#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hsi s GLN 2 N 0.00 1.59 -0.25 0.54 -2.07 -1.26 -5.13 119.66 113.08 1hsi s GLN 2 Ca 0.00 -0.72 -0.08 0.00 -1.82 0.00 0.00 55.36 52.74 1hsi s GLN 2 Cb 0.00 -1.54 -0.04 0.00 -1.09 0.00 0.00 33.01 30.34 1hsi s GLN 2 CO 0.00 0.42 0.10 -0.06 -1.32 0.00 0.00 175.29 174.43 1hsi s PHE 3 N -0.48 3.14 0.89 9.60 0.08 -1.26 -5.09 117.98 124.85 1hsi s PHE 3 Ca 0.08 -0.23 -0.12 0.00 0.12 0.00 0.00 56.93 56.78 1hsi s PHE 3 Cb -0.08 -2.26 0.13 0.00 -0.57 0.00 0.00 43.02 40.24 1hsi s PHE 3 CO -0.01 -0.25 1.09 -1.54 -0.10 0.00 0.00 175.22 174.41 1hsi s SER 4 N 1.52 3.52 -0.25 1.36 1.04 -1.26 -4.99 113.70 114.65 1hsi s SER 4 Ca 0.06 1.45 0.12 0.00 0.48 0.00 0.00 55.95 58.07 1hsi s SER 4 Cb -0.15 -2.14 0.52 0.00 0.10 0.00 0.00 66.02 64.35 1hsi s SER 4 CO 0.05 -2.60 1.46 0.18 0.98 0.00 0.00 173.24 173.31 1hsi n LEU 5 N -3.86 4.08 -0.27 2.42 4.77 -1.26 -4.61 117.00 118.28 1hsi n LEU 5 Ca 0.07 -3.45 -0.06 0.00 -0.03 0.00 0.00 56.01 52.55 1hsi n LEU 5 Cb 0.55 -0.60 0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1hsi n LEU 5 CO 0.56 1.00 1.08 -0.50 -1.33 0.00 0.00 177.39 178.20 1hsi h TRP 6 N 1.29 1.07 -2.18 -1.77 4.06 -2.06 -3.42 115.95 112.95 1hsi h TRP 6 Ca 0.14 -0.05 -0.47 0.00 2.06 0.00 0.00 58.89 60.57 1hsi h TRP 6 Cb 1.60 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 29.41 1hsi h TRP 6 CO 0.81 0.79 -0.46 0.15 -3.56 0.00 0.00 178.44 176.17 1hsi s LYS 7 N -5.71 3.27 0.15 0.49 3.01 -1.26 -5.06 119.74 114.62 1hsi s LYS 7 Ca -0.13 -0.86 -0.34 0.00 -1.01 0.00 0.00 55.97 53.63 1hsi s LYS 7 Cb 0.15 -2.78 -0.15 0.00 -1.01 0.00 0.00 37.83 34.04 1hsi s LYS 7 CO 0.81 0.41 1.48 0.54 0.51 0.00 0.00 175.35 179.10 1hsi n ARG 8 N -1.34 1.81 -2.32 1.68 5.12 -1.26 -4.85 116.66 115.49 1hsi n ARG 8 Ca -0.08 0.65 -0.35 0.00 -1.93 0.00 0.00 57.85 56.14 1hsi n ARG 8 Cb 0.57 -2.36 -0.03 0.00 -1.16 0.00 0.00 32.46 29.48 1hsi n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1hsi s PRO 9 N 0.61 3.18 -0.16 5.56 0.04 -1.26 -4.95 135.00 138.02 1hsi s PRO 9 Ca 0.79 -1.20 -0.03 0.00 0.04 0.00 0.00 61.00 60.60 1hsi s PRO 9 Cb -0.76 -5.31 -0.02 0.00 0.04 0.00 0.00 34.50 28.44 1hsi s PRO 9 CO 0.42 -2.95 -0.05 0.08 0.04 0.00 0.00 177.00 174.54 1hsi s VAL 10 N 7.50 3.77 0.12 -0.36 1.01 -1.26 -1.35 120.40 129.82 1hsi s VAL 10 Ca 0.59 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.21 1hsi s VAL 10 Cb -0.01 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1hsi s VAL 10 CO 0.03 0.49 -0.10 0.68 0.00 0.00 0.00 175.10 176.20 1hsi s VAL 11 N 0.42 1.03 -0.38 2.92 -7.23 -0.27 -4.93 120.40 111.96 1hsi s VAL 11 Ca -0.05 -1.82 -0.28 0.00 -1.81 0.00 0.00 61.98 58.03 1hsi s VAL 11 Cb -0.14 -1.57 0.02 0.00 0.56 0.00 0.00 36.38 35.25 1hsi s VAL 11 CO 0.03 -0.64 1.02 0.42 -0.31 0.00 0.00 175.10 175.63 1hsi s THR 12 N -2.82 4.47 0.34 5.32 -4.23 -1.26 -0.09 115.64 117.36 1hsi s THR 12 Ca 0.10 1.36 0.01 0.00 -1.18 0.00 0.00 61.69 61.98 1hsi s THR 12 Cb -0.00 -4.43 -0.03 0.00 1.34 0.00 0.00 72.50 69.38 1hsi s THR 12 CO 0.00 -0.64 0.53 0.00 -0.54 0.00 0.00 174.62 173.97 1hsi s ALA 13 N 3.77 3.75 -0.21 3.99 0.00 -0.09 -4.60 121.76 128.37 1hsi s ALA 13 Ca 0.43 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 1hsi s ALA 13 Cb -0.11 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 