#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 2.63 -0.43 1.24 0.52 -1.26 -4.85 118.94 116.79 1suh s TRP 2 Ca 0.00 -0.84 0.08 0.00 0.02 0.00 0.00 56.10 55.35 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 -1.85 0.66 0.14 0.02 0.00 0.00 176.95 175.92 1suh s VAL 3 N 4.55 -0.99 -0.43 4.03 -7.23 -1.26 -4.12 120.40 114.95 1suh s VAL 3 Ca 0.41 -0.20 0.06 0.00 -1.81 0.00 0.00 61.98 60.44 1suh s VAL 3 Cb -0.03 0.00 0.18 0.00 0.56 0.00 0.00 36.38 37.10 1suh s VAL 3 CO -0.06 0.00 0.70 -0.51 -0.31 0.00 0.00 175.10 174.92 1suh s ILE 4 N 1.66 -0.91 0.18 -0.62 2.07 -1.26 -5.03 121.20 117.28 1suh s ILE 4 Ca 0.19 -0.26 -0.11 0.00 -1.41 0.00 0.00 60.65 59.06 1suh s ILE 4 Cb -0.03 0.00 0.10 0.00 0.13 0.00 0.00 42.46 42.65 1suh s ILE 4 CO -0.07 0.00 1.75 -0.65 -1.91 0.00 0.00 174.94 174.06 1suh h PRO 5 N 6.28 0.95 -6.83 3.50 0.11 -1.95 -3.44 132.00 130.63 1suh h PRO 5 Ca 0.04 -0.16 -0.50 0.00 0.11 0.00 0.00 66.00 65.50 1suh h PRO 5 Cb 1.17 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 32.13 1suh h PRO 5 CO 0.06 0.79 0.43 -1.25 -0.21 0.00 0.00 178.00 177.82 1suh s PRO 6 N -5.60 4.58 0.22 1.05 0.04 -1.26 -2.81 135.00 131.23 1suh s PRO 6 Ca -0.13 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 62.46 1suh s PRO 6 Cb 0.13 -3.06 -0.00 0.00 0.04 0.00 0.00 34.50 31.61 1suh s PRO 6 CO 0.80 0.20 0.43 0.42 0.04 0.00 0.00 177.00 178.89 1suh s ILE 7 N -1.28 0.01 0.05 0.56 1.01 -0.37 -4.99 121.20 116.19 1suh s ILE 7 Ca 0.47 -1.37 0.07 0.00 0.00 0.00 0.00 60.65 59.82 1suh s ILE 7 Cb -0.28 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1suh s ILE 7 CO 0.36 -0.06 -0.20 -0.94 0.00 0.00 0.00 174.94 174.10 1suh s SER 8 N -3.00 2.36 0.02 3.58 1.04 -1.26 -0.22 113.70 116.22 1suh s SER 8 Ca 0.21 -0.52 0.05 0.00 0.48 0.00 0.00 55.95 56.17 1suh s SER 8 Cb 0.00 -0.19 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 1suh s SER 8 CO 0.06 0.14 -0.16 0.00 0.98 0.00 0.00 173.24 174.26 1suh s PRO 10 N -0.82 3.99 0.11 0.00 0.04 -1.26 -1.03 135.00 136.02 1suh s PRO 10 Ca 0.05 2.15 0.04 0.00 0.04 0.00 0.00 61.00 63.28 1suh s PRO 10 Cb -0.07 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 1suh s PRO 10 CO 0.01 -0.47 0.11 -2.00 0.04 0.00 0.00 177.00 174.68 1suh s GLU 11 N -2.22 2.92 -0.26 4.56 2.12 -0.78 -3.13 118.70 121.91 1suh s GLU 11 Ca 0.56 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 55.15 1suh s GLU 11 Cb -0.38 -2.71 0.00 0.00 0.26 0.00 0.00 34.13 31.30 1suh s GLU 11 CO 0.49 0.54 0.00 0.09 -0.54 0.00 0.00 175.26 175.84 1suh n ASN 12 N 0.15 -2.44 -4.41 -1.70 3.02 -0.95 -4.38 115.26 104.55 1suh n ASN 12 Ca -0.08 0.06 -0.42 0.00 -0.03 0.00 0.00 54.58 54.11 1suh n ASN 12 Cb 0.53 -1.91 0.01 0.00 -0.61 0.00 0.00 39.78 37.79 1suh n ASN 12 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1suh n GLU 13 N -0.14 0.41 -4.08 3.52 0.28 -1.26 -4.98 120.64 114.39 1suh n GLU 13 Ca -0.02 0.15 -0.10 0.00 -0.16 0.00 0.00 57.16 57.03 1suh n GLU 13 Cb 0.23 -1.38 -0.11 0.00 1.43 0.00 0.00 31.44 31.62 1suh n GLU 13 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1suh s LYS 14 N -1.44 0.58 0.00 3.44 -2.85 -1.26 -4.65 119.74 113.56 1suh s LYS 14 Ca 0.62 -0.99 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 1suh s LYS 14 Cb -0.61 -0.07 0.00 0.00 -2.06 0.00 0.00 37.83 35.09 1suh s LYS 14 CO 0.59 -0.03 