#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 2.36 -0.41 1.24 0.52 -1.26 -4.88 118.94 116.50 1suh s TRP 2 Ca 0.00 0.12 0.07 0.00 0.02 0.00 0.00 56.10 56.31 1suh s TRP 2 Cb 0.00 -4.58 0.18 0.00 -1.15 0.00 0.00 33.47 27.92 1suh s TRP 2 CO 0.00 -1.94 0.65 0.14 0.02 0.00 0.00 176.95 175.82 1suh s VAL 3 N 5.60 -0.97 -0.44 4.03 -7.23 -1.26 -4.33 120.40 115.81 1suh s VAL 3 Ca 0.38 -0.07 0.06 0.00 -1.81 0.00 0.00 61.98 60.55 1suh s VAL 3 Cb -0.08 0.00 0.18 0.00 0.56 0.00 0.00 36.38 37.04 1suh s VAL 3 CO 0.18 0.00 0.57 -0.51 -0.31 0.00 0.00 175.10 175.03 1suh s ILE 4 N 1.79 -0.68 0.14 -0.62 2.07 -1.26 -5.02 121.20 117.61 1suh s ILE 4 Ca 0.17 -0.90 -0.13 0.00 -1.41 0.00 0.00 60.65 58.37 1suh s ILE 4 Cb -0.03 -0.31 -0.00 0.00 0.13 0.00 0.00 42.46 42.25 1suh s ILE 4 CO -0.07 -0.29 1.59 -0.65 -1.91 0.00 0.00 174.94 173.61 1suh h PRO 5 N 6.16 0.79 -6.97 3.50 0.11 -1.95 -3.45 132.00 130.18 1suh h PRO 5 Ca 0.08 -0.25 -0.49 0.00 0.11 0.00 0.00 66.00 65.46 1suh h PRO 5 Cb 1.09 -0.07 0.03 0.00 0.11 0.00 0.00 31.00 32.16 1suh h PRO 5 CO 0.12 0.85 0.43 -1.25 -0.21 0.00 0.00 178.00 177.94 1suh s PRO 6 N -5.01 4.08 0.21 1.05 0.04 -1.26 -2.96 135.00 131.15 1suh s PRO 6 Ca -0.13 1.56 -0.05 0.00 0.04 0.00 0.00 61.00 62.42 1suh s PRO 6 Cb 0.11 -2.50 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 1suh s PRO 6 CO 0.81 -0.23 0.24 0.42 0.04 0.00 0.00 177.00 178.28 1suh s ILE 7 N -1.65 0.00 0.01 0.56 -1.09 0.27 -4.93 121.20 114.37 1suh s ILE 7 Ca 0.59 -1.81 -0.01 0.00 -2.23 0.00 0.00 60.65 57.19 1suh s ILE 7 Cb -0.23 -2.40 -0.01 0.00 -1.58 0.00 0.00 42.46 38.24 1suh s ILE 7 CO 0.29 -0.00 -0.00 -0.55 -1.23 0.00 0.00 174.94 173.44 1suh s SER 8 N -3.11 0.16 -0.00 3.58 0.15 -1.26 -0.56 113.70 112.66 1suh s SER 8 Ca 0.34 -0.36 -0.01 0.00 0.70 0.00 0.00 55.95 56.62 1suh s SER 8 Cb 0.05 0.10 -0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1suh s SER 8 CO 0.11 -0.25 0.02 0.00 1.20 0.00 0.00 173.24 174.32 1suh s PRO 10 N -0.27 3.01 0.25 0.00 0.04 -1.26 -2.58 135.00 134.19 1suh s PRO 10 Ca -0.03 1.60 0.08 0.00 0.04 0.00 0.00 61.00 62.69 1suh s PRO 10 Cb -0.02 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1suh s PRO 10 CO -0.00 -1.12 0.06 -2.00 0.04 0.00 0.00 177.00 173.98 1suh s GLU 11 N -3.59 2.52 -0.38 4.56 2.12 -1.21 -3.14 118.70 119.57 1suh s GLU 11 Ca 0.72 -1.26 -0.02 0.00 0.36 0.00 0.00 54.97 54.77 1suh s GLU 11 Cb -0.24 -2.32 0.02 0.00 0.26 0.00 0.00 34.13 31.85 1suh s GLU 11 CO 0.34 0.39 0.07 0.09 -0.54 0.00 0.00 175.26 175.61 1suh n ASN 12 N -0.88 -1.69 -4.75 -1.70 3.02 -0.68 -4.76 115.26 103.82 1suh n ASN 12 Ca -0.07 0.28 -0.38 0.00 -0.03 0.00 0.00 54.58 54.38 1suh n ASN 12 Cb 0.58 -1.54 0.04 0.00 -0.61 0.00 0.00 39.78 38.25 1suh n ASN 12 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1suh s GLU 13 N -5.22 3.14 -0.12 3.52 2.12 -1.26 -4.92 118.70 115.95 1suh s GLU 13 Ca 0.08 2.08 -0.09 0.00 0.36 0.00 0.00 54.97 57.40 1suh s GLU 13 Cb -0.05 -2.18 0.04 0.00 0.26 0.00 0.00 34.13 32.20 1suh s GLU 13 CO 0.10 -1.14 0.31 -1.59 -0.54 0.00 0.00 175.26 172.40 1suh s LYS 14 N -2.99 0.33 0.00 4.30 0.00 -1.26 -4.74 119.74 115.37 1suh s LYS 14 Ca 0.73 0.52 0.00 0.00 0.00 0.00 0.00 55.97 57.21 1suh s LYS 14 Cb -0.37 0.07 0.00 0.00 0.00 0.00 0.00 37.83 37.53 1suh s LYS 14 CO 0.42 -0.09 0.00 0.41 0.00 0.00 0.00 175.35 