#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v8p n ALA 2 N 0.00 2.99 -2.09 -5.12 0.00 -1.26 -4.89 120.51 110.14 1v8p n ALA 2 Ca 0.00 -0.25 -0.41 0.00 0.00 0.00 0.00 53.44 52.77 1v8p n ALA 2 Cb 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 1v8p n ALA 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1v8p s VAL 3 N -3.13 3.41 0.00 0.00 1.01 -1.22 -4.28 120.40 116.18 1v8p s VAL 3 Ca 0.07 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1v8p s VAL 3 Cb 0.14 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1v8p s VAL 3 CO 0.71 0.15 0.00 -0.62 0.00 0.00 0.00 175.10 175.34 1v8p n GLU 4 N 2.94 3.20 -5.06 2.72 1.02 0.61 -4.96 120.64 121.11 1v8p n GLU 4 Ca 0.07 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.93 1v8p n GLU 4 Cb 0.44 -0.99 -0.16 0.00 -0.02 0.00 0.00 31.44 30.70 1v8p n GLU 4 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1v8p s TYR 5 N -1.98 1.99 -0.30 -0.32 1.51 0.92 -1.37 117.35 117.80 1v8p s TYR 5 Ca 0.00 -0.46 -0.08 0.00 -1.01 0.00 0.00 57.07 55.52 1v8p s TYR 5 Cb 0.00 -1.30 -0.00 0.00 -0.11 0.00 0.00 41.96 40.55 1v8p s TYR 5 CO 0.00 -0.09 0.11 -1.17 -1.11 0.00 0.00 175.55 173.28 1v8p s LEU 6 N -0.33 3.91 -0.18 -1.29 2.96 -0.74 0.03 118.68 123.03 1v8p s LEU 6 Ca 0.04 -0.58 -0.09 0.00 -0.22 0.00 0.00 54.13 53.27 1v8p s LEU 6 Cb -0.10 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 1v8p s LEU 6 CO 0.01 -0.18 0.12 -0.69 -1.32 0.00 0.00 176.35 174.29 1v8p s VAL 7 N 1.56 5.34 0.47 1.68 1.01 0.69 -0.38 120.40 130.77 1v8p s VAL 7 Ca 0.04 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.24 1v8p s VAL 7 Cb -0.17 -3.42 0.08 0.00 0.00 0.00 0.00 36.38 32.88 1v8p s VAL 7 CO 0.04 0.47 0.65 -0.90 0.00 0.00 0.00 175.10 175.36 1v8p n ASP 8 N 3.28 1.48 -0.21 3.32 5.68 -0.94 -4.52 116.55 124.63 1v8p n ASP 8 Ca -0.17 -2.11 -0.01 0.00 -0.50 0.00 0.00 54.79 52.00 1v8p n ASP 8 Cb 0.52 -0.37 0.10 0.00 -1.14 0.00 0.00 41.12 40.23 1v8p n ASP 8 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1v8p h ALA 9 N 0.02 0.84 -0.34 2.12 0.00 -1.90 0.55 119.26 120.55 1v8p h ALA 9 Ca -0.22 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1v8p h ALA 9 Cb 0.95 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1v8p h ALA 9 CO 0.29 -0.04 -0.41 0.66 0.00 0.00 0.00 179.25 179.75 1v8p h SER 10 N 0.59 0.89 0.44 0.00 4.64 -1.95 -1.37 113.55 116.79 1v8p h SER 10 Ca 0.29 -0.42 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 1v8p h SER 10 Cb 0.24 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1v8p h SER 10 CO -0.21 1.19 -0.21 0.00 -0.87 0.00 0.00 176.83 176.72 1v8p h ALA 11 N 0.85 -0.59 -0.73 5.18 0.00 -1.62 -2.98 119.26 119.37 1v8p h ALA 11 Ca 0.05 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.93 1v8p h ALA 11 Cb 0.98 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 1v8p h ALA 11 CO 0.09 -0.69 0.21 1.25 0.00 0.00 0.00 179.25 