#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs8 s PHE 2 N 0.00 3.59 -0.22 1.12 0.08 -1.26 -4.94 117.98 116.35 1vs8 s PHE 2 Ca 0.00 1.75 0.01 0.00 0.12 0.00 0.00 56.93 58.81 1vs8 s PHE 2 Cb 0.00 -3.02 0.05 0.00 -0.57 0.00 0.00 43.02 39.48 1vs8 s PHE 2 CO 0.00 -0.07 -0.07 0.99 -0.10 0.00 0.00 175.22 175.97 1vs8 s THR 3 N -1.54 1.60 -0.21 0.64 2.01 -1.26 -0.86 115.64 116.01 1vs8 s THR 3 Ca 0.51 -1.17 -0.04 0.00 0.31 0.00 0.00 61.69 61.30 1vs8 s THR 3 Cb -0.22 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.49 1vs8 s THR 3 CO 0.27 -0.01 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.52 1vs8 s ILE 4 N 1.38 3.48 0.13 1.82 1.09 0.11 -4.97 121.20 124.24 1vs8 s ILE 4 Ca -0.05 -0.46 -0.18 0.00 -1.10 0.00 0.00 60.65 58.86 1vs8 s ILE 4 Cb -0.18 -2.57 -0.07 0.00 -1.06 0.00 0.00 42.46 38.57 1vs8 s ILE 4 CO -0.07 0.43 0.61 0.21 -0.10 0.00 0.00 174.94 176.02 1vs8 s ASN 5 N 1.33 7.02 0.10 3.58 3.84 -1.26 -0.63 114.94 128.91 1vs8 s ASN 5 Ca 0.04 1.27 -0.06 0.00 0.21 0.00 0.00 52.86 54.32 1vs8 s ASN 5 Cb -0.14 -2.36 0.02 0.00 -0.55 0.00 0.00 41.25 38.22 1vs8 s ASN 5 CO -0.02 0.18 0.29 0.00 -2.79 0.00 0.00 177.10 174.76 1vs8 n ALA 6 N 1.27 -0.70 -3.47 1.71 0.00 -1.21 -4.35 120.51 113.75 1vs8 n ALA 6 Ca -0.07 -0.37 -0.13 0.00 0.00 0.00 0.00 53.44 52.87 1vs8 n ALA 6 Cb 0.51 0.26 -0.03 0.00 0.00 0.00 0.00 19.45 20.18 1vs8 n ALA 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1vs8 s GLU 7 N -2.02 1.09 1.00 0.00 1.03 -1.26 -2.94 118.70 115.60 1vs8 s GLU 7 Ca 0.06 -0.18 -0.14 0.00 0.03 0.00 0.00 54.97 54.74 1vs8 s GLU 7 Cb -0.01 0.51 0.08 0.00 -0.80 0.00 0.00 34.13 33.91 1vs8 s GLU 7 CO 0.03 -0.43 0.45 1.33 -1.33 0.00 0.00 175.26 175.31 1vs8 n VAL 8 N 0.11 0.00 -3.35 1.83 0.24 -1.26 -0.04 118.33 115.86 1vs8 n VAL 8 Ca -0.16 -0.21 -0.31 0.00 -2.04 0.00 0.00 64.34 61.63 1vs8 n VAL 8 Cb 0.62 -0.69 -0.05 0.00 -1.47 0.00 0.00 33.84 32.25 1vs8 n VAL 8 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1vs8 s ARG 9 N -3.77 3.76 -0.02 7.34 0.52 0.11 -4.45 118.95 122.45 1vs8 s ARG 9 Ca 0.59 0.23 -0.16 0.00 -0.52 0.00 0.00 55.73 55.87 1vs8 s ARG 9 Cb -0.20 -2.62 -0.33 0.00 0.52 0.00 0.00 34.95 32.32 1vs8 s ARG 9 CO 0.66 0.26 0.84 0.87 0.02 0.00 0.00 175.30 177.95 1vs8 h LYS 10 N 2.22 0.43 0.00 3.54 6.56 -1.94 -3.49 116.57 123.90 1vs8 h LYS 10 Ca -0.47 -0.73 0.00 0.00 -1.06 0.00 0.00 60.65 58.39 1vs8 h LYS 10 Cb 1.18 0.27 0.00 0.00 -0.57 0.00 0.00 32.23 33.11 1vs8 h LYS 10 CO 0.68 1.35 0.00 0.39 -2.06 0.00 0.00 179.45 179.81 1vs8 n GLU 11 N -3.79 1.10 -3.16 3.15 1.02 -1.26 -5.17 120.64 112.53 1vs8 n GLU 11 Ca -0.19 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.00 1vs8 n GLU 11 Cb 1.02 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.42 1vs8 n GLU 11 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1vs8 s GLN 12 N 0.50 0.07 0.00 3.49 -2.07 -1.26 -4.92 119.66 115.47 1vs8 s GLN 12 Ca 0.00 0.13 0.00 0.00 -1.82 0.00 0.00 55.36 53.67 1vs8 s GLN 12 Cb 0.00 0.08 0.00 0.00 -1.09 0.00 0.00 33.01 32.00 1vs8 s GLN 12 CO 0.00 -0.07 0.00 0.41 -1.32 0.00 0.00 175.29 174.31 1vs8 n GLY 13 N 5.37 -1.09 0.00 2.60 0.00 -1.26 -4.92 105.19 105.88 1vs8 n GLY 13 Ca -0.09 