#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 2.53 -0.43 -0.67 0.52 -1.26 -4.79 118.94 114.85 1suh s TRP 2 Ca 0.00 -0.92 0.07 0.00 0.02 0.00 0.00 56.10 55.27 1suh s TRP 2 Cb 0.00 -4.66 0.18 0.00 -1.15 0.00 0.00 33.47 27.84 1suh s TRP 2 CO 0.00 -1.88 0.58 0.08 0.02 0.00 0.00 176.95 175.75 1suh s VAL 3 N 5.24 -0.79 -0.42 4.03 1.01 -1.26 -4.67 120.40 123.54 1suh s VAL 3 Ca 0.50 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.96 1suh s VAL 3 Cb 0.01 -0.21 0.18 0.00 0.00 0.00 0.00 36.38 36.36 1suh s VAL 3 CO -0.05 -0.19 0.68 -0.51 0.00 0.00 0.00 175.10 175.03 1suh s ILE 4 N 1.44 -0.94 0.18 2.22 2.07 -1.26 -5.04 121.20 119.87 1suh s ILE 4 Ca 0.20 -0.17 -0.12 0.00 -1.41 0.00 0.00 60.65 59.15 1suh s ILE 4 Cb -0.05 0.00 0.08 0.00 0.13 0.00 0.00 42.46 42.62 1suh s ILE 4 CO -0.06 0.00 1.79 -0.65 -1.91 0.00 0.00 174.94 174.10 1suh h PRO 5 N 6.53 0.84 -6.83 3.50 0.11 -1.97 -3.44 132.00 130.75 1suh h PRO 5 Ca 0.05 -0.10 -0.51 0.00 0.11 0.00 0.00 66.00 65.54 1suh h PRO 5 Cb 1.17 -0.16 0.04 0.00 0.11 0.00 0.00 31.00 32.16 1suh h PRO 5 CO 0.07 0.65 0.55 -1.25 -0.21 0.00 0.00 178.00 177.81 1suh s PRO 6 N -5.83 4.52 0.14 1.05 0.04 -1.26 -2.71 135.00 130.95 1suh s PRO 6 Ca -0.13 1.97 -0.04 0.00 0.04 0.00 0.00 61.00 62.85 1suh s PRO 6 Cb 0.13 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 1suh s PRO 6 CO 0.78 0.04 0.13 0.42 0.04 0.00 0.00 177.00 178.40 1suh s ILE 7 N -1.08 0.09 0.03 0.56 -1.09 0.14 -4.92 121.20 114.93 1suh s ILE 7 Ca 0.47 -1.74 0.02 0.00 -2.23 0.00 0.00 60.65 57.16 1suh s ILE 7 Cb -0.35 -1.98 -0.02 0.00 -1.58 0.00 0.00 42.46 38.52 1suh s ILE 7 CO 0.45 -0.41 -0.07 -0.94 -1.23 0.00 0.00 174.94 172.75 1suh s SER 8 N -3.02 0.76 -0.03 3.58 1.04 -1.26 -0.95 113.70 113.81 1suh s SER 8 Ca 0.22 -0.46 -0.01 0.00 0.48 0.00 0.00 55.95 56.18 1suh s SER 8 Cb 0.06 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.23 1suh s SER 8 CO 0.01 -0.16 0.05 0.00 0.98 0.00 0.00 173.24 174.13 1suh s PRO 10 N 1.73 0.72 0.10 0.00 0.04 -1.26 -2.79 135.00 133.55 1suh s PRO 10 Ca -0.01 0.94 0.06 0.00 0.04 0.00 0.00 61.00 62.04 1suh s PRO 10 Cb -0.12 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1suh s PRO 10 CO -0.03 -2.64 -0.07 -1.83 0.04 0.00 0.00 177.00 172.47 1suh s GLU 11 N -4.78 2.25 -1.64 4.56 -1.05 -1.22 -3.15 118.70 113.66 1suh s GLU 11 Ca 0.65 -0.98 -0.02 0.00 -0.15 0.00 0.00 54.97 54.47 1suh s GLU 11 Cb -0.20 -2.37 0.00 0.00 -0.44 0.00 0.00 34.13 31.12 1suh s GLU 11 CO 0.59 0.51 0.23 0.09 0.95 0.00 0.00 175.26 177.63 1suh n ASN 12 N 0.62 -5.78 -4.67 0.83 3.02 -1.10 -4.74 115.26 103.44 1suh n ASN 12 Ca -0.12 -0.11 -0.45 0.00 -0.03 0.00 0.00 54.58 53.87 1suh n ASN 12 Cb 0.52 -4.77 -0.03 0.00 -0.61 0.00 0.00 39.78 34.90 1suh n ASN 12 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1suh n GLU 13 N -3.38 2.07 -3.77 3.52 1.02 -1.26 -4.97 120.64 113.86 1suh n GLU 13 Ca -0.19 0.74 -0.28 0.00 -0.02 0.00 0.00 57.16 57.42 1suh n GLU 13 Cb 0.65 -2.42 -0.03 0.00 -0.02 0.00 0.00 31.44 29.62 1suh n GLU 13 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1suh s LYS 14 N -0.23 3.50 0.00 3.49 0.00 -1.26 -4.80 119.74 120.44 1suh s LYS 14 Ca 0.69 -0.40 0.00 0.00 0.00 0.00 0.00 55.97 56.27 1suh s LYS 14 Cb -0.65 -2.89 0.00 0.00 0.00 0.00 0.00 37.83 34.29 1suh s LYS 14 CO 0.48 0.45 0.00 0.41 0.00 0.00 0.00 175.35 176.69 1suh n GLY 15 N -0.51 