#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 0.30 -0.16 -0.52 0.74 -1.26 -5.14 119.66 113.62 1hsh s GLN 2 Ca 0.00 0.46 0.00 0.00 0.05 0.00 0.00 55.36 55.87 1hsh s GLN 2 Cb 0.00 0.06 0.00 0.00 1.10 0.00 0.00 33.01 34.17 1hsh s GLN 2 CO 0.00 -0.08 -0.15 -0.06 -0.55 0.00 0.00 175.29 174.44 1hsh s PHE 3 N 0.57 2.79 -2.13 1.67 0.40 -1.26 -5.01 117.98 115.01 1hsh s PHE 3 Ca -0.03 -1.09 0.18 0.00 -0.60 0.00 0.00 56.93 55.38 1hsh s PHE 3 Cb -0.05 -1.90 0.18 0.00 0.51 0.00 0.00 43.02 41.76 1hsh s PHE 3 CO -0.03 -0.51 1.10 0.43 0.70 0.00 0.00 175.22 176.91 1hsh n SER 4 N 4.14 2.59 0.00 1.36 7.64 -1.26 -4.97 113.62 123.11 1hsh n SER 4 Ca -0.19 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 57.92 1hsh n SER 4 Cb 0.52 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1hsh n SER 4 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1hsh n LEU 5 N 1.01 0.35 0.13 -3.43 7.99 -1.26 -4.85 117.00 116.93 1hsh n LEU 5 Ca 0.11 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 56.10 1hsh n LEU 5 Cb 0.45 -1.10 0.13 0.00 -0.11 0.00 0.00 43.42 42.79 1hsh n LEU 5 CO 0.11 -0.32 0.45 -0.50 -1.51 0.00 0.00 177.39 175.62 1hsh h TRP 6 N 0.00 0.00 -1.65 -1.77 4.06 -2.04 -3.42 115.95 111.13 1hsh h TRP 6 Ca 0.00 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.35 1hsh h TRP 6 Cb 0.30 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 28.35 1hsh h TRP 6 CO 0.19 0.65 -0.56 -1.59 -3.56 0.00 0.00 178.44 173.57 1hsh s LYS 7 N -3.37 2.07 0.34 0.49 -2.85 -1.26 -5.11 119.74 110.04 1hsh s LYS 7 Ca -0.00 -1.99 -0.29 0.00 -1.00 0.00 0.00 55.97 52.69 1hsh s LYS 7 Cb 0.11 -1.79 -0.12 0.00 -2.06 0.00 0.00 37.83 33.98 1hsh s LYS 7 CO 0.76 -0.07 1.49 0.54 0.10 0.00 0.00 175.35 178.18 1hsh n ARG 8 N -1.07 2.58 -2.32 1.78 1.74 -1.26 -4.86 116.66 113.25 1hsh n ARG 8 Ca -0.03 0.91 -0.35 0.00 -0.77 0.00 0.00 57.85 57.61 1hsh n ARG 8 Cb 0.66 -2.64 -0.03 0.00 -1.02 0.00 0.00 32.46 29.43 1hsh n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1hsh s PRO 9 N -1.51 3.18 -0.01 5.56 0.04 -1.26 -4.93 135.00 136.07 1hsh s PRO 9 Ca 0.57 -1.17 0.03 0.00 0.04 0.00 0.00 61.00 60.48 1hsh s PRO 9 Cb -0.50 -5.31 -0.03 0.00 0.04 0.00 0.00 34.50 28.70 1hsh s PRO 9 CO 0.58 -2.94 -0.06 0.08 0.04 0.00 0.00 177.00 174.71 1hsh s VAL 10 N 7.48 3.72 0.05 -0.36 1.01 -1.26 -0.84 120.40 130.19 1hsh s VAL 10 Ca 0.59 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.72 1hsh s VAL 10 Cb -0.01 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.79 1hsh s VAL 10 CO 0.03 0.42 0.31 0.68 0.00 0.00 0.00 175.10 176.54 1hsh s VAL 11 N -0.98 0.08 -0.40 2.92 -7.23 -0.58 -4.97 120.40 109.25 1hsh s VAL 11 Ca 0.17 -0.67 -0.22 0.00 -1.81 0.00 0.00 61.98 59.45 1hsh s VAL 11 Cb -0.11 -0.96 0.01 0.00 0.56 0.00 0.00 36.38 35.88 1hsh s VAL 11 CO 0.07 -0.37 0.71 0.28 -0.31 0.00 0.00 175.10 175.48 1hsh s THR 12 N -2.65 4.78 0.67 5.32 -1.32 -1.26 -0.36 115.64 120.82 1hsh s THR 12 Ca -0.04 0.51 -0.10 0.00 -1.21 0.00 0.00 61.69 60.85 1hsh s THR 12 Cb -0.01 -4.19 0.01 0.00 -1.51 0.00 0.00 72.50 66.80 1hsh s THR 12 CO -0.04 -0.50 1.04 0.00 -2.21 0.00 0.00 174.62 172.91 1hsh s ALA 13 N 2.97 3.02 -0.26 11.08 0.00 -0.40 -4.72 121.76 133.45 1hsh s ALA 13 Ca 0.27 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.85 