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1vs8 n GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vs8 n LYS 14 N 0.00 0.00 -0.32 1.61 4.81 -1.26 -1.16 118.16 121.85 1vs8 n LYS 14 Ca 0.00 0.24 0.08 0.00 -0.87 0.00 0.00 58.31 57.77 1vs8 n LYS 14 Cb 0.00 -0.91 0.19 0.00 0.02 0.00 0.00 35.03 34.33 1vs8 n LYS 14 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1vs8 h GLY 15 N 0.00 0.92 0.00 3.14 0.00 -1.99 -1.55 103.07 103.60 1vs8 h GLY 15 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1vs8 h GLY 15 CO 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 176.54 176.15 1vs8 n ALA 16 N -3.24 -0.18 -0.13 3.60 0.00 -1.15 -2.23 120.51 117.19 1vs8 n ALA 16 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.51 1vs8 n ALA 16 Cb 0.57 0.11 -0.05 0.00 0.00 0.00 0.00 19.45 20.07 1vs8 n ALA 16 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1vs8 h SER 17 N 0.00 -1.49 -1.10 0.00 4.64 -0.94 -0.98 113.55 113.67 1vs8 h SER 17 Ca 0.00 0.22 0.34 0.00 -0.47 0.00 0.00 61.79 61.88 1vs8 h SER 17 Cb 0.00 0.65 -0.13 0.00 -0.31 0.00 0.00 62.40 62.61 1vs8 h SER 17 CO 0.00 -0.38 0.68 0.03 -0.87 0.00 0.00 176.83 176.29 1vs8 h ARG 18 N -0.34 0.28 0.00 4.77 2.47 -1.35 0.66 114.38 120.86 1vs8 h ARG 18 Ca 0.13 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.81 1vs8 h ARG 18 Cb 0.59 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1vs8 h ARG 18 CO -0.58 0.18 -0.08 0.00 0.56 0.00 0.00 179.97 180.06 1vs8 h ARG 19 N 0.29 0.00 0.00 0.04 3.08 -0.71 -2.83 114.38 114.25 1vs8 h ARG 19 Ca 0.72 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.77 1vs8 h ARG 19 Cb 1.87 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.92 1vs8 h ARG 19 CO -0.46 0.08 -0.12 -0.07 -1.07 0.00 0.00 179.97 178.33 1vs8 h LEU 20 N 0.00 0.00 -2.56 3.04 3.38 0.52 -3.34 115.31 116.36 1vs8 h LEU 20 Ca -0.00 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1vs8 h LEU 20 Cb 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1vs8 h LEU 20 CO 0.01 0.57 0.11 -0.09 0.09 0.00 0.00 178.44 179.13 1vs8 h ARG 21 N -1.00 0.00 0.00 1.13 2.43 -1.40 0.44 114.38 115.98 1vs8 h ARG 21 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1vs8 h ARG 21 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1vs8 h ARG 21 CO -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 1vs8 n ALA 22 N -2.13 2.33 -2.28 2.80 0.00 -1.07 -2.34 120.51 117.83 1vs8 n ALA 22 Ca -0.02 -0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.33 1vs8 n ALA 22 Cb 0.19 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.35 1vs8 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs8 n ALA 23 N -0.92 2.24 -2.84 0.00 0.00 0.15 -5.01 120.51 114.14 1vs8 n ALA 23 Ca 0.14 -1.85 -0.11 0.00 0.00 0.00 0.00 53.44 51.63 1vs8 n ALA 23 Cb 0.07 -0.64 0.05 0.00 0.00 0.00 0.00 19.45 18.93 1vs8 n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1vs8 n ASN 24 N 0.26 -3.82 -2.83 0.00 3.02 -0.99 -4.94 115.26 105.96 1vs8 n ASN 24 Ca 0.04 -0.46 -0.11 0.00 -0.03 0.00 0.00 54.58 54.02 1vs8 n ASN 24 Cb 0.96 -3.74 0.06 0.00 -0.61 0.00 0.00 39.78 36.45 1vs8 n ASN 24 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1vs8 n LYS 25 N -2.91 