#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 2.34 -0.44 1.24 0.52 -1.26 -4.89 118.94 116.45 1suh s TRP 2 Ca 0.00 0.04 0.06 0.00 0.02 0.00 0.00 56.10 56.21 1suh s TRP 2 Cb 0.00 -4.61 0.18 0.00 -1.15 0.00 0.00 33.47 27.89 1suh s TRP 2 CO 0.00 -1.99 0.56 0.08 0.02 0.00 0.00 176.95 175.63 1suh s VAL 3 N 5.59 -0.67 -0.40 4.03 1.01 -1.26 -4.06 120.40 124.64 1suh s VAL 3 Ca 0.36 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1suh s VAL 3 Cb -0.08 -0.32 0.18 0.00 0.00 0.00 0.00 36.38 36.17 1suh s VAL 3 CO 0.17 -0.30 0.74 -0.51 0.00 0.00 0.00 175.10 175.21 1suh s ILE 4 N 1.21 -0.80 0.21 2.22 2.07 -1.26 -5.04 121.20 119.81 1suh s ILE 4 Ca 0.23 -0.10 -0.10 0.00 -1.41 0.00 0.00 60.65 59.27 1suh s ILE 4 Cb -0.05 0.00 0.16 0.00 0.13 0.00 0.00 42.46 42.70 1suh s ILE 4 CO -0.07 0.00 1.87 -0.65 -1.91 0.00 0.00 174.94 174.18 1suh h PRO 5 N 6.39 1.04 -6.95 3.50 0.11 -1.94 -3.44 132.00 130.71 1suh h PRO 5 Ca 0.03 -0.08 -0.50 0.00 0.11 0.00 0.00 66.00 65.56 1suh h PRO 5 Cb 1.19 -0.22 0.04 0.00 0.11 0.00 0.00 31.00 32.11 1suh h PRO 5 CO 0.05 0.72 0.46 -1.25 -0.21 0.00 0.00 178.00 177.77 1suh s PRO 6 N -6.04 4.07 0.23 1.05 0.04 -1.26 -2.96 135.00 130.12 1suh s PRO 6 Ca -0.13 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1suh s PRO 6 Cb 0.15 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 1suh s PRO 6 CO 0.79 -0.27 0.14 0.42 0.04 0.00 0.00 177.00 178.13 1suh s ILE 7 N -1.53 0.08 -0.03 0.56 -1.09 0.22 -4.95 121.20 114.47 1suh s ILE 7 Ca 0.58 -2.00 0.03 0.00 -2.23 0.00 0.00 60.65 57.03 1suh s ILE 7 Cb -0.27 -2.52 -0.00 0.00 -1.58 0.00 0.00 42.46 38.10 1suh s ILE 7 CO 0.33 0.00 -0.11 -0.55 -1.23 0.00 0.00 174.94 173.38 1suh s SER 8 N -3.21 1.42 -0.18 3.58 0.15 -1.26 -0.31 113.70 113.88 1suh s SER 8 Ca 0.39 -0.22 -0.05 0.00 0.70 0.00 0.00 55.95 56.77 1suh s SER 8 Cb 0.06 -0.33 0.07 0.00 -1.71 0.00 0.00 66.02 64.11 1suh s SER 8 CO 0.14 0.10 0.10 0.00 1.20 0.00 0.00 173.24 174.78 1suh s PRO 10 N 2.15 0.91 0.14 0.00 0.05 -1.26 -2.90 135.00 134.08 1suh s PRO 10 Ca 0.03 0.95 0.05 0.00 0.05 0.00 0.00 61.00 62.08 1suh s PRO 10 Cb -0.16 -1.76 -0.04 0.00 0.05 0.00 0.00 34.50 32.59 1suh s PRO 10 CO -0.12 -2.52 0.09 -1.83 0.05 0.00 0.00 177.00 172.67 1suh s GLU 11 N -4.81 2.80 -0.94 4.56 -1.05 -1.23 -3.10 118.70 114.93 1suh s GLU 11 Ca 0.65 -0.86 -0.10 0.00 -0.15 0.00 0.00 54.97 54.51 1suh s GLU 11 Cb -0.20 -2.62 0.00 0.00 -0.44 0.00 0.00 34.13 30.88 1suh s GLU 11 CO 0.58 0.50 0.68 0.09 0.95 0.00 0.00 175.26 178.07 1suh n ASN 12 N -0.04 -5.44 -2.85 0.83 3.02 -1.08 -4.81 115.26 104.90 1suh n ASN 12 Ca -0.09 -0.86 -0.12 0.00 -0.03 0.00 0.00 54.58 53.48 1suh n ASN 12 Cb 0.54 -2.79 0.09 0.00 -0.61 0.00 0.00 39.78 37.01 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 -3.21 -1.15 -4.01 3.52 1.02 -1.26 -4.86 120.64 110.69 1suh n GLU 13 Ca -0.17 -0.78 -0.24 0.00 -0.02 0.00 0.00 57.16 55.95 1suh n GLU 13 Cb 0.61 -0.61 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 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 -4.10 2.29 0.00 3.49 0.00 -1.26 -5.05 119.74 115.11 1suh s LYS 14 Ca 0.30 -1.80 0.00 0.00 0.00 0.00 0.00 55.97 54.47 1suh s LYS 14 Cb -0.02 -2.06 0.00 0.00 0.00 0.00 0.00 37.83 35.75 1suh s LYS 14 CO 0.22 -0.16 0.00 0.41 0.00 0.00 0.00 175.35 175.82 1suh n GLY 15 N -1.33 -0.43 3.48 0.59 