#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 2.51 -0.41 2.11 0.52 -1.26 -4.82 118.94 117.58 1suh s TRP 2 Ca 0.00 -0.81 0.07 0.00 0.02 0.00 0.00 56.10 55.38 1suh s TRP 2 Cb 0.00 -4.68 0.17 0.00 -1.15 0.00 0.00 33.47 27.82 1suh s TRP 2 CO 0.00 -1.93 0.57 0.08 0.02 0.00 0.00 176.95 175.69 1suh s VAL 3 N 5.16 -0.80 -0.43 4.03 1.01 -1.26 -3.93 120.40 124.18 1suh s VAL 3 Ca 0.47 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.12 1suh s VAL 3 Cb -0.00 -0.20 0.18 0.00 0.00 0.00 0.00 36.38 36.36 1suh s VAL 3 CO -0.09 -0.18 0.67 -0.51 0.00 0.00 0.00 175.10 174.99 1suh s ILE 4 N 1.62 -0.96 0.21 2.22 1.10 -1.26 -5.03 121.20 119.10 1suh s ILE 4 Ca 0.18 -0.19 -0.09 0.00 -0.51 0.00 0.00 60.65 60.04 1suh s ILE 4 Cb -0.07 0.00 0.17 0.00 0.15 0.00 0.00 42.46 42.71 1suh s ILE 4 CO -0.06 0.00 1.83 -0.65 -2.11 0.00 0.00 174.94 173.95 1suh h PRO 5 N 6.54 1.13 -6.89 3.50 0.11 -1.92 -3.44 132.00 131.04 1suh h PRO 5 Ca 0.05 -0.14 -0.52 0.00 0.11 0.00 0.00 66.00 65.50 1suh h PRO 5 Cb 1.17 -0.22 0.05 0.00 0.11 0.00 0.00 31.00 32.12 1suh h PRO 5 CO 0.07 0.85 0.57 -1.25 -0.21 0.00 0.00 178.00 178.03 1suh s PRO 6 N -5.80 4.28 0.20 1.05 0.05 -1.26 -2.67 135.00 130.85 1suh s PRO 6 Ca -0.13 2.03 -0.03 0.00 0.05 0.00 0.00 61.00 62.92 1suh s PRO 6 Cb 0.16 -2.95 -0.03 0.00 0.05 0.00 0.00 34.50 31.72 1suh s PRO 6 CO 0.81 -0.18 0.19 0.42 0.05 0.00 0.00 177.00 178.30 1suh s ILE 7 N -1.23 0.01 -0.03 0.56 -1.09 0.84 -4.92 121.20 115.33 1suh s ILE 7 Ca 0.51 -1.87 0.03 0.00 -2.23 0.00 0.00 60.65 57.09 1suh s ILE 7 Cb -0.36 -2.40 0.00 0.00 -1.58 0.00 0.00 42.46 38.12 1suh s ILE 7 CO 0.46 -0.03 -0.11 -0.94 -1.23 0.00 0.00 174.94 173.09 1suh s SER 8 N -3.12 1.47 -0.18 3.58 1.04 -1.26 -0.66 113.70 114.57 1suh s SER 8 Ca 0.35 -0.23 -0.04 0.00 0.48 0.00 0.00 55.95 56.51 1suh s SER 8 Cb 0.06 -0.40 0.06 0.00 0.10 0.00 0.00 66.02 65.84 1suh s SER 8 CO 0.11 0.09 0.06 0.00 0.98 0.00 0.00 173.24 174.48 1suh s PRO 10 N 1.99 1.24 0.30 0.00 0.02 -1.26 -3.16 135.00 134.13 1suh s PRO 10 Ca 0.01 1.37 0.06 0.00 0.02 0.00 0.00 61.00 62.46 1suh s PRO 10 Cb -0.16 -1.77 -0.02 0.00 0.02 0.00 0.00 34.50 32.57 1suh s PRO 10 CO -0.08 -2.42 0.43 -1.83 -0.33 0.00 0.00 177.00 172.77 1suh s GLU 11 N -4.72 3.25 -1.25 5.54 1.03 -1.21 -3.12 118.70 118.21 1suh s GLU 11 Ca 0.65 -0.90 -0.24 0.00 0.03 0.00 0.00 54.97 54.50 1suh s GLU 11 Cb -0.21 -2.84 0.02 0.00 -0.80 0.00 0.00 34.13 30.30 1suh s GLU 11 CO 0.58 0.20 0.61 0.09 -1.33 0.00 0.00 175.26 175.41 1suh n ASN 12 N -1.56 -3.51 -4.80 0.83 3.02 -1.14 -4.74 115.26 103.36 1suh n ASN 12 Ca -0.04 -1.20 -0.34 0.00 -0.03 0.00 0.00 54.58 52.97 1suh n ASN 12 Cb 0.58 -2.21 -0.05 0.00 -0.61 0.00 0.00 39.78 37.49 1suh n ASN 12 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1suh s GLU 13 N -7.00 4.07 0.62 3.52 2.12 -1.26 -5.05 118.70 115.72 1suh s GLU 13 Ca 0.39 1.28 -0.02 0.00 0.36 0.00 0.00 54.97 56.98 1suh s GLU 13 Cb -0.19 -2.23 0.05 0.00 0.26 0.00 0.00 34.13 32.01 1suh s GLU 13 CO 0.94 -0.18 0.88 -1.59 -0.54 0.00 0.00 175.26 174.76 1suh s LYS 14 N -3.04 2.39 0.00 4.30 -2.85 -1.26 -4.94 119.74 114.33 1suh s LYS 14 Ca 0.63 -0.56 0.00 0.00 -1.00 0.00 0.00 55.97 55.03 1suh s LYS 14 Cb -0.14 -2.35 0.00 0.00 -2.06 0.00 0.00 37.83 33.28 1suh s LYS 14 CO 0.18 -0.94 0.00 0.41 0.10 0.00 0.00 175.35 175.10 1suh n GLY 15 N -2.59 2.20 3.67 0.59 0.00 -1.26 -4.95 105.19 102.85 1suh n GLY 15 Ca 0.08 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.83 4.31 0.54 1.61 -1.05 -1.26 -4.99 118.70 115.04 1suh s GLU 16 Ca 0.00 1.35 -0.18 0.00 -0.15 0.00 0.00 54.97 55.99 1suh s GLU 16 Cb 0.00 -3.61 -0.06 0.00 -0.44 0.00 0.00 34.13 30.02 1suh s GLU 16 CO 0.00 -0.52 1.04 -0.06 0.95 0.00 0.00 175.26 176.67 1suh s PHE 17 N 2.78 3.04 0.72 4.83 0.08 -1.26 -4.20 117.98 123.96 1suh s PHE 17 Ca 0.45 1.53 -0.12 0.00 0.12 0.00 0.00 56.93 58.91 1suh s PHE 17 Cb -0.16 -3.01 0.03 0.00 -0.57 0.00 0.00 43.02 39.31 1suh s PHE 17 CO 0.10 -0.93 1.09 -1.25 -0.10 0.00 0.00 175.22 174.13 1suh s PRO 18 N -3.76 2.57 0.04 0.24 0.04 -1.26 -5.07 135.00 127.80 1suh s PRO 18 Ca 0.64 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.90 1suh s PRO 18 Cb -0.15 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1suh s PRO 18 CO 0.30 -1.40 -0.06 0.21 0.04 0.00 0.00 177.00 176.08 1suh s LYS 19 N -4.65 0.51 0.24 4.56 2.20 -0.20 -4.94 119.74 117.47 1suh s LYS 19 Ca 0.62 -0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 55.15 1suh s LYS 19 Cb -0.18 -0.17 -0.09 0.00 -1.51 0.00 0.00 37.83 35.89 1suh s LYS 19 CO 0.51 0.01 1.09 -0.80 -0.36 0.00 0.00 175.35 175.80 1suh s ASN 20 N -1.73 7.30 -0.03 1.43 0.02 -1.26 -0.95 114.94 119.71 1suh s ASN 20 Ca -0.09 2.18 -0.05 0.00 -1.02 0.00 0.00 52.86 53.89 1suh s ASN 20 Cb -0.08 -2.62 -0.02 0.00 0.02 0.00 0.00 41.25 38.56 1suh s ASN 20 CO -0.01 -0.14 -0.09 0.18 0.02 0.00 0.00 177.10 177.06 1suh n LEU 21 N 1.62 0.69 -3.57 0.60 7.99 0.38 -4.91 117.00 119.80 1suh n LEU 21 Ca 0.00 0.11 -0.11 0.00 -0.01 0.00 0.00 56.01 56.00 1suh n LEU 21 Cb 0.45 -0.42 -0.04 0.00 -0.11 0.00 0.00 43.42 43.30 1suh n LEU 21 CO 0.54 -0.48 0.24 0.54 -1.51 0.00 0.00 177.39 176.71 1suh s VAL 22 N -1.67 0.05 0.36 4.08 0.11 -1.02 -5.00 120.40 117.31 1suh s VAL 22 Ca -0.08 -0.38 -0.24 0.00 -2.93 0.00 0.00 61.98 58.36 1suh s VAL 22 Cb 0.01 -1.10 -0.10 0.00 -1.53 0.00 0.00 36.38 33.66 1suh s VAL 22 CO 0.11 -0.21 0.93 -1.10 -3.33 0.00 0.00 175.10 171.50 1suh s GLN 23 N -3.62 4.42 0.41 1.54 -0.21 -1.26 0.19 119.66 121.14 1suh s GLN 23 Ca 0.01 1.21 0.04 0.00 0.02 0.00 0.00 55.36 56.63 1suh s GLN 23 Cb 0.01 -2.57 0.00 0.00 1.00 0.00 0.00 33.01 31.45 1suh s GLN 23 CO -0.11 0.17 0.60 0.42 -2.12 0.00 0.00 175.29 174.25 1suh s ILE 24 N -1.83 3.78 -0.02 1.08 -1.09 0.17 -4.81 121.20 118.49 1suh s ILE 24 Ca 0.54 -0.76 0.01 0.00 -2.23 0.00 0.00 60.65 58.21 1suh s ILE 24 Cb -0.15 -3.35 0.01 0.00 -1.58 0.00 0.00 42.46 37.39 1suh s ILE 24 CO 0.19 -0.19 -0.03 -0.54 -1.23 0.00 0.00 174.94 173.14 1suh s LYS 25 N -4.41 0.47 0.00 2.79 3.01 -1.26 -4.88 119.74 115.45 1suh s LYS 25 Ca 0.49 -0.08 0.00 0.00 -1.01 0.00 0.00 55.97 55.37 1suh s LYS 25 Cb -0.10 -0.51 0.00 0.00 -1.01 0.00 0.00 37.83 36.21 1suh s LYS 25 CO 0.35 -0.01 0.00 0.45 0.51 0.00 0.00 175.35 176.65 1suh n SER 26 N 3.57 0.00 0.10 2.83 2.88 -1.26 -4.72 113.62 117.02 1suh n SER 26 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1suh n SER 26 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 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 -1.72 0.00 -3.46 2.85 -1.25 -4.07 115.26 107.61 1suh n ASN 27 Ca 0.00 0.40 0.03 0.00 -0.11 0.00 0.00 54.58 54.90 1suh n ASN 27 Cb 0.00 1.84 0.17 0.00 1.24 0.00 