176.09 1suh n GLY 15 N 3.47 -0.38 3.69 0.59 0.00 -1.26 -5.12 105.19 106.18 1suh n GLY 15 Ca -0.18 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 2.55 0.04 1.61 2.02 -1.26 -5.13 118.70 118.53 1suh s GLU 16 Ca 0.00 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.16 1suh s GLU 16 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 34.13 31.66 1suh s GLU 16 CO 0.00 0.54 -0.05 -0.06 0.02 0.00 0.00 175.26 175.71 1suh s PHE 17 N -1.33 0.53 0.89 1.61 0.08 -1.26 -4.29 117.98 114.22 1suh s PHE 17 Ca 0.26 -0.63 -0.12 0.00 0.12 0.00 0.00 56.93 56.56 1suh s PHE 17 Cb -0.12 -0.33 0.13 0.00 -0.57 0.00 0.00 43.02 42.13 1suh s PHE 17 CO 0.18 -0.17 1.11 -1.25 -0.10 0.00 0.00 175.22 175.00 1suh s PRO 18 N -2.07 1.28 -0.07 0.24 0.04 -1.26 -5.11 135.00 128.04 1suh s PRO 18 Ca -0.08 0.54 0.01 0.00 0.04 0.00 0.00 61.00 61.51 1suh s PRO 18 Cb -0.06 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.66 1suh s PRO 18 CO -0.02 -2.16 -0.08 0.21 0.04 0.00 0.00 177.00 175.00 1suh s LYS 19 N -5.11 1.27 0.50 4.56 2.20 -0.27 -4.97 119.74 117.92 1suh s LYS 19 Ca 0.63 -0.23 -0.20 0.00 -0.36 0.00 0.00 55.97 55.81 1suh s LYS 19 Cb -0.16 -1.20 -0.08 0.00 -1.51 0.00 0.00 37.83 34.88 1suh s LYS 19 CO 0.55 -0.09 1.04 -0.80 -0.36 0.00 0.00 175.35 175.69 1suh s ASN 20 N 1.05 6.30 0.08 1.43 -0.87 -1.26 -1.31 114.94 120.35 1suh s ASN 20 Ca -0.08 1.90 0.00 0.00 -1.57 0.00 0.00 52.86 53.11 1suh s ASN 20 Cb -0.14 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.53 1suh s ASN 20 CO -0.00 -0.81 0.00 0.18 -2.57 0.00 0.00 177.10 173.89 1suh n LEU 21 N -1.10 0.45 -3.43 0.60 4.77 -0.27 -4.90 117.00 113.12 1suh n LEU 21 Ca 0.09 0.13 -0.12 0.00 -0.03 0.00 0.00 56.01 56.08 1suh n LEU 21 Cb 0.53 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1suh n LEU 21 CO 0.41 -0.49 0.42 0.54 -1.33 0.00 0.00 177.39 176.94 1suh s VAL 22 N -2.00 0.00 0.50 4.08 0.11 -1.07 -5.02 120.40 117.01 1suh s VAL 22 Ca 0.00 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 1suh s VAL 22 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1suh s VAL 22 CO 0.00 0.00 0.82 -1.10 -3.33 0.00 0.00 175.10 171.49 1suh s GLN 23 N -3.63 3.48 0.19 1.54 -0.21 -1.26 -0.13 119.66 119.64 1suh s GLN 23 Ca 0.01 0.23 0.04 0.00 0.02 0.00 0.00 55.36 55.66 1suh s GLN 23 Cb -0.01 -2.34 -0.03 0.00 1.00 0.00 0.00 33.01 31.63 1suh s GLN 23 CO -0.12 -0.29 0.25 0.42 -2.12 0.00 0.00 175.29 173.43 1suh s ILE 24 N -2.81 4.96 -0.03 1.08 -1.09 0.86 -4.81 121.20 119.37 1suh s ILE 24 Ca 0.49 -0.95 -0.01 0.00 -2.23 0.00 0.00 60.65 57.94 1suh s ILE 24 Cb -0.10 -3.60 0.03 0.00 -1.58 0.00 0.00 42.46 37.21 1suh s ILE 24 CO 0.46 -0.18 0.06 -0.54 -1.23 0.00 0.00 174.94 173.51 1suh s LYS 25 N -3.43 -0.02 0.00 2.79 1.02 -1.26 -4.89 119.74 113.95 1suh s LYS 25 Ca 0.33 0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.60 1suh s LYS 25 Cb -0.10 -0.28 0.00 0.00 -0.52 0.00 0.00 37.83 36.93 1suh s LYS 25 CO 0.27 -0.20 0.00 0.45 -0.92 0.00 0.00 175.35 174.94 1suh n SER 26 N 4.44 0.00 0.00 2.83 2.88 -1.26 -4.43 113.62 118.07 1suh n SER 26 Ca -0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 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 0.00 0.06 -3.46 2.85 -1.26 -4.12 115.26 109.33 1suh n ASN 27 Ca 0.00 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.50 1suh n ASN 27 Cb 0.00 