20.98 1hsi s ALA 13 CO 0.21 -0.01 -0.11 0.71 0.00 0.00 0.00 175.76 176.56 1hsi s TYR 14 N -2.28 2.91 -0.29 0.00 2.02 -0.18 -1.28 117.35 118.25 1hsi s TYR 14 Ca 0.40 -1.37 -0.06 0.00 -0.37 0.00 0.00 57.07 55.67 1hsi s TYR 14 Cb -0.10 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.46 1hsi s TYR 14 CO 0.35 -0.70 0.05 0.42 -1.57 0.00 0.00 175.55 174.10 1hsi s ILE 15 N 1.37 3.70 -1.74 2.71 1.01 0.27 -0.60 121.20 127.92 1hsi s ILE 15 Ca 0.04 -0.79 -0.18 0.00 0.00 0.00 0.00 60.65 59.72 1hsi s ILE 15 Cb -0.14 -2.91 0.17 0.00 0.01 0.00 0.00 42.46 39.58 1hsi s ILE 15 CO -0.08 0.09 0.67 -0.62 0.00 0.00 0.00 174.94 175.01 1hsi n GLU 16 N 4.82 -2.27 0.00 2.79 -0.58 -0.47 -1.20 120.64 123.72 1hsi n GLU 16 Ca -0.15 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 1hsi n GLU 16 Cb 0.48 -4.87 0.00 0.00 -0.57 0.00 0.00 31.44 26.47 1hsi n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hsi n GLY 17 N -1.38 2.53 3.67 0.62 0.00 -1.26 -5.02 105.19 104.35 1hsi n GLY 17 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1hsi n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1hsi s GLN 18 N -0.42 4.31 0.04 1.61 0.74 -0.34 -4.95 119.66 120.65 1hsi s GLN 18 Ca 0.00 1.07 -0.30 0.00 0.05 0.00 0.00 55.36 56.18 1hsi s GLN 18 Cb 0.00 -3.57 -0.04 0.00 1.10 0.00 0.00 33.01 30.50 1hsi s GLN 18 CO 0.00 -0.33 0.99 -1.25 -0.55 0.00 0.00 175.29 174.15 1hsi s PRO 19 N 2.14 4.59 0.05 1.67 0.05 -1.26 -0.56 135.00 141.68 1hsi s PRO 19 Ca 0.40 1.46 0.02 0.00 0.05 0.00 0.00 61.00 62.92 1hsi s PRO 19 Cb -0.17 -3.42 -0.03 0.00 0.05 0.00 0.00 34.50 30.93 1hsi s PRO 19 CO 0.13 0.02 -0.07 0.14 0.05 0.00 0.00 177.00 177.27 1hsi s VAL 20 N 0.67 0.50 -0.06 -0.36 -7.23 -0.41 -4.99 120.40 108.52 1hsi s VAL 20 Ca 0.51 -1.29 -0.27 0.00 -1.81 0.00 0.00 61.98 59.12 1hsi s VAL 20 Cb -0.23 -0.86 -0.03 0.00 0.56 0.00 0.00 36.38 35.83 1hsi s VAL 20 CO 0.29 -0.54 0.85 -0.70 -0.31 0.00 0.00 175.10 174.68 1hsi s GLU 21 N -2.21 4.47 0.12 4.82 2.56 -1.26 -0.91 118.70 126.29 1hsi s GLU 21 Ca -0.05 1.14 0.07 0.00 0.00 0.00 0.00 54.97 56.13 1hsi s GLU 21 Cb -0.06 -3.48 -0.04 0.00 2.00 0.00 0.00 34.13 32.56 1hsi s GLU 21 CO -0.02 -0.06 -0.16 0.14 -0.56 0.00 0.00 175.26 174.61 1hsi s VAL 22 N 1.14 1.48 -0.28 3.70 -7.23 0.87 -4.61 120.40 115.47 1hsi s VAL 22 Ca 0.44 -1.68 -0.16 0.00 -1.81 0.00 0.00 61.98 58.77 1hsi s VAL 22 Cb -0.19 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 1hsi s VAL 22 CO 0.21 -0.31 0.42 -0.22 -0.31 0.00 0.00 175.10 174.89 1hsi s LEU 23 N -2.32 4.11 -0.53 1.32 2.96 0.15 -1.11 118.68 123.26 1hsi s LEU 23 Ca 0.09 0.25 -0.27 0.00 -0.22 0.00 0.00 54.13 53.98 1hsi s LEU 23 Cb -0.07 -2.49 -0.01 0.00 0.50 0.00 0.00 46.19 44.13 1hsi s LEU 23 CO 0.04 -0.25 1.66 -0.76 -1.32 0.00 0.00 176.35 175.72 1hsi s LEU 24 N 2.15 3.38 -0.58 -0.68 1.43 -0.46 -1.18 118.68 122.76 1hsi s LEU 24 Ca 0.16 0.53 0.02 0.00 -1.03 0.00 0.00 54.13 53.81 1hsi s LEU 24 Cb -0.16 -2.96 0.14 0.00 0.03 0.00 0.00 46.19 43.24 1hsi s LEU 24 CO 0.10 -1.95 0.35 -0.62 0.23 0.00 0.00 176.35 174.46 1hsi s ASP 25 N 6.13 4.67 0.37 2.29 2.15 -1.03 -4.78 116.67 126.48 1hsi s ASP 25 Ca 0.64 -3.04 0.25 0.00 0.43 0.00 0.00 52.55 50.83 1hsi s ASP 25 Cb -0.14 -1.71 1.32 0.00 -0.30 0.00 0.00 42.92 42.09 1hsi s ASP 25 CO 0.25 -0.26 1.77 