0.00 39.78 43.03 1suh n ASN 27 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1suh n ARG 28 N -2.94 0.16 0.00 1.20 5.12 -1.26 -2.99 116.66 115.95 1suh n ARG 28 Ca 0.00 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1suh n ARG 28 Cb 0.00 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 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 -1.08 0.04 -0.32 0.55 5.75 -1.26 -1.51 116.55 118.72 1suh n ASP 29 Ca 0.04 -0.26 0.12 0.00 -0.01 0.00 0.00 54.79 54.69 1suh n ASP 29 Cb 0.03 -0.02 0.23 0.00 -1.03 0.00 0.00 41.12 40.32 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 -0.20 0.92 -0.01 0.11 5.02 -1.16 -4.41 118.16 118.43 1suh n LYS 30 Ca 0.00 -0.64 -0.01 0.00 -2.02 0.00 0.00 58.31 55.64 1suh n LYS 30 Cb 0.01 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.52 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 -0.48 1.21 -3.51 1.97 0.28 -0.57 -5.10 120.64 114.43 1suh n GLU 31 Ca 0.11 0.01 -0.16 0.00 -0.16 0.00 0.00 57.16 56.95 1suh n GLU 31 Cb 0.39 -1.04 -0.05 0.00 1.43 0.00 0.00 31.44 32.16 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 -2.04 0.00 -0.28 3.84 -1.32 -1.25 -5.09 115.64 109.49 1suh s THR 32 Ca -0.02 -0.04 -0.36 0.00 -1.21 0.00 0.00 61.69 60.06 1suh s THR 32 Cb 0.01 -0.99 -0.12 0.00 -1.51 0.00 0.00 72.50 69.89 1suh s THR 32 CO 0.05 -0.02 2.04 1.17 -2.21 0.00 0.00 174.62 175.66 1suh n LYS 33 N 0.62 1.31 -3.95 7.08 4.81 -1.26 -4.56 118.16 122.21 1suh n LYS 33 Ca -0.19 0.42 -0.32 0.00 -0.87 0.00 0.00 58.31 57.35 1suh n LYS 33 Cb 0.59 -2.43 -0.05 0.00 0.02 0.00 0.00 35.03 33.16 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 5.95 5.23 0.13 3.15 0.11 -1.26 -0.99 120.40 132.72 1suh s VAL 34 Ca 1.04 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.75 1suh s VAL 34 Cb -0.86 -3.49 -0.04 0.00 -1.53 0.00 0.00 36.38 30.46 1suh s VAL 34 CO 0.53 0.24 0.28 -0.36 -3.33 0.00 0.00 175.10 172.46 1suh s PHE 35 N -1.38 3.50 0.31 1.54 0.40 0.16 -4.81 117.98 117.68 1suh s PHE 35 Ca 0.30 0.25 0.06 0.00 -0.60 0.00 0.00 56.93 56.94 1suh s PHE 35 Cb -0.13 -1.77 -0.02 0.00 0.51 0.00 0.00 43.02 41.62 1suh s PHE 35 CO 0.22 0.51 0.42 0.71 0.70 0.00 0.00 175.22 177.78 1suh s TYR 36 N -1.67 3.19 -0.22 0.36 2.02 -0.16 -1.27 117.35 119.59 1suh s TYR 36 Ca 0.36 -0.17 -0.26 0.00 -0.37 0.00 0.00 57.07 56.63 1suh s TYR 36 Cb -0.12 -1.84 0.08 0.00 -0.40 0.00 0.00 41.96 39.67 1suh s TYR 36 CO 0.28 0.14 0.74 0.45 -1.57 0.00 0.00 175.55 175.60 1suh s SER 37 N -4.10 -0.70 0.04 2.29 0.15 -0.67 -4.40 113.70 106.31 1suh s SER 37 Ca 0.41 1.23 0.02 0.00 0.70 0.00 0.00 55.95 58.31 1suh s SER 37 Cb -0.09 1.20 -0.02 0.00 -1.71 0.00 0.00 66.02 65.40 1suh s SER 37 CO 0.30 -0.32 -0.07 -0.51 1.20 0.00 0.00 173.24 173.84 1suh s ILE 38 N 0.01 0.51 -0.07 6.45 -1.16 -1.26 -0.57 121.20 125.10 1suh s ILE 38 Ca -0.02 -1.11 -0.17 0.00 -0.51 0.00 0.00 60.65 58.84 1suh s ILE 38 Cb -0.04 -0.64 0.04 0.00 0.61 0.00 0.00 42.46 42.43 1suh s ILE 38 CO 0.02 -0.42 0.40 0.28 -2.81 0.00 0.00 174.94 172.41 1suh s THR 39 N -1.51 0.03 -5.00 4.00 -1.32 0.30 -4.87 115.64 107.27 1suh s THR 39 Ca -0.09 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.14 1suh s THR 39 Cb -0.09 -0.66 0.00 0.00 -1.51 0.00 0.00 72.50 70.24 1suh s THR 39 CO -0.00 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.88 1suh n GLY 40 N 1.77 