180.11 1v8p h LEU 12 N -0.88 0.08 -1.34 0.00 7.12 0.04 0.00 115.31 120.33 1v8p h LEU 12 Ca -0.06 0.13 0.01 0.00 0.13 0.00 0.00 57.88 58.09 1v8p h LEU 12 Cb 0.57 0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.83 1v8p h LEU 12 CO 0.10 -0.00 0.43 0.22 -0.13 0.00 0.00 178.44 179.06 1v8p h TYR 13 N 0.31 0.84 0.16 1.25 3.20 -1.24 -2.12 116.97 119.36 1v8p h TYR 13 Ca 0.41 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 62.07 1v8p h TYR 13 Cb 0.68 -0.28 0.03 0.00 1.54 0.00 0.00 36.73 38.69 1v8p h TYR 13 CO -0.23 0.53 -0.98 0.00 -1.64 0.00 0.00 178.16 175.84 1v8p h ALA 14 N 1.58 -0.09 -0.75 1.82 0.00 -1.13 -3.29 119.26 117.40 1v8p h ALA 14 Ca 0.24 -0.73 0.22 0.00 0.00 0.00 0.00 54.91 54.64 1v8p h ALA 14 Cb -0.09 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1v8p h ALA 14 CO -0.05 0.47 0.54 -0.07 0.00 0.00 0.00 179.25 180.13 1v8p h LEU 15 N -0.19 0.00 0.00 0.00 3.38 -0.70 -1.10 115.31 116.71 1v8p h LEU 15 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1v8p h LEU 15 Cb 1.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.50 1v8p h LEU 15 CO 0.18 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.71 1v8p n ALA 16 N -2.68 1.16 -0.22 1.53 0.00 -0.83 -0.97 120.51 118.50 1v8p n ALA 16 Ca 0.15 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.65 1v8p n ALA 16 Cb 0.82 -1.03 0.19 0.00 0.00 0.00 0.00 19.45 19.43 1v8p n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v8p n ALA 17 N -1.41 2.22 -2.66 0.00 0.00 -0.42 -4.33 120.51 113.91 1v8p n ALA 17 Ca 0.01 -1.18 -0.07 0.00 0.00 0.00 0.00 53.44 52.20 1v8p n ALA 17 Cb 0.02 -0.53 0.04 0.00 0.00 0.00 0.00 19.45 18.97 1v8p n ALA 17 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1v8p n HIS 18 N 0.74 1.57 -0.12 0.00 -0.00 -0.14 -4.96 115.22 112.30 1v8p n HIS 18 Ca 0.14 -2.36 -0.09 0.00 -0.00 0.00 0.00 57.72 55.41 1v8p n HIS 18 Cb 0.47 -0.27 -0.03 0.00 -0.00 0.00 0.00 29.99 30.15 1v8p n HIS 18 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.34 175.42 1v8p h TYR 19 N 2.64 -1.12 -0.23 4.41 3.20 -1.75 -2.18 116.97 121.94 1v8p h TYR 19 Ca -0.03 0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.95 1v8p h TYR 19 Cb 1.27 0.55 -0.01 0.00 1.54 0.00 0.00 36.73 40.08 1v8p h TYR 19 CO 0.57 -0.42 0.16 -0.44 -1.64 0.00 0.00 178.16 176.39 1v8p h ASP 20 N -0.30 0.08 0.81 -2.11 3.32 -1.93 -1.09 116.42 115.21 1v8p h ASP 20 Ca 0.15 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1v8p h ASP 20 Cb 0.57 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1v8p h ASP 20 CO -0.56 0.05 -0.21 0.11 -1.72 0.00 0.00 179.24 176.91 1v8p h LYS 21 N 0.09 0.00 0.00 3.56 1.57 -1.80 -3.36 116.57 116.64 1v8p h LYS 21 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1v8p h LYS 21 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1v8p h LYS 21 CO -0.01 0.21 -0.76 -2.67 -0.57 0.00 0.00 179.45 175.65 1v8p n TRP 22 N -3.44 