#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 2.64 -0.37 -0.67 0.52 -1.26 -4.94 118.94 114.86 1suh s TRP 2 Ca 0.00 0.50 0.06 0.00 0.02 0.00 0.00 56.10 56.69 1suh s TRP 2 Cb 0.00 -4.49 0.18 0.00 -1.15 0.00 0.00 33.47 28.01 1suh s TRP 2 CO 0.00 -1.53 0.57 0.08 0.02 0.00 0.00 176.95 176.09 1suh s VAL 3 N 4.88 -0.88 -0.45 4.03 1.01 -1.26 -3.93 120.40 123.79 1suh s VAL 3 Ca 0.45 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.35 1suh s VAL 3 Cb -0.08 -0.38 0.18 0.00 0.00 0.00 0.00 36.38 36.11 1suh s VAL 3 CO 0.27 -0.10 0.66 -0.51 0.00 0.00 0.00 175.10 175.43 1suh s ILE 4 N 2.05 -0.98 0.15 2.22 1.10 -1.25 -5.03 121.20 119.46 1suh s ILE 4 Ca 0.14 -0.42 -0.13 0.00 -0.51 0.00 0.00 60.65 59.74 1suh s ILE 4 Cb -0.07 -0.02 0.03 0.00 0.15 0.00 0.00 42.46 42.55 1suh s ILE 4 CO -0.12 -0.02 1.63 -0.65 -2.11 0.00 0.00 174.94 173.68 1suh h PRO 5 N 6.22 0.85 -6.90 3.50 0.11 -1.94 -3.45 132.00 130.39 1suh h PRO 5 Ca 0.06 -0.24 -0.49 0.00 0.11 0.00 0.00 66.00 65.44 1suh h PRO 5 Cb 1.15 -0.10 0.02 0.00 0.11 0.00 0.00 31.00 32.19 1suh h PRO 5 CO 0.07 0.85 0.45 -1.25 -0.21 0.00 0.00 178.00 177.90 1suh s PRO 6 N -5.17 4.33 0.21 1.05 0.04 -1.26 -3.14 135.00 131.05 1suh s PRO 6 Ca -0.13 1.66 -0.06 0.00 0.04 0.00 0.00 61.00 62.52 1suh s PRO 6 Cb 0.12 -2.80 -0.02 0.00 0.04 0.00 0.00 34.50 31.83 1suh s PRO 6 CO 0.81 -0.03 0.26 0.42 0.04 0.00 0.00 177.00 178.49 1suh s ILE 7 N -1.44 0.01 0.02 0.56 -1.09 0.23 -4.93 121.20 114.57 1suh s ILE 7 Ca 0.53 -1.73 -0.00 0.00 -2.23 0.00 0.00 60.65 57.21 1suh s ILE 7 Cb -0.27 -2.30 -0.02 0.00 -1.58 0.00 0.00 42.46 38.29 1suh s ILE 7 CO 0.34 -0.07 -0.03 -0.55 -1.23 0.00 0.00 174.94 173.40 1suh s SER 8 N -3.08 0.26 -0.03 3.58 0.15 -1.26 -0.91 113.70 112.41 1suh s SER 8 Ca 0.30 -0.54 0.01 0.00 0.70 0.00 0.00 55.95 56.41 1suh s SER 8 Cb 0.04 0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.48 1suh s SER 8 CO 0.09 -0.33 -0.02 0.00 1.20 0.00 0.00 173.24 174.18 1suh s PRO 10 N 0.77 1.60 0.32 0.00 0.04 -1.26 -2.99 135.00 133.48 1suh s PRO 10 Ca -0.09 1.22 0.08 0.00 0.04 0.00 0.00 61.00 62.25 1suh s PRO 10 Cb -0.12 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1suh s PRO 10 CO -0.01 -2.12 0.24 -1.21 0.04 0.00 0.00 177.00 173.95 1suh s GLU 11 N -4.82 2.70 -1.73 4.56 2.02 -1.15 -3.22 118.70 117.06 1suh s GLU 11 Ca 0.63 -1.29 -0.16 0.00 0.02 0.00 0.00 54.97 54.18 1suh s GLU 11 Cb -0.19 -2.44 0.15 0.00 0.10 0.00 0.00 34.13 31.75 1suh s GLU 11 CO 0.57 0.17 0.51 0.09 0.02 0.00 0.00 175.26 176.61 1suh n ASN 12 N -1.29 -1.48 -4.34 -0.19 3.02 -1.11 -4.53 115.26 105.34 1suh n ASN 12 Ca -0.03 -1.18 -0.47 0.00 -0.03 0.00 0.00 54.58 52.87 1suh n ASN 12 Cb 0.60 -2.00 -0.03 0.00 -0.61 0.00 0.00 39.78 37.74 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 -4.28 0.00 -4.07 3.52 -0.58 -1.26 -4.96 120.64 109.01 1suh n GLU 13 Ca -0.02 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.48 1suh n GLU 13 Cb 0.53 -0.99 -0.07 0.00 -0.57 0.00 0.00 31.44 30.34 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 -0.99 2.26 1.93 3.49 -2.85 -1.26 -4.94 119.74 117.38 1suh s LYS 14 Ca 0.63 -1.81 0.00 0.00 -1.00 0.00 0.00 55.97 53.79 1suh s LYS 14 Cb -0.89 -2.02 0.00 0.00 -2.06 0.00 0.00 37.83 32.85 1suh s LYS 14 CO 0.56 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 176.30 1suh n GLY 15 N -1.27 1.16 