#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 2.33 -0.30 2.11 0.52 -1.26 -4.88 118.94 117.47 1suh s TRP 2 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 56.10 55.77 1suh s TRP 2 Cb 0.00 -4.58 0.19 0.00 -1.15 0.00 0.00 33.47 27.93 1suh s TRP 2 CO 0.00 -1.99 0.64 0.14 0.02 0.00 0.00 176.95 175.76 1suh s VAL 3 N 5.93 -0.93 -0.42 4.03 -7.23 -1.26 -3.58 120.40 116.93 1suh s VAL 3 Ca 0.46 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.67 1suh s VAL 3 Cb -0.04 -0.97 0.17 0.00 0.56 0.00 0.00 36.38 36.10 1suh s VAL 3 CO 0.01 0.00 0.48 -0.51 -0.31 0.00 0.00 175.10 174.77 1suh s ILE 4 N 2.86 -0.38 0.11 -0.62 1.10 -1.26 -5.01 121.20 118.00 1suh s ILE 4 Ca 0.16 -1.35 -0.15 0.00 -0.51 0.00 0.00 60.65 58.81 1suh s ILE 4 Cb -0.13 -0.59 -0.05 0.00 0.15 0.00 0.00 42.46 41.84 1suh s ILE 4 CO -0.22 -0.56 1.50 -0.65 -2.11 0.00 0.00 174.94 172.89 1suh h PRO 5 N 6.16 0.69 -6.92 3.50 0.11 -1.92 -3.45 132.00 130.18 1suh h PRO 5 Ca 0.11 -0.29 -0.49 0.00 0.11 0.00 0.00 66.00 65.44 1suh h PRO 5 Cb 1.04 -0.03 0.02 0.00 0.11 0.00 0.00 31.00 32.15 1suh h PRO 5 CO 0.19 0.88 0.44 -1.25 -0.21 0.00 0.00 178.00 178.04 1suh s PRO 6 N -4.69 4.27 0.22 1.05 0.04 -1.26 -1.82 135.00 132.81 1suh s PRO 6 Ca -0.13 1.63 -0.05 0.00 0.04 0.00 0.00 61.00 62.49 1suh s PRO 6 Cb 0.09 -2.73 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 1suh s PRO 6 CO 0.81 -0.07 0.27 0.42 0.04 0.00 0.00 177.00 178.46 1suh s ILE 7 N -1.49 0.00 -0.01 0.56 -1.09 0.04 -4.94 121.20 114.28 1suh s ILE 7 Ca 0.54 -1.77 0.02 0.00 -2.23 0.00 0.00 60.65 57.21 1suh s ILE 7 Cb -0.26 -2.39 -0.01 0.00 -1.58 0.00 0.00 42.46 38.23 1suh s ILE 7 CO 0.33 0.00 -0.08 -0.94 -1.23 0.00 0.00 174.94 173.02 1suh s SER 8 N -3.11 0.90 -0.04 3.58 1.04 -1.26 -0.89 113.70 113.92 1suh s SER 8 Ca 0.33 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1suh s SER 8 Cb 0.04 -0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.08 1suh s SER 8 CO 0.11 0.09 -0.02 0.00 0.98 0.00 0.00 173.24 174.41 1suh s PRO 10 N 1.19 1.32 0.28 0.00 0.04 -1.26 -1.66 135.00 134.91 1suh s PRO 10 Ca -0.07 1.25 0.12 0.00 0.04 0.00 0.00 61.00 62.33 1suh s PRO 10 Cb -0.14 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1suh s PRO 10 CO -0.02 -2.32 -0.19 -1.83 0.04 0.00 0.00 177.00 172.68 1suh s GLU 11 N -4.77 1.70 0.00 4.56 -1.05 -0.98 -3.11 118.70 115.06 1suh s GLU 11 Ca 0.64 -1.77 0.00 0.00 -0.15 0.00 0.00 54.97 53.69 1suh s GLU 11 Cb -0.20 -1.77 0.00 0.00 -0.44 0.00 0.00 34.13 31.71 1suh s GLU 11 CO 0.58 0.32 0.00 0.09 0.95 0.00 0.00 175.26 177.19 1suh n ASN 12 N -0.64 0.00 -4.31 0.83 3.02 -0.89 -4.06 115.26 109.20 1suh n ASN 12 Ca -0.05 0.00 -0.57 0.00 -0.03 0.00 0.00 54.58 53.93 1suh n ASN 12 Cb 0.60 -0.44 -0.11 0.00 -0.61 0.00 0.00 39.78 39.22 1suh n ASN 12 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1suh n GLU 13 N -1.27 0.28 -4.37 3.52 4.07 -1.26 -4.90 120.64 116.71 1suh n GLU 13 Ca 0.00 0.07 -0.19 0.00 -0.06 0.00 0.00 57.16 56.98 1suh n GLU 13 Cb 0.00 -1.76 -0.14 0.00 -0.06 0.00 0.00 31.44 29.48 1suh n GLU 13 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1suh s LYS 14 N 6.22 0.84 0.00 5.31 0.00 -1.26 -4.34 119.74 126.51 1suh s LYS 14 Ca 1.18 -0.55 0.00 0.00 0.00 0.00 0.00 55.97 56.60 1suh s LYS 14 Cb -1.32 -0.80 0.00 0.00 0.00 0.00 0.00 37.83 35.71 1suh s LYS 14 CO 0.61 0.21 0.00 0.41 0.00 0.00 