0.36 0.15 0.00 1.24 0.00 0.00 39.78 41.53 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 -2.48 0.04 0.00 1.20 5.12 -1.26 -1.75 116.66 117.52 1suh n ARG 28 Ca 0.00 0.44 0.00 0.00 -1.93 0.00 0.00 57.85 56.36 1suh n ARG 28 Cb 0.00 -1.80 0.00 0.00 -1.16 0.00 0.00 32.46 29.50 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 -1.63 0.09 0.01 0.55 5.75 -1.26 -1.56 116.55 118.50 1suh n ASP 29 Ca -0.00 -0.40 0.11 0.00 -0.01 0.00 0.00 54.79 54.48 1suh n ASP 29 Cb 0.19 -0.04 -0.09 0.00 -1.03 0.00 0.00 41.12 40.14 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 -0.11 0.36 -0.07 0.11 5.02 -0.72 -4.48 118.16 118.26 1suh n LYS 30 Ca 0.00 -0.07 -0.09 0.00 -2.02 0.00 0.00 58.31 56.13 1suh n LYS 30 Cb 0.02 -1.55 -0.08 0.00 -0.02 0.00 0.00 35.03 33.40 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 -1.97 0.99 -3.56 1.97 0.28 -0.60 -5.06 120.64 112.70 1suh n GLU 31 Ca 0.00 0.06 -0.17 0.00 -0.16 0.00 0.00 57.16 56.89 1suh n GLU 31 Cb 0.46 -1.33 -0.06 0.00 1.43 0.00 0.00 31.44 31.94 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 0.01 0.41 3.84 -1.32 -1.24 -5.13 115.64 109.89 1suh s THR 32 Ca -0.16 -0.07 -0.23 0.00 -1.21 0.00 0.00 61.69 60.02 1suh s THR 32 Cb 0.05 -0.94 -0.12 0.00 -1.51 0.00 0.00 72.50 69.98 1suh s THR 32 CO 0.43 -0.04 0.65 1.17 -2.21 0.00 0.00 174.62 174.62 1suh n LYS 33 N 1.00 0.72 -3.86 7.08 4.81 -1.26 -4.43 118.16 122.22 1suh n LYS 33 Ca -0.19 0.26 -0.12 0.00 -0.87 0.00 0.00 58.31 57.39 1suh n LYS 33 Cb 0.57 -1.61 -0.14 0.00 0.02 0.00 0.00 35.03 33.87 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 -1.40 0.00 0.27 3.15 0.11 -1.26 -1.13 120.40 120.14 1suh s VAL 34 Ca 0.63 -0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.72 1suh s VAL 34 Cb -0.61 -0.04 -0.03 0.00 -1.53 0.00 0.00 36.38 34.17 1suh s VAL 34 CO 0.58 -0.00 0.40 -0.36 -3.33 0.00 0.00 175.10 172.39 1suh s PHE 35 N -0.00 3.42 0.47 1.54 0.08 0.17 -4.87 117.98 118.80 1suh s PHE 35 Ca -0.00 0.02 0.06 0.00 0.12 0.00 0.00 56.93 57.14 1suh s PHE 35 Cb -0.00 -1.67 -0.00 0.00 -0.57 0.00 0.00 43.02 40.78 1suh s PHE 35 CO 0.00 0.34 0.34 0.71 -0.10 0.00 0.00 175.22 176.51 1suh s TYR 36 N -2.06 2.18 -0.10 0.36 1.51 0.03 -1.12 117.35 118.15 1suh s TYR 36 Ca 0.36 -0.68 -0.30 0.00 -1.01 0.00 0.00 57.07 55.44 1suh s TYR 36 Cb -0.09 -2.00 0.07 0.00 -0.11 0.00 0.00 41.96 39.84 1suh s TYR 36 CO 0.30 -0.20 0.71 -1.54 -1.11 0.00 0.00 175.55 173.71 1suh s SER 37 N -4.14 -0.66 0.02 2.29 1.04 -0.34 -4.26 113.70 107.65 1suh s SER 37 Ca 0.39 0.83 -0.01 0.00 0.48 0.00 0.00 55.95 57.64 1suh s SER 37 Cb -0.01 0.69 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 1suh s SER 37 CO 0.23 -0.53 -0.01 -0.51 0.98 0.00 0.00 173.24 173.40 1suh s ILE 38 N -0.91 0.11 -0.16 -1.02 2.07 -1.26 -0.48 121.20 119.55 1suh s ILE 38 Ca -0.09 -0.89 -0.27 0.00 -1.41 0.00 0.00 60.65 57.99 1suh s ILE 38 Cb -0.01 -0.29 0.07 0.00 0.13 0.00 0.00 42.46 42.36 1suh s ILE 38 CO 0.08 -0.49 0.67 0.28 -1.91 0.00 0.00 174.94 173.57 1suh s THR 39 N -1.47 0.00 -4.20 4.00 -1.32 0.19 -4.88 115.64 107.95 1suh s THR 39 Ca -0.16 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.31 1suh s THR 39 Cb -0.10 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 1suh s THR 39 CO -0.01 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 1suh n GLY 40 N 1.88 0.95 3.70 6.08 