1hsh s ALA 13 Cb -0.13 -2.92 0.06 0.00 0.00 0.00 0.00 23.12 20.13 1hsh s ALA 13 CO 0.18 -1.01 -0.09 0.71 0.00 0.00 0.00 175.76 175.55 1hsh s TYR 14 N -3.25 3.16 -0.75 0.00 1.51 0.30 -2.10 117.35 116.22 1hsh s TYR 14 Ca 0.57 -2.28 -0.09 0.00 -1.01 0.00 0.00 57.07 54.26 1hsh s TYR 14 Cb -0.11 -1.92 0.20 0.00 -0.11 0.00 0.00 41.96 40.01 1hsh s TYR 14 CO 0.50 -0.87 0.64 0.42 -1.11 0.00 0.00 175.55 175.13 1hsh s ILE 15 N 1.13 4.76 -0.21 2.71 1.01 -0.18 0.00 121.20 130.43 1hsh s ILE 15 Ca -0.08 -2.78 -0.01 0.00 0.00 0.00 0.00 60.65 57.79 1hsh s ILE 15 Cb -0.20 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.27 1hsh s ILE 15 CO -0.05 -0.97 0.18 -0.62 0.00 0.00 0.00 174.94 173.47 1hsh n GLU 16 N 3.64 -0.69 0.00 2.79 -0.58 -0.22 -4.08 120.64 121.49 1hsh n GLU 16 Ca 0.12 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 1hsh n GLU 16 Cb 0.42 -2.58 0.00 0.00 -0.57 0.00 0.00 31.44 28.71 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 -1.31 1.04 3.63 0.62 0.00 -1.26 -4.96 105.19 102.95 1hsh n GLY 17 Ca -0.03 -0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.52 1hsh n GLY 17 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1hsh n GLN 18 N 0.00 1.68 -2.86 1.61 7.27 -1.26 -4.77 117.38 119.05 1hsh n GLN 18 Ca 0.00 0.60 -0.33 0.00 0.07 0.00 0.00 57.00 57.34 1hsh n GLN 18 Cb 0.00 -2.19 -0.07 0.00 2.41 0.00 0.00 30.24 30.39 1hsh n GLN 18 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1hsh s PRO 19 N -0.43 4.21 -0.28 3.69 0.02 -1.26 -1.01 135.00 139.94 1hsh s PRO 19 Ca 0.70 1.07 -0.20 0.00 0.02 0.00 0.00 61.00 62.59 1hsh s PRO 19 Cb -0.73 -2.23 0.10 0.00 0.02 0.00 0.00 34.50 31.67 1hsh s PRO 19 CO 0.51 0.00 0.84 0.54 -0.33 0.00 0.00 177.00 178.56 1hsh s VAL 20 N -2.14 0.00 -0.03 3.83 0.11 -0.89 -4.95 120.40 116.33 1hsh s VAL 20 Ca 0.61 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.36 1hsh s VAL 20 Cb -0.09 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.70 1hsh s VAL 20 CO 0.14 0.00 1.53 -1.61 -3.33 0.00 0.00 175.10 171.83 1hsh s GLU 21 N 0.98 4.22 -0.02 1.54 2.02 -1.26 -1.27 118.70 124.91 1hsh s GLU 21 Ca -0.05 2.09 0.05 0.00 0.02 0.00 0.00 54.97 57.07 1hsh s GLU 21 Cb -0.05 -3.77 -0.01 0.00 0.10 0.00 0.00 34.13 30.41 1hsh s GLU 21 CO -0.11 -0.73 -0.16 0.14 0.02 0.00 0.00 175.26 174.42 1hsh s VAL 22 N 3.24 1.28 0.03 2.63 -7.23 0.51 -4.47 120.40 116.39 1hsh s VAL 22 Ca 0.68 -0.67 -0.27 0.00 -1.81 0.00 0.00 61.98 59.91 1hsh s VAL 22 Cb -0.32 -1.08 -0.05 0.00 0.56 0.00 0.00 36.38 35.49 1hsh s VAL 22 CO 0.27 0.37 0.87 -0.22 -0.31 0.00 0.00 175.10 176.08 1hsh s LEU 23 N -0.21 4.42 -0.37 1.32 2.96 0.06 -1.53 118.68 125.33 1hsh s LEU 23 Ca 0.03 1.56 -0.20 0.00 -0.22 0.00 0.00 54.13 55.29 1hsh s LEU 23 Cb -0.08 -3.40 0.01 0.00 0.50 0.00 0.00 46.19 43.22 1hsh s LEU 23 CO 0.00 -0.11 0.62 -0.76 -1.32 0.00 0.00 176.35 174.79 1hsh s LEU 24 N 0.41 4.32 -0.31 -0.68 1.43 -0.02 -0.27 118.68 123.56 1hsh s LEU 24 Ca 0.44 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 1hsh s LEU 24 Cb -0.21 -2.75 0.10 0.00 0.03 0.00 0.00 46.19 43.36 1hsh s LEU 24 CO 0.25 -0.62 0.07 -0.62 0.23 0.00 0.00 176.35 175.66 1hsh s ASP 25 N 1.84 4.23 0.33 2.29 -1.08 0.33 -4.78 116.67 119.82 1hsh s ASP 25 Ca 