0.00 0.41 0.10 0.00 0.00 175.35 176.43 1suh n GLY 15 N 0.78 0.43 3.69 0.59 0.00 -1.26 -5.09 105.19 104.34 1suh n GLY 15 Ca -0.18 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 1suh n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1suh s GLU 16 N -1.71 2.97 0.16 1.61 2.12 -1.26 -5.12 118.70 117.47 1suh s GLU 16 Ca 0.00 -0.43 0.09 0.00 0.36 0.00 0.00 54.97 54.99 1suh s GLU 16 Cb 0.00 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 1suh s GLU 16 CO 0.00 0.69 -0.13 -0.06 -0.54 0.00 0.00 175.26 175.22 1suh s PHE 17 N -0.92 2.59 0.90 5.30 0.08 -1.26 -4.13 117.98 120.54 1suh s PHE 17 Ca 0.14 -0.24 -0.12 0.00 0.12 0.00 0.00 56.93 56.83 1suh s PHE 17 Cb -0.11 -1.30 0.13 0.00 -0.57 0.00 0.00 43.02 41.17 1suh s PHE 17 CO 0.04 0.47 1.12 -1.25 -0.10 0.00 0.00 175.22 175.50 1suh s PRO 18 N -2.59 1.24 -0.04 0.24 0.04 -1.26 -5.11 135.00 127.52 1suh s PRO 18 Ca 0.22 0.42 0.01 0.00 0.04 0.00 0.00 61.00 61.69 1suh s PRO 18 Cb -0.09 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1suh s PRO 18 CO 0.13 -2.16 -0.04 0.21 0.04 0.00 0.00 177.00 175.19 1suh s LYS 19 N -5.19 0.67 0.26 4.56 2.20 -0.04 -4.96 119.74 117.24 1suh s LYS 19 Ca 0.63 -0.08 -0.30 0.00 -0.36 0.00 0.00 55.97 55.87 1suh s LYS 19 Cb -0.15 -0.71 -0.09 0.00 -1.51 0.00 0.00 37.83 35.36 1suh s LYS 19 CO 0.54 -0.07 1.11 -0.80 -0.36 0.00 0.00 175.35 175.78 1suh s ASN 20 N 0.81 7.24 -0.01 1.43 -0.87 -1.26 -0.53 114.94 121.74 1suh s ASN 20 Ca -0.10 2.25 -0.06 0.00 -1.57 0.00 0.00 52.86 53.38 1suh s ASN 20 Cb -0.13 -2.62 -0.02 0.00 -0.02 0.00 0.00 41.25 38.46 1suh s ASN 20 CO -0.00 -0.18 -0.12 0.18 -2.57 0.00 0.00 177.10 174.41 1suh n LEU 21 N 1.46 1.20 -3.47 0.60 4.77 0.02 -4.90 117.00 116.68 1suh n LEU 21 Ca -0.00 0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 56.05 1suh n LEU 21 Cb 0.45 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1suh n LEU 21 CO 0.54 -0.55 0.43 0.54 -1.33 0.00 0.00 177.39 177.02 1suh s VAL 22 N -2.14 0.00 0.28 4.08 0.11 -1.03 -5.02 120.40 116.68 1suh s VAL 22 Ca -0.10 -0.11 -0.19 0.00 -2.93 0.00 0.00 61.98 58.65 1suh s VAL 22 Cb 0.01 -1.11 -0.09 0.00 -1.53 0.00 0.00 36.38 33.67 1suh s VAL 22 CO 0.15 0.00 0.77 -1.58 -3.33 0.00 0.00 175.10 171.11 1suh s GLN 23 N -3.73 4.23 0.44 1.54 0.74 -1.26 -0.26 119.66 121.36 1suh s GLN 23 Ca 0.02 0.89 -0.04 0.00 0.05 0.00 0.00 55.36 56.28 1suh s GLN 23 Cb -0.02 -2.70 -0.04 0.00 1.10 0.00 0.00 33.01 31.36 1suh s GLN 23 CO -0.11 0.29 0.72 0.42 -0.55 0.00 0.00 175.29 176.06 1suh s ILE 24 N -1.70 4.96 -0.02 -2.34 -1.09 0.24 -4.85 121.20 116.39 1suh s ILE 24 Ca 0.48 0.05 -0.01 0.00 -2.23 0.00 0.00 60.65 58.95 1suh s ILE 24 Cb -0.15 -3.86 0.01 0.00 -1.58 0.00 0.00 42.46 36.89 1suh s ILE 24 CO 0.20 -0.76 0.03 -0.54 -1.23 0.00 0.00 174.94 172.64 1suh s LYS 25 N -4.58 0.01 0.00 2.79 1.02 -1.26 -4.86 119.74 112.86 1suh s LYS 25 Ca 0.46 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.54 1suh s LYS 25 Cb -0.10 -0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.14 1suh s LYS 25 CO 0.42 -0.06 0.00 0.45 -0.92 0.00 0.00 175.35 175.24 1suh n SER 26 N 3.42 0.00 0.00 2.83 2.88 -1.26 -4.59 113.62 116.89 1suh n SER 26 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1suh n SER 26 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1suh n SER 26 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1suh