0.71 -0.17 0.00 0.00 175.17 177.48 1hsi h THR 26 N 5.31 0.00 0.00 1.71 1.35 -1.93 0.85 112.91 120.20 1hsi h THR 26 Ca -0.04 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1hsi h THR 26 Cb 0.90 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1hsi h THR 26 CO 0.70 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 1hsi n GLY 27 N -1.05 -1.22 3.53 5.82 0.00 -1.26 -4.82 105.19 106.18 1hsi n GLY 27 Ca -0.01 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1hsi n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hsi s ALA 28 N -2.81 3.00 -0.01 4.61 0.00 0.29 -5.01 121.76 121.82 1hsi s ALA 28 Ca 0.17 -0.84 -0.25 0.00 0.00 0.00 0.00 51.96 51.03 1hsi s ALA 28 Cb 0.16 -1.42 -0.18 0.00 0.00 0.00 0.00 23.12 21.68 1hsi s ALA 28 CO 0.41 0.37 1.21 -0.44 0.00 0.00 0.00 175.76 177.31 1hsi h ASP 29 N 6.08 -0.13 -5.66 0.00 3.32 -1.88 0.42 116.42 118.58 1hsi h ASP 29 Ca -0.38 -0.36 -0.49 0.00 0.02 0.00 0.00 57.03 55.82 1hsi h ASP 29 Cb 1.19 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 1hsi h ASP 29 CO 0.58 0.32 -0.21 0.47 -1.72 0.00 0.00 179.24 178.68 1hsi n ASP 30 N -4.95 2.44 -4.10 6.45 8.00 -1.26 -2.66 116.55 120.46 1hsi n ASP 30 Ca -0.09 -2.61 -0.21 0.00 0.71 0.00 0.00 54.79 52.59 1hsi n ASP 30 Cb 0.25 -0.09 -0.15 0.00 -0.02 0.00 0.00 41.12 41.11 1hsi n ASP 30 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1hsi s SER 31 N -3.88 1.55 -0.11 -2.24 0.01 -1.26 -2.17 113.70 105.60 1hsi s SER 31 Ca 0.31 -0.29 -0.05 0.00 1.31 0.00 0.00 55.95 57.22 1hsi s SER 31 Cb -0.02 -0.15 0.05 0.00 0.21 0.00 0.00 66.02 66.10 1hsi s SER 31 CO 0.20 0.12 0.26 -0.51 0.41 0.00 0.00 173.24 173.72 1hsi s ILE 32 N -0.45 -0.10 0.07 1.44 2.07 -0.68 -1.51 121.20 122.04 1hsi s ILE 32 Ca 0.04 0.17 0.07 0.00 -1.41 0.00 0.00 60.65 59.52 1hsi s ILE 32 Cb -0.06 -0.40 -0.03 0.00 0.13 0.00 0.00 42.46 42.10 1hsi s ILE 32 CO -0.00 0.07 -0.19 0.68 -1.91 0.00 0.00 174.94 173.59 1hsi s VAL 33 N 1.45 1.55 0.31 4.00 -7.23 -0.21 -1.69 120.40 118.59 1hsi s VAL 33 Ca -0.08 -1.31 0.07 0.00 -1.81 0.00 0.00 61.98 58.85 1hsi s VAL 33 Cb -0.11 -1.39 -0.02 0.00 0.56 0.00 0.00 36.38 35.42 1hsi s VAL 33 CO -0.09 0.03 0.38 0.00 -0.31 0.00 0.00 175.10 175.12 1hsi s ALA 34 N -0.99 4.04 0.00 1.32 0.00 -1.24 -2.35 121.76 122.54 1hsi s ALA 34 Ca 0.05 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1hsi s ALA 34 Cb -0.09 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1hsi s ALA 34 CO 0.03 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.24 1hsi n GLY 35 N -1.50 2.03 3.86 0.00 0.00 -1.26 -4.98 105.19 103.34 1hsi n GLY 35 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1hsi n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hsi s ILE 36 N -3.44 5.23 -0.41 -0.61 -1.09 -1.26 -5.06 121.20 114.55 1hsi s ILE 36 Ca 0.00 0.53 0.01 0.00 -2.23 0.00 0.00 60.65 58.96 1hsi s ILE 36 Cb 0.00 -3.58 0.11 0.00 -1.58 0.00 0.00 42.46 37.41 1hsi s ILE 36 CO 0.00 0.55 0.16 -1.61 -1.23 0.00 0.00 174.94 172.82 1hsi s GLU 37 N -1.18 1.82 -0.00 2.79 0.41 -1.26 -4.96 118.70 116.32 1hsi s GLU 37 Ca 0.22 -1.99 0.21 0.00 -0.41 0.00 0.00 54.97 53.00 1hsi s GLU 37 Cb -0.15 -3.41 -0.23 0.00 -1.78 0.00 0.00 34.13 28.57 1hsi s GLU 37 CO 0.11 -1.03 0.82 1.28 -0.49 0.00 0.00 175.26 175.94 1hsi n LEU 38 N 4.20 0.73 0.00 1.80 4.77 -1.26 -5.09 117.00 122.15 1hsi n LEU 38 Ca 0.02 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1hsi n LEU 38 Cb 0.40 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1hsi n LEU 38 CO 0.28 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1hsi n GLY 39 N 1.43 0.41 0.37 -0.72 0.00 -1.26 -4.88 105.19 100.55 1hsi n GLY 39 Ca 0.02 -2.24 0.05 0.00 0.00 0.00 0.00 46.02 43.85 1hsi n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hsi n ASN 40 N 0.41 1.73 -4.41 1.61 4.13 -1.26 -4.73 115.26 112.74 1hsi n ASN 40 Ca 0.00 -1.37 -0.45 0.00 1.68 0.00 0.00 54.58 54.45 1hsi n ASN 40 Cb 0.00 0.07 -0.02 0.00 -1.54 0.00 0.00 39.78 38.29 1hsi n ASN 40 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1hsi s ASN 41 N -0.89 6.80 0.14 6.41 3.04 -1.26 -4.96 114.94 124.21 1hsi s ASN 41 Ca 0.11 -2.51 -0.11 0.00 0.04 0.00 0.00 52.86 50.39 1hsi s ASN 41 Cb 0.08 -2.34 0.00 0.00 -1.54 0.00 0.00 41.25 37.46 1hsi s ASN 41 CO 0.14 -0.82 0.30 -0.72 -3.04 0.00 0.00 177.10 172.96 1hsi s TYR 42 N 1.53 0.17 -0.03 0.43 -0.85 -1.26 -4.70 117.35 112.64 1hsi s TYR 42 Ca 0.31 -0.54 0.06 0.00 -0.52 0.00 0.00 57.07 56.37 1hsi s TYR 42 Cb -0.06 0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.29 1hsi s TYR 42 CO -0.08 -0.68 -0.21 -1.54 -1.52 0.00 0.00 175.55 171.53 1hsi s SER 43 N -2.90 3.51 0.19 -0.18 1.04 -0.80 -4.89 113.70 109.67 1hsi s SER 43 Ca 0.10 -0.35 -0.30 0.00 0.48 0.00 0.00 55.95 55.87 1hsi s SER 43 Cb 0.03 -0.57 -0.09 0.00 0.10 0.00 0.00 66.02 65.50 1hsi s SER 43 CO -0.06 0.33 1.33 -2.16 0.98 0.00 0.00 173.24 173.65 1hsi s PRO 44 N -0.73 4.37 0.20 4.02 0.04 -1.26 -1.02 135.00 140.62 1hsi s PRO 44 Ca 0.11 2.07 0.04 0.00 0.04 0.00 0.00 61.00 63.26 1hsi s PRO 44 Cb -0.10 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 1hsi s PRO 44 CO 0.00 -0.29 -0.05 0.15 0.04 0.00 0.00 177.00 176.85 1hsi s LYS 45 N 0.03 1.24 -0.06 4.56 1.02 -0.37 -4.93 119.74 121.24 1hsi s LYS 45 Ca 0.58 -1.59 0.01 0.00 0.02 0.00 0.00 55.97 54.99 1hsi s LYS 45 Cb -0.37 -0.67 0.02 0.00 -0.52 0.00 0.00 37.83 36.29 1hsi s LYS 45 CO 0.37 -0.01 -0.06 0.96 -0.92 0.00 0.00 175.35 175.69 1hsi s ILE 46 N -3.34 0.71 -0.06 2.17 -4.36 -1.26 0.41 121.20 115.46 1hsi s ILE 46 Ca 0.24 -0.19 0.04 0.00 -0.26 0.00 0.00 60.65 60.48 1hsi s ILE 46 Cb 0.04 -0.72 -0.02 0.00 1.25 0.00 0.00 42.46 43.01 1hsi s ILE 46 CO 0.06 0.27 -0.18 0.54 0.24 0.00 0.00 174.94 175.87 1hsi s VAL 47 N 1.08 2.68 -0.26 8.37 0.11 -0.40 -4.94 120.40 127.04 1hsi s VAL 47 Ca -0.08 -0.85 -0.28 0.00 -2.93 0.00 0.00 61.98 57.84 1hsi s VAL 47 Cb -0.14 -2.03 0.01 0.00 -1.53 0.00 0.00 36.38 32.69 1hsi s VAL 47 CO -0.01 0.58 1.01 -0.83 -3.33 0.00 0.00 175.10 172.52 1hsi s GLY 48 N -0.47 1.66 0.28 6.54 0.00 -1.26 -0.71 107.32 113.35 1hsi s GLY 48 Ca 0.06 0.02 0.06 0.00 0.00 0.00 0.00 44.72 44.86 1hsi s GLY 48 CO 0.01 2.13 0.32 -0.32 0.00 0.00 0.00 173.10 175.25 1hsi s GLY 49 N 1.39 1.43 -0.49 0.20 0.00 0.11 -4.96 107.32 104.99 1hsi s GLY 49 Ca 0.42 -1.40 -0.32 0.00 0.00 0.00 0.00 44.72 43.43 1hsi s GLY 49 CO 0.09 -1.39 2.34 4.51 0.00 0.00 0.00 173.10 178.65 1hsi n ILE 50 N -1.37 0.09 -0.19 0.90 3.06 -1.26 -0.92 119.36 119.67 1hsi n ILE 50 Ca -0.06 -0.36 0.00 0.00 -2.50 0.00 0.00 62.75 59.84 1hsi n ILE 50 Cb 0.58 -1.77 0.00 0.00 0.54 0.00 0.00 39.64 38.99 1hsi n ILE 50 