1.97 3.77 0.59 0.00 -1.26 -5.06 105.19 104.68 1suh n GLY 15 Ca -0.05 -2.09 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 1suh n GLY 15 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1suh s GLU 16 N -1.56 4.70 0.12 1.61 1.03 -1.26 -5.02 118.70 118.33 1suh s GLU 16 Ca 0.00 1.41 0.02 0.00 0.03 0.00 0.00 54.97 56.43 1suh s GLU 16 Cb 0.00 -3.02 -0.04 0.00 -0.80 0.00 0.00 34.13 30.28 1suh s GLU 16 CO 0.00 0.38 0.22 -0.06 -1.33 0.00 0.00 175.26 174.47 1suh s PHE 17 N -1.42 3.41 0.67 4.83 0.08 -1.26 -3.97 117.98 120.32 1suh s PHE 17 Ca 0.46 0.12 -0.13 0.00 0.12 0.00 0.00 56.93 57.50 1suh s PHE 17 Cb -0.22 -1.66 -0.00 0.00 -0.57 0.00 0.00 43.02 40.57 1suh s PHE 17 CO 0.28 0.54 1.07 -1.25 -0.10 0.00 0.00 175.22 175.75 1suh s PRO 18 N -2.95 2.98 -0.08 0.24 0.04 -1.26 -5.10 135.00 128.87 1suh s PRO 18 Ca 0.33 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.51 1suh s PRO 18 Cb -0.11 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1suh s PRO 18 CO 0.27 -1.07 -0.17 0.21 0.04 0.00 0.00 177.00 176.28 1suh s LYS 19 N -4.61 2.87 0.55 4.56 2.20 0.11 -4.90 119.74 120.53 1suh s LYS 19 Ca 0.61 -0.75 -0.18 0.00 -0.36 0.00 0.00 55.97 55.29 1suh s LYS 19 Cb -0.16 -2.42 -0.05 0.00 -1.51 0.00 0.00 37.83 33.69 1suh s LYS 19 CO 0.48 0.39 1.07 -0.80 -0.36 0.00 0.00 175.35 176.13 1suh s ASN 20 N -0.14 5.92 0.07 1.43 0.01 -1.26 -0.21 114.94 120.76 1suh s ASN 20 Ca -0.02 1.94 0.00 0.00 -0.71 0.00 0.00 52.86 54.07 1suh s ASN 20 Cb -0.14 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.97 1suh s ASN 20 CO 0.04 -1.07 0.00 0.18 -1.51 0.00 0.00 177.10 174.73 1suh n LEU 21 N -1.54 0.37 -3.43 0.60 4.77 0.78 -4.85 117.00 113.70 1suh n LEU 21 Ca 0.10 0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 56.07 1suh n LEU 21 Cb 0.52 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1suh n LEU 21 CO 0.44 -0.63 0.42 0.54 -1.33 0.00 0.00 177.39 176.83 1suh s VAL 22 N -1.47 0.00 0.65 4.08 0.11 -1.07 -4.99 120.40 117.71 1suh s VAL 22 Ca 0.00 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.92 1suh s VAL 22 Cb 0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1suh s VAL 22 CO 0.00 0.00 1.06 -1.10 -3.33 0.00 0.00 175.10 171.73 1suh s GLN 23 N -3.62 3.10 0.64 1.54 -0.21 -1.26 0.02 119.66 119.86 1suh s GLN 23 Ca 0.01 1.05 -0.02 0.00 0.02 0.00 0.00 55.36 56.42 1suh s GLN 23 Cb -0.01 -2.01 0.06 0.00 1.00 0.00 0.00 33.01 32.05 1suh s GLN 23 CO -0.12 -0.97 0.90 0.42 -2.12 0.00 0.00 175.29 173.40 1suh s ILE 24 N -2.81 2.44 -0.13 1.08 -1.09 0.85 -4.77 121.20 116.77 1suh s ILE 24 Ca 0.60 -0.51 -0.00 0.00 -2.23 0.00 0.00 60.65 58.51 1suh s ILE 24 Cb -0.15 -2.93 0.02 0.00 -1.58 0.00 0.00 42.46 37.83 1suh s ILE 24 CO 0.48 0.00 -0.10 -0.54 -1.23 0.00 0.00 174.94 173.55 1suh s LYS 25 N -5.00 1.83 0.00 2.79 3.01 -1.26 -5.03 119.74 116.08 1suh s LYS 25 Ca 0.60 -0.39 0.00 0.00 -1.01 0.00 0.00 55.97 55.17 1suh s LYS 25 Cb -0.10 -1.82 0.00 0.00 -1.01 0.00 0.00 37.83 34.91 1suh s LYS 25 CO 0.42 -0.26 0.00 0.45 0.51 0.00 0.00 175.35 176.46 1suh n SER 26 N 4.87 0.00 0.00 2.83 2.88 -1.26 -5.00 113.62 117.94 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 -3.20 -1.23 0.00 0.00 175.04 170.61 1suh n ASN 27 N 0.00 -0.01 -0.11 -3.46 2.85 -1.26 -4.92 115.26 108.35 1suh n ASN 27 Ca 0.00 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1suh n ASN 27 Cb 0.00 0.04 0.00 