0.00 -0.09 -1.35 4.27 -1.07 -4.79 117.44 110.98 1v8p n TRP 22 Ca -0.00 0.00 0.26 0.00 -3.89 0.00 0.00 57.50 53.87 1v8p n TRP 22 Cb 0.40 0.00 0.68 0.00 -1.36 0.00 0.00 31.31 31.03 1v8p n TRP 22 CO 0.00 0.00 0.00 0.97 -2.29 0.00 0.00 177.69 176.37 1v8p h ILE 23 N 0.00 0.31 0.00 -1.67 6.09 -1.35 0.69 117.51 121.58 1v8p h ILE 23 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1v8p h ILE 23 Cb 0.00 0.45 0.00 0.00 0.47 0.00 0.00 36.82 37.74 1v8p h ILE 23 CO 0.00 0.00 -0.09 0.50 -3.07 0.00 0.00 178.15 175.49 1v8p h LYS 24 N 0.00 0.00 -0.28 2.19 3.64 -1.85 -3.21 116.57 117.06 1v8p h LYS 24 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1v8p h LYS 24 Cb 1.79 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 1v8p h LYS 24 CO -0.00 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.90 1v8p n HIS 25 N -3.00 0.35 -0.32 1.91 -0.00 0.24 -4.72 115.22 109.67 1v8p n HIS 25 Ca 0.04 -0.21 0.25 0.00 -0.00 0.00 0.00 57.72 57.79 1v8p n HIS 25 Cb 0.52 -0.00 0.47 0.00 -0.00 0.00 0.00 29.99 30.98 1v8p n HIS 25 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 1v8p n ARG 26 N 1.19 -0.07 0.00 -0.41 1.85 -0.86 -0.42 116.66 117.94 1v8p n ARG 26 Ca 0.15 1.40 0.02 0.00 -1.00 0.00 0.00 57.85 58.43 1v8p n ARG 26 Cb 0.52 -2.40 0.12 0.00 -1.05 0.00 0.00 32.46 29.65 1v8p n ARG 26 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1v8p n GLU 27 N -5.32 0.12 0.00 2.89 0.00 -1.26 0.35 120.64 117.42 1v8p n GLU 27 Ca 0.32 0.02 0.05 0.00 0.00 0.00 0.00 57.16 57.55 1v8p n GLU 27 Cb 1.07 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 31.01 1v8p n GLU 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1v8p n LYS 28 N -1.02 1.85 -3.89 3.44 5.02 0.44 -3.45 118.16 120.55 1v8p n LYS 28 Ca 0.03 -0.69 -0.36 0.00 -2.02 0.00 0.00 58.31 55.28 1v8p n LYS 28 Cb 0.02 -1.11 -0.12 0.00 -0.02 0.00 0.00 35.03 33.79 1v8p n LYS 28 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1v8p s LEU 29 N -1.54 3.40 0.22 -0.35 1.02 0.16 -0.06 118.68 121.53 1v8p s LEU 29 Ca 0.09 -0.18 0.06 0.00 0.02 0.00 0.00 54.13 54.12 1v8p s LEU 29 Cb 0.08 -1.89 -0.05 0.00 0.02 0.00 0.00 46.19 44.36 1v8p s LEU 29 CO 0.24 0.02 -0.08 0.00 0.02 0.00 0.00 176.35 176.55 1v8p s ALA 30 N 1.28 1.93 0.25 4.21 0.00 0.10 -2.31 121.76 127.23 1v8p s ALA 30 Ca 0.04 -1.71 0.01 0.00 0.00 0.00 0.00 51.96 50.31 1v8p s ALA 30 Cb -0.15 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1v8p s ALA 30 CO 0.02 -0.08 0.14 0.96 0.00 0.00 0.00 175.76 176.81 1v8p s ILE 31 N -3.16 0.21 0.38 0.00 -4.36 -0.29 -0.22 121.20 113.76 1v8p s ILE 31 Ca 0.24 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.71 1v8p s ILE 31 Cb 0.03 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.20 1v8p s ILE 31 CO 0.07 0.00 0.53 -0.76 0.24 0.00 0.00 174.94 175.02 1v8p s LEU 32 N -3.27 3.80 0.39 0.37 1.43 -1.26 -1.11 118.68 119.02 1v8p s LEU 32 Ca 0.38 