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1hsi n GLY 51 N 6.38 0.90 0.00 4.50 0.00 -1.26 -5.04 105.19 110.67 1hsi n GLY 51 Ca 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1hsi n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hsi n GLY 52 N -2.19 3.62 3.77 -0.02 0.00 -0.09 -5.11 105.19 105.17 1hsi n GLY 52 Ca 0.00 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 1hsi n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hsi s PHE 53 N -2.00 2.64 0.09 1.61 0.08 -1.26 0.06 117.98 119.20 1hsi s PHE 53 Ca 0.00 1.55 0.08 0.00 0.12 0.00 0.00 56.93 58.67 1hsi s PHE 53 Cb 0.00 -3.15 -0.03 0.00 -0.57 0.00 0.00 43.02 39.27 1hsi s PHE 53 CO 0.00 -1.66 -0.20 0.96 -0.10 0.00 0.00 175.22 174.22 1hsi s ILE 54 N -2.40 1.63 0.06 0.64 -4.36 0.11 -4.79 121.20 112.08 1hsi s ILE 54 Ca 0.66 -1.45 -0.24 0.00 -0.26 0.00 0.00 60.65 59.36 1hsi s ILE 54 Cb -0.20 -1.48 -0.06 0.00 1.25 0.00 0.00 42.46 41.98 1hsi s ILE 54 CO 0.43 -0.04 0.73 0.21 0.24 0.00 0.00 174.94 176.51 1hsi s ASN 55 N -1.76 7.19 0.26 4.36 3.84 -1.26 -1.27 114.94 126.30 1hsi s ASN 55 Ca 0.06 1.42 0.03 0.00 0.21 0.00 0.00 52.86 54.58 1hsi s ASN 55 Cb -0.10 -2.45 -0.05 0.00 -0.55 0.00 0.00 41.25 38.10 1hsi s ASN 55 CO 0.04 0.07 0.02 0.42 -2.79 0.00 0.00 177.10 174.86 1hsi s THR 56 N -0.31 1.03 -0.10 -5.21 -4.23 0.16 -4.65 115.64 102.34 1hsi s THR 56 Ca 0.36 -2.03 0.03 0.00 -1.18 0.00 0.00 61.69 58.87 1hsi s THR 56 Cb -0.20 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 1hsi s THR 56 CO 0.22 -0.20 -0.19 -0.54 -0.54 0.00 0.00 174.62 173.36 1hsi s LYS 57 N -3.89 3.09 -0.21 3.99 1.02 -0.88 -1.23 119.74 121.63 1hsi s LYS 57 Ca 0.32 -0.80 -0.06 0.00 0.02 0.00 0.00 55.97 55.44 1hsi s LYS 57 Cb 0.07 -2.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.93 1hsi s LYS 57 CO 0.11 0.24 0.04 -2.00 -0.92 0.00 0.00 175.35 172.82 1hsi s GLU 58 N 0.23 3.72 -0.06 1.68 2.12 -0.19 -1.73 118.70 124.48 1hsi s GLU 58 Ca -0.13 -0.46 0.03 0.00 0.36 0.00 0.00 54.97 54.78 1hsi s GLU 58 Cb -0.16 -3.19 -0.02 0.00 0.26 0.00 0.00 34.13 31.01 1hsi s GLU 58 CO 0.07 0.01 -0.14 0.71 -0.54 0.00 0.00 175.26 175.37 1hsi s TYR 59 N 1.04 2.71 0.21 5.30 2.02 -0.13 -1.91 117.35 126.59 1hsi s TYR 59 Ca 0.03 -0.20 0.06 0.00 -0.37 0.00 0.00 57.07 56.59 1hsi s TYR 59 Cb -0.14 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 1hsi s TYR 59 CO 0.02 0.15 0.19 0.15 -1.57 0.00 0.00 175.55 174.50 1hsi s LYS 60 N -0.65 2.97 -1.42 -0.62 -0.14 -1.26 -1.78 119.74 116.84 1hsi s LYS 60 Ca 0.10 -0.94 0.00 0.00 -1.36 0.00 0.00 55.97 53.76 1hsi s LYS 60 Cb -0.11 -2.63 0.00 0.00 -1.68 0.00 0.00 37.83 33.41 1hsi s LYS 60 CO 0.01 0.44 0.00 -1.71 -0.76 0.00 0.00 175.35 173.33 1hsi n ASN 61 N -0.83 -4.83 -4.76 2.83 5.15 -1.14 -4.93 115.26 106.75 1hsi n ASN 61 Ca -0.08 0.03 -0.40 0.00 -0.60 0.00 0.00 54.58 53.53 1hsi n ASN 61 Cb 0.56 -3.92 -0.06 0.00 -0.53 0.00 0.00 39.78 35.83 1hsi n ASN 61 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1hsi s VAL 62 N -2.78 4.28 -0.38 3.44 -7.23 -0.62 -4.68 120.40 112.43 1hsi s VAL 62 Ca 0.00 1.85 -0.29 0.00 -1.81 0.00 0.00 61.98 61.73 1hsi s VAL 62 Cb 0.00 -4.21 0.02 0.00 0.56 0.00 0.00 36.38 32.75 1hsi s VAL 62 CO 0.00 0.50 1.11 -0.70 -0.31 0.00 0.00 175.10 175.70 1hsi s GLU 63 N -1.06 3.92 -0.11 4.82 2.12 -1.26 -1.55 