3.01 0.59 0.00 -1.26 -4.92 105.19 102.50 1suh n GLY 15 Ca -0.01 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 0.35 0.15 1.61 2.12 -1.26 -5.16 118.70 116.52 1suh s GLU 16 Ca 0.00 -0.56 -0.01 0.00 0.36 0.00 0.00 54.97 54.76 1suh s GLU 16 Cb 0.00 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.48 1suh s GLU 16 CO 0.00 -0.07 0.34 -0.06 -0.54 0.00 0.00 175.26 174.94 1suh s PHE 17 N -1.44 3.49 1.06 5.30 0.08 -1.26 -4.16 117.98 121.05 1suh s PHE 17 Ca -0.16 0.36 -0.16 0.00 0.12 0.00 0.00 56.93 57.10 1suh s PHE 17 Cb -0.09 -1.86 0.22 0.00 -0.57 0.00 0.00 43.02 40.72 1suh s PHE 17 CO -0.00 0.45 1.15 -1.25 -0.10 0.00 0.00 175.22 175.47 1suh s PRO 18 N -2.97 -0.11 -0.02 0.24 0.04 -1.26 -5.11 135.00 125.81 1suh s PRO 18 Ca 0.38 0.04 0.01 0.00 0.04 0.00 0.00 61.00 61.47 1suh s PRO 18 Cb -0.12 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1suh s PRO 18 CO 0.28 -2.99 -0.03 0.15 0.04 0.00 0.00 177.00 174.44 1suh s LYS 19 N -5.39 0.42 0.43 4.56 -0.14 0.14 -4.96 119.74 114.79 1suh s LYS 19 Ca 0.69 -0.08 -0.23 0.00 -1.36 0.00 0.00 55.97 54.99 1suh s LYS 19 Cb -0.11 -0.47 -0.09 0.00 -1.68 0.00 0.00 37.83 35.49 1suh s LYS 19 CO 0.55 0.00 1.07 -0.80 -0.76 0.00 0.00 175.35 175.41 1suh s ASN 20 N 0.38 6.56 0.02 2.83 0.01 -1.26 -0.30 114.94 123.18 1suh s ASN 20 Ca -0.04 2.07 -0.00 0.00 -0.71 0.00 0.00 52.86 54.17 1suh s ASN 20 Cb -0.07 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.00 1suh s ASN 20 CO -0.01 -0.63 -0.01 0.18 -1.51 0.00 0.00 177.10 175.13 1suh n LEU 21 N -0.32 0.30 -3.45 0.60 4.77 0.66 -4.87 117.00 114.69 1suh n LEU 21 Ca 0.06 0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.96 1suh n LEU 21 Cb 0.50 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1suh n LEU 21 CO 0.44 -0.56 0.37 0.54 -1.33 0.00 0.00 177.39 176.86 1suh s VAL 22 N -1.27 0.01 0.42 4.08 0.11 -1.04 -4.99 120.40 117.72 1suh s VAL 22 Ca -0.01 -0.08 -0.16 0.00 -2.93 0.00 0.00 61.98 58.80 1suh s VAL 22 Cb 0.00 -1.03 -0.09 0.00 -1.53 0.00 0.00 36.38 33.73 1suh s VAL 22 CO 0.01 -0.04 0.87 -1.58 -3.33 0.00 0.00 175.10 171.03 1suh s GLN 23 N -3.76 4.01 0.15 1.54 0.74 -1.26 -0.17 119.66 120.91 1suh s GLN 23 Ca 0.01 0.84 -0.02 0.00 0.05 0.00 0.00 55.36 56.24 1suh s GLN 23 Cb -0.01 -2.27 -0.05 0.00 1.10 0.00 0.00 33.01 31.79 1suh s GLN 23 CO -0.13 -0.05 0.35 0.42 -0.55 0.00 0.00 175.29 175.33 1suh s ILE 24 N -2.28 5.23 -0.04 -2.34 1.01 0.85 -4.85 121.20 118.77 1suh s ILE 24 Ca 0.57 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.97 1suh s ILE 24 Cb -0.10 -3.67 0.03 0.00 0.01 0.00 0.00 42.46 38.73 1suh s ILE 24 CO 0.22 -0.04 0.07 -0.54 0.00 0.00 0.00 174.94 174.65 1suh s LYS 25 N -2.93 -0.06 0.49 2.79 1.02 -1.26 -4.88 119.74 114.91 1suh s LYS 25 Ca 0.39 0.38 0.04 0.00 0.02 0.00 0.00 55.97 56.79 1suh s LYS 25 Cb -0.12 -0.46 -0.02 0.00 -0.52 0.00 0.00 37.83 36.72 1suh s LYS 25 CO 0.27 -0.31 0.12 0.45 -0.92 0.00 0.00 175.35 174.96 1suh s SER 26 N 2.06 4.25 -0.13 2.83 0.15 -1.26 -3.97 113.70 117.63 1suh s SER 26 Ca 0.03 -1.44 -0.12 0.00 0.70 0.00 0.00 55.95 55.12 1suh s SER 26 Cb -0.12 0.21 -0.10 0.00 -1.71 0.00 0.00 66.02 64.30 1suh s SER 26 CO -0.03 -0.80 0.26 -1.13 1.20 0.00 0.00 173.24 172.73 1suh h ASN 27 N 1.29 0.00 -1.25 5.45 -0.73 -2.00 -3.33 115.58 115.01 1suh h ASN 27 Ca -0.42 -0.37 0.36 0.00 1.87 0.00 0.00 56.30 57.74 1suh