#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 2.52 -0.42 1.24 0.52 -1.26 -4.79 118.94 116.74 1suh s TRP 2 Ca 0.00 -0.86 0.07 0.00 0.02 0.00 0.00 56.10 55.33 1suh s TRP 2 Cb 0.00 -4.67 0.18 0.00 -1.15 0.00 0.00 33.47 27.83 1suh s TRP 2 CO 0.00 -1.91 0.67 0.14 0.02 0.00 0.00 176.95 175.87 1suh s VAL 3 N 5.16 -0.95 -0.36 4.03 -7.23 -1.26 -3.90 120.40 115.87 1suh s VAL 3 Ca 0.48 -0.18 0.06 0.00 -1.81 0.00 0.00 61.98 60.53 1suh s VAL 3 Cb 0.00 0.00 0.19 0.00 0.56 0.00 0.00 36.38 37.13 1suh s VAL 3 CO -0.07 0.00 0.65 -0.51 -0.31 0.00 0.00 175.10 174.86 1suh s ILE 4 N 1.67 -0.93 0.17 -0.62 -1.16 -1.26 -5.04 121.20 114.03 1suh s ILE 4 Ca 0.18 0.00 -0.13 0.00 -0.51 0.00 0.00 60.65 60.19 1suh s ILE 4 Cb -0.03 -0.32 0.08 0.00 0.61 0.00 0.00 42.46 42.80 1suh s ILE 4 CO -0.07 0.00 1.81 -0.65 -2.81 0.00 0.00 174.94 173.22 1suh h PRO 5 N 7.23 0.77 -6.84 3.50 0.11 -1.94 -3.44 132.00 131.39 1suh h PRO 5 Ca 0.02 -0.07 -0.53 0.00 0.11 0.00 0.00 66.00 65.53 1suh h PRO 5 Cb 1.19 -0.16 0.09 0.00 0.11 0.00 0.00 31.00 32.23 1suh h PRO 5 CO 0.10 0.56 0.87 -2.14 -0.21 0.00 0.00 178.00 177.18 1suh s PRO 6 N -5.96 4.11 0.21 1.05 0.02 -1.26 -1.75 135.00 131.42 1suh s PRO 6 Ca -0.13 2.59 -0.02 0.00 0.02 0.00 0.00 61.00 63.46 1suh s PRO 6 Cb 0.13 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.60 1suh s PRO 6 CO 0.76 -0.62 0.18 0.42 -0.33 0.00 0.00 177.00 177.41 1suh s ILE 7 N -0.27 0.00 -0.00 2.83 -1.09 0.34 -4.89 121.20 118.12 1suh s ILE 7 Ca 0.61 -1.93 0.01 0.00 -2.23 0.00 0.00 60.65 57.11 1suh s ILE 7 Cb -0.48 -2.47 -0.00 0.00 -1.58 0.00 0.00 42.46 37.93 1suh s ILE 7 CO 0.52 0.00 -0.04 -0.55 -1.23 0.00 0.00 174.94 173.64 1suh s SER 8 N -3.15 0.43 -0.11 3.58 0.15 -1.26 -0.54 113.70 112.79 1suh s SER 8 Ca 0.37 -0.09 -0.03 0.00 0.70 0.00 0.00 55.95 56.90 1suh s SER 8 Cb 0.06 -0.04 0.05 0.00 -1.71 0.00 0.00 66.02 64.38 1suh s SER 8 CO 0.12 0.03 0.09 0.00 1.20 0.00 0.00 173.24 174.68 1suh s PRO 10 N 2.18 -0.10 0.42 0.00 0.05 -1.26 -3.40 135.00 132.87 1suh s PRO 10 Ca 0.04 0.95 0.07 0.00 0.05 0.00 0.00 61.00 62.11 1suh s PRO 10 Cb -0.14 -1.64 -0.04 0.00 0.05 0.00 0.00 34.50 32.73 1suh s PRO 10 CO -0.06 -3.21 0.26 -1.83 0.05 0.00 0.00 177.00 172.21 1suh s GLU 11 N -4.61 2.35 -0.84 4.56 -1.05 -1.24 -3.16 118.70 114.70 1suh s GLU 11 Ca 0.67 -1.73 0.00 0.00 -0.15 0.00 0.00 54.97 53.76 1suh s GLU 11 Cb -0.23 -2.14 0.00 0.00 -0.44 0.00 0.00 34.13 31.32 1suh s GLU 11 CO 0.61 -0.16 0.00 0.09 0.95 0.00 0.00 175.26 176.76 1suh n ASN 12 N -1.37 -3.07 -4.55 0.83 3.02 -0.48 -4.74 115.26 104.90 1suh n ASN 12 Ca 0.01 0.20 -0.51 0.00 -0.03 0.00 0.00 54.58 54.25 1suh n ASN 12 Cb 0.63 -2.64 -0.05 0.00 -0.61 0.00 0.00 39.78 37.12 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 -1.06 0.87 -4.21 3.52 1.02 -1.26 -4.96 120.64 114.57 1suh n GLU 13 Ca -0.08 0.31 -0.12 0.00 -0.02 0.00 0.00 57.16 57.25 1suh n GLU 13 Cb 0.34 -1.78 -0.10 0.00 -0.02 0.00 0.00 31.44 29.88 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 -0.27 0.96 0.00 3.49 -2.85 -1.26 -4.67 119.74 115.14 1suh s LYS 14 Ca 0.76 -1.42 0.00 0.00 -1.00 0.00 0.00 55.97 54.31 1suh s LYS 14 Cb -0.94 -0.27 0.00 0.00 -2.06 0.00 0.00 37.83 34.56 1suh s LYS 14 CO 0.53 -0.05 0.00 0.41 0.10 0.00 0.00 175.35 176.33 1suh n GLY 15 N -0.14 0.81 2.92 0.59 0.00 -1.26 -5.03 105.19 103.08 1suh