#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs7 n ARG 2 N 0.00 -6.93 -3.58 0.54 1.74 -1.26 -5.00 116.66 102.17 1vs7 n ARG 2 Ca 0.00 0.79 -0.24 0.00 -0.77 0.00 0.00 57.85 57.63 1vs7 n ARG 2 Cb 0.00 -5.77 0.03 0.00 -1.02 0.00 0.00 32.46 25.70 1vs7 n ARG 2 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1vs7 s SER 3 N -3.81 4.76 -0.25 0.55 1.04 -1.26 -5.07 113.70 109.66 1vs7 s SER 3 Ca 0.32 -1.16 0.20 0.00 0.48 0.00 0.00 55.95 55.79 1vs7 s SER 3 Cb -0.15 0.52 0.49 0.00 0.10 0.00 0.00 66.02 66.99 1vs7 s SER 3 CO 0.75 -1.27 1.13 0.18 0.98 0.00 0.00 173.24 175.01 1vs7 n LEU 4 N -2.00 2.18 0.00 2.42 4.32 -1.26 -5.05 117.00 117.62 1vs7 n LEU 4 Ca 0.05 -3.30 0.00 0.00 -0.02 0.00 0.00 56.01 52.74 1vs7 n LEU 4 Cb 0.64 0.28 0.00 0.00 -1.62 0.00 0.00 43.42 42.72 1vs7 n LEU 4 CO 0.39 1.21 0.00 0.29 -1.22 0.00 0.00 177.39 178.05 1vs7 n LYS 5 N -0.56 0.00 -3.69 3.23 4.01 -1.26 -4.37 118.16 115.52 1vs7 n LYS 5 Ca 0.14 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.83 1vs7 n LYS 5 Cb 0.85 0.00 -0.11 0.00 -0.51 0.00 0.00 35.03 35.26 1vs7 n LYS 5 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1vs7 s LYS 6 N 0.00 0.34 0.00 1.97 -0.14 -1.26 -5.11 119.74 115.54 1vs7 s LYS 6 Ca 0.00 0.79 0.00 0.00 -1.36 0.00 0.00 55.97 55.40 1vs7 s LYS 6 Cb 0.00 0.02 0.00 0.00 -1.68 0.00 0.00 37.83 36.17 1vs7 s LYS 6 CO 0.00 -0.18 0.00 0.41 -0.76 0.00 0.00 175.35 174.82 1vs7 n GLY 7 N 4.51 1.49 0.00 -3.33 0.00 -1.26 -5.11 105.19 101.48 1vs7 n GLY 7 Ca -0.20 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1vs7 n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1vs7 n PRO 8 N 2.73 2.75 -3.65 1.61 -0.02 -1.26 -4.82 135.00 132.34 1vs7 n PRO 8 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 1vs7 n PRO 8 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.41 1vs7 n PRO 8 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1vs7 s PHE 9 N 0.00 -0.06 -0.30 6.00 2.19 -1.26 -5.04 117.98 119.52 1vs7 s PHE 9 Ca 0.00 0.13 -0.11 0.00 0.33 0.00 0.00 56.93 57.28 1vs7 s PHE 9 Cb 0.00 0.37 0.13 0.00 -1.31 0.00 0.00 43.02 42.21 1vs7 s PHE 9 CO 0.00 -0.03 0.71 0.96 1.83 0.00 0.00 175.22 178.69 1vs7 s ILE 10 N 0.29 -0.83 0.51 3.12 -4.36 -1.26 -0.75 121.20 117.91 1vs7 s ILE 10 Ca 0.03 0.00 -0.19 0.00 -0.26 0.00 0.00 60.65 60.24 1vs7 s ILE 10 Cb -0.04 -1.00 -0.13 0.00 1.25 0.00 0.00 42.46 42.54 1vs7 s ILE 10 CO -0.14 0.00 0.16 0.47 0.24 0.00 0.00 174.94 175.67 1vs7 n ASP 11 N 5.26 -2.50 0.13 4.36 9.92 -1.26 -4.74 116.55 127.73 1vs7 n ASP 11 Ca -0.12 0.72 -0.13 0.00 -0.53 0.00 0.00 54.79 54.72 1vs7 n ASP 11 Cb 0.50 -0.98 -0.06 0.00 -0.64 0.00 0.00 41.12 39.94 1vs7 n ASP 11 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1vs7 