h ASN 27 Cb 1.29 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.83 1suh h ASN 27 CO 0.71 0.77 1.09 0.54 -0.37 0.00 0.00 177.43 180.16 1suh n ARG 28 N -4.68 0.01 0.00 6.67 5.12 -1.26 -0.01 116.66 122.51 1suh n ARG 28 Ca -0.07 0.86 0.00 0.00 -1.93 0.00 0.00 57.85 56.71 1suh n ARG 28 Cb 0.24 -2.05 0.00 0.00 -1.16 0.00 0.00 32.46 29.49 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 -3.23 0.01 -0.62 0.55 5.75 -1.25 -1.55 116.55 116.21 1suh n ASP 29 Ca 0.28 -0.10 0.12 0.00 -0.01 0.00 0.00 54.79 55.09 1suh n ASP 29 Cb 1.46 -0.01 0.17 0.00 -1.03 0.00 0.00 41.12 41.71 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 -0.21 1.61 0.00 0.11 5.02 0.99 -4.53 118.16 121.14 1suh n LYS 30 Ca 0.00 -1.24 0.00 0.00 -2.02 0.00 0.00 58.31 55.05 1suh n LYS 30 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 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 0.39 2.48 -3.46 1.97 0.28 -0.60 -5.12 120.64 116.58 1suh n GLU 31 Ca 0.13 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.99 1suh n GLU 31 Cb 0.48 -0.69 -0.03 0.00 1.43 0.00 0.00 31.44 32.63 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 -1.11 0.00 -0.31 3.84 -1.32 -1.24 -5.09 115.64 110.41 1suh s THR 32 Ca 0.00 0.00 -0.32 0.00 -1.21 0.00 0.00 61.69 60.16 1suh s THR 32 Cb 0.00 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.90 1suh s THR 32 CO 0.00 0.00 2.22 1.17 -2.21 0.00 0.00 174.62 175.80 1suh n LYS 33 N 0.07 1.40 -3.78 7.08 4.81 -1.26 -4.50 118.16 121.98 1suh n LYS 33 Ca -0.17 0.37 -0.37 0.00 -0.87 0.00 0.00 58.31 57.27 1suh n LYS 33 Cb 0.62 -2.78 -0.07 0.00 0.02 0.00 0.00 35.03 32.82 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 7.91 5.42 -0.00 3.15 0.11 -1.26 -1.33 120.40 134.39 1suh s VAL 34 Ca 1.06 0.30 -0.05 0.00 -2.93 0.00 0.00 61.98 60.36 1suh s VAL 34 Cb -0.64 -3.47 -0.04 0.00 -1.53 0.00 0.00 36.38 30.70 1suh s VAL 34 CO 0.43 0.56 0.23 -0.36 -3.33 0.00 0.00 175.10 172.62 1suh s PHE 35 N -0.60 3.57 0.33 1.54 0.40 0.12 -4.90 117.98 118.43 1suh s PHE 35 Ca 0.14 0.48 0.06 0.00 -0.60 0.00 0.00 56.93 57.02 1suh s PHE 35 Cb -0.12 -1.92 -0.01 0.00 0.51 0.00 0.00 43.02 41.47 1suh s PHE 35 CO 0.04 0.63 0.46 0.71 0.70 0.00 0.00 175.22 177.76 1suh s TYR 36 N -1.30 3.17 -0.30 0.36 2.02 -0.13 -1.26 117.35 119.91 1suh s TYR 36 Ca 0.27 -0.17 -0.02 0.00 -0.37 0.00 0.00 57.07 56.78 1suh s TYR 36 Cb -0.13 -1.95 0.19 0.00 -0.40 0.00 0.00 41.96 39.67 1suh s TYR 36 CO 0.17 0.04 0.62 -1.12 -1.57 0.00 0.00 175.55 173.68 1suh s SER 37 N -4.15 -1.34 0.09 2.29 0.01 -0.33 -4.25 113.70 106.02 1suh s SER 37 Ca 0.44 0.89 -0.00 0.00 1.31 0.00 0.00 55.95 58.58 1suh s SER 37 Cb -0.09 2.14 -0.04 0.00 0.21 0.00 0.00 66.02 68.24 1suh s SER 37 CO 0.31 -0.25 0.25 -0.51 0.41 0.00 0.00 173.24 173.45 1suh s ILE 38 N 2.86 5.34 -0.02 1.44 2.07 -1.26 -0.27 121.20 131.37 1suh s ILE 38 Ca 0.19 -0.38 -0.26 0.00 -1.41 0.00 0.00 60.65 58.79 1suh s ILE 38 Cb -0.15 -3.65 0.06 0.00 0.13 0.00 0.00 42.46 38.85 1suh s ILE 38 CO -0.21 0.08 0.57 0.28 -1.91 0.00 0.00 174.94 173.75 1suh s THR 39 N -1.58 0.02 -4.98 4.00 -1.32 0.53 -4.82 115.64 107.48 1suh s THR 39 Ca 0.36 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 1suh s THR 39 Cb -0.13 -0.92 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 1suh s THR 39 CO 0.28 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.21 