0.00 175.35 176.57 1suh n GLY 15 N 2.35 0.52 3.83 0.59 0.00 -1.26 -5.09 105.19 106.13 1suh n GLY 15 Ca -0.16 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 1suh n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1suh s GLU 16 N 0.00 4.17 0.10 1.61 2.56 -1.26 -5.08 118.70 120.80 1suh s GLU 16 Ca 0.00 0.86 -0.12 0.00 0.00 0.00 0.00 54.97 55.71 1suh s GLU 16 Cb 0.00 -2.57 0.02 0.00 2.00 0.00 0.00 34.13 33.58 1suh s GLU 16 CO 0.00 0.22 0.29 -0.06 -0.56 0.00 0.00 175.26 175.14 1suh s PHE 17 N -1.83 -0.02 0.47 5.30 0.40 -1.26 -4.65 117.98 116.38 1suh s PHE 17 Ca 0.51 -0.35 -0.08 0.00 -0.60 0.00 0.00 56.93 56.41 1suh s PHE 17 Cb -0.13 0.09 0.11 0.00 0.51 0.00 0.00 43.02 43.60 1suh s PHE 17 CO 0.18 -0.61 0.52 -0.35 0.70 0.00 0.00 175.22 175.66 1suh n PRO 18 N -0.12 -1.22 -3.99 0.24 -0.04 -1.26 -5.16 135.00 123.46 1suh n PRO 18 Ca -0.16 -0.81 -0.25 0.00 -0.04 0.00 0.00 63.50 62.24 1suh n PRO 18 Cb 0.63 -0.64 -0.17 0.00 -0.04 0.00 0.00 33.50 33.28 1suh n PRO 18 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1suh s LYS 19 N -4.15 1.23 0.50 0.54 2.20 -0.23 -4.98 119.74 114.85 1suh s LYS 19 Ca 0.31 -0.16 -0.21 0.00 -0.36 0.00 0.00 55.97 55.54 1suh s LYS 19 Cb -0.02 -1.32 -0.07 0.00 -1.51 0.00 0.00 37.83 34.92 1suh s LYS 19 CO 0.23 -0.22 1.15 -0.80 -0.36 0.00 0.00 175.35 175.35 1suh s ASN 20 N 1.55 5.95 0.00 1.43 0.01 -1.26 -0.67 114.94 121.95 1suh s ASN 20 Ca 0.01 2.25 0.00 0.00 -0.71 0.00 0.00 52.86 54.41 1suh s ASN 20 Cb -0.13 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.94 1suh s ASN 20 CO -0.05 -1.06 0.00 0.18 -1.51 0.00 0.00 177.10 174.66 1suh n LEU 21 N -0.87 0.00 -3.48 0.60 4.77 0.46 -4.85 117.00 113.63 1suh n LEU 21 Ca 0.09 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 1suh n LEU 21 Cb 0.49 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1suh n LEU 21 CO 0.45 -0.44 0.46 0.54 -1.33 0.00 0.00 177.39 177.07 1suh s VAL 22 N -0.89 0.00 0.62 4.08 0.11 -1.04 -5.00 120.40 118.29 1suh s VAL 22 Ca 0.00 -0.10 -0.15 0.00 -2.93 0.00 0.00 61.98 58.81 1suh s VAL 22 Cb 0.00 -1.10 -0.02 0.00 -1.53 0.00 0.00 36.38 33.72 1suh s VAL 22 CO 0.00 0.00 1.06 -1.58 -3.33 0.00 0.00 175.10 171.25 1suh s GLN 23 N -3.65 3.18 0.33 1.54 -0.44 -1.26 -0.44 119.66 118.92 1suh s GLN 23 Ca 0.03 1.18 0.08 0.00 -2.50 0.00 0.00 55.36 54.15 1suh s GLN 23 Cb -0.01 -2.01 -0.04 0.00 -1.64 0.00 0.00 33.01 29.30 1suh s GLN 23 CO -0.10 -0.92 0.18 0.42 0.50 0.00 0.00 175.29 175.36 1suh s ILE 24 N -2.55 3.21 -0.01 -2.34 -1.09 0.15 -4.80 121.20 113.77 1suh s ILE 24 Ca 0.63 -1.60 -0.00 0.00 -2.23 0.00 0.00 60.65 57.44 1suh s ILE 24 Cb -0.16 -3.04 0.01 0.00 -1.58 0.00 0.00 42.46 37.69 1suh s ILE 24 CO 0.41 -0.19 0.02 -0.54 -1.23 0.00 0.00 174.94 173.41 1suh s LYS 25 N -3.88 0.01 0.00 2.79 3.01 -1.26 -4.86 119.74 115.54 1suh s LYS 25 Ca 0.38 0.08 0.00 0.00 -1.01 0.00 0.00 55.97 55.42 1suh s LYS 25 Cb -0.04 -0.07 0.00 0.00 -1.01 0.00 0.00 37.83 36.72 1suh s LYS 25 CO 0.24 -0.05 0.00 0.45 0.51 0.00 0.00 175.35 176.49 1suh n SER 26 N 3.41 0.00 0.00 2.83 2.88 -1.26 -4.22 113.62 117.26 1suh n SER 26 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1suh n SER 26 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.00 0.00 -3.46 4.05 -1.24 -4.24 115.26 110.37 1suh n ASN 27 Ca 0.00 0.26 0.02 0.00 0.45 0.00 0.00 54.58 55.30 1suh n ASN 27 Cb 0.00 0.26 