0.00 1.24 0.00 0.00 39.78 41.06 1suh n ASN 27 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1suh n ARG 28 N -2.07 0.72 0.00 1.20 3.00 -1.26 -3.93 116.66 114.32 1suh n ARG 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1suh n ARG 28 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 32.46 31.38 1suh n ARG 28 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1suh n ASP 29 N -0.36 0.39 -0.00 0.55 5.68 -1.26 -1.54 116.55 120.01 1suh n ASP 29 Ca 0.00 -0.69 0.01 0.00 -0.50 0.00 0.00 54.79 53.61 1suh n ASP 29 Cb 0.04 -0.17 -0.01 0.00 -1.14 0.00 0.00 41.12 39.83 1suh n ASP 29 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1suh n LYS 30 N 0.36 3.76 -0.13 0.11 5.02 -1.25 -4.75 118.16 121.28 1suh n LYS 30 Ca 0.00 -0.01 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 1suh n LYS 30 Cb 0.09 -0.78 -0.11 0.00 -0.02 0.00 0.00 35.03 34.20 1suh n LYS 30 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1suh n GLU 31 N -1.26 0.63 -3.49 1.97 0.28 -0.59 -5.05 120.64 113.12 1suh n GLU 31 Ca 0.00 0.16 -0.12 0.00 -0.16 0.00 0.00 57.16 57.03 1suh n GLU 31 Cb 0.04 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.38 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 -2.50 0.02 -0.27 3.84 -1.32 -1.23 -5.09 115.64 109.09 1suh s THR 32 Ca -0.34 -0.16 -0.36 0.00 -1.21 0.00 0.00 61.69 59.62 1suh s THR 32 Cb 0.09 -1.03 -0.13 0.00 -1.51 0.00 0.00 72.50 69.93 1suh s THR 32 CO 0.57 -0.09 1.99 1.17 -2.21 0.00 0.00 174.62 176.05 1suh n LYS 33 N -0.14 1.38 -3.80 7.08 4.81 -1.26 -4.61 118.16 121.62 1suh n LYS 33 Ca -0.17 0.46 -0.36 0.00 -0.87 0.00 0.00 58.31 57.36 1suh n LYS 33 Cb 0.63 -2.41 -0.07 0.00 0.02 0.00 0.00 35.03 33.21 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 5.44 5.45 0.32 3.15 0.11 -1.26 -0.74 120.40 132.87 1suh s VAL 34 Ca 1.02 0.23 0.03 0.00 -2.93 0.00 0.00 61.98 60.34 1suh s VAL 34 Cb -0.88 -3.45 -0.02 0.00 -1.53 0.00 0.00 36.38 30.50 1suh s VAL 34 CO 0.55 0.54 0.49 -0.36 -3.33 0.00 0.00 175.10 172.98 1suh s PHE 35 N -0.42 3.37 0.47 1.54 0.40 0.36 -4.77 117.98 118.94 1suh s PHE 35 Ca 0.13 0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.58 1suh s PHE 35 Cb -0.12 -1.86 -0.01 0.00 0.51 0.00 0.00 43.02 41.54 1suh s PHE 35 CO 0.02 0.14 0.06 0.71 0.70 0.00 0.00 175.22 176.85 1suh s TYR 36 N -2.21 1.80 -0.28 0.36 2.02 0.32 -0.91 117.35 118.46 1suh s TYR 36 Ca 0.40 -1.13 -0.22 0.00 -0.37 0.00 0.00 57.07 55.75 1suh s TYR 36 Cb -0.09 -1.40 0.08 0.00 -0.40 0.00 0.00 41.96 40.15 1suh s TYR 36 CO 0.33 -0.03 0.75 -1.12 -1.57 0.00 0.00 175.55 173.91 1suh s SER 37 N -3.77 -0.77 0.11 2.29 0.01 -0.52 -4.17 113.70 106.88 1suh s SER 37 Ca 0.12 1.39 0.09 0.00 1.31 0.00 0.00 55.95 58.85 1suh s SER 37 Cb 0.01 1.38 -0.04 0.00 0.21 0.00 0.00 66.02 67.58 1suh s SER 37 CO 0.08 -0.23 -0.22 -0.51 0.41 0.00 0.00 173.24 172.77 1suh s ILE 38 N 0.80 1.81 0.09 1.44 2.07 -1.26 -0.51 121.20 125.63 1suh s ILE 38 Ca -0.03 -1.60 -0.24 0.00 -1.41 0.00 0.00 60.65 57.37 1suh s ILE 38 Cb -0.05 -1.65 0.06 0.00 0.13 0.00 0.00 42.46 40.95 1suh s ILE 38 CO -0.07 -0.05 0.57 0.28 -1.91 0.00 0.00 174.94 173.76 1suh s THR 39 N -1.21 0.02 -1.84 4.00 -1.32 -0.06 -4.91 115.64 110.32 1suh s THR 39 Ca 0.08 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 1suh s THR 39 Cb -0.10 -1.01 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 1suh s THR 39 CO 