1.02 -1.74 3.52 4.81 -0.87 -1.65 118.16 120.33 1vs8 n LYS 25 Ca -0.12 -2.27 -0.42 0.00 -0.87 0.00 0.00 58.31 54.63 1vs8 n LYS 25 Cb 0.60 -1.14 -0.03 0.00 0.02 0.00 0.00 35.03 34.48 1vs8 n LYS 25 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 1vs8 s PHE 26 N -0.39 2.58 0.03 5.64 -0.12 -1.25 -3.18 117.98 121.28 1vs8 s PHE 26 Ca 0.26 0.21 -0.30 0.00 -0.05 0.00 0.00 56.93 57.04 1vs8 s PHE 26 Cb 0.31 -4.14 -0.06 0.00 -0.63 0.00 0.00 43.02 38.51 1vs8 s PHE 26 CO -0.06 -4.47 1.31 -1.25 -0.05 0.00 0.00 175.22 170.70 1vs8 s PRO 27 N 1.89 4.34 0.54 1.99 0.04 -1.26 -3.49 135.00 139.05 1vs8 s PRO 27 Ca 0.77 1.88 0.04 0.00 0.04 0.00 0.00 61.00 63.73 1vs8 s PRO 27 Cb -0.47 -3.44 0.03 0.00 0.04 0.00 0.00 34.50 30.65 1vs8 s PRO 27 CO 0.34 -0.44 0.29 0.00 0.04 0.00 0.00 177.00 177.23 1vs8 s ALA 28 N 1.74 4.36 0.12 8.56 0.00 -0.95 -3.78 121.76 131.81 1vs8 s ALA 28 Ca 0.61 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.59 1vs8 s ALA 28 Cb -0.31 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1vs8 s ALA 28 CO 0.27 -0.33 -0.01 -1.50 0.00 0.00 0.00 175.76 174.19 1vs8 s ILE 29 N -2.81 0.44 -0.23 0.00 1.10 -0.02 -2.60 121.20 117.08 1vs8 s ILE 29 Ca 0.26 -1.92 -0.03 0.00 -0.51 0.00 0.00 60.65 58.45 1vs8 s ILE 29 Cb -0.01 -1.87 0.12 0.00 0.15 0.00 0.00 42.46 40.84 1vs8 s ILE 29 CO 0.16 -0.68 0.30 -0.63 -2.11 0.00 0.00 174.94 171.98 1vs8 s ILE 30 N -3.80 -0.45 0.24 2.00 1.01 0.15 -0.60 121.20 119.75 1vs8 s ILE 30 Ca 0.18 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.69 1vs8 s ILE 30 Cb 0.07 -0.79 -0.05 0.00 0.01 0.00 0.00 42.46 41.70 1vs8 s ILE 30 CO -0.02 -0.22 0.02 -0.72 0.00 0.00 0.00 174.94 174.01 1vs8 s TYR 31 N 2.42 1.54 0.00 3.97 -0.85 -0.46 -0.19 117.35 123.79 1vs8 s TYR 31 Ca 0.10 -0.98 0.00 0.00 -0.52 0.00 0.00 57.07 55.66 1vs8 s TYR 31 Cb -0.15 -0.91 0.00 0.00 0.38 0.00 0.00 41.96 41.28 1vs8 s TYR 31 CO -0.17 -0.11 0.00 0.41 -1.52 0.00 0.00 175.55 174.16 1vs8 n GLY 32 N -0.43 3.33 0.00 5.49 0.00 -1.26 0.03 105.19 112.35 1vs8 n GLY 32 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1vs8 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs8 n GLY 33 N 0.00 -0.08 0.02 -0.02 0.00 -1.26 -4.53 105.19 99.32 1vs8 n GLY 33 Ca 0.00 -1.93 0.11 0.00 0.00 0.00 0.00 46.02 44.20 1vs8 n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vs8 n LYS 34 N 0.00 0.45 -2.16 1.61 4.81 -1.26 -4.92 118.16 116.70 1vs8 n LYS 34 Ca 0.00 -0.10 -0.42 0.00 -0.87 0.00 0.00 58.31 56.92 1vs8 n LYS 34 Cb 0.00 -1.55 -0.03 0.00 0.02 0.00 0.00 35.03 33.47 1vs8 n LYS 34 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1vs8 s GLU 35 N -3.34 4.27 0.32 1.64 0.41 -1.26 -4.96 118.70 115.77 1vs8 s GLU 35 Ca -0.02 2.05 -0.29 0.00 -0.41 0.00 0.00 54.97 56.30 1vs8 s GLU 35 Cb 0.14 -3.55 -0.13 0.00 -1.78 0.00 0.00 34.13 28.81 1vs8 s GLU 35 CO 0.87 -0.60 1.28 0.00 -0.49 0.00 0.00 175.26 176.32 1vs8 n ALA 36 N 5.31 1.08 -1.50 5.21 0.00 -1.26 -4.57 120.51 124.78 1vs8 n ALA 36 Ca 0.14 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.52 1vs8 n ALA 36 Cb 0.43 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1vs8 n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1vs8 n PRO 37 N 