0.09 0.00 1.23 0.00 0.00 39.78 41.36 1suh n ASN 27 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1suh n ARG 28 N -2.51 0.08 0.00 1.20 3.00 -1.26 -2.76 116.66 114.40 1suh n ARG 28 Ca 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 57.85 57.96 1suh n ARG 28 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 30.96 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 -1.14 0.03 0.02 0.55 5.75 -1.26 -1.45 116.55 119.04 1suh n ASP 29 Ca 0.02 -0.35 0.11 0.00 -0.01 0.00 0.00 54.79 54.56 1suh n ASP 29 Cb 0.02 -0.01 0.08 0.00 -1.03 0.00 0.00 41.12 40.18 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 -0.37 0.16 -0.04 0.11 5.02 -1.11 -4.40 118.16 117.53 1suh n LYS 30 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.24 1suh n LYS 30 Cb 0.01 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 33.41 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 -1.77 0.62 -3.69 1.97 0.28 -0.53 -5.05 120.64 112.48 1suh n GLU 31 Ca 0.03 0.04 -0.13 0.00 -0.16 0.00 0.00 57.16 56.95 1suh n GLU 31 Cb 0.39 -1.18 -0.09 0.00 1.43 0.00 0.00 31.44 31.99 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 -2.18 -0.00 -0.26 3.84 -1.32 -1.23 -5.10 115.64 109.39 1suh s THR 32 Ca -0.11 0.01 -0.40 0.00 -1.21 0.00 0.00 61.69 59.98 1suh s THR 32 Cb 0.03 -0.76 -0.15 0.00 -1.51 0.00 0.00 72.50 70.11 1suh s THR 32 CO 0.22 0.00 1.74 1.17 -2.21 0.00 0.00 174.62 175.55 1suh n LYS 33 N 2.98 1.20 -4.27 7.08 4.81 -1.26 -4.39 118.16 124.31 1suh n LYS 33 Ca -0.15 0.44 -0.32 0.00 -0.87 0.00 0.00 58.31 57.41 1suh n LYS 33 Cb 0.56 -2.13 -0.09 0.00 0.02 0.00 0.00 35.03 33.40 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 3.49 4.12 0.26 3.15 0.11 -1.26 -1.18 120.40 129.08 1suh s VAL 34 Ca 0.98 -0.66 0.05 0.00 -2.93 0.00 0.00 61.98 59.41 1suh s VAL 34 Cb -1.05 -2.85 -0.03 0.00 -1.53 0.00 0.00 36.38 30.91 1suh s VAL 34 CO 0.65 0.34 0.39 -0.36 -3.33 0.00 0.00 175.10 172.78 1suh s PHE 35 N -1.12 3.44 0.43 1.54 0.40 0.13 -4.85 117.98 117.95 1suh s PHE 35 Ca 0.20 0.01 0.07 0.00 -0.60 0.00 0.00 56.93 56.62 1suh s PHE 35 Cb -0.12 -1.63 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 1suh s PHE 35 CO 0.11 0.38 0.32 0.71 0.70 0.00 0.00 175.22 177.44 1suh s TYR 36 N -2.03 2.55 -0.30 0.36 2.02 -0.02 -1.18 117.35 118.76 1suh s TYR 36 Ca 0.35 -0.56 -0.02 0.00 -0.37 0.00 0.00 57.07 56.47 1suh s TYR 36 Cb -0.09 -2.08 0.19 0.00 -0.40 0.00 0.00 41.96 39.58 1suh s TYR 36 CO 0.30 -0.06 0.64 0.45 -1.57 0.00 0.00 175.55 175.30 1suh s SER 37 N -4.08 -1.30 0.01 2.29 0.15 -0.66 -4.30 113.70 105.81 1suh s SER 37 Ca 0.44 0.86 -0.04 0.00 0.70 0.00 0.00 55.95 57.91 1suh s SER 37 Cb -0.01 2.11 -0.04 0.00 -1.71 0.00 0.00 66.02 66.37 1suh s SER 37 CO 0.25 -0.24 0.23 -0.51 1.20 0.00 0.00 173.24 174.17 1suh s ILE 38 N 2.87 5.36 -0.01 6.45 2.07 -1.26 -0.21 121.20 136.47 1suh s ILE 38 Ca 0.18 -0.01 -0.29 0.00 -1.41 0.00 0.00 60.65 59.13 1suh s ILE 38 Cb -0.14 -3.56 0.08 0.00 0.13 0.00 0.00 42.46 38.97 1suh s ILE 38 CO -0.20 0.32 0.70 0.28 -1.91 0.00 0.00 174.94 174.14 1suh s THR 39 N -1.33 0.00 -3.14 4.00 -1.32 0.69 -4.89 115.64 109.64 1suh s THR 39 Ca 0.28 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.76 1suh s THR 39 Cb -0.13 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 1suh s THR 39 CO 0.18 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.20 1suh n GLY 