n GLY 15 Ca -0.10 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 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 1.61 0.18 1.61 2.02 -1.26 -5.13 118.70 117.74 1suh s GLU 16 Ca 0.00 -0.53 -0.10 0.00 0.02 0.00 0.00 54.97 54.36 1suh s GLU 16 Cb 0.00 -2.01 -0.07 0.00 0.10 0.00 0.00 34.13 32.16 1suh s GLU 16 CO 0.00 -0.39 0.51 -0.06 0.02 0.00 0.00 175.26 175.34 1suh s PHE 17 N 1.60 3.50 0.94 1.61 0.08 -1.26 -3.82 117.98 120.62 1suh s PHE 17 Ca 0.01 0.87 -0.12 0.00 0.12 0.00 0.00 56.93 57.82 1suh s PHE 17 Cb -0.15 -2.25 0.15 0.00 -0.57 0.00 0.00 43.02 40.21 1suh s PHE 17 CO -0.08 0.36 1.11 -1.25 -0.10 0.00 0.00 175.22 175.26 1suh s PRO 18 N -2.46 0.90 -0.01 0.24 0.04 -1.26 -5.12 135.00 127.33 1suh s PRO 18 Ca 0.42 0.47 0.02 0.00 0.04 0.00 0.00 61.00 61.95 1suh s PRO 18 Cb -0.13 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1suh s PRO 18 CO 0.21 -2.40 -0.06 0.21 0.04 0.00 0.00 177.00 175.00 1suh s LYS 19 N -5.10 0.58 0.72 4.56 2.47 -0.30 -4.96 119.74 117.72 1suh s LYS 19 Ca 0.64 -0.20 -0.11 0.00 -1.56 0.00 0.00 55.97 54.74 1suh s LYS 19 Cb -0.17 -0.57 0.03 0.00 -1.46 0.00 0.00 37.83 35.66 1suh s LYS 19 CO 0.56 0.09 1.07 -0.80 0.16 0.00 0.00 175.35 176.43 1suh s ASN 20 N 0.09 5.13 0.22 1.43 0.02 -1.26 -0.66 114.94 119.90 1suh s ASN 20 Ca -0.01 1.52 0.00 0.00 -1.02 0.00 0.00 52.86 53.35 1suh s ASN 20 Cb -0.05 -2.36 0.00 0.00 0.02 0.00 0.00 41.25 38.86 1suh s ASN 20 CO -0.00 -1.59 0.00 0.18 0.02 0.00 0.00 177.10 175.71 1suh n LEU 21 N -3.21 -0.09 -3.64 0.60 4.77 0.48 -4.84 117.00 111.06 1suh n LEU 21 Ca 0.07 0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 56.29 1suh n LEU 21 Cb 0.54 0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.87 1suh n LEU 21 CO 0.56 -0.72 0.19 0.54 -1.33 0.00 0.00 177.39 176.63 1suh s VAL 22 N -2.00 0.05 0.48 4.08 0.11 -1.05 -5.00 120.40 117.06 1suh s VAL 22 Ca 0.00 -0.39 -0.17 0.00 -2.93 0.00 0.00 61.98 58.49 1suh s VAL 22 Cb 0.00 -0.94 -0.08 0.00 -1.53 0.00 0.00 36.38 33.83 1suh s VAL 22 CO 0.00 -0.21 0.95 -1.58 -3.33 0.00 0.00 175.10 170.92 1suh s GLN 23 N -2.37 3.98 0.46 1.54 0.74 -1.26 0.50 119.66 123.26 1suh s GLN 23 Ca -0.06 0.92 -0.00 0.00 0.05 0.00 0.00 55.36 56.27 1suh s GLN 23 Cb -0.01 -2.18 -0.00 0.00 1.10 0.00 0.00 33.01 31.92 1suh s GLN 23 CO -0.01 -0.19 0.69 0.42 -0.55 0.00 0.00 175.29 175.65 1suh s ILE 24 N -2.49 3.96 -0.05 -2.34 -1.09 0.89 -4.77 121.20 115.31 1suh s ILE 24 Ca 0.58 -0.45 -0.02 0.00 -2.23 0.00 0.00 60.65 58.54 1suh s ILE 24 Cb -0.10 -3.47 0.03 0.00 -1.58 0.00 0.00 42.46 37.35 1suh s ILE 24 CO 0.27 -0.35 0.08 -0.54 -1.23 0.00 0.00 174.94 173.18 1suh s LYS 25 N -4.60 -0.01 0.00 2.79 1.02 -1.26 -4.94 119.74 112.74 1suh s LYS 25 Ca 0.49 0.34 0.00 0.00 0.02 0.00 0.00 55.97 56.82 1suh s LYS 25 Cb -0.10 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 36.90 1suh s LYS 25 CO 0.39 -0.24 0.00 0.45 -0.92 0.00 0.00 175.35 175.03 1suh n SER 26 N 4.70 0.00 0.01 2.83 2.88 -1.26 -4.74 113.62 118.05 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 0.50 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 -0.27 0.00 -3.46 5.15 -1.25 -4.25 115.26 111.18 1suh n ASN 27 Ca 0.00 0.12 0.04 0.00 -0.60 0.00 0.00 54.58 54.14 1suh n ASN 27 Cb 0.00 0.44 0.22 0.00 -0.53 0.00 0.00 39.78 39.92 1suh n ASN 27 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1suh