#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1suh s TRP 2 N 0.00 2.28 -0.41 -0.67 0.52 -1.26 -4.86 118.94 114.53 1suh s TRP 2 Ca 0.00 -0.15 0.07 0.00 0.02 0.00 0.00 56.10 56.04 1suh s TRP 2 Cb 0.00 -4.59 0.18 0.00 -1.15 0.00 0.00 33.47 27.91 1suh s TRP 2 CO 0.00 -2.06 0.60 0.14 0.02 0.00 0.00 176.95 175.66 1suh s VAL 3 N 5.96 -0.91 -0.45 4.03 -7.23 -1.26 -4.11 120.40 116.43 1suh s VAL 3 Ca 0.41 -0.21 0.08 0.00 -1.81 0.00 0.00 61.98 60.45 1suh s VAL 3 Cb -0.06 -0.09 0.18 0.00 0.56 0.00 0.00 36.38 36.97 1suh s VAL 3 CO 0.09 -0.08 0.66 -0.51 -0.31 0.00 0.00 175.10 174.95 1suh s ILE 4 N 1.72 -0.99 0.17 -0.62 2.07 -1.26 -5.03 121.20 117.25 1suh s ILE 4 Ca 0.17 -0.36 -0.11 0.00 -1.41 0.00 0.00 60.65 58.94 1suh s ILE 4 Cb -0.05 -0.01 0.05 0.00 0.13 0.00 0.00 42.46 42.59 1suh s ILE 4 CO -0.06 -0.01 1.65 -0.65 -1.91 0.00 0.00 174.94 173.96 1suh h PRO 5 N 6.30 0.95 -7.02 3.50 0.11 -1.95 -3.45 132.00 130.44 1suh h PRO 5 Ca 0.05 -0.26 -0.53 0.00 0.11 0.00 0.00 66.00 65.38 1suh h PRO 5 Cb 1.15 -0.11 0.10 0.00 0.11 0.00 0.00 31.00 32.25 1suh h PRO 5 CO 0.07 0.92 0.55 -1.25 -0.21 0.00 0.00 178.00 178.07 1suh s PRO 6 N -5.18 3.52 0.24 1.05 0.05 -1.26 -2.86 135.00 130.57 1suh s PRO 6 Ca -0.12 2.01 -0.11 0.00 0.05 0.00 0.00 61.00 62.82 1suh s PRO 6 Cb 0.13 -2.38 -0.01 0.00 0.05 0.00 0.00 34.50 32.29 1suh s PRO 6 CO 0.83 -0.81 0.43 0.42 0.05 0.00 0.00 177.00 177.91 1suh s ILE 7 N -1.42 0.00 0.01 0.56 1.01 0.61 -4.94 121.20 117.04 1suh s ILE 7 Ca 0.66 -1.50 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1suh s ILE 7 Cb -0.34 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 39.85 1suh s ILE 7 CO 0.42 0.00 -0.04 -0.94 0.00 0.00 0.00 174.94 174.37 1suh s SER 8 N -3.05 0.47 -0.16 3.58 1.04 -1.26 -0.71 113.70 113.62 1suh s SER 8 Ca 0.25 -0.23 -0.05 0.00 0.48 0.00 0.00 55.95 56.40 1suh s SER 8 Cb 0.00 -0.01 0.06 0.00 0.10 0.00 0.00 66.02 66.18 1suh s SER 8 CO 0.10 -0.06 0.10 0.00 0.98 0.00 0.00 173.24 174.35 1suh s PRO 10 N 2.16 -1.05 -0.10 0.00 0.05 -1.26 -2.84 135.00 131.95 1suh s PRO 10 Ca 0.03 0.42 -0.07 0.00 0.05 0.00 0.00 61.00 61.42 1suh s PRO 10 Cb -0.16 -1.57 -0.04 0.00 0.05 0.00 0.00 34.50 32.78 1suh s PRO 10 CO -0.09 -3.70 0.17 -2.00 0.05 0.00 0.00 177.00 171.43 1suh s GLU 11 N -4.89 3.49 -0.35 4.56 2.12 -0.90 -3.19 118.70 119.54 1suh s GLU 11 Ca 0.68 -0.09 -0.26 0.00 0.36 0.00 0.00 54.97 55.66 1suh s GLU 11 Cb -0.18 -3.18 0.04 0.00 0.26 0.00 0.00 34.13 31.06 1suh s GLU 11 CO 0.60 0.76 0.49 0.09 -0.54 0.00 0.00 175.26 176.66 1suh n ASN 12 N 1.88 -6.18 -4.37 -1.70 3.02 -1.15 -4.79 115.26 101.97 1suh n ASN 12 Ca -0.19 0.13 -0.29 0.00 -0.03 0.00 0.00 54.58 54.21 1suh n ASN 12 Cb 0.55 -2.32 0.15 0.00 -0.61 0.00 0.00 39.78 37.55 1suh n ASN 12 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1suh s GLU 13 N -2.13 1.07 0.03 3.52 2.02 -1.26 -5.04 118.70 116.91 1suh s GLU 13 Ca 0.27 -0.36 0.08 0.00 0.02 0.00 0.00 54.97 54.99 1suh s GLU 13 Cb -0.03 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.24 1suh s GLU 13 CO 0.68 -2.11 -0.25 -1.59 0.02 0.00 0.00 175.26 172.01 1suh s LYS 14 N -5.73 1.93 0.00 1.61 -2.85 -1.26 -5.03 119.74 108.40 1suh s LYS 14 Ca 0.70 -1.04 0.00 0.00 -1.00 0.00 0.00 55.97 54.63 1suh s LYS 14 Cb -0.06 -2.04 0.00 0.00 -2.06 0.00 0.00 37.83 33.67 1suh s LYS 14 CO 0.51 0.53 0.00 0.41 0.10 0.00 0.00 175.35 176.90 1suh n GLY 15 N 1.88 0.56 3.67 0.59 0.00 -1.26 -5.05 105.19 105.58 1suh n GLY 15 Ca -0.17 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.32 