40 N 0.51 0.76 3.55 6.08 0.00 -1.26 -0.67 105.19 114.16 1suh n GLY 40 Ca -0.17 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.42 1suh n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1suh n GLN 41 N 0.00 1.13 0.00 1.61 7.27 -1.25 -0.38 117.38 125.76 1suh n GLN 41 Ca 0.00 0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.18 1suh n GLN 41 Cb 0.00 -3.19 0.00 0.00 2.41 0.00 0.00 30.24 29.46 1suh n GLN 41 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1suh n GLY 42 N 6.04 1.20 1.48 1.69 0.00 -0.64 -4.51 105.19 110.46 1suh n GLY 42 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 3.00 -0.01 4.61 0.00 0.49 0.20 120.51 128.80 1suh n ALA 43 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1suh n ALA 43 Cb 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 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 -3.47 3.18 -4.86 0.00 5.68 -0.60 -1.39 116.55 115.08 1suh n ASP 44 Ca 0.00 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 53.98 1suh n ASP 44 Cb 0.01 1.14 -0.05 0.00 -1.14 0.00 0.00 41.12 41.08 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 -2.43 3.25 0.13 0.11 1.02 -0.37 -4.74 119.74 116.70 1suh s LYS 45 Ca -0.03 -0.49 -0.34 0.00 0.02 0.00 0.00 55.97 55.13 1suh s LYS 45 Cb 0.04 -2.95 -0.13 0.00 -0.52 0.00 0.00 37.83 34.27 1suh s LYS 45 CO 0.32 0.61 1.65 -2.30 -0.92 0.00 0.00 175.35 174.71 1suh n PRO 46 N 0.54 2.25 -2.10 -1.68 -0.01 -1.26 -1.61 135.00 131.13 1suh n PRO 46 Ca -0.08 0.81 -0.42 0.00 -0.01 0.00 0.00 63.50 63.81 1suh n PRO 46 Cb 0.52 -2.61 -0.03 0.00 -0.01 0.00 0.00 33.50 31.37 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 1.49 4.24 0.01 0.52 0.04 -1.26 -4.58 135.00 135.46 1suh s PRO 47 Ca 0.81 2.12 -0.30 0.00 0.04 0.00 0.00 61.00 63.66 1suh s PRO 47 Cb -0.65 -3.64 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 1suh s PRO 47 CO 0.39 -0.67 1.04 0.54 0.04 0.00 0.00 177.00 178.34 1suh s VAL 48 N 2.72 4.66 -0.03 -0.36 0.11 -1.01 -2.65 120.40 123.83 1suh s VAL 48 Ca 0.68 1.91 -0.01 0.00 -2.93 0.00 0.00 61.98 61.64 1suh s VAL 48 Cb -0.34 -4.22 0.00 0.00 -1.53 0.00 0.00 36.38 30.28 1suh s VAL 48 CO 0.29 0.14 0.02 0.61 -3.33 0.00 0.00 175.10 172.83 1suh n GLY 49 N 2.99 -2.07 0.00 6.54 0.00 -0.49 -4.90 105.19 107.26 1suh n GLY 49 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.15 0.00 -4.36 1.61 0.31 0.53 -4.88 118.33 111.38 1suh n VAL 50 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 1suh n VAL 50 Cb 0.02 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.82 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 2.16 0.03 3.52 0.08 0.29 -0.08 117.98 122.98 1suh s PHE 51 Ca 0.00 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.67 1suh s PHE 51 Cb 0.00 -1.16 -0.02 0.00 -0.57 0.00 0.00 43.02 41.27 1suh s PHE 51 CO 0.00 0.32 -0.06 0.96 -0.10 0.00 0.00 175.22 176.34 1suh s ILE 52 N -1.18 0.37 -0.00 0.64 -4.36 0.41 -4.74 121.20 112.34 1suh s ILE 52 Ca 0.13 -1.03 -0.01 0.00 -0.26 0.00 0.00 60.65 59.47 1suh s ILE 52 Cb -0.10 -0.50 -0.00 0.00 1.25 0.00 0.00 42.46 43.11 1suh s ILE 52 CO 0.06 -0.44 0.02 -0.51 0.24 0.00 0.00 174.94 174.31 1suh s ILE 53 N -1.47 0.03 -0.69 8.37 2.07 -1.26 -0.32 121.20 127.94 1suh s ILE 53 Ca -0.12 -0.23 -0.27 0.00 -1.41 0.00 0.00 60.65 58.62 1suh s ILE 53 Cb -0.10 -0.11 0.03 0.00 0.13 0.00 0.00 42.46 42.42 1suh s ILE 53 CO -0.00 -0.13 1.26 -0.70 -1.91 0.00 0.00 174.94 173.46 1suh s GLU 54 N -0.37 3.29 0.63 3.50 -6.30 -0.47 -4.84 118.70 114.14 1suh s GLU 54 Ca -0.04 -0.08 0.21 0.00 -2.50 0.00 0.00 54.97 52.56 1suh s GLU 54 Cb -0.03 -4.13 1.00 0.00 0.00 0.00 0.00 34.13 30.97 1suh s GLU 54 CO -0.00 -2.01 1.53 0.07 0.02 0.00 0.00 175.26 174.87 1suh h ARG 55 N 9.92 0.00 0.00 4.30 0.11 -1.91 1.15 114.38 127.94 1suh h ARG 55 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 1suh h ARG 55 Cb 1.