0.05 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 1suh n GLY 40 N 0.09 0.54 3.63 6.08 0.00 -1.26 -1.17 105.19 113.10 1suh n GLY 40 Ca -0.18 -2.17 -0.48 0.00 0.00 0.00 0.00 46.02 43.20 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 -0.12 1.70 0.00 1.61 10.64 -1.26 -0.56 117.38 129.39 1suh n GLN 41 Ca 0.00 0.61 0.00 0.00 -1.83 0.00 0.00 57.00 55.78 1suh n GLN 41 Cb 0.00 -2.27 0.00 0.00 -0.86 0.00 0.00 30.24 27.11 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 2.61 3.44 0.02 2.61 0.00 -0.49 -4.78 105.19 108.61 1suh n GLY 42 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.76 1.01 0.05 4.61 0.00 0.28 0.21 120.51 124.92 1suh n ALA 43 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1suh n ALA 43 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.32 0.58 -4.91 0.00 5.68 -0.98 -1.56 116.55 114.04 1suh n ASP 44 Ca 0.00 -0.07 -0.31 0.00 -0.50 0.00 0.00 54.79 53.92 1suh n ASP 44 Cb 0.00 1.83 -0.04 0.00 -1.14 0.00 0.00 41.12 41.77 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 -3.31 3.41 0.19 0.11 1.02 -1.02 -4.75 119.74 115.40 1suh s LYS 45 Ca -0.06 -0.46 -0.33 0.00 0.02 0.00 0.00 55.97 55.14 1suh s LYS 45 Cb 0.13 -3.02 -0.13 0.00 -0.52 0.00 0.00 37.83 34.29 1suh s LYS 45 CO 0.81 0.60 1.67 -2.30 -0.92 0.00 0.00 175.35 175.21 1suh n PRO 46 N 0.24 2.56 -2.06 -1.68 -0.01 -1.26 -1.39 135.00 131.40 1suh n PRO 46 Ca -0.05 0.92 -0.42 0.00 -0.01 0.00 0.00 63.50 63.94 1suh n PRO 46 Cb 0.51 -2.74 -0.03 0.00 -0.01 0.00 0.00 33.50 31.23 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 1.09 4.21 -0.25 0.52 0.04 -1.26 -4.43 135.00 134.92 1suh s PRO 47 Ca 0.76 2.14 -0.29 0.00 0.04 0.00 0.00 61.00 63.66 1suh s PRO 47 Cb -0.57 -3.79 0.01 0.00 0.04 0.00 0.00 34.50 30.20 1suh s PRO 47 CO 0.34 -0.75 1.06 0.54 0.04 0.00 0.00 177.00 178.23 1suh s VAL 48 N 3.30 4.63 0.00 -0.36 0.11 -0.98 -1.88 120.40 125.21 1suh s VAL 48 Ca 0.70 1.94 0.00 0.00 -2.93 0.00 0.00 61.98 61.70 1suh s VAL 48 Cb -0.34 -4.33 0.00 0.00 -1.53 0.00 0.00 36.38 30.18 1suh s VAL 48 CO 0.29 -0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 1suh n GLY 49 N 3.47 0.05 0.00 6.54 0.00 -0.60 -4.95 105.19 109.70 1suh n GLY 49 Ca 0.12 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.12 0.00 -4.95 1.61 0.31 0.58 -4.83 118.33 110.93 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 0.00 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 32.77 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 1.98 -0.01 3.52 0.40 -0.12 -0.26 117.98 122.49 1suh s PHE 51 Ca 0.00 -0.67 0.01 0.00 -0.60 0.00 0.00 56.93 55.66 1suh s PHE 51 Cb 0.00 -1.34 0.01 0.00 0.51 0.00 0.00 43.02 42.19 1suh s PHE 51 CO 0.00 -0.26 -0.02 0.96 0.70 0.00 0.00 175.22 176.60 1suh s ILE 52 N 0.21 0.25 0.09 0.64 -4.36 0.56 -4.56 121.20 114.04 1suh s ILE 52 Ca -0.10 -0.07 0.08 0.00 -0.26 0.00 0.00 60.65 60.30 1suh s ILE 52 Cb -0.14 -0.26 -0.04 0.00 1.25 0.00 0.00 42.46 43.27 1suh s ILE 52 CO 0.04 0.11 -0.16 -0.51 0.24 0.00 0.00 174.94 174.66 1suh s ILE 53 N 0.33 2.99 -0.72 8.37 2.07 -1.26 0.14 121.20 133.12 1suh s ILE 53 Ca -0.03 -1.36 -0.25 0.00 -1.41 0.00 0.00 60.65 57.60 1suh s ILE 53 Cb -0.06 -2.35 0.05 0.00 0.13 0.00 0.00 42.46 40.22 1suh s ILE 53 CO -0.01 0.16 1.15 -0.70 -1.91 0.00 0.00 174.94 173.63 1suh s GLU 54 N -2.00 3.18 0.37 3.50 -6.30 -0.25 -4.85 118.70 112.36 1suh s GLU 54 Ca 0.18 -0.56 0.08 0.00 -2.50 0.00 0.00 54.97 52.17 1suh s GLU 54 Cb -0.11 -4.26 0.41 0.00 0.00 0.00 0.00 34.13 30.17 1suh s GLU 54 CO 0.10 -2.00 1.08 -0.09 0.02 0.00 0.00 175.26 174.36 1suh h ARG 55 N 9.80 0.00 0.00 4.30 2.43 -1.91 0.68 114.38 129.69 1suh h ARG 55 Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1suh h ARG 55 Cb 1.