n ASN 27 N 0.00 0.00 0.00 -3.46 6.94 -1.26 -4.19 115.26 113.30 1suh n ASN 27 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1suh n ASN 27 Cb 0.00 0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 1suh n ASN 27 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1suh n ARG 28 N -2.35 0.00 0.00 -3.83 5.12 -1.26 -2.40 116.66 111.93 1suh n ARG 28 Ca 0.00 0.29 0.00 0.00 -1.93 0.00 0.00 57.85 56.21 1suh n ARG 28 Cb 0.00 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 29.78 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 -1.28 0.01 -0.04 0.55 5.75 -1.26 -1.25 116.55 119.03 1suh n ASP 29 Ca 0.00 -0.37 0.03 0.00 -0.01 0.00 0.00 54.79 54.44 1suh n ASP 29 Cb 0.02 -0.01 -0.15 0.00 -1.03 0.00 0.00 41.12 39.95 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 -0.45 0.76 -0.11 0.11 5.02 -1.01 -4.55 118.16 117.93 1suh n LYS 30 Ca 0.00 -0.12 -0.13 0.00 -2.02 0.00 0.00 58.31 56.05 1suh n LYS 30 Cb 0.00 -1.46 -0.14 0.00 -0.02 0.00 0.00 35.03 33.41 1suh n LYS 30 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1suh n GLU 31 N -2.36 0.71 -3.61 1.97 0.28 -0.38 -5.02 120.64 112.23 1suh n GLU 31 Ca -0.13 0.05 -0.15 0.00 -0.16 0.00 0.00 57.16 56.77 1suh n GLU 31 Cb 0.72 -1.51 -0.07 0.00 1.43 0.00 0.00 31.44 32.01 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 -2.49 0.00 0.02 3.84 -1.32 -1.12 -5.12 115.64 109.45 1suh s THR 32 Ca -0.20 -0.00 -0.38 0.00 -1.21 0.00 0.00 61.69 59.90 1suh s THR 32 Cb 0.07 -0.99 -0.18 0.00 -1.51 0.00 0.00 72.50 69.90 1suh s THR 32 CO 0.73 -0.00 1.30 1.17 -2.21 0.00 0.00 174.62 175.61 1suh n LYS 33 N 2.33 0.80 -5.08 7.08 4.81 -1.26 -4.33 118.16 122.50 1suh n LYS 33 Ca -0.15 0.29 -0.29 0.00 -0.87 0.00 0.00 58.31 57.29 1suh n LYS 33 Cb 0.55 -1.89 -0.16 0.00 0.02 0.00 0.00 35.03 33.55 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 0.66 1.78 0.27 3.15 0.11 -1.26 -1.15 120.40 123.96 1suh s VAL 34 Ca 0.88 -0.92 0.04 0.00 -2.93 0.00 0.00 61.98 59.05 1suh s VAL 34 Cb -1.07 -1.51 -0.03 0.00 -1.53 0.00 0.00 36.38 32.25 1suh s VAL 34 CO 0.52 0.50 0.41 -0.36 -3.33 0.00 0.00 175.10 172.85 1suh s PHE 35 N -0.16 3.44 0.49 1.54 0.40 0.11 -4.86 117.98 118.95 1suh s PHE 35 Ca -0.01 0.06 0.06 0.00 -0.60 0.00 0.00 56.93 56.43 1suh s PHE 35 Cb -0.12 -1.68 0.01 0.00 0.51 0.00 0.00 43.02 41.74 1suh s PHE 35 CO 0.02 0.33 0.33 0.71 0.70 0.00 0.00 175.22 177.31 1suh s TYR 36 N -2.08 2.02 -0.08 0.36 1.51 0.25 -1.20 117.35 118.12 1suh s TYR 36 Ca 0.36 -0.74 -0.24 0.00 -1.01 0.00 0.00 57.07 55.44 1suh s TYR 36 Cb -0.09 -1.95 0.05 0.00 -0.11 0.00 0.00 41.96 39.87 1suh s TYR 36 CO 0.31 -0.24 0.56 0.45 -1.11 0.00 0.00 175.55 175.52 1suh s SER 37 N -4.15 -0.52 0.04 2.29 0.15 0.79 -4.33 113.70 107.97 1suh s SER 37 Ca 0.36 0.67 0.04 0.00 0.70 0.00 0.00 55.95 57.72 1suh s SER 37 Cb -0.01 0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 64.93 1suh s SER 37 CO 0.21 -0.46 -0.12 -0.51 1.20 0.00 0.00 173.24 173.56 1suh s ILE 38 N -0.84 0.92 -0.21 6.45 2.07 -1.26 -1.32 121.20 127.01 1suh s ILE 38 Ca -0.09 -1.03 -0.27 0.00 -1.41 0.00 0.00 60.65 57.86 1suh s ILE 38 Cb -0.02 -0.88 0.08 0.00 0.13 0.00 0.00 42.46 41.77 1suh s ILE 38 CO 0.06 -0.13 0.75 0.28 -1.91 0.00 0.00 174.94 173.99 1suh s THR 39 N -1.01 0.00 -2.89 4.00 -1.32 0.89 -4.96 115.64 110.35 1suh s THR 