 0.26 0.00 0.00 34.13 30.48 1hsh s GLU 63 CO 0.10 -0.83 -0.13 0.42 -0.54 0.00 0.00 175.26 174.28 1hsh s ILE 64 N 3.62 3.12 -0.21 -3.70 1.09 0.59 -1.20 121.20 124.52 1hsh s ILE 64 Ca 0.48 -0.67 0.00 0.00 -1.10 0.00 0.00 60.65 59.37 1hsh s ILE 64 Cb -0.15 -2.27 0.05 0.00 -1.06 0.00 0.00 42.46 39.03 1hsh s ILE 64 CO 0.14 0.56 -0.06 -0.70 -0.10 0.00 0.00 174.94 174.77 1hsh s GLU 65 N -0.21 1.67 -0.06 2.79 2.12 0.58 -1.40 118.70 124.19 1hsh s GLU 65 Ca 0.01 -0.82 -0.13 0.00 0.36 0.00 0.00 54.97 54.39 1hsh s GLU 65 Cb -0.13 -2.39 0.02 0.00 0.26 0.00 0.00 34.13 31.89 1hsh s GLU 65 CO 0.03 -0.51 0.30 0.54 -0.54 0.00 0.00 175.26 175.08 1hsh s VAL 66 N 1.46 0.04 -1.80 3.70 0.11 -0.96 0.64 120.40 123.59 1hsh s VAL 66 Ca -0.03 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 1hsh s VAL 66 Cb -0.17 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 1hsh s VAL 66 CO -0.07 -0.16 0.00 0.18 -3.33 0.00 0.00 175.10 171.72 1hsh n LEU 67 N 1.98 -1.91 0.00 2.54 4.77 -1.26 -1.65 117.00 121.47 1hsh n LEU 67 Ca -0.18 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1hsh n LEU 67 Cb 0.57 -2.93 0.00 0.00 -2.33 0.00 0.00 43.42 38.73 1hsh n LEU 67 CO 0.19 -0.26 0.00 0.59 -1.33 0.00 0.00 177.39 176.58 1hsh n ASN 68 N -1.98 0.00 -4.90 -1.43 4.13 -1.26 -4.99 115.26 104.83 1hsh n ASN 68 Ca -0.24 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 55.74 1hsh n ASN 68 Cb 0.69 -0.83 0.00 0.00 -1.54 0.00 0.00 39.78 38.10 1hsh n ASN 68 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1hsh s LYS 69 N -0.16 3.53 -0.08 3.52 1.02 -0.66 -5.10 119.74 121.82 1hsh s LYS 69 Ca 0.00 0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.25 1hsh s LYS 69 Cb 0.00 -2.34 0.02 0.00 -0.52 0.00 0.00 37.83 34.99 1hsh s LYS 69 CO 0.00 -0.26 -0.07 0.21 -0.92 0.00 0.00 175.35 174.32 1hsh s LYS 70 N -4.80 1.26 0.12 1.68 2.20 -1.26 -2.26 119.74 116.68 1hsh s LYS 70 Ca 0.48 -0.20 0.05 0.00 -0.36 0.00 0.00 55.97 55.95 1hsh s LYS 70 Cb -0.10 -1.28 -0.04 0.00 -1.51 0.00 0.00 37.83 34.90 1hsh s LYS 70 CO 0.46 -0.16 -0.12 0.14 -0.36 0.00 0.00 175.35 175.30 1hsh s VAL 71 N 1.34 1.18 -0.13 4.02 -7.23 -0.49 -5.01 120.40 114.09 1hsh s VAL 71 Ca -0.03 -1.73 -0.06 0.00 -1.81 0.00 0.00 61.98 58.35 1hsh s VAL 71 Cb -0.14 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 1hsh s VAL 71 CO -0.03 -0.50 0.10 -0.13 -0.31 0.00 0.00 175.10 174.22 1hsh s ARG 72 N -2.84 3.45 0.09 4.82 0.52 -1.26 -0.30 118.95 123.44 1hsh s ARG 