1suh n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1suh s GLU 16 N -0.27 2.85 0.14 1.61 2.02 -1.26 -5.08 118.70 118.71 1suh s GLU 16 Ca 0.00 -0.53 -0.00 0.00 0.02 0.00 0.00 54.97 54.46 1suh s GLU 16 Cb 0.00 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.49 1suh s GLU 16 CO 0.00 0.66 0.30 -0.06 0.02 0.00 0.00 175.26 176.18 1suh s PHE 17 N -0.96 3.49 0.37 1.61 0.08 -1.26 -3.52 117.98 117.79 1suh s PHE 17 Ca 0.16 0.28 -0.26 0.00 0.12 0.00 0.00 56.93 57.22 1suh s PHE 17 Cb -0.11 -1.79 -0.09 0.00 -0.57 0.00 0.00 43.02 40.46 1suh s PHE 17 CO 0.06 0.49 1.17 -1.25 -0.10 0.00 0.00 175.22 175.58 1suh s PRO 18 N -2.97 4.20 -0.12 0.24 0.04 -1.26 -5.08 135.00 130.05 1suh s PRO 18 Ca 0.37 1.86 -0.04 0.00 0.04 0.00 0.00 61.00 63.22 1suh s PRO 18 Cb -0.12 -2.81 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 1suh s PRO 18 CO 0.28 -0.19 0.01 0.21 0.04 0.00 0.00 177.00 177.35 1suh s LYS 19 N -2.10 3.37 0.06 4.56 2.20 0.09 -4.85 119.74 123.07 1suh s LYS 19 Ca 0.54 -0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 55.44 1suh s LYS 19 Cb -0.31 -2.93 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 1suh s LYS 19 CO 0.40 0.52 1.15 -0.80 -0.36 0.00 0.00 175.35 176.26 1suh s ASN 20 N -0.36 7.14 -0.14 1.43 0.02 -1.26 -0.54 114.94 121.23 1suh s ASN 20 Ca 0.07 1.96 -0.14 0.00 -1.02 0.00 0.00 52.86 53.74 1suh s ASN 20 Cb -0.12 -2.58 -0.05 0.00 0.02 0.00 0.00 41.25 38.52 1suh s ASN 20 CO 0.02 -0.42 -0.26 0.18 0.02 0.00 0.00 177.10 176.64 1suh n LEU 21 N 3.82 1.51 -3.44 0.60 4.77 0.09 -4.93 117.00 119.43 1suh n LEU 21 Ca 0.08 0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 56.22 1suh n LEU 21 Cb 0.47 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 40.85 1suh n LEU 21 CO 0.55 -0.33 0.43 0.54 -1.33 0.00 0.00 177.39 177.25 1suh s VAL 22 N -2.46 0.00 0.53 4.08 0.11 -1.05 -5.01 120.40 116.61 1suh s VAL 22 Ca -0.22 -0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 58.69 1suh s VAL 22 Cb 0.03 -1.01 -0.06 0.00 -1.53 0.00 0.00 36.38 33.81 1suh s VAL 22 CO 0.32 0.00 0.95 -1.58 -3.33 0.00 0.00 175.10 171.47 1suh s GLN 23 N -3.68 3.78 0.32 1.54 0.74 -1.26 -0.45 119.66 120.65 1suh s GLN 23 Ca 0.02 0.76 0.06 0.00 0.05 0.00 0.00 55.36 56.24 1suh s GLN 23 Cb -0.01 -2.17 -0.01 0.00 1.10 0.00 0.00 33.01 31.91 1suh s GLN 23 CO -0.12 -0.33 0.46 0.42 -0.55 0.00 0.00 175.29 175.17 1suh s ILE 24 N -2.78 4.37 -0.04 -2.34 1.01 0.24 -4.82 121.20 116.85 1suh s ILE 24 Ca 0.56 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 1suh s ILE 24 Cb -0.10 -3.53 0.03 0.00 0.01 0.00 0.00 42.46 38.87 1suh s ILE 24 CO 0.40 -0.22 0.06 -0.54 0.00 0.00 0.00 174.94 174.64 1suh s LYS 25 N -4.16 -0.05 0.00 2.79 1.02 -1.26 -4.97 119.74 113.11 1suh s LYS 25 Ca 0.43 0.32 0.00 0.00 0.02 0.00 0.00 55.97 56.73 1suh s LYS 25 Cb -0.09 -0.37 0.00 0.00 -0.52 0.00 0.00 37.83 36.84 1suh s LYS 25 CO 0.31 -0.26 0.00 0.45 -0.92 0.00 0.00 175.35 174.94 1suh n SER 26 N 4.79 0.00 0.00 2.83 2.88 -1.26 -4.46 113.62 118.41 1suh n SER 26 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1suh n SER 26 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1suh n SER 26 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1suh n ASN 27 N 0.00 0.00 0.00 -3.46 0.23 -1.26 -4.25 115.26 106.52 1suh n ASN 27 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1suh n ASN 27 Cb 0.00 0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1suh n ASN 27 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1suh