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.13 1suh h ARG 55 CO 1.25 0.00 -0.25 0.39 0.10 0.00 0.00 179.97 181.46 1suh n GLU 56 N -3.05 0.17 0.00 0.08 1.02 -1.26 -0.84 120.64 116.76 1suh n GLU 56 Ca 0.07 0.22 0.02 0.00 -0.02 0.00 0.00 57.16 57.45 1suh n GLU 56 Cb 0.87 -0.95 0.13 0.00 -0.02 0.00 0.00 31.44 31.47 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 -3.11 0.00 -1.99 2.62 -2.24 -1.09 -4.84 114.28 103.63 1suh n THR 57 Ca -0.04 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.69 1suh n THR 57 Cb 0.13 -0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.26 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 0.53 -0.11 3.63 3.38 0.00 0.39 -4.58 105.19 108.43 1suh n GLY 58 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 2.63 -0.29 1.61 0.52 -1.24 0.30 118.94 120.47 1suh s TRP 59 Ca 0.00 0.84 -0.23 0.00 0.02 0.00 0.00 56.10 56.73 1suh s TRP 59 Cb 0.00 -3.91 -0.00 0.00 -1.15 0.00 0.00 33.47 28.40 1suh s TRP 59 CO 0.00 -1.82 0.77 -1.17 0.02 0.00 0.00 176.95 174.74 1suh s LEU 60 N 4.45 4.09 0.14 2.99 0.20 0.42 -1.37 118.68 129.59 1suh s LEU 60 Ca 0.58 0.71 0.10 0.00 0.69 0.00 0.00 54.13 56.20 1suh s LEU 60 Cb -0.17 -3.05 -0.04 0.00 -0.43 0.00 0.00 46.19 42.49 1suh s LEU 60 CO 0.24 -0.56 -0.23 -1.59 -0.29 0.00 0.00 176.35 173.91 1suh s LYS 61 N 2.87 1.30 0.09 1.98 -2.85 0.57 -0.40 119.74 123.30 1suh s LYS 61 Ca 0.32 -1.33 0.06 0.00 -1.00 0.00 0.00 55.97 54.02 1suh s LYS 61 Cb -0.14 -1.61 -0.04 0.00 -2.06 0.00 0.00 37.83 33.98 1suh s LYS 61 CO 0.11 0.36 -0.08 0.54 0.10 0.00 0.00 175.35 176.38 1suh s VAL 62 N -1.39 3.48 -0.15 1.79 0.11 0.16 -0.44 120.40 123.96 1suh s VAL 62 Ca 0.13 -1.17 0.14 0.00 -2.93 0.00 0.00 61.98 58.15 1suh s VAL 62 Cb -0.09 -2.62 -0.20 0.00 -1.53 0.00 0.00 36.38 31.94 1suh s VAL 62 CO 0.06 0.15 0.08 0.35 -3.33 0.00 0.00 175.10 172.41 1suh n THR 63 N 0.79 1.00 -4.70 5.04 -2.24 0.88 -1.07 114.28 113.99 1suh n THR 63 Ca -0.13 -0.65 -0.25 0.00 -2.27 0.00 0.00 64.05 60.74 1suh n THR 63 Cb 0.52 -0.51 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 1suh n THR 63 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1suh s GLN 64 N -2.46 1.40 0.95 -0.78 -0.21 -1.16 -4.90 119.66 112.51 1suh s GLN 64 Ca -0.08 -0.87 -0.12 0.00 0.02 0.00 0.00 55.36 54.32 1suh s GLN 64 Cb 0.05 -1.47 0.16 0.00 1.00 0.00 0.00 33.01 32.76 1suh s GLN 64 CO 0.66 0.38 1.09 -1.25 -2.12 0.00 0.00 175.29 174.05 1suh s PRO 65 N -1.00 0.79 0.13 2.91 0.04 -1.26 -5.00 135.00 131.62 1suh s PRO 65 Ca 0.07 0.91 0.05 0.00 0.04 0.00 0.00 61.00 62.07 1suh s PRO 65 Cb -0.08 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 1suh s PRO 65 CO 0.01 -2.58 0.07 -0.51 0.04 0.00 0.00 177.00 174.03 1suh s LEU 66 N -6.46 3.65 -0.54 -3.56 1.43 -1.18 -4.86 118.68 107.16 1suh s LEU 66 Ca 0.65 -0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.54 1suh s LEU 66 