h LEU 12 N 0.17 -0.45 -0.25 0.64 7.12 -2.01 -2.63 115.31 117.90 1vs7 h LEU 12 Ca -0.42 0.04 0.05 0.00 0.13 0.00 0.00 57.88 57.68 1vs7 h LEU 12 Cb 1.43 0.16 -0.08 0.00 -0.53 0.00 0.00 40.66 41.64 1vs7 h LEU 12 CO 0.45 -0.26 -0.46 1.12 -0.13 0.00 0.00 178.44 179.16 1vs7 h HIS 13 N -0.38 -1.35 -0.80 1.25 2.07 -2.00 -1.10 115.15 112.85 1vs7 h HIS 13 Ca 0.00 0.06 0.09 0.00 -2.85 0.00 0.00 60.37 57.67 1vs7 h HIS 13 Cb 0.35 0.62 -0.07 0.00 2.57 0.00 0.00 27.41 30.88 1vs7 h HIS 13 CO -0.14 -0.48 0.45 1.37 -3.07 0.00 0.00 177.93 176.06 1vs7 h LEU 14 N -0.45 0.64 -0.82 6.12 8.10 -1.91 -2.11 115.31 124.88 1vs7 h LEU 14 Ca 0.09 0.05 -0.07 0.00 0.11 0.00 0.00 57.88 58.06 1vs7 h LEU 14 Cb 0.62 -0.07 -0.03 0.00 -0.44 0.00 0.00 40.66 40.74 1vs7 h LEU 14 CO -0.48 0.36 0.11 0.25 -4.11 0.00 0.00 178.44 174.57 1vs7 h LEU 15 N 0.76 0.95 -2.06 0.17 6.46 -1.02 0.16 115.31 120.73 1vs7 h LEU 15 Ca 0.39 -0.21 0.10 0.00 -0.12 0.00 0.00 57.88 58.04 1vs7 h LEU 15 Cb 0.36 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 1vs7 h LEU 15 CO -0.25 0.94 0.28 0.11 -0.62 0.00 0.00 178.44 178.91 1vs7 h LYS 16 N 0.94 0.00 0.00 1.25 1.57 -0.51 0.06 116.57 119.88 1vs7 h LYS 16 Ca 0.19 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.53 1vs7 h LYS 16 Cb 0.40 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.64 1vs7 h LYS 16 CO 0.01 0.00 -2.47 1.63 -0.57 0.00 0.00 179.45 178.05 1vs7 n LYS 17 N -4.20 0.60 -0.03 3.15 4.76 -0.96 -3.85 118.16 117.63 1vs7 n LYS 17 Ca 0.06 0.26 0.11 0.00 -2.87 0.00 0.00 58.31 55.86 1vs7 n LYS 17 Cb 0.46 -1.51 0.51 0.00 -1.84 0.00 0.00 35.03 32.65 1vs7 n LYS 17 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 1vs7 h VAL 18 N -0.82 0.93 -0.55 -0.18 3.04 -0.60 0.32 116.25 118.39 1vs7 h VAL 18 Ca -0.67 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 64.90 1vs7 h VAL 18 Cb 1.66 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1vs7 h VAL 18 CO -0.35 0.07 0.00 1.21 -1.01 0.00 0.00 177.57 177.48 1vs7 n GLU 19 N -4.47 3.70 -0.07 4.17 4.07 -0.00 -4.14 120.64 123.89 1vs7 n GLU 19 Ca 0.07 -2.58 -0.13 0.00 -0.06 0.00 0.00 57.16 54.47 1vs7 n GLU 19 Cb 0.31 -1.92 -0.06 0.00 -0.06 0.00 0.00 31.44 29.70 1vs7 n GLU 19 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1vs7 n LYS 20 N 0.85 0.35 0.00 5.31 0.00 0.11 -4.44 118.16 120.33 1vs7 n LYS 20 Ca 0.23 0.11 0.08 0.00 0.00 0.00 0.00 58.31 58.72 1vs7 n LYS 20 Cb 0.88 -1.19 0.44 0.00 0.00 0.00 0.00 35.03 35.16 1vs7 n LYS 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vs7 n ALA 21 N -3.22 2.02 -0.55 3.14 0.00 -0.70 -3.95 120.51 117.24 1vs7 n ALA 21 Ca -0.27 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1vs7 