n ARG 28 N -2.13 0.00 0.00 -3.83 5.12 -1.26 -2.46 116.66 112.09 1suh n ARG 28 Ca 0.00 0.30 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 1suh n ARG 28 Cb 0.00 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 29.79 1suh n ARG 28 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1suh n ASP 29 N -1.29 0.17 -0.00 0.55 5.75 -1.26 -1.51 116.55 118.95 1suh n ASP 29 Ca 0.00 -0.58 0.07 0.00 -0.01 0.00 0.00 54.79 54.28 1suh n ASP 29 Cb 0.01 -0.09 -0.09 0.00 -1.03 0.00 0.00 41.12 39.92 1suh n ASP 29 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1suh n LYS 30 N 0.01 1.75 -0.08 0.11 4.76 -1.03 -4.61 118.16 119.08 1suh n LYS 30 Ca 0.00 -0.03 -0.10 0.00 -2.87 0.00 0.00 58.31 55.31 1suh n LYS 30 Cb 0.04 -1.23 -0.08 0.00 -1.84 0.00 0.00 35.03 31.92 1suh n LYS 30 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1suh n GLU 31 N -1.50 0.74 -3.53 1.97 0.28 -0.57 -5.06 120.64 112.96 1suh n GLU 31 Ca 0.02 0.07 -0.17 0.00 -0.16 0.00 0.00 57.16 56.92 1suh n GLU 31 Cb 0.27 -1.33 -0.06 0.00 1.43 0.00 0.00 31.44 31.75 1suh n GLU 31 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1suh s THR 32 N -2.32 0.00 -0.41 3.84 -1.32 -1.23 -5.09 115.64 109.11 1suh s THR 32 Ca -0.19 -0.04 -0.36 0.00 -1.21 0.00 0.00 61.69 59.90 1suh s THR 32 Cb 0.05 -0.98 -0.13 0.00 -1.51 0.00 0.00 72.50 69.94 1suh s THR 32 CO 0.41 -0.02 2.23 1.17 -2.21 0.00 0.00 174.62 176.19 1suh n LYS 33 N 0.83 0.86 -3.96 7.08 4.81 -1.26 -4.52 118.16 122.00 1suh n LYS 33 Ca -0.19 0.22 -0.36 0.00 -0.87 0.00 0.00 58.31 57.11 1suh n LYS 33 Cb 0.58 -2.32 -0.06 0.00 0.02 0.00 0.00 35.03 33.24 1suh n LYS 33 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1suh s VAL 34 N 7.49 5.31 0.26 3.15 0.11 -1.26 -0.38 120.40 135.09 1suh s VAL 34 Ca 1.12 0.09 0.05 0.00 -2.93 0.00 0.00 61.98 60.30 1suh s VAL 34 Cb -0.93 -3.32 -0.03 0.00 -1.53 0.00 0.00 36.38 30.56 1suh s VAL 34 CO 0.50 0.58 0.40 -0.36 -3.33 0.00 0.00 175.10 172.89 1suh s PHE 35 N -1.05 3.43 0.49 1.54 0.40 0.11 -4.82 117.98 118.08 1suh s PHE 35 Ca 0.16 0.01 0.06 0.00 -0.60 0.00 0.00 56.93 56.57 1suh s PHE 35 Cb -0.12 -1.65 0.00 0.00 0.51 0.00 0.00 43.02 41.76 1suh s PHE 35 CO 0.06 0.36 0.31 0.71 0.70 0.00 0.00 175.22 177.35 1suh s TYR 36 N -2.04 2.06 -0.18 0.36 1.51 0.27 -1.11 117.35 118.22 1suh s TYR 36 Ca 0.36 -0.73 -0.27 0.00 -1.01 0.00 0.00 57.07 55.41 1suh s TYR 36 Cb -0.09 -1.94 0.07 0.00 -0.11 0.00 0.00 41.96 39.89 1suh s TYR 36 CO 0.30 -0.19 0.72 -1.12 -1.11 0.00 0.00 175.55 174.15 1suh s SER 37 N -4.12 -0.70 0.12 2.29 0.01 0.08 -3.96 113.70 107.41 1suh s SER 37 Ca 0.35 1.13 0.10 0.00 1.31 0.00 0.00 55.95 58.85 1suh s SER 37 Cb -0.00 1.07 -0.04 0.00 0.21 0.00 0.00 66.02 67.26 1suh s SER 37 CO 0.21 -0.39 -0.26 -0.51 0.41 0.00 0.00 173.24 172.71 1suh s ILE 38 N -0.25 2.13 0.14 1.44 2.07 -1.26 -0.92 121.20 124.55 1suh s ILE 38 Ca -0.04 -1.70 -0.24 0.00 -1.41 0.00 0.00 60.65 57.27 1suh s ILE 38 Cb -0.03 -1.89 0.07 0.00 0.13 0.00 0.00 42.46 40.74 1suh s ILE 38 CO 0.04 0.07 0.61 0.28 -1.91 0.00 0.00 174.94 174.03 1suh s THR 39 N -1.07 0.00 0.00 4.00 -1.32 0.15 -4.84 115.64 112.56 1suh s THR 39 Ca 0.12 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 1suh s THR 39 Cb -0.10 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 1suh s THR 39 CO 0.05 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 1suh n GLY 40 N -0.30 0.77 3.60 6.08 0.00 -1.26 -1.08 105.19 113.00 1suh n GLY 40 Ca -0.17 -2.22 -0.46 0.00 0.00 0.00 0.00 46.02 43.17 1suh