0.87 0.80 -4.33 0.00 -0.02 -1.26 -4.95 135.00 126.11 1vs8 n PRO 37 Ca 0.07 0.29 -0.34 0.00 -2.02 0.00 0.00 63.50 61.49 1vs8 n PRO 37 Cb 0.35 -1.62 -0.14 0.00 -0.02 0.00 0.00 33.50 32.07 1vs8 n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1vs8 s LEU 38 N 1.20 2.90 -0.41 2.45 2.96 0.73 -4.93 118.68 123.57 1vs8 s LEU 38 Ca 0.62 -0.32 -0.09 0.00 -0.22 0.00 0.00 54.13 54.13 1vs8 s LEU 38 Cb -0.64 -1.70 0.07 0.00 0.50 0.00 0.00 46.19 44.42 1vs8 s LEU 38 CO 0.58 0.09 0.25 0.00 -1.32 0.00 0.00 176.35 175.95 1vs8 s ALA 39 N 0.83 3.28 0.47 5.97 0.00 -1.26 -0.68 121.76 130.37 1vs8 s ALA 39 Ca -0.02 -2.12 0.03 0.00 0.00 0.00 0.00 51.96 49.85 1vs8 s ALA 39 Cb -0.15 -2.63 0.03 0.00 0.00 0.00 0.00 23.12 20.38 1vs8 s ALA 39 CO 0.01 -1.63 0.29 0.44 0.00 0.00 0.00 175.76 174.88 1vs8 n ILE 40 N 4.91 0.00 -3.49 0.00 -5.35 -1.07 0.10 119.36 114.46 1vs8 n ILE 40 Ca -0.10 -1.95 -0.27 0.00 -0.27 0.00 0.00 62.75 60.16 1vs8 n ILE 40 Cb 0.43 0.01 -0.10 0.00 -1.74 0.00 0.00 39.64 38.24 1vs8 n ILE 40 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1vs8 n GLU 41 N -1.53 0.75 -0.38 6.28 1.02 0.95 -2.24 120.64 125.49 1vs8 n GLU 41 Ca -0.05 -3.56 -0.29 0.00 -0.02 0.00 0.00 57.16 53.24 1vs8 n GLU 41 Cb 0.55 -1.79 0.27 0.00 -0.02 0.00 0.00 31.44 30.45 1vs8 n GLU 41 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1vs8 n LEU 42 N 2.36 -1.31 -4.43 -4.62 4.77 -1.23 -4.38 117.00 108.16 1vs8 n LEU 42 Ca 0.27 -0.48 -0.41 0.00 -0.03 0.00 0.00 56.01 55.35 1vs8 n LEU 42 Cb 0.45 -1.11 -0.11 0.00 -2.33 0.00 0.00 43.42 40.32 1vs8 n LEU 42 CO 0.15 -3.86 -0.12 -0.62 -1.33 0.00 0.00 177.39 171.61 1vs8 s ASP 43 N -2.60 5.91 0.06 -1.43 2.15 -1.26 -3.91 116.67 115.59 1vs8 s ASP 43 Ca 0.66 -0.86 -0.25 0.00 0.43 0.00 0.00 52.55 52.53 1vs8 s ASP 43 Cb -0.19 -2.09 -0.12 0.00 -0.30 0.00 0.00 42.92 40.22 1vs8 s ASP 43 CO 0.61 -0.38 1.39 -0.74 -0.17 0.00 0.00 175.17 175.88 1vs8 h HIS 44 N 8.52 -0.98 0.00 -5.34 -0.00 -1.65 -1.21 115.15 114.48 1vs8 h HIS 44 Ca -0.27 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.10 1vs8 h HIS 44 Cb 1.12 0.38 0.00 0.00 -0.00 0.00 0.00 27.41 28.91 1vs8 h HIS 44 CO 0.58 -0.48 0.00 -0.40 -0.00 0.00 0.00 177.93 177.63 1vs8 n ASP 45 N -4.54 0.02 0.08 3.26 5.75 -1.26 -1.89 116.55 117.97 1vs8 n ASP 45 Ca -0.09 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 1vs8 n ASP 45 Cb 0.33 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1vs8 n ASP 45 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1vs8 n LYS 46 N 0.23 0.00 0.30 0.11 4.01 -1.02 -4.76 118.16 117.03 1vs8 n LYS 46 Ca 0.00 0.00 0.19 0.00 -0.51 0.00 0.00 58.31 57.99 1vs8 n LYS 46 Cb 0.01 -0.20 1.01 0.00 -0.51 0.00 0.00 35.03 35.34 1vs8 n LYS 46 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1vs8 h VAL 47 N 0.00 0.24 -0.08 -0.18 2.07 -1.09 0.11 116.25 117.32 1vs8 h VAL 47 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1vs8 h VAL 47 Cb 0.00 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1vs8 h VAL 47 CO 0.00 0.00 -0.42 -0.03 0.02 0.00 0.00 177.57 177.14 1vs8 h MET 48 N 0.00 0.18 0.00 1.57 1.85 -1.60 0.13 114.93 117.06 1vs8 h MET 48 Ca 0.02 -0.08 -0.17 0.00 -0.61 0.00 0.00 59.70 58.86 1vs8 