1suh n GLY 40 N 0.83 1.03 3.55 6.08 0.00 -1.26 -0.92 105.19 114.51 1suh n GLY 40 Ca -0.19 -1.95 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.97 1.22 0.00 1.61 -0.00 -1.26 -0.87 117.38 116.12 1suh n GLN 41 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 57.00 57.16 1suh n GLN 41 Cb 0.00 -3.18 0.00 0.00 -0.00 0.00 0.00 30.24 27.06 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 6.03 1.25 0.97 2.61 0.00 -0.43 -4.78 105.19 110.82 1suh n GLY 42 Ca 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 2.87 -0.01 4.61 0.00 -0.05 0.28 120.51 128.20 1suh n ALA 43 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.48 1suh n ALA 43 Cb 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.81 1.59 -4.80 0.00 5.75 -1.08 -1.76 116.55 113.44 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 0.01 1.60 -0.06 0.00 -1.03 0.00 0.00 41.12 41.64 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 -2.97 2.96 0.16 0.11 3.01 -0.85 -4.80 119.74 117.37 1suh s LYS 45 Ca -0.06 -0.67 -0.34 0.00 -1.01 0.00 0.00 55.97 53.89 1suh s LYS 45 Cb 0.09 -2.76 -0.14 0.00 -1.01 0.00 0.00 37.83 34.01 1suh s LYS 45 CO 0.62 0.56 1.57 -2.30 0.51 0.00 0.00 175.35 176.31 1suh n PRO 46 N 0.35 2.13 -2.06 -1.68 -0.01 -1.26 -1.32 135.00 131.16 1suh n PRO 46 Ca -0.08 0.77 -0.42 0.00 -0.01 0.00 0.00 63.50 63.76 1suh n PRO 46 Cb 0.52 -2.54 -0.03 0.00 -0.01 0.00 0.00 33.50 31.44 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 0.89 4.24 -0.10 0.52 0.04 -1.26 -4.46 135.00 134.87 1suh s PRO 47 Ca 0.79 2.18 -0.30 0.00 0.04 0.00 0.00 61.00 63.72 1suh s PRO 47 Cb -0.68 -3.48 -0.02 0.00 0.04 0.00 0.00 34.50 30.36 1suh s PRO 47 CO 0.38 -0.62 1.07 0.08 0.04 0.00 0.00 177.00 177.94 1suh s VAL 48 N 2.13 4.62 0.00 -0.36 1.01 -1.11 -2.25 120.40 124.45 1suh s VAL 48 Ca 0.69 1.91 0.00 0.00 0.00 0.00 0.00 61.98 64.58 1suh s VAL 48 Cb -0.37 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 31.78 1suh s VAL 48 CO 0.30 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1suh n GLY 49 N 3.19 -1.69 0.00 4.51 0.00 -0.72 -4.94 105.19 105.54 1suh n GLY 49 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.15 0.00 -4.90 1.61 0.31 0.78 -4.90 118.33 111.09 1suh n VAL 50 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1suh n VAL 50 Cb 0.00 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 32.76 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 2.34 -0.02 3.52 0.08 0.47 -0.65 117.98 122.72 1suh s PHE 51 Ca 0.00 -1.02 0.07 0.00 0.12 0.00 0.00 56.93 56.10 1suh s PHE 51 Cb 0.00 -1.60 -0.02 0.00 -0.57 0.00 0.00 43.02 40.83 1suh s PHE 51 CO 0.00 -0.45 -0.23 0.96 -0.10 0.00 0.00 175.22 175.40 1suh s ILE 52 N 0.59 2.31 0.09 0.64 -4.36 0.64 -4.57 121.20 116.53 1suh s ILE 52 Ca -0.14 -1.05 0.07 0.00 -0.26 0.00 0.00 60.65 59.27 1suh s ILE 52 Cb -0.17 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 41.68 1suh s ILE 52 CO 0.04 0.56 -0.17 -0.51 0.24 0.00 0.00 174.94 175.10 1suh s ILE 53 N -0.66 1.42 -0.52 8.37 -1.16 -1.26 -0.09 121.20 127.30 1suh s ILE 53 Ca 0.11 -1.45 -0.20 0.00 -0.51 0.00 0.00 60.65 58.59 1suh s ILE 53 Cb -0.10 -1.34 0.06 0.00 0.61 0.00 0.00 42.46 41.69 1suh s ILE 53 CO -0.00 -0.16 0.70 -0.70 -2.81 0.00 0.00 174.94 171.97 1suh s GLU 54 N -1.88 3.16 0.63 3.50 -6.30 -0.07 -4.90 118.70 112.84 1suh s GLU 54 Ca 0.03 -0.80 0.31 