n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1suh n GLN 41 N -0.47 1.39 0.00 1.61 10.64 -1.26 -0.93 117.38 128.36 1suh n GLN 41 Ca 0.00 0.49 0.00 0.00 -1.83 0.00 0.00 57.00 55.66 1suh n GLN 41 Cb 0.00 -1.97 0.00 0.00 -0.86 0.00 0.00 30.24 27.41 1suh n GLN 41 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1suh n GLY 42 N 1.73 3.11 0.05 2.61 0.00 -0.24 -4.82 105.19 107.62 1suh n GLY 42 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1suh n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1suh n ALA 43 N -0.43 0.91 -0.05 4.61 0.00 -0.11 0.10 120.51 125.54 1suh n ALA 43 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.43 1suh n ALA 43 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 1suh n ALA 43 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1suh n ASP 44 N -1.42 0.08 -4.92 0.00 5.68 -1.03 -1.79 116.55 113.14 1suh n ASP 44 Ca 0.00 0.03 -0.30 0.00 -0.50 0.00 0.00 54.79 54.02 1suh n ASP 44 Cb 0.00 1.39 -0.04 0.00 -1.14 0.00 0.00 41.12 41.33 1suh n ASP 44 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1suh s LYS 45 N -3.01 3.46 0.20 0.11 1.02 -1.05 -4.71 119.74 115.77 1suh s LYS 45 Ca -0.08 -0.44 -0.32 0.00 0.02 0.00 0.00 55.97 55.15 1suh s LYS 45 Cb 0.10 -3.00 -0.13 0.00 -0.52 0.00 0.00 37.83 34.28 1suh s LYS 45 CO 0.86 0.57 1.52 -2.30 -0.92 0.00 0.00 175.35 175.09 1suh n PRO 46 N 0.05 2.19 -2.10 -1.68 -0.01 -1.26 -1.08 135.00 131.11 1suh n PRO 46 Ca -0.05 0.78 -0.43 0.00 -0.01 0.00 0.00 63.50 63.80 1suh n PRO 46 Cb 0.52 -2.52 -0.03 0.00 -0.01 0.00 0.00 33.50 31.47 1suh n PRO 46 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 175.50 174.24 1suh s PRO 47 N 0.31 3.94 0.13 0.52 0.04 -1.26 -4.34 135.00 134.34 1suh s PRO 47 Ca 0.73 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 63.31 1suh s PRO 47 Cb -0.64 -4.00 -0.06 0.00 0.04 0.00 0.00 34.50 29.83 1suh s PRO 47 CO 0.43 -1.12 0.94 0.54 0.04 0.00 0.00 177.00 177.83 1suh s VAL 48 N 4.75 4.45 0.00 -0.36 0.11 -0.96 -1.75 120.40 126.64 1suh s VAL 48 Ca 0.71 2.04 0.00 0.00 -2.93 0.00 0.00 61.98 61.80 1suh s VAL 48 Cb -0.27 -4.31 0.00 0.00 -1.53 0.00 0.00 36.38 30.27 1suh s VAL 48 CO 0.28 0.35 0.00 0.61 -3.33 0.00 0.00 175.10 173.01 1suh n GLY 49 N 2.14 0.21 0.00 6.54 0.00 -0.74 -4.95 105.19 108.39 1suh n GLY 49 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1suh n GLY 49 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1suh n VAL 50 N -0.95 0.00 -5.03 1.61 0.31 0.11 -4.75 118.33 109.63 1suh n VAL 50 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.05 1suh n VAL 50 Cb 0.41 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.19 1suh n VAL 50 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1suh s PHE 51 N -1.00 2.04 -0.03 3.52 0.40 0.04 -0.13 117.98 122.82 1suh s PHE 51 Ca 0.00 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1suh s PHE 51 Cb 0.00 -1.29 0.03 0.00 0.51 0.00 0.00 43.02 42.27 1suh s PHE 51 CO 0.00 0.01 0.05 0.96 0.70 0.00 0.00 175.22 176.94 1suh s ILE 52 N -0.61 -0.09 -0.09 0.64 -0.00 0.32 -4.54 121.20 116.83 1suh s ILE 52 Ca 0.09 0.30 0.01 0.00 -0.00 0.00 0.00 60.65 61.05 1suh s ILE 52 Cb -0.09 -0.12 -0.02 0.00 -0.00 0.00 0.00 42.46 42.22 1suh s ILE 52 CO -0.00 0.13 -0.10 -0.51 -0.00 0.00 0.00 174.94 174.45 1suh s ILE 53 N 1.54 3.38 -0.51 8.37 -1.16 -1.26 -0.37 121.20 131.19 1suh s ILE 53 Ca -0.03 -0.58 -0.29 0.00 -0.51 0.00 0.00 60.65 59.25 1suh s ILE 53 Cb -0.13 -2.40 0.03 0.00 0.61 0.00 0.00 42.46 40.58 1suh s ILE 53 CO -0.03 0.56 1.15 -0.70 -2.81 0.00 0.00 174.94 173.11 1suh s GLU 54 N -0.29 3.64 0.34 3.50 2.56 -0.38 -4.79 118.70 123.28 1suh s GLU 54 Ca 0.03 0.43 0.21 0.00 0.00 0.00 0.00 54.97 55.64 1suh s GLU 54 Cb -0.13 -3.95 1.12 0.00 2.00 0.00 0.00 34.13 33.18 1suh s GLU 54 CO 0.03 -1.49 1.61 0.07 -0.56 0.00 0.00 175.26 174.92 1suh h ARG 55 N 9.34 0.00 0.00 4.30 0.11 -1.91 0.98 114.38 127.19 1suh h ARG 55 Ca -0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.84 1suh h ARG 55 Cb 1.