n ARG 28 N -2.35 0.46 0.00 1.20 5.12 -1.26 -3.58 116.66 116.26 1suh n ARG 28 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1suh n ARG 28 Cb 0.00 -1.25 0.00 0.00 -1.16 0.00 0.00 32.46 30.05 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 -0.75 0.13 -0.01 0.55 5.75 -1.26 -1.51 116.55 119.43 1suh n ASP 29 Ca 0.06 -0.41 0.08 0.00 -0.01 0.00 0.00 54.79 54.50 1suh n ASP 29 Cb 0.03 -0.06 -0.14 0.00 -1.03 0.00 0.00 41.12 39.91 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 0.05 0.61 -0.06 0.11 5.02 -1.23 -4.57 118.16 118.09 1suh n LYS 30 Ca 0.00 -0.16 -0.20 0.00 -2.02 0.00 0.00 58.31 55.93 1suh n LYS 30 Cb 0.03 -1.45 -0.13 0.00 -0.02 0.00 0.00 35.03 33.47 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 -2.19 0.70 -3.52 1.97 0.28 -0.57 -5.02 120.64 112.30 1suh n GLU 31 Ca -0.05 0.22 -0.17 0.00 -0.16 0.00 0.00 57.16 57.00 1suh n GLU 31 Cb 0.53 -1.62 -0.05 0.00 1.43 0.00 0.00 31.44 31.72 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 -2.54 0.00 -0.32 3.84 -1.32 -1.25 -5.09 115.64 108.97 1suh s THR 32 Ca -0.28 -0.03 -0.37 0.00 -1.21 0.00 0.00 61.69 59.79 1suh s THR 32 Cb 0.08 -0.99 -0.13 0.00 -1.51 0.00 0.00 72.50 69.95 1suh s THR 32 CO 0.69 -0.02 2.02 1.17 -2.21 0.00 0.00 174.62 176.27 1suh n LYS 33 N 0.68 1.10 -3.85 7.08 4.81 -1.26 -4.57 118.16 122.15 1suh n LYS 33 Ca -0.19 0.35 -0.37 0.00 -0.87 0.00 0.00 58.31 57.23 1suh n LYS 33 Cb 0.58 -2.28 -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 5.76 5.46 0.17 3.15 0.11 -1.26 -0.28 120.40 133.52 1suh s VAL 34 Ca 1.06 0.25 0.01 0.00 -2.93 0.00 0.00 61.98 60.37 1suh s VAL 34 Cb -0.97 -3.43 -0.04 0.00 -1.53 0.00 0.00 36.38 30.41 1suh s VAL 34 CO 0.56 0.60 0.33 -0.36 -3.33 0.00 0.00 175.10 172.90 1suh s PHE 35 N -1.05 3.48 0.47 1.54 0.40 0.99 -4.77 117.98 119.04 1suh s PHE 35 Ca 0.16 0.21 0.08 0.00 -0.60 0.00 0.00 56.93 56.78 1suh s PHE 35 Cb -0.12 -1.75 0.02 0.00 0.51 0.00 0.00 43.02 41.68 1suh s PHE 35 CO 0.06 0.45 0.52 0.71 0.70 0.00 0.00 175.22 177.66 1suh s TYR 36 N -1.80 2.30 -0.28 0.36 2.02 0.03 -1.22 117.35 118.76 1suh s TYR 36 Ca 0.36 -0.57 -0.14 0.00 -0.37 0.00 0.00 57.07 56.35 1suh s TYR 36 Cb -0.11 -2.20 0.09 0.00 -0.40 0.00 0.00 41.96 39.34 1suh s TYR 36 CO 0.29 -0.47 0.66 0.45 -1.57 0.00 0.00 175.55 174.91 1suh s SER 37 N -4.33 -0.97 0.10 2.29 0.15 0.21 -4.51 113.70 106.64 1suh s SER 37 Ca 0.51 1.50 0.06 0.00 0.70 0.00 0.00 55.95 58.72 1suh s SER 37 Cb -0.05 1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 65.83 1suh s SER 37 CO 0.31 -0.23 -0.04 -0.51 1.20 0.00 0.00 173.24 173.96 1suh s ILE 38 N 1.99 3.72 0.10 6.45 2.07 -1.26 -0.10 121.20 134.17 1suh s ILE 38 Ca -0.09 -1.13 -0.25 0.00 -1.41 0.00 0.00 60.65 57.77 1suh s ILE 38 Cb -0.07 -2.77 0.08 0.00 0.13 0.00 0.00 42.46 39.83 1suh s ILE 38 CO -0.19 0.11 0.66 0.28 -1.91 0.00 0.00 174.94 173.88 1suh s THR 39 N -1.29 0.00 0.00 4.00 -1.32 0.35 -4.89 115.64 112.49 1suh s THR 39 Ca 0.24 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 1suh s THR 39 Cb -0.11 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 1suh s THR 39 CO 0.16 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.18 1suh n GLY 40 N -0.12 -1.03 3.60 6.08 0.00 -1.26 -1.19 105.19 111.27 1suh n GLY 40 Ca -0.16 -2.16 -0.50 0.00 0.00 0.00 0.00 46.02 43.20 