#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 2.91 -0.43 1.24 0.52 -1.26 -4.83 118.94 117.10 1suh s TRP 2 Ca 0.00 -1.26 0.07 0.00 0.02 0.00 0.00 56.10 54.93 1suh s TRP 2 Cb 0.00 -4.47 0.18 0.00 -1.15 0.00 0.00 33.47 28.04 1suh s TRP 2 CO 0.00 -1.67 0.67 0.14 0.02 0.00 0.00 176.95 176.11 1suh s VAL 3 N 3.54 -0.96 -0.41 4.03 -7.23 -1.26 -4.31 120.40 113.78 1suh s VAL 3 Ca 0.40 -0.18 0.07 0.00 -1.81 0.00 0.00 61.98 60.46 1suh s VAL 3 Cb -0.02 0.00 0.18 0.00 0.56 0.00 0.00 36.38 37.10 1suh s VAL 3 CO -0.08 0.00 0.66 -0.51 -0.31 0.00 0.00 175.10 174.86 1suh s ILE 4 N 1.68 -0.96 0.21 -0.62 1.10 -1.26 -5.03 121.20 116.32 1suh s ILE 4 Ca 0.18 -0.08 -0.10 0.00 -0.51 0.00 0.00 60.65 60.15 1suh s ILE 4 Cb -0.03 0.00 0.16 0.00 0.15 0.00 0.00 42.46 42.75 1suh s ILE 4 CO -0.07 0.00 1.88 -0.65 -2.11 0.00 0.00 174.94 173.99 1suh h PRO 5 N 6.76 1.00 -6.74 3.50 0.11 -1.95 -3.43 132.00 131.25 1suh h PRO 5 Ca 0.05 -0.06 -0.52 0.00 0.11 0.00 0.00 66.00 65.58 1suh h PRO 5 Cb 1.18 -0.22 0.03 0.00 0.11 0.00 0.00 31.00 32.09 1suh h PRO 5 CO 0.08 0.66 0.57 -1.25 -0.21 0.00 0.00 178.00 177.85 1suh s PRO 6 N -6.13 4.49 0.22 1.05 0.05 -1.26 -2.93 135.00 130.49 1suh s PRO 6 Ca -0.13 1.95 0.00 0.00 0.05 0.00 0.00 61.00 62.87 1suh s PRO 6 Cb 0.15 -3.19 -0.04 0.00 0.05 0.00 0.00 34.50 31.47 1suh s PRO 6 CO 0.78 -0.05 0.14 0.42 0.05 0.00 0.00 177.00 178.33 1suh s ILE 7 N -0.51 0.10 0.03 0.56 -1.09 0.13 -4.96 121.20 115.46 1suh s ILE 7 Ca 0.51 -2.00 0.03 0.00 -2.23 0.00 0.00 60.65 56.96 1suh s ILE 7 Cb -0.34 -2.52 -0.02 0.00 -1.58 0.00 0.00 42.46 38.00 1suh s ILE 7 CO 0.41 0.00 -0.09 -0.55 -1.23 0.00 0.00 174.94 173.48 1suh s SER 8 N -3.21 1.08 -0.04 3.58 0.15 -1.26 -0.38 113.70 113.62 1suh s SER 8 Ca 0.39 -0.40 -0.02 0.00 0.70 0.00 0.00 55.95 56.62 1suh s SER 8 Cb 0.07 -0.04 0.03 0.00 -1.71 0.00 0.00 66.02 64.37 1suh s SER 8 CO 0.14 -0.05 0.06 0.00 1.20 0.00 0.00 173.24 174.58 1suh s PRO 10 N 1.85 0.49 0.35 0.00 0.04 -1.26 -2.51 135.00 133.95 1suh s PRO 10 Ca 0.01 1.03 0.09 0.00 0.04 0.00 0.00 61.00 62.17 1suh s PRO 10 Cb -0.12 -1.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 1suh s PRO 10 CO -0.03 -2.83 0.01 -1.83 0.04 0.00 0.00 177.00 172.36 1suh s GLU 11 N -4.70 2.06 -1.29 4.56 -1.05 -1.20 -3.05 118.70 114.03 1suh s GLU 11 Ca 0.66 -1.78 -0.16 0.00 -0.15 0.00 0.00 54.97 53.53 1suh s GLU 11 Cb -0.22 -1.90 0.16 0.00 -0.44 0.00 0.00 34.13 31.74 1suh s GLU 11 CO 0.60 0.11 0.41 0.09 0.95 0.00 0.00 175.26 177.42 1suh n ASN 12 N -0.96 -1.48 -4.22 0.83 3.02 0.04 -4.54 115.26 107.95 1suh n ASN 12 Ca -0.04 -0.74 -0.34 0.00 -0.03 0.00 0.00 54.58 53.44 1suh n ASN 12 Cb 0.63 -1.32 0.14 0.00 -0.61 0.00 0.00 39.78 38.62 1suh n ASN 12 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1suh n GLU 13 N -3.38 -1.27 -4.13 3.52 1.02 -1.26 -4.88 120.64 110.26 1suh n GLU 13 Ca 0.08 -0.36 -0.10 0.00 -0.02 0.00 0.00 57.16 56.77 1suh n GLU 13 Cb 0.42 -1.56 -0.10 0.00 -0.02 0.00 0.00 31.44 30.18 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 -3.16 0.98 0.00 3.49 -2.85 -1.26 -4.94 119.74 111.99 1suh s LYS 14 Ca 0.52 -1.42 0.00 0.00 -1.00 0.00 0.00 55.97 54.07 1suh s LYS 14 Cb -0.08 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 1suh s LYS 14 CO 0.66 -0.29 0.00 0.41 0.10 0.00 0.00 175.35 176.23 1suh n GLY 15 N -0.12 -0.06 3.84 0.59 0.00 -1.26 -4.98 105.19 103.20 1suh n GLY 15 Ca -0.05 -1.93 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 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 0.00 3.32 0.22 1.61 -1.05 -1.26 -5.11 118.70 116.43 1suh s GLU 16 Ca 0.00 -0.23 0.05 0.00 -0.15 0.00 0.00 54.97 54.64 1suh s GLU 16 Cb 0.00 -3.08 -0.03 0.00 -0.44 0.00 0.00 34.13 30.58 1suh s GLU 16 CO 0.00 0.74 0.26 -0.06 0.95 0.00 0.00 175.26 177.15 1suh s PHE 17 N -1.05 3.29 0.72 4.83 0.08 -1.26 -4.22 117.98 120.37 1suh s PHE 17 Ca 0.17 -0.03 -0.11 0.00 0.12 0.00 0.00 56.93 57.08 1suh s PHE 17 Cb -0.12 -1.52 0.02 0.00 -0.57 0.00 0.00 43.02 40.84 1suh s PHE 17 CO 0.06 0.49 1.07 -1.25 -0.10 0.00 0.00 175.22 175.49 1suh s PRO 18 N -3.68 2.72 -0.17 0.24 0.04 -1.26 -5.10 135.00 127.80 1suh s PRO 18 Ca 0.33 1.00 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 1suh s PRO 18 Cb -0.09 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1suh s PRO 18 CO 0.27 -1.27 -0.11 0.15 0.04 0.00 0.00 177.00 176.07 1suh s LYS 19 N -5.01 3.33 0.26 4.56 1.02 0.15 -4.91 119.74 119.13 1suh s LYS 19 Ca 0.59 -0.69 -0.30 0.00 0.02 0.00 0.00 55.97 55.60 1suh s LYS 19 Cb -0.15 -2.74 -0.09 0.00 -0.52 0.00 0.00 37.83 34.33 1suh s LYS 19 CO 0.55 0.02 1.08 -0.80 -0.92 0.00 0.00 175.35 175.29 1suh s ASN 20 N 0.84 7.32 0.00 2.83 -0.87 -1.26 -0.93 114.94 122.87 1suh s ASN 20 Ca -0.04 2.20 -0.06 0.00 -1.57 0.00 0.00 52.86 53.39 1suh s ASN 20 Cb -0.15 -2.62 -0.02 0.00 -0.02 0.00 0.00 41.25 38.44 1suh s ASN 20 CO 0.00 -0.12 -0.11 0.18 -2.57 0.00 0.00 177.10 174.48 1suh n LEU 21 N 1.46 1.33 -3.44 0.60 4.32 -0.19 -4.93 117.00 116.14 1suh n LEU 21 Ca -0.01 0.19 -0.12 0.00 -0.02 0.00 0.00 56.01 56.06 1suh n LEU 21 Cb 0.45 -0.46 -0.02 0.00 -1.62 0.00 0.00 43.42 41.77 1suh n LEU 21 CO 0.53 -0.59 0.42 0.54 -1.22 0.00 0.00 177.39 177.08 1suh s VAL 22 N -2.24 0.00 0.43 4.08 0.11 -1.03 -5.02 120.40 116.73 1suh s VAL 22 Ca -0.09 -0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 58.77 1suh s VAL 22 Cb 0.01 -1.05 -0.07 0.00 -1.53 0.00 0.00 36.38 33.74 1suh s VAL 22 CO 0.14 0.00 0.85 -1.10 -3.33 0.00 0.00 175.10 171.66 1suh s GLN 23 N -3.73 3.89 0.44 1.54 -0.21 -1.26 0.06 119.66 120.39 1suh s GLN 23 Ca 0.02 0.69 -0.03 0.00 0.02 0.00 0.00 55.36 56.05 1suh s GLN 23 Cb -0.01 -2.30 -0.04 0.00 1.00 0.00 0.00 33.01 31.66 1suh s GLN 23 CO -0.12 -0.09 0.71 0.42 -2.12 0.00 0.00 175.29 174.09 1suh s ILE 24 N -2.39 4.97 -0.05 1.08 -1.09 0.67 -4.79 121.20 119.59 1suh s ILE 24 Ca 0.55 -0.02 -0.02 0.00 -2.23 0.00 0.00 60.65 58.93 1suh s ILE 24 Cb -0.10 -3.86 0.04 0.00 -1.58 0.00 0.00 42.46 36.95 1suh s ILE 24 CO 0.28 -0.75 0.11 -0.54 -1.23 0.00 0.00 174.94 172.81 1suh s LYS 25 N -4.59 0.03 0.17 2.79 1.02 -1.26 -4.87 119.74 113.02 1suh s LYS 25 Ca 0.45 0.34 0.01 0.00 0.02 0.00 0.00 55.97 56.79 1suh s LYS 25 Cb -0.10 -0.24 0.01 0.00 -0.52 0.00 0.00 37.83 36.98 1suh s LYS 25 CO 0.42 -0.20 0.05 0.45 -0.92 0.00 0.00 175.35 175.15 1suh n SER 26 N 4.44 2.09 -0.13 2.83 2.88 -1.26 -4.63 113.62 119.84 1suh n SER 26 Ca -0.22 -1.67 -0.26 0.00 -1.33 0.00 0.00 58.87 55.39 1suh n SER 26 Cb 0.51 0.06 -0.09 0.00 -0.75 0.00 0.00 64.21 63.94 1suh n SER 26 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1suh n ASN 27 N -1.44 1.85 0.09 -3.46 3.02 -1.26 -4.34 115.26 109.72 1suh n ASN 27 Ca -0.04 0.25 0.03 0.00 -0.03 0.00 0.00 54.58 54.79 1suh n ASN 27 Cb 0.20 -0.70 0.17 0.00 -0.61 0.00 0.00 39.78 38.85 1suh