n ALA 21 Cb 0.75 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1vs7 n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vs7 n VAL 22 N -1.05 0.00 -0.27 0.00 0.31 -1.26 -2.39 118.33 113.67 1vs7 n VAL 22 Ca 0.11 1.22 0.33 0.00 -0.01 0.00 0.00 64.34 65.99 1vs7 n VAL 22 Cb 0.06 -2.05 0.74 0.00 -0.91 0.00 0.00 33.84 31.69 1vs7 n VAL 22 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1vs7 h GLU 23 N 0.00 0.00 -1.08 5.55 4.81 -1.90 0.57 114.58 122.53 1vs7 h GLU 23 Ca 0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1vs7 h GLU 23 Cb 0.00 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.23 1vs7 h GLU 23 CO 0.00 0.00 0.34 -1.13 -0.73 0.00 0.00 179.01 177.49 1vs7 n SER 24 N -4.19 3.84 0.00 1.04 3.41 -1.00 -4.97 113.62 111.74 1vs7 n SER 24 Ca 0.23 -2.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.01 1vs7 n SER 24 Cb 1.14 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1vs7 n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vs7 n GLY 25 N -0.21 1.60 3.37 5.00 0.00 0.20 -4.60 105.19 110.56 1vs7 n GLY 25 Ca 0.29 0.54 -0.28 0.00 0.00 0.00 0.00 46.02 46.57 1vs7 n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vs7 n ASP 26 N 6.89 2.31 0.00 1.61 9.92 -1.26 -4.40 116.55 131.62 1vs7 n ASP 26 Ca 0.00 -3.12 0.00 0.00 -0.53 0.00 0.00 54.79 51.14 1vs7 n ASP 26 Cb 0.00 0.66 0.00 0.00 -0.64 0.00 0.00 41.12 41.14 1vs7 n ASP 26 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1vs7 n LYS 27 N -1.06 0.00 -0.60 -1.24 2.85 -1.26 -5.11 118.16 111.75 1vs7 n LYS 27 Ca -0.13 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.83 1vs7 n LYS 27 Cb 0.61 0.00 0.20 0.00 -0.65 0.00 0.00 35.03 35.19 1vs7 n LYS 27 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1vs7 n LYS 28 N 0.00 -1.38 0.00 -1.58 0.00 -1.26 -4.83 118.16 109.11 1vs7 n LYS 28 Ca 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 58.31 57.96 1vs7 n LYS 28 Cb 0.00 -2.21 0.00 0.00 -0.00 0.00 0.00 35.03 32.82 1vs7 n LYS 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1vs7 n PRO 29 N -4.26 0.00 -3.59 -1.58 -0.04 -1.26 -4.73 135.00 119.55 1vs7 n PRO 29 Ca 0.07 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.46 1vs7 n PRO 29 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.96 1vs7 n PRO 29 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vs7 s LEU 30 N 0.00 -0.24 -0.25 1.53 1.43 -1.12 -4.58 118.68 115.46 1vs7 s LEU 30 Ca 0.00 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1vs7 s LEU 30 Cb 0.00 1.58 0.04 0.00 0.03 0.00 0.00 46.19 47.84 1vs7 s LEU 30 CO 0.00 -0.27 -0.10 -0.60 0.23 0.00 0.00 176.35 175.62 1vs7 s ARG 31 N -1.53 2.59 0.00 1.70 3.52 -1.26 0.14 118.95 124.10 1vs7 s ARG 31 Ca 