0.00 -1.26 -4.84 105.19 101.40 1suh n GLY 15 Ca -0.00 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.52 3.11 0.77 1.61 -1.05 -1.26 -5.06 118.70 115.30 1suh s GLU 16 Ca 0.00 -0.81 -0.15 0.00 -0.15 0.00 0.00 54.97 53.86 1suh s GLU 16 Cb 0.00 -3.95 0.03 0.00 -0.44 0.00 0.00 34.13 29.77 1suh s GLU 16 CO 0.00 -0.77 0.97 1.19 0.95 0.00 0.00 175.26 177.60 1suh n PHE 17 N 5.41 0.59 -1.50 4.83 3.72 -1.26 -4.54 117.46 124.70 1suh n PHE 17 Ca -0.09 0.38 -0.32 0.00 -0.05 0.00 0.00 57.45 57.37 1suh n PHE 17 Cb 0.48 -2.05 0.07 0.00 -0.94 0.00 0.00 39.48 37.03 1suh n PHE 17 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1suh s PRO 18 N -3.58 2.56 0.01 -1.08 0.04 -1.26 -5.09 135.00 126.60 1suh s PRO 18 Ca 0.71 1.23 -0.01 0.00 0.04 0.00 0.00 61.00 62.98 1suh s PRO 18 Cb -0.32 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1suh s PRO 18 CO 0.52 -1.41 -0.00 0.21 0.04 0.00 0.00 177.00 176.36 1suh s LYS 19 N -4.59 0.21 0.54 4.56 2.20 -0.30 -4.98 119.74 117.39 1suh s LYS 19 Ca 0.63 -0.35 -0.17 0.00 -0.36 0.00 0.00 55.97 55.72 1suh s LYS 19 Cb -0.18 0.08 -0.06 0.00 -1.51 0.00 0.00 37.83 36.16 1suh s LYS 19 CO 0.50 -0.04 1.03 -0.80 -0.36 0.00 0.00 175.35 175.69 1suh s ASN 20 N -0.88 6.14 0.04 1.43 -0.87 -1.26 -1.06 114.94 118.48 1suh s ASN 20 Ca -0.10 1.80 0.00 0.00 -1.57 0.00 0.00 52.86 52.99 1suh s ASN 20 Cb -0.06 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.63 1suh s ASN 20 CO -0.00 -0.92 0.00 0.18 -2.57 0.00 0.00 177.10 173.78 1suh n LEU 21 N -1.60 0.27 -3.43 0.60 4.77 0.36 -4.87 117.00 113.10 1suh n LEU 21 Ca 0.08 0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 1suh n LEU 21 Cb 0.53 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1suh n LEU 21 CO 0.44 -0.58 0.40 0.54 -1.33 0.00 0.00 177.39 176.87 1suh s VAL 22 N -1.31 0.00 0.51 4.08 0.11 -1.01 -4.99 120.40 117.80 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 -0.06 0.00 -1.53 0.00 0.00 36.38 33.79 1suh s VAL 22 CO 0.00 -0.00 0.94 -1.10 -3.33 0.00 0.00 175.10 171.61 1suh s GLN 23 N -3.53 3.80 0.31 1.54 -0.21 -1.26 0.40 119.66 120.71 1suh s GLN 23 Ca -0.00 0.75 -0.07 0.00 0.02 0.00 0.00 55.36 56.06 1suh s GLN 23 Cb -0.01 -2.19 -0.06 0.00 1.00 0.00 0.00 33.01 31.75 1suh s GLN 23 CO -0.11 -0.29 0.61 0.42 -2.12 0.00 0.00 175.29 173.80 1suh s ILE 24 N -2.72 4.96 -0.05 1.08 1.01 0.14 -4.80 121.20 120.82 1suh s ILE 24 Ca 0.55 0.23 -0.02 0.00 0.00 0.00 0.00 60.65 61.42 1suh s ILE 24 Cb -0.10 -3.72 0.04 0.00 0.01 0.00 0.00 42.46 38.68 1suh s ILE 24 CO 0.38 -0.35 0.10 -0.54 0.00 0.00 0.00 174.94 174.53 1suh s LYS 25 N -3.55 -0.01 0.33 2.79 1.02 -1.26 -4.86 119.74 114.20 1suh s LYS 25 Ca 0.46 0.40 0.02 0.00 0.02 0.00 0.00 55.97 56.87 1suh s LYS 25 Cb -0.11 -0.33 -0.01 0.00 -0.52 0.00 0.00 37.83 36.87 1suh s LYS 25 CO 0.29 -0.26 0.07 0.45 -0.92 0.00 0.00 175.35 174.98 1suh n SER 26 N 4.88 1.83 -0.08 2.83 2.88 -1.26 -4.44 113.62 120.26 1suh n SER 26 Ca -0.13 -2.65 -0.19 0.00 -1.33 0.00 0.00 58.87 54.57 1suh n SER 26 Cb 0.50 0.60 -0.12 0.00 -0.75 0.00 0.00 64.21 64.44 1suh n SER 26 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1suh h ASN 27 N 1.12 0.04 -1.36 -3.46 -0.73 -2.01 -3.35 115.58 105.82 1suh h ASN 27 Ca -0.27 -0.71 0.40 0.00 1.87 0.00 0.00 56.30 57.59 1suh h ASN 27 Cb 0.93 -0.01 -0.05 0.00 0.27 0.00 0.00 38.32 39.45 1suh