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 53.26 1v8p s LEU 32 Cb 0.06 -2.71 0.78 0.00 0.03 0.00 0.00 46.19 44.35 1v8p s LEU 32 CO 0.15 -0.62 1.95 0.45 0.23 0.00 0.00 176.35 178.51 1v8p h HIS 33 N 0.74 0.36 -0.77 0.29 3.86 -1.93 -2.11 115.15 115.60 1v8p h HIS 33 Ca -0.43 -0.03 0.07 0.00 -1.16 0.00 0.00 60.37 58.83 1v8p h HIS 33 Cb 1.27 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 29.58 1v8p h HIS 33 CO 0.41 0.38 0.50 1.25 0.86 0.00 0.00 177.93 181.33 1v8p h LEU 34 N 0.35 0.69 -1.07 2.43 6.46 -1.96 -2.72 115.31 119.48 1v8p h LEU 34 Ca 0.08 0.01 0.21 0.00 -0.12 0.00 0.00 57.88 58.06 1v8p h LEU 34 Cb 0.26 -0.14 -0.11 0.00 -0.73 0.00 0.00 40.66 39.94 1v8p h LEU 34 CO 0.01 0.44 0.61 0.74 -0.62 0.00 0.00 178.44 179.62 1v8p h THR 35 N 0.79 0.65 0.40 1.05 2.02 -1.76 -1.15 112.91 114.91 1v8p h THR 35 Ca 0.34 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 1v8p h THR 35 Cb 0.30 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1v8p h THR 35 CO -0.12 0.12 -0.25 0.40 0.37 0.00 0.00 175.52 176.04 1v8p h ILE 36 N 0.67 0.48 -0.14 3.11 2.04 -1.64 -1.44 117.51 120.59 1v8p h ILE 36 Ca 0.59 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.45 1v8p h ILE 36 Cb 1.05 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1v8p h ILE 36 CO -0.38 0.00 0.07 1.88 0.00 0.00 0.00 178.15 179.72 1v8p h TYR 37 N -0.63 0.19 -0.58 1.37 -1.99 -1.48 -1.25 116.97 112.60 1v8p h TYR 37 Ca -0.04 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.76 1v8p h TYR 37 Cb 0.52 -0.06 -0.06 0.00 2.00 0.00 0.00 36.73 39.12 1v8p h TYR 37 CO -0.09 0.21 0.25 0.93 -0.00 0.00 0.00 178.16 179.45 1v8p h GLU 38 N 0.12 0.45 -0.51 4.88 5.08 -1.21 0.50 114.58 123.89 1v8p h GLU 38 Ca 0.05 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1v8p h GLU 38 Cb 0.08 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1v8p h GLU 38 CO -0.01 0.30 0.06 0.00 -1.00 0.00 0.00 179.01 178.36 1v8p h ALA 39 N 1.37 0.68 -0.35 3.43 0.00 -1.09 -2.12 119.26 121.17 1v8p h ALA 39 Ca 0.28 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1v8p h ALA 39 Cb 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1v8p h ALA 39 CO -0.25 0.44 0.07 0.78 0.00 0.00 0.00 179.25 180.29 1v8p h GLY 40 N 0.73 0.56 1.41 0.00 0.00 -0.67 -2.39 103.07 102.72 1v8p h GLY 40 Ca 0.15 -0.30 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 1v8p h GLY 40 CO 0.01 0.28 -0.41 -0.57 0.00 0.00 0.00 176.54 175.86 1v8p h ASN 41 N 0.51 0.69 -0.63 0.19 -0.73 -0.55 -1.17 115.58 113.89 1v8p h ASN 41 Ca 0.12 -0.31 -0.07 0.00 1.87 0.00 0.00 56.30 57.90 1v8p h ASN 41 Cb 0.23 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 38.60 1v8p h ASN 41 CO -0.00 1.01 0.11 0.00 -0.37 0.00 0.00 177.43 178.19 1v8p h ALA 42 N 1.02 0.97 -0.24 1.57 0.00 -0.93 -0.62 119.26 121.03 1v8p h ALA 42 Ca 0.04 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1v8p h ALA 42 Cb 0.93 