0.98 3.59 6.08 0.00 -1.26 -1.27 105.19 115.08 1suh n GLY 40 Ca -0.18 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.47 1suh n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1suh n GLN 41 N -1.15 2.00 0.00 1.61 3.00 -1.26 -1.08 117.38 120.50 1suh n GLN 41 Ca 0.00 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 1suh n GLN 41 Cb 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 30.24 27.13 1suh n GLN 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1suh n GLY 42 N 5.64 1.72 1.00 1.08 0.00 -0.02 -4.78 105.19 109.82 1suh n GLY 42 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 2.97 -0.03 4.61 0.00 -0.24 0.23 120.51 128.06 1suh n ALA 43 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.44 1suh n ALA 43 Cb 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.62 2.27 -4.92 0.00 5.68 -1.07 -1.58 116.55 114.30 1suh n ASP 44 Ca -0.00 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 53.98 1suh n ASP 44 Cb 0.00 1.18 -0.04 0.00 -1.14 0.00 0.00 41.12 41.12 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 -2.56 3.44 0.12 0.11 1.02 -0.88 -4.68 119.74 116.31 1suh s LYS 45 Ca -0.05 -0.45 -0.33 0.00 0.02 0.00 0.00 55.97 55.16 1suh s LYS 45 Cb 0.06 -3.03 -0.13 0.00 -0.52 0.00 0.00 37.83 34.20 1suh s LYS 45 CO 0.48 0.60 1.68 -2.30 -0.92 0.00 0.00 175.35 174.89 1suh n PRO 46 N 0.23 2.32 -2.02 -1.68 -0.01 -1.26 -1.34 135.00 131.24 1suh n PRO 46 Ca -0.05 0.84 -0.42 0.00 -0.01 0.00 0.00 63.50 63.85 1suh n PRO 46 Cb 0.51 -2.65 -0.03 0.00 -0.01 0.00 0.00 33.50 31.33 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 1.66 4.09 -0.38 0.52 0.04 -1.26 -4.50 135.00 135.16 1suh s PRO 47 Ca 0.81 2.09 -0.28 0.00 0.04 0.00 0.00 61.00 63.66 1suh s PRO 47 Cb -0.63 -4.00 0.02 0.00 0.04 0.00 0.00 34.50 29.93 1suh s PRO 47 CO 0.39 -0.95 1.05 0.54 0.04 0.00 0.00 177.00 178.08 1suh s VAL 48 N 4.32 4.44 0.00 -0.36 0.11 -0.75 -0.84 120.40 127.32 1suh s VAL 48 Ca 0.73 1.42 0.00 0.00 -2.93 0.00 0.00 61.98 61.20 1suh s VAL 48 Cb -0.32 -4.45 0.00 0.00 -1.53 0.00 0.00 36.38 30.08 1suh s VAL 48 CO 0.29 -0.66 0.00 0.61 -3.33 0.00 0.00 175.10 172.01 1suh n GLY 49 N 4.32 0.25 0.19 6.54 0.00 -0.62 -4.90 105.19 110.97 1suh n GLY 49 Ca 0.11 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.00 0.00 -4.32 1.61 0.31 0.64 -4.91 118.33 111.65 1suh n VAL 50 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1suh n VAL 50 Cb 0.00 -0.02 -0.12 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 -1.10 2.49 -0.00 3.52 0.40 0.01 -0.67 117.98 122.62 1suh s PHE 51 Ca 0.00 -0.29 -0.00 0.00 -0.60 0.00 0.00 56.93 56.04 1suh s PHE 51 Cb 0.00 -1.32 -0.00 0.00 0.51 0.00 0.00 43.02 42.21 1suh s PHE 51 CO 0.00 0.38 0.01 0.96 0.70 0.00 0.00 175.22 177.27 1suh s ILE 52 N -1.15 0.01 0.11 0.64 -4.36 0.12 -4.66 121.20 111.91 1suh s ILE 52 Ca 0.17 -0.08 0.10 0.00 -0.26 0.00 0.00 60.65 60.59 1suh s ILE 52 Cb -0.10 -0.05 -0.04 0.00 1.25 0.00 0.00 42.46 43.52 1suh s ILE 52 CO 0.09 -0.04 -0.25 -0.51 0.24 0.00 0.00 174.94 174.47 1suh s ILE 53 N -0.13 2.36 -0.60 8.37 2.07 -1.26 0.28 121.20 132.29 1suh s ILE 53 Ca -0.01 -1.65 -0.25 0.00 -1.41 0.00 0.00 60.65 57.33 1suh s ILE 53 Cb -0.01 -2.03 0.05 0.00 0.13 0.00 0.00 42.46 40.59 1suh s ILE 53 CO -0.00 0.14 1.01 -0.70 -1.91 0.00 0.00 174.94 173.48 1suh s GLU 54 N -1.94 3.28 0.52 3.50 -6.30 0.16 -4.89 118.70 113.02 1suh s GLU 54 Ca 0.14 -0.34 0.38 0.00 -2.50 0.00 0.00 54.97 52.66 1suh s GLU 54 Cb -0.10 -4.10 1.55 0.00 0.00 0.00 0.00 34.13 31.47 1suh s GLU 54 CO 0.06 -1.66 1.70 -0.09 0.02 0.00 0.00 175.26 175.29 1suh h ARG 55 N 9.48 0.05 0.00 4.30 2.43 -1.90 1.03 114.38 129.77 1suh h ARG 55 Ca -0.27 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1suh h ARG 55 Cb 1.07 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1suh h ARG 55 CO 1.14 0.03 -0.34 0.39 -1.51 0.00 0.00 179.97 179.69 1suh n GLU 56 N -4.23 0.20 0.00 0.20 -0.58 -1.26 -0.99 120.64 113.98 1suh n GLU 56 Ca 0.34 0.18 0.01 0.00 -0.42 0.00 0.00 57.16 57.27 1suh n GLU 56 Cb 1.49 -0.97 0.09 0.00 -0.57 0.00 0.00 31.44 31.48 1suh n GLU 56 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1suh n THR 57 N -3.27 0.00 -0.88 2.62 -2.24 -1.19 -4.81 114.28 104.51 1suh n THR 57 Ca -0.05 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.68 1suh n THR 57 Cb 0.17 -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 0.47 0.46 3.62 3.38 0.00 0.36 -4.61 105.19 108.87 1suh n GLY 58 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.15 1.43 -0.50 1.61 0.52 -1.25 -0.65 118.94 118.95 1suh s TRP 59 Ca 0.00 0.28 -0.27 0.00 0.02 0.00 0.00 56.10 56.13 1suh s TRP 59 Cb 0.00 -4.04 0.03 0.00 -1.15 0.00 0.00 33.47 28.31 1suh s TRP 59 CO 0.00 -4.16 1.08 -1.17 0.02 0.00 0.00 176.95 172.72 1suh s LEU 60 N 6.57 3.73 0.28 2.99 0.20 0.13 -0.67 118.68 131.91 1suh s LEU 60 Ca 0.90 0.22 0.09 0.00 0.69 0.00 0.00 54.13 56.03 1suh s LEU 60 Cb -0.33 -3.31 -0.04 0.00 -0.43 0.00 0.00 46.19 42.08 1suh s LEU 60 CO 0.36 -1.25 0.01 -1.59 -0.29 0.00 0.00 176.35 173.58 1suh s LYS 61 N 4.34 2.29 0.05 1.98 -2.85 0.14 -0.47 119.74 125.21 1suh s LYS 61 Ca 0.42 -1.45 0.02 0.00 -1.00 0.00 0.00 55.97 53.97 1suh s LYS 61 Cb -0.08 -2.15 -0.03 0.00 -2.06 0.00 0.00 37.83 33.51 1suh s LYS 61 CO 0.28 0.33 -0.08 0.14 0.10 0.00 0.00 175.35 176.12 1suh s VAL 62 N -2.34 0.58 -0.12 1.79 -7.23 -0.13 0.14 120.40 113.08 1suh s VAL 62 Ca 0.32 -1.18 0.16 0.00 -1.81 0.00 0.00 61.98 59.47 1suh s VAL 62 Cb -0.06 -0.74 -0.11 0.00 0.56 0.00 0.00 36.38 36.03 1suh s VAL 62 CO 0.20 -0.43 0.92 0.71 -0.31 0.00 0.00 175.10 176.19 1suh h THR 63 N 4.33 0.57 -3.85 5.32 1.35 -1.21 -0.50 112.91 118.91 1suh h THR 63 Ca -0.36 -2.04 -0.42 0.00 -0.55 0.00 0.00 66.41 63.04 1suh h THR 63 Cb 1.20 2.10 -0.30 0.00 -1.73 0.00 0.00 68.15 69.41 1suh h THR 63 CO 0.43 0.32 -0.79 -1.10 -0.25 0.00 0.00 175.52 174.14 1suh s GLN 64 N -2.93 0.93 1.42 4.72 -0.21 -1.19 -4.61 119.66 117.78 1suh s GLN 64 Ca -0.02 -0.31 -0.24 0.00 0.02 0.00 0.00 55.36 54.82 1suh s GLN 64 Cb 0.09 -0.87 0.36 0.00 1.00 0.00 0.00 33.01 33.58 1suh s GLN 64 CO 0.80 0.13 0.96 -1.25 -2.12 0.00 0.00 175.29 173.80 1suh s PRO 65 N 0.13 -2.90 0.23 2.91 0.04 -1.26 -4.93 135.00 129.21 1suh s PRO 65 Ca -0.02 -0.00 -0.13 0.00 0.04 0.00 0.00 61.00 60.89 1suh s PRO 65 Cb -0.08 -1.39 -0.08 0.00 0.04 0.00 0.00 34.50 32.99 1suh s PRO 65 CO 0.00 -4.83 0.61 -0.51 0.04 0.00 0.00 177.00 172.32 1suh s LEU 66 N -7.77 4.20 -0.42 -3.56 2.01 -1.18 -4.84 118.68 107.12 1suh s LEU 66 Ca 0.69 1.09 0.02 0.00 0.01 0.00 0.00 54.13 55.95 1suh s LEU 66 Cb -0.11 -3.67 0.11 0.00 0.01 0.00 0.00 46.19 42.54 1suh s LEU 66 CO 0.57 -0.05 0.17 -0.62 1.01 0.00 0.00 176.35 177.42 