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 -0.03 1.35 0.00 1.61 7.27 -1.26 -0.84 117.38 125.48 1suh n GLN 41 Ca 0.00 0.48 0.00 0.00 0.07 0.00 0.00 57.00 57.55 1suh n GLN 41 Cb 0.00 -2.11 0.00 0.00 2.41 0.00 0.00 30.24 30.54 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 2.47 3.36 0.12 1.69 0.00 -0.57 -4.67 105.19 107.58 1suh n GLY 42 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.50 1.77 0.02 4.61 0.00 -0.02 0.19 120.51 125.58 1suh n ALA 43 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.51 1suh n ALA 43 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.29 0.33 -4.85 0.00 5.68 -0.94 -1.63 116.55 113.86 1suh n ASP 44 Ca 0.00 0.13 -0.31 0.00 -0.50 0.00 0.00 54.79 54.11 1suh n ASP 44 Cb 0.00 1.27 -0.05 0.00 -1.14 0.00 0.00 41.12 41.20 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 -3.32 3.18 0.22 0.11 1.02 -0.92 -4.80 119.74 115.23 1suh s LYS 45 Ca -0.06 -0.55 -0.32 0.00 0.02 0.00 0.00 55.97 55.07 1suh s LYS 45 Cb 0.11 -2.90 -0.14 0.00 -0.52 0.00 0.00 37.83 34.39 1suh s LYS 45 CO 0.86 0.60 1.40 -2.30 -0.92 0.00 0.00 175.35 174.98 1suh n PRO 46 N 0.44 1.93 -2.11 -1.68 -0.02 -1.26 -1.52 135.00 130.78 1suh n PRO 46 Ca -0.07 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 1suh n PRO 46 Cb 0.51 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 1suh n PRO 46 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1suh s PRO 47 N -0.25 4.24 0.30 0.52 0.04 -1.26 -4.35 135.00 134.25 1suh s PRO 47 Ca 0.70 2.10 -0.29 0.00 0.04 0.00 0.00 61.00 63.55 1suh s PRO 47 Cb -0.68 -3.62 -0.09 0.00 0.04 0.00 0.00 34.50 30.14 1suh s PRO 47 CO 0.49 -0.65 1.11 0.08 0.04 0.00 0.00 177.00 178.06 1suh s VAL 48 N 2.65 3.45 -0.32 -0.36 1.01 -1.16 -2.91 120.40 122.76 1suh s VAL 48 Ca 0.68 1.41 -0.09 0.00 0.00 0.00 0.00 61.98 63.97 1suh s VAL 48 Cb -0.34 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.18 1suh s VAL 48 CO 0.28 0.29 0.35 0.61 0.00 0.00 0.00 175.10 176.64 1suh n GLY 49 N 1.04 -1.97 1.88 4.51 0.00 -0.65 -4.94 105.19 105.06 1suh n GLY 49 Ca -0.00 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 -0.09 0.00 -4.49 1.61 0.31 0.13 -4.80 118.33 110.99 1suh n VAL 50 Ca 0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.08 1suh n VAL 50 Cb 0.27 -0.47 -0.11 0.00 -0.91 0.00 0.00 33.84 32.63 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 -1.94 2.83 -0.05 3.52 0.08 -0.22 -0.84 117.98 121.37 1suh s PHE 51 Ca 0.00 -0.08 -0.02 0.00 0.12 0.00 0.00 56.93 56.95 1suh s PHE 51 Cb 0.00 -1.58 0.03 0.00 -0.57 0.00 0.00 43.02 40.90 1suh s PHE 51 CO 0.00 0.35 0.08 0.96 -0.10 0.00 0.00 175.22 176.51 1suh s ILE 52 N -0.99 -0.13 0.09 0.64 -4.36 0.14 -4.68 121.20 111.91 1suh s ILE 52 Ca 0.17 0.41 0.04 0.00 -0.26 0.00 0.00 60.65 61.01 1suh s ILE 52 Cb -0.11 -0.17 -0.04 0.00 1.25 0.00 0.00 42.46 43.39 1suh s ILE 52 CO 0.07 0.17 0.04 0.27 0.24 0.00 0.00 174.94 175.73 1suh s ILE 53 N 2.17 4.25 -0.45 8.37 -5.25 -1.26 -0.52 121.20 128.51 1suh s ILE 53 Ca 0.04 -0.91 -0.29 0.00 -0.99 0.00 0.00 60.65 58.50 1suh s ILE 53 Cb -0.12 -3.04 0.03 0.00 2.95 0.00 0.00 42.46 42.27 1suh s ILE 53 CO -0.03 0.11 1.14 -0.70 -1.79 0.00 0.00 174.94 173.66 1suh s GLU 54 N -2.39 3.78 0.59 0.37 2.56 -0.15 -4.87 118.70 118.59 1suh s GLU 54 Ca 0.27 0.67 0.29 0.00 0.00 0.00 0.00 54.97 56.21 1suh s GLU 54 Cb -0.12 -3.88 1.58 0.00 2.00 0.00 