h MET 48 Cb 0.19 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.19 1vs8 h MET 48 CO -0.00 0.57 -0.83 -0.91 -0.40 0.00 0.00 176.91 175.35 1vs8 h ASN 49 N 0.15 0.00 0.62 1.39 2.35 -1.05 -3.14 115.58 115.91 1vs8 h ASN 49 Ca 0.01 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.50 1vs8 h ASN 49 Cb 0.81 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.18 1vs8 h ASN 49 CO 0.06 0.76 -1.16 -0.03 -1.65 0.00 0.00 177.43 175.42 1vs8 h MET 50 N 0.00 0.26 0.00 0.81 4.05 -1.05 -3.07 114.93 115.93 1vs8 h MET 50 Ca -0.02 -0.41 0.00 0.00 -0.28 0.00 0.00 59.70 58.99 1vs8 h MET 50 Cb 1.60 0.15 0.00 0.00 -0.80 0.00 0.00 31.60 32.55 1vs8 h MET 50 CO 0.10 1.17 0.00 0.00 0.23 0.00 0.00 176.91 178.41 1vs8 n GLN 51 N -3.55 0.08 0.20 0.39 -0.00 0.44 -3.06 117.38 111.88 1vs8 n GLN 51 Ca -0.07 0.23 0.17 0.00 -0.00 0.00 0.00 57.00 57.33 1vs8 n GLN 51 Cb 0.98 -1.63 0.83 0.00 -0.00 0.00 0.00 30.24 30.42 1vs8 n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1vs8 h ALA 52 N 2.56 1.79 -2.42 2.61 0.00 -1.48 -3.43 119.26 118.89 1vs8 h ALA 52 Ca 0.00 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.40 1vs8 h ALA 52 Cb 0.39 0.01 0.07 0.00 0.00 0.00 0.00 17.79 18.27 1vs8 h ALA 52 CO 0.00 -0.31 0.41 0.15 0.00 0.00 0.00 179.25 179.50 1vs8 s LYS 53 N -4.61 3.13 0.02 0.00 -0.14 -1.17 -4.97 119.74 112.01 1vs8 s LYS 53 Ca -0.05 0.60 0.23 0.00 -1.36 0.00 0.00 55.97 55.40 1vs8 s LYS 53 Cb 0.15 -2.04 0.19 0.00 -1.68 0.00 0.00 37.83 34.45 1vs8 s LYS 53 CO 0.54 -0.87 1.17 0.00 -0.76 0.00 0.00 175.35 175.43 1vs8 n ALA 54 N -2.92 3.74 0.09 5.17 0.00 -1.26 -3.82 120.51 121.51 1vs8 n ALA 54 Ca 0.07 -0.42 -0.06 0.00 0.00 0.00 0.00 53.44 53.03 1vs8 n ALA 54 Cb 0.56 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 19.06 1vs8 n ALA 54 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vs8 h GLU 55 N 0.00 0.14 -0.87 0.00 4.39 -1.93 -3.31 114.58 113.00 1vs8 h GLU 55 Ca 0.00 -0.13 0.23 0.00 0.34 0.00 0.00 59.36 59.79 1vs8 h GLU 55 Cb 0.59 0.03 -0.15 0.00 -0.10 0.00 0.00 28.75 29.12 1vs8 h GLU 55 CO 0.00 0.84 0.10 0.35 -1.16 0.00 0.00 179.01 179.14 1vs8 h PHE 56 N 0.09 0.10 -0.63 4.33 3.57 -1.86 0.13 116.94 122.67 1vs8 h PHE 56 Ca -0.02 0.06 -0.32 0.00 3.53 0.00 0.00 57.97 61.21 1vs8 h PHE 56 Cb 1.36 0.10 -0.19 0.00 2.79 0.00 0.00 35.95 40.00 1vs8 h PHE 56 CO 0.02 -0.29 0.41 0.66 -2.23 0.00 0.00 178.31 176.87 1vs8 n TYR 57 N -5.35 1.93 0.01 0.41 4.02 -1.25 -4.45 117.16 112.50 1vs8 n TYR 57 Ca 0.20 -1.33 0.00 0.00 -0.01 0.00 0.00 57.90 56.75 1vs8 n TYR 57 Cb 0.64 -0.68 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 1vs8 n TYR 57 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1vs8 n SER 58 N -0.52 0.03 -4.77 7.72 2.88 0.39 -4.96 113.62 114.39 1vs8 n SER 58 Ca 0.37 0.04 -0.38 0.00 -1.33 0.00 0.00 58.87 57.57 1vs8 n SER 58 Cb 1.24 0.02 -0.05 0.00 -0.75 0.00 0.00 64.21 64.66 1vs8 n SER 58 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1vs8 s GLU 59 N -1.11 4.56 1.16 -1.46 2.02 -0.84 -5.03 118.70 118.01 1vs8 s GLU 59 Ca 0.00 1.50 -0.14 0.00 0.02 0.00 0.00 54.97 56.36 1vs8 s GLU 59 Cb 0.00 -2.93 0.26 0.00 0.10 0.00 0.00 34.13 31.56 1vs8 s GLU 59 CO 0.00 0.22 0.86 1.33 0.02 0.00 0.00 175.26 177.69 1vs8 n VAL 60 N 0.75 0.00 -4.34 2.63 0.24 -1.26 -4.79 118.33 111.57 1vs8 n VAL 60 Ca 0.01 -0.41 -0.17 0.00 -2.04 0.00 0.00 64.34 61.73 1vs8 n VAL 60 Cb 0.48 -0.93 -0.10 0.00 -1.47 0.00 0.00 33.84 31.82 1vs8 n VAL 60 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1vs8 s LEU 61 N -6.25 2.16 -0.19 1.34 1.43 0.30 -4.37 118.68 113.09 1vs8 s LEU 61 Ca 0.67 -1.