1suh s ASP 67 N -2.11 4.83 0.58 2.29 -1.08 -1.26 -2.86 116.67 117.05 1suh s ASP 67 Ca 0.46 -2.38 0.28 0.00 -0.52 0.00 0.00 52.55 50.39 1suh s ASP 67 Cb -0.12 -1.70 1.66 0.00 -1.46 0.00 0.00 42.92 41.30 1suh s ASP 67 CO 0.20 -0.38 2.15 0.03 0.52 0.00 0.00 175.17 177.68 1suh h ARG 68 N 7.41 0.00 0.00 4.34 3.08 -1.97 0.25 114.38 127.49 1suh h ARG 68 Ca -0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1suh h ARG 68 Cb 0.99 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 1suh h ARG 68 CO 0.62 0.00 -0.04 0.93 -1.07 0.00 0.00 179.97 180.41 1suh h GLU 69 N 0.00 0.00 0.00 0.04 4.39 -2.03 -3.35 114.58 113.63 1suh h GLU 69 Ca 0.06 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.48 1suh h GLU 69 Cb 0.32 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 1suh h GLU 69 CO -0.00 0.04 -1.92 0.00 -1.16 0.00 0.00 179.01 175.97 1suh n ALA 70 N -2.11 1.09 -3.73 3.43 0.00 0.57 -5.01 120.51 114.75 1suh n ALA 70 Ca 0.02 -0.98 -0.13 0.00 0.00 0.00 0.00 53.44 52.35 1suh n ALA 70 Cb 0.43 0.10 -0.14 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.67 -0.06 -1.83 0.00 1.01 0.47 -5.01 121.20 113.11 1suh s ILE 71 Ca -0.35 0.17 0.26 0.00 0.00 0.00 0.00 60.65 60.73 1suh s ILE 71 Cb 0.10 -0.33 0.25 0.00 0.01 0.00 0.00 42.46 42.50 1suh s ILE 71 CO 0.46 0.07 1.52 0.00 0.00 0.00 0.00 174.94 176.99 1suh n ALA 72 N 4.29 3.10 -3.65 9.38 0.00 -1.26 -4.07 120.51 128.30 1suh n ALA 72 Ca -0.25 -0.43 -0.05 0.00 0.00 0.00 0.00 53.44 52.71 1suh n ALA 72 Cb 0.52 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.47 0.60 0.05 0.00 2.20 -1.26 -0.54 119.74 118.32 1suh s LYS 73 Ca 0.24 1.26 0.03 0.00 -0.36 0.00 0.00 55.97 57.14 1suh s LYS 73 Cb 0.19 0.42 -0.04 0.00 -1.51 0.00 0.00 37.83 36.89 1suh s LYS 73 CO 0.51 -0.18 0.04 0.71 -0.36 0.00 0.00 175.35 176.08 1suh s TYR 74 N 2.17 3.13 -0.12 4.03 1.51 0.69 -4.94 117.35 123.82 1suh s TYR 74 Ca -0.08 0.07 -0.02 0.00 -1.01 0.00 0.00 57.07 56.03 1suh s TYR 74 Cb -0.09 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.11 1suh s TYR 74 CO -0.18 0.50 -0.03 0.42 -1.11 0.00 0.00 175.55 175.15 1suh s ILE 75 N -1.27 4.03 0.02 2.71 1.01 -1.26 -0.77 121.20 125.66 1suh s ILE 75 Ca 0.25 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1suh s ILE 75 Cb -0.12 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 1suh s ILE 75 CO 0.17 0.55 -0.03 -0.22 0.00 0.00 0.00 174.94 175.42 1suh s LEU 76 N -0.29 2.17 -0.14 2.97 2.96 0.12 -4.25 118.68 122.22 1suh s LEU 76 Ca 0.05 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1suh s LEU 76 Cb -0.12 0.04 -0.02 0.00 0.50 0.00 0.00 46.19 46.59 1suh s LEU 76 CO 0.02 -0.20 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.46 1suh s TYR 77 N -1.01 2.93 0.21 5.38 1.51 -0.40 0.22 117.35 126.19 1suh s TYR 77 Ca -0.11 -0.45 0.10 0.00 -1.01 0.00 0.00 57.07 55.60 1suh s TYR 77 Cb -0.07 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 1suh s TYR 77 CO -0.01 -0.11 -0.14 -1.54 -1.11 0.00 0.00 175.55 172.65 1suh s SER 78 N 0.34 3.98 0.07 2.29 1.04 -0.08 -0.54 113.70 120.80 1suh s SER 78 Ca -0.07 -0.73 0.04 0.00 0.48 0.00 0.00 55.95 55.67 1suh s SER 78 Cb -0.15 -0.55 -0.03 0.00 0.10 0.00 0.00 66.02 65.39 1suh s SER 78 CO 0.04 0.09 -0.12 -1.00 0.98 0.00 0.00 173.24 173.23 1suh s HIS 79 N -1.88 1.05 -0.03 5.02 3.76 0.26 -3.21 115.29 120.26 1suh