0.04 -1.13 0.00 0.00 -0.13 0.00 0.00 55.73 54.51 1vs7 s ARG 31 Cb -0.01 -2.90 0.00 0.00 -1.56 0.00 0.00 34.95 30.48 1vs7 s ARG 31 CO -0.03 -0.46 0.00 2.41 -0.81 0.00 0.00 175.30 176.41 1vs7 n THR 32 N 4.56 0.00 0.00 4.11 -1.04 -1.10 -5.02 114.28 115.80 1vs7 n THR 32 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1vs7 n THR 32 Cb 0.45 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 1vs7 n THR 32 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1vs7 n TRP 33 N 0.00 -0.64 -1.56 -1.42 8.01 -1.26 -3.59 117.44 116.99 1vs7 n TRP 33 Ca 0.00 0.00 -0.18 0.00 -1.31 0.00 0.00 57.50 56.01 1vs7 n TRP 33 Cb 0.00 0.33 -0.06 0.00 -2.01 0.00 0.00 31.31 29.56 1vs7 n TRP 33 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 1vs7 n SER 34 N -2.15 1.88 -0.08 -0.99 3.41 -1.26 -4.65 113.62 109.77 1vs7 n SER 34 Ca 0.00 -1.29 0.13 0.00 -0.26 0.00 0.00 58.87 57.46 1vs7 n SER 34 Cb 0.00 -1.64 0.50 0.00 -0.26 0.00 0.00 64.21 62.81 1vs7 n SER 34 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1vs7 n ARG 35 N 8.82 0.43 0.00 4.33 1.85 -1.26 -3.56 116.66 127.27 1vs7 n ARG 35 Ca 0.45 -0.17 0.12 0.00 -1.00 0.00 0.00 57.85 57.25 1vs7 n ARG 35 Cb 0.45 -1.50 0.72 0.00 -1.05 0.00 0.00 32.46 31.08 1vs7 n ARG 35 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1vs7 n ARG 36 N -1.14 0.80 -3.00 2.89 3.00 -1.26 -2.07 116.66 115.88 1vs7 n ARG 36 Ca 0.11 0.00 -0.37 0.00 -0.01 0.00 0.00 57.85 57.57 1vs7 n ARG 36 Cb 0.31 -1.47 -0.06 0.00 0.00 0.00 0.00 32.46 31.24 1vs7 n ARG 36 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1vs7 s SER 37 N -1.95 7.22 0.94 0.55 1.04 -1.23 -4.89 113.70 115.38 1vs7 s SER 37 Ca 0.36 1.57 -0.15 0.00 0.48 0.00 0.00 55.95 58.21 1vs7 s SER 37 Cb 0.17 -2.47 0.19 0.00 0.10 0.00 0.00 66.02 64.00 1vs7 s SER 37 CO 0.28 0.08 1.30 -0.89 0.98 0.00 0.00 173.24 174.99 1vs7 s THR 38 N -1.41 2.01 -0.03 2.02 2.01 0.07 -2.59 115.64 117.72 1vs7 s THR 38 Ca 0.42 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.39 1vs7 s THR 38 Cb -0.19 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 1vs7 s THR 38 CO 0.23 0.00 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.52 1vs7 s ILE 39 N -3.84 4.08 0.12 1.82 -1.09 0.70 -4.86 121.20 118.13 1vs7 s ILE 39 Ca 0.73 -0.53 0.04 0.00 -2.23 0.00 0.00 60.65 58.66 1vs7 s ILE 39 Cb -0.04 -2.77 -0.04 0.00 -1.58 0.00 0.00 42.46 38.03 1vs7 s ILE 39 CO 0.52 0.45 -0.10 -0.36 -1.23 0.00 0.00 174.94 174.23 1vs7 s PHE 40 N -1.00 1.16 0.65 3.97 0.08 -1.26 -4.54 117.98 117.03 1vs7 s PHE 40 Ca 0.17 -0.70 0.25 0.00 0.12 0.00 0.00 56.93 56.77 1vs7 s PHE 40 Cb -0.11 -0.61 1.33 0.00 -0.57 0.00 0.00 43.02 43.05 1vs7 s PHE 40 CO 0.07 0.03 1.75 -1.35 -0.10 0.00 