n ASN 27 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1suh n ARG 28 N -4.01 0.04 0.00 3.52 5.12 -1.26 -2.01 116.66 118.07 1suh n ARG 28 Ca -0.49 0.42 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1suh n ARG 28 Cb 0.87 -1.94 0.00 0.00 -1.16 0.00 0.00 32.46 30.23 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 -1.67 0.08 -0.00 0.55 5.75 -1.26 -1.53 116.55 118.47 1suh n ASP 29 Ca -0.00 -0.30 0.10 0.00 -0.01 0.00 0.00 54.79 54.57 1suh n ASP 29 Cb 0.31 -0.04 -0.12 0.00 -1.03 0.00 0.00 41.12 40.24 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 0.02 0.29 -0.07 0.11 4.76 -0.85 -4.54 118.16 117.87 1suh n LYS 30 Ca 0.00 -0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.33 1suh n LYS 30 Cb 0.02 -1.46 -0.07 0.00 -1.84 0.00 0.00 35.03 31.68 1suh n LYS 30 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1suh n GLU 31 N -1.52 0.43 -3.50 1.97 0.28 -0.58 -5.08 120.64 112.64 1suh n GLU 31 Ca 0.03 0.08 -0.15 0.00 -0.16 0.00 0.00 57.16 56.96 1suh n GLU 31 Cb 0.33 -1.29 -0.05 0.00 1.43 0.00 0.00 31.44 31.87 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 -2.29 0.01 -0.35 3.84 -1.32 -1.25 -5.08 115.64 109.19 1suh s THR 32 Ca -0.19 -0.05 -0.36 0.00 -1.21 0.00 0.00 61.69 59.89 1suh s THR 32 Cb 0.05 -0.99 -0.12 0.00 -1.51 0.00 0.00 72.50 69.93 1suh s THR 32 CO 0.34 -0.02 2.18 1.17 -2.21 0.00 0.00 174.62 176.07 1suh n LYS 33 N 0.38 1.03 -3.89 7.08 4.81 -1.26 -4.59 118.16 121.73 1suh n LYS 33 Ca -0.18 0.28 -0.36 0.00 -0.87 0.00 0.00 58.31 57.18 1suh n LYS 33 Cb 0.60 -2.42 -0.06 0.00 0.02 0.00 0.00 35.03 33.18 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 7.21 5.48 0.31 3.15 0.11 -1.26 -0.48 120.40 134.92 1suh s VAL 34 Ca 1.10 0.08 0.04 0.00 -2.93 0.00 0.00 61.98 60.27 1suh s VAL 34 Cb -0.89 -3.45 -0.02 0.00 -1.53 0.00 0.00 36.38 30.49 1suh s VAL 34 CO 0.50 0.51 0.46 -0.36 -3.33 0.00 0.00 175.10 172.88 1suh s PHE 35 N -1.14 3.32 0.50 1.54 0.40 0.11 -4.81 117.98 117.91 1suh s PHE 35 Ca 0.19 -0.00 0.04 0.00 -0.60 0.00 0.00 56.93 56.56 1suh s PHE 35 Cb -0.12 -1.84 -0.01 0.00 0.51 0.00 0.00 43.02 41.56 1suh s PHE 35 CO 0.09 0.16 0.15 0.71 0.70 0.00 0.00 175.22 177.03 1suh s TYR 36 N -2.16 1.95 0.07 0.36 1.51 0.32 -0.83 117.35 118.57 1suh s TYR 36 Ca 0.40 -0.85 -0.23 0.00 -1.01 0.00 0.00 57.07 55.38 1suh s TYR 36 Cb -0.09 -1.77 0.06 0.00 -0.11 0.00 0.00 41.96 40.05 1suh s TYR 36 CO 0.32 0.02 0.55 -1.12 -1.11 0.00 0.00 175.55 174.21 1suh s SER 37 N -3.99 -0.49 0.03 2.29 0.01 0.19 -4.19 113.70 107.55 1suh s SER 37 Ca 0.22 0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.67 1suh s SER 37 Cb 0.01 0.53 -0.02 0.00 0.21 0.00 0.00 66.02 66.75 1suh s SER 37 CO 0.12 -0.78 -0.07 -0.51 0.41 0.00 0.00 173.24 172.41 1suh s ILE 38 N -2.71 0.53 0.16 1.44 2.07 -1.26 -1.40 121.20 120.02 1suh s ILE 38 Ca -0.04 -0.94 -0.23 0.00 -1.41 0.00 0.00 60.65 58.02 1suh s ILE 38 Cb -0.00 -0.57 0.07 0.00 0.13 0.00 0.00 42.46 42.08 1suh s ILE 38 CO -0.04 -0.30 0.63 0.28 -1.91 0.00 0.00 174.94 173.61 1suh s THR 39 N -1.17 0.00 0.00 4.00 -1.32 0.77 -4.89 115.64 113.02 1suh s THR 39 Ca -0.08 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.32 1suh s THR 39 Cb -0.09 -1.08 0.00 0.00 -1.51 0.00 0.00 72.50 69.82 1suh s THR 39 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1suh n GLY 40 N -0.38 -0.55 3.68 6.08 0.00 -1.26 -1.22 105.19 111.55 1suh n GLY 40 Ca -0.15 -2.20 -0.49 0.00 0.00 0.00 0.00 46.02 43.18 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 0.00 2.13 0.00 1.61 10.64 -1.26 -0.82 117.38 129.68 1suh n GLN 41 Ca 0.00 0.78 0.00 0.00 -1.83 0.00 0.00 57.00 55.95 1suh n GLN 41 Cb 0.00 -2.61 0.00 0.00 -0.86 0.00 0.00 30.24 26.77 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 4.32 1.88 0.88 2.61 0.00 -0.59 -4.79 105.19 109.51 1suh n GLY 42 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.75 2.81 -0.03 4.61 0.00 -0.00 -1.24 120.51 125.92 1suh n ALA 43 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1suh n ALA 43 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 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 -2.22 0.00 -4.79 0.00 5.75 -1.00 -1.68 116.55 112.61 1suh n ASP 44 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.48 1suh n ASP 44 Cb 0.00 1.80 -0.06 0.00 -1.03 0.00 0.00 41.12 41.83 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 -3.32 2.94 0.08 0.11 1.02 -1.06 -4.78 119.74 114.72 1suh s LYS 45 Ca -0.08 -0.70 -0.35 0.00 0.02 0.00 0.00 55.97 54.86 1suh s LYS 45 Cb 0.12 -2.74 -0.14 0.00 -0.52 0.00 0.00 37.83 34.55 1suh s LYS 45 CO 0.89 0.56 1.60 -2.30 -0.92 0.00 0.00 175.35 175.18 1suh n PRO 46 N 0.30 1.91 -1.94 -1.68 -0.02 -1.26 -1.54 135.00 130.78 1suh n PRO 46 Ca -0.08 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 1suh n PRO 46 Cb 0.52 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 1suh n PRO 46 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1suh s PRO 47 N 1.58 4.19 -0.53 0.52 0.02 -1.26 -4.44 135.00 135.09 1suh s PRO 47 Ca 0.84 2.30 -0.28 0.00 0.02 0.00 0.00 61.00 63.88 1suh s PRO 47 Cb -0.75 -3.71 0.03 0.00 0.02 0.00 0.00 34.50 30.09 1suh s PRO 47 CO 0.44 -0.76 1.13 0.08 -0.33 0.00 0.00 177.00 177.56 1suh s VAL 48 N 3.00 4.16 0.00 3.83 1.01 -1.11 -2.80 120.40 128.49 1suh s VAL 48 Ca 0.74 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.70 1suh s VAL 48 Cb -0.38 -4.64 0.00 0.00 0.00 0.00 0.00 36.38 31.36 1suh s VAL 48 CO 0.32 -1.15 0.00 0.61 0.00 0.00 0.00 175.10 174.88 1suh n GLY 49 N 4.97 -0.14 0.48 4.51 0.00 -0.68 -4.97 105.19 109.36 1suh n GLY 49 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1suh n GLY 49 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1suh n VAL 50 N -0.40 0.00 -4.07 1.61 0.24 -0.37 -4.86 118.33 110.48 1suh n VAL 50 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.95 1suh n VAL 50 Cb 0.08 -0.11 -0.07 0.00 -1.47 0.00 0.00 33.84 32.26 1suh n VAL 50 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1suh s PHE 51 N -1.24 3.41 0.03 6.34 0.08 -0.38 -0.47 117.98 125.75 1suh s PHE 51 Ca 0.00 0.35 -0.00 0.00 0.12 0.00 0.00 56.93 57.40 1suh s PHE 51 Cb 0.00 -1.85 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 1suh s PHE 51 CO 0.00 0.62 -0.03 0.96 -0.10 0.00 0.00 175.22 176.66 1suh s ILE 52 N -1.05 0.17 0.03 0.64 -4.36 -0.07 -4.69 121.20 111.87 1suh s ILE 52 Ca 0.17 -1.09 0.01 0.00 -0.26 0.00 0.00 60.65 59.48 1suh s ILE 52 Cb -0.12 -0.53 -0.02 0.00 1.25 0.00 0.00 42.46 43.04 1suh s ILE 52 CO 0.07 -0.59 -0.06 -0.63 0.24 0.00 0.00 174.94 173.98 1suh s ILE 53 N -1.92 0.34 -0.64 8.37 1.01 -1.26 -0.99 121.20 126.11 1suh s ILE 53 Ca -0.11 -0.99 -0.22 0.00 0.00 0.00 0.00 60.65 59.32 1suh s ILE 53 Cb -0.07 -0.45 0.07 0.00 0.01 0.00 0.00 42.46 42.03 1suh s ILE 53 CO -0.03 -0.43 0.92 -1.61 0.00 0.00 