h ASN 27 CO 0.43 1.34 1.10 0.54 -0.37 0.00 0.00 177.43 180.47 1suh n ARG 28 N -4.44 0.00 0.00 6.67 5.12 -1.26 0.57 116.66 123.32 1suh n ARG 28 Ca -0.24 0.85 0.00 0.00 -1.93 0.00 0.00 57.85 56.53 1suh n ARG 28 Cb 0.64 -2.01 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 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 -3.33 0.02 -1.04 0.55 5.75 -1.26 -1.36 116.55 115.88 1suh n ASP 29 Ca 0.31 -0.30 0.12 0.00 -0.01 0.00 0.00 54.79 54.91 1suh n ASP 29 Cb 1.50 -0.01 0.15 0.00 -1.03 0.00 0.00 41.12 41.73 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 -0.38 2.38 0.00 0.11 5.02 0.19 -4.54 118.16 120.94 1suh n LYS 30 Ca 0.00 -2.08 0.00 0.00 -2.02 0.00 0.00 58.31 54.21 1suh n LYS 30 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 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 1.40 0.63 -3.57 1.97 0.28 -0.47 -5.12 120.64 115.77 1suh n GLU 31 Ca 0.16 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 57.01 1suh n GLU 31 Cb 0.60 -0.58 -0.06 0.00 1.43 0.00 0.00 31.44 32.82 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 -1.17 0.00 -0.34 3.84 -1.32 -1.19 -5.09 115.64 110.37 1suh s THR 32 Ca 0.00 0.00 -0.37 0.00 -1.21 0.00 0.00 61.69 60.11 1suh s THR 32 Cb 0.00 -1.00 -0.13 0.00 -1.51 0.00 0.00 72.50 69.86 1suh s THR 32 CO 0.00 0.00 2.06 1.17 -2.21 0.00 0.00 174.62 175.64 1suh n LYS 33 N 1.72 1.01 -3.83 7.08 4.81 -1.26 -4.37 118.16 123.31 1suh n LYS 33 Ca -0.16 0.31 -0.36 0.00 -0.87 0.00 0.00 58.31 57.23 1suh n LYS 33 Cb 0.56 -2.26 -0.06 0.00 0.02 0.00 0.00 35.03 33.29 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 6.09 5.41 0.04 3.15 0.11 -1.26 -1.51 120.40 132.43 1suh s VAL 34 Ca 1.07 0.15 -0.01 0.00 -2.93 0.00 0.00 61.98 60.26 1suh s VAL 34 Cb -0.98 -3.49 -0.04 0.00 -1.53 0.00 0.00 36.38 30.33 1suh s VAL 34 CO 0.55 0.49 0.22 -0.36 -3.33 0.00 0.00 175.10 172.67 1suh s PHE 35 N -1.17 3.53 0.40 1.54 0.40 0.20 -4.88 117.98 117.99 1suh s PHE 35 Ca 0.21 0.32 0.08 0.00 -0.60 0.00 0.00 56.93 56.94 1suh s PHE 35 Cb -0.13 -1.81 -0.02 0.00 0.51 0.00 0.00 43.02 41.58 1suh s PHE 35 CO 0.11 0.60 0.38 0.71 0.70 0.00 0.00 175.22 177.72 1suh s TYR 36 N -1.46 2.77 -0.10 0.36 2.02 0.25 -1.22 117.35 119.98 1suh s TYR 36 Ca 0.33 -0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 56.29 1suh s TYR 36 Cb -0.13 -2.10 0.07 0.00 -0.40 0.00 0.00 41.96 39.40 1suh s TYR 36 CO 0.24 -0.08 0.72 0.45 -1.57 0.00 0.00 175.55 175.31 1suh s SER 37 N -4.12 -0.65 0.02 2.29 0.15 -0.21 -4.12 113.70 107.06 1suh s SER 37 Ca 0.47 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.96 1suh s SER 37 Cb -0.04 0.70 -0.02 0.00 -1.71 0.00 0.00 66.02 64.94 1suh s SER 37 CO 0.28 -0.52 -0.04 -0.51 1.20 0.00 0.00 173.24 173.66 1suh s ILE 38 N -0.87 0.18 -0.19 6.45 2.07 -1.26 -1.23 121.20 126.36 1suh s ILE 38 Ca -0.08 -0.95 -0.16 0.00 -1.41 0.00 0.00 60.65 58.05 1suh s ILE 38 Cb -0.01 -0.33 0.05 0.00 0.13 0.00 0.00 42.46 42.30 1suh s ILE 38 CO 0.07 -0.49 0.49 0.28 -1.91 0.00 0.00 174.94 173.39 1suh s THR 39 N -1.48 -0.00 -5.00 4.00 -1.32 0.39 -4.79 115.64 107.44 1suh s THR 39 Ca -0.15 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 1suh s THR 39 Cb -0.10 -0.69 0.00 0.00 -1.51 0.00 0.00 72.50 70.20 1suh s THR 39 CO -0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1suh n GLY 40 N 3.05 0.57 3.65 6.08 