#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 2.47 -0.41 -0.67 0.52 -1.26 -4.79 118.94 114.79 1suh s TRP 2 Ca 0.00 -0.74 0.08 0.00 0.02 0.00 0.00 56.10 55.46 1suh s TRP 2 Cb 0.00 -4.63 0.18 0.00 -1.15 0.00 0.00 33.47 27.87 1suh s TRP 2 CO 0.00 -1.90 0.63 0.08 0.02 0.00 0.00 176.95 175.78 1suh s VAL 3 N 5.54 -0.98 -0.39 4.03 1.01 -1.26 -4.32 120.40 124.04 1suh s VAL 3 Ca 0.50 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.43 1suh s VAL 3 Cb -0.00 -0.02 0.16 0.00 0.00 0.00 0.00 36.38 36.51 1suh s VAL 3 CO -0.07 -0.02 0.34 -0.51 0.00 0.00 0.00 175.10 174.85 1suh s ILE 4 N 1.79 -0.07 0.16 2.22 2.07 -1.26 -5.00 121.20 121.11 1suh s ILE 4 Ca 0.17 -1.65 -0.12 0.00 -1.41 0.00 0.00 60.65 57.64 1suh s ILE 4 Cb -0.04 -0.90 0.04 0.00 0.13 0.00 0.00 42.46 41.69 1suh s ILE 4 CO -0.07 -0.84 1.67 -0.65 -1.91 0.00 0.00 174.94 173.15 1suh h PRO 5 N 6.50 0.86 -6.66 3.50 0.11 -1.93 -3.44 132.00 130.94 1suh h PRO 5 Ca 0.11 -0.20 -0.52 0.00 0.11 0.00 0.00 66.00 65.50 1suh h PRO 5 Cb 1.00 -0.11 0.03 0.00 0.11 0.00 0.00 31.00 32.02 1suh h PRO 5 CO 0.25 0.80 0.62 -1.25 -0.21 0.00 0.00 178.00 178.21 1suh s PRO 6 N -5.32 4.42 0.15 1.05 0.04 -1.26 -1.44 135.00 132.65 1suh s PRO 6 Ca -0.13 1.98 -0.01 0.00 0.04 0.00 0.00 61.00 62.89 1suh s PRO 6 Cb 0.12 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 1suh s PRO 6 CO 0.80 -0.20 0.06 0.42 0.04 0.00 0.00 177.00 178.13 1suh s ILE 7 N 0.12 0.17 -0.03 0.56 -1.09 0.11 -4.95 121.20 116.08 1suh s ILE 7 Ca 0.56 -1.94 0.03 0.00 -2.23 0.00 0.00 60.65 57.06 1suh s ILE 7 Cb -0.35 -2.16 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 1suh s ILE 7 CO 0.37 -0.36 -0.11 -0.94 -1.23 0.00 0.00 174.94 172.67 1suh s SER 8 N -3.09 1.42 -0.11 3.58 1.04 -1.26 -0.42 113.70 114.87 1suh s SER 8 Ca 0.27 -0.23 -0.03 0.00 0.48 0.00 0.00 55.95 56.44 1suh s SER 8 Cb 0.07 -0.43 0.05 0.00 0.10 0.00 0.00 66.02 65.80 1suh s SER 8 CO 0.04 0.07 0.08 0.00 0.98 0.00 0.00 173.24 174.42 1suh s PRO 10 N 2.17 -0.52 0.21 0.00 0.04 -1.26 -3.40 135.00 132.23 1suh s PRO 10 Ca 0.04 0.62 0.09 0.00 0.04 0.00 0.00 61.00 61.79 1suh s PRO 10 Cb -0.14 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 1suh s PRO 10 CO -0.06 -3.40 -0.05 -1.83 0.04 0.00 0.00 177.00 171.70 1suh s GLU 11 N -4.71 2.20 -0.78 4.56 -1.05 -1.26 -3.21 118.70 114.45 1suh s GLU 11 Ca 0.67 -1.30 -0.03 0.00 -0.15 0.00 0.00 54.97 54.16 1suh s GLU 11 Cb -0.22 -2.19 0.01 0.00 -0.44 0.00 0.00 34.13 31.29 1suh s GLU 11 CO 0.61 0.41 0.62 0.09 0.95 0.00 0.00 175.26 177.95 1suh n ASN 12 N -0.32 -5.32 -2.05 0.83 3.02 -1.12 -4.79 115.26 105.50 1suh n ASN 12 Ca -0.09 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1suh n ASN 12 Cb 0.57 -2.19 0.00 0.00 -0.61 0.00 0.00 39.78 37.54 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 -2.29 0.97 -3.84 3.52 -0.58 -1.26 -5.05 120.64 112.11 1suh n GLU 13 Ca -0.26 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.37 1suh n GLU 13 Cb 0.67 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.43 1suh n GLU 13 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1suh s LYS 14 N -0.84 0.45 0.00 3.49 -2.85 -1.26 -5.03 119.74 113.69 1suh s LYS 14 Ca 0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 55.97 54.78 1suh s LYS 14 Cb 0.00 0.19 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 1suh s LYS 14 CO 0.00 