0.00 174.94 173.79 1suh s GLU 54 N -1.51 3.11 0.31 2.79 0.41 -0.47 -4.87 118.70 118.47 1suh s GLU 54 Ca -0.13 -0.89 0.05 0.00 -0.41 0.00 0.00 54.97 53.59 1suh s GLU 54 Cb -0.10 -4.23 0.28 0.00 -1.78 0.00 0.00 34.13 28.30 1suh s GLU 54 CO -0.00 -1.76 0.95 2.89 -0.49 0.00 0.00 175.26 176.85 1suh n ARG 55 N 7.48 0.04 0.00 1.61 1.85 -1.26 0.11 116.66 126.49 1suh n ARG 55 Ca -0.05 0.49 0.00 0.00 -1.00 0.00 0.00 57.85 57.30 1suh n ARG 55 Cb 0.45 -2.19 0.00 0.00 -1.05 0.00 0.00 32.46 29.67 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 -1.83 0.00 -0.08 2.89 1.02 -1.26 -0.52 120.64 120.85 1suh n GLU 56 Ca -0.00 0.16 0.02 0.00 -0.02 0.00 0.00 57.16 57.31 1suh n GLU 56 Cb 0.57 -0.64 0.06 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 -2.25 0.24 -0.82 2.62 -2.24 -1.01 -4.74 114.28 106.07 1suh n THR 57 Ca 0.00 -0.19 -0.04 0.00 -2.27 0.00 0.00 64.05 61.55 1suh n THR 57 Cb 0.00 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.19 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 0.59 0.40 3.63 3.38 0.00 0.30 -4.48 105.19 109.00 1suh n GLY 58 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1suh n GLY 58 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1suh n TRP 59 N -1.26 2.23 -3.15 1.61 5.03 -1.24 -0.24 117.44 120.42 1suh n TRP 59 Ca -0.04 -0.19 -0.42 0.00 3.03 0.00 0.00 57.50 59.88 1suh n TRP 59 Cb 0.28 -2.74 -0.07 0.00 -1.03 0.00 0.00 31.31 27.75 1suh n TRP 59 CO 0.00 0.00 0.00 -1.17 -0.03 0.00 0.00 177.69 176.49 1suh s LEU 60 N 6.02 4.28 0.20 -0.99 0.20 0.11 -1.37 118.68 127.13 1suh s LEU 60 Ca 0.95 0.11 0.07 0.00 0.69 0.00 0.00 54.13 55.96 1suh s LEU 60 Cb -0.47 -2.73 -0.05 0.00 -0.43 0.00 0.00 46.19 42.52 1suh s LEU 60 CO 0.42 -0.56 -0.14 -1.59 -0.29 0.00 0.00 176.35 174.19 1suh s LYS 61 N 2.62 1.31 0.04 1.98 -2.85 -0.16 -1.02 119.74 121.64 1suh s LYS 61 Ca 0.23 -1.57 0.04 0.00 -1.00 0.00 0.00 55.97 53.66 1suh s LYS 61 Cb -0.15 -1.08 -0.02 0.00 -2.06 0.00 0.00 37.83 34.52 1suh s LYS 61 CO 0.14 0.18 -0.11 0.14 0.10 0.00 0.00 175.35 175.80 1suh s VAL 62 N -2.98 0.84 -0.19 1.79 -7.23 -0.10 -0.89 120.40 111.64 1suh s VAL 62 Ca 0.22 -0.95 -0.12 0.00 -1.81 0.00 0.00 61.98 59.32 1suh s VAL 62 Cb -0.01 -0.80 -0.21 0.00 0.56 0.00 0.00 36.38 35.92 1suh s VAL 62 CO 0.06 -0.12 0.15 0.35 -0.31 0.00 0.00 175.10 175.24 1suh n THR 63 N 1.85 1.63 -3.91 5.32 -2.24 0.38 -0.68 114.28 116.64 1suh n THR 63 Ca -0.19 -0.39 -0.35 0.00 -2.27 0.00 0.00 64.05 60.85 1suh n THR 63 Cb 0.55 -1.83 -0.10 0.00 -2.10 0.00 0.00 70.33 66.86 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 -2.48 4.00 0.98 -0.78 1.11 -1.19 -4.82 119.66 116.48 1suh s GLN 64 Ca -0.28 -0.33 -0.12 0.00 0.01 0.00 0.00 55.36 54.65 1suh s GLN 64 Cb 0.08 -3.29 0.18 0.00 -1.01 0.00 0.00 33.01 28.97 1suh s GLN 64 CO 0.65 0.22 1.08 -1.25 0.01 0.00 0.00 175.29 176.01 1suh s PRO 65 N 0.52 0.55 0.57 2.91 0.04 -1.26 -4.88 135.00 133.45 1suh s PRO 65 Ca 0.04 0.97 0.01 0.00 0.04 0.00 0.00 61.00 62.06 1suh s PRO 65 Cb -0.12 -1.72 0.05 0.00 0.04 0.00 0.00 34.50 32.75 1suh s PRO 65 CO 0.01 -2.77 0.80 -0.51 0.04 0.00 0.00 177.00 174.57 1suh s LEU 66 N -6.59 3.23 -0.35 -3.56 1.43 -1.17 -4.72 118.68 106.94 1suh s LEU 66 Ca 0.66 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.68 1suh s LEU 66 Cb -0.21 -2.73 0.13 0.00 0.03 0.00 0.00 46.19 43.41 1suh s LEU 66 CO 0.59 -1.24 0.19 -0.62 0.23 0.00 0.00 