118.70 125.57 1hsi s GLU 63 Ca 0.38 0.87 -0.05 0.00 0.36 0.00 0.00 54.97 56.53 1hsi s GLU 63 Cb -0.24 -3.81 -0.04 0.00 0.26 0.00 0.00 34.13 30.30 1hsi s GLU 63 CO 0.28 -1.11 0.07 0.42 -0.54 0.00 0.00 175.26 174.38 1hsi s ILE 64 N 4.03 4.90 -0.29 -3.70 -1.09 0.03 -1.37 121.20 123.72 1hsi s ILE 64 Ca 0.47 -0.02 0.01 0.00 -2.23 0.00 0.00 60.65 58.89 1hsi s ILE 64 Cb -0.10 -3.12 0.08 0.00 -1.58 0.00 0.00 42.46 37.74 1hsi s ILE 64 CO 0.22 0.59 0.02 -0.70 -1.23 0.00 0.00 174.94 173.85 1hsi s GLU 65 N -0.76 1.30 -0.06 2.79 -6.30 0.24 -0.84 118.70 115.06 1hsi s GLU 65 Ca 0.13 -1.26 0.03 0.00 -2.50 0.00 0.00 54.97 51.37 1hsi s GLU 65 Cb -0.12 -2.58 0.00 0.00 0.00 0.00 0.00 34.13 31.44 1hsi s GLU 65 CO 0.03 -0.81 -0.16 0.08 0.02 0.00 0.00 175.26 174.42 1hsi s VAL 66 N 1.33 1.40 -1.52 3.70 1.01 -0.39 -1.01 120.40 124.92 1hsi s VAL 66 Ca 0.04 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 1hsi s VAL 66 Cb -0.18 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 34.98 1hsi s VAL 66 CO -0.12 0.41 0.20 0.18 0.00 0.00 0.00 175.10 175.76 1hsi n LEU 67 N 3.47 -1.41 -0.01 3.92 4.77 -1.26 -0.89 117.00 125.59 1hsi n LEU 67 Ca -0.20 -1.18 -0.00 0.00 -0.03 0.00 0.00 56.01 54.60 1hsi n LEU 67 Cb 0.52 -1.82 -0.00 0.00 -2.33 0.00 0.00 43.42 39.79 1hsi n LEU 67 CO 0.26 0.43 -0.00 0.59 -1.33 0.00 0.00 177.39 177.34 1hsi n ASN 68 N -2.90 -3.79 -4.20 -1.43 5.03 -1.26 -4.96 115.26 101.75 1hsi n ASN 68 Ca -0.29 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 54.82 1hsi n ASN 68 Cb 0.68 -1.29 -0.15 0.00 -1.02 0.00 0.00 39.78 38.00 1hsi n ASN 68 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1hsi s LYS 69 N -0.55 2.98 -0.21 3.52 2.36 -0.07 -5.10 119.74 122.67 1hsi s LYS 69 Ca 0.00 -0.87 -0.08 0.00 -2.55 0.00 0.00 55.97 52.47 1hsi s LYS 69 Cb 0.00 -2.88 -0.04 0.00 -1.05 0.00 0.00 37.83 33.86 1hsi s LYS 69 CO 0.00 -0.31 0.09 0.21 1.55 0.00 0.00 175.35 176.88 1hsi s LYS 70 N 1.34 3.92 0.30 4.03 2.20 -1.26 -1.26 119.74 129.02 1hsi s LYS 70 Ca 0.02 -0.36 0.03 0.00 -0.36 0.00 0.00 55.97 55.31 1hsi s LYS 70 Cb -0.15 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1hsi s LYS 70 CO -0.06 0.12 0.17 0.14 -0.36 0.00 0.00 175.35 175.36 1hsi s VAL 71 N 0.82 0.25 0.02 4.02 -7.23 -0.02 -5.01 120.40 113.25 1hsi s VAL 71 Ca 0.05 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.30 1hsi s VAL 71 Cb -0.13 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 1hsi s VAL 71 CO 0.02 0.00 -0.24 -0.13 -0.31 0.00 0.00 175.10 174.44 1hsi s ARG 72 N -3.79 1.77 0.24 4.82 0.52 -1.26 -0.79 118.95 120.47 1hsi s ARG 72 Ca 0.36 -0.96 -0.22 0.00 -0.52 0.00 0.00 55.73 54.39 1hsi s ARG 72 Cb 0.05 -1.83 0.03 0.00 0.52 0.00 0.00 34.95 33.72 1hsi s ARG 72 CO 0.18 0.49 0.72 0.00 0.02 0.00 0.00 175.30 176.71 1hsi s ALA 73 N -0.69 -1.34 0.21 2.13 0.00 -0.59 -4.86 121.76 116.61 1hsi s ALA 73 Ca 0.10 -0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.84 1hsi s ALA 73 Cb -0.09 0.84 -0.07 0.00 0.00 0.00 0.00 23.12 23.79 1hsi s ALA 73 CO 0.01 -0.98 0.58 0.99 0.00 0.00 0.00 175.76 176.36 1hsi s THR 74 N -3.83 4.85 -0.26 0.00 2.01 -1.26 -1.58 115.64 115.57 1hsi s THR 74 Ca 0.09 0.71 -0.23 0.00 0.31 0.00 0.00 61.69 62.57 1hsi s THR 74 Cb -0.05 -3.67 0.07 0.00 0.01 0.00 0.00 72.50 68.86 1hsi s THR 74 CO 0.02 0.04 0.69 -0.63 -0.69 0.00 0.00 174.62 174.06 1hsi s ILE 75 N -1.70 -0.00 0.17 1.82 -1.09 -0.73 -4.75 121.20 114.92 1hsi s ILE 75 Ca 0.45 0.00 0.07 0.00 -2.23 0.00 0.00 60.65 58.94 1hsi s ILE 75 Cb -0.13 -0.97 -0.04 0.00 -1.58 0.00 0.00 42.46 39.74 1hsi s ILE 75 CO 0.20 0.00 -0.01 -0.04 -1.23 0.00 0.00 174.94 173.86 1hsi s MET 76 N 0.61 2.37 0.11 2.79 -1.94 -0.57 -0.95 119.30 121.72 1hsi s MET 76 Ca -0.02 -1.11 0.07 0.00 -1.71 0.00 0.00 55.69 52.92 1hsi s MET 76 Cb -0.05 -2.34 -0.03 0.00 2.01 0.00 0.00 34.83 34.41 1hsi s MET 76 CO -0.03 0.46 -0.18 0.95 -0.01 0.00 0.00 175.02 176.20 1hsi s THR 77 N -1.70 1.55 0.00 2.05 -4.23 -0.71 -1.05 115.64 111.55 1hsi s THR 77 Ca 0.27 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1hsi s THR 77 Cb -0.09 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.27 1hsi s THR 77 CO 0.18 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1hsi n GLY 78 N 0.97 -0.52 3.48 3.99 0.00 -0.99 -2.07 105.19 110.05 1hsi n GLY 78 Ca -0.19 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 1hsi n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hsi s ASP 79 N 0.00 6.39 -0.05 1.61 1.01 -1.26 -3.64 116.67 120.72 1hsi s ASP 79 Ca 0.00 -1.39 0.04 0.00 0.71 0.00 0.00 52.55 51.91 1hsi s ASP 79 Cb 0.00 -2.45 -0.02 0.00 1.01 0.00 0.00 42.92 41.45 1hsi s ASP 79 CO 0.00 -1.36 -0.16 0.28 0.21 0.00 0.00 175.17 174.14 1hsi s THR 80 N 3.91 2.92 -0.10 -1.27 -1.32 -1.26 -5.02 115.64 113.50 1hsi s THR 80 Ca 0.31 -0.77 0.30 0.00 -1.21 0.00 0.00 61.69 60.33 1hsi s THR 80 Cb -0.09 -2.14 0.35 0.00 -1.51 0.00 0.00 72.50 69.11 1hsi s THR 80 CO 0.00 0.58 1.89 1.55 -2.21 0.00 0.00 174.62 176.44 1hsi h PRO 81 N 5.52 0.00 -4.35 7.08 0.13 -1.99 -3.43 132.00 134.95 1hsi h PRO 81 Ca -0.44 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.35 1hsi h PRO 81 Cb 1.16 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.99 1hsi h PRO 81 CO 0.50 0.00 -0.76 0.42 -0.23 0.00 0.00 178.00 177.93 1hsi s ILE 82 N -3.54 0.48 -0.40 -3.56 1.09 -1.26 -5.10 121.20 108.91 1hsi s ILE 82 Ca 0.02 -0.24 -0.25 0.00 -1.10 0.00 0.00 60.65 59.09 1hsi s ILE 82 Cb 0.09 -0.42 0.02 0.00 -1.06 0.00 0.00 42.46 41.08 1hsi s ILE 82 CO 0.50 0.15 0.87 0.20 -0.10 0.00 0.00 174.94 176.55 1hsi s ASN 83 N 0.01 6.57 -0.15 3.58 0.01 -1.26 -4.85 114.94 118.85 1hsi s ASN 83 Ca 0.00 0.33 -0.06 0.00 -0.71 0.00 0.00 52.86 52.43 1hsi s ASN 83 Cb -0.04 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 1hsi s ASN 83 CO -0.00 -0.87 0.06 -0.63 -1.51 0.00 0.00 177.10 174.15 1hsi s ILE 84 N 3.41 4.81 -0.58 0.60 1.09 -0.68 -0.68 121.20 129.17 1hsi s ILE 84 Ca 0.35 -0.04 -0.13 0.00 -1.10 0.00 0.00 60.65 59.73 1hsi s ILE 84 Cb -0.12 -3.12 0.15 0.00 -1.06 0.00 0.00 42.46 38.31 1hsi s ILE 84 CO 0.20 0.52 0.50 -0.36 -0.10 0.00 0.00 174.94 175.71 1hsi s PHE 85 N -0.17 3.41 0.00 3.97 0.40 -0.32 -1.68 117.98 123.58 1hsi s PHE 85 Ca 0.07 -1.67 0.00 0.00 -0.60 0.00 0.00 56.93 54.74 1hsi s PHE 85 Cb -0.12 -3.69 0.00 0.00 0.51 0.00 0.00 43.02 39.72 1hsi s PHE 85 CO 0.01 -1.00 0.00 0.41 0.70 0.00 0.00 175.22 175.34 1hsi n GLY 86 N 4.81 -1.36 0.23 4.36 0.00 -0.92 -2.45 105.19 109.86 1hsi n GLY 86 Ca -0.06 -1.60 0.09 0.00 0.00 0.00 0.00 46.02 44.45 1hsi n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hsi h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.04 -1.70 114.38 117.34 1hsi h ARG 87 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1hsi h ARG 87 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1hsi h ARG 87 CO 0.00 0.22 -0.01 -2.95 -1.07 0.00 0.00 179.97 176.16 1hsi h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.76 0.52 115.58 120.31 1hsi h ASN 88 Ca -0.00 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.05 1hsi h ASN 88 Cb 0.51 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.70 1hsi h ASN 88 CO 0.03 0.01 -2.18 -0.38 0.07 0.00 0.00 177.43 174.97 1hsi n ILE 89 N -3.12 1.19 -0.37 6.14 5.41 -0.69 -3.96 119.36 123.97 1hsi n ILE 89 Ca -0.01 -0.64 0.02 0.00 1.00 0.00 0.00 62.75 63.12 1hsi n ILE 89 Cb 0.20 -0.79 0.16 0.00 -0.71 0.00 0.00 39.64 38.50 1hsi n ILE 89 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1hsi h LEU 90 N 0.00 1.06 -0.36 1.39 3.38 -1.04 -0.81 115.31 118.92 1hsi h LEU 90 Ca -0.47 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 1hsi h LEU 90 Cb 1.94 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 1hsi h LEU 90 CO -0.01 0.69 -0.13 0.71 0.09 0.00 0.00 178.44 179.79 1hsi h THR 91 N 1.21 1.28 -0.01 0.22 1.35 -1.12 0.41 112.91 116.25 1hsi h THR 91 Ca 0.42 -1.24 -0.02 0.00 -0.55 0.00 0.00 66.41 65.02 1hsi h THR 91 Cb 0.10 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1hsi h THR 91 CO -0.15 0.41 -0.10 0.00 -0.25 0.00 0.00 175.52 175.43 1hsi h ALA 92 N 0.81 1.81 -0.00 6.62 0.00 -1.61 -1.25 119.26 125.65 1hsi h ALA 92 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1hsi h ALA 92 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1hsi h ALA 92 CO 0.05 0.14 -0.01 1.28 0.00 0.00 0.00 179.25 180.70 1hsi n LEU 93 N -4.41 0.02 -1.27 0.00 4.77 -0.34 -4.92 117.00 110.86 1hsi n LEU 93 Ca -0.02 0.39 -0.07 0.00 -0.03 0.00 0.00 56.01 56.27 1hsi n LEU 93 Cb 0.18 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1hsi n LEU 93 CO 0.35 0.00 0.03 0.61 -1.33 0.00 0.00 177.39 177.06 1hsi n GLY 94 N 1.40 0.39 3.87 -0.72 0.00 -0.47 -5.04 105.19 104.62 1hsi n GLY 94 Ca 0.10 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 1hsi n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1hsi s MET 95 N -5.12 3.57 0.07 1.61 0.00 0.11 -5.03 119.30 114.51 1hsi s MET 95 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 55.69 55.88 1hsi s MET 95 Cb -0.06 -3.19 -0.03 0.00 0.00 0.00 0.00 34.83 31.56 1hsi s MET 95 CO 0.16 0.74 -0.14 -1.54 0.00 0.00 0.00 175.02 174.25 1hsi s SER 96 N -1.12 1.67 -0.03 1.11 1.04 -1.26 -4.62 113.70 110.48 1hsi s SER 96 Ca 0.19 -0.61 -0.24 0.00 0.48 0.00 0.00 55.95 55.76 1hsi s SER 96 Cb -0.13 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 1hsi s SER 96 CO 0.08 -0.07 0.73 -0.76 0.98 0.00 0.00 173.24 174.19 1hsi s LEU 97 N -1.72 4.36 0.05 2.42 1.43 -1.26 -5.07 118.68 118.89 1hsi s LEU 97 Ca -0.02 1.28 0.07 0.00 -1.03 0.00 0.00 54.13 54.43 1hsi s LEU 97 Cb -0.10 -3.14 -0.03 0.00 0.03 0.00 0.00 46.19 42.95 1hsi s LEU 97 CO 0.02 -0.08 -0.20 0.20 0.23 0.00 0.00 176.35 176.52 1hsi s ASN 98 N 0.57 2.38 0.00 2.29 -0.87 -1.26 -5.28 114.94 112.77 1hsi s ASN 98 Ca 0.38 -0.55 0.00 0.00 -1.57 0.00 0.00 52.86 51.13 1hsi s ASN 98 Cb -0.19 -0.18 0.00 0.00 -0.02 0.00 0.00 41.25 40.87 1hsi s ASN 98 CO 0.20 0.12 0.38 -0.11 -2.57 0.00 0.00 177.10 175.13