s HIS 79 Ca 0.25 -0.51 0.02 0.00 -0.15 0.00 0.00 55.06 54.67 1suh s HIS 79 Cb -0.08 -0.59 0.01 0.00 1.11 0.00 0.00 32.58 33.03 1suh s HIS 79 CO 0.14 0.01 -0.09 0.00 -0.85 0.00 0.00 174.74 173.96 1suh s ALA 80 N -1.55 0.89 -0.05 -1.40 0.00 -1.26 -1.67 121.76 116.72 1suh s ALA 80 Ca -0.02 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 51.66 1suh s ALA 80 Cb -0.08 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.68 1suh s ALA 80 CO 0.01 0.12 -0.12 0.14 0.00 0.00 0.00 175.76 175.91 1suh s VAL 81 N 0.35 1.09 0.25 0.00 -7.23 -0.40 0.28 120.40 114.74 1suh s VAL 81 Ca -0.06 -0.49 -0.31 0.00 -1.81 0.00 0.00 61.98 59.32 1suh s VAL 81 Cb -0.10 -0.98 -0.13 0.00 0.56 0.00 0.00 36.38 35.73 1suh s VAL 81 CO 0.01 0.34 1.44 -1.54 -0.31 0.00 0.00 175.10 175.03 1suh n SER 82 N 3.55 2.95 0.00 4.85 3.41 0.53 0.36 113.62 129.26 1suh n SER 82 Ca -0.21 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 1suh n SER 82 Cb 0.53 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 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 2.11 0.00 -0.00 4.04 2.88 -0.16 -1.09 113.62 121.39 1suh n SER 83 Ca 0.11 -0.07 0.03 0.00 -1.33 0.00 0.00 58.87 57.61 1suh n SER 83 Cb 0.33 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.74 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 -0.51 1.47 0.00 -3.46 6.94 -1.26 -4.99 115.26 113.44 1suh n ASN 84 Ca 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 54.58 54.15 1suh n ASN 84 Cb 0.00 1.11 0.00 0.00 -2.36 0.00 0.00 39.78 38.53 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 1.51 1.14 3.62 4.83 0.00 -0.25 -5.10 105.19 110.93 1suh n GLY 85 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 4.01 0.11 1.61 8.01 -1.25 -4.93 118.70 126.26 1suh s GLU 86 Ca 0.00 -0.22 -0.31 0.00 0.01 0.00 0.00 54.97 54.45 1suh s GLU 86 Cb 0.00 -3.62 -0.08 0.00 -4.31 0.00 0.00 34.13 26.12 1suh s GLU 86 CO 0.00 -0.12 1.47 0.00 0.01 0.00 0.00 175.26 176.62 1suh s ALA 87 N 1.58 3.66 -0.00 5.21 0.00 -1.26 -0.34 121.76 130.60 1suh s ALA 87 Ca 0.09 1.18 0.07 0.00 0.00 0.00 0.00 51.96 53.30 1suh s ALA 87 Cb -0.15 -3.59 0.11 0.00 0.00 0.00 0.00 23.12 19.50 1suh s ALA 87 CO 0.09 -0.74 1.05 1.33 0.00 0.00 0.00 175.76 177.48 1suh n VAL 88 N 4.11 0.07 -1.82 0.00 0.24 -0.88 -4.84 118.33 115.20 1suh n VAL 88 Ca 0.13 -0.32 -0.30 0.00 -2.04 0.00 0.00 64.34 61.80 1suh n VAL 88 Cb 0.41 0.60 0.04 0.00 -1.47 0.00 0.00 33.84 33.42 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 -0.10 2.98 -0.18 7.34 4.04 0.80 -4.56 118.70 129.02 1suh s GLU 89 Ca 0.09 0.59 -0.12 0.00 0.04 0.00 0.00 54.97 55.58 1suh s GLU 89 Cb 0.10 -2.02 0.06 0.00 0.02 0.00 0.00 34.13 32.28 1suh s GLU 89 CO -0.04 -0.98 0.44 -0.51 -1.84 0.00 0.00 175.26 172.34 1suh s ASP 90 N -4.22 -0.53 -0.85 0.83 1.01 -1.26 -4.79 116.67 106.85 1suh s ASP 90 Ca 0.58 0.94 -0.20 0.00 0.71 0.00 0.00 52.55 54.58 1suh s ASP 90 Cb -0.12 0.87 -0.20 0.00 1.01 0.00 0.00 42.92 44.48 1suh s ASP 90 CO 0.53 -0.18 2.27 -2.65 0.21 0.00 0.00 175.17 175.35 1suh n PRO 91 N 3.79 0.34 -4.29 8.23 -0.02 -1.26 -4.63 135.00 137.14 1suh n PRO 91 Ca -0.20 -0.61 -0.34 0.00 -2.02 0.00 0.00 63.50 60.33 1suh n PRO 91 Cb 0.56 -2.78 -0.14 0.00 -0.02 0.00 0.00 33.50 31.12 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 8.18 3.35 0.58 -0.52 -1.94 -1.20 -5.00 119.30 122.76 