0.23 -1.76 0.26 0.00 -0.52 0.00 0.00 52.55 50.77 1hsh s ASP 25 Cb -0.14 -1.12 1.06 0.00 -1.46 0.00 0.00 42.92 41.25 1hsh s ASP 25 CO 0.16 -0.39 1.78 0.71 0.52 0.00 0.00 175.17 177.95 1hsh h THR 26 N 6.54 0.00 -0.01 1.71 1.35 -1.94 -2.51 112.91 118.06 1hsh h THR 26 Ca -0.11 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1hsh h THR 26 Cb 1.02 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1hsh h THR 26 CO 0.48 0.00 -0.20 0.61 -0.25 0.00 0.00 175.52 176.16 1hsh n GLY 27 N 0.09 -0.65 3.78 5.82 0.00 -1.26 -4.81 105.19 108.16 1hsh n GLY 27 Ca 0.02 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.45 3.67 0.11 4.61 0.00 -0.95 -4.97 121.76 121.78 1hsh s ALA 28 Ca 0.27 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 1hsh s ALA 28 Cb 0.20 -1.90 -0.17 0.00 0.00 0.00 0.00 23.12 21.25 1hsh s ALA 28 CO 0.49 0.48 1.23 -0.44 0.00 0.00 0.00 175.76 177.53 1hsh h ASP 29 N 5.52 0.52 -1.95 0.00 3.32 -1.87 0.20 116.42 122.16 1hsh h ASP 29 Ca -0.49 -0.47 -0.59 0.00 0.02 0.00 0.00 57.03 55.50 1hsh h ASP 29 Cb 1.20 -0.16 -0.13 0.00 0.22 0.00 0.00 39.33 40.46 1hsh h ASP 29 CO 0.62 1.30 -0.56 -1.81 -1.72 0.00 0.00 179.24 177.07 1hsh s ASP 30 N -7.13 3.38 -0.10 6.45 1.01 -1.26 -3.13 116.67 115.88 1hsh s ASP 30 Ca -0.05 -1.52 0.02 0.00 0.71 0.00 0.00 52.55 51.71 1hsh s ASP 30 Cb 0.08 0.13 -0.01 0.00 1.01 0.00 0.00 42.92 44.12 1hsh s ASP 30 CO 0.88 -0.70 -0.16 -0.44 0.21 0.00 0.00 175.17 174.96 1hsh s SER 31 N -3.69 3.81 -0.06 0.27 0.01 -1.26 -3.09 113.70 109.70 1hsh s SER 31 Ca 0.25 -0.35 0.03 0.00 1.31 0.00 0.00 55.95 57.18 1hsh s SER 31 Cb 0.06 -1.38 0.01 0.00 0.21 0.00 0.00 66.02 64.92 1hsh s SER 31 CO 0.12 0.20 -0.13 -0.63 0.41 0.00 0.00 173.24 173.21 1hsh s ILE 32 N 0.11 1.21 0.02 1.44 -1.09 -0.88 -1.12 121.20 120.89 1hsh s ILE 32 Ca -0.07 -0.53 0.07 0.00 -2.23 0.00 0.00 60.65 57.88 1hsh s ILE 32 Cb -0.15 -1.09 -0.02 0.00 -1.58 0.00 0.00 42.46 39.61 1hsh s ILE 32 CO 0.05 0.37 -0.20 0.68 -1.23 0.00 0.00 174.94 174.61 1hsh s VAL 33 N 0.56 1.62 0.06 2.92 -7.23 -0.14 -0.90 120.40 117.29 1hsh s VAL 33 Ca -0.14 -1.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.98 1hsh s VAL 33 Cb -0.15 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 1hsh s VAL 33 CO 0.04 0.29 0.15 0.00 -0.31 0.00 0.00 175.10 175.27 1hsh s ALA 34 N -0.68 3.80 -1.10 1.32 0.00 -1.26 -2.62 121.76 121.23 1hsh s ALA 34 Ca 0.07 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1hsh s ALA 34 Cb -0.08 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1hsh s ALA 34 CO 0.01 0.79 0.00 0.41 0.00 0.00 0.00 175.76 176.96 1hsh n GLY 35 N 0.43 0.64 3.53 0.00 0.00 -1.26 -5.01 105.19 103.52 1hsh n GLY 35 Ca -0.07 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.49 2.91 -0.12 -0.61 1.01 -1.26 -5.14 121.20 115.49 1hsh s ILE 36 Ca 0.00 -1.93 0.02 0.00 0.00 0.00 0.00 60.65 58.74 1hsh s ILE 36 Cb 0.00 -2.47 0.02 0.00 0.01 0.00 0.00 42.46 40.02 1hsh s ILE 36 CO 0.00 -0.21 -0.16 -0.70 0.00 0.00 0.00 174.94 173.87 1hsh s GLU 37 N -3.05 2.38 0.00 2.79 2.12 -1.26 -5.00 118.70 116.67 1hsh s GLU 37 Ca 0.26 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.98 1hsh s GLU 37 Cb -0.07 -2.04 -0.00 0.00 0.26 0.00 0.00 34.13 32.28 1hsh s GLU 37 CO 0.15 -0.10 0.20 1.28 -0.54 0.00 0.00 175.26 176.25 1hsh n LEU 38 N 4.31 0.40 0.00 2.70 4.77 -1.26 -5.12 117.00 122.80 1hsh n LEU 38 Ca -0.19 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 1hsh n LEU 38 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1hsh n LEU 38 CO 0.24 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1hsh n GLY 39 N 0.60 -1.05 0.91 -0.72 0.00 -1.26 -4.69 105.19 98.98 1hsh n GLY 39 Ca 0.00 -2.12 0.12 0.00 0.00 0.00 0.00 46.02 44.02 1hsh n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hsh n ASN 40 N 0.00 2.79 -4.14 1.61 3.02 -1.26 -4.67 115.26 112.61 1hsh n ASN 40 Ca 0.00 -1.89 -0.38 0.00 -0.03 0.00 0.00 54.58 52.27 1hsh n ASN 40 Cb 0.00 -0.10 -0.07 0.00 -0.61 0.00 0.00 39.78 38.99 1hsh n ASN 40 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1hsh s ASN 41 N -1.77 5.68 0.26 6.41 2.47 -1.26 -5.01 114.94 121.72 1hsh s ASN 41 Ca 0.34 -3.00 0.01 0.00 0.42 0.00 0.00 52.86 50.63 1hsh s ASN 41 Cb 0.21 -1.94 -0.04 0.00 -1.45 0.00 0.00 41.25 38.03 1hsh s ASN 41 CO 0.31 -0.37 0.13 -0.72 -3.72 0.00 0.00 177.10 172.73 1hsh s TYR 42 N -0.29 1.46 -0.07 0.43 1.13 -1.26 -4.73 117.35 114.01 1hsh s TYR 42 Ca 0.19 -1.32 0.01 0.00 -1.41 0.00 0.00 57.07 54.54 1hsh s TYR 42 Cb -0.16 -0.78 -0.03 0.00 -1.10 0.00 0.00 41.96 39.90 1hsh s TYR 42 CO -0.06 -0.51 -0.09 -1.12 -2.51 0.00 0.00 175.55 171.26 1hsh s SER 43 N -3.29 4.49 -0.21 -0.18 0.01 -0.30 -4.87 113.70 109.34 1hsh s SER 43 Ca 0.38 -0.08 -0.29 0.00 1.31 0.00 0.00 55.95 57.26 1hsh s SER 43 Cb 0.06 -1.17 -0.02 0.00 0.21 0.00 0.00 66.02 65.11 1hsh s SER 43 CO 0.15 0.33 1.51 -2.16 0.41 0.00 0.00 173.24 173.49 1hsh s PRO 44 N -0.64 3.91 0.26 12.44 0.04 -1.26 -0.97 135.00 148.77 1hsh s PRO 44 Ca 0.10 1.63 0.12 0.00 0.04 0.00 0.00 61.00 62.88 1hsh s PRO 44 Cb -0.11 -3.97 -0.05 0.00 0.04 0.00 0.00 34.50 30.41 1hsh s PRO 44 CO 0.02 -1.14 -0.20 0.15 0.04 0.00 0.00 177.00 175.86 1hsh s LYS 45 N 4.37 1.66 -0.08 4.56 -0.14 -0.48 -4.98 119.74 124.65 1hsh s LYS 45 Ca 0.66 -1.70 0.02 0.00 -1.36 0.00 0.00 55.97 53.59 1hsh s LYS 45 Cb -0.24 -1.80 0.02 0.00 -1.68 0.00 0.00 37.83 34.13 1hsh s LYS 45 CO 0.26 0.35 -0.11 -1.50 -0.76 0.00 0.00 175.35 173.59 1hsh s ILE 46 N -2.30 1.15 0.10 2.17 2.07 -1.26 0.13 121.20 123.26 1hsh s ILE 46 Ca 0.28 -0.45 0.10 0.00 -1.41 0.00 0.00 60.65 59.17 1hsh s ILE 46 Cb -0.06 -1.08 -0.04 0.00 0.13 0.00 0.00 42.46 41.42 1hsh s ILE 46 CO 0.14 0.37 -0.26 0.68 -1.91 0.00 0.00 174.94 173.95 1hsh s VAL 47 N 0.94 2.17 -0.14 4.00 -7.23 0.08 -4.95 120.40 115.27 1hsh s VAL 47 Ca -0.09 -1.61 -0.05 0.00 -1.81 0.00 0.00 61.98 58.42 1hsh s VAL 47 Cb -0.15 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 1hsh s VAL 47 CO 0.00 0.18 0.03 -0.83 -0.31 0.00 0.00 175.10 174.17 1hsh s GLY 48 N -1.75 1.87 0.00 2.32 0.00 -1.26 -1.38 107.32 107.13 1hsh s GLY 48 Ca 0.13 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.08 1hsh s GLY 48 CO 0.04 -0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.56 1hsh n GLY 49 N 2.97 5.01 0.12 0.20 0.00 0.26 -5.00 105.19 108.75 1hsh n GLY 49 Ca -0.18 -1.92 -0.18 0.00 0.00 0.00 0.00 46.02 43.75 1hsh n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1hsh h ILE 50 N 0.00 1.20 0.00 -0.61 3.07 -2.03 -3.34 117.51 115.80 1hsh h ILE 50 