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.14 1suh h ARG 55 CO 1.15 0.00 -0.17 0.39 0.10 0.00 0.00 179.97 181.44 1suh n GLU 56 N -2.25 0.13 0.06 0.08 1.02 -1.26 -0.57 120.64 117.85 1suh n GLU 56 Ca -0.01 0.26 0.13 0.00 -0.02 0.00 0.00 57.16 57.52 1suh n GLU 56 Cb 0.10 -0.95 0.45 0.00 -0.02 0.00 0.00 31.44 31.02 1suh n GLU 56 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1suh n THR 57 N -2.92 0.36 -1.21 2.62 -2.24 -1.20 -4.79 114.28 104.90 1suh n THR 57 Ca -0.02 -0.18 -0.07 0.00 -2.27 0.00 0.00 64.05 61.50 1suh n THR 57 Cb 0.09 -0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 67.80 1suh n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1suh n GLY 58 N 1.38 0.93 3.66 3.38 0.00 0.34 -4.76 105.19 110.12 1suh n GLY 58 Ca 0.06 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 1suh n GLY 58 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1suh s TRP 59 N -2.24 2.87 -0.39 1.61 0.52 -1.24 -0.59 118.94 119.49 1suh s TRP 59 Ca 0.00 1.03 -0.20 0.00 0.02 0.00 0.00 56.10 56.95 1suh s TRP 59 Cb 0.00 -3.49 0.01 0.00 -1.15 0.00 0.00 33.47 28.84 1suh s TRP 59 CO 0.00 -1.65 0.61 -1.17 0.02 0.00 0.00 176.95 174.75 1suh s LEU 60 N 3.44 4.39 0.28 2.99 0.20 0.40 -1.25 118.68 129.13 1suh s LEU 60 Ca 0.54 -0.10 0.10 0.00 0.69 0.00 0.00 54.13 55.37 1suh s LEU 60 Cb -0.22 -2.71 -0.05 0.00 -0.43 0.00 0.00 46.19 42.79 1suh s LEU 60 CO 0.15 -0.64 -0.07 -0.54 -0.29 0.00 0.00 176.35 174.95 1suh s LYS 61 N 2.67 2.03 -0.02 1.98 1.02 0.50 -0.73 119.74 127.18 1suh s LYS 61 Ca 0.22 -1.60 0.07 0.00 0.02 0.00 0.00 55.97 54.68 1suh s LYS 61 Cb -0.15 -1.98 -0.02 0.00 -0.52 0.00 0.00 37.83 35.17 1suh s LYS 61 CO 0.16 0.32 -0.24 0.14 -0.92 0.00 0.00 175.35 174.80 1suh s VAL 62 N -2.42 1.91 -0.13 3.17 -7.23 0.30 -0.52 120.40 115.48 1suh s VAL 62 Ca 0.31 -1.03 0.17 0.00 -1.81 0.00 0.00 61.98 59.62 1suh s VAL 62 Cb -0.05 -1.59 -0.12 0.00 0.56 0.00 0.00 36.38 35.18 1suh s VAL 62 CO 0.18 0.54 0.88 0.74 -0.31 0.00 0.00 175.10 177.13 1suh h THR 63 N 4.61 0.51 -3.61 5.32 2.02 -0.84 0.30 112.91 121.21 1suh h THR 63 Ca -0.40 -1.98 -0.28 0.00 0.77 0.00 0.00 66.41 64.51 1suh h THR 63 Cb 1.13 2.04 -0.32 0.00 -1.74 0.00 0.00 68.15 69.27 1suh h THR 63 CO 0.47 0.29 -0.73 -1.10 0.37 0.00 0.00 175.52 174.82 1suh s GLN 64 N -2.94 0.04 1.13 6.66 -0.21 -1.19 -4.73 119.66 118.42 1suh s GLN 64 Ca -0.02 0.09 -0.13 0.00 0.02 0.00 0.00 55.36 55.32 1suh s GLN 64 Cb 0.09 -0.20 0.26 0.00 1.00 0.00 0.00 33.01 34.15 1suh s GLN 64 CO 0.81 -0.09 0.98 -0.35 -2.12 0.00 0.00 175.29 174.51 1suh n PRO 65 N 3.74 -2.08 -2.53 2.91 -0.04 -1.26 -4.93 135.00 130.80 1suh n PRO 65 Ca -0.22 -0.57 -0.22 0.00 -0.04 0.00 0.00 63.50 62.45 1suh n PRO 65 Cb 0.54 -2.18 0.05 0.00 -0.04 0.00 0.00 33.50 31.87 1suh n PRO 65 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1suh s LEU 66 N -6.76 3.15 -0.32 1.53 1.43 -1.19 -4.78 118.68 111.74 1suh s LEU 66 Ca 0.68 0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1suh s LEU 66 Cb -0.24 -2.87 0.10 0.00 0.03 