39 Ca -0.02 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1suh s THR 39 Cb -0.08 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 1suh s THR 39 CO 0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 1suh n GLY 40 N 2.08 0.86 3.58 6.08 0.00 -1.26 -1.22 105.19 115.32 1suh n GLY 40 Ca -0.15 -2.10 -0.45 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 -1.01 1.30 0.00 1.61 10.64 -1.26 -0.85 117.38 127.81 1suh n GLN 41 Ca 0.00 0.46 0.00 0.00 -1.83 0.00 0.00 57.00 55.63 1suh n GLN 41 Cb 0.00 -1.83 0.00 0.00 -0.86 0.00 0.00 30.24 27.55 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 1.36 2.54 0.81 2.61 0.00 -0.46 -4.79 105.19 107.26 1suh n GLY 42 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.63 2.66 -0.07 4.61 0.00 -0.03 0.12 120.51 126.17 1suh n ALA 43 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 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 -2.00 0.15 -4.91 0.00 5.75 -0.70 -1.80 116.55 113.05 1suh n ASP 44 Ca 0.00 0.07 -0.31 0.00 -0.01 0.00 0.00 54.79 54.54 1suh n ASP 44 Cb 0.00 0.93 -0.04 0.00 -1.03 0.00 0.00 41.12 40.98 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 -2.63 3.49 0.19 0.11 1.02 -1.06 -4.72 119.74 116.13 1suh s LYS 45 Ca -0.09 -0.35 -0.33 0.00 0.02 0.00 0.00 55.97 55.22 1suh s LYS 45 Cb 0.07 -2.99 -0.14 0.00 -0.52 0.00 0.00 37.83 34.26 1suh s LYS 45 CO 0.84 0.57 1.51 -2.30 -0.92 0.00 0.00 175.35 175.05 1suh n PRO 46 N 0.22 2.08 -2.11 -1.68 -0.01 -1.26 -1.36 135.00 130.89 1suh n PRO 46 Ca -0.04 0.75 -0.42 0.00 -0.01 0.00 0.00 63.50 63.77 1suh n PRO 46 Cb 0.51 -2.47 -0.03 0.00 -0.01 0.00 0.00 33.50 31.51 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 0.41 4.21 -0.26 0.52 0.04 -1.26 -4.42 135.00 134.23 1suh s PRO 47 Ca 0.75 2.08 -0.29 0.00 0.04 0.00 0.00 61.00 63.58 1suh s PRO 47 Cb -0.68 -3.82 0.01 0.00 0.04 0.00 0.00 34.50 30.05 1suh s PRO 47 CO 0.42 -0.75 1.15 0.54 0.04 0.00 0.00 177.00 178.40 1suh s VAL 48 N 3.44 4.43 0.00 -0.36 0.11 -1.08 -2.25 120.40 124.69 1suh s VAL 48 Ca 0.69 1.69 0.00 0.00 -2.93 0.00 0.00 61.98 61.42 1suh s VAL 48 Cb -0.32 -4.26 0.00 0.00 -1.53 0.00 0.00 36.38 30.27 1suh s VAL 48 CO 0.27 -0.34 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 1suh n GLY 49 N 3.77 0.05 0.00 6.54 0.00 -0.74 -4.93 105.19 109.88 1suh n GLY 49 Ca 0.13 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.13 0.00 -4.75 1.61 0.31 0.32 -4.79 118.33 110.90 1suh n VAL 50 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1suh n VAL 50 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 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 2.39 -0.02 3.52 0.08 -0.11 -0.40 117.98 122.44 1suh s PHE 51 Ca 0.00 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.68 1suh s PHE 51 Cb 0.00 -1.39 0.01 0.00 -0.57 0.00 0.00 43.02 41.08 1suh s PHE 51 CO 0.00 0.20 0.04 0.96 -0.10 0.00 0.00 175.22 176.32 1suh s ILE 52 N -0.89 -0.02 0.08 0.64 -4.36 -0.06 -4.72 121.20 111.87 1suh s ILE 52 Ca 0.13 0.09 0.05 0.00 -0.26 0.00 0.00 60.65 60.66 1suh s ILE 52 Cb -0.10 -0.07 -0.03 0.00 1.25 0.00 0.00 42.46 43.50 1suh s ILE 52 CO 0.04 0.04 -0.13 -0.51 0.24 0.00 0.00 174.94 174.61 1suh s ILE 53 N 0.47 1.06 -0.52 8.37 2.07 -1.26 -0.15 121.20 131.24 1suh s ILE 53 Ca -0.04 -1.38 -0.21 0.00 -1.41 0.00 0.00 60.65 57.61 1suh s ILE 53 Cb -0.05 -1.12 