72 Ca 0.09 -0.23 -0.09 0.00 -0.52 0.00 0.00 55.73 54.98 1hsh s ARG 72 Cb -0.03 -3.11 -0.00 0.00 0.52 0.00 0.00 34.95 32.32 1hsh s ARG 72 CO 0.02 0.66 0.19 0.00 0.02 0.00 0.00 175.30 176.19 1hsh s ALA 73 N -0.72 -0.21 0.01 2.13 0.00 0.13 -4.80 121.76 118.29 1hsh s ALA 73 Ca 0.13 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 51.17 1hsh s ALA 73 Cb -0.12 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1hsh s ALA 73 CO 0.03 -0.51 0.91 0.99 0.00 0.00 0.00 175.76 177.17 1hsh s THR 74 N -3.86 4.82 0.01 0.00 2.01 -1.26 -0.75 115.64 116.61 1hsh s THR 74 Ca 0.05 1.91 0.02 0.00 0.31 0.00 0.00 61.69 63.98 1hsh s THR 74 Cb 0.05 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.30 1hsh s THR 74 CO -0.11 0.23 -0.06 -0.51 -0.69 0.00 0.00 174.62 173.48 1hsh s ILE 75 N 0.68 0.43 0.06 1.82 2.07 -0.26 -4.71 121.20 121.29 1hsh s ILE 75 Ca 0.47 -0.55 0.01 0.00 -1.41 0.00 0.00 60.65 59.18 1hsh s ILE 75 Cb -0.21 -0.43 -0.04 0.00 0.13 0.00 0.00 42.46 41.91 1hsh s ILE 75 CO 0.26 -0.09 0.12 -0.04 -1.91 0.00 0.00 174.94 173.28 1hsh s MET 76 N -0.69 3.09 -0.08 3.50 -1.94 -0.72 -1.21 119.30 121.25 1hsh s MET 76 Ca -0.03 -0.57 0.02 0.00 -1.71 0.00 0.00 55.69 53.40 1hsh s MET 76 Cb -0.05 -2.85 -0.02 0.00 2.01 0.00 0.00 34.83 33.91 1hsh s MET 76 CO 0.00 0.60 -0.14 0.95 -0.01 0.00 0.00 175.02 176.42 1hsh s THR 77 N -1.39 3.05 0.16 2.05 -4.23 0.13 -0.95 115.64 114.47 1hsh s THR 77 Ca 0.30 -0.70 -0.25 0.00 -1.18 0.00 0.00 61.69 59.86 1hsh s THR 77 Cb -0.12 -2.22 0.06 0.00 1.34 0.00 0.00 72.50 71.55 1hsh s THR 77 CO 0.22 0.57 0.93 -0.83 -0.54 0.00 0.00 174.62 174.96 1hsh s GLY 78 N -0.32 -0.22 -1.12 3.99 0.00 -0.81 -0.32 107.32 108.52 1hsh s GLY 78 Ca 0.03 0.10 -0.22 0.00 0.00 0.00 0.00 44.72 44.62 1hsh s GLY 78 CO 0.03 0.00 1.86 -0.35 0.00 0.00 0.00 173.10 174.63 1hsh s ASP 79 N -2.92 5.51 0.02 1.64 2.15 -1.26 -4.01 116.67 117.79 1hsh s ASP 79 Ca 0.12 -1.53 0.08 0.00 0.43 0.00 0.00 52.55 51.65 1hsh s ASP 79 Cb -0.02 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 40.00 1hsh s ASP 79 CO 0.02 -2.52 -0.24 0.28 -0.17 0.00 0.00 175.17 172.54 1hsh s THR 80 N 9.05 2.29 0.57 1.71 -1.32 -1.26 -5.01 115.64 121.67 1hsh s THR 80 Ca 0.64 -1.24 0.41 0.00 -1.21 0.00 0.00 61.69 60.30 1hsh s THR 80 Cb -0.01 -1.88 0.43 0.00 -1.51 0.00 0.00 72.50 69.52 1hsh s THR 80 CO 0.07 0.43 2.30 -0.65 -2.21 0.00 0.00 174.62 174.56 1hsh h PRO 81 N 4.97 0.00 -1.41 7.08 0.11 -1.99 -3.45 132.00 137.31 1hsh h