0.00 34.13 33.71 1suh s GLU 54 CO 0.20 -1.31 2.00 -0.09 -0.56 0.00 0.00 175.26 175.51 1suh h ARG 55 N 9.10 0.00 0.00 4.30 2.43 -1.92 1.01 114.38 129.30 1suh h ARG 55 Ca -0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 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 1.11 0.00 -0.26 0.39 -1.51 0.00 0.00 179.97 179.70 1suh n GLU 56 N -3.71 0.23 0.13 0.20 1.02 -1.26 -0.79 120.64 116.46 1suh n GLU 56 Ca 0.04 0.39 0.01 0.00 -0.02 0.00 0.00 57.16 57.58 1suh n GLU 56 Cb 0.48 -1.23 0.02 0.00 -0.02 0.00 0.00 31.44 30.70 1suh n GLU 56 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1suh h THR 57 N -0.51 1.03 0.00 2.62 1.35 -1.92 -3.45 112.91 112.03 1suh h THR 57 Ca 0.00 -2.39 0.00 0.00 -0.55 0.00 0.00 66.41 63.47 1suh h THR 57 Cb 0.26 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1suh h THR 57 CO 0.00 0.58 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 1suh n GLY 58 N 1.16 0.65 3.65 5.82 0.00 0.35 -4.73 105.19 112.09 1suh n GLY 58 Ca 0.01 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 1.75 -0.28 1.61 0.52 -1.25 -0.08 118.94 119.21 1suh s TRP 59 Ca 0.00 0.15 -0.26 0.00 0.02 0.00 0.00 56.10 56.01 1suh s TRP 59 Cb 0.00 -4.01 0.00 0.00 -1.15 0.00 0.00 33.47 28.31 1suh s TRP 59 CO 0.00 -4.10 0.90 -1.17 0.02 0.00 0.00 176.95 172.61 1suh s LEU 60 N 4.84 4.06 0.21 2.99 0.20 0.18 -0.98 118.68 130.19 1suh s LEU 60 Ca 0.79 0.98 0.06 0.00 0.69 0.00 0.00 54.13 56.66 1suh s LEU 60 Cb -0.34 -3.29 -0.05 0.00 -0.43 0.00 0.00 46.19 42.09 1suh s LEU 60 CO 0.33 -0.65 -0.10 -0.54 -0.29 0.00 0.00 176.35 175.10 1suh s LYS 61 N 3.10 1.33 0.04 1.98 1.02 0.33 -0.39 119.74 127.15 1suh s LYS 61 Ca 0.38 -1.62 0.02 0.00 0.02 0.00 0.00 55.97 54.78 1suh s LYS 61 Cb -0.14 -0.97 -0.02 0.00 -0.52 0.00 0.00 37.83 36.17 1suh s LYS 61 CO 0.10 0.10 -0.08 0.14 -0.92 0.00 0.00 175.35 174.69 1suh s VAL 62 N -3.10 0.55 -0.07 3.17 -7.23 0.16 0.25 120.40 114.13 1suh s VAL 62 Ca 0.24 -1.11 0.21 0.00 -1.81 0.00 0.00 61.98 59.50 1suh s VAL 62 Cb 0.02 -0.65 -0.32 0.00 0.56 0.00 0.00 36.38 35.99 1suh s VAL 62 CO 0.07 -0.40 0.39 1.07 -0.31 0.00 0.00 175.10 175.92 1suh n THR 63 N 1.41 0.30 -4.85 5.32 5.66 -0.02 -1.15 114.28 120.95 1suh n THR 63 Ca -0.22 -0.57 -0.31 0.00 -3.05 0.00 0.00 64.05 59.90 1suh n THR 63 Cb 0.55 -0.10 -0.17 0.00 -1.55 0.00 0.00 70.33 69.07 1suh n THR 63 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1suh s GLN 64 N -3.28 2.75 0.91 1.09 -0.21 -1.20 -4.90 119.66 114.83 1suh s GLN 64 Ca -0.08 -0.77 -0.11 0.00 0.02 0.00 0.00 55.36 54.42 1suh s GLN 64 Cb 0.12 -2.18 0.14 0.00 1.00 0.00 0.00 33.01 32.10 1suh s GLN 64 CO 0.88 0.06 1.11 -1.25 -2.12 0.00 0.00 175.29 173.97 1suh s PRO 65 N 0.64 1.08 0.61 2.91 0.04 -1.26 -4.93 135.00 134.09 1suh s PRO 65 Ca -0.13 1.27 -0.01 0.00 0.04 0.00 0.00 61.00 62.17 1suh s PRO 65 Cb -0.16 -1.76 0.04 0.00 0.04 0.00 0.00 34.50 32.67 1suh s PRO 65 CO 0.03 -2.49 0.86 -0.51 0.04 0.00 0.00 177.00 174.93 1suh s LEU 66 N -6.48 3.11 -0.27 -3.56 1.43 -1.19 -4.75 118.68 106.98 1suh s LEU 66 Ca 0.65 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.88 1suh s LEU 66 Cb -0.21 -2.93 0.14 0.00 0.03 0.00 0.00 46.19 43.21 1suh s LEU 66 CO 0.58 -1.31 0.33 -0.62 0.23 0.00 0.00 176.35 175.56 1suh s ASP 67 N -4.46 0.96 0.44 2.29 2.15 -1.26 -1.38 116.67 115.41 1suh s ASP 67 Ca 0.58 -0.35 0.19 