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1v8p h ALA 42 CO 0.08 0.65 -0.16 1.25 0.00 0.00 0.00 179.25 181.08 1v8p h LEU 43 N 1.00 0.55 -0.44 0.00 6.46 -1.35 -2.71 115.31 118.82 1v8p h LEU 43 Ca 0.20 -0.43 0.08 0.00 -0.12 0.00 0.00 57.88 57.61 1v8p h LEU 43 Cb 0.41 -0.15 -0.07 0.00 -0.73 0.00 0.00 40.66 40.12 1v8p h LEU 43 CO 0.01 0.87 0.01 -0.25 -0.62 0.00 0.00 178.44 178.45 1v8p h TRP 44 N 0.24 -0.01 -0.74 1.25 7.01 -0.88 0.28 115.95 123.09 1v8p h TRP 44 Ca 0.05 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.13 1v8p h TRP 44 Cb 0.68 0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.77 1v8p h TRP 44 CO 0.07 -0.09 0.49 0.87 -2.79 0.00 0.00 178.44 176.99 1v8p h LYS 45 N 0.12 0.81 -0.36 2.65 1.57 -1.05 0.10 116.57 120.41 1v8p h LYS 45 Ca 0.22 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1v8p h LYS 45 Cb 0.32 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1v8p h LYS 45 CO -0.36 0.54 -0.18 0.93 -0.57 0.00 0.00 179.45 179.80 1v8p h GLU 46 N 0.84 0.68 -0.13 3.15 5.08 -0.68 -1.52 114.58 122.00 1v8p h GLU 46 Ca 0.31 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1v8p h GLU 46 Cb 0.16 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1v8p h GLU 46 CO -0.10 0.82 -0.28 0.00 -1.00 0.00 0.00 179.01 178.45 1v8p h ALA 47 N 1.19 0.20 -0.33 3.43 0.00 -0.27 -1.41 119.26 122.08 1v8p h ALA 47 Ca 0.09 -0.41 0.10 0.00 0.00 0.00 0.00 54.91 54.69 1v8p h ALA 47 Cb 0.65 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1v8p h ALA 47 CO 0.05 0.21 0.31 0.00 0.00 0.00 0.00 179.25 179.82 1v8p h ARG 48 N -0.00 0.00 -0.64 0.00 2.47 -0.65 0.45 114.38 116.01 1v8p h ARG 48 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1v8p h ARG 48 Cb 0.88 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 1v8p h ARG 48 CO 0.06 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.87 1v8p n LEU 49 N -3.94 4.37 0.00 3.04 4.77 -0.59 -4.91 117.00 119.74 1v8p n LEU 49 Ca 0.05 -2.21 0.00 0.00 -0.03 0.00 0.00 56.01 53.82 1v8p n LEU 49 Cb 0.47 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1v8p n LEU 49 CO 0.30 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1v8p n GLY 50 N 0.80 1.21 3.55 -0.72 0.00 0.15 -5.04 105.19 105.14 1v8p n GLY 50 Ca 0.22 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1v8p n GLY 50 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1v8p s ARG 51 N -1.09 3.43 0.07 1.61 3.52 -0.58 -4.92 118.95 121.00 1v8p s ARG 51 Ca 0.00 -0.04 -0.29 0.00 -0.13 0.00 0.00 55.73 55.27 1v8p s ARG 51 Cb 0.00 -4.01 -0.18 0.00 -1.56 0.00 0.00 34.95 29.20 1v8p s ARG 51 CO 0.00 -1.46 1.63 0.28 -0.81 0.00 0.00 175.30 174.94 1v8p h VAL 52 N 6.07 0.56 0.00 7.11 2.07 -1.91 -3.19 116.25 126.97 1v8p h VAL 52 Ca -0.25 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1v8p h VAL 52 Cb 1.07 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1v8p h VAL 52 CO 