Cb -0.20 -2.31 0.14 0.00 0.03 0.00 0.00 46.19 43.86 1suh s LEU 66 CO 0.58 0.12 0.38 -0.62 0.23 0.00 0.00 176.35 177.04 1suh s ASP 67 N -2.77 5.46 0.48 2.29 2.15 -1.26 -2.09 116.67 120.93 1suh s ASP 67 Ca 0.29 -2.40 0.33 0.00 0.43 0.00 0.00 52.55 51.19 1suh s ASP 67 Cb -0.11 -1.91 1.69 0.00 -0.30 0.00 0.00 42.92 42.29 1suh s ASP 67 CO 0.21 -0.51 2.00 -0.09 -0.17 0.00 0.00 175.17 176.61 1suh h ARG 68 N 7.69 0.00 0.00 4.34 2.43 -1.97 0.21 114.38 127.07 1suh h ARG 68 Ca -0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1suh h ARG 68 Cb 1.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1suh h ARG 68 CO 0.74 0.00 0.00 0.93 -1.51 0.00 0.00 179.97 180.13 1suh h GLU 69 N 0.00 0.00 0.00 0.20 4.39 -2.04 -3.38 114.58 113.75 1suh h GLU 69 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1suh h GLU 69 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1suh h GLU 69 CO 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 179.01 177.29 1suh n ALA 70 N -1.81 3.00 -2.48 3.43 0.00 -0.06 -5.07 120.51 117.52 1suh n ALA 70 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.22 1suh n ALA 70 Cb 0.34 0.37 -0.15 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.00 1.57 0.00 0.00 1.01 0.53 -5.02 121.20 117.28 1suh s ILE 71 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1suh s ILE 71 Cb 0.00 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.12 1suh s ILE 71 CO 0.00 0.28 0.85 0.00 0.00 0.00 0.00 174.94 176.07 1suh n ALA 72 N 2.14 1.95 -3.57 9.38 0.00 -1.26 -3.37 120.51 125.78 1suh n ALA 72 Ca -0.16 -0.85 -0.00 0.00 0.00 0.00 0.00 53.44 52.42 1suh n ALA 72 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.73 0.57 0.06 0.00 2.20 -1.26 -0.66 119.74 119.92 1suh s LYS 73 Ca 0.00 1.37 0.01 0.00 -0.36 0.00 0.00 55.97 56.98 1suh s LYS 73 Cb 0.00 0.82 -0.04 0.00 -1.51 0.00 0.00 37.83 37.10 1suh s LYS 73 CO 0.00 -0.25 0.16 0.71 -0.36 0.00 0.00 175.35 175.61 1suh s TYR 74 N 2.88 3.41 -0.02 4.03 1.51 0.18 -4.95 117.35 124.40 1suh s TYR 74 Ca -0.02 0.21 0.07 0.00 -1.01 0.00 0.00 57.07 56.32 1suh s TYR 74 Cb -0.12 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 1suh s TYR 74 CO -0.19 0.57 -0.24 0.42 -1.11 0.00 0.00 175.55 175.00 1suh s ILE 75 N -1.44 1.92 0.20 2.71 1.01 -1.26 -0.25 121.20 124.09 1suh s ILE 75 Ca 0.32 -1.04 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 1suh s ILE 75 Cb -0.13 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 1suh s ILE 75 CO 0.25 0.54 0.14 -0.76 0.00 0.00 0.00 174.94 175.11 1suh s LEU 76 N -0.53 1.16 -0.04 2.97 1.43 -0.05 -3.77 118.68 119.84 1suh s LEU 76 Ca 0.08 -1.40 0.02 0.00 -1.03 0.00 0.00 54.13 51.81 1suh s LEU 76 Cb -0.10 0.40 0.01 0.00 0.03 0.00 0.00 46.19 46.53 1suh s LEU 76 CO -0.01 -0.85 -0.10 -0.31 0.23 0.00 0.00 176.35 175.32 1suh s TYR 77 N -4.14 1.12 0.27 0.29 1.51 0.16 0.69 117.35 117.24 1suh s TYR 77 Ca 0.39 -0.34 0.11 0.00 -1.01 0.00 0.00 57.07 56.22 1suh s TYR 77 Cb 0.07 -0.83 -0.05 0.00 -0.11 0.00 0.00 41.96 41.04 1suh s TYR 77 CO 0.12 -0.17 -0.11 -1.54 -1.11 0.00 0.00 175.55 172.74 1suh s SER 78 N 0.45 4.03 0.07 2.29 1.04 0.59 -0.23 113.70 121.94 1suh s SER 78 Ca -0.08 -0.84 0.06 0.00 0.48 0.00 0.00 55.95 55.57 1suh s SER 78 Cb -0.12 -0.55 -0.03 0.00 0.10 0.00 0.00 66.02 65.42 1suh s SER 78 CO 0.02 0.03 -0.16 -1.00 0.98 0.00 0.00 173.24 173.10 1suh s HIS 79 N -2.37 