0.00 0.43 0.00 0.00 52.55 53.40 1suh s ASP 67 Cb -0.10 0.79 1.13 0.00 -0.30 0.00 0.00 42.92 44.44 1suh s ASP 67 CO 0.41 -0.35 1.89 0.03 -0.17 0.00 0.00 175.17 176.98 1suh h ARG 68 N 8.22 0.33 -0.50 4.34 3.08 -1.93 0.31 114.38 128.23 1suh h ARG 68 Ca -0.14 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 59.98 1suh h ARG 68 Cb 1.12 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.06 1suh h ARG 68 CO 0.30 0.22 0.34 0.93 -1.07 0.00 0.00 179.97 180.69 1suh h GLU 69 N 0.34 0.27 0.00 0.04 5.08 -2.02 -3.21 114.58 115.08 1suh h GLU 69 Ca 0.41 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 58.48 1suh h GLU 69 Cb 1.10 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1suh h GLU 69 CO -0.13 0.18 -1.86 0.00 -1.00 0.00 0.00 179.01 176.20 1suh n ALA 70 N -2.55 1.03 -3.46 3.43 0.00 0.75 -5.00 120.51 114.70 1suh n ALA 70 Ca 0.08 -0.93 -0.15 0.00 0.00 0.00 0.00 53.44 52.44 1suh n ALA 70 Cb 0.38 0.04 -0.15 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.61 0.06 -1.79 0.00 1.01 0.68 -5.01 121.20 113.53 1suh s ILE 71 Ca -0.34 0.10 0.23 0.00 0.00 0.00 0.00 60.65 60.64 1suh s ILE 71 Cb 0.10 -0.14 -0.00 0.00 0.01 0.00 0.00 42.46 42.43 1suh s ILE 71 CO 0.47 0.09 1.15 0.00 0.00 0.00 0.00 174.94 176.64 1suh n ALA 72 N 3.81 3.68 -3.64 9.38 0.00 -1.26 -3.40 120.51 129.09 1suh n ALA 72 Ca -0.23 -0.59 -0.06 0.00 0.00 0.00 0.00 53.44 52.56 1suh n ALA 72 Cb 0.53 -0.85 -0.07 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.58 0.69 -0.04 0.00 2.20 -1.26 -0.19 119.74 118.56 1suh s LYS 73 Ca 0.17 1.26 0.00 0.00 -0.36 0.00 0.00 55.97 57.04 1suh s LYS 73 Cb 0.18 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.70 1suh s LYS 73 CO 0.62 -0.16 -0.02 0.71 -0.36 0.00 0.00 175.35 176.14 1suh s TYR 74 N 1.79 3.06 -0.08 4.03 1.51 0.23 -4.97 117.35 122.91 1suh s TYR 74 Ca -0.10 0.10 -0.03 0.00 -1.01 0.00 0.00 57.07 56.04 1suh s TYR 74 Cb -0.06 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 1suh s TYR 74 CO -0.20 0.43 0.03 0.42 -1.11 0.00 0.00 175.55 175.12 1suh s ILE 75 N -0.95 4.54 0.05 2.71 1.01 -1.26 -0.47 121.20 126.83 1suh s ILE 75 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.62 1suh s ILE 75 Cb -0.11 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 1suh s ILE 75 CO 0.05 0.58 -0.04 -0.22 0.00 0.00 0.00 174.94 175.31 1suh s LEU 76 N -0.99 2.37 0.11 2.97 2.96 0.10 -4.24 118.68 121.96 1suh s LEU 76 Ca 0.14 -0.75 0.09 0.00 -0.22 0.00 0.00 54.13 53.39 1suh s LEU 76 Cb -0.11 0.06 -0.04 0.00 0.50 0.00 0.00 46.19 46.60 1suh s LEU 76 CO 0.04 -0.41 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.11 1suh s TYR 77 N -2.59 2.01 0.12 5.38 2.02 -0.34 0.98 117.35 124.93 1suh s TYR 77 Ca -0.03 -0.40 -0.12 0.00 -0.37 0.00 0.00 57.07 56.15 1suh s TYR 77 Cb -0.02 -1.10 0.01 0.00 -0.40 0.00 0.00 41.96 40.45 1suh s TYR 77 CO -0.04 0.25 0.31 -1.54 -1.57 0.00 0.00 175.55 172.96 1suh s SER 78 N -1.93 -0.06 0.07 2.29 1.04 0.44 -0.50 113.70 115.06 1suh s SER 78 Ca 0.10 -0.53 0.05 0.00 0.48 0.00 0.00 55.95 56.04 1suh s SER 78 Cb -0.10 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 1suh s SER 78 CO 0.05 -0.82 -0.13 -1.00 0.98 0.00 0.00 173.24 172.32 1suh s HIS 79 N -3.85 1.14 0.09 5.02 0.09 0.85 -3.03 115.29 115.60 1suh s HIS 79 Ca 0.06 -0.50 0.09 0.00 -0.00 0.00 0.00 55.06 54.71 1suh s HIS 79 Cb 0.03 -0.64 -0.03 0.00 -0.00 0.00 0.00 32.58 31.94 1suh s HIS 79 CO -0.10 0.04 -0.24 0.00 -0.00 0.00 0.00 174.74 174.45 1suh s ALA 80 N -1.49 2.04 -0.01 -1.40 0.00 -1.26 -0.62 121.76 119.02 1suh s ALA 80 Ca -0.01 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1suh s ALA 80 Cb -0.09 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1suh s ALA 80 CO 0.02 0.45 0.01 0.14 0.00 0.00 0.00 175.76 176.38 1suh s VAL 81 N -0.98 -0.00 0.03 0.00 -7.23 -0.35 0.27 120.40 112.13 1suh s VAL 81 Ca 0.10 0.06 -0.32 0.00 -1.81 0.00 0.00 61.98 60.01 1suh s VAL 81 Cb -0.10 -0.05 -0.10 0.00 0.56 0.00 0.00 36.38 36.69 1suh s VAL 81 CO 0.04 0.03 1.90 -1.54 -0.31 0.00 0.00 175.10 175.22 1suh n SER 82 N 3.43 3.91 0.00 4.85 3.41 0.37 -0.01 113.62 129.58 1suh n SER 82 Ca -0.17 0.95 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 1suh n SER 82 Cb 0.57 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 1suh n SER 82 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1suh n SER 83 N 6.69 0.00 -2.68 4.04 3.41 0.62 -0.75 113.62 124.96 1suh n SER 83 Ca 0.20 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.76 1suh n SER 83 Cb 0.37 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.36 1suh n SER 83 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1suh n ASN 84 N 0.00 -1.47 0.00 4.04 6.94 -1.26 -4.76 115.26 118.74 1suh n ASN 84 Ca 0.00 -2.02 0.00 0.00 -0.02 0.00 0.00 54.58 52.54 1suh n ASN 84 Cb 0.00 1.03 0.00 0.00 -2.36 0.00 0.00 39.78 38.45 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 -0.51 -0.46 3.77 4.83 0.00 0.07 -5.12 105.19 107.79 1suh n GLY 85 Ca -0.17 0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.02 3.57 0.15 1.61 8.01 -1.26 -4.93 118.70 125.84 1suh s GLU 86 Ca 0.00 -0.24 -0.30 0.00 0.01 0.00 0.00 54.97 54.44 1suh s GLU 86 Cb 0.00 -3.16 -0.08 0.00 -4.31 0.00 0.00 34.13 26.59 1suh s GLU 86 CO 0.00 0.60 1.23 0.00 0.01 0.00 0.00 175.26 177.10 1suh s ALA 87 N -0.53 3.46 -0.09 5.21 0.00 -1.26 -0.48 121.76 128.06 1suh s ALA 87 Ca 0.11 0.97 0.22 0.00 0.00 0.00 0.00 51.96 53.26 1suh s ALA 87 Cb -0.12 -3.44 0.44 0.00 0.00 0.00 0.00 23.12 20.00 1suh s ALA 87 CO 0.02 -0.43 1.17 1.33 0.00 0.00 0.00 175.76 177.85 1suh n VAL 88 N 2.99 0.74 -1.85 0.00 0.24 -0.84 -4.81 118.33 114.79 1suh n VAL 88 Ca 0.06 -1.88 -0.31 0.00 -2.04 0.00 0.00 64.34 60.17 1suh n VAL 88 Cb 0.44 0.71 0.03 0.00 -1.47 0.00 0.00 33.84 33.55 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 -1.39 3.29 -0.09 7.34 -1.05 0.76 -4.44 118.70 123.13 1suh s GLU 89 Ca 0.34 0.66 -0.25 0.00 -0.15 0.00 0.00 54.97 55.57 1suh s GLU 89 Cb 0.38 -2.05 0.06 0.00 -0.44 0.00 0.00 34.13 32.07 1suh s GLU 89 CO -0.12 -0.77 0.59 -0.51 0.95 0.00 0.00 175.26 175.40 1suh s ASP 90 N -4.22 -0.56 -0.82 0.83 1.01 -1.26 -4.77 116.67 106.87 1suh s ASP 90 Ca 0.56 0.72 -0.21 0.00 0.71 0.00 0.00 52.55 54.34 1suh s ASP 90 Cb -0.11 0.67 -0.19 0.00 1.01 0.00 0.00 42.92 44.30 1suh s ASP 90 CO 0.53 -0.48 2.15 -2.65 0.21 0.00 0.00 175.17 174.93 1suh n PRO 91 N 1.44 0.28 -3.83 8.23 -0.01 -1.26 -4.60 135.00 135.25 1suh n PRO 91 Ca -0.18 -0.84 -0.36 0.00 -0.01 0.00 0.00 63.50 62.11 1suh n PRO 91 Cb 0.56 -3.01 -0.12 0.00 -0.01 0.00 0.00 33.50 30.93 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 3.71 -0.31 -0.52 -1.94 -1.17 -5.01 119.30 122.15 1suh s MET 92 Ca 0.88 -0.46 -0.08 0.00 -1.71 0.00 0.00 55.69 54.32 1suh s MET 92 Cb -0.23 -3.29 0.02 0.00 2.01 0.00 0.00 34.83 33.34 1suh s MET 92 CO 0.19 -0.10 0.11 -1.83 -0.01 0.00 0.00 175.02 173.38 1suh s GLU 93 N 1.37 3.00 -0.02 2.03 4.04 -1.26 -0.42 118.70 127.44 1suh s GLU 93 Ca 0.05 -0.93 -0.20 0.00 0.04 0.00 0.00 54.97 53.94 1suh s GLU 93 Cb -0.15 -3.45 -0.05 0.00 0.02 0.00 0.00 34.13 30.50 1suh s GLU 93 CO 0.03 -0.51 0.56 0.42 -1.84 0.00 0.00 175.26 173.93 1suh s ILE 94 N 1.50 4.96 -0.36 1.83 1.01 0.28 -4.90 121.20 125.52 1suh s ILE 94 Ca 0.02 1.17 -0.11 0.00 0.00 0.00 0.00 60.65 61.74 1suh s ILE 94 Cb -0.18 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.41 1suh s ILE 94 CO 0.03 0.41 0.19 -0.69 0.00 0.00 0.00 174.94 174.89 1suh s VAL 95 N -0.12 4.59 -0.23 2.92 1.01 -0.72 -0.72 120.40 127.13 1suh s VAL 95 Ca 0.30 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 1suh s VAL 95 Cb -0.18 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1suh s VAL 95 CO 0.16 -0.15 0.07 -0.63 0.00 0.00 0.00 175.10 174.55 1suh s ILE 96 N 1.57 4.47 0.07 2.22 1.01 0.38 0.13 121.20 131.06 1suh s ILE 96 Ca 0.03 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.58 1suh s ILE 96 Cb -0.19 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1suh s ILE 96 CO 0.07 0.38 0.09 0.28 0.00 0.00 0.00 174.94 175.75 1suh s THR 97 N 1.19 4.62 0.17 2.92 -1.32 0.30 0.75 115.64 124.26 1suh s THR 97 Ca 0.05 -0.72 -0.06 0.00 -1.21 0.00 0.00 61.69 59.75 1suh s THR 97 Cb -0.14 -3.22 -0.06 0.00 -1.51 0.00 0.00 72.50 67.56 1suh s THR 97 CO 0.03 0.14 0.42 -0.69 -2.21 0.00 0.00 174.62 172.31 1suh s VAL 98 N -1.39 5.10 0.10 5.08 1.01 0.74 -0.58 120.40 130.46 1suh s VAL 98 Ca 0.30 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.51 1suh s VAL 98 Cb -0.12 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1suh s VAL 98 CO 0.22 0.01 -0.20 0.42 0.00 0.00 0.00 175.10 175.55 1suh s THR 99 N -1.70 1.64 1.15 3.92 -4.23 -1.22 -4.91 115.64 110.30 1suh s THR 99 Ca 0.43 -1.50 -0.13 0.00 -1.18 0.00 0.00 61.69 59.31 1suh s THR 99 Cb -0.12 -1.50 0.28 0.00 1.34 0.00 0.00 72.50 72.50 1suh s THR 99 CO 0.24 -0.06 1.03 -1.81 -0.54 0.00 0.00 174.62 173.48 1suh s ASP 100 N -1.84 1.10 0.38 3.99 1.01 -1.26 -3.65 116.67 116.41 1suh s ASP 100 Ca 0.06 1.42 0.00 0.00 0.71 0.00 0.00 52.55 54.74 1suh s ASP 100 Cb -0.10 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.63 1suh s ASP 100 CO 0.04 -4.11 0.00 1.67 0.21 0.00 0.00 175.17 172.98 1suh n GLN 101 N -4.85 0.00 -3.15 8.23 7.27 -1.26 -4.74 117.38 118.89 1suh n GLN 101 Ca 0.03 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 57.02 1suh n GLN 101 Cb 0.55 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.21 1suh n GLN 101 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1suh n ASN 102 N -3.42 -6.70 0.05 1.69 0.23 -1.26 -4.89 115.26 100.96 1suh n ASN 102 Ca 0.00 0.49 0.11 0.00 -0.53 0.00 0.00 54.58 54.65 1suh n ASN 102 Cb 0.00 -2.44 0.00 0.00 -2.08 0.00 0.00 39.78 35.26 1suh n ASN 102 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1suh n ASP 103 N 0.84 0.60 0.00 0.53 5.68 -1.26 -5.26 116.55 117.68 1suh n ASP 103 Ca -0.01 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1suh n ASP 103 Cb 0.45 0.82 0.00 0.00 -1.14 0.00 0.00 41.12 41.24 1suh n ASP 103 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41