176.35 175.50 1suh s ASP 67 N -4.47 3.34 0.60 2.29 2.15 -1.26 -0.78 116.67 118.54 1suh s ASP 67 Ca 0.59 -2.03 0.28 0.00 0.43 0.00 0.00 52.55 51.82 1suh s ASP 67 Cb -0.10 -0.57 1.31 0.00 -0.30 0.00 0.00 42.92 43.26 1suh s ASP 67 CO 0.39 -0.34 1.70 -0.09 -0.17 0.00 0.00 175.17 176.67 1suh h ARG 68 N 7.36 0.00 -0.18 4.34 2.43 -1.93 0.52 114.38 126.91 1suh h ARG 68 Ca -0.03 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 1suh h ARG 68 Cb 0.97 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1suh h ARG 68 CO 0.37 0.00 -0.43 0.93 -1.51 0.00 0.00 179.97 179.33 1suh h GLU 69 N 0.00 0.43 0.06 0.20 4.39 -2.01 -3.31 114.58 114.34 1suh h GLU 69 Ca 0.29 -0.22 -0.37 0.00 0.34 0.00 0.00 59.36 59.40 1suh h GLU 69 Cb 1.72 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 30.33 1suh h GLU 69 CO -0.00 0.79 -2.11 0.00 -1.16 0.00 0.00 179.01 176.52 1suh n ALA 70 N -2.49 1.07 -3.66 3.43 0.00 0.15 -4.91 120.51 114.10 1suh n ALA 70 Ca -0.02 -0.78 -0.20 0.00 0.00 0.00 0.00 53.44 52.44 1suh n ALA 70 Cb 0.51 -0.41 -0.17 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.16 -1.85 0.00 1.01 0.39 -4.99 121.20 113.08 1suh s ILE 71 Ca -0.29 0.34 0.27 0.00 0.00 0.00 0.00 60.65 60.97 1suh s ILE 71 Cb 0.08 -0.25 0.31 0.00 0.01 0.00 0.00 42.46 42.61 1suh s ILE 71 CO 0.67 0.12 1.59 0.00 0.00 0.00 0.00 174.94 177.32 1suh n ALA 72 N 5.31 3.01 -3.65 9.38 0.00 -1.25 -3.68 120.51 129.63 1suh n ALA 72 Ca -0.04 -0.41 -0.02 0.00 0.00 0.00 0.00 53.44 52.97 1suh n ALA 72 Cb 0.50 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.44 0.54 -0.15 0.00 2.20 -1.26 -0.50 119.74 118.13 1suh s LYS 73 Ca 0.26 1.40 -0.09 0.00 -0.36 0.00 0.00 55.97 57.18 1suh s LYS 73 Cb 0.19 0.79 -0.04 0.00 -1.51 0.00 0.00 37.83 37.26 1suh s LYS 73 CO 0.50 -0.21 0.15 0.71 -0.36 0.00 0.00 175.35 176.14 1suh s TYR 74 N 2.85 3.52 -0.05 4.03 1.51 0.26 -4.94 117.35 124.52 1suh s TYR 74 Ca -0.05 0.46 -0.03 0.00 -1.01 0.00 0.00 57.07 56.43 1suh s TYR 74 Cb -0.12 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 1suh s TYR 74 CO -0.18 0.53 0.10 0.42 -1.11 0.00 0.00 175.55 175.30 1suh s ILE 75 N -0.38 4.99 0.06 2.71 1.01 -1.26 -0.61 121.20 127.72 1suh s ILE 75 Ca 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.60 1suh s ILE 75 Cb -0.12 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1suh s ILE 75 CO 0.02 0.47 -0.02 -0.22 0.00 0.00 0.00 174.94 175.19 1suh s LEU 76 N -1.40 2.41 -0.14 2.97 2.96 -0.01 -4.47 118.68 120.99 1suh s LEU 76 Ca 0.19 -0.99 0.02 0.00 -0.22 0.00 0.00 54.13 53.13 1suh s LEU 76 Cb -0.12 0.25 0.02 0.00 0.50 0.00 0.00 46.19 46.83 1suh s LEU 76 CO 0.10 -0.61 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.02 1suh s TYR 77 N -3.92 2.44 0.27 5.38 1.51 -0.36 0.53 117.35 123.20 1suh s TYR 77 Ca 0.08 -1.30 0.11 0.00 -1.01 0.00 0.00 57.07 54.94 1suh s TYR 77 Cb 0.08 -1.71 -0.05 0.00 -0.11 0.00 0.00 41.96 40.17 1suh s TYR 77 CO -0.10 -0.64 -0.11 -1.54 -1.11 0.00 0.00 175.55 172.05 1suh s SER 78 N 1.10 4.04 0.04 2.29 1.04 -0.24 -0.16 113.70 121.81 1suh s SER 78 Ca -0.02 -0.85 0.01 0.00 0.48 0.00 0.00 55.95 55.58 1suh s SER 78 Cb -0.14 -0.56 -0.02 0.00 0.10 0.00 0.00 66.02 65.40 1suh s SER 78 CO -0.06 0.02 -0.06 -1.00 0.98 0.00 0.00 173.24 173.12 1suh s HIS 79 N -2.42 0.52 0.03 5.02 3.76 -0.49 -2.84 115.29 118.87 1suh s HIS 79 Ca 0.31 -0.58 0.05 0.00 -0.15 0.00 0.00 55.06 54.69 1suh s HIS 79 