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 175.76 1suh n GLY 15 N 1.83 0.64 3.61 0.59 0.00 -1.26 -5.01 105.19 105.59 1suh n GLY 15 Ca -0.20 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.18 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 -0.72 3.95 0.59 1.61 2.02 -1.26 -5.00 118.70 119.89 1suh s GLU 16 Ca 0.00 0.50 -0.16 0.00 0.02 0.00 0.00 54.97 55.33 1suh s GLU 16 Cb 0.00 -3.73 -0.04 0.00 0.10 0.00 0.00 34.13 30.47 1suh s GLU 16 CO 0.00 -0.64 1.06 -0.06 0.02 0.00 0.00 175.26 175.65 1suh s PHE 17 N 2.83 2.95 0.41 1.61 0.08 -1.26 -4.08 117.98 120.51 1suh s PHE 17 Ca 0.30 1.52 -0.24 0.00 0.12 0.00 0.00 56.93 58.63 1suh s PHE 17 Cb -0.14 -3.04 -0.08 0.00 -0.57 0.00 0.00 43.02 39.19 1suh s PHE 17 CO 0.12 -1.16 1.12 -1.25 -0.10 0.00 0.00 175.22 173.95 1suh s PRO 18 N -3.99 4.07 -0.19 0.24 0.04 -1.26 -5.08 135.00 128.83 1suh s PRO 18 Ca 0.64 1.69 -0.09 0.00 0.04 0.00 0.00 61.00 63.29 1suh s PRO 18 Cb -0.17 -2.59 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 1suh s PRO 18 CO 0.36 -0.27 0.10 0.21 0.04 0.00 0.00 177.00 177.44 1suh s LYS 19 N -2.41 4.08 0.78 4.56 2.20 0.51 -4.82 119.74 124.63 1suh s LYS 19 Ca 0.58 -0.28 -0.12 0.00 -0.36 0.00 0.00 55.97 55.78 1suh s LYS 19 Cb -0.27 -3.32 0.07 0.00 -1.51 0.00 0.00 37.83 32.80 1suh s LYS 19 CO 0.33 0.27 1.13 -0.80 -0.36 0.00 0.00 175.35 175.93 1suh s ASN 20 N 0.41 4.11 0.05 1.43 0.02 -1.26 -0.73 114.94 118.97 1suh s ASN 20 Ca 0.06 2.07 0.00 0.00 -1.02 0.00 0.00 52.86 53.96 1suh s ASN 20 Cb -0.12 -2.55 0.00 0.00 0.02 0.00 0.00 41.25 38.60 1suh s ASN 20 CO -0.01 -2.31 0.00 0.18 0.02 0.00 0.00 177.10 174.99 1suh n LEU 21 N -3.35 0.11 -3.43 0.60 4.77 0.12 -4.81 117.00 111.01 1suh n LEU 21 Ca 0.11 0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 56.06 1suh n LEU 21 Cb 0.52 0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1suh n LEU 21 CO 0.50 -0.57 0.43 0.54 -1.33 0.00 0.00 177.39 176.95 1suh s VAL 22 N -1.26 0.00 0.24 4.08 0.11 -1.06 -4.98 120.40 117.53 1suh s VAL 22 Ca 0.00 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.83 1suh s VAL 22 Cb 0.00 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.76 1suh s VAL 22 CO 0.00 0.00 0.79 -1.58 -3.33 0.00 0.00 175.10 170.98 1suh s GLN 23 N -3.65 4.39 0.42 1.54 0.74 -1.26 0.13 119.66 121.97 1suh s GLN 23 Ca 0.01 1.03 0.08 0.00 0.05 0.00 0.00 55.36 56.53 1suh s GLN 23 Cb -0.01 -2.91 0.01 0.00 1.10 0.00 0.00 33.01 31.20 1suh s GLN 23 CO -0.12 0.39 0.57 0.42 -0.55 0.00 0.00 175.29 176.00 1suh s ILE 24 N -1.49 3.04 -0.05 -2.34 1.01 -0.27 -4.88 121.20 116.22 1suh s ILE 24 Ca 0.44 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 60.12 1suh s ILE 24 Cb -0.18 -3.02 0.01 0.00 0.01 0.00 0.00 42.46 39.28 1suh s ILE 24 CO 0.22 -0.01 -0.11 -0.54 0.00 0.00 0.00 174.94 174.50 1suh s LYS 25 N -4.35 1.47 0.00 2.79 1.02 -1.26 -4.93 119.74 114.48 1suh s LYS 25 Ca 0.55 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.15 1suh s LYS 25 Cb -0.10 -1.