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1suh h ARG 55 CO 1.24 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 180.09 1suh n GLU 56 N -1.99 0.00 -0.01 0.20 1.02 -1.26 -0.52 120.64 118.07 1suh n GLU 56 Ca -0.01 0.22 0.12 0.00 -0.02 0.00 0.00 57.16 57.48 1suh n GLU 56 Cb 0.55 -0.72 0.67 0.00 -0.02 0.00 0.00 31.44 31.91 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 -2.26 0.02 -1.79 2.62 -2.24 -1.07 -4.55 114.28 105.03 1suh n THR 57 Ca 0.00 -0.06 -0.21 0.00 -2.27 0.00 0.00 64.05 61.51 1suh n THR 57 Cb 0.00 -0.21 -0.07 0.00 -2.10 0.00 0.00 70.33 67.94 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 0.94 1.41 3.62 3.38 0.00 0.24 -4.68 105.19 110.09 1suh n GLY 58 Ca 0.18 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.83 2.56 -0.30 1.61 0.52 -1.23 -0.11 118.94 119.16 1suh s TRP 59 Ca 0.00 0.78 -0.29 0.00 0.02 0.00 0.00 56.10 56.61 1suh s TRP 59 Cb 0.00 -4.07 0.01 0.00 -1.15 0.00 0.00 33.47 28.27 1suh s TRP 59 CO 0.00 -1.85 1.09 -1.17 0.02 0.00 0.00 176.95 175.05 1suh s LEU 60 N 4.78 3.97 0.29 2.99 0.20 0.10 -1.09 118.68 129.93 1suh s LEU 60 Ca 0.58 1.14 0.11 0.00 0.69 0.00 0.00 54.13 56.66 1suh s LEU 60 Cb -0.16 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.01 1suh s LEU 60 CO 0.27 -0.85 -0.17 -0.54 -0.29 0.00 0.00 176.35 174.76 1suh s LYS 61 N 3.61 1.72 -0.00 1.98 1.02 0.12 -0.15 119.74 128.03 1suh s LYS 61 Ca 0.46 -1.80 0.07 0.00 0.02 0.00 0.00 55.97 54.72 1suh s LYS 61 Cb -0.13 -1.76 -0.02 0.00 -0.52 0.00 0.00 37.83 35.40 1suh s LYS 61 CO 0.14 0.29 -0.23 0.14 -0.92 0.00 0.00 175.35 174.77 1suh s VAL 62 N -2.53 1.85 -0.11 3.17 -7.23 0.71 -0.33 120.40 115.93 1suh s VAL 62 Ca 0.31 -1.06 0.16 0.00 -1.81 0.00 0.00 61.98 59.58 1suh s VAL 62 Cb -0.03 -1.55 -0.13 0.00 0.56 0.00 0.00 36.38 35.23 1suh s VAL 62 CO 0.15 0.47 0.86 0.71 -0.31 0.00 0.00 175.10 176.98 1suh h THR 63 N 4.50 0.56 -3.87 5.32 1.35 -0.94 0.34 112.91 120.17 1suh h THR 63 Ca -0.42 -2.08 -0.23 0.00 -0.55 0.00 0.00 66.41 63.13 1suh h THR 63 Cb 1.13 2.10 -0.25 0.00 -1.73 0.00 0.00 68.15 69.40 1suh h THR 63 CO 0.47 0.32 -0.72 -1.10 -0.25 0.00 0.00 175.52 174.24 1suh s GLN 64 N -2.90 0.24 1.05 4.72 -0.21 -1.19 -4.78 119.66 116.59 1suh s GLN 64 Ca -0.03 -0.33 -0.12 0.00 0.02 0.00 0.00 55.36 54.91 1suh s GLN 64 Cb 0.09 -0.07 0.22 0.00 1.00 0.00 0.00 33.01 34.24 1suh s GLN 64 CO 0.81 0.01 1.07 -1.25 -2.12 0.00 0.00 175.29 173.81 1suh s PRO 65 N -0.69 -0.00 0.54 2.91 0.04 -1.26 -4.94 135.00 131.60 1suh s PRO 65 Ca -0.06 0.83 -0.03 0.00 0.04 0.00 0.00 61.00 61.78 1suh s PRO 65 Cb -0.05 -1.66 0.01 0.00 0.04 0.00 0.00 34.50 32.84 1suh s PRO 65 CO -0.00 -3.11 0.81 -0.51 0.04 0.00 0.00 177.00 174.23 1suh s LEU 66 N -6.79 3.37 -0.24 -3.56 1.43 -1.19 -4.77 118.68 106.93 1suh s LEU 66 Ca 0.67 0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 54.19 1suh s LEU 66 Cb -0.22 -3.31 0.08 0.00 0.03 0.00 0.00 46.19 42.78 1suh s LEU 66 CO 0.61 -0.97 0.12 -0.62 0.23 0.00 0.00 176.35 175.72 1suh s ASP 67 N -4.30 3.04 0.55 2.29 