Cb -0.06 -0.33 -0.02 0.00 1.11 0.00 0.00 32.58 33.29 1suh s HIS 79 CO 0.17 -0.15 -0.14 0.00 -0.85 0.00 0.00 174.74 173.77 1suh s ALA 80 N -1.72 1.21 -0.05 -1.40 0.00 -1.26 0.57 121.76 119.11 1suh s ALA 80 Ca -0.10 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.08 1suh s ALA 80 Cb -0.08 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1suh s ALA 80 CO -0.01 0.24 -0.10 0.14 0.00 0.00 0.00 175.76 176.03 1suh s VAL 81 N -0.77 0.90 0.21 0.00 -7.23 -0.01 0.32 120.40 113.84 1suh s VAL 81 Ca 0.03 -0.36 -0.32 0.00 -1.81 0.00 0.00 61.98 59.51 1suh s VAL 81 Cb -0.08 -0.84 -0.13 0.00 0.56 0.00 0.00 36.38 35.90 1suh s VAL 81 CO 0.01 0.30 1.58 -1.54 -0.31 0.00 0.00 175.10 175.14 1suh n SER 82 N 3.73 3.38 0.00 4.85 3.41 0.54 0.07 113.62 129.61 1suh n SER 82 Ca -0.22 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.49 1suh n SER 82 Cb 0.52 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 1suh n SER 82 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1suh n SER 83 N 3.05 0.00 -0.05 4.04 2.88 0.37 -0.46 113.62 123.45 1suh n SER 83 Ca 0.14 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.62 1suh n SER 83 Cb 0.32 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.64 1suh n SER 83 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1suh n ASN 84 N -0.75 0.34 0.00 -3.46 0.23 -1.26 -4.97 115.26 105.38 1suh n ASN 84 Ca 0.00 0.16 0.00 0.00 -0.53 0.00 0.00 54.58 54.21 1suh n ASN 84 Cb 0.00 0.70 0.00 0.00 -2.08 0.00 0.00 39.78 38.40 1suh n ASN 84 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1suh n GLY 85 N 1.61 0.38 3.81 4.83 0.00 0.40 -5.12 105.19 111.09 1suh n GLY 85 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 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 3.81 -0.04 1.61 2.02 -1.24 -4.93 118.70 119.92 1suh s GLU 86 Ca 0.00 -0.14 -0.30 0.00 0.02 0.00 0.00 54.97 54.55 1suh s GLU 86 Cb 0.00 -3.30 -0.05 0.00 0.10 0.00 0.00 34.13 30.88 1suh s GLU 86 CO 0.00 0.55 1.43 0.00 0.02 0.00 0.00 175.26 177.26 1suh s ALA 87 N -0.37 3.60 -0.02 5.21 0.00 -1.26 -0.34 121.76 128.59 1suh s ALA 87 Ca 0.12 0.81 0.15 0.00 0.00 0.00 0.00 51.96 53.04 1suh s ALA 87 Cb -0.12 -3.63 0.26 0.00 0.00 0.00 0.00 23.12 19.63 1suh s ALA 87 CO 0.02 -1.07 1.11 1.33 0.00 0.00 0.00 175.76 177.15 1suh n VAL 88 N 4.98 0.25 -2.56 0.00 0.24 -0.99 -4.85 118.33 115.40 1suh n VAL 88 Ca 0.14 -0.84 -0.33 0.00 -2.04 0.00 0.00 64.34 61.27 1suh n VAL 88 Cb 0.44 0.67 -0.05 0.00 -1.47 0.00 0.00 33.84 33.43 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 -0.37 3.99 -0.06 7.34 -1.05 0.96 -4.48 118.70 125.04 1suh s GLU 89 Ca 0.21 1.09 -0.02 0.00 -0.15 0.00 0.00 54.97 56.10 1suh s GLU 89 Cb 0.24 -2.14 0.04 0.00 -0.44 0.00 0.00 34.13 31.82 1suh s GLU 89 CO -0.09 -0.24 0.11 -0.51 0.95 0.00 0.00 175.26 175.48 1suh s ASP 90 N -2.56 0.52 -0.83 0.83 1.11 -1.26 -4.75 116.67 109.73 1suh s ASP 90 Ca 0.62 0.20 -0.21 0.00 0.18 0.00 0.00 52.55 53.34 1suh s ASP 90 Cb -0.11 0.08 -0.18 0.00 1.07 0.00 0.00 42.92 43.78 1suh s ASP 90 CO 0.23 -0.20 2.01 -2.65 1.18 0.00 0.00 175.17 175.74 1suh n PRO 91 N 4.84 0.18 -3.98 8.23 -0.02 -1.26 -4.53 135.00 138.46 1suh n PRO 91 Ca -0.14 -1.10 -0.36 0.00 -2.02 0.00 0.00 63.50 59.88 1suh n PRO 91 Cb 0.50 -3.19 -0.07 0.00 -0.02 0.00 0.00 33.50 30.72 1suh n PRO 91 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1suh s MET 92 N 7.97 3.42 -0.31 -0.52 1.75 -1.13 -4.95 119.30 125.53 1suh s MET 92 Ca 0.75 -0.20 -0.14 0.00 -1.25 0.00 0.00 55.69 54.85 1suh s MET 92 Cb -0.12 -3.12 -0.03 0.00 2.84 0.00 0.00 34.83 34.40 1suh s MET 92 CO 0.16 0.71 0.33 -1.83 -0.65 0.00 0.00 175.02 173.73 1suh s GLU 93 N -0.83 3.76 -0.13 4.11 -1.05 -1.26 -1.07 118.70 122.21 1suh s GLU 93 Ca 0.14 -0.29 -0.21 0.00 -0.15 0.00 0.00 54.97 54.46 1suh s GLU 93 Cb -0.12 -3.74 -0.03 0.00 -0.44 0.00 0.00 34.13 29.80 1suh s GLU 93 CO 0.03 -0.39 0.61 0.42 0.95 0.00 0.00 175.26 176.88 1suh s ILE 94 N 1.97 5.08 -0.42 1.83 1.01 0.19 -4.89 121.20 125.96 1suh s ILE 94 Ca 0.11 1.20 -0.15 0.00 0.00 0.00 0.00 60.65 61.81 1suh s ILE 94 Cb -0.16 -3.94 0.03 0.00 0.01 0.00 0.00 42.46 38.39 1suh s ILE 94 CO 0.11 0.22 0.31 -0.69 0.00 0.00 0.00 174.94 174.88 1suh s VAL 95 N 1.20 5.24 -0.28 2.92 1.01 -1.15 -0.83 120.40 128.51 1suh s VAL 95 Ca 0.31 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 1suh s VAL 95 Cb -0.16 -3.94 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 1suh s VAL 95 CO 0.13 -0.34 0.07 -0.63 0.00 0.00 0.00 175.10 174.33 1suh s ILE 96 N 1.67 4.04 0.18 2.22 1.01 0.22 0.18 121.20 130.73 1suh s ILE 96 Ca 0.05 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 1suh s ILE 96 Cb -0.20 -3.01 -0.06 0.00 0.01 0.00 0.00 42.46 39.20 1suh s ILE 96 CO 0.10 0.17 0.45 0.28 0.00 0.00 0.00 174.94 175.94 1suh s THR 97 N 1.53 5.06 0.25 2.92 -1.32 0.49 0.91 115.64 125.49 1suh s THR 97 Ca 0.04 0.23 -0.11 0.00 -1.21 0.00 0.00 61.69 60.64 1suh s THR 97 Cb -0.16 -3.62 -0.08 0.00 -1.51 0.00 0.00 72.50 67.13 1suh s THR 97 CO 0.02 -0.01 0.59 -0.69 -2.21 0.00 0.00 174.62 172.32 1suh s VAL 98 N -1.73 4.88 0.07 5.08 1.01 0.35 -0.37 120.40 129.69 1suh s VAL 98 Ca 0.44 0.56 0.05 0.00 0.00 0.00 0.00 61.98 63.03 1suh s VAL 98 Cb -0.12 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1suh s VAL 98 CO 0.23 -0.10 -0.15 -0.89 0.00 0.00 0.00 175.10 174.20 1suh s THR 99 N -1.85 1.15 0.91 3.92 2.01 -1.04 -4.86 115.64 115.87 1suh s THR 99 Ca 0.49 -1.32 -0.16 0.00 0.31 0.00 0.00 61.69 61.01 1suh s THR 99 Cb -0.11 -1.10 -0.08 0.00 0.01 0.00 0.00 72.50 71.22 1suh s THR 99 CO 0.21 -0.21 -0.22 -0.67 -0.69 0.00 0.00 174.62 173.03 1suh n ASP 100 N 1.28 -4.08 -2.01 3.53 2.03 -1.26 -3.22 116.55 112.83 1suh n ASP 100 Ca -0.21 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1suh n ASP 100 Cb 0.54 -0.96 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 1suh n ASP 100 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1suh n GLN 101 N 0.76 0.68 -1.46 -0.67 10.64 -1.26 -4.45 117.38 121.62 1suh n GLN 101 Ca 0.03 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.87 1suh n GLN 101 Cb 0.54 0.00 0.07 0.00 -0.86 0.00 0.00 30.24 29.99 1suh n GLN 101 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1suh n ASN 102 N -2.20 7.22 0.11 2.61 5.03 -1.26 -4.67 115.26 122.09 1suh n ASN 102 Ca 0.00 -3.78 -0.13 0.00 0.87 0.00 0.00 54.58 51.53 1suh n ASN 102 Cb 0.00 -0.87 -0.08 0.00 -1.02 0.00 0.00 39.78 37.81 1suh n ASN 102 CO 0.00 0.00 0.00 -2.24 -1.83 0.00 0.00 177.26 173.19 1suh h ASP 103 N 2.04 -0.22 0.00 6.41 2.03 -1.97 -3.53 116.42 121.19 1suh h ASP 103 Ca 0.57 -0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.67 1suh h ASP 103 Cb 0.93 0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.49 1suh h ASP 103 CO 1.45 0.08 0.00 -3.20 -1.03 0.00 0.00 179.24 176.54