0.05 0.00 0.13 0.00 0.00 42.46 41.46 1suh s ILE 53 CO -0.02 -0.31 0.73 -1.61 -1.91 0.00 0.00 174.94 171.82 1suh s GLU 54 N -1.98 3.19 0.33 3.50 0.41 -0.46 -4.89 118.70 118.81 1suh s GLU 54 Ca -0.00 -0.67 0.11 0.00 -0.41 0.00 0.00 54.97 54.00 1suh s GLU 54 Cb -0.08 -4.08 0.60 0.00 -1.78 0.00 0.00 34.13 28.79 1suh s GLU 54 CO 0.02 -1.30 1.21 2.89 -0.49 0.00 0.00 175.26 177.59 1suh n ARG 55 N 6.59 0.08 -0.00 1.61 1.85 -1.26 0.17 116.66 125.69 1suh n ARG 55 Ca -0.04 0.55 -0.00 0.00 -1.00 0.00 0.00 57.85 57.36 1suh n ARG 55 Cb 0.46 -2.12 -0.00 0.00 -1.05 0.00 0.00 32.46 29.75 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 -2.01 0.02 -0.09 2.89 1.02 -1.26 -0.58 120.64 120.63 1suh n GLU 56 Ca -0.01 0.18 0.03 0.00 -0.02 0.00 0.00 57.16 57.33 1suh n GLU 56 Cb 0.39 -0.70 0.07 0.00 -0.02 0.00 0.00 31.44 31.18 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 -2.42 0.24 -0.94 2.62 -2.24 -1.10 -4.77 114.28 105.66 1suh n THR 57 Ca -0.00 -0.22 -0.05 0.00 -2.27 0.00 0.00 64.05 61.50 1suh n THR 57 Cb 0.01 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.30 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 0.73 0.51 3.65 3.38 0.00 0.44 -4.55 105.19 109.35 1suh n GLY 58 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.24 1.47 -0.24 1.61 0.52 -1.24 -0.60 118.94 119.22 1suh s TRP 59 Ca 0.00 -0.19 -0.15 0.00 0.02 0.00 0.00 56.10 55.78 1suh s TRP 59 Cb 0.00 -4.13 -0.04 0.00 -1.15 0.00 0.00 33.47 28.15 1suh s TRP 59 CO 0.00 -4.95 0.37 -1.17 0.02 0.00 0.00 176.95 171.22 1suh s LEU 60 N 4.69 4.09 0.23 2.99 0.20 0.64 -1.35 118.68 130.17 1suh s LEU 60 Ca 0.85 0.37 0.08 0.00 0.69 0.00 0.00 54.13 56.12 1suh s LEU 60 Cb -0.39 -2.44 -0.05 0.00 -0.43 0.00 0.00 46.19 42.88 1suh s LEU 60 CO 0.38 -0.13 -0.14 -0.54 -0.29 0.00 0.00 176.35 175.63 1suh s LYS 61 N 1.71 1.43 0.12 1.98 1.02 0.78 -0.80 119.74 125.98 1suh s LYS 61 Ca 0.16 -1.66 0.10 0.00 0.02 0.00 0.00 55.97 54.59 1suh s LYS 61 Cb -0.15 -1.24 -0.04 0.00 -0.52 0.00 0.00 37.83 35.88 1suh s LYS 61 CO 0.09 0.18 -0.24 0.14 -0.92 0.00 0.00 175.35 174.60 1suh s VAL 62 N -2.90 2.01 -0.10 3.17 -7.23 0.31 -0.88 120.40 114.78 1suh s VAL 62 Ca 0.25 -1.65 0.14 0.00 -1.81 0.00 0.00 61.98 58.90 1suh s VAL 62 Cb -0.01 -1.80 -0.20 0.00 0.56 0.00 0.00 36.38 34.94 1suh s VAL 62 CO 0.09 0.03 0.15 0.35 -0.31 0.00 0.00 175.10 175.41 1suh n THR 63 N 1.01 0.64 -4.28 5.32 -2.24 0.46 -0.86 114.28 114.33 1suh n THR 63 Ca -0.19 -0.52 -0.18 0.00 -2.27 0.00 0.00 64.05 60.89 1suh n THR 63 Cb 0.53 -0.36 -0.15 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.59 0.69 1.00 -0.78 -0.21 -1.19 -4.86 119.66 111.72 1suh s GLN 64 Ca -0.07 -0.24 -0.11 0.00 0.02 0.00 0.00 55.36 54.96 1suh s GLN 64 Cb 0.06 -0.67 0.20 0.00 1.00 0.00 0.00 33.01 33.60 1suh s GLN 64 CO 0.60 0.11 1.10 -1.25 -2.12 0.00 0.00 175.29 173.74 1suh s PRO 65 N 0.06 0.32 0.61 2.91 0.04 -1.26 -4.94 135.00 132.74 1suh s PRO 65 Ca -0.01 1.30 -0.02 0.00 0.04 0.00 0.00 61.00 62.32 1suh s PRO 65 Cb -0.06 -1.66 0.05 0.00 0.04 0.00 0.00 34.50 32.86 1suh s PRO 65 CO -0.00 -3.03 0.87 -0.51 0.04 0.00 0.00 177.00 174.37 1suh s LEU 66 N -6.83 3.09 -0.32 -3.56 1.43 -1.18 -4.84 118.68 106.47 1suh s LEU 66 Ca 0.67 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.91 1suh s LEU 66 Cb -0.24 -2.94 0.11 0.00 0.03 0.00 0.00 46.19 43.15 