0.00 175.22 175.63 1vs7 h PRO 41 N 3.23 0.00 0.00 0.24 0.11 -1.97 0.59 132.00 134.19 1vs7 h PRO 41 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1vs7 h PRO 41 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1vs7 h PRO 41 CO 0.57 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.65 1vs7 n ASN 42 N -2.97 0.00 -0.00 -2.05 5.15 -1.26 -1.93 115.26 112.19 1vs7 n ASN 42 Ca 0.01 -0.24 0.04 0.00 -0.60 0.00 0.00 54.58 53.79 1vs7 n ASN 42 Cb 0.56 -0.14 -0.07 0.00 -0.53 0.00 0.00 39.78 39.61 1vs7 n ASN 42 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1vs7 n MET 43 N -1.14 0.65 -1.69 1.20 2.81 0.21 -4.88 117.12 114.28 1vs7 n MET 43 Ca 0.10 -0.07 -0.52 0.00 -1.81 0.00 0.00 57.70 55.40 1vs7 n MET 43 Cb 0.09 -1.18 -0.06 0.00 -0.71 0.00 0.00 33.22 31.36 1vs7 n MET 43 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1vs7 n ILE 44 N -1.75 0.40 -1.15 2.02 5.41 -0.81 -0.43 119.36 123.04 1vs7 n ILE 44 Ca -0.01 -0.07 -0.05 0.00 1.00 0.00 0.00 62.75 63.61 1vs7 n ILE 44 Cb 0.22 -1.55 -0.02 0.00 -0.71 0.00 0.00 39.64 37.58 1vs7 n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1vs7 n GLY 45 N 4.13 0.79 0.00 7.39 0.00 0.15 -5.01 105.19 112.64 1vs7 n GLY 45 Ca 0.23 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1vs7 n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vs7 n LEU 46 N -0.60 0.00 -3.67 0.99 7.99 0.43 -4.93 117.00 117.20 1vs7 n LEU 46 Ca -0.05 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 55.86 1vs7 n LEU 46 Cb 0.17 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.39 1vs7 n LEU 46 CO 0.08 0.00 0.12 -0.89 -1.51 0.00 0.00 177.39 175.19 1vs7 s THR 47 N 1.89 -0.25 -0.18 -5.08 2.01 -1.26 -3.35 115.64 109.42 1vs7 s THR 47 Ca 0.00 0.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.04 1vs7 s THR 47 Cb 0.00 -0.73 0.09 0.00 0.01 0.00 0.00 72.50 71.87 1vs7 s THR 47 CO 0.00 0.04 0.31 -0.63 -0.69 0.00 0.00 174.62 173.65 1vs7 s ILE 48 N 1.86 -0.49 -0.33 1.82 1.01 -1.11 -2.79 121.20 121.16 1vs7 s ILE 48 Ca -0.07 0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.40 1vs7 s ILE 48 Cb -0.09 -0.61 0.02 0.00 0.01 0.00 0.00 42.46 41.79 1vs7 s ILE 48 CO -0.15 -0.00 1.07 0.00 0.00 0.00 0.00 174.94 175.86 1vs7 s ALA 49 N 2.47 3.47 -0.17 9.38 0.00 0.36 -2.90 121.76 134.37 1vs7 s ALA 49 Ca 0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.81 1vs7 s ALA 49 Cb -0.13 -3.68 -0.05 0.00 0.00 0.00 0.00 23.12 19.26 1vs7 s ALA 49 CO -0.12 -1.55 0.12 0.08 0.00 0.00 0.00 175.76 174.30 1vs7 s VAL 50 N 3.71 5.35 0.40 0.00 1.01 -0.41 -2.70 120.40 127.75 1vs7 s VAL 50 Ca 0.45 0.16 -0.27 0.00 0.00 0.00 0.00 61.98 62.33 1vs7 s VAL 50 Cb -0.12 -3.41 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 