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1vs8 s LEU 61 Cb -0.23 -0.26 0.03 0.00 0.03 0.00 0.00 46.19 45.76 1vs8 s LEU 61 CO 0.65 -0.53 -0.14 0.42 0.23 0.00 0.00 176.35 176.98 1vs8 s THR 62 N -3.43 1.81 -0.35 5.49 -4.23 -0.04 -1.41 115.64 113.48 1vs8 s THR 62 Ca 0.29 -0.98 -0.12 0.00 -1.18 0.00 0.00 61.69 59.71 1vs8 s THR 62 Cb 0.06 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 72.13 1vs8 s THR 62 CO 0.09 0.31 0.21 -0.63 -0.54 0.00 0.00 174.62 174.07 1vs8 s ILE 63 N 1.35 4.90 -1.54 2.99 1.09 -1.25 0.08 121.20 128.82 1vs8 s ILE 63 Ca 0.01 -0.50 -0.10 0.00 -1.10 0.00 0.00 60.65 58.96 1vs8 s ILE 63 Cb -0.15 -3.59 -0.03 0.00 -1.06 0.00 0.00 42.46 37.63 1vs8 s ILE 63 CO -0.10 -0.08 2.69 0.52 -0.10 0.00 0.00 174.94 177.87 1vs8 n VAL 64 N 5.05 4.21 -2.91 2.92 0.31 0.20 -4.50 118.33 123.61 1vs8 n VAL 64 Ca -0.13 -2.93 -0.41 0.00 -0.01 0.00 0.00 64.34 60.86 1vs8 n VAL 64 Cb 0.48 -2.55 -0.04 0.00 -0.91 0.00 0.00 33.84 30.82 1vs8 n VAL 64 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1vs8 s VAL 65 N 2.01 4.97 0.00 2.52 0.11 -1.25 -3.33 120.40 125.43 1vs8 s VAL 65 Ca 0.62 1.70 0.00 0.00 -2.93 0.00 0.00 61.98 61.37 1vs8 s VAL 65 Cb 0.17 -4.16 0.00 0.00 -1.53 0.00 0.00 36.38 30.86 1vs8 s VAL 65 CO -0.07 0.22 0.00 -0.67 -3.33 0.00 0.00 175.10 171.25 1vs8 n ASP 66 N 3.80 0.00 0.00 3.54 4.64 -1.15 -1.06 116.55 126.32 1vs8 n ASP 66 Ca 0.02 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.43 1vs8 n ASP 66 Cb 0.51 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.59 1vs8 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1vs8 n GLY 67 N 0.00 0.20 0.00 0.27 0.00 -1.26 -5.14 105.19 99.27 1vs8 n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vs8 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vs8 n LYS 68 N 0.00 3.29 -4.22 1.61 4.76 -0.23 -5.09 118.16 118.29 1vs8 n LYS 68 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 1vs8 n LYS 68 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 1vs8 n LYS 68 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1vs8 s GLU 69 N 2.83 1.26 0.00 1.97 2.56 -1.26 -4.45 118.70 121.61 1vs8 s GLU 69 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 54.97 53.30 1vs8 s GLU 69 Cb 0.00 0.22 0.00 0.00 2.00 0.00 0.00 34.13 36.35 1vs8 s GLU 69 CO 0.00 -0.40 0.00 0.44 -0.56 0.00 0.00 175.26 174.74 1vs8 n ILE 70 N -0.31 0.00 -2.80 -3.70 -6.64 -1.26 -5.00 119.36 99.65 1vs8 n ILE 70 Ca 0.02 0.00 -0.01 0.00 -1.77 0.00 0.00 62.75 60.99 1vs8 n ILE 70 Cb 0.66 0.00 -0.01 0.00 -1.44 0.00 0.00 39.64 38.85 1vs8 n ILE 70 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 1vs8 n LYS 71 N -1.98 -3.04 -1.87 6.28 4.76 -1.25 -4.59 118.16 116.47 1vs8 n LYS 71 Ca 0.00 2.50 0.00 0.00 -2.87 0.00 0.00 58.31 57.94 1vs8 n LYS 71 Cb 0.00 -4.49 