PRO 81 Ca -0.46 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.77 1hsh h PRO 81 Cb 1.14 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.98 1hsh h PRO 81 CO 0.46 0.01 0.63 -1.50 -0.21 0.00 0.00 178.00 177.39 1hsh s ILE 82 N -4.13 0.00 -0.07 4.15 2.07 -1.26 -5.14 121.20 116.82 1hsh s ILE 82 Ca -0.04 0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 58.99 1hsh s ILE 82 Cb 0.13 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.67 1hsh s ILE 82 CO 0.45 0.00 0.59 0.20 -1.91 0.00 0.00 174.94 174.27 1hsh s ASN 83 N -0.36 6.87 -0.16 4.50 0.01 -1.26 -4.88 114.94 119.65 1hsh s ASN 83 Ca 0.03 1.04 -0.01 0.00 -0.71 0.00 0.00 52.86 53.21 1hsh s ASN 83 Cb -0.03 -2.35 -0.01 0.00 0.41 0.00 0.00 41.25 39.27 1hsh s ASN 83 CO -0.06 -0.01 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.77 1hsh s ILE 84 N 0.48 2.99 -0.47 0.60 1.01 0.53 -0.26 121.20 126.08 1hsh s ILE 84 Ca 0.31 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 60.18 1hsh s ILE 84 Cb -0.17 -2.29 0.09 0.00 0.01 0.00 0.00 42.46 40.10 1hsh s ILE 84 CO 0.15 0.50 0.37 -0.36 0.00 0.00 0.00 174.94 175.59 1hsh s PHE 85 N 0.79 3.30 0.00 3.97 0.40 -0.12 -1.51 117.98 124.81 1hsh s PHE 85 Ca -0.04 -1.30 0.00 0.00 -0.60 0.00 0.00 56.93 54.99 1hsh s PHE 85 Cb -0.15 -3.26 0.00 0.00 0.51 0.00 0.00 43.02 40.12 1hsh s PHE 85 CO 0.01 -0.88 0.00 0.41 0.70 0.00 0.00 175.22 175.46 1hsh n GLY 86 N 5.08 0.73 0.26 4.36 0.00 -1.07 -1.41 105.19 113.14 1hsh n GLY 86 Ca -0.11 -1.89 0.15 0.00 0.00 0.00 0.00 46.02 44.16 1hsh n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hsh h ARG 87 N 0.00 0.00 -0.21 1.61 3.08 0.10 -2.08 114.38 116.88 1hsh h ARG 87 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1hsh h ARG 87 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1hsh h ARG 87 CO 0.00 0.08 -0.16 -2.95 -1.07 0.00 0.00 179.97 175.88 1hsh h ASN 88 N 0.00 0.34 0.20 7.04 -1.07 -1.76 -2.31 115.58 118.01 1hsh h ASN 88 Ca -0.00 -0.09 -0.35 0.00 0.07 0.00 0.00 56.30 55.94 1hsh h ASN 88 Cb 0.57 -0.09 -0.04 0.00 -2.07 0.00 0.00 38.32 36.68 1hsh h ASN 88 CO 0.01 0.52 -2.04 -0.38 0.07 0.00 0.00 177.43 175.61 1hsh n ILE 89 N -4.21 1.64 -0.33 6.14 5.41 -0.81 -3.80 119.36 123.39 1hsh n ILE 89 Ca -0.00 -0.71 0.01 0.00 1.00 0.00 0.00 62.75 63.05 1hsh n ILE 89 Cb 0.31 -1.33 0.18 0.00 -0.71 0.00 0.00 39.64 38.10 1hsh n ILE 89 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1hsh h LEU 90 N 0.03 1.02 -0.38 1.39 4.07 -1.46 -0.76 115.31 119.21 1hsh h LEU 90 Ca -0.43 -0.01 -0.14 0.00 0.08 0.00 0.00 57.88 57.38 1hsh h LEU 90 Cb 2.03 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 43.53 1hsh h LEU 90 CO 0.05 0.70 -0.32 0.71 -1.08 0.00 0.00 178.44 178.50 1hsh h THR 91 N 1.18 1.28 -0.09 0.22 1.35 -1.60 -1.36 112.91 113.88 1hsh h THR 91 Ca 0.37 -1.49 0.03 0.00 -0.55 0.00 0.00 66.41 64.77 1hsh h THR 91 Cb 0.01 1.37 -0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1hsh h THR 91 CO -0.11 0.50 0.07 0.00 -0.25 0.00 0.00 175.52 175.72 1hsh h ALA 92 N 0.78 2.01 0.22 6.62 0.00 -1.44 -2.36 119.26 125.08 1hsh h ALA 92 Ca 0.07 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.64 1hsh h ALA 92 Cb 0.90 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.73 1hsh h ALA 92 CO 0.08 -0.12 -1.56 -0.07 0.00 0.00 0.00 179.25 177.59 1hsh h LEU 93 N 0.00 0.72 0.00 0.00 3.38 -0.76 -3.48 115.31 115.16 1hsh h LEU 93 Ca 0.04 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.15 1hsh h LEU 93 Cb 0.18 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1hsh h LEU 93 CO -0.00 1.70 0.00 0.61 0.09 0.00 0.00 178.44 180.84 1hsh n GLY 94 N 1.75 1.33 3.77 0.83 0.00 -0.66 -5.10 105.19 107.11 1hsh n GLY 94 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1hsh n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1hsh s MET 95 N -0.35 4.20 0.18 1.61 -1.94 -0.61 -5.03 119.30 117.37 1hsh s MET 95 Ca 0.00 2.08 -0.00 0.00 -1.71 0.00 0.00 55.69 56.06 1hsh s MET 95 Cb 0.00 -2.90 -0.04 0.00 2.01 0.00 0.00 34.83 33.90 1hsh s MET 95 CO 0.00 -0.27 0.08 -1.54 -0.01 0.00 0.00 175.02 173.28 1hsh s SER 96 N -0.74 0.53 -0.13 3.03 1.04 -1.26 -4.64 113.70 111.53 1hsh s SER 96 Ca 0.53 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1hsh s SER 96 Cb -0.37 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.05 1hsh s SER 96 CO 0.47 -0.75 -0.12 -0.22 0.98 0.00 0.00 173.24 173.61 1hsh s LEU 97 N -3.15 1.51 -0.15 2.42 2.96 -1.26 -5.11 118.68 115.90 1hsh s LEU 97 Ca 0.32 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1hsh s LEU 97 Cb 0.07 -1.04 -0.01 0.00 0.50 0.00 0.00 46.19 45.71 1hsh s LEU 97 CO 0.08 -0.07 -0.12 0.20 -1.32 0.00 0.00 176.35 175.11 1hsh s ASN 98 N 1.49 3.95 0.00 3.68 -0.87 -1.26 -5.30 114.94 116.62 1hsh s ASN 98 Ca 0.03 -0.38 0.00 0.00 -1.57 0.00 0.00 52.86 50.94 1hsh s ASN 98 Cb -0.13 -1.61 0.00 0.00 -0.02 0.00 0.00 41.25 39.49 1hsh s ASN 98 CO -0.08 0.11 0.00 -0.11 -2.57 0.00 0.00 177.10 174.45