1vs7 s VAL 50 CO 0.17 0.49 1.36 -2.28 0.00 0.00 0.00 175.10 174.84 1vs7 s HIS 51 N -0.05 2.74 0.00 5.22 5.65 -1.24 0.12 115.29 127.73 1vs7 s HIS 51 Ca 0.10 1.34 0.00 0.00 0.25 0.00 0.00 55.06 56.75 1vs7 s HIS 51 Cb -0.11 -3.78 0.00 0.00 -1.18 0.00 0.00 32.58 27.51 1vs7 s HIS 51 CO -0.00 -2.37 0.00 -1.71 -0.65 0.00 0.00 174.74 170.01 1vs7 n ASN 52 N 0.20 0.00 0.08 9.88 4.05 0.42 -4.83 115.26 125.06 1vs7 n ASN 52 Ca 0.03 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.06 1vs7 n ASN 52 Cb 0.42 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.43 1vs7 n ASN 52 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1vs7 n GLY 53 N 4.32 -0.15 0.06 8.20 0.00 -1.26 -4.89 105.19 111.46 1vs7 n GLY 53 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1vs7 n GLY 53 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1vs7 h ARG 54 N 0.00 0.00 0.00 1.61 3.08 -1.98 -3.49 114.38 113.60 1vs7 h ARG 54 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vs7 h ARG 54 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1vs7 h ARG 54 CO 0.00 0.44 0.00 1.04 -1.07 0.00 0.00 179.97 180.38 1vs7 n GLN 55 N -4.70 0.16 -3.82 0.04 1.13 -1.26 -5.14 117.38 103.79 1vs7 n GLN 55 Ca -0.05 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.65 1vs7 n GLN 55 Cb 0.22 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.46 1vs7 n GLN 55 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1vs7 s HIS 56 N -0.84 3.14 -0.08 1.08 3.76 -1.26 -0.44 115.29 120.65 1vs7 s HIS 56 Ca 0.00 -0.22 -0.24 0.00 -0.15 0.00 0.00 55.06 54.44 1vs7 s HIS 56 Cb 0.00 -2.21 -0.03 0.00 1.11 0.00 0.00 32.58 31.45 1vs7 s HIS 56 CO 0.00 -0.20 0.74 0.14 -0.85 0.00 0.00 174.74 174.58 1vs7 s VAL 57 N 1.30 5.01 0.15 -0.90 -7.23 0.12 -4.65 120.40 114.20 1vs7 s VAL 57 Ca 0.05 1.52 -0.31 0.00 -1.81 0.00 0.00 61.98 61.43 1vs7 s VAL 57 Cb -0.15 -4.08 -0.09 0.00 0.56 0.00 0.00 36.38 32.63 1vs7 s VAL 57 CO 0.04 0.21 1.39 -2.16 -0.31 0.00 0.00 175.10 174.27 1vs7 s PRO 58 N 1.05 4.32 0.19 4.82 0.04 -1.26 -1.29 135.00 142.87 1vs7 s PRO 58 Ca 0.39 2.12 0.09 0.00 0.04 0.00 0.00 61.00 63.64 1vs7 s PRO 58 Cb -0.18 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 1vs7 s PRO 58 CO 0.18 -0.41 -0.18 0.14 0.04 0.00 0.00 177.00 176.77 1vs7 s VAL 59 N 0.77 1.96 -0.63 -0.36 -7.23 -1.14 -4.94 120.40 108.82 1vs7 s VAL 59 Ca 0.63 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.76 1vs7 s VAL 59 Cb -0.38 -1.98 0.16 0.00 0.56 0.00 0.00 36.38 34.74 1vs7 s VAL 59 CO 0.33 -0.36 0.41 -0.36 -0.31 0.00 0.00 175.10 174.82 1vs7 s PHE 60 N -2.24 3.39 -0.62 2.82 0.40 -1.26 -2.77 117.98 117.71 1vs7 s PHE 60 Ca 0.20 -3.09 -0.31 0.00 -0.60 0.00 