0.00 -1.26 -1.25 105.19 116.04 1suh n GLY 40 Ca -0.15 -1.81 -0.50 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.39 1.75 0.00 1.61 10.64 -1.26 -0.39 117.38 129.34 1suh n GLN 41 Ca 0.00 0.63 0.00 0.00 -1.83 0.00 0.00 57.00 55.80 1suh n GLN 41 Cb 0.00 -2.37 0.00 0.00 -0.86 0.00 0.00 30.24 27.01 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 3.46 3.16 0.00 2.61 0.00 -0.38 -4.86 105.19 109.18 1suh n GLY 42 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.68 0.33 -0.02 4.61 0.00 0.48 0.32 120.51 125.55 1suh n ALA 43 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 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 -0.87 0.09 -4.92 0.00 5.75 -0.83 -1.68 116.55 114.09 1suh n ASP 44 Ca 0.00 0.04 -0.30 0.00 -0.01 0.00 0.00 54.79 54.52 1suh n ASP 44 Cb 0.00 1.61 -0.04 0.00 -1.03 0.00 0.00 41.12 41.67 1suh n ASP 44 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1suh s LYS 45 N -3.28 3.42 0.16 0.11 1.02 -0.57 -4.71 119.74 115.90 1suh s LYS 45 Ca -0.08 -0.47 -0.34 0.00 0.02 0.00 0.00 55.97 55.10 1suh s LYS 45 Cb 0.12 -3.02 -0.14 0.00 -0.52 0.00 0.00 37.83 34.27 1suh s LYS 45 CO 0.88 0.59 1.56 -2.30 -0.92 0.00 0.00 175.35 175.17 1suh n PRO 46 N 0.16 2.11 -2.04 -1.68 -0.01 -1.26 -1.25 135.00 131.02 1suh n PRO 46 Ca -0.05 0.76 -0.43 0.00 -0.01 0.00 0.00 63.50 63.77 1suh n PRO 46 Cb 0.51 -2.52 -0.03 0.00 -0.01 0.00 0.00 33.50 31.46 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 0.86 3.92 -0.03 0.52 0.04 -1.26 -4.39 135.00 134.65 1suh s PRO 47 Ca 0.79 1.90 -0.29 0.00 0.04 0.00 0.00 61.00 63.44 1suh s PRO 47 Cb -0.69 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 29.79 1suh s PRO 47 CO 0.38 -1.15 0.94 0.54 0.04 0.00 0.00 177.00 177.75 1suh s VAL 48 N 4.89 4.88 0.00 -0.36 0.11 -0.95 -1.58 120.40 127.39 1suh s VAL 48 Ca 0.74 1.96 0.00 0.00 -2.93 0.00 0.00 61.98 61.75 1suh s VAL 48 Cb -0.29 -4.28 0.00 0.00 -1.53 0.00 0.00 36.38 30.29 1suh s VAL 48 CO 0.30 0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.82 1suh n GLY 49 N 2.98 0.12 0.00 6.54 0.00 -0.67 -4.96 105.19 109.19 1suh n GLY 49 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.51 0.00 -4.06 1.61 0.31 0.15 -4.83 118.33 111.00 1suh n VAL 50 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 1suh n VAL 50 Cb 0.22 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 32.99 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 2.76 0.16 3.52 0.40 -0.14 -0.11 117.98 123.57 1suh s PHE 51 Ca 0.00 -1.79 0.07 0.00 -0.60 0.00 0.00 56.93 54.61 1suh s PHE 51 Cb 0.00 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 41.68 1suh s PHE 51 CO 0.00 -0.80 0.01 0.96 0.70 0.00 0.00 175.22 176.09 1suh s ILE 52 N 1.29 3.80 -0.00 0.64 -0.00 0.16 -4.59 121.20 122.50 1suh s ILE 52 Ca -0.01 -1.35 -0.05 0.00 -0.00 0.00 0.00 60.65 59.24 1suh s ILE 52 Cb -0.16 -2.90 -0.00 0.00 -0.00 0.00 0.00 42.46 39.40 1suh s ILE 52 CO -0.09 -0.08 0.10 0.27 -0.00 0.00 0.00 174.94 175.14 1suh s ILE 53 N -1.68 0.08 -0.63 8.37 -5.25 -1.26 -0.02 121.20 120.81 1suh s ILE 53 Ca 0.27 -0.64 -0.23 0.00 -0.99 0.00 0.00 60.65 59.07 1suh s ILE 53 Cb -0.10 -0.36 0.06 0.00 2.95 0.00 0.00 42.46 45.02 1suh s ILE 53 CO 0.19 -0.35 0.94 -0.70 -1.79 0.00 0.00 174.94 173.23 1suh s GLU 54 N -1.20 3.16 0.00 0.37 -6.30 -0.38 -4.86 118.70 109.49 1suh s GLU 54 Ca -0.13 -0.72 0.00 0.00 -2.50 0.00 0.00 54.97 51.62 1suh s GLU 54 Cb -0.07 -4.19 0.00 0.00 0.00 0.00 0.00 34.13 29.87 1suh s GLU 54 CO 0.01 -1.72 0.63 2.89 0.02 0.00 0.00 175.26 177.09 1suh n ARG 55 N 7.59 0.00 0.00 4.30 1.85 -1.26 0.42 116.66 129.56 1suh n ARG 55 Ca -0.03 0.19 0.00 0.00 -1.00 0.00 0.00 57.85 57.02 1suh n ARG 55 Cb 0.46 -1.66 0.00 0.00 -1.05 0.00 0.00 32.46 30.21 1suh n ARG 55 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1suh n GLU 56 N -1.13 0.00 0.02 2.89 1.02 -1.26 -0.58 120.64 121.60 1suh n GLU 56 Ca 0.00 0.07 0.14 0.00 -0.02 0.00 0.00 57.16 57.34 1suh n GLU 56 Cb 0.16 -0.42 0.56 0.00 -0.02 0.00 0.00 31.44 31.71 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 -2.01 0.12 -1.01 2.62 -2.24 -1.15 -4.70 114.28 105.92 1suh n THR 57 Ca 0.00 -0.06 -0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1suh n THR 57 Cb 0.00 -0.48 -0.00 0.00 -2.10 0.00 0.00 70.33 67.75 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 1.46 0.46 3.62 3.38 0.00 0.17 -4.50 105.19 109.78 1suh n GLY 58 Ca 0.07 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.99 1.33 -0.38 1.61 0.52 -1.25 0.27 118.94 119.06 1suh s TRP 59 Ca 0.00 0.26 -0.22 0.00 0.02 0.00 0.00 56.10 56.16 1suh s TRP 59 Cb 0.00 -4.04 0.01 0.00 -1.15 0.00 0.00 33.47 28.29 1suh s TRP 59 CO 0.00 -4.33 0.73 -1.17 0.02 0.00 0.00 176.95 172.21 1suh s LEU 60 N 6.83 4.20 0.28 2.99 0.20 0.16 -1.24 118.68 132.10 1suh s LEU 60 Ca 0.93 0.19 0.11 0.00 0.69 0.00 0.00 54.13 56.05 1suh s LEU 60 Cb -0.34 -2.93 -0.05 0.00 -0.43 0.00 0.00 46.19 42.44 1suh s LEU 60 CO 0.36 -0.72 -0.15 -0.54 -0.29 0.00 0.00 176.35 175.02 1suh s LYS 61 N 2.99 1.82 0.04 1.98 1.02 0.97 -0.49 119.74 128.08 1suh s LYS 61 Ca 0.29 -1.72 0.03 0.00 0.02 0.00 0.00 55.97 54.59 1suh s LYS 61 Cb -0.13 -1.84 -0.02 0.00 -0.52 0.00 0.00 37.83 35.31 1suh s LYS 61 CO 0.17 0.31 -0.10 0.14 -0.92 0.00 0.00 175.35 174.96 1suh s VAL 62 N -2.48 0.74 -0.20 3.17 -7.23 -0.23 0.36 120.40 114.53 1suh s VAL 62 Ca 0.31 -0.95 0.21 0.00 -1.81 0.00 0.00 61.98 59.74 1suh s VAL 62 Cb -0.04 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 1suh s VAL 62 CO 0.16 -0.18 0.97 0.35 -0.31 0.00 0.00 175.10 176.09 1suh n THR 63 N 1.80 0.76 -3.86 5.32 -2.24 0.85 -1.15 114.28 115.76 1suh n THR 63 Ca -0.20 -0.59 -0.12 0.00 -2.27 0.00 0.00 64.05 60.88 1suh n THR 63 Cb 0.55 -0.44 -0.13 0.00 -2.10 0.00 0.00 70.33 68.21 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 -3.25 0.07 1.16 -0.78 -0.21 -1.20 -4.60 119.66 110.85 1suh s GLN 64 Ca -0.01 0.05 -0.14 0.00 0.02 0.00 0.00 55.36 55.28 1suh s GLN 64 Cb 0.09 0.03 0.28 0.00 1.00 0.00 0.00 33.01 34.42 1suh s GLN 64 CO 0.80 -0.01 1.03 -1.25 -2.12 0.00 0.00 175.29 173.74 1suh s PRO 65 N -0.03 -0.91 0.58 2.91 0.04 -1.26 -4.90 135.00 131.43 1suh s PRO 65 Ca -0.01 0.64 -0.00 0.00 0.04 0.00 0.00 61.00 61.67 1suh s PRO 65 Cb -0.01 -1.57 0.04 0.00 0.04 0.00 0.00 34.50 33.01 1suh s PRO 65 CO 0.00 -3.67 0.83 -0.51 0.04 0.00 0.00 177.00 173.69 1suh s LEU 66 N -7.13 3.18 -0.23 -3.56 1.02 -1.18 -4.75 118.68 106.04 1suh s LEU 66 Ca 0.68 0.05 -0.03 0.00 0.02 0.00 0.00 54.13 54.85 1suh s LEU 66 Cb -0.22 -2.88 0.11 0.00 0.02 0.00 0.00 46.19 43.22 1suh s LEU 66 CO 0.62 -1.25 0.24 -0.62 0.02 0.00 0.00 176.35 175.36 1suh s ASP 67 N -4.45 1.50 0.47 2.29 -1.08 -1.26 -2.62 116.67 