Ca 0.00 -2.81 0.00 0.00 1.55 0.00 0.00 64.86 63.60 1hsh h ILE 50 Cb 0.00 2.81 0.00 0.00 -0.27 0.00 0.00 36.82 39.36 1hsh h ILE 50 CO 0.00 0.83 -0.11 0.61 -1.05 0.00 0.00 178.15 178.43 1hsh n GLY 51 N 1.67 -1.59 0.00 0.16 0.00 -1.26 -5.04 105.19 99.12 1hsh n GLY 51 Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 1.37 -0.10 3.72 -0.02 0.00 -1.25 -5.13 105.19 103.77 1hsh n GLY 52 Ca 0.06 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.96 3.14 0.15 1.61 0.40 -1.26 -0.57 117.98 118.48 1hsh s PHE 53 Ca 0.00 0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.47 1hsh s PHE 53 Cb 0.00 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1hsh s PHE 53 CO 0.00 0.49 -0.06 0.96 0.70 0.00 0.00 175.22 177.31 1hsh s ILE 54 N -1.14 0.91 0.05 0.64 -4.36 -0.48 -4.98 121.20 111.85 1hsh s ILE 54 Ca 0.21 -2.01 -0.28 0.00 -0.26 0.00 0.00 60.65 58.32 1hsh s ILE 54 Cb -0.12 -1.92 -0.05 0.00 1.25 0.00 0.00 42.46 41.62 1hsh s ILE 54 CO 0.12 -0.67 0.88 0.20 0.24 0.00 0.00 174.94 175.71 1hsh s ASN 55 N -3.15 7.33 0.24 4.36 0.01 -1.26 -0.74 114.94 121.73 1hsh s ASN 55 Ca 0.18 1.60 0.06 0.00 -0.71 0.00 0.00 52.86 54.00 1hsh s ASN 55 Cb 0.04 -2.53 -0.05 0.00 0.41 0.00 0.00 41.25 39.12 1hsh s ASN 55 CO 0.01 -0.08 -0.07 0.42 -1.51 0.00 0.00 177.10 175.86 1hsh s THR 56 N 0.26 1.50 -0.19 1.60 -4.23 0.12 -4.38 115.64 110.31 1hsh s THR 56 Ca 0.44 -2.12 -0.04 0.00 -1.18 0.00 0.00 61.69 58.79 1hsh s THR 56 Cb -0.21 -2.27 -0.02 0.00 1.34 0.00 0.00 72.50 71.33 1hsh s THR 56 CO 0.26 -0.42 -0.04 -0.54 -0.54 0.00 0.00 174.62 173.35 1hsh s LYS 57 N -3.74 3.50 -0.24 3.99 1.02 0.29 -1.38 119.74 123.19 1hsh s LYS 57 Ca 0.26 -0.58 -0.08 0.00 0.02 0.00 0.00 55.97 55.59 1hsh s LYS 57 Cb 0.03 -2.98 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 1hsh s LYS 57 CO 0.09 -0.01 0.10 -2.00 -0.92 0.00 0.00 175.35 172.61 1hsh s GLU 58 N 1.02 3.83 -0.20 1.68 2.12 -0.14 0.43 118.70 127.45 1hsh s GLU 58 Ca 0.01 -0.39 -0.02 0.00 0.36 0.00 0.00 54.97 54.92 1hsh s GLU 58 Cb -0.15 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 1hsh s GLU 58 CO 0.01 -0.06 -0.08 0.71 -0.54 0.00 0.00 175.26 175.30 1hsh s TYR 59 N 1.31 2.91 0.24 5.30 2.02 -0.22 -1.15 117.35 127.76 1hsh s TYR 59 Ca 0.06 -0.96 -0.08 0.00 -0.37 0.00 0.00 57.07 55.71 1hsh s TYR 59 Cb -0.15 -2.03 -0.07 0.00 -0.40 0.00 0.00 41.96 39.32 1hsh s TYR 59 CO 0.05 -0.51 0.54 0.15 -1.57 0.00 0.00 175.55 174.21 1hsh s LYS 60 N 1.21 3.74 -1.04 -0.62 1.02 -1.26 -0.71 119.74 122.09 1hsh s LYS 60 Ca 0.02 0.18 -0.05 0.00 0.02 0.00 0.00 55.97 56.14 1hsh s LYS 60 Cb -0.14 -2.66 0.01 0.00 -0.52 0.00 0.00 37.83 34.51 1hsh s LYS 60 CO -0.03 0.30 0.90 0.09 -0.92 0.00 0.00 175.35 175.69 1hsh n ASN 61 N -0.32 -4.57 -4.80 2.83 4.13 -1.08 -4.94 115.26 106.51 1hsh n ASN 61 Ca -0.00 -0.44 -0.39 0.00 1.68 0.00 0.00 54.58 55.43 1hsh n ASN 61 Cb 0.53 -4.11 -0.06 0.00 -1.54 0.00 0.00 39.78 34.60 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 -3.26 4.60 -0.21 2.41 1.01 0.24 -4.73 120.40 120.45 1hsh s VAL 62 Ca 0.34 1.38 -0.27 0.00 0.00 0.00 0.00 61.98 63.42 1hsh s VAL 62 Cb -0.15 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1hsh s VAL 62 CO 0.58 0.50 0.96 -0.70 0.00 0.00 0.00 175.10 176.44 1hsh s GLU 63 N -1.24 4.26 -0.08 2.72 2.12 -1.26 -1.26 118.70 123.96 1hsh s GLU 63 Ca 0.33 1.21 0.04 0.00 0.36 0.00 0.00 54.97 56.91 1hsh s GLU 63 Cb -0.20 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.56 1hsh s GLU 63 CO 0.22 -0.53 -0.22 0.42 -0.54 0.00 0.00 175.26 174.61 1hsh s ILE 64 N 2.85 1.85 -0.29 -3.70 1.09 0.92 -1.06 121.20 122.85 1hsh s ILE 64 Ca 0.41 -0.91 -0.05 0.00 -1.10 0.00 0.00 60.65 59.01 1hsh s ILE 64 Cb -0.16 -1.60 0.03 0.00 -1.06 0.00 0.00 42.46 39.67 1hsh s ILE 64 CO 0.08 0.52 0.04 -0.70 -0.10 0.00 0.00 174.94 174.78 1hsh s GLU 65 N 0.30 2.83 -0.03 2.79 -6.30 0.10 -0.14 118.70 118.25 1hsh s GLU 65 Ca -0.15 -1.02 0.03 0.00 -2.50 0.00 0.00 54.97 51.33 1hsh s GLU 65 Cb -0.17 -3.27 0.00 0.00 0.00 0.00 0.00 34.13 30.69 1hsh s GLU 65 CO 0.07 -0.51 -0.11 0.08 0.02 0.00 0.00 175.26 174.81 1hsh s VAL 66 N 1.40 0.91 -1.43 3.70 1.01 0.50 -0.54 120.40 125.95 1hsh s VAL 66 Ca -0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 1hsh s VAL 66 Cb -0.18 -0.80 0.03 0.00 0.00 0.00 0.00 36.38 35.43 1hsh s VAL 66 CO 0.00 0.28 1.04 0.18 0.00 0.00 0.00 175.10 176.60 1hsh n LEU 67 N 3.30 -3.02 0.00 3.92 4.77 -1.26 -0.46 117.00 124.24 1hsh n LEU 67 Ca -0.18 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1hsh n LEU 67 Cb 0.54 -2.87 0.00 0.00 -2.33 0.00 0.00 43.42 38.76 1hsh n LEU 67 CO 0.25 0.54 0.00 0.59 -1.33 0.00 0.00 177.39 177.43 1hsh n ASN 68 N -2.88 0.00 -4.84 -1.43 3.02 -1.26 -5.01 115.26 102.86 1hsh n ASN 68 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.23 1hsh n ASN 68 Cb 0.56 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.69 1hsh n ASN 68 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1hsh s LYS 69 N -0.04 3.97 -0.18 3.52 1.02 0.39 -5.07 119.74 123.35 1hsh s LYS 69 Ca 0.00 0.98 -0.02 0.00 0.02 0.00 0.00 55.97 56.95 1hsh s LYS 69 Cb 0.00 -2.14 0.05 0.00 -0.52 0.00 0.00 37.83 35.23 1hsh s LYS 69 CO 0.00 -0.26 0.01 0.15 -0.92 0.00 0.00 175.35 174.33 1hsh s LYS 70 N -3.98 0.87 0.14 1.68 1.02 -1.26 -0.37 119.74 117.84 1hsh s LYS 70 Ca 0.59 -0.44 0.06 0.00 0.02 0.00 0.00 55.97 56.21 1hsh s LYS 70 Cb -0.10 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 1hsh s LYS 70 CO 0.29 -0.57 -0.14 0.54 -0.92 0.00 0.00 175.35 174.56 1hsh s VAL 71 N 1.79 1.43 -0.12 3.17 0.11 0.80 -4.96 120.40 122.63 1hsh s VAL 71 Ca -0.01 -1.86 -0.18 0.00 -2.93 0.00 0.00 61.98 57.00 1hsh s VAL 71 Cb -0.16 -1.69 -0.04 0.00 -1.53 0.00 0.00 36.38 32.96 1hsh s VAL 71 CO -0.07 -0.48 0.48 -0.13 -3.33 0.00 0.00 175.10 171.57 1hsh s ARG 72 N -2.98 4.34 0.21 1.54 3.00 -1.26 -0.06 118.95 123.75 1hsh s ARG 72 Ca 0.13 0.46 -0.05 0.00 0.00 0.00 0.00 55.73 56.26 1hsh s ARG 72 Cb -0.03 -3.43 -0.03 0.00 0.00 0.00 0.00 34.95 31.46 1hsh s ARG 72 CO 0.04 0.16 0.25 0.00 0.00 0.00 0.00 175.30 175.75 1hsh s ALA 73 N 0.61 0.65 -0.20 2.13 0.00 -0.39 -4.84 121.76 119.73 1hsh s ALA 73 Ca 0.26 -1.