2.15 -1.26 -2.70 116.67 116.46 1suh s ASP 67 Ca 0.52 -1.01 0.24 0.00 0.43 0.00 0.00 52.55 52.73 1suh s ASP 67 Cb -0.10 -0.30 1.49 0.00 -0.30 0.00 0.00 42.92 43.71 1suh s ASP 67 CO 0.42 -0.40 2.12 -0.09 -0.17 0.00 0.00 175.17 177.04 1suh h ARG 68 N 8.41 0.00 0.00 4.34 2.43 -1.96 0.32 114.38 127.92 1suh h ARG 68 Ca -0.18 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1suh h ARG 68 Cb 1.07 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1suh h ARG 68 CO 0.38 0.00 -0.11 0.93 -1.51 0.00 0.00 179.97 179.66 1suh h GLU 69 N 0.00 0.00 0.00 0.20 5.08 -2.03 -3.33 114.58 114.50 1suh h GLU 69 Ca 0.08 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1suh h GLU 69 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1suh h GLU 69 CO -0.00 0.11 -1.08 0.00 -1.00 0.00 0.00 179.01 177.04 1suh n ALA 70 N -2.22 1.52 -3.44 3.43 0.00 0.55 -5.03 120.51 115.33 1suh n ALA 70 Ca -0.01 -0.65 -0.15 0.00 0.00 0.00 0.00 53.44 52.64 1suh n ALA 70 Cb 0.27 0.13 -0.15 0.00 0.00 0.00 0.00 19.45 19.70 1suh n ALA 70 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1suh s ILE 71 N -2.59 0.03 -2.55 0.00 1.01 0.80 -5.02 121.20 112.88 1suh s ILE 71 Ca -0.23 0.11 0.21 0.00 0.00 0.00 0.00 60.65 60.73 1suh s ILE 71 Cb 0.05 -0.11 0.17 0.00 0.01 0.00 0.00 42.46 42.58 1suh s ILE 71 CO 0.32 0.08 1.16 0.00 0.00 0.00 0.00 174.94 176.50 1suh n ALA 72 N 3.79 2.46 -3.64 9.38 0.00 -1.26 -3.74 120.51 127.50 1suh n ALA 72 Ca -0.22 -0.68 -0.08 0.00 0.00 0.00 0.00 53.44 52.45 1suh n ALA 72 Cb 0.53 -0.70 -0.07 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.70 0.72 -0.10 0.00 2.36 -1.26 -0.47 119.74 119.29 1suh s LYS 73 Ca 0.25 1.13 0.04 0.00 -2.55 0.00 0.00 55.97 54.84 1suh s LYS 73 Cb 0.17 0.20 -0.00 0.00 -1.05 0.00 0.00 37.83 37.15 1suh s LYS 73 CO 0.26 -0.13 -0.24 0.71 1.55 0.00 0.00 175.35 177.50 1suh s TYR 74 N 1.30 2.56 -0.47 4.03 1.51 0.32 -4.99 117.35 121.62 1suh s TYR 74 Ca -0.07 -1.05 -0.14 0.00 -1.01 0.00 0.00 57.07 54.80 1suh s TYR 74 Cb -0.05 -1.71 0.08 0.00 -0.11 0.00 0.00 41.96 40.17 1suh s TYR 74 CO -0.15 -0.42 0.37 0.42 -1.11 0.00 0.00 175.55 174.67 1suh s ILE 75 N 0.35 4.95 0.18 2.71 1.01 -1.26 -0.99 121.20 128.15 1suh s ILE 75 Ca -0.19 -1.23 0.04 0.00 0.00 0.00 0.00 60.65 59.28 1suh s ILE 75 Cb -0.18 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 1suh s ILE 75 CO 0.09 -0.60 0.26 -0.76 0.00 0.00 0.00 174.94 173.92 1suh s LEU 76 N 1.57 4.16 0.09 2.97 2.01 0.33 -4.26 118.68 125.56 1suh s LEU 76 Ca 0.04 0.04 0.10 0.00 0.01 0.00 0.00 54.13 54.31 1suh s LEU 76 Cb -0.25 -2.73 -0.03 0.00 0.01 0.00 0.00 46.19 43.19 1suh s LEU 76 CO 0.05 0.02 -0.26 -0.31 1.01 0.00 0.00 176.35 176.86 1suh s TYR 77 N -1.84 2.22 0.05 0.29 1.51 -0.31 0.78 117.35 120.05 1suh s TYR 77 Ca 0.33 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.99 1suh s TYR 77 Cb -0.10 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 1suh s TYR 77 CO 0.27 0.24 -0.03 -1.54 -1.11 0.00 0.00 175.55 173.37 1suh s SER 78 N -1.70 0.52 0.06 2.29 1.04 0.44 -0.88 113.70 115.46 1suh s SER 78 Ca 0.12 -0.96 0.03 0.00 0.48 0.00 0.00 55.95 55.62 1suh s SER 78 Cb -0.10 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 1suh s SER 78 CO 0.04 -0.57 -0.10 -1.00 0.98 0.00 0.00 173.24 172.60 1suh s HIS 79 N -3.70 0.87 0.08 5.02 0.09 0.33 -3.09 115.29 114.90 1suh s HIS 79 Ca 0.05 -0.51 0.10 0.00 -0.00 0.00 