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.95 1suh s LYS 25 CO 0.33 0.07 0.00 0.45 -0.92 0.00 0.00 175.35 175.28 1suh n SER 26 N 3.63 0.00 0.00 2.83 2.88 -1.26 -4.59 113.62 117.11 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 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 0.00 -3.46 4.05 -1.26 -4.28 115.26 110.31 1suh n ASN 27 Ca 0.00 0.00 0.01 0.00 0.45 0.00 0.00 54.58 55.04 1suh n ASN 27 Cb 0.00 0.28 0.08 0.00 1.23 0.00 0.00 39.78 41.37 1suh n ASN 27 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1suh n ARG 28 N -2.35 0.60 0.00 1.20 5.12 -1.26 -3.80 116.66 116.18 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 -1.07 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 -0.57 0.25 -0.08 0.55 5.75 -1.26 -1.60 116.55 119.59 1suh n ASP 29 Ca 0.02 -0.55 0.04 0.00 -0.01 0.00 0.00 54.79 54.28 1suh n ASP 29 Cb 0.01 -0.12 -0.03 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 0.26 3.41 -0.11 0.11 4.76 -1.25 -4.69 118.16 120.66 1suh n LYS 30 Ca 0.00 -0.24 -0.17 0.00 -2.87 0.00 0.00 58.31 55.03 1suh n LYS 30 Cb 0.06 -0.95 -0.10 0.00 -1.84 0.00 0.00 35.03 32.21 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 -0.80 0.54 -3.49 1.97 0.28 -0.63 -5.07 120.64 113.44 1suh n GLU 31 Ca 0.02 0.14 -0.11 0.00 -0.16 0.00 0.00 57.16 57.06 1suh n GLU 31 Cb 0.15 -1.42 -0.02 0.00 1.43 0.00 0.00 31.44 31.58 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 -2.44 0.00 -0.39 3.84 -1.32 -1.25 -5.08 115.64 109.00 1suh s THR 32 Ca -0.30 -0.15 -0.38 0.00 -1.21 0.00 0.00 61.69 59.65 1suh s THR 32 Cb 0.09 -1.15 -0.14 0.00 -1.51 0.00 0.00 72.50 69.79 1suh s THR 32 CO 0.49 0.00 2.17 1.17 -2.21 0.00 0.00 174.62 176.24 1suh n LYS 33 N -0.38 0.76 -3.74 7.08 4.81 -1.26 -4.70 118.16 120.74 1suh n LYS 33 Ca -0.14 0.21 -0.36 0.00 -0.87 0.00 0.00 58.31 57.14 1suh n LYS 33 Cb 0.64 -2.17 -0.07 0.00 0.02 0.00 0.00 35.03 33.44 1suh n LYS 33 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1suh s VAL 34 N 6.87 5.41 0.18 3.15 0.11 -1.26 -0.66 120.40 134.20 1suh s VAL 34 Ca 1.12 0.28 0.02 0.00 -2.93 0.00 0.00 61.98 60.48 1suh s VAL 34 Cb -1.05 -3.48 -0.04 0.00 -1.53 0.00 0.00 36.38 30.28 1suh s VAL 34 CO 0.54 0.49 0.32 -0.36 -3.33 0.00 0.00 175.10 172.76 1suh s PHE 35 N -0.11 3.48 0.37 1.54 0.40 0.18 -4.84 117.98 118.99 1suh s PHE 35 Ca 0.12 0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.65 1suh s PHE 35 Cb -0.12 -1.68 -0.00 0.00 0.51 0.00 0.00 43.02 41.73 1suh s PHE 35 CO 0.01 0.48 0.52 0.71 0.70 0.00 0.00 175.22 177.64 1suh s TYR 36 N -1.81 3.02 -0.28 0.36 2.02 0.55 -1.36 117.35 119.85 1suh s TYR 36 Ca 0.35 -0.25 -0.21 0.00 -0.37 0.00 0.00 57.07 56.59 1suh s TYR 36 Cb -0.11 -2.14 0.08 0.00 -0.40 0.00 0.00 41.96 39.39 1suh s TYR 36 CO 0.29 -0.17 0.73 -1.12 -1.57 0.00 0.00 175.55 173.71 1suh s SER 37 N -4.24 -0.81 0.05 2.29 0.01 -0.43 -4.22 113.70 106.36 1suh s SER 37 Ca 0.48 1.42 0.03 0.00 1.31 0.00 0.00 55.95 59.20 1suh s SER 37 Cb -0.10 1.39 -0.03 0.00 0.21 0.00 0.00 66.02 67.50 1suh s SER 37 CO 0.32 -0.24 -0.10 -0.51 0.41 0.00 0.00 173.24 173.13 1suh s ILE 38 N 0.95 0.71 0.13 1.44 -1.16 -1.26 -0.04 121.20 121.98 1suh s ILE 38 Ca -0.04 -1.19 -0.20 0.00 -0.51 0.00 0.00 60.65 58.71 1suh s ILE 38 Cb -0.05 -0.79 0.05 0.00 0.61 0.00 0.00 42.46 42.28 1suh s ILE 38 CO -0.09 -0.36 0.50 0.28 -2.81 0.00 0.00 174.94 172.46 1suh s THR 39 N -1.45 0.03 -2.11 4.00 -1.32 0.14 -4.92 115.64 110.02 1suh s THR 39 Ca -0.07 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 1suh s THR 39 Cb -0.09 -1.07 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 1suh s THR 39 CO 0.01 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 172.87 1suh n GLY 40 N -0.22 0.67 3.49 6.08 0.00 -1.26 -1.09 105.19 112.86 1suh n