0.00 -2.50 0.00 0.00 54.97 52.01 1suh s GLU 54 Cb -0.10 -4.10 1.70 0.00 0.00 0.00 0.00 34.13 31.63 1suh s GLU 54 CO 0.03 -1.30 2.02 0.07 0.02 0.00 0.00 175.26 176.10 1suh h ARG 55 N 9.08 0.00 0.00 4.30 0.11 -1.90 1.10 114.38 127.06 1suh h ARG 55 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 1suh h ARG 55 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 1suh h ARG 55 CO 1.00 0.00 -0.25 0.39 0.10 0.00 0.00 179.97 181.21 1suh n GLU 56 N -3.33 0.20 0.00 0.08 1.02 -1.26 -0.95 120.64 116.40 1suh n GLU 56 Ca 0.01 0.34 0.15 0.00 -0.02 0.00 0.00 57.16 57.65 1suh n GLU 56 Cb 0.39 -1.14 0.86 0.00 -0.02 0.00 0.00 31.44 31.52 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 -3.31 0.00 -1.38 2.62 -2.24 -1.20 -4.86 114.28 103.91 1suh n THR 57 Ca -0.03 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.62 1suh n THR 57 Cb 0.13 -0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 67.80 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 1.11 1.28 3.65 3.38 0.00 0.38 -4.65 105.19 110.34 1suh n GLY 58 Ca 0.19 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.17 2.38 -0.38 1.61 0.52 -1.23 -0.11 118.94 119.56 1suh s TRP 59 Ca 0.00 0.61 -0.19 0.00 0.02 0.00 0.00 56.10 56.54 1suh s TRP 59 Cb 0.00 -3.77 0.01 0.00 -1.15 0.00 0.00 33.47 28.55 1suh s TRP 59 CO 0.00 -2.72 0.56 -1.17 0.02 0.00 0.00 176.95 173.65 1suh s LEU 60 N 4.09 4.41 0.23 2.99 0.20 0.76 -0.89 118.68 130.47 1suh s LEU 60 Ca 0.65 -0.12 0.11 0.00 0.69 0.00 0.00 54.13 55.45 1suh s LEU 60 Cb -0.26 -2.64 -0.05 0.00 -0.43 0.00 0.00 46.19 42.81 1suh s LEU 60 CO 0.23 -0.58 -0.16 -0.54 -0.29 0.00 0.00 176.35 175.01 1suh s LYS 61 N 2.54 1.81 0.08 1.98 1.02 0.88 -0.25 119.74 127.79 1suh s LYS 61 Ca 0.20 -1.54 0.07 0.00 0.02 0.00 0.00 55.97 54.72 1suh s LYS 61 Cb -0.15 -1.93 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 1suh s LYS 61 CO 0.15 0.38 -0.18 0.54 -0.92 0.00 0.00 175.35 175.32 1suh s VAL 62 N -2.06 1.47 -0.18 3.17 0.11 0.59 -0.26 120.40 123.22 1suh s VAL 62 Ca 0.26 -1.39 0.09 0.00 -2.93 0.00 0.00 61.98 58.01 1suh s VAL 62 Cb -0.07 -1.35 -0.22 0.00 -1.53 0.00 0.00 36.38 33.21 1suh s VAL 62 CO 0.14 -0.08 0.11 0.35 -3.33 0.00 0.00 175.10 172.29 1suh n THR 63 N 1.29 1.50 -4.56 5.04 -2.24 0.18 -0.69 114.28 114.80 1suh n THR 63 Ca -0.20 -0.74 -0.34 0.00 -2.27 0.00 0.00 64.05 60.51 1suh n THR 63 Cb 0.54 -1.00 -0.12 0.00 -2.10 0.00 0.00 70.33 67.64 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 -2.52 3.26 0.78 -0.78 -0.21 -1.20 -4.83 119.66 114.16 1suh s GLN 64 Ca -0.18 -0.56 -0.12 0.00 0.02 0.00 0.00 55.36 54.51 1suh s GLN 64 Cb 0.07 -2.73 0.07 0.00 1.00 0.00 0.00 33.01 31.42 1suh s GLN 64 CO 0.75 0.40 1.14 -1.25 -2.12 0.00 0.00 175.29 174.21 1suh s PRO 65 N -0.09 1.97 0.45 2.91 0.04 -1.26 -5.00 135.00 134.02 1suh s PRO 65 Ca 0.01 1.46 -0.03 0.00 0.04 0.00 0.00 61.00 62.48 1suh s PRO 65 Cb -0.13 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 1suh s PRO 65 CO 0.03 -1.90 0.72 -0.51 0.04 0.00 0.00 177.00 175.38 1suh s LEU 66 N -5.75 3.69 -0.21 -3.56 1.43 -1.20 -4.81 118.68 108.28 1suh s LEU 66 Ca 0.67 0.70 -0.04 0.00 -1.03 0.00 0.00 54.13 54.43 1suh s LEU 66 Cb -0.22 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.49 1suh s LEU 66 CO 0.51 -0.57 0.31 -0.62 0.23 0.00 0.00 176.35 176.22 1suh s ASP 67 N -4.12 0.59 0.56 2.29 -1.08 -1.26 -2.75 116.67 110.90 1suh s ASP 67 Ca 0.46 0.21 0.25 0.00 -0.52 0.00 0.00 52.55 52.95 1suh s ASP 67 Cb -0.10 0.83 1.51 0.00 -1.46 0.00 0.00 42.92 43.70 1suh s ASP 67 CO 0.42 -0.29 2.10 -0.09 0.52 0.00 0.00 175.17 177.83 1suh h ARG 68 N 8.24 0.00 0.00 4.34 2.43 -1.94 0.24 114.38 127.69 1suh h ARG 68 Ca -0.17 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1suh h ARG 68 Cb 1.14 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1suh h ARG 68 CO 0.24 0.00 -0.01 0.93 -1.51 0.00 0.00 179.97 179.62 1suh h GLU 69 N 0.00 0.00 0.00 0.20 5.08 -2.02 -3.25 114.58 114.59 1suh h GLU 69 Ca 0.10 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.18 1suh h GLU 69 Cb 0.45 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1suh h GLU 69 CO -0.00 0.01 -1.92 0.00 -1.00 0.00 0.00 179.01 176.10 1suh n ALA 70 N -2.37 1.89 -3.36 3.43 0.00 0.22 -5.03 120.51 115.28 1suh n ALA 70 Ca -0.03 -0.66 -0.13 0.00 0.00 0.00 0.00 53.44 52.62 1suh n ALA 70 Cb 0.10 0.26 -0.13 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.30 -0.02 -0.79 0.00 1.01 0.58 -5.02 121.20 114.65 1suh s ILE 71 Ca -0.23 0.07 0.22 0.00 0.00 0.00 0.00 60.65 60.71 1suh s ILE 71 Cb 0.08 -0.29 -0.17 0.00 0.01 0.00 0.00 42.46 42.10 1suh s ILE 71 CO 0.30 0.03 0.97 0.00 0.00 0.00 0.00 174.94 176.24 1suh n ALA 72 N 3.52 3.99 -3.65 9.38 0.00 -1.26 -3.30 120.51 129.20 1suh n ALA 72 Ca -0.18 -0.50 -0.08 0.00 0.00 0.00 0.00 53.44 52.68 1suh n ALA 72 Cb 0.56 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 19.05 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 -3.11 0.67 -0.11 0.00 2.20 -1.26 -0.30 119.74 117.82 1suh s LYS 73 Ca 0.06 1.15 -0.05 0.00 -0.36 0.00 0.00 55.97 56.77 1suh s LYS 73 Cb 0.16 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.56 1suh s LYS 73 CO 0.83 -0.15 0.08 0.71 -0.36 0.00 0.00 175.35 176.46 1suh s TYR 74 N 1.55 3.40 -0.29 4.03 1.51 0.82 -4.97 117.35 123.39 1suh s TYR 74 Ca -0.09 0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 56.29 1suh s TYR 74 Cb -0.05 -1.90 0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1suh s TYR 74 CO -0.18 0.57 0.01 0.42 -1.11 0.00 0.00 175.55 175.26 1suh s ILE 75 N -0.81 3.18 0.27 2.71 1.01 -1.26 -1.01 121.20 125.29 1suh s ILE 75 Ca 0.13 -1.17 0.09 0.00 0.00 0.00 0.00 60.65 59.70 1suh s ILE 75 Cb -0.12 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 1suh s ILE 75 CO 0.03 -0.01 0.08 -0.76 0.00 0.00 0.00 174.94 174.28 1suh s LEU 76 N 1.32 3.39 0.14 2.97 2.01 0.07 -4.54 118.68 124.04 1suh s LEU 76 Ca -0.02 -0.55 0.11 0.00 0.01 0.00 0.00 54.13 53.68 1suh s LEU 76 Cb -0.19 -1.91 -0.04 0.00 0.01 0.00 0.00 46.19 44.06 1suh s LEU 76 CO -0.01 -0.06 -0.25 -0.31 1.01 0.00 0.00 176.35 176.74 1suh s TYR 77 N -2.28 2.35 0.04 0.29 1.51 -0.09 0.99 117.35 120.16 1suh s TYR 77 Ca 0.33 -0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 56.01 1suh s TYR 77 Cb -0.06 -1.25 -0.03 0.00 -0.11 0.00 0.00 41.96 40.51 1suh s TYR 77 CO 0.22 0.38 0.01 -1.54 -1.11 0.00 0.00 175.55 173.51 1suh s SER 78 N -2.20 0.35 0.04 2.29 1.04 0.15 -0.35 113.70 115.02 1suh s SER 78 Ca 0.16 -0.77 0.02 0.00 0.48 0.00 0.00 55.95 55.84 1suh s SER 78 Cb -0.10 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 1suh s SER 78 CO 0.07 -0.52 -0.07 -1.00 0.98 0.00 0.00 173.24 172.70 1suh s HIS 79 N -3.10 0.64 0.06 5.02 3.76 0.63 -3.00 