0.00 56.93 53.13 1vs7 s PHE 60 Cb -0.05 -2.93 -0.14 0.00 0.51 0.00 0.00 43.02 40.41 1vs7 s PHE 60 CO 0.08 -0.72 2.44 0.28 0.70 0.00 0.00 175.22 178.00 1vs7 n VAL 61 N 2.87 0.03 0.00 -0.44 0.31 -1.21 -4.89 118.33 114.99 1vs7 n VAL 61 Ca 0.11 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1vs7 n VAL 61 Cb 0.35 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1vs7 n VAL 61 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1vs7 n THR 62 N 7.55 0.00 0.00 2.52 5.66 -1.26 0.31 114.28 129.06 1vs7 n THR 62 Ca 0.49 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.49 1vs7 n THR 62 Cb 0.26 -0.46 0.00 0.00 -1.55 0.00 0.00 70.33 68.58 1vs7 n THR 62 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1vs7 n ASP 63 N 0.00 0.00 -0.58 1.09 -0.08 -1.26 -2.05 116.55 113.67 1vs7 n ASP 63 Ca 0.00 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.39 1vs7 n ASP 63 Cb 0.00 0.00 0.38 0.00 2.34 0.00 0.00 41.12 43.84 1vs7 n ASP 63 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1vs7 n GLU 64 N -0.10 1.77 -0.63 -0.67 4.71 -1.26 -3.86 120.64 120.60 1vs7 n GLU 64 Ca 0.00 -1.15 0.02 0.00 -0.01 0.00 0.00 57.16 56.02 1vs7 n GLU 64 Cb 0.00 -1.41 0.23 0.00 -1.01 0.00 0.00 31.44 29.26 1vs7 n GLU 64 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1vs7 n MET 65 N 0.38 2.50 -0.08 3.49 0.00 -1.26 -4.67 117.12 117.47 1vs7 n MET 65 Ca 0.16 -2.98 -0.12 0.00 0.00 0.00 0.00 57.70 54.76 1vs7 n MET 65 Cb 0.35 -1.86 -0.05 0.00 0.00 0.00 0.00 33.22 31.65 1vs7 n MET 65 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 175.97 175.58 1vs7 h VAL 66 N 1.47 1.31 0.00 3.17 -1.51 -1.85 -3.09 116.25 115.75 1vs7 h VAL 66 Ca 0.12 -1.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 1vs7 h VAL 66 Cb 1.61 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 32.42 1vs7 h VAL 66 CO 0.34 0.37 0.00 0.61 -1.23 0.00 0.00 177.57 177.66 1vs7 n GLY 67 N 0.03 0.97 3.48 5.19 0.00 -1.26 -2.83 105.19 110.77 1vs7 n GLY 67 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1vs7 n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vs7 s HIS 68 N -0.40 2.09 0.00 1.61 4.02 -1.17 -4.96 115.29 116.47 1vs7 s HIS 68 Ca 0.00 -0.82 0.00 0.00 1.02 0.00 0.00 55.06 55.26 1vs7 s HIS 68 Cb 0.00 -1.34 0.00 0.00 -1.02 0.00 0.00 32.58 30.22 1vs7 s HIS 68 CO 0.00 0.18 0.00 1.63 1.02 0.00 0.00 174.74 177.57 1vs7 n LYS 69 N -0.72 0.00 0.00 1.40 4.76 -1.26 -0.21 118.16 122.13 1vs7 n LYS 69 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1vs7 n LYS 69 Cb 0.66 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.85 1vs7 n LYS 69 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1vs7 n LEU 70 N 0.00 0.00 -0.03 -0.35 7.94 -0.88 -4.05 