GLY 40 Ca -0.17 -2.15 -0.46 0.00 0.00 0.00 0.00 46.02 43.24 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 -0.46 1.12 0.00 1.61 10.64 -1.26 -0.63 117.38 128.40 1suh n GLN 41 Ca 0.00 0.26 0.00 0.00 -1.83 0.00 0.00 57.00 55.43 1suh n GLN 41 Cb 0.00 -2.66 0.00 0.00 -0.86 0.00 0.00 30.24 26.72 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 6.35 1.28 0.70 2.61 0.00 -0.11 -4.73 105.19 111.29 1suh n GLY 42 Ca 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 2.20 -0.01 4.61 0.00 0.20 0.26 120.51 127.76 1suh n ALA 43 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 53.44 53.19 1suh n ALA 43 Cb 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 19.45 19.56 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 -3.63 3.93 -4.92 0.00 5.68 -1.09 -1.48 116.55 115.04 1suh n ASP 44 Ca -0.04 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 53.94 1suh n ASP 44 Cb 0.16 1.04 -0.04 0.00 -1.14 0.00 0.00 41.12 41.14 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 -2.26 3.44 0.15 0.11 3.01 -1.02 -4.70 119.74 118.47 1suh s LYS 45 Ca -0.02 -0.45 -0.32 0.00 -1.01 0.00 0.00 55.97 54.17 1suh s LYS 45 Cb 0.03 -3.03 -0.12 0.00 -1.01 0.00 0.00 37.83 33.70 1suh s LYS 45 CO 0.19 0.60 1.77 -0.35 0.51 0.00 0.00 175.35 178.06 1suh n PRO 46 N 0.18 2.68 -2.04 -1.68 -0.04 -1.26 -1.22 135.00 131.63 1suh n PRO 46 Ca -0.05 0.97 -0.42 0.00 -0.04 0.00 0.00 63.50 63.96 1suh n PRO 46 Cb 0.51 -2.83 -0.03 0.00 -0.04 0.00 0.00 33.50 31.12 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 1.98 4.19 0.06 0.54 0.04 -1.26 -4.55 135.00 135.99 1suh s PRO 47 Ca 0.79 2.15 -0.29 0.00 0.04 0.00 0.00 61.00 63.70 1suh s PRO 47 Cb -0.52 -3.97 -0.05 0.00 0.04 0.00 0.00 34.50 30.00 1suh s PRO 47 CO 0.36 -0.83 0.92 0.54 0.04 0.00 0.00 177.00 178.03 1suh s VAL 48 N 3.99 4.69 -0.06 -0.36 0.11 -0.70 -0.93 120.40 127.13 1suh s VAL 48 Ca 0.72 1.96 -0.01 0.00 -2.93 0.00 0.00 61.98 61.72 1suh s VAL 48 Cb -0.32 -4.27 0.00 0.00 -1.53 0.00 0.00 36.38 30.25 1suh s VAL 48 CO 0.28 0.27 0.04 0.61 -3.33 0.00 0.00 175.10 172.98 1suh n GLY 49 N 2.53 -2.17 0.00 6.54 0.00 -0.55 -4.90 105.19 106.64 1suh n GLY 49 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.11 0.00 -5.23 1.61 0.31 0.71 -4.79 118.33 110.84 1suh n VAL 50 Ca 0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.03 1suh n VAL 50 Cb 0.03 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 32.80 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 2.32 -0.03 3.52 0.40 0.12 -0.13 117.98 123.18 1suh s PHE 51 Ca 0.00 -0.62 -0.01 0.00 -0.60 0.00 0.00 56.93 55.70 1suh s PHE 51 Cb 0.00 -1.52 0.03 0.00 0.51 0.00 0.00 43.02 42.04 1suh s PHE 51 CO 0.00 -0.17 0.06 0.96 0.70 0.00 0.00 175.22 176.77 1suh s ILE 52 N -0.26 -0.08 0.04 0.64 -4.36 0.60 -4.54 121.20 113.24 1suh s ILE 52 Ca -0.00 0.27 0.01 0.00 -0.26 0.00 0.00 60.65 60.67 1suh s ILE 52 Cb -0.12 -0.13 -0.04 0.00 1.25 0.00 0.00 42.46 43.42 1suh s ILE 52 CO 0.02 0.11 0.09 -0.51 0.24 0.00 0.00 174.94 174.89 1suh s ILE 53 N 1.38 4.68 -0.82 8.37 2.07 -1.26 -0.14 121.20 135.48 1suh s ILE 53 Ca -0.05 -0.58 -0.26 0.00 -1.41 0.00 0.00 60.65 58.34 1suh s ILE 53 Cb -0.13 -3.21 0.02 0.00 0.13 0.00 0.00 42.46 39.28 1suh s ILE 53 CO -0.04 0.22 1.44 -0.70 -1.91 0.00 0.00 174.94 173.96 1suh s GLU 54 N -2.12 3.20 0.63 3.50 2.56 0.10 -4.82 118.70 121.75 1suh s GLU 54 Ca 0.27 -0.40 0.20 0.00 0.00 0.00 0.00 54.97 55.04 1suh s GLU 54 Cb -0.12 -4.60 0.89 0.00 2.00 0.00 0.00 34.13 32.29 1suh s GLU 54 CO 0.19 -2.31 1.45 -0.09 -0.56 0.00 0.00 175.26 173.93 1suh h ARG 55 N 10.62 0.00 0.00 4.30 2.43 -1.90 0.74 114.38 130.56 1suh h ARG 55 Ca -0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1suh h ARG 55 Cb 1.