115.29 119.31 1suh s HIS 79 Ca -0.01 -0.55 0.04 0.00 -0.15 0.00 0.00 55.06 54.39 1suh s HIS 79 Cb 0.02 -0.39 -0.03 0.00 1.11 0.00 0.00 32.58 33.29 1suh s HIS 79 CO -0.07 -0.11 -0.12 0.00 -0.85 0.00 0.00 174.74 173.59 1suh s ALA 80 N -1.65 1.01 -0.00 -1.40 0.00 -1.26 -1.19 121.76 117.26 1suh s ALA 80 Ca -0.08 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1suh s ALA 80 Cb -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1suh s ALA 80 CO -0.00 0.12 -0.02 0.14 0.00 0.00 0.00 175.76 176.00 1suh s VAL 81 N -1.25 0.15 0.05 0.00 -7.23 -0.39 0.27 120.40 111.99 1suh s VAL 81 Ca -0.04 -0.06 -0.31 0.00 -1.81 0.00 0.00 61.98 59.76 1suh s VAL 81 Cb -0.10 -0.14 -0.06 0.00 0.56 0.00 0.00 36.38 36.64 1suh s VAL 81 CO 0.02 0.05 1.29 -0.94 -0.31 0.00 0.00 175.10 175.21 1suh s SER 82 N 0.06 6.97 0.00 4.85 1.04 0.99 0.11 113.70 127.72 1suh s SER 82 Ca -0.00 2.09 0.00 0.00 0.48 0.00 0.00 55.95 58.53 1suh s SER 82 Cb -0.02 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.55 1suh s SER 82 CO -0.00 -0.58 0.21 -0.24 0.98 0.00 0.00 173.24 173.61 1suh n SER 83 N 4.34 0.00 -0.22 7.02 2.88 -0.44 -0.84 113.62 126.35 1suh n SER 83 Ca 0.11 -0.27 0.10 0.00 -1.33 0.00 0.00 58.87 57.47 1suh n SER 83 Cb 0.45 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.85 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 -0.55 1.41 0.00 -3.46 0.23 -1.26 -4.95 115.26 106.68 1suh n ASN 84 Ca 0.00 -1.21 0.00 0.00 -0.53 0.00 0.00 54.58 52.85 1suh n ASN 84 Cb 0.00 0.75 0.00 0.00 -2.08 0.00 0.00 39.78 38.45 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 1.41 0.87 3.53 4.83 0.00 -0.02 -5.09 105.19 110.73 1suh n GLY 85 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.55 3.79 0.13 1.61 0.41 -1.22 -4.96 118.70 117.92 1suh s GLU 86 Ca 0.00 -0.42 -0.31 0.00 -0.41 0.00 0.00 54.97 53.83 1suh s GLU 86 Cb 0.00 -3.27 -0.08 0.00 -1.78 0.00 0.00 34.13 29.00 1suh s GLU 86 CO 0.00 0.02 1.30 0.00 -0.49 0.00 0.00 175.26 176.09 1suh s ALA 87 N 1.06 3.51 -0.03 5.21 0.00 -1.26 -0.00 121.76 130.24 1suh s ALA 87 Ca 0.04 1.03 0.20 0.00 0.00 0.00 0.00 51.96 53.23 1suh s ALA 87 Cb -0.14 -3.48 0.36 0.00 0.00 0.00 0.00 23.12 19.86 1suh s ALA 87 CO 0.03 -0.52 1.15 1.33 0.00 0.00 0.00 175.76 177.75 1suh n VAL 88 N 3.43 0.29 -2.68 0.00 0.24 -0.90 -4.81 118.33 113.89 1suh n VAL 88 Ca 0.09 -1.14 -0.33 0.00 -2.04 0.00 0.00 64.34 60.92 1suh n VAL 88 Cb 0.44 0.76 -0.06 0.00 -1.47 0.00 0.00 33.84 33.51 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 -0.43 4.11 -0.01 7.34 -1.05 0.75 -4.40 118.70 125.02 1suh s GLU 89 Ca 0.30 1.09 -0.18 0.00 -0.15 0.00 0.00 54.97 56.03 1suh s GLU 89 Cb 0.33 -2.16 0.03 0.00 -0.44 0.00 0.00 34.13 31.89 1suh s GLU 89 CO -0.13 -0.13 0.39 -0.51 0.95 0.00 0.00 175.26 175.83 1suh s ASP 90 N -2.41 -0.29 -0.78 0.83 1.01 -1.26 -4.78 116.67 108.98 1suh s ASP 90 Ca 0.62 0.19 -0.24 0.00 0.71 0.00 0.00 52.55 53.83 1suh s ASP 90 Cb -0.10 0.37 -0.16 0.00 1.01 0.00 0.00 42.92 44.04 1suh s ASP 90 CO 0.19 -0.51 2.39 -0.81 0.21 0.00 0.00 175.17 176.63 1suh n PRO 91 N 1.08 0.53 -3.94 8.23 -0.04 -1.26 -4.56 135.00 135.03 1suh n PRO 91 Ca -0.21 -0.57 -0.35 0.00 -0.04 0.00 0.00 63.50 62.34 1suh n PRO 91 Cb 0.57 -3.17 -0.14 0.00 -0.04 0.00 0.00 33.50 30.71 1suh n PRO 91 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1suh s MET 92 N 8.54 2.97 -0.31 