0.00 0.00 -1.84 0.00 0.00 35.03 28.70 1vs8 n LYS 71 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1vs8 n VAL 72 N 0.97 0.00 -4.12 -0.18 0.24 -0.50 -3.85 118.33 110.88 1vs8 n VAL 72 Ca -0.05 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.17 1vs8 n VAL 72 Cb 0.16 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.43 1vs8 n VAL 72 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1vs8 s LYS 73 N -1.80 0.71 0.07 7.34 1.02 -0.84 0.11 119.74 126.35 1vs8 s LYS 73 Ca 0.00 -1.28 -0.28 0.00 0.02 0.00 0.00 55.97 54.44 1vs8 s LYS 73 Cb 0.00 0.05 -0.05 0.00 -0.52 0.00 0.00 37.83 37.30 1vs8 s LYS 73 CO 0.00 -0.08 0.87 0.00 -0.92 0.00 0.00 175.35 175.22 1vs8 s ALA 74 N -3.81 3.29 0.00 5.17 0.00 -1.26 -0.20 121.76 124.95 1vs8 s ALA 74 Ca 0.10 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1vs8 s ALA 74 Cb 0.07 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1vs8 s ALA 74 CO -0.07 -0.01 0.00 0.94 0.00 0.00 0.00 175.76 176.62 1vs8 n GLN 75 N 2.93 0.00 -2.85 0.00 -0.06 0.11 -4.80 117.38 112.70 1vs8 n GLN 75 Ca 0.01 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 54.70 1vs8 n GLN 75 Cb 0.50 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.65 1vs8 n GLN 75 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1vs8 s ASP 76 N 0.04 6.52 -0.18 1.69 2.15 -1.25 -4.90 116.67 120.73 1vs8 s ASP 76 Ca 0.00 1.14 -0.05 0.00 0.43 0.00 0.00 52.55 54.07 1vs8 s ASP 76 Cb 0.00 -2.32 0.06 0.00 -0.30 0.00 0.00 42.92 40.36 1vs8 s ASP 76 CO 0.00 -0.40 0.09 -0.69 -0.17 0.00 0.00 175.17 174.00 1vs8 s VAL 77 N -2.37 -0.07 -0.33 1.11 1.01 -1.26 -1.20 120.40 117.29 1vs8 s VAL 77 Ca 0.51 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 62.07 1vs8 s VAL 77 Cb -0.10 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 1vs8 s VAL 77 CO 0.31 -0.33 0.52 -1.10 0.00 0.00 0.00 175.10 174.51 1vs8 s GLN 78 N 2.13 3.73 0.15 2.72 -0.21 0.39 -5.03 119.66 123.55 1vs8 s GLN 78 Ca 0.03 -0.03 0.09 0.00 0.02 0.00 0.00 55.36 55.47 1vs8 s GLN 78 Cb -0.16 -3.77 -0.04 0.00 1.00 0.00 0.00 33.01 30.04 1vs8 s GLN 78 CO -0.12 -0.58 -0.15 -0.98 -2.12 0.00 0.00 175.29 171.33 1vs8 s ARG 79 N 2.41 1.86 0.57 2.91 1.70 -1.26 -0.05 118.95 127.08 1vs8 s ARG 79 Ca 0.20 -1.27 -0.21 0.00 -0.47 0.00 0.00 55.73 53.98 1vs8 s ARG 79 Cb -0.15 -2.09 -0.04 0.00 -0.57 0.00 0.00 34.95 32.09 1vs8 s ARG 79 CO 0.13 0.45 1.35 -1.58 -1.08 0.00 0.00 175.30 174.56 1vs8 s HIS 80 N -1.46 2.22 0.16 5.89 5.65 -1.17 -4.87 115.29 121.71 1vs8 s HIS 80 Ca 0.21 1.40 -0.20 0.00 0.25 0.00 0.00 55.06 56.71 1vs8 s HIS 80 Cb -0.09 -3.79 0.07 0.00 -1.18 0.00 0.00 32.58 27.59 1vs8 s HIS 80 CO 0.12 -2.95 1.63 -1.35 -0.65 0.00 0.00 174.74 171.55 1vs8 h PRO 81 N 1.22 -0.17 0.00 2.88 0.11 -1.99 -3.37 132.00 130.68 1vs8 h PRO 81 Ca -0.51 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1vs8 h PRO 81 Cb 1.31 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1vs8 h PRO 81 CO 0.56 -0.11 -0.60 2.48 -0.21 0.00 0.00 178.00 180.12 1vs8 n TYR 82 N -5.38 0.00 -2.84 0.65 0.18 -1.26 -5.04 117.16 103.47 1vs8 n TYR 82 Ca 0.01 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.38 1vs8 n TYR 82 Cb 0.29 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.21 