1suh s MET 92 Ca 1.02 -0.66 -0.12 0.00 -1.71 0.00 0.00 55.69 54.22 1suh s MET 92 Cb -0.35 -2.81 -0.05 0.00 2.01 0.00 0.00 34.83 33.63 1suh s MET 92 CO 0.24 -0.02 1.00 -1.83 -0.01 0.00 0.00 175.02 174.40 1suh s GLU 93 N 0.96 3.68 -0.07 2.03 -1.05 -1.26 -0.90 118.70 122.09 1suh s GLU 93 Ca -0.01 0.75 -0.01 0.00 -0.15 0.00 0.00 54.97 55.55 1suh s GLU 93 Cb -0.15 -2.12 0.03 0.00 -0.44 0.00 0.00 34.13 31.45 1suh s GLU 93 CO -0.01 -0.47 -0.02 0.42 0.95 0.00 0.00 175.26 176.14 1suh s ILE 94 N -3.01 0.47 -0.43 1.83 1.01 0.60 -4.84 121.20 116.84 1suh s ILE 94 Ca 0.55 0.02 -0.15 0.00 0.00 0.00 0.00 60.65 61.07 1suh s ILE 94 Cb -0.11 -0.58 0.03 0.00 0.01 0.00 0.00 42.46 41.82 1suh s ILE 94 CO 0.48 0.26 0.33 -0.69 0.00 0.00 0.00 174.94 175.31 1suh s VAL 95 N 1.62 5.25 -0.41 2.92 1.01 -1.09 -0.70 120.40 129.00 1suh s VAL 95 Ca -0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 1suh s VAL 95 Cb -0.13 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.30 1suh s VAL 95 CO -0.04 -0.38 0.28 -0.63 0.00 0.00 0.00 175.10 174.34 1suh s ILE 96 N 1.68 5.06 0.13 2.22 1.01 0.05 -0.11 121.20 131.23 1suh s ILE 96 Ca 0.05 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 1suh s ILE 96 Cb -0.20 -3.85 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 1suh s ILE 96 CO 0.09 -0.32 0.49 0.28 0.00 0.00 0.00 174.94 175.48 1suh s THR 97 N 1.64 4.96 -0.06 2.92 -1.32 0.17 -0.23 115.64 123.72 1suh s THR 97 Ca 0.04 0.64 -0.20 0.00 -1.21 0.00 0.00 61.69 60.96 1suh s THR 97 Cb -0.20 -3.69 -0.05 0.00 -1.51 0.00 0.00 72.50 67.06 1suh s THR 97 CO 0.09 0.23 0.55 -0.69 -2.21 0.00 0.00 174.62 172.59 1suh s VAL 98 N -1.47 5.06 0.01 5.08 1.01 0.30 -0.93 120.40 129.47 1suh s VAL 98 Ca 0.37 1.13 0.06 0.00 0.00 0.00 0.00 61.98 63.53 1suh s VAL 98 Cb -0.14 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1suh s VAL 98 CO 0.19 0.36 -0.17 -0.89 0.00 0.00 0.00 175.10 174.59 1suh s THR 99 N 0.26 2.87 1.11 3.92 2.01 -1.19 -4.92 115.64 119.70 1suh s THR 99 Ca 0.29 -1.05 -0.18 0.00 0.31 0.00 0.00 61.69 61.07 1suh s THR 99 Cb -0.17 -2.18 0.11 0.00 0.01 0.00 0.00 72.50 70.27 1suh s THR 99 CO 0.14 0.41 0.11 0.47 -0.69 0.00 0.00 174.62 175.06 1suh n ASP 100 N 1.77 -2.30 -0.00 3.53 9.92 -1.26 -3.34 116.55 124.86 1suh n ASP 100 Ca -0.16 -0.08 0.01 0.00 -0.53 0.00 0.00 54.79 54.02 1suh n ASP 100 Cb 0.52 -1.00 -0.01 0.00 -0.64 0.00 0.00 41.12 39.99 1suh n ASP 100 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1suh n GLN 101 N -2.22 2.39 -2.82 -1.24 0.00 -1.26 -4.69 117.38 107.53 1suh n GLN 101 Ca 0.01 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.00 56.93 1suh n GLN 101 Cb 0.61 -0.86 0.01 0.00 0.00 0.00 0.00 30.24 29.99 1suh n GLN 101 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1suh n ASN 102 N -1.36 -7.90 -4.89 1.69 5.15 -1.26 -5.00 115.26 101.69 1suh n ASN 102 Ca -0.00 0.61 -0.32 0.00 -0.60 0.00 0.00 54.58 54.27 1suh n ASN 102 Cb 0.03 -5.35 -0.05 0.00 -0.53 0.00 0.00 39.78 33.89 1suh n ASN 102 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1suh s ASP 103 N -2.51 6.52 0.00 1.20 1.01 -1.26 -5.27 116.67 116.36 1suh s ASP 103 Ca 0.23 0.64 0.00 0.00 0.71 0.00 0.00 52.55 54.12 1suh s ASP 103 Cb -0.06 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.76 1suh s ASP 103 CO 0.76 0.05 0.00 -3.20 0.21 0.00 0.00 175.17 172.99