0.00 -1.26 -1.06 105.19 115.48 1suh n GLY 40 Ca -0.16 -2.00 -0.54 0.00 0.00 0.00 0.00 46.02 43.32 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 -1.08 1.49 0.00 1.61 10.64 -1.26 -0.42 117.38 128.36 1suh n GLN 41 Ca 0.00 0.55 0.00 0.00 -1.83 0.00 0.00 57.00 55.72 1suh n GLN 41 Cb 0.00 -2.28 0.00 0.00 -0.86 0.00 0.00 30.24 27.10 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 4.22 2.00 0.73 2.61 0.00 -0.50 -4.70 105.19 109.54 1suh n GLY 42 Ca 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.35 2.20 -0.03 4.61 0.00 0.44 0.45 120.51 127.84 1suh n ALA 43 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.37 1suh n ALA 43 Cb 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.37 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 -2.69 1.83 -4.92 0.00 5.75 -0.94 -1.61 116.55 113.97 1suh n ASP 44 Ca -0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.47 1suh n ASP 44 Cb 0.02 1.34 -0.04 0.00 -1.03 0.00 0.00 41.12 41.41 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 -2.73 3.46 0.22 0.11 1.02 -0.94 -4.73 119.74 116.14 1suh s LYS 45 Ca -0.06 -0.43 -0.32 0.00 0.02 0.00 0.00 55.97 55.19 1suh s LYS 45 Cb 0.07 -3.01 -0.12 0.00 -0.52 0.00 0.00 37.83 34.25 1suh s LYS 45 CO 0.56 0.58 1.69 -0.35 -0.92 0.00 0.00 175.35 176.92 1suh n PRO 46 N 0.17 2.72 -2.10 -1.68 -0.04 -1.26 -1.42 135.00 131.39 1suh n PRO 46 Ca -0.05 0.98 -0.43 0.00 -0.04 0.00 0.00 63.50 63.96 1suh n PRO 46 Cb 0.51 -2.81 -0.03 0.00 -0.04 0.00 0.00 33.50 31.14 1suh n PRO 46 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1suh s PRO 47 N 0.88 4.07 0.32 0.54 0.04 -1.26 -4.53 135.00 135.06 1suh s PRO 47 Ca 0.74 1.96 -0.25 0.00 0.04 0.00 0.00 61.00 63.49 1suh s PRO 47 Cb -0.52 -3.97 -0.10 0.00 0.04 0.00 0.00 34.50 29.96 1suh s PRO 47 CO 0.35 -0.96 0.92 0.54 0.04 0.00 0.00 177.00 177.90 1suh s VAL 48 N 4.31 4.26 -0.25 -0.36 0.11 -0.81 -1.81 120.40 125.85 1suh s VAL 48 Ca 0.70 1.74 -0.06 0.00 -2.93 0.00 0.00 61.98 61.44 1suh s VAL 48 Cb -0.29 -3.96 0.01 0.00 -1.53 0.00 0.00 36.38 30.60 1suh s VAL 48 CO 0.27 0.11 0.30 0.61 -3.33 0.00 0.00 175.10 173.07 1suh n GLY 49 N 0.48 -0.93 0.24 6.54 0.00 -0.63 -4.91 105.19 105.98 1suh n GLY 49 Ca 0.02 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.68 0.00 -5.12 1.61 0.31 0.17 -4.71 118.33 109.91 1suh n VAL 50 Ca 0.04 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.07 1suh n VAL 50 Cb 0.30 -0.04 -0.16 0.00 -0.91 0.00 0.00 33.84 33.03 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 -1.12 2.23 0.03 3.52 0.08 0.14 -0.46 117.98 122.40 1suh s PHE 51 Ca 0.00 -0.70 -0.01 0.00 0.12 0.00 0.00 56.93 56.34 1suh s PHE 51 Cb 0.00 -1.48 -0.03 0.00 -0.57 0.00 0.00 43.02 40.95 1suh s PHE 51 CO 0.00 -0.23 -0.01 0.96 -0.10 0.00 0.00 175.22 175.84 1suh s ILE 52 N -0.02 0.15 0.01 0.64 -0.00 -0.18 -4.51 121.20 117.30 1suh s ILE 52 Ca -0.06 -1.23 -0.01 0.00 -0.00 0.00 0.00 60.65 59.35 1suh s ILE 52 Cb -0.14 -0.76 -0.02 0.00 -0.00 0.00 0.00 42.46 41.54 1suh s ILE 52 CO 0.04 -0.68 -0.01 -0.51 -0.00 0.00 0.00 174.94 173.79 1suh s ILE 53 N -2.42 0.09 -0.80 8.37 2.07 -1.26 -1.06 121.20 126.19 1suh s ILE 53 Ca -0.07 -0.77 -0.25 0.00 -1.41 0.00 0.00 60.65 58.15 1suh s ILE 53 Cb -0.03 -0.25 0.04 0.00 0.13 0.00 0.00 42.46 42.36 1suh s ILE 53 CO -0.04 -0.42 1.27 -1.61 -1.91 0.00 0.00 174.94 172.23 1suh s GLU 54 N -1.26 3.29 0.38 3.50 0.41 -0.57 -4.82 118.70 119.62 1suh s GLU 54 Ca -0.14 -0.57 0.06 0.00 -0.41 0.00 0.00 54.97 53.91 1suh s GLU 54 Cb -0.08 -4.48 0.32 0.00 -1.78 0.00 0.00 34.13 28.10 1suh s GLU 54 CO -0.01 -2.11 1.02 0.07 -0.49 0.00 0.00 175.26 173.74 1suh h ARG 55 N 9.87 0.00 0.00 1.61 0.11 -1.91 1.07 114.38 125.13 1suh h ARG 55 Ca -0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.93 1suh h ARG 55 Cb 1.