111.52 1suh s ASP 67 Ca 0.58 -0.37 0.19 0.00 -0.52 0.00 0.00 52.55 52.43 1suh s ASP 67 Cb -0.10 0.41 1.20 0.00 -1.46 0.00 0.00 42.92 42.97 1suh s ASP 67 CO 0.40 -0.34 1.97 0.03 0.52 0.00 0.00 175.17 177.74 1suh h ARG 68 N 8.30 0.23 -0.35 4.34 3.08 -1.94 0.32 114.38 128.35 1suh h ARG 68 Ca -0.17 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.91 1suh h ARG 68 Cb 1.13 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 1suh h ARG 68 CO 0.30 0.15 0.24 0.93 -1.07 0.00 0.00 179.97 180.52 1suh h GLU 69 N 0.23 0.29 0.00 0.04 4.39 -2.02 -3.21 114.58 114.30 1suh h GLU 69 Ca 0.30 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.82 1suh h GLU 69 Cb 0.85 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 1suh h GLU 69 CO -0.06 0.19 -1.28 0.00 -1.16 0.00 0.00 179.01 176.70 1suh n ALA 70 N -2.52 0.81 -3.72 3.43 0.00 0.79 -4.97 120.51 114.33 1suh n ALA 70 Ca 0.04 -0.70 -0.16 0.00 0.00 0.00 0.00 53.44 52.61 1suh n ALA 70 Cb 0.21 -0.07 -0.16 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.52 -0.10 -2.20 0.00 1.01 0.63 -5.00 121.20 113.01 1suh s ILE 71 Ca -0.27 0.29 0.27 0.00 0.00 0.00 0.00 60.65 60.94 1suh s ILE 71 Cb 0.06 -0.17 0.42 0.00 0.01 0.00 0.00 42.46 42.79 1suh s ILE 71 CO 0.42 0.12 1.66 0.00 0.00 0.00 0.00 174.94 177.14 1suh n ALA 72 N 4.67 2.78 -3.64 9.38 0.00 -1.25 -3.74 120.51 128.71 1suh n ALA 72 Ca -0.17 -0.43 -0.01 0.00 0.00 0.00 0.00 53.44 52.82 1suh n ALA 72 Cb 0.50 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.21 0.57 0.02 0.00 2.20 -1.26 -0.68 119.74 118.38 1suh s LYS 73 Ca 0.32 1.42 -0.02 0.00 -0.36 0.00 0.00 55.97 57.33 1suh s LYS 73 Cb 0.20 0.83 -0.04 0.00 -1.51 0.00 0.00 37.83 37.31 1suh s LYS 73 CO 0.41 -0.19 0.21 0.71 -0.36 0.00 0.00 175.35 176.12 1suh s TYR 74 N 2.82 3.54 -0.07 4.03 1.51 0.18 -4.95 117.35 124.42 1suh s TYR 74 Ca -0.06 0.36 0.00 0.00 -1.01 0.00 0.00 57.07 56.36 1suh s TYR 74 Cb -0.11 -1.83 0.02 0.00 -0.11 0.00 0.00 41.96 39.92 1suh s TYR 74 CO -0.19 0.62 -0.06 0.42 -1.11 0.00 0.00 175.55 175.23 1suh s ILE 75 N -1.39 0.75 0.12 2.71 1.01 -1.26 -0.32 121.20 122.83 1suh s ILE 75 Ca 0.30 -0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.83 1suh s ILE 75 Cb -0.13 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 1suh s ILE 75 CO 0.21 0.30 -0.14 -0.76 0.00 0.00 0.00 174.94 174.55 1suh s LEU 76 N 1.31 2.41 -0.18 2.97 1.43 -0.31 -4.50 118.68 121.81 1suh s LEU 76 Ca -0.04 -0.82 -0.09 0.00 -1.03 0.00 0.00 54.13 52.15 1suh s LEU 76 Cb -0.14 -0.57 -0.05 0.00 0.03 0.00 0.00 46.19 45.47 1suh s LEU 76 CO -0.03 -0.14 0.14 -0.31 0.23 0.00 0.00 176.35 176.25 1suh s TYR 77 N -2.14 3.46 0.19 0.29 2.02 -0.38 0.45 117.35 121.25 1suh s TYR 77 Ca 0.09 0.40 0.11 0.00 -0.37 0.00 0.00 57.07 57.30 1suh s TYR 77 Cb -0.05 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.36 1suh s TYR 77 CO 0.03 0.41 -0.21 -1.54 -1.57 0.00 0.00 175.55 172.67 1suh s SER 78 N -0.01 3.60 0.08 2.29 1.04 0.51 -0.46 113.70 120.75 1suh s SER 78 Ca 0.10 -0.82 0.05 0.00 0.48 0.00 0.00 55.95 55.77 1suh s SER 78 Cb -0.11 -0.35 -0.03 0.00 0.10 0.00 0.00 66.02 65.63 1suh s SER 78 CO -0.00 0.11 -0.15 -1.00 0.98 0.00 0.00 173.24 173.19 1suh s HIS 79 N -1.71 1.29 0.03 5.02 0.09 -0.36 -2.95 115.29 116.70 1suh s HIS 79 Ca 0.22 -0.48 0.03 0.00 -0.00 0.00 0.00 55.06 54.83 1suh s HIS 79 Cb -0.08 -0.71 -0.02 0.00 -0.00 0.00 0.00 32.58 31.77 1suh s HIS 79 CO 0.11 0.08 -0.08 0.00 -0.00 0.00 0.00 174.74 174.85 1suh s ALA 80 N -1.42 0.64 0.01 -1.40 0.00 -1.26 -1.04 121.76 117.29 1suh s ALA 80 Ca 0.01 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.35 1suh s ALA 80 Cb -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1suh s ALA 80 CO 0.02 0.06 -0.07 0.08 0.00 0.00 0.00 175.76 175.85 1suh s VAL 81 N -0.96 0.53 0.14 0.00 1.01 -0.36 0.26 120.40 121.04 1suh s VAL 81 Ca -0.05 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 1suh s VAL 81 Cb -0.07 -0.50 -0.07 0.00 0.00 0.00 0.00 36.38 35.73 1suh s VAL 81 CO 0.00 -0.05 1.15 -0.94 0.00 0.00 0.00 175.10 175.27 1suh s SER 82 N -0.68 7.17 0.00 3.32 1.04 0.83 0.58 113.70 125.96 1suh s SER 82 Ca -0.02 2.10 0.00 0.00 0.48 0.00 0.00 55.95 58.51 1suh s SER 82 Cb -0.05 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1suh s SER 82 CO 0.00 -0.33 0.04 -1.20 0.98 0.00 0.00 173.24 172.73 1suh n SER 83 N 2.87 0.03 0.00 7.02 7.64 -0.57 -1.15 113.62 129.46 1suh n SER 83 Ca 0.05 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1suh n SER 83 Cb 0.46 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1suh n SER 83 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1suh n ASN 84 N -0.02 1.06 0.00 6.43 6.94 -1.26 -4.99 115.26 123.42 1suh n ASN 84 Ca 0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 54.58 53.28 1suh n ASN 84 Cb 0.01 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 1suh n ASN 84 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1suh n GLY 85 N -0.14 0.69 3.49 4.83 0.00 -0.30 -5.07 105.19 108.70 1suh n GLY 85 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.79 3.21 0.14 1.61 0.41 -1.24 -4.93 118.70 117.11 1suh s GLU 86 Ca 0.00 -0.78 -0.31 0.00 -0.41 0.00 0.00 54.97 53.47 1suh s GLU 86 Cb 0.00 -3.91 -0.09 0.00 -1.78 0.00 0.00 34.13 28.35 1suh s GLU 86 CO 0.00 -0.67 1.57 0.00 -0.49 0.00 0.00 175.26 175.67 1suh s ALA 87 N 1.85 3.74 -0.06 5.21 0.00 -1.26 -0.12 121.76 131.12 1suh s ALA 87 Ca 0.08 1.31 0.14 0.00 0.00 0.00 0.00 51.96 53.49 1suh s ALA 87 Cb -0.18 -3.63 0.28 0.00 0.00 0.00 0.00 23.12 19.59 1suh s ALA 87 CO 0.11 -0.84 1.13 1.33 0.00 0.00 0.00 175.76 177.49 1suh n VAL 88 N 4.15 0.69 -2.72 0.00 0.24 -0.85 -4.83 118.33 115.02 1suh n VAL 88 Ca 0.14 -1.31 -0.35 0.00 -2.04 0.00 0.00 64.34 60.78 1suh n VAL 88 Cb 0.39 0.43 -0.06 0.00 -1.47 0.00 0.00 33.84 33.14 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 -1.04 4.31 -0.02 7.34 4.04 0.74 -4.39 118.70 129.68 1suh s GLU 89 Ca 0.24 1.30 -0.22 0.00 0.04 0.00 0.00 54.97 56.33 1suh s GLU 89 Cb 0.25 -2.48 0.05 0.00 0.02 0.00 0.00 34.13 31.97 1suh s GLU 89 CO -0.07 0.02 0.49 -0.51 -1.84 0.00 0.00 175.26 173.35 1suh s ASP 90 N -1.82 -0.41 -0.82 0.83 1.01 -1.26 -4.80 116.67 109.40 1suh s ASP 90 Ca 0.57 0.36 -0.20 0.00 0.71 0.00 0.00 52.55 53.99 1suh s ASP 90 Cb -0.16 0.43 -0.19 0.00 1.01 0.00 0.00 42.92 44.01 1suh s ASP 90 CO 0.21 -0.54 2.11 -2.65 0.21 0.00 0.00 175.17 174.51 1suh n PRO 91 N 1.03 0.26 -3.67 8.23 -0.01 -1.26 -4.58 135.00 135.00 1suh n PRO 91 Ca -0.20 -0.88 -0.37 0.00 -0.01 0.00 0.00 63.50 62.03 1suh n PRO 91 Cb 0.57 -3.03 -0.12 0.00 -0.01 0.00 0.00 33.50 30.91 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 8.05 3.73 -0.35 -0.52 -1.94 -1.15 -4.99 