1.39 -0.01 5.02 3.76 0.70 -3.18 115.29 120.60 1suh s HIS 79 Ca 0.30 -0.43 0.08 0.00 -0.15 0.00 0.00 55.06 54.86 1suh s HIS 79 Cb -0.06 -0.78 -0.02 0.00 1.11 0.00 0.00 32.58 32.83 1suh s HIS 79 CO 0.17 0.09 -0.26 0.00 -0.85 0.00 0.00 174.74 173.89 1suh s ALA 80 N -1.17 2.18 -0.01 -1.40 0.00 -1.26 -1.65 121.76 118.45 1suh s ALA 80 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1suh s ALA 80 Cb -0.10 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.50 1suh s ALA 80 CO 0.03 0.53 -0.00 0.14 0.00 0.00 0.00 175.76 176.45 1suh s VAL 81 N -0.65 0.11 0.05 0.00 -7.23 -0.33 0.29 120.40 112.65 1suh s VAL 81 Ca 0.10 0.02 -0.30 0.00 -1.81 0.00 0.00 61.98 59.99 1suh s VAL 81 Cb -0.10 -0.16 -0.08 0.00 0.56 0.00 0.00 36.38 36.61 1suh s VAL 81 CO -0.00 0.08 1.67 -0.94 -0.31 0.00 0.00 175.10 175.59 1suh s SER 82 N 0.43 6.60 0.00 4.85 1.04 0.49 0.19 113.70 127.30 1suh s SER 82 Ca -0.04 2.46 0.00 0.00 0.48 0.00 0.00 55.95 58.85 1suh s SER 82 Cb -0.06 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1suh s SER 82 CO -0.01 -0.90 0.44 -0.24 0.98 0.00 0.00 173.24 173.50 1suh n SER 83 N 5.95 0.00 0.05 7.02 2.88 -0.33 -0.03 113.62 129.17 1suh n SER 83 Ca 0.16 0.08 -0.17 0.00 -1.33 0.00 0.00 58.87 57.61 1suh n SER 83 Cb 0.41 -0.08 -0.14 0.00 -0.75 0.00 0.00 64.21 63.64 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 0.38 0.00 -3.46 -0.00 -1.86 -3.48 115.58 107.16 1suh h ASN 84 Ca 0.00 -0.58 0.00 0.00 -0.00 0.00 0.00 56.30 55.72 1suh h ASN 84 Cb 0.12 -0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1suh h ASN 84 CO 0.00 1.49 0.00 0.61 -0.00 0.00 0.00 177.43 179.53 1suh n GLY 85 N 1.72 -0.48 3.53 9.14 0.00 0.96 -5.14 105.19 114.92 1suh n GLY 85 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 3.27 0.02 1.61 2.02 -1.22 -4.96 118.70 119.44 1suh s GLU 86 Ca 0.00 -0.54 -0.30 0.00 0.02 0.00 0.00 54.97 54.15 1suh s GLU 86 Cb 0.00 -2.77 -0.06 0.00 0.10 0.00 0.00 34.13 31.40 1suh s GLU 86 CO 0.00 0.42 1.38 0.00 0.02 0.00 0.00 175.26 177.08 1suh s ALA 87 N -0.14 3.57 -0.06 5.21 0.00 -1.26 -0.38 121.76 128.69 1suh s ALA 87 Ca 0.02 0.92 0.25 0.00 0.00 0.00 0.00 51.96 53.15 1suh s ALA 87 Cb -0.13 -3.57 0.45 0.00 0.00 0.00 0.00 23.12 19.86 1suh s ALA 87 CO 0.03 -0.83 1.16 1.33 0.00 0.00 0.00 175.76 177.45 1suh n VAL 88 N 4.49 0.34 -1.80 0.00 0.24 -0.84 -4.84 118.33 115.92 1suh n VAL 88 Ca 0.13 -1.49 -0.30 0.00 -2.04 0.00 0.00 64.34 60.63 1suh n VAL 88 Cb 0.44 1.04 0.07 0.00 -1.47 0.00 0.00 33.84 33.91 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 -0.94 2.44 -0.17 7.34 1.03 0.85 -4.44 118.70 124.81 1suh s GLU 89 Ca 0.33 0.42 -0.14 0.00 0.03 0.00 0.00 54.97 55.60 1suh s GLU 89 Cb 0.37 -1.98 0.05 0.00 -0.80 0.00 0.00 34.13 31.77 1suh s GLU 89 CO -0.14 -1.32 0.44 -0.51 -1.33 0.00 0.00 175.26 172.40 1suh s ASP 90 N -4.30 -0.48 -0.82 0.83 1.01 -1.26 -4.75 116.67 106.89 1suh s ASP 90 Ca 0.60 0.90 -0.20 0.00 0.71 0.00 0.00 52.55 54.55 1suh s ASP 90 Cb -0.12 0.89 -0.19 0.00 1.01 0.00 0.00 42.92 44.51 1suh s ASP 90 CO 0.52 -0.16 2.16 -2.65 0.21 0.00 0.00 175.17 175.24 1suh n PRO 91 N 3.10 0.28 -3.73 8.23 -0.01 -1.26 -4.62 135.00 136.99 1suh n PRO 91 Ca -0.15 -0.82 -0.37 0.00 -0.01 0.00 0.00 63.50 62.15 1suh n PRO 91 Cb 0.57 -2.99 -0.12 0.00 -0.01 0.00 0.00 33.50 30.95 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 8.09 3.48 -0.30 -0.52 -1.94 -1.19 -5.00 119.30 121.92 1suh s MET 92 Ca 0.89 -0.60 -0.18 0.00 -1.71 0.00 0.00 55.69 54.08 1suh s MET 92 Cb -0.23 -3.38 -0.02 0.00 2.01 0.00 0.00 34.83 33.21 1suh s MET 92 CO 0.19 -0.29 0.53 -1.83 -0.01 0.00 0.00 175.02 173.62 1suh s GLU 93 N 1.59 3.89 -0.13 2.03 1.03 -1.26 -0.30 118.70 125.55 1suh s GLU 93 Ca 0.05 0.15 -0.20 0.00 0.03 0.00 0.00 54.97 55.00 1suh s GLU 93 Cb -0.16 -3.72 -0.04 0.00 -0.80 0.00 0.00 34.13 29.42 1suh s GLU 93 CO 0.04 -0.49 0.58 0.42 -1.33 0.00 0.00 175.26 174.49 1suh s ILE 94 N 2.39 5.10 -0.35 1.83 1.01 0.22 -4.91 121.20 126.49 1suh s ILE 94 Ca 0.21 1.16 -0.11 0.00 0.00 0.00 0.00 60.65 61.90 1suh s ILE 94 Cb -0.15 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1suh s ILE 94 CO 0.11 0.24 0.20 -0.69 0.00 0.00 0.00 174.94 174.80 1suh s VAL 95 N 1.06 4.82 -0.26 2.92 1.01 -0.76 -0.87 120.40 128.32 1suh s VAL 95 Ca 0.30 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 1suh s VAL 95 Cb -0.16 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1suh s VAL 95 CO 0.13 -0.07 0.12 -0.63 0.00 0.00 0.00 175.10 174.65 1suh s ILE 96 N 1.63 4.74 0.14 2.22 1.01 0.65 -0.78 121.20 130.82 1suh s ILE 96 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.63 1suh s ILE 96 Cb -0.18 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 1suh s ILE 96 CO 0.08 0.30 0.36 0.28 0.00 0.00 0.00 174.94 175.96 1suh s THR 97 N 1.68 5.19 0.26 2.92 -1.32 -0.07 0.50 115.64 124.80 1suh s THR 97 Ca 0.07 -0.06 -0.12 0.00 -1.21 0.00 0.00 61.69 60.37 1suh s THR 97 Cb -0.15 -3.64 -0.08 0.00 -1.51 0.00 0.00 72.50 67.12 1suh s THR 97 CO 0.07 0.02 0.62 -0.69 -2.21 0.00 0.00 174.62 172.43 1suh s VAL 98 N -1.67 4.83 -0.01 5.08 1.01 0.17 -1.05 120.40 128.75 1suh s VAL 98 Ca 0.40 0.68 -0.10 0.00 0.00 0.00 0.00 61.98 62.96 1suh s VAL 98 Cb -0.12 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1suh s VAL 98 CO 0.26 -0.09 0.21 -0.89 0.00 0.00 0.00 175.10 174.59 1suh s THR 99 N -1.85 0.07 0.60 3.92 2.01 -0.66 -4.85 115.64 114.87 1suh s THR 99 Ca 0.49 -0.55 -0.18 0.00 0.31 0.00 0.00 61.69 61.77 1suh s THR 99 Cb -0.11 -0.49 -0.06 0.00 0.01 0.00 0.00 72.50 71.85 1suh s THR 99 CO 0.20 -0.30 0.80 -0.90 -0.69 0.00 0.00 174.62 173.73 1suh n ASP 100 N 1.52 0.07 0.00 3.53 5.68 -1.26 -2.32 116.55 123.77 1suh n ASP 100 Ca -0.21 0.77 0.00 0.00 -0.50 0.00 0.00 54.79 54.84 1suh n ASP 100 Cb 0.56 -1.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.23 1suh n ASP 100 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1suh n GLN 101 N -0.72 0.00 -2.67 0.11 10.64 -1.26 -4.56 117.38 118.92 1suh n GLN 101 Ca 0.13 0.00 -0.05 0.00 -1.83 0.00 0.00 57.00 55.26 1suh n GLN 101 Cb 0.48 -0.28 0.05 0.00 -0.86 0.00 0.00 30.24 29.63 1suh n GLN 101 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1suh n ASN 102 N 0.00 -1.41 -4.45 2.61 0.23 -1.26 -4.90 115.26 106.08 1suh n ASN 102 Ca 0.00 -2.04 -0.44 0.00 -0.53 0.00 0.00 54.58 51.57 1suh n ASN 102 Cb 0.00 1.14 -0.06 0.00 -2.08 0.00 0.00 39.78 38.78 1suh n ASN 102 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1suh s ASP 103 N -0.46 6.23 0.00 0.53 -1.08 -1.26 -5.27 116.67 115.36 1suh s ASP 103 Ca 0.13 -0.86 0.00 0.00 -0.52 0.00 0.00 52.55 51.30 1suh s ASP 103 Cb 0.21 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 39.37 1suh s ASP 103 CO -0.08 -0.90 0.00 -3.20 0.52 0.00 0.00 175.17 171.51