0.00 0.00 46.19 43.21 1suh s LEU 66 CO 0.64 -1.29 0.12 -0.62 0.23 0.00 0.00 176.35 175.43 1suh s ASP 67 N -4.47 3.92 0.48 2.29 2.15 -1.26 -2.96 116.67 116.83 1suh s ASP 67 Ca 0.58 -1.70 0.24 0.00 0.43 0.00 0.00 52.55 52.10 1suh s ASP 67 Cb -0.10 -0.81 1.28 0.00 -0.30 0.00 0.00 42.92 42.99 1suh s ASP 67 CO 0.40 -0.40 1.91 -0.09 -0.17 0.00 0.00 175.17 176.81 1suh h ARG 68 N 7.98 0.18 0.00 4.34 2.43 -1.91 0.46 114.38 127.87 1suh h ARG 68 Ca -0.13 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.97 1suh h ARG 68 Cb 1.01 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1suh h ARG 68 CO 0.46 0.12 -0.29 0.93 -1.51 0.00 0.00 179.97 179.69 1suh h GLU 69 N 0.19 0.00 0.11 0.20 4.39 -2.01 -3.19 114.58 114.27 1suh h GLU 69 Ca 0.39 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.73 1suh h GLU 69 Cb 1.27 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 1suh h GLU 69 CO -0.08 0.29 -2.03 0.00 -1.16 0.00 0.00 179.01 176.03 1suh n ALA 70 N -2.29 0.97 -3.15 3.43 0.00 0.14 -5.03 120.51 114.57 1suh n ALA 70 Ca -0.01 -0.65 -0.02 0.00 0.00 0.00 0.00 53.44 52.76 1suh n ALA 70 Cb 0.43 -0.64 -0.01 0.00 0.00 0.00 0.00 19.45 19.23 1suh n ALA 70 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1suh n ILE 71 N -3.43 0.00 -0.02 0.00 5.41 0.31 -5.07 119.36 116.57 1suh n ILE 71 Ca -0.32 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.15 1suh n ILE 71 Cb 1.04 0.16 0.00 0.00 -0.71 0.00 0.00 39.64 40.13 1suh n ILE 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1suh n ALA 72 N -2.69 0.00 -3.66 -1.39 0.00 -1.26 -4.05 120.51 107.46 1suh n ALA 72 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.35 1suh n ALA 72 Cb 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 1suh n ALA 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1suh s LYS 73 N 0.00 0.47 -0.14 0.00 2.20 -1.26 -0.55 119.74 120.45 1suh s LYS 73 Ca 0.00 1.11 -0.09 0.00 -0.36 0.00 0.00 55.97 56.63 1suh s LYS 73 Cb 0.00 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.61 1suh s LYS 73 CO 0.00 -0.20 0.16 0.71 -0.36 0.00 0.00 175.35 175.66 1suh s TYR 74 N 2.20 3.53 -0.05 4.03 1.51 0.20 -4.94 117.35 123.84 1suh s TYR 74 Ca -0.06 0.49 -0.02 0.00 -1.01 0.00 0.00 57.07 56.47 1suh s TYR 74 Cb -0.10 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 1suh s TYR 74 CO -0.16 0.55 0.07 0.42 -1.11 0.00 0.00 175.55 175.32 1suh s ILE 75 N -0.46 4.75 0.04 2.71 1.01 -1.26 -0.70 121.20 127.28 1suh s ILE 75 Ca 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 1suh s ILE 75 Cb -0.12 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 1suh s ILE 75 CO 0.02 0.47 -0.02 -0.22 0.00 0.00 0.00 174.94 175.19 1suh s LEU 76 N -1.38 2.37 -0.07 2.97 2.96 -0.01 -4.60 118.68 120.92 1suh s LEU 76 Ca 0.19 -0.84 0.05 0.00 -0.22 0.00 0.00 54.13 53.30 1suh s LEU 76 Cb -0.12 0.21 -0.00 0.00 0.50 0.00 0.00 46.19 46.78 1suh s LEU 76 CO 0.09 -0.52 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.07 1suh s TYR 77 N -3.24 2.23 0.20 5.38 1.51 -0.24 0.78 117.35 123.97 1suh s TYR 77 Ca 0.01 -0.77 0.07 0.00 -1.01 0.00 0.00 57.07 55.37 1suh s TYR 77 Cb 0.03 -1.49 -0.05 0.00 -0.11 0.00 0.00 41.96 40.34 1suh s TYR 77 CO -0.07 -0.28 -0.13 -1.54 -1.11 0.00 0.00 175.55 172.42 1suh s SER 78 N 0.13 2.42 0.06 2.29 1.04 0.01 0.31 113.70 119.96 1suh s SER 78 Ca -0.10 -1.03 0.04 0.00 0.48 0.00 0.00 55.95 55.34 1suh s SER 78 Cb -0.15 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.83 1suh s SER 78 CO 0.05 -0.22 -0.11 -1.00 0.98 0.00 0.00 