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.65 1hsh s ALA 73 Cb -0.15 1.26 -0.04 0.00 0.00 0.00 0.00 23.12 24.19 1hsh s ALA 73 CO 0.10 -0.68 0.46 0.99 0.00 0.00 0.00 175.76 176.63 1hsh s THR 74 N -4.11 5.16 -0.05 0.00 2.01 -1.26 -0.60 115.64 116.79 1hsh s THR 74 Ca 0.33 0.83 0.06 0.00 0.31 0.00 0.00 61.69 63.21 1hsh s THR 74 Cb 0.04 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 1hsh s THR 74 CO 0.11 0.22 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.40 1hsh s ILE 75 N 1.42 1.87 0.11 1.82 -1.09 0.12 -4.60 121.20 120.85 1hsh s ILE 75 Ca 0.22 -0.96 0.03 0.00 -2.23 0.00 0.00 60.65 57.70 1hsh s ILE 75 Cb -0.15 -1.59 -0.04 0.00 -1.58 0.00 0.00 42.46 39.11 1hsh s ILE 75 CO 0.09 0.52 0.19 -0.04 -1.23 0.00 0.00 174.94 174.47 1hsh s MET 76 N -0.10 3.20 -0.15 2.79 -1.94 -0.27 -1.05 119.30 121.78 1hsh s MET 76 Ca -0.04 -0.64 -0.01 0.00 -1.71 0.00 0.00 55.69 53.29 1hsh s MET 76 Cb -0.13 -2.86 -0.01 0.00 2.01 0.00 0.00 34.83 33.83 1hsh s MET 76 CO 0.03 0.55 -0.11 0.99 -0.01 0.00 0.00 175.02 176.47 1hsh s THR 77 N -1.60 3.16 0.37 2.05 2.01 0.17 -0.97 115.64 120.82 1hsh s THR 77 Ca 0.33 -0.61 -0.13 0.00 0.31 0.00 0.00 61.69 61.58 1hsh s THR 77 Cb -0.12 -2.35 0.04 0.00 0.01 0.00 0.00 72.50 70.09 1hsh s THR 77 CO 0.26 0.51 0.72 -0.83 -0.69 0.00 0.00 174.62 174.58 1hsh s GLY 78 N 0.55 0.57 -1.22 4.40 0.00 -1.08 -0.55 107.32 110.00 1hsh s GLY 78 Ca -0.07 -0.88 -0.18 0.00 0.00 0.00 0.00 44.72 43.59 1hsh s GLY 78 CO 0.03 -0.44 1.59 -0.35 0.00 0.00 0.00 173.10 173.94 1hsh s ASP 79 N -3.09 6.83 -0.03 1.64 2.15 -1.26 -4.18 116.67 118.73 1hsh s ASP 79 Ca 0.18 -2.41 0.04 0.00 0.43 0.00 0.00 52.55 50.80 1hsh s ASP 79 Cb -0.04 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 40.05 1hsh s ASP 79 CO 0.13 -1.12 -0.16 0.28 -0.17 0.00 0.00 175.17 174.13 1hsh s THR 80 N 3.65 1.29 0.36 1.71 -1.32 -1.26 -5.04 115.64 115.03 1hsh s THR 80 Ca 0.49 -0.66 0.08 0.00 -1.21 0.00 0.00 61.69 60.39 1hsh s THR 80 Cb 0.01 -1.10 0.31 0.00 -1.51 0.00 0.00 72.50 70.22 1hsh s THR 80 CO 0.03 0.37 1.90 1.55 -2.21 0.00 0.00 174.62 176.26 1hsh h PRO 81 N 6.07 0.70 -3.92 7.08 0.13 -2.00 -3.44 132.00 136.63 1hsh h PRO 81 Ca -0.34 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 64.60 1hsh h PRO 81 Cb 1.17 -0.16 -0.19 0.00 0.13 0.00 0.00 31.00 31.95 1hsh h PRO 81 CO 0.48 0.46 -0.61 -1.50 -0.23 0.00 0.00 178.00 176.60 1hsh s ILE 82 N -5.68 0.13 -0.08 -3.56 2.07 -1.26 -5.11 121.20 107.72 1hsh s ILE 82 Ca -0.10 -1.11 -0.20 0.00 -1.41 0.00 0.00 60.65 57.83 1hsh s ILE 82 Cb 0.21 -0.72 -0.04 0.00 0.13 0.00 0.00 42.46 42.04 1hsh s ILE 82 CO 0.78 -0.61 0.56 0.20 -1.91 0.00 0.00 174.94 173.97 1hsh s ASN 83 N -1.94 6.83 -0.10 4.50 0.01 -1.26 -4.83 114.94 118.16 1hsh s ASN 83 Ca -0.08 0.99 0.03 0.00 -0.71 0.00 0.00 52.86 53.10 1hsh s ASN 83 Cb -0.04 -2.34 0.01 0.00 0.41 0.00 0.00 41.25 39.29 1hsh s ASN 83 CO -0.04 -0.01 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.72 1hsh s ILE 84 N 0.49 1.74 -0.34 0.60 1.01 -0.08 -0.76 121.20 123.85 1hsh s ILE 84 Ca 0.30 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 1hsh s ILE 84 Cb -0.16 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 1hsh s ILE 84 CO 0.14 0.49 0.21 -0.36 0.00 0.00 0.00 174.94 175.42 1hsh s PHE 85 N 0.55 3.21 0.00 3.97 0.40 0.63 -2.07 117.98 124.68 1hsh s PHE 85 Ca -0.15 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 55.74 1hsh s PHE 85 Cb -0.17 -2.44 0.00 0.00 0.51 0.00 0.00 43.02 40.92 1hsh s PHE 85 CO 0.05 -0.44 0.00 0.41 0.70 0.00 0.00 175.22 175.94 1hsh n GLY 86 N 5.06 1.64 0.24 4.36 0.00 -1.18 -0.51 105.19 114.79 1hsh n GLY 86 