0.54 -1.94 -1.16 -5.01 119.30 122.94 1suh s MET 92 Ca 1.01 -0.89 -0.14 0.00 -1.71 0.00 0.00 55.69 53.96 1suh s MET 92 Cb -0.29 -3.00 -0.03 0.00 2.01 0.00 0.00 34.83 33.52 1suh s MET 92 CO 0.20 -0.35 0.34 -1.21 -0.01 0.00 0.00 175.02 173.99 1suh s GLU 93 N 1.37 3.77 -0.18 2.03 2.02 -1.26 0.30 118.70 126.74 1suh s GLU 93 Ca 0.02 -0.25 -0.21 0.00 0.02 0.00 0.00 54.97 54.55 1suh s GLU 93 Cb -0.16 -3.74 -0.03 0.00 0.10 0.00 0.00 34.13 30.31 1suh s GLU 93 CO -0.04 -0.40 0.63 0.42 0.02 0.00 0.00 175.26 175.89 1suh s ILE 94 N 2.00 5.03 -0.26 -1.63 1.01 0.28 -4.93 121.20 122.70 1suh s ILE 94 Ca 0.12 1.20 -0.09 0.00 0.00 0.00 0.00 60.65 61.87 1suh s ILE 94 Cb -0.16 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1suh s ILE 94 CO 0.11 0.13 0.14 -0.69 0.00 0.00 0.00 174.94 174.63 1suh s VAL 95 N 1.77 4.97 -0.26 2.92 1.01 -1.19 -0.75 120.40 128.87 1suh s VAL 95 Ca 0.29 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1suh s VAL 95 Cb -0.16 -3.34 0.05 0.00 0.00 0.00 0.00 36.38 32.93 1suh s VAL 95 CO 0.11 0.31 -0.08 -0.63 0.00 0.00 0.00 175.10 174.81 1suh s ILE 96 N 1.50 2.56 0.22 2.22 1.01 -0.18 0.76 121.20 129.29 1suh s ILE 96 Ca 0.07 -1.37 -0.12 0.00 0.00 0.00 0.00 60.65 59.23 1suh s ILE 96 Cb -0.15 -2.41 -0.07 0.00 0.01 0.00 0.00 42.46 39.83 1suh s ILE 96 CO 0.07 0.05 0.58 0.28 0.00 0.00 0.00 174.94 175.92 1suh s THR 97 N 1.21 4.87 0.20 2.92 -1.32 -0.09 -0.13 115.64 123.31 1suh s THR 97 Ca -0.05 0.65 -0.08 0.00 -1.21 0.00 0.00 61.69 61.00 1suh s THR 97 Cb -0.19 -3.65 -0.07 0.00 -1.51 0.00 0.00 72.50 67.09 1suh s THR 97 CO -0.04 -0.00 0.50 -0.69 -2.21 0.00 0.00 174.62 172.17 1suh s VAL 98 N -1.75 5.00 -0.05 5.08 1.01 0.59 -0.74 120.40 129.54 1suh s VAL 98 Ca 0.46 0.34 -0.05 0.00 0.00 0.00 0.00 61.98 62.74 1suh s VAL 98 Cb -0.12 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1suh s VAL 98 CO 0.20 -0.04 0.14 0.42 0.00 0.00 0.00 175.10 175.83 1suh s THR 99 N -1.77 -0.01 0.87 3.92 -4.23 -1.16 -4.93 115.64 108.34 1suh s THR 99 Ca 0.45 0.03 -0.15 0.00 -1.18 0.00 0.00 61.69 60.84 1suh s THR 99 Cb -0.11 -0.21 -0.04 0.00 1.34 0.00 0.00 72.50 73.48 1suh s THR 99 CO 0.22 0.01 0.12 -0.67 -0.54 0.00 0.00 174.62 173.76 1suh n ASP 100 N 3.18 -2.87 -4.96 3.99 -0.08 -1.26 -2.94 116.55 111.60 1suh n ASP 100 Ca -0.14 0.39 -0.20 0.00 -1.51 0.00 0.00 54.79 53.32 1suh n ASP 100 Cb 0.58 -1.08 0.01 0.00 2.34 0.00 0.00 41.12 42.96 1suh n ASP 100 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1suh s GLN 101 N -2.85 2.56 -0.40 -0.67 0.00 -1.26 -4.58 119.66 112.45 1suh s GLN 101 Ca 0.55 -1.51 0.06 0.00 -0.00 0.00 0.00 55.36 54.46 1suh s GLN 101 Cb -0.26 -2.54 0.20 0.00 0.00 0.00 0.00 33.01 30.41 1suh s GLN 101 CO 0.68 -0.41 0.41 0.27 0.00 0.00 0.00 175.29 176.25 1suh n ASN 102 N -1.83 -0.23 -4.48 12.60 0.23 -1.26 -5.05 115.26 115.24 1suh n ASN 102 Ca 0.07 -2.50 -0.52 0.00 -0.53 0.00 0.00 54.58 51.10 1suh n ASN 102 Cb 0.61 -0.59 -0.05 0.00 -2.08 0.00 0.00 39.78 37.67 1suh n ASN 102 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1suh n ASP 103 N 2.26 -0.16 0.00 0.53 2.03 -1.26 -5.18 116.55 114.77 1suh n ASP 103 Ca 0.26 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.72 1suh n ASP 103 Cb 0.50 -1.01 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 1suh n ASP 103 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08