1suh s LEU 66 CO 0.60 -1.33 0.14 -0.62 0.23 0.00 0.00 176.35 175.37 1suh s ASP 67 N -4.47 3.66 0.52 2.29 -1.08 -1.26 -2.24 116.67 114.09 1suh s ASP 67 Ca 0.59 -1.66 0.35 0.00 -0.52 0.00 0.00 52.55 51.31 1suh s ASP 67 Cb -0.10 -0.61 1.84 0.00 -1.46 0.00 0.00 42.92 42.58 1suh s ASP 67 CO 0.41 -0.40 2.07 -0.09 0.52 0.00 0.00 175.17 177.68 1suh h ARG 68 N 7.95 0.00 0.00 4.34 2.43 -1.97 0.15 114.38 127.28 1suh h ARG 68 Ca -0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1suh h ARG 68 Cb 1.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1suh h ARG 68 CO 0.43 0.00 0.00 0.93 -1.51 0.00 0.00 179.97 179.82 1suh h GLU 69 N 0.00 0.00 0.00 0.20 4.39 -2.02 -3.36 114.58 113.79 1suh h GLU 69 Ca 0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 1suh h GLU 69 Cb 0.09 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1suh h GLU 69 CO 0.00 0.00 -1.49 0.00 -1.16 0.00 0.00 179.01 176.36 1suh n ALA 70 N -1.89 2.28 -3.65 3.43 0.00 -0.04 -5.01 120.51 115.63 1suh n ALA 70 Ca 0.04 -0.35 -0.21 0.00 0.00 0.00 0.00 53.44 52.92 1suh n ALA 70 Cb 0.38 0.37 -0.17 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.16 -0.14 -2.37 0.00 1.01 0.32 -4.99 121.20 112.87 1suh s ILE 71 Ca -0.12 0.24 0.24 0.00 0.00 0.00 0.00 60.65 61.02 1suh s ILE 71 Cb 0.04 -0.30 0.51 0.00 0.01 0.00 0.00 42.46 42.72 1suh s ILE 71 CO 0.16 0.04 1.66 0.00 0.00 0.00 0.00 174.94 176.80 1suh n ALA 72 N 5.30 2.55 -3.64 9.38 0.00 -1.26 -3.95 120.51 128.89 1suh n ALA 72 Ca -0.04 -0.47 -0.02 0.00 0.00 0.00 0.00 53.44 52.90 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 -1.90 0.60 -0.16 0.00 2.20 -1.26 -0.59 119.74 118.63 1suh s LYS 73 Ca 0.35 1.39 -0.09 0.00 -0.36 0.00 0.00 55.97 57.26 1suh s LYS 73 Cb 0.19 0.71 -0.05 0.00 -1.51 0.00 0.00 37.83 37.18 1suh s LYS 73 CO 0.30 -0.19 0.16 0.71 -0.36 0.00 0.00 175.35 175.97 1suh s TYR 74 N 2.62 3.50 -0.14 4.03 1.51 0.16 -4.94 117.35 124.08 1suh s TYR 74 Ca -0.07 0.45 -0.06 0.00 -1.01 0.00 0.00 57.07 56.38 1suh s TYR 74 Cb -0.10 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 1suh s TYR 74 CO -0.19 0.47 0.06 0.42 -1.11 0.00 0.00 175.55 175.20 1suh s ILE 75 N -0.22 4.84 -0.03 2.71 -1.09 -1.26 -1.07 121.20 125.08 1suh s ILE 75 Ca 0.12 -0.03 0.02 0.00 -2.23 0.00 0.00 60.65 58.52 1suh s ILE 75 Cb -0.12 -3.13 0.01 0.00 -1.58 0.00 0.00 42.46 37.65 1suh s ILE 75 CO 0.01 0.53 -0.06 -0.22 -1.23 0.00 0.00 174.94 173.98 1suh s LEU 76 N -0.26 1.62 -0.14 2.97 2.96 -0.29 -4.37 118.68 121.16 1suh s LEU 76 Ca 0.08 -0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 53.78 1suh s LEU 76 Cb -0.12 -0.43 -0.04 0.00 0.50 0.00 0.00 46.19 46.10 1suh s LEU 76 CO 0.01 0.01 0.15 -0.31 -1.32 0.00 0.00 176.35 174.89 1suh s TYR 77 N 0.46 3.54 0.13 5.38 1.51 -0.36 0.59 117.35 128.61 1suh s TYR 77 Ca -0.06 0.49 0.03 0.00 -1.01 0.00 0.00 57.07 56.52 1suh s TYR 77 Cb -0.10 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 1suh s TYR 77 CO 0.00 0.59 -0.08 -1.54 -1.11 0.00 0.00 175.55 173.41 1suh s SER 78 N -0.57 1.51 0.11 2.29 1.04 0.45 -0.08 113.70 118.45 1suh s SER 78 Ca 0.13 -1.03 0.08 0.00 0.48 0.00 0.00 55.95 55.61 1suh s SER 78 Cb -0.12 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 1suh s SER 78 CO 0.02 -0.40 -0.19 -1.00 0.98 0.00 0.00 173.24 172.65 1suh s HIS 79 N -3.46 1.69 0.04 5.02 3.76 -0.44 -3.05 