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1suh h ARG 55 CO 1.31 0.00 -0.08 0.39 -1.51 0.00 0.00 179.97 180.08 1suh n GLU 56 N -3.03 0.07 0.15 0.20 1.02 -1.26 -0.33 120.64 117.45 1suh n GLU 56 Ca 0.08 0.29 0.03 0.00 -0.02 0.00 0.00 57.16 57.54 1suh n GLU 56 Cb 0.98 -0.89 0.05 0.00 -0.02 0.00 0.00 31.44 31.55 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 -0.16 0.83 0.00 2.62 1.35 -1.89 -3.43 112.91 112.24 1suh h THR 57 Ca 0.00 -2.14 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 1suh h THR 57 Cb 0.08 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1suh h THR 57 CO 0.00 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 1suh n GLY 58 N 1.17 0.78 3.63 5.82 0.00 0.25 -4.79 105.19 112.06 1suh n GLY 58 Ca 0.02 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 2.30 -0.21 1.61 0.52 -1.25 -1.11 118.94 118.81 1suh s TRP 59 Ca 0.00 0.66 -0.29 0.00 0.02 0.00 0.00 56.10 56.49 1suh s TRP 59 Cb 0.00 -3.96 0.01 0.00 -1.15 0.00 0.00 33.47 28.36 1suh s TRP 59 CO 0.00 -2.51 1.04 -1.17 0.02 0.00 0.00 176.95 174.33 1suh s LEU 60 N 4.93 4.13 0.24 2.99 0.20 0.12 -0.72 118.68 130.57 1suh s LEU 60 Ca 0.66 1.41 0.09 0.00 0.69 0.00 0.00 54.13 56.99 1suh s LEU 60 Cb -0.22 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 41.95 1suh s LEU 60 CO 0.27 -0.63 -0.15 -0.54 -0.29 0.00 0.00 176.35 175.01 1suh s LYS 61 N 2.97 1.49 -0.00 1.98 1.02 0.80 0.16 119.74 128.16 1suh s LYS 61 Ca 0.45 -1.68 0.06 0.00 0.02 0.00 0.00 55.97 54.82 1suh s LYS 61 Cb -0.16 -1.37 -0.02 0.00 -0.52 0.00 0.00 37.83 35.76 1suh s LYS 61 CO 0.08 0.22 -0.20 0.14 -0.92 0.00 0.00 175.35 174.68 1suh s VAL 62 N -2.80 1.55 -0.27 3.17 -7.23 0.09 -0.30 120.40 114.62 1suh s VAL 62 Ca 0.26 -0.91 0.23 0.00 -1.81 0.00 0.00 61.98 59.74 1suh s VAL 62 Cb -0.02 -1.31 0.04 0.00 0.56 0.00 0.00 36.38 35.65 1suh s VAL 62 CO 0.11 0.37 1.11 0.71 -0.31 0.00 0.00 175.10 177.09 1suh h THR 63 N 4.59 0.00 -3.26 5.32 1.35 -0.85 0.14 112.91 120.20 1suh h THR 63 Ca -0.39 -0.99 -0.19 0.00 -0.55 0.00 0.00 66.41 64.29 1suh h THR 63 Cb 1.15 1.54 -0.27 0.00 -1.73 0.00 0.00 68.15 68.84 1suh h THR 63 CO 0.47 0.00 -0.52 -1.10 -0.25 0.00 0.00 175.52 174.12 1suh s GLN 64 N -3.34 0.19 1.02 4.72 -0.21 -1.18 -4.76 119.66 116.09 1suh s GLN 64 Ca 0.00 0.30 -0.11 0.00 0.02 0.00 0.00 55.36 55.57 1suh s GLN 64 Cb 0.09 0.03 0.20 0.00 1.00 0.00 0.00 33.01 34.34 1suh s GLN 64 CO 0.78 -0.06 1.09 -0.35 -2.12 0.00 0.00 175.29 174.62 1suh n PRO 65 N 3.31 -1.22 -2.41 2.91 -0.04 -1.26 -4.89 135.00 131.40 1suh n PRO 65 Ca -0.16 -0.30 -0.24 0.00 -0.04 0.00 0.00 63.50 62.76 1suh n PRO 65 Cb 0.57 -2.29 0.06 0.00 -0.04 0.00 0.00 33.50 31.79 1suh n PRO 65 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1suh s LEU 66 N -6.77 3.03 -0.23 1.53 1.43 -1.20 -4.70 118.68 111.78 1suh s LEU 66 Ca 0.67 0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 53.95 1suh s LEU 66 Cb -0.24 -2.95 0.12 0.00 0.03 0.00 0.00 46.19 43.15 1suh s LEU 66 CO 0.61 -1.41 0.30 -0.62 0.23 0.00 0.00 