173.24 172.94 1suh s HIS 79 N -3.05 0.99 0.02 5.02 3.76 -0.09 -3.16 115.29 118.76 1suh s HIS 79 Ca 0.22 -0.51 0.08 0.00 -0.15 0.00 0.00 55.06 54.71 1suh s HIS 79 Cb 0.00 -0.56 -0.02 0.00 1.11 0.00 0.00 32.58 33.11 1suh s HIS 79 CO 0.06 -0.00 -0.25 0.00 -0.85 0.00 0.00 174.74 173.70 1suh s ALA 80 N -1.50 2.09 -0.02 -1.40 0.00 -1.26 -0.74 121.76 118.93 1suh s ALA 80 Ca -0.04 -1.15 -0.00 0.00 0.00 0.00 0.00 51.96 50.77 1suh s ALA 80 Cb -0.09 -0.47 0.03 0.00 0.00 0.00 0.00 23.12 22.59 1suh s ALA 80 CO 0.01 0.50 0.03 0.14 0.00 0.00 0.00 175.76 176.44 1suh s VAL 81 N -0.71 -0.06 0.11 0.00 -7.23 -0.26 0.28 120.40 112.52 1suh s VAL 81 Ca 0.10 0.24 -0.31 0.00 -1.81 0.00 0.00 61.98 60.20 1suh s VAL 81 Cb -0.10 -0.09 -0.10 0.00 0.56 0.00 0.00 36.38 36.65 1suh s VAL 81 CO 0.01 0.10 1.87 -1.54 -0.31 0.00 0.00 175.10 175.22 1suh n SER 82 N 4.27 4.07 0.00 4.85 3.41 0.60 0.08 113.62 130.90 1suh n SER 82 Ca -0.26 0.97 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 1suh n SER 82 Cb 0.50 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 1suh n SER 82 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1suh n SER 83 N 6.01 0.00 -0.00 4.04 2.88 0.49 -0.37 113.62 126.67 1suh n SER 83 Ca 0.18 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.62 1suh n SER 83 Cb 0.38 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.70 1suh n SER 83 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1suh h ASN 84 N 0.00 0.07 0.00 -3.46 7.08 -1.86 -3.48 115.58 113.94 1suh h ASN 84 Ca 0.00 -0.14 0.00 0.00 -3.08 0.00 0.00 56.30 53.08 1suh h ASN 84 Cb 0.00 -0.02 0.00 0.00 -2.08 0.00 0.00 38.32 36.22 1suh h ASN 84 CO 0.00 1.12 0.00 0.61 -2.08 0.00 0.00 177.43 177.08 1suh n GLY 85 N 1.58 0.97 3.21 9.14 0.00 0.50 -5.14 105.19 115.44 1suh n GLY 85 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1suh n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1suh s GLU 86 N 0.00 2.71 0.01 1.61 0.41 -1.21 -4.99 118.70 117.24 1suh s GLU 86 Ca 0.00 -0.82 -0.30 0.00 -0.41 0.00 0.00 54.97 53.43 1suh s GLU 86 Cb 0.00 -2.13 -0.06 0.00 -1.78 0.00 0.00 34.13 30.16 1suh s GLU 86 CO 0.00 0.22 1.41 0.00 -0.49 0.00 0.00 175.26 176.40 1suh s ALA 87 N 0.22 3.58 -0.03 5.21 0.00 -1.26 -0.29 121.76 129.19 1suh s ALA 87 Ca -0.14 0.91 0.16 0.00 0.00 0.00 0.00 51.96 52.90 1suh s ALA 87 Cb -0.16 -3.59 0.30 0.00 0.00 0.00 0.00 23.12 19.66 1suh s ALA 87 CO 0.07 -0.89 1.13 1.33 0.00 0.00 0.00 175.76 177.39 1suh n VAL 88 N 4.61 0.36 -1.88 0.00 0.24 -0.87 -4.85 118.33 115.93 1suh n VAL 88 Ca 0.13 -1.04 -0.29 0.00 -2.04 0.00 0.00 64.34 61.10 1suh n VAL 88 Cb 0.43 0.65 0.08 0.00 -1.47 0.00 0.00 33.84 33.53 1suh n VAL 88 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1suh s GLU 89 N -0.53 2.25 -0.26 7.34 -1.05 0.81 -4.46 118.70 122.81 1suh s GLU 89 Ca 0.25 0.24 -0.23 0.00 -0.15 0.00 0.00 54.97 55.08 1suh s GLU 89 Cb 0.27 -1.97 0.07 0.00 -0.44 0.00 0.00 34.13 32.06 1suh s GLU 89 CO -0.10 -1.42 0.69 -0.51 0.95 0.00 0.00 175.26 174.88 1suh s ASP 90 N -4.48 -0.76 -0.82 0.83 1.11 -1.26 -4.77 116.67 106.52 1suh s ASP 90 Ca 0.61 1.42 -0.18 0.00 0.18 0.00 0.00 52.55 54.57 1suh s ASP 90 Cb -0.11 1.41 -0.20 0.00 1.07 0.00 0.00 42.92 45.09 1suh s ASP 90 CO 0.50 -0.24 2.16 -2.65 1.18 0.00 0.00 175.17 176.12 1suh n PRO 91 N 2.95 0.27 -4.16 8.23 -0.01 -1.26 -4.63 135.00 136.39 1suh n PRO 91 Ca -0.15 -0.64 -0.34 0.00 -0.01 0.00 0.00 63.50 62.36 1suh n PRO 91 Cb 0.56 -2.66 -0.12 0.00 -0.01 0.00 0.00 33.50 31.27 1suh n PRO 91 