0.00 55.06 54.70 1suh s HIS 79 Cb 0.06 -0.51 -0.03 0.00 -0.00 0.00 0.00 32.58 32.10 1suh s HIS 79 CO -0.09 -0.04 -0.26 0.00 -0.00 0.00 0.00 174.74 174.35 1suh s ALA 80 N -1.49 2.28 0.02 -1.40 0.00 -1.26 -1.44 121.76 118.48 1suh s ALA 80 Ca -0.06 -1.35 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 1suh s ALA 80 Cb -0.09 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1suh s ALA 80 CO 0.01 0.53 -0.00 0.08 0.00 0.00 0.00 175.76 176.37 1suh s VAL 81 N -0.92 0.11 -0.07 0.00 1.01 -0.08 0.30 120.40 120.75 1suh s VAL 81 Ca 0.12 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 1suh s VAL 81 Cb -0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 1suh s VAL 81 CO 0.04 -0.50 0.69 -0.94 0.00 0.00 0.00 175.10 174.38 1suh s SER 82 N -1.52 6.97 0.00 3.32 1.04 0.47 0.13 113.70 124.11 1suh s SER 82 Ca -0.15 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.45 1suh s SER 82 Cb -0.09 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.63 1suh s SER 82 CO -0.01 -0.11 0.29 -0.24 0.98 0.00 0.00 173.24 174.15 1suh n SER 83 N 3.78 0.00 0.01 7.02 2.88 0.09 -0.42 113.62 126.98 1suh n SER 83 Ca -0.02 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.55 1suh n SER 83 Cb 0.51 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.87 1suh n SER 83 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1suh n ASN 84 N -0.76 0.52 0.00 -3.46 0.23 -1.26 -4.96 115.26 105.57 1suh n ASN 84 Ca 0.00 0.22 0.00 0.00 -0.53 0.00 0.00 54.58 54.27 1suh n ASN 84 Cb 0.00 0.75 0.00 0.00 -2.08 0.00 0.00 39.78 38.45 1suh n ASN 84 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1suh n GLY 85 N 1.40 1.03 3.46 4.83 0.00 0.44 -5.12 105.19 111.22 1suh n GLY 85 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 3.61 0.06 1.61 2.02 -1.23 -4.96 118.70 119.81 1suh s GLU 86 Ca 0.00 -0.54 -0.31 0.00 0.02 0.00 0.00 54.97 54.14 1suh s GLU 86 Cb 0.00 -2.95 -0.07 0.00 0.10 0.00 0.00 34.13 31.21 1suh s GLU 86 CO 0.00 0.13 1.41 0.00 0.02 0.00 0.00 175.26 176.82 1suh s ALA 87 N 0.65 3.58 -0.11 5.21 0.00 -1.26 -0.40 121.76 129.43 1suh s ALA 87 Ca -0.02 1.01 0.22 0.00 0.00 0.00 0.00 51.96 53.17 1suh s ALA 87 Cb -0.14 -3.57 0.45 0.00 0.00 0.00 0.00 23.12 19.86 1suh s ALA 87 CO 0.02 -0.77 1.17 1.33 0.00 0.00 0.00 175.76 177.51 1suh n VAL 88 N 4.31 0.80 -1.82 0.00 0.24 -0.86 -4.85 118.33 116.14 1suh n VAL 88 Ca 0.12 -1.99 -0.31 0.00 -2.04 0.00 0.00 64.34 60.13 1suh n VAL 88 Cb 0.43 0.73 0.04 0.00 -1.47 0.00 0.00 33.84 33.56 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 -1.59 3.11 -0.09 7.34 -1.05 0.89 -4.33 118.70 122.97 1suh s GLU 89 Ca 0.34 0.64 -0.23 0.00 -0.15 0.00 0.00 54.97 55.57 1suh s GLU 89 Cb 0.37 -2.03 0.05 0.00 -0.44 0.00 0.00 34.13 32.08 1suh s GLU 89 CO -0.11 -0.90 0.55 -0.51 0.95 0.00 0.00 175.26 175.24 1suh s ASP 90 N -4.20 -0.52 -0.70 0.83 1.01 -1.26 -4.76 116.67 107.08 1suh s ASP 90 Ca 0.57 0.68 -0.25 0.00 0.71 0.00 0.00 52.55 54.26 1suh s ASP 90 Cb -0.12 0.67 -0.13 0.00 1.01 0.00 0.00 42.92 44.35 1suh s ASP 90 CO 0.53 -0.44 2.42 -0.81 0.21 0.00 0.00 175.17 177.07 1suh n PRO 91 N 1.56 0.69 -3.92 8.23 -0.04 -1.26 -4.56 135.00 135.70 1suh n PRO 91 Ca -0.18 -0.46 -0.35 0.00 -0.04 0.00 0.00 63.50 62.47 1suh n PRO 91 Cb 0.56 -3.39 -0.14 0.00 -0.04 0.00 0.00 33.50 30.50 1suh n PRO 91 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1suh s MET 92 N 8.60 