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.12 1suh h ARG 55 CO 1.30 0.00 -0.12 0.39 0.10 0.00 0.00 179.97 181.64 1suh n GLU 56 N -1.99 0.10 -0.03 0.08 1.02 -1.26 -0.79 120.64 117.77 1suh n GLU 56 Ca -0.00 0.29 0.06 0.00 -0.02 0.00 0.00 57.16 57.48 1suh n GLU 56 Cb 0.62 -0.93 0.31 0.00 -0.02 0.00 0.00 31.44 31.41 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 -2.77 0.08 -1.23 2.62 -2.24 -0.85 -4.85 114.28 105.05 1suh n THR 57 Ca -0.02 -0.10 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 1suh n THR 57 Cb 0.06 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.77 0.97 3.65 3.38 0.00 0.36 -4.68 105.19 109.65 1suh n GLY 58 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.80 2.39 -0.26 1.61 0.52 -1.24 -0.10 118.94 120.05 1suh s TRP 59 Ca 0.00 0.61 -0.16 0.00 0.02 0.00 0.00 56.10 56.57 1suh s TRP 59 Cb 0.00 -3.76 -0.03 0.00 -1.15 0.00 0.00 33.47 28.53 1suh s TRP 59 CO 0.00 -2.73 0.44 -1.17 0.02 0.00 0.00 176.95 173.51 1suh s LEU 60 N 4.01 4.05 0.13 2.99 0.20 0.81 -1.52 118.68 129.35 1suh s LEU 60 Ca 0.65 0.41 0.04 0.00 0.69 0.00 0.00 54.13 55.92 1suh s LEU 60 Cb -0.26 -2.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.91 1suh s LEU 60 CO 0.23 -0.23 -0.11 -1.59 -0.29 0.00 0.00 176.35 174.36 1suh s LYS 61 N 2.15 0.99 0.11 1.98 -2.85 -0.22 -1.12 119.74 120.78 1suh s LYS 61 Ca 0.18 -1.32 0.08 0.00 -1.00 0.00 0.00 55.97 53.91 1suh s LYS 61 Cb -0.16 -0.64 -0.04 0.00 -2.06 0.00 0.00 37.83 34.93 1suh s LYS 61 CO 0.09 0.09 -0.20 0.14 0.10 0.00 0.00 175.35 175.58 1suh s VAL 62 N -2.84 1.68 -0.04 1.79 -7.23 -0.43 -1.01 120.40 112.32 1suh s VAL 62 Ca 0.12 -1.58 0.18 0.00 -1.81 0.00 0.00 61.98 58.89 1suh s VAL 62 Cb -0.00 -1.56 -0.27 0.00 0.56 0.00 0.00 36.38 35.11 1suh s VAL 62 CO 0.01 -0.11 0.35 0.35 -0.31 0.00 0.00 175.10 175.39 1suh n THR 63 N 1.00 0.15 -4.59 5.32 -2.24 0.39 -1.11 114.28 113.20 1suh n THR 63 Ca -0.19 -0.45 -0.26 0.00 -2.27 0.00 0.00 64.05 60.88 1suh n THR 63 Cb 0.54 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.61 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 -3.13 1.94 1.16 -0.78 -0.21 -1.19 -4.88 119.66 112.57 1suh s GLN 64 Ca -0.07 -0.48 -0.13 0.00 0.02 0.00 0.00 55.36 54.70 1suh s GLN 64 Cb 0.11 -1.61 0.28 0.00 1.00 0.00 0.00 33.01 32.79 1suh s GLN 64 CO 0.73 0.01 1.03 -1.25 -2.12 0.00 0.00 175.29 173.70 1suh s PRO 65 N 0.75 -0.87 0.45 2.91 0.04 -1.26 -4.89 135.00 132.13 1suh s PRO 65 Ca -0.12 0.72 0.07 0.00 0.04 0.00 0.00 61.00 61.70 1suh s PRO 65 Cb -0.16 -1.57 0.02 0.00 0.04 0.00 0.00 34.50 32.83 1suh s PRO 65 CO 0.03 -3.66 0.61 -0.51 0.04 0.00 0.00 177.00 173.51 1suh s LEU 66 N -7.14 3.58 -0.26 -3.56 1.43 -1.19 -4.88 118.68 106.66 1suh s LEU 66 Ca 0.68 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 53.39 1suh s LEU 66 Cb -0.24 -2.68 0.09 0.00 0.03 0.00 0.00 46.19 43.39 1suh s LEU 66 CO 0.64 -0.85 0.12 -0.62 