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 175.50 173.85 1suh s MET 92 N 7.91 3.69 -0.35 -0.52 -1.94 -1.19 -5.01 119.30 121.90 1suh s MET 92 Ca 0.94 -0.49 -0.12 0.00 -1.71 0.00 0.00 55.69 54.31 1suh s MET 92 Cb -0.32 -3.06 0.00 0.00 2.01 0.00 0.00 34.83 33.46 1suh s MET 92 CO 0.24 0.12 0.22 -1.83 -0.01 0.00 0.00 175.02 173.76 1suh s GLU 93 N 0.72 3.21 0.07 2.03 -1.05 -1.26 -0.81 118.70 121.62 1suh s GLU 93 Ca 0.00 -0.83 -0.19 0.00 -0.15 0.00 0.00 54.97 53.80 1suh s GLU 93 Cb -0.14 -3.76 -0.07 0.00 -0.44 0.00 0.00 34.13 29.73 1suh s GLU 93 CO 0.02 -0.55 0.57 0.42 0.95 0.00 0.00 175.26 176.68 1suh s ILE 94 N 1.65 4.74 -0.18 1.83 1.01 0.23 -4.90 121.20 125.58 1suh s ILE 94 Ca 0.05 1.23 -0.04 0.00 0.00 0.00 0.00 60.65 61.88 1suh s ILE 94 Cb -0.18 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 1suh s ILE 94 CO 0.08 0.55 -0.02 -0.69 0.00 0.00 0.00 174.94 174.86 1suh s VAL 95 N -1.08 3.87 -0.17 2.92 1.01 -1.13 -0.83 120.40 124.98 1suh s VAL 95 Ca 0.29 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1suh s VAL 95 Cb -0.20 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.49 1suh s VAL 95 CO 0.19 0.46 -0.16 -0.63 0.00 0.00 0.00 175.10 174.96 1suh s ILE 96 N 0.75 1.80 0.21 2.22 1.01 0.12 -0.28 121.20 127.03 1suh s ILE 96 Ca -0.01 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.71 1suh s ILE 96 Cb -0.14 -1.70 -0.07 0.00 0.01 0.00 0.00 42.46 40.56 1suh s ILE 96 CO 0.02 0.42 0.50 0.28 0.00 0.00 0.00 174.94 176.17 1suh s THR 97 N 1.38 5.00 0.16 2.92 -1.32 0.12 0.61 115.64 124.51 1suh s THR 97 Ca 0.03 0.31 -0.05 0.00 -1.21 0.00 0.00 61.69 60.78 1suh s THR 97 Cb -0.14 -3.63 -0.06 0.00 -1.51 0.00 0.00 72.50 67.17 1suh s THR 97 CO -0.11 -0.07 0.41 -0.69 -2.21 0.00 0.00 174.62 171.95 1suh s VAL 98 N -1.80 5.14 0.06 5.08 1.01 0.29 -0.62 120.40 129.55 1suh s VAL 98 Ca 0.45 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.54 1suh s VAL 98 Cb -0.11 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1suh s VAL 98 CO 0.23 -0.01 -0.14 0.42 0.00 0.00 0.00 175.10 175.60 1suh s THR 99 N -1.71 1.10 0.00 3.92 -4.23 -1.13 -4.90 115.64 108.68 1suh s THR 99 Ca 0.42 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 1suh s THR 99 Cb -0.12 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 72.68 1suh s THR 99 CO 0.25 -0.16 0.00 -0.67 -0.54 0.00 0.00 174.62 173.50 1suh n ASP 100 N 1.47 -0.47 -3.85 3.99 2.03 -1.26 -2.12 116.55 116.33 1suh n ASP 100 Ca -0.20 -0.28 -0.10 0.00 0.52 0.00 0.00 54.79 54.73 1suh n ASP 100 Cb 0.54 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.90 1suh n ASP 100 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1suh s GLN 101 N -1.55 1.63 -1.22 -0.67 -0.44 -1.26 -4.26 119.66 111.90 1suh s GLN 101 Ca 0.00 -1.31 -0.11 0.00 -2.50 0.00 0.00 55.36 51.44 1suh s GLN 101 Cb 0.00 0.48 0.19 0.00 -1.64 0.00 0.00 33.01 32.04 1suh s GLN 101 CO 0.00 -0.69 1.57 0.09 0.50 0.00 0.00 175.29 176.77 1suh n ASN 102 N -0.55 5.31 -4.77 6.67 5.03 -1.26 -5.00 115.26 120.68 1suh n ASN 102 Ca -0.02 -3.07 -0.33 0.00 0.87 0.00 0.00 54.58 52.03 1suh n ASN 102 Cb 0.62 -1.49 0.04 0.00 -1.02 0.00 0.00 39.78 37.93 1suh n ASN 102 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1suh s ASP 103 N 1.53 5.19 0.00 6.41 1.11 -1.26 -5.28 116.67 124.38 1suh s ASP 103 Ca 0.39 2.00 0.00 0.00 0.18 0.00 0.00 52.55 55.12 1suh s ASP 103 Cb 0.02 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.46 1suh s ASP 103 CO 0.00 -1.57 0.00 -3.20 1.18 0.00 0.00 175.17 171.58