115.29 118.84 1suh s HIS 79 Ca 0.16 -0.44 0.07 0.00 -0.15 0.00 0.00 55.06 54.70 1suh s HIS 79 Cb 0.04 -0.91 -0.02 0.00 1.11 0.00 0.00 32.58 32.79 1suh s HIS 79 CO -0.01 0.20 -0.21 0.00 -0.85 0.00 0.00 174.74 173.87 1suh s ALA 80 N -1.34 1.76 -0.02 -1.40 0.00 -1.26 -0.15 121.76 119.36 1suh s ALA 80 Ca 0.06 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 1suh s ALA 80 Cb -0.09 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.70 1suh s ALA 80 CO 0.04 0.40 0.03 0.14 0.00 0.00 0.00 175.76 176.37 1suh s VAL 81 N -0.76 -0.05 0.16 0.00 -7.23 -0.34 0.30 120.40 112.47 1suh s VAL 81 Ca 0.08 0.20 -0.31 0.00 -1.81 0.00 0.00 61.98 60.13 1suh s VAL 81 Cb -0.09 -0.08 -0.10 0.00 0.56 0.00 0.00 36.38 36.67 1suh s VAL 81 CO 0.01 0.08 1.66 -0.94 -0.31 0.00 0.00 175.10 175.60 1suh s SER 82 N 0.98 6.51 0.00 4.85 1.04 0.17 0.07 113.70 127.33 1suh s SER 82 Ca -0.08 2.69 0.00 0.00 0.48 0.00 0.00 55.95 59.03 1suh s SER 82 Cb -0.12 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.42 1suh s SER 82 CO -0.03 -0.90 0.20 -1.20 0.98 0.00 0.00 173.24 172.29 1suh n SER 83 N 4.45 0.00 -0.05 7.02 7.64 -0.30 -0.76 113.62 131.62 1suh n SER 83 Ca 0.15 -0.02 0.11 0.00 1.01 0.00 0.00 58.87 60.12 1suh n SER 83 Cb 0.38 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.56 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 -0.69 0.99 0.00 6.43 0.23 -1.26 -4.93 115.26 116.02 1suh n ASN 84 Ca 0.00 -0.88 0.00 0.00 -0.53 0.00 0.00 54.58 53.17 1suh n ASN 84 Cb 0.00 0.77 0.00 0.00 -2.08 0.00 0.00 39.78 38.47 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 1.49 0.89 3.55 4.83 0.00 0.06 -5.09 105.19 110.92 1suh n GLY 85 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.43 3.83 0.04 1.61 0.41 -1.20 -4.96 118.70 118.00 1suh s GLU 86 Ca 0.00 -0.40 -0.31 0.00 -0.41 0.00 0.00 54.97 53.85 1suh s GLU 86 Cb 0.00 -3.32 -0.06 0.00 -1.78 0.00 0.00 34.13 28.97 1suh s GLU 86 CO 0.00 0.01 1.37 0.00 -0.49 0.00 0.00 175.26 176.15 1suh s ALA 87 N 1.10 3.56 -0.15 5.21 0.00 -1.26 0.46 121.76 130.68 1suh s ALA 87 Ca 0.05 0.94 0.18 0.00 0.00 0.00 0.00 51.96 53.13 1suh s ALA 87 Cb -0.14 -3.56 0.45 0.00 0.00 0.00 0.00 23.12 19.87 1suh s ALA 87 CO 0.04 -0.76 1.18 1.33 0.00 0.00 0.00 175.76 177.54 1suh n VAL 88 N 4.35 1.25 -2.80 0.00 0.24 -0.68 -4.80 118.33 115.90 1suh n VAL 88 Ca 0.12 -2.48 -0.36 0.00 -2.04 0.00 0.00 64.34 59.59 1suh n VAL 88 Cb 0.44 0.38 -0.07 0.00 -1.47 0.00 0.00 33.84 33.12 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 -2.17 4.46 -0.00 7.34 4.04 0.89 -4.37 118.70 128.88 1suh s GLU 89 Ca 0.36 1.25 -0.08 0.00 0.04 0.00 0.00 54.97 56.54 1suh s GLU 89 Cb 0.37 -2.58 0.01 0.00 0.02 0.00 0.00 34.13 31.95 1suh s GLU 89 CO -0.09 0.17 0.16 -0.51 -1.84 0.00 0.00 175.26 173.16 1suh s ASP 90 N -1.81 -0.02 -0.82 0.83 1.01 -1.26 -4.77 116.67 109.82 1suh s ASP 90 Ca 0.54 -0.13 -0.20 0.00 0.71 0.00 0.00 52.55 53.47 1suh s ASP 90 Cb -0.15 0.23 -0.19 0.00 1.01 0.00 0.00 42.92 43.82 1suh s ASP 90 CO 0.20 -0.36 2.16 -2.65 0.21 0.00 0.00 175.17 174.73 1suh n PRO 91 N 1.53 0.28 -3.72 8.23 -0.01 -1.26 -4.64 135.00 135.41 1suh n PRO 91 Ca -0.22 -0.78 -0.37 0.00 -0.01 0.00 0.00 63.50 62.12 1suh n PRO 91 Cb 0.56 -2.93 -0.12 0.00 -0.01 0.00 0.00 33.50 31.00 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 8.07 3.79 -0.36 -0.52 -1.94 -1.17 -5.00 119.30 122.17 1suh s MET 92 Ca 0.90 -0.41 -0.10 0.00 -1.71 0.00 0.00 55.69 54.37 1suh s MET 92 Cb -0.25 -3.43 0.02 0.00 2.01 0.00 0.00 34.83 33.18 1suh s MET 92 CO 0.20 -0.14 0.19 -1.21 -0.01 0.00 0.00 175.02 174.05 1suh s GLU 93 N 1.54 2.88 -0.13 2.03 2.02 -1.26 -0.41 118.70 125.37 1suh s GLU 93 Ca 0.06 -1.04 -0.22 0.00 0.02 0.00 0.00 54.97 53.80 1suh s GLU 93 Cb -0.15 -3.68 -0.03 0.00 0.10 0.00 0.00 34.13 30.36 1suh s GLU 93 CO 0.06 -0.66 0.65 0.42 0.02 0.00 0.00 175.26 175.75 1suh s ILE 94 N 1.55 5.05 -0.29 -1.63 1.01 0.20 -4.91 121.20 122.18 1suh s ILE 94 Ca 0.02 1.28 -0.11 0.00 0.00 0.00 0.00 60.65 61.85 1suh s ILE 94 Cb -0.19 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 1suh s ILE 94 CO 0.06 0.20 0.18 -0.69 0.00 0.00 0.00 174.94 174.69 1suh s VAL 95 N 1.25 5.06 -0.26 2.92 1.01 -1.12 -1.14 120.40 128.13 1suh s VAL 95 Ca 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 1suh s VAL 95 Cb -0.16 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1suh s VAL 95 CO 0.14 0.19 -0.06 -0.63 0.00 0.00 0.00 175.10 174.73 1suh s ILE 96 N 1.71 2.78 0.27 2.22 1.01 -0.23 -1.24 121.20 127.72 1suh s ILE 96 Ca 0.06 -1.16 -0.10 0.00 0.00 0.00 0.00 60.65 59.45 1suh s ILE 96 Cb -0.16 -2.46 -0.07 0.00 0.01 0.00 0.00 42.46 39.77 1suh s ILE 96 CO 0.09 0.13 0.61 0.28 0.00 0.00 0.00 174.94 176.05 1suh s THR 97 N 1.28 4.87 0.06 2.92 -1.32 0.69 0.39 115.64 124.54 1suh s THR 97 Ca -0.02 0.54 -0.20 0.00 -1.21 0.00 0.00 61.69 60.80 1suh s THR 97 Cb -0.17 -3.64 -0.06 0.00 -1.51 0.00 0.00 72.50 67.12 1suh s THR 97 CO -0.04 -0.16 0.59 -0.69 -2.21 0.00 0.00 174.62 172.11 1suh s VAL 98 N -1.93 4.76 -0.15 5.08 1.01 0.24 -0.74 120.40 128.67 1suh s VAL 98 Ca 0.49 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.76 1suh s VAL 98 Cb -0.11 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.36 1suh s VAL 98 CO 0.22 0.51 -0.21 -0.89 0.00 0.00 0.00 175.10 174.73 1suh s THR 99 N -0.85 2.03 0.92 3.92 2.01 -0.20 -4.87 115.64 118.61 1suh s THR 99 Ca 0.30 -0.96 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 1suh s THR 99 Cb -0.19 -1.81 0.11 0.00 0.01 0.00 0.00 72.50 70.62 1suh s THR 99 CO 0.19 0.54 0.94 -0.90 -0.69 0.00 0.00 174.62 174.70 1suh n ASP 100 N 4.19 -0.33 0.00 3.53 5.75 -1.26 -1.86 116.55 126.57 1suh n ASP 100 Ca -0.20 0.40 0.00 0.00 -0.01 0.00 0.00 54.79 54.98 1suh n ASP 100 Cb 0.51 -1.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.20 1suh n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1suh n GLN 101 N -3.47 3.86 -3.44 0.11 1.13 -1.26 -4.70 117.38 109.61 1suh n GLN 101 Ca 0.11 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.90 1suh n GLN 101 Cb 0.52 -0.45 -0.09 0.00 0.11 0.00 0.00 30.24 30.33 1suh n GLN 101 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1suh n ASN 102 N -0.26 1.55 0.00 1.08 4.13 -1.26 -4.77 115.26 115.73 1suh n ASN 102 Ca 0.00 -2.92 0.00 0.00 1.68 0.00 0.00 54.58 53.34 1suh n ASN 102 Cb 0.00 -0.65 0.00 0.00 -1.54 0.00 0.00 39.78 37.59 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 1.69 0.00 -0.55 6.41 2.03 -1.26 -5.20 116.55 119.68 1suh n ASP 103 Ca 0.25 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.70 1suh n ASP 103 Cb 0.45 0.00 0.47 0.00 -0.72 0.00 0.00 41.12 41.32 1suh n ASP 103 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87