0.23 0.00 0.00 176.35 175.87 1suh s ASP 67 N -4.37 3.22 0.43 2.29 2.15 -1.26 -1.68 116.67 117.44 1suh s ASP 67 Ca 0.56 -1.11 0.20 0.00 0.43 0.00 0.00 52.55 52.63 1suh s ASP 67 Cb -0.10 -0.33 1.15 0.00 -0.30 0.00 0.00 42.92 43.33 1suh s ASP 67 CO 0.34 -0.41 1.82 0.03 -0.17 0.00 0.00 175.17 176.78 1suh h ARG 68 N 8.40 0.34 -0.57 4.34 3.08 -1.96 0.44 114.38 128.45 1suh h ARG 68 Ca -0.18 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 59.92 1suh h ARG 68 Cb 1.05 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 1suh h ARG 68 CO 0.40 0.23 0.38 0.93 -1.07 0.00 0.00 179.97 180.84 1suh h GLU 69 N 0.35 0.44 0.00 0.04 5.08 -2.02 -3.18 114.58 115.30 1suh h GLU 69 Ca 0.53 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 58.58 1suh h GLU 69 Cb 1.42 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 1suh h GLU 69 CO -0.20 0.29 -1.70 0.00 -1.00 0.00 0.00 179.01 176.40 1suh n ALA 70 N -2.51 0.93 -3.71 3.43 0.00 0.12 -4.98 120.51 113.81 1suh n ALA 70 Ca 0.09 -0.77 -0.13 0.00 0.00 0.00 0.00 53.44 52.62 1suh n ALA 70 Cb 0.31 -0.16 -0.14 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.46 -0.16 -2.69 0.00 1.01 0.53 -5.00 121.20 112.43 1suh s ILE 71 Ca -0.32 0.21 0.25 0.00 0.00 0.00 0.00 60.65 60.80 1suh s ILE 71 Cb 0.09 -0.36 0.30 0.00 0.01 0.00 0.00 42.46 42.50 1suh s ILE 71 CO 0.50 0.09 1.43 0.00 0.00 0.00 0.00 174.94 176.95 1suh n ALA 72 N 4.63 2.62 -3.58 9.38 0.00 -1.26 -3.74 120.51 128.57 1suh n ALA 72 Ca -0.18 -0.59 -0.03 0.00 0.00 0.00 0.00 53.44 52.64 1suh n ALA 72 Cb 0.52 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.06 0.50 -0.04 0.00 2.20 -1.26 -0.79 119.74 118.28 1suh s LYS 73 Ca 0.30 1.26 -0.05 0.00 -0.36 0.00 0.00 55.97 57.12 1suh s LYS 73 Cb 0.20 0.64 -0.04 0.00 -1.51 0.00 0.00 37.83 37.12 1suh s LYS 73 CO 0.35 -0.29 0.18 0.71 -0.36 0.00 0.00 175.35 175.94 1suh s TYR 74 N 2.81 3.57 -0.11 4.03 1.51 0.11 -4.93 117.35 124.34 1suh s TYR 74 Ca -0.01 0.44 0.01 0.00 -1.01 0.00 0.00 57.07 56.51 1suh s TYR 74 Cb -0.13 -1.88 0.02 0.00 -0.11 0.00 0.00 41.96 39.86 1suh s TYR 74 CO -0.18 0.68 -0.13 0.42 -1.11 0.00 0.00 175.55 175.23 1suh s ILE 75 N -1.22 1.37 0.19 2.71 1.01 -1.26 -0.26 121.20 123.73 1suh s ILE 75 Ca 0.23 -0.55 0.10 0.00 0.00 0.00 0.00 60.65 60.43 1suh s ILE 75 Cb -0.12 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1suh s ILE 75 CO 0.14 0.42 -0.21 -0.76 0.00 0.00 0.00 174.94 174.52 1suh s LEU 76 N 1.14 2.45 -0.22 2.97 1.43 -0.30 -4.27 118.68 121.88 1suh s LEU 76 Ca -0.04 -0.88 -0.08 0.00 -1.03 0.00 0.00 54.13 52.10 1suh s LEU 76 Cb -0.14 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 1suh s LEU 76 CO -0.03 0.04 0.08 -0.31 0.23 0.00 0.00 176.35 176.36 1suh s TYR 77 N -1.91 3.17 0.20 0.29 1.51 -0.23 0.35 117.35 120.73 1suh s TYR 77 Ca 0.19 -0.13 0.08 0.00 -1.01 0.00 0.00 57.07 56.20 1suh s TYR 77 Cb -0.07 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 1suh s TYR 77 CO 0.09 -0.10 0.03 -1.54 -1.11 0.00 0.00 175.55 172.91 1suh s SER 78 N 1.07 4.85 0.09 2.29 1.04 0.36 -0.64 113.70 122.77 1suh s SER 78 Ca 0.05 -0.41 0.06 0.00 0.48 0.00 0.00 55.95 56.13 1suh s SER 78 Cb -0.14 -1.05 -0.03 0.00 0.10 0.00 0.00 66.02 64.90 1suh s SER 78 CO 0.03 0.06 -0.17 -1.00 0.98 0.00 0.00 173.24 173.14 1suh s HIS 79 N -1.89 1.46 0.01 5.02 3.76 0.36 -3.13 115.29 120.88 1suh s HIS 