176.35 175.46 1suh s ASP 67 N -4.49 0.90 0.36 2.29 -1.08 -1.26 -2.78 116.67 110.62 1suh s ASP 67 Ca 0.59 -0.09 0.08 0.00 -0.52 0.00 0.00 52.55 52.61 1suh s ASP 67 Cb -0.10 0.72 0.80 0.00 -1.46 0.00 0.00 42.92 42.88 1suh s ASP 67 CO 0.42 -0.32 1.91 0.03 0.52 0.00 0.00 175.17 177.73 1suh h ARG 68 N 8.25 0.68 -0.90 4.34 3.08 -1.92 0.19 114.38 128.09 1suh h ARG 68 Ca -0.18 -0.04 0.26 0.00 0.07 0.00 0.00 59.98 60.10 1suh h ARG 68 Cb 1.15 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.01 1suh h ARG 68 CO 0.28 0.45 0.72 0.93 -1.07 0.00 0.00 179.97 181.28 1suh h GLU 69 N 0.70 0.00 0.00 0.04 4.39 -2.03 -2.73 114.58 114.95 1suh h GLU 69 Ca 0.38 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.74 1suh h GLU 69 Cb 0.53 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 1suh h GLU 69 CO -0.15 0.00 -2.13 0.00 -1.16 0.00 0.00 179.01 175.57 1suh n ALA 70 N -2.62 1.45 -3.50 3.43 0.00 0.40 -5.03 120.51 114.64 1suh n ALA 70 Ca 0.19 -0.90 -0.12 0.00 0.00 0.00 0.00 53.44 52.61 1suh n ALA 70 Cb 1.03 0.18 -0.11 0.00 0.00 0.00 0.00 19.45 20.55 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 -2.47 -0.02 -1.82 0.00 1.01 0.37 -5.01 121.20 113.26 1suh s ILE 71 Ca -0.32 0.06 0.24 0.00 0.00 0.00 0.00 60.65 60.63 1suh s ILE 71 Cb 0.11 -0.53 0.05 0.00 0.01 0.00 0.00 42.46 42.10 1suh s ILE 71 CO 0.41 0.02 1.22 0.00 0.00 0.00 0.00 174.94 176.59 1suh n ALA 72 N 3.64 3.55 -3.66 9.38 0.00 -1.26 -3.53 120.51 128.63 1suh n ALA 72 Ca -0.19 -0.56 -0.07 0.00 0.00 0.00 0.00 53.44 52.62 1suh n ALA 72 Cb 0.56 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 19.03 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 -2.55 0.41 -0.16 0.00 2.20 -1.26 -0.24 119.74 118.13 1suh s LYS 73 Ca 0.19 1.12 -0.08 0.00 -0.36 0.00 0.00 55.97 56.83 1suh s LYS 73 Cb 0.18 0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 36.87 1suh s LYS 73 CO 0.59 -0.22 0.14 0.71 -0.36 0.00 0.00 175.35 176.20 1suh s TYR 74 N 2.50 3.51 -0.37 4.03 1.51 0.11 -4.95 117.35 123.70 1suh s TYR 74 Ca -0.04 0.44 -0.10 0.00 -1.01 0.00 0.00 57.07 56.36 1suh s TYR 74 Cb -0.11 -2.04 0.04 0.00 -0.11 0.00 0.00 41.96 39.73 1suh s TYR 74 CO -0.15 0.53 0.19 0.42 -1.11 0.00 0.00 175.55 175.44 1suh s ILE 75 N -0.39 4.38 0.32 2.71 -1.09 -1.26 -0.82 121.20 125.04 1suh s ILE 75 Ca 0.12 -0.99 0.08 0.00 -2.23 0.00 0.00 60.65 57.63 1suh s ILE 75 Cb -0.12 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1suh s ILE 75 CO 0.01 -0.26 0.16 -0.76 -1.23 0.00 0.00 174.94 172.86 1suh s LEU 76 N 1.51 3.40 -0.10 2.97 2.01 0.02 -4.26 118.68 124.23 1suh s LEU 76 Ca 0.01 -0.63 0.03 0.00 0.01 0.00 0.00 54.13 53.56 1suh s LEU 76 Cb -0.20 -1.92 0.01 0.00 0.01 0.00 0.00 46.19 44.09 1suh s LEU 76 CO 0.05 -0.24 -0.20 -0.31 1.01 0.00 0.00 176.35 176.67 1suh s TYR 77 N -2.35 2.23 0.21 0.29 1.51 -0.25 0.44 117.35 119.42 1suh s TYR 77 Ca 0.37 -0.94 0.08 0.00 -1.01 0.00 0.00 57.07 55.56 1suh s TYR 77 Cb -0.04 -1.53 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 1suh s TYR 77 CO 0.23 -0.42 0.03 -1.54 -1.11 0.00 0.00 175.55 172.75 1suh s SER 78 N 0.56 4.87 0.01 2.29 1.04 0.29 -0.68 113.70 122.08 1suh s SER 78 Ca -0.15 -0.42 -0.01 0.00 0.48 0.00 0.00 55.95 55.85 1suh s SER 78 Cb -0.17 -1.06 -0.01 0.00 0.10 0.00 0.00 66.02 64.88 1suh s SER 78 CO 0.05 0.05 0.01 -1.00 0.98 0.00 0.00 173.24 173.33 1suh s HIS 79 N -1.92 0.16 -0.00 5.02 3.76 0.95 -3.04 115.29 120.21 1suh s HIS 79 Ca 0.29 -0.32 0.04 0.00 -0.15 0.00 0.00 55.06 54.92 1suh s HIS 79 Cb -0.08 -0.12 -0.03 0.00 1.11 0.00 0.00 32.58 33.45 1suh s HIS 79 CO 0.20 -0.16 -0.12 0.00 -0.85 0.00 0.00 174.74 173.81 1suh s ALA 80 N -1.07 2.80 -0.01 -1.40 0.00 -1.26 -1.31 121.76 119.52 1suh s ALA 80 Ca -0.12 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1suh s ALA 80 Cb -0.07 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.08 1suh s ALA 80 CO -0.00 0.59 0.00 0.14 0.00 0.00 0.00 175.76 176.49 1suh s VAL 81 N -0.90 0.04 0.32 0.00 -7.23 -0.46 0.29 120.40 112.45 1suh s VAL 81 Ca 0.15 0.05 -0.29 0.00 -1.81 0.00 0.00 61.98 60.08 1suh s VAL 81 Cb -0.11 -0.09 -0.10 0.00 0.56 0.00 0.00 36.38 36.64 1suh s VAL 81 CO 0.05 0.05 1.38 -0.94 -0.31 0.00 0.00 175.10 175.33 1suh s SER 82 N 0.42 6.65 0.00 4.85 1.04 0.34 0.48 113.70 127.47 1suh s SER 82 Ca -0.04 2.76 0.00 0.00 0.48 0.00 0.00 55.95 59.16 1suh s SER 82 Cb -0.06 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1suh s SER 82 CO -0.01 -0.65 0.25 -1.54 0.98 0.00 0.00 173.24 172.27 1suh n SER 83 N 1.07 0.00 -0.01 7.02 3.41 0.17 -0.78 113.62 124.51 1suh n SER 83 Ca 0.02 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.70 1suh n SER 83 Cb 0.41 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.72 1.57 0.00 4.04 6.94 -1.26 -4.99 115.26 120.85 1suh n ASN 84 Ca 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.51 1suh n ASN 84 Cb 0.00 1.64 0.00 0.00 -2.36 0.00 0.00 39.78 39.06 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 1.64 1.43 3.77 4.83 0.00 0.04 -5.12 105.19 111.80 1suh n GLY 85 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 3.99 -0.01 1.61 0.41 -1.24 -4.92 118.70 118.53 1suh s GLU 86 Ca 0.00 -0.14 -0.30 0.00 -0.41 0.00 0.00 54.97 54.11 1suh s GLU 86 Cb 0.00 -3.35 -0.05 0.00 -1.78 0.00 0.00 34.13 28.94 1suh s GLU 86 CO 0.00 0.43 1.44 0.00 -0.49 0.00 0.00 175.26 176.64 1suh s ALA 87 N -0.03 3.60 0.00 5.21 0.00 -1.26 -0.50 121.76 128.77 1suh s ALA 87 Ca 0.11 0.89 0.13 0.00 0.00 0.00 0.00 51.96 53.09 1suh s ALA 87 Cb -0.12 -3.62 0.22 0.00 0.00 0.00 0.00 23.12 19.60 1suh s ALA 87 CO 0.01 -0.99 1.08 1.55 0.00 0.00 0.00 175.76 177.40 1suh n VAL 88 N 4.79 0.00 -2.73 0.00 3.14 -0.95 -4.87 118.33 117.71 1suh n VAL 88 Ca 0.14 -0.51 -0.33 0.00 -2.96 0.00 0.00 64.34 60.68 1suh n VAL 88 Cb 0.43 0.74 -0.06 0.00 -1.06 0.00 0.00 33.84 33.89 1suh n VAL 88 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1suh s GLU 89 N 0.00 4.14 -0.01 1.45 -1.05 0.82 -4.38 118.70 119.67 1suh s GLU 89 Ca 0.17 1.12 0.01 0.00 -0.15 0.00 0.00 54.97 56.12 1suh s GLU 89 Cb 0.20 -2.16 0.01 0.00 -0.44 0.00 0.00 34.13 31.73 1suh s GLU 89 CO -0.09 -0.11 -0.02 -0.51 0.95 0.00 0.00 175.26 175.49 1suh s ASP 90 N -2.28 0.36 -0.53 0.83 1.01 -1.26 -4.73 116.67 110.07 1suh s ASP 90 Ca 0.62 -0.04 -0.30 0.00 0.71 0.00 0.00 52.55 53.54 1suh s ASP 90 Cb -0.10 -0.11 -0.11 0.00 1.01 0.00 0.00 42.92 43.61 1suh s ASP 90 CO 0.16 -0.02 2.39 -2.65 0.21 0.00 0.00 175.17 175.26 1suh n PRO 91 N 3.47 0.91 -3.94 8.23 -0.02 -1.26 -4.56 135.00 137.82 1suh n PRO 91 Ca -0.18 0.13 -0.29 0.00 -2.02 0.00 0.00 63.50 61.14 1suh n PRO 91 Cb 0.55 -2.71 -0.16 0.00 -0.02 0.00 0.00 33.50 31.16 1suh n PRO 91 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1suh s MET 92 N 7.63 1.75 -0.36 -0.52 -1.94 -1.17 -5.02 119.30 119.66 1suh s MET 92 Ca 1.10 -0.57 -0.24 0.00 -1.71 0.00 0.00 55.69 54.27 1suh s MET 92 Cb -0.63 -2.07 0.01 0.00 2.01 0.00 0.00 34.83 34.15 1suh s MET 92 CO 0.39 -0.37 0.81 -1.83 -0.01 0.00 0.00 175.02 174.00 1suh s GLU 93 N 1.56 3.76 -0.19 2.03 -1.05 -1.26 -0.54 118.70 123.01 1suh s GLU 93 Ca 0.02 0.35 -0.15 0.00 -0.15 0.00 0.00 54.97 55.04 1suh s GLU 93 Cb -0.15 -3.81 -0.04 0.00 -0.44 0.00 0.00 34.13 29.69 1suh s GLU 93 CO -0.08 -0.87 0.36 0.42 0.95 0.00 0.00 175.26 176.04 1suh s ILE 94 N 3.16 5.24 -0.27 1.83 1.01 0.17 -4.91 121.20 127.42 1suh s ILE 94 Ca 0.32 0.64 -0.11 0.00 0.00 0.00 0.00 60.65 61.51 1suh s ILE 94 Cb -0.13 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 1suh s ILE 94 CO 0.17 0.30 0.18 -0.69 0.00 0.00 0.00 174.94 174.90 1suh s VAL 95 N 1.02 5.31 -0.25 2.92 1.01 -0.52 -0.80 120.40 129.09 1suh s VAL 95 Ca 0.18 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1suh s VAL 95 Cb -0.14 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.76 1suh s VAL 95 CO 0.07 0.27 -0.07 -0.63 0.00 0.00 0.00 175.10 174.74 1suh s ILE 96 N 1.62 2.68 0.23 2.22 1.01 -0.00 0.10 121.20 129.05 1suh s ILE 96 Ca 0.07 -1.20 -0.11 0.00 0.00 0.00 0.00 60.65 59.41 1suh s ILE 96 Cb -0.15 -2.42 -0.07 0.00 0.01 0.00 0.00 42.46 39.82 1suh s ILE 96 CO 0.10 0.13 0.58 0.28 0.00 0.00 0.00 174.94 176.03 1suh s THR 97 N 1.26 4.88 -0.13 2.92 -1.32 0.44 0.10 115.64 123.79 1suh s THR 97 Ca -0.02 0.61 -0.04 0.00 -1.21 0.00 0.00 61.69 61.03 1suh s THR 97 Cb -0.18 -3.64 -0.03 0.00 -1.51 0.00 0.00 72.50 67.14 1suh s THR 97 CO -0.05 -0.03 0.02 -0.69 -2.21 0.00 0.00 174.62 171.66 1suh s VAL 98 N -1.78 4.44 0.19 5.08 1.01 0.67 -1.02 120.40 128.99 1suh s VAL 98 Ca 0.47 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 1suh s VAL 98 Cb -0.12 -2.93 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 1suh s VAL 98 CO 0.20 0.53 0.53 0.42 0.00 0.00 0.00 175.10 176.79 1suh s THR 99 N -0.21 4.94 0.02 3.92 -4.23 -1.22 -4.89 115.64 113.97 1suh s THR 99 Ca 0.06 0.54 -0.19 0.00 -1.18 0.00 0.00 61.69 60.92 1suh s THR 99 Cb -0.12 -3.65 -0.06 0.00 1.34 0.00 0.00 72.50 70.01 1suh s THR 99 CO 0.02 0.04 0.54 1.51 -0.54 0.00 0.00 174.62 176.19 1suh s ASP 100 N -2.16 6.95 0.00 3.99 -4.77 -1.26 -4.03 116.67 115.40 1suh s ASP 100 Ca 0.44 1.13 0.00 0.00 -3.30 0.00 0.00 52.55 50.82 1suh s ASP 100 Cb -0.12 -2.33 0.00 0.00 -1.09 0.00 0.00 42.92 39.37 1suh s ASP 100 CO 0.21 0.21 0.00 0.00 0.70 0.00 0.00 175.17 176.28 1suh n GLN 101 N 2.22 0.00 -2.86 2.11 1.13 -1.26 -5.04 117.38 113.68 1suh n GLN 101 Ca -0.10 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 54.90 1suh n GLN 101 Cb 0.51 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.86 1suh n GLN 101 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1suh s ASN 102 N -0.74 -1.16 1.19 1.08 3.84 -1.26 -5.15 114.94 112.74 1suh s ASN 102 Ca 0.00 -1.80 -0.20 0.00 0.21 0.00 0.00 52.86 51.08 1suh s ASN 102 Cb 0.00 1.67 0.28 0.00 -0.55 0.00 0.00 41.25 42.66 1suh s ASN 102 CO 0.00 -0.07 1.15 -0.62 -2.79 0.00 0.00 177.10 174.77 1suh s ASP 103 N 0.87 1.09 0.00 -4.21 2.15 -1.26 -5.22 116.67 110.09 1suh s ASP 103 Ca 0.29 0.49 0.00 0.00 0.43 0.00 0.00 52.55 53.77 1suh s ASP 103 Cb -0.00 -0.64 0.00 0.00 -0.30 0.00 0.00 42.92 41.98 1suh s ASP 103 CO -0.06 -4.00 0.49 0.59 -0.17 0.00 0.00 175.17 172.01