119.30 122.13 1suh s MET 92 Ca 0.85 -0.45 -0.21 0.00 -1.71 0.00 0.00 55.69 54.17 1suh s MET 92 Cb -0.20 -3.50 0.00 0.00 2.01 0.00 0.00 34.83 33.13 1suh s MET 92 CO 0.18 -0.22 0.67 -1.21 -0.01 0.00 0.00 175.02 174.44 1suh s GLU 93 N 1.68 3.73 -0.30 2.03 8.01 -1.26 -0.37 118.70 132.22 1suh s GLU 93 Ca 0.06 0.16 -0.22 0.00 0.01 0.00 0.00 54.97 54.99 1suh s GLU 93 Cb -0.16 -3.80 -0.01 0.00 -4.31 0.00 0.00 34.13 25.86 1suh s GLU 93 CO 0.07 -0.74 0.69 0.42 0.01 0.00 0.00 175.26 175.72 1suh s ILE 94 N 2.79 4.88 -0.21 -1.63 1.01 0.17 -4.94 121.20 123.28 1suh s ILE 94 Ca 0.26 1.00 -0.10 0.00 0.00 0.00 0.00 60.65 61.81 1suh s ILE 94 Cb -0.14 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 1suh s ILE 94 CO 0.15 -0.18 0.15 -0.69 0.00 0.00 0.00 174.94 174.37 1suh s VAL 95 N 2.75 5.38 -0.19 2.92 1.01 -1.16 -1.16 120.40 129.96 1suh s VAL 95 Ca 0.28 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 1suh s VAL 95 Cb -0.15 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.79 1suh s VAL 95 CO 0.12 0.40 -0.04 -0.63 0.00 0.00 0.00 175.10 174.96 1suh s ILE 96 N 0.60 1.12 0.17 2.22 1.01 0.57 0.72 121.20 127.61 1suh s ILE 96 Ca 0.09 -0.78 -0.15 0.00 0.00 0.00 0.00 60.65 59.81 1suh s ILE 96 Cb -0.12 -1.38 -0.07 0.00 0.01 0.00 0.00 42.46 40.90 1suh s ILE 96 CO 0.01 0.01 0.59 0.28 0.00 0.00 0.00 174.94 175.82 1suh s THR 97 N 1.61 4.80 -0.04 2.92 -1.32 0.57 0.49 115.64 124.67 1suh s THR 97 Ca -0.01 0.90 -0.20 0.00 -1.21 0.00 0.00 61.69 61.17 1suh s THR 97 Cb -0.17 -3.75 -0.05 0.00 -1.51 0.00 0.00 72.50 67.03 1suh s THR 97 CO -0.07 0.20 0.58 -0.69 -2.21 0.00 0.00 174.62 172.43 1suh s VAL 98 N -1.51 5.00 0.07 5.08 1.01 0.14 -0.87 120.40 129.32 1suh s VAL 98 Ca 0.40 1.19 0.01 0.00 0.00 0.00 0.00 61.98 63.58 1suh s VAL 98 Cb -0.15 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1suh s VAL 98 CO 0.20 0.38 0.15 -0.89 0.00 0.00 0.00 175.10 174.94 1suh s THR 99 N 0.10 5.01 0.36 3.92 2.01 -1.14 -4.91 115.64 120.97 1suh s THR 99 Ca 0.31 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.69 1suh s THR 99 Cb -0.17 -3.43 0.09 0.00 0.01 0.00 0.00 72.50 69.00 1suh s THR 99 CO 0.16 0.13 0.22 -0.67 -0.69 0.00 0.00 174.62 173.77 1suh n ASP 100 N 0.36 -2.35 0.00 3.53 -0.08 -1.26 -3.48 116.55 113.27 1suh n ASP 100 Ca -0.07 -0.28 0.00 0.00 -1.51 0.00 0.00 54.79 52.93 1suh n ASP 100 Cb 0.51 -0.25 0.00 0.00 2.34 0.00 0.00 41.12 43.73 1suh n ASP 100 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1suh n GLN 101 N -2.85 0.00 0.00 -0.67 0.00 -1.26 -4.48 117.38 108.11 1suh n GLN 101 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.03 1suh n GLN 101 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.39 1suh n GLN 101 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1suh n ASN 102 N 0.00 0.00 0.00 1.69 4.13 -1.26 -4.89 115.26 114.93 1suh n ASN 102 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1suh n ASN 102 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1suh n ASN 102 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1suh n ASP 103 N 0.00 -1.07 0.00 6.41 2.03 -1.26 -5.20 116.55 117.46 1suh n ASP 103 Ca 0.00 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.36 1suh n ASP 103 Cb 0.00 0.00 0.29 0.00 -0.72 0.00 0.00 41.12 40.69 1suh n ASP 103 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82