79 Ca 0.29 -0.46 0.06 0.00 -0.15 0.00 0.00 55.06 54.81 1suh s HIS 79 Cb -0.09 -0.80 -0.02 0.00 1.11 0.00 0.00 32.58 32.78 1suh s HIS 79 CO 0.20 0.13 -0.19 0.00 -0.85 0.00 0.00 174.74 174.02 1suh s ALA 80 N -1.37 1.61 -0.02 -1.40 0.00 -1.26 -1.20 121.76 118.14 1suh s ALA 80 Ca 0.03 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.12 1suh s ALA 80 Cb -0.09 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 1suh s ALA 80 CO 0.03 0.38 -0.10 0.14 0.00 0.00 0.00 175.76 176.21 1suh s VAL 81 N -0.57 0.82 -0.05 0.00 -7.23 -0.28 0.27 120.40 113.37 1suh s VAL 81 Ca 0.07 -0.42 -0.30 0.00 -1.81 0.00 0.00 61.98 59.53 1suh s VAL 81 Cb -0.08 -0.71 -0.03 0.00 0.56 0.00 0.00 36.38 36.13 1suh s VAL 81 CO 0.00 0.24 1.05 -0.94 -0.31 0.00 0.00 175.10 175.14 1suh s SER 82 N -0.05 7.24 0.00 4.85 1.04 0.05 0.45 113.70 127.28 1suh s SER 82 Ca 0.01 1.67 0.00 0.00 0.48 0.00 0.00 55.95 58.11 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 0.00 -0.41 0.33 -0.24 0.98 0.00 0.00 173.24 173.90 1suh n SER 83 N 4.56 0.00 -0.01 7.02 2.88 -0.28 -0.46 113.62 127.33 1suh n SER 83 Ca 0.08 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.52 1suh n SER 83 Cb 0.49 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.81 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 0.05 0.00 -3.46 7.08 -1.89 -3.48 115.58 113.88 1suh h ASN 84 Ca 0.00 -0.10 0.00 0.00 -3.08 0.00 0.00 56.30 53.12 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 1.09 0.00 0.61 -2.08 0.00 0.00 177.43 177.05 1suh n GLY 85 N 1.58 1.29 2.96 9.14 0.00 0.39 -5.14 105.19 115.42 1suh n GLY 85 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 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 1.40 -0.28 1.61 0.41 -1.22 -5.00 118.70 115.62 1suh s GLU 86 Ca 0.00 -0.29 -0.29 0.00 -0.41 0.00 0.00 54.97 53.99 1suh s GLU 86 Cb 0.00 -1.27 -0.02 0.00 -1.78 0.00 0.00 34.13 31.06 1suh s GLU 86 CO 0.00 -0.06 1.63 0.00 -0.49 0.00 0.00 175.26 176.34 1suh s ALA 87 N 0.95 3.12 -0.24 5.21 0.00 -1.26 -0.77 121.76 128.77 1suh s ALA 87 Ca -0.10 0.31 0.10 0.00 0.00 0.00 0.00 51.96 52.27 1suh s ALA 87 Cb -0.15 -3.91 0.46 0.00 0.00 0.00 0.00 23.12 19.52 1suh s ALA 87 CO 0.00 -2.21 1.32 1.33 0.00 0.00 0.00 175.76 176.21 1suh n VAL 88 N 6.81 2.35 -2.80 0.00 0.24 -0.55 -4.90 118.33 119.49 1suh n VAL 88 Ca 0.20 -3.03 -0.35 0.00 -2.04 0.00 0.00 64.34 59.12 1suh n VAL 88 Cb 0.46 -0.27 -0.07 0.00 -1.47 0.00 0.00 33.84 32.49 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 -3.24 4.42 -0.00 7.34 4.04 0.77 -4.37 118.70 127.65 1suh s GLU 89 Ca 0.41 1.23 -0.02 0.00 0.04 0.00 0.00 54.97 56.63 1suh s GLU 89 Cb 0.38 -2.52 -0.00 0.00 0.02 0.00 0.00 34.13 32.02 1suh s GLU 89 CO -0.04 0.14 0.04 -0.51 -1.84 0.00 0.00 175.26 173.05 1suh s ASP 90 N -1.87 0.05 -0.86 0.83 1.01 -1.26 -4.76 116.67 109.81 1suh s ASP 90 Ca 0.56 -0.14 -0.20 0.00 0.71 0.00 0.00 52.55 53.47 1suh s ASP 90 Cb -0.14 0.13 -0.21 0.00 1.01 0.00 0.00 42.92 43.71 1suh s ASP 90 CO 0.19 -0.17 2.32 -2.65 0.21 0.00 0.00 175.17 175.07 1suh n PRO 91 N 2.30 0.37 -3.81 8.23 -0.01 -1.26 -4.62 135.00 136.19 1suh n PRO 91 Ca -0.18 -0.57 -0.36 0.00 -0.01 0.00 0.00 63.50 62.38 1suh n PRO 91 Cb 0.57 -2.79 -0.13 0.00 -0.01 0.00 0.00 33.50 31.15 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 8.27 3.49 -0.37 -0.52 -1.94 -1.18 -4.99 