1vs8 n TYR 82 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1vs8 s LYS 83 N -1.34 4.59 0.37 -3.48 -0.14 -1.26 -4.90 119.74 113.58 1vs8 s LYS 83 Ca 0.00 1.27 0.20 0.00 -1.36 0.00 0.00 55.97 56.07 1vs8 s LYS 83 Cb 0.00 -3.39 1.07 0.00 -1.68 0.00 0.00 37.83 33.83 1vs8 s LYS 83 CO 0.00 0.18 1.56 -1.35 -0.76 0.00 0.00 175.35 174.98 1vs8 h PRO 84 N 5.90 0.00 -6.63 -1.68 0.11 -1.96 -3.38 132.00 124.35 1vs8 h PRO 84 Ca -0.43 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.13 1vs8 h PRO 84 Cb 1.21 0.00 0.20 0.00 0.11 0.00 0.00 31.00 32.52 1vs8 h PRO 84 CO 0.72 0.00 -0.61 1.63 -0.21 0.00 0.00 178.00 179.53 1vs8 n LYS 85 N -2.26 0.04 -4.27 1.05 4.76 -1.26 -4.90 118.16 111.32 1vs8 n LYS 85 Ca -0.01 0.05 -0.24 0.00 -2.87 0.00 0.00 58.31 55.24 1vs8 n LYS 85 Cb 0.19 -1.75 -0.08 0.00 -1.84 0.00 0.00 35.03 31.56 1vs8 n LYS 85 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1vs8 s LEU 86 N 0.29 3.09 0.00 -0.35 1.43 -1.26 -3.03 118.68 118.84 1vs8 s LEU 86 Ca 0.60 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1vs8 s LEU 86 Cb -0.28 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1vs8 s LEU 86 CO 0.64 -0.18 0.00 0.00 0.23 0.00 0.00 176.35 177.04 1vs8 n GLN 87 N -0.98 0.45 -1.01 1.70 6.02 0.92 -4.76 117.38 119.73 1vs8 n GLN 87 Ca -0.04 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.57 1vs8 n GLN 87 Cb 0.61 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.83 1vs8 n GLN 87 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1vs8 n HIS 88 N 0.00 0.12 -4.27 1.08 -0.00 -1.21 -4.50 115.22 106.44 1vs8 n HIS 88 Ca 0.00 0.71 -0.24 0.00 -0.00 0.00 0.00 57.72 58.19 1vs8 n HIS 88 Cb 0.00 -1.41 -0.17 0.00 -0.00 0.00 0.00 29.99 28.42 1vs8 n HIS 88 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1vs8 s ILE 89 N -0.28 0.90 -0.04 3.57 -1.09 -1.25 -0.46 121.20 122.55 1vs8 s ILE 89 Ca 0.55 -0.30 -0.15 0.00 -2.23 0.00 0.00 60.65 58.53 1vs8 s ILE 89 Cb -0.78 -0.87 -0.05 0.00 -1.58 0.00 0.00 42.46 39.17 1vs8 s ILE 89 CO 0.39 0.32 0.39 -1.81 -1.23 0.00 0.00 174.94 173.00 1vs8 s ASP 90 N 1.04 6.74 -0.11 3.58 -0.00 -0.34 -0.84 116.67 126.73 1vs8 s ASP 90 Ca -0.08 0.87 0.03 0.00 -0.00 0.00 0.00 52.55 53.37 1vs8 s ASP 90 Cb -0.14 -2.24 0.01 0.00 -0.00 0.00 0.00 42.92 40.55 1vs8 s ASP 90 CO -0.00 0.27 -0.20 -0.36 -0.00 0.00 0.00 175.17 174.87 1vs8 s PHE 91 N -0.71 2.35 -0.42 4.23 2.99 0.24 -0.72 117.98 125.95 1vs8 s PHE 91 Ca 0.23 -1.07 -0.20 0.00 0.00 0.00 0.00 56.93 55.88 1vs8 s PHE 91 Cb -0.16 -1.62 0.02 0.00 0.00 0.00 0.00 43.02 41.26 1vs8 s PHE 91 CO 0.12 -0.49 0.62 0.54 -0.00 0.00 0.00 175.22 176.01 1vs8 s VAL 92 N 0.69 4.86 1.22 -0.44 0.11 0.72 -1.35 120.40 126.22 1vs8 s VAL 92 Ca -0.11 0.19 -0.14 0.00 -2.93 0.00 0.00 61.98 58.99 1vs8 s VAL 92 Cb -0.16 -4.16 0.31 0.00 -1.53 0.00 0.00 36.38 30.84 1vs8 s VAL 92 CO 0.02 -0.51 1.00 -0.60 -3.33 0.00 0.00 175.10 171.68 1vs8 s ARG 93 N 2.74 -1.40 0.00 1.54 3.52 0.10 -1.98 118.95 123.48 1vs8 s ARG 93 Ca 0.22 0.74 0.16 0.00 -0.13 0.00 0.00 55.73 56.72 1vs8 s ARG 93 Cb -0.14 -1.51 0.13 0.00 -1.56 0.00 0.00 34.95 31.87 1vs8 s ARG 93 CO 0.18 -4.02 1.01 0.00 -0.81 0.00 0.00 175.30 171.66