Ca -0.13 -2.06 0.16 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.17 1.61 3.08 -0.61 -2.13 114.38 116.15 1hsh h ARG 87 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1hsh h ARG 87 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1hsh h ARG 87 CO 0.00 0.00 -0.63 -2.95 -1.07 0.00 0.00 179.97 175.32 1hsh h ASN 88 N 0.00 0.70 0.07 7.04 -1.07 -1.82 -1.79 115.58 118.71 1hsh h ASN 88 Ca 0.00 -0.41 -0.21 0.00 0.07 0.00 0.00 56.30 55.75 1hsh h ASN 88 Cb 0.11 -0.20 -0.01 0.00 -2.07 0.00 0.00 38.32 36.14 1hsh h ASN 88 CO 0.00 1.15 -1.09 0.40 0.07 0.00 0.00 177.43 177.96 1hsh h ILE 89 N 0.45 1.16 -0.75 6.14 2.04 -1.78 -3.15 117.51 121.62 1hsh h ILE 89 Ca -0.01 -2.34 0.14 0.00 1.00 0.00 0.00 64.86 63.65 1hsh h ILE 89 Cb 1.20 2.74 -0.14 0.00 -0.74 0.00 0.00 36.82 39.88 1hsh h ILE 89 CO 0.12 0.59 -0.24 -0.07 0.00 0.00 0.00 178.15 178.55 1hsh h LEU 90 N -0.60 -0.88 -1.63 1.44 3.38 -1.47 0.31 115.31 115.85 1hsh h LEU 90 Ca -0.25 0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1hsh h LEU 90 Cb 1.50 0.53 -0.01 0.00 0.09 0.00 0.00 40.66 42.78 1hsh h LEU 90 CO -0.01 -0.27 -0.20 0.71 0.09 0.00 0.00 178.44 178.76 1hsh h THR 91 N -0.04 1.09 0.00 0.22 1.35 -1.45 -0.99 112.91 113.08 1hsh h THR 91 Ca 0.34 -0.68 -0.06 0.00 -0.55 0.00 0.00 66.41 65.45 1hsh h THR 91 Cb 0.57 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 1hsh h THR 91 CO -0.79 0.19 -0.31 0.00 -0.25 0.00 0.00 175.52 174.36 1hsh h ALA 92 N 1.80 0.93 0.00 6.62 0.00 -0.51 -2.72 119.26 125.38 1hsh h ALA 92 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1hsh h ALA 92 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1hsh h ALA 92 CO 0.03 0.39 -0.11 1.28 0.00 0.00 0.00 179.25 180.84 1hsh n LEU 93 N -3.36 0.83 -1.30 0.00 4.77 0.68 -4.95 117.00 113.67 1hsh n LEU 93 Ca 0.01 0.52 -0.11 0.00 -0.03 0.00 0.00 56.01 56.40 1hsh n LEU 93 Cb 0.52 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1hsh n LEU 93 CO 0.36 -0.17 -0.13 0.61 -1.33 0.00 0.00 177.39 176.73 1hsh n GLY 94 N 1.31 -0.07 3.83 -0.72 0.00 -0.61 -5.04 105.19 103.89 1hsh n GLY 94 Ca 0.05 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -4.60 1.96 0.01 1.61 -1.94 -0.95 -5.03 119.30 110.35 1hsh s MET 95 Ca 0.02 0.41 -0.21 0.00 -1.71 0.00 0.00 55.69 54.20 1hsh s MET 95 Cb -0.01 -1.92 0.04 0.00 2.01 0.00 0.00 34.83 34.95 1hsh s MET 95 CO 0.02 -1.66 0.46 -1.54 -0.01 0.00 0.00 175.02 172.29 1hsh s SER 96 N -4.15 -0.36 0.08 3.03 1.04 -1.26 -4.73 113.70 107.34 1hsh s SER 96 Ca 0.61 0.20 -0.27 0.00 0.48 0.00 0.00 55.95 56.97 1hsh s SER 96 Cb -0.13 0.43 -0.06 0.00 0.10 0.00 0.00 66.02 66.36 1hsh s SER 96 CO 0.53 -0.61 0.86 -0.76 0.98 0.00 0.00 173.24 174.23 1hsh s LEU 97 N -1.67 4.47 -0.06 2.42 1.43 -1.26 -5.06 118.68 118.95 1hsh s LEU 97 Ca -0.08 1.61 0.05 0.00 -1.03 0.00 0.00 54.13 54.68 1hsh s LEU 97 Cb -0.02 -3.40 -0.00 0.00 0.03 0.00 0.00 46.19 42.80 1hsh s LEU 97 CO 0.02 -0.02 -0.21 0.20 0.23 0.00 0.00 176.35 176.56 1hsh s ASN 98 N -0.04 2.70 0.00 2.29 0.01 -1.26 -5.30 114.94 113.34 1hsh s ASN 98 Ca 0.42 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 52.12 1hsh s ASN 98 Cb -0.22 -0.89 0.00 0.00 0.41 0.00 0.00 41.25 40.55 1hsh s ASN 98 CO 0.26 0.18 0.00 0.18 -1.51 0.00 0.00 177.10 176.22