3.16 -0.37 0.54 -1.94 -1.18 -5.02 119.30 123.09 1suh s MET 92 Ca 0.99 -0.77 -0.11 0.00 -1.71 0.00 0.00 55.69 54.09 1suh s MET 92 Cb -0.23 -3.01 0.03 0.00 2.01 0.00 0.00 34.83 33.63 1suh s MET 92 CO 0.19 -0.29 0.21 -1.21 -0.01 0.00 0.00 175.02 173.91 1suh s GLU 93 N 1.42 2.86 -0.07 2.03 8.01 -1.26 -0.42 118.70 131.27 1suh s GLU 93 Ca 0.04 -1.05 -0.19 0.00 0.01 0.00 0.00 54.97 53.77 1suh s GLU 93 Cb -0.15 -3.73 -0.05 0.00 -4.31 0.00 0.00 34.13 25.89 1suh s GLU 93 CO -0.04 -0.68 0.53 0.42 0.01 0.00 0.00 175.26 175.50 1suh s ILE 94 N 1.56 5.09 -0.32 -1.63 1.01 0.23 -4.93 121.20 122.21 1suh s ILE 94 Ca 0.02 1.09 -0.09 0.00 0.00 0.00 0.00 60.65 61.67 1suh s ILE 94 Cb -0.19 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.42 1suh s ILE 94 CO 0.07 0.36 0.13 -0.69 0.00 0.00 0.00 174.94 174.81 1suh s VAL 95 N 0.32 4.31 -0.36 2.92 1.01 -1.10 -0.51 120.40 126.98 1suh s VAL 95 Ca 0.29 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 1suh s VAL 95 Cb -0.16 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 33.00 1suh s VAL 95 CO 0.13 -0.00 0.15 -0.63 0.00 0.00 0.00 175.10 174.75 1suh s ILE 96 N 1.55 3.99 0.21 2.22 1.01 -0.16 0.27 121.20 130.29 1suh s ILE 96 Ca 0.03 -1.14 -0.08 0.00 0.00 0.00 0.00 60.65 59.46 1suh s ILE 96 Cb -0.18 -3.29 -0.07 0.00 0.01 0.00 0.00 42.46 38.94 1suh s ILE 96 CO 0.05 -0.25 0.51 0.28 0.00 0.00 0.00 174.94 175.53 1suh s THR 97 N 1.43 4.99 0.26 2.92 -1.32 -0.13 -0.52 115.64 123.28 1suh s THR 97 Ca -0.00 0.35 -0.11 0.00 -1.21 0.00 0.00 61.69 60.72 1suh s THR 97 Cb -0.20 -3.62 -0.07 0.00 -1.51 0.00 0.00 72.50 67.09 1suh s THR 97 CO 0.03 -0.05 0.60 -0.69 -2.21 0.00 0.00 174.62 172.31 1suh s VAL 98 N -1.79 4.87 0.04 5.08 1.01 0.38 -0.74 120.40 129.25 1suh s VAL 98 Ca 0.46 0.56 0.03 0.00 0.00 0.00 0.00 61.98 63.02 1suh s VAL 98 Cb -0.11 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1suh s VAL 98 CO 0.22 -0.14 -0.08 -0.89 0.00 0.00 0.00 175.10 174.21 1suh s THR 99 N -1.91 0.60 1.33 3.92 2.01 -1.12 -4.89 115.64 115.59 1suh s THR 99 Ca 0.49 -1.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.27 1suh s THR 99 Cb -0.11 -0.65 0.34 0.00 0.01 0.00 0.00 72.50 72.09 1suh s THR 99 CO 0.21 -0.32 0.91 0.47 -0.69 0.00 0.00 174.62 175.21 1suh n ASP 100 N 1.56 -2.96 0.00 3.53 9.92 -1.26 -3.40 116.55 123.94 1suh n ASP 100 Ca -0.22 -0.51 0.00 0.00 -0.53 0.00 0.00 54.79 53.53 1suh n ASP 100 Cb 0.55 -1.12 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 1suh n ASP 100 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1suh n GLN 101 N -5.28 2.96 -0.10 -1.24 0.00 -1.26 -4.60 117.38 107.86 1suh n GLN 101 Ca 0.07 0.00 0.07 0.00 -0.00 0.00 0.00 57.00 57.14 1suh n GLN 101 Cb 0.57 0.00 0.10 0.00 0.00 0.00 0.00 30.24 30.90 1suh n GLN 101 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1suh n ASN 102 N 0.00 1.99 -4.53 1.69 4.05 -1.26 -5.01 115.26 112.19 1suh n ASN 102 Ca 0.00 -2.72 -0.33 0.00 0.45 0.00 0.00 54.58 51.98 1suh n ASN 102 Cb 0.00 -0.31 -0.09 0.00 1.23 0.00 0.00 39.78 40.61 1suh n ASN 102 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1suh n ASP 103 N -1.08 1.31 -0.28 1.20 2.03 -1.26 -5.32 116.55 113.15 1suh n ASP 103 Ca 0.11 -0.45 0.15 0.00 0.52 0.00 0.00 54.79 55.12 1suh n ASP 103 Cb 0.57 -1.31 0.70 0.00 -0.72 0.00 0.00 41.12 40.36 1suh n ASP 103 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82