119.30 122.06 1suh s MET 92 Ca 1.06 -0.57 -0.18 0.00 -1.71 0.00 0.00 55.69 54.28 1suh s MET 92 Cb -0.37 -3.22 0.00 0.00 2.01 0.00 0.00 34.83 33.25 1suh s MET 92 CO 0.25 -0.22 0.52 -1.21 -0.01 0.00 0.00 175.02 174.34 1suh s GLU 93 N 1.55 3.50 -0.16 2.03 2.02 -1.26 -0.48 118.70 125.89 1suh s GLU 93 Ca 0.06 -0.28 -0.21 0.00 0.02 0.00 0.00 54.97 54.56 1suh s GLU 93 Cb -0.15 -3.85 -0.03 0.00 0.10 0.00 0.00 34.13 30.20 1suh s GLU 93 CO 0.01 -0.72 0.62 0.42 0.02 0.00 0.00 175.26 175.61 1suh s ILE 94 N 2.41 5.05 -0.23 -1.63 1.01 0.16 -4.91 121.20 123.06 1suh s ILE 94 Ca 0.18 1.20 -0.10 0.00 0.00 0.00 0.00 60.65 61.93 1suh s ILE 94 Cb -0.15 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 1suh s ILE 94 CO 0.14 0.16 0.13 -0.69 0.00 0.00 0.00 174.94 174.69 1suh s VAL 95 N 1.55 5.20 -0.22 2.92 1.01 -1.15 -1.15 120.40 128.57 1suh s VAL 95 Ca 0.30 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1suh s VAL 95 Cb -0.16 -3.41 0.05 0.00 0.00 0.00 0.00 36.38 32.86 1suh s VAL 95 CO 0.12 0.37 -0.10 -0.63 0.00 0.00 0.00 175.10 174.86 1suh s ILE 96 N 0.90 1.75 0.18 2.22 1.01 0.64 0.94 121.20 128.84 1suh s ILE 96 Ca 0.07 -1.19 -0.15 0.00 0.00 0.00 0.00 60.65 59.38 1suh s ILE 96 Cb -0.13 -1.86 -0.07 0.00 0.01 0.00 0.00 42.46 40.41 1suh s ILE 96 CO 0.03 0.08 0.59 0.28 0.00 0.00 0.00 174.94 175.92 1suh s THR 97 N 1.33 4.81 -0.08 2.92 -1.32 0.28 0.08 115.64 123.65 1suh s THR 97 Ca -0.04 0.87 -0.07 0.00 -1.21 0.00 0.00 61.69 61.25 1suh s THR 97 Cb -0.17 -3.73 -0.04 0.00 -1.51 0.00 0.00 72.50 67.04 1suh s THR 97 CO -0.07 0.18 0.19 -0.69 -2.21 0.00 0.00 174.62 172.01 1suh s VAL 98 N -1.55 5.43 -0.18 5.08 1.01 0.03 -0.72 120.40 129.51 1suh s VAL 98 Ca 0.41 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.54 1suh s VAL 98 Cb -0.15 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1suh s VAL 98 CO 0.20 0.54 -0.01 0.42 0.00 0.00 0.00 175.10 176.24 1suh s THR 99 N -1.12 3.96 1.00 3.92 -4.23 -1.07 -4.91 115.64 113.20 1suh s THR 99 Ca 0.19 -0.32 -0.12 0.00 -1.18 0.00 0.00 61.69 60.26 1suh s THR 99 Cb -0.13 -2.77 0.15 0.00 1.34 0.00 0.00 72.50 71.10 1suh s THR 99 CO 0.09 0.45 0.86 -0.90 -0.54 0.00 0.00 174.62 174.58 1suh n ASP 100 N 3.96 -0.87 0.00 3.99 5.75 -1.26 -3.31 116.55 124.81 1suh n ASP 100 Ca -0.17 0.23 0.00 0.00 -0.01 0.00 0.00 54.79 54.84 1suh n ASP 100 Cb 0.52 -1.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.28 1suh n ASP 100 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1suh n GLN 101 N -3.67 0.07 0.00 0.11 7.27 -1.26 -4.83 117.38 115.07 1suh n GLN 101 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.15 1suh n GLN 101 Cb 0.54 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.19 1suh n GLN 101 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1suh n ASN 102 N 0.00 0.00 -4.61 1.69 4.13 -1.26 -5.06 115.26 110.15 1suh n ASN 102 Ca 0.00 0.00 -0.60 0.00 1.68 0.00 0.00 54.58 55.66 1suh n ASN 102 Cb 0.00 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.15 1suh n ASN 102 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1suh n ASP 103 N -0.49 1.77 -0.42 6.41 8.00 -1.26 -5.11 116.55 125.45 1suh n ASP 103 Ca 0.00 0.95 0.14 0.00 0.71 0.00 0.00 54.79 56.59 1suh n ASP 103 Cb 0.00 -1.05 0.58 0.00 -0.02 0.00 0.00 41.12 40.63 1suh n ASP 103 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40