117.00 119.64 1vs7 n LEU 70 Ca 0.00 -0.11 0.07 0.00 -1.11 0.00 0.00 56.01 54.86 1vs7 n LEU 70 Cb 0.00 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 43.79 1vs7 n LEU 70 CO 0.00 0.19 -0.81 0.61 -1.11 0.00 0.00 177.39 176.26 1vs7 n GLY 71 N 0.00 -0.94 0.32 -3.96 0.00 -1.18 -4.33 105.19 95.11 1vs7 n GLY 71 Ca 0.00 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.64 1vs7 n GLY 71 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1vs7 h GLU 72 N 0.00 0.43 -2.42 1.61 3.07 -1.89 -2.95 114.58 112.43 1vs7 h GLU 72 Ca -0.10 -0.03 -0.79 0.00 -0.50 0.00 0.00 59.36 57.94 1vs7 h GLU 72 Cb 1.17 -0.10 -0.28 0.00 -0.84 0.00 0.00 28.75 28.70 1vs7 h GLU 72 CO 0.01 0.29 0.85 1.19 -1.40 0.00 0.00 179.01 179.94 1vs7 n PHE 73 N -4.48 2.71 0.00 4.33 3.01 -1.26 -4.66 117.46 117.12 1vs7 n PHE 73 Ca 0.05 -2.67 0.00 0.00 1.01 0.00 0.00 57.45 55.84 1vs7 n PHE 73 Cb 0.19 -1.16 0.00 0.00 -0.01 0.00 0.00 39.48 38.50 1vs7 n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1vs7 n ALA 74 N 0.31 0.00 -1.75 4.37 0.00 -1.11 -4.98 120.51 117.35 1vs7 n ALA 74 Ca 0.40 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.45 1vs7 n ALA 74 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 1vs7 n ALA 74 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1vs7 s PRO 75 N 0.00 2.63 0.00 0.00 0.04 -1.26 -4.90 135.00 131.50 1vs7 s PRO 75 Ca 0.00 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1vs7 s PRO 75 Cb 0.00 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 30.11 1vs7 s PRO 75 CO 0.00 -2.69 0.80 2.41 0.04 0.00 0.00 177.00 177.57 1vs7 n THR 76 N 7.68 0.00 -1.54 1.26 -1.04 -1.26 -4.43 114.28 114.94 1vs7 n THR 76 Ca 0.29 1.30 -0.33 0.00 -2.04 0.00 0.00 64.05 63.28 1vs7 n THR 76 Cb 0.51 -2.25 -0.05 0.00 -1.82 0.00 0.00 70.33 66.71 1vs7 n THR 76 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1vs7 n ARG 77 N -1.50 0.84 -2.43 -2.82 1.85 -1.26 -4.75 116.66 106.59 1vs7 n ARG 77 Ca 0.00 -0.12 -0.42 0.00 -1.00 0.00 0.00 57.85 56.31 1vs7 n ARG 77 Cb 0.00 -3.22 -0.03 0.00 -1.05 0.00 0.00 32.46 28.16 1vs7 n ARG 77 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1vs7 s THR 78 N 12.02 4.11 -0.06 8.89 2.01 -1.26 -5.03 115.64 136.32 1vs7 s THR 78 Ca 1.02 1.49 0.03 0.00 0.31 0.00 0.00 61.69 64.54 1vs7 s THR 78 Cb -0.30 -3.96 0.01 0.00 0.01 0.00 0.00 72.50 68.26 1vs7 s THR 78 CO 0.27 0.07 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.66 1vs7 s TYR 79 N 1.56 1.55 0.00 4.92 5.04 -1.26 -5.27 117.35 123.88 1vs7 s TYR 79 Ca 0.58 -0.55 0.00 0.00 -2.44 0.00 0.00 57.07 54.66 1vs7 s TYR 79 Cb -0.28 -1.11 0.00 0.00 0.35 0.00 0.00 41.96 40.93 1vs7 s TYR 79 CO 0.26 -0.26 0.00 0.54 -1.34 0.00 0.00 175.55 174.76