1.09 0.01 0.00 -0.90 0.02 0.00 0.00 177.57 177.79 1v8p n ASP 53 N -5.34 2.86 0.16 0.57 3.85 -1.26 -4.23 116.55 113.16 1v8p n ASP 53 Ca -0.11 -1.67 0.03 0.00 -0.71 0.00 0.00 54.79 52.33 1v8p n ASP 53 Cb 0.26 -0.56 0.18 0.00 -1.35 0.00 0.00 41.12 39.66 1v8p n ASP 53 CO 0.00 0.00 0.00 4.11 -1.01 0.00 0.00 177.20 180.30 1v8p h TRP 54 N 1.21 0.00 0.39 2.11 5.08 -1.98 -1.89 115.95 120.88 1v8p h TRP 54 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 1v8p h TRP 54 Cb 0.70 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.86 1v8p h TRP 54 CO 0.15 0.47 -0.19 0.00 -1.28 0.00 0.00 178.44 177.59 1v8p h ALA 55 N 1.53 -0.52 -0.64 0.11 0.00 -1.89 -1.91 119.26 115.93 1v8p h ALA 55 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1v8p h ALA 55 Cb 1.15 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1v8p h ALA 55 CO 0.06 -0.64 0.25 0.00 0.00 0.00 0.00 179.25 178.92 1v8p h ALA 56 N -0.39 0.84 -0.36 0.00 0.00 -1.91 -2.84 119.26 114.61 1v8p h ALA 56 Ca -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1v8p h ALA 56 Cb 0.54 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1v8p h ALA 56 CO 0.09 0.47 0.14 0.00 0.00 0.00 0.00 179.25 179.95 1v8p h ALA 57 N 1.10 1.58 0.00 0.00 0.00 -1.36 -1.43 119.26 119.15 1v8p h ALA 57 Ca 0.21 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1v8p h ALA 57 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1v8p h ALA 57 CO -0.02 0.33 -0.24 0.66 0.00 0.00 0.00 179.25 179.99 1v8p h SER 58 N 0.51 0.00 0.08 0.00 4.64 -1.09 -1.76 113.55 115.94 1v8p h SER 58 Ca 0.13 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.23 1v8p h SER 58 Cb 0.11 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1v8p h SER 58 CO -0.01 0.24 -0.82 0.03 -0.87 0.00 0.00 176.83 175.40 1v8p h ARG 59 N 0.00 0.59 -0.56 4.77 3.08 -1.26 -2.08 114.38 118.93 1v8p h ARG 59 Ca -0.00 -0.52 -0.08 0.00 0.07 0.00 0.00 59.98 59.44 1v8p h ARG 59 Cb 0.48 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1v8p h ARG 59 CO 0.03 1.14 0.01 1.25 -1.07 0.00 0.00 179.97 181.33 1v8p h HIS 60 N 0.39 1.02 -0.50 3.04 2.76 -1.12 -2.36 115.15 118.38 1v8p h HIS 60 Ca -0.06 -0.16 -0.11 0.00 -2.20 0.00 0.00 60.37 57.85 1v8p h HIS 60 Cb 1.43 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 30.10 1v8p h HIS 60 CO 0.07 0.91 -0.11 1.25 -1.30 0.00 0.00 177.93 178.74 1v8p h LEU 61 N 0.87 0.93 -0.06 0.26 6.46 -1.28 -0.65 115.31 121.84 1v8p h LEU 61 Ca 0.16 -0.30 -0.00 0.00 -0.12 0.00 0.00 57.88 57.62 1v8p h LEU 61 Cb 0.50 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1v8p h LEU 61 CO 0.02 1.05 0.04 0.50 -0.62 0.00 0.00 178.44 179.43 1v8p h LYS 62 N 0.83 0.09 0.05 1.25 3.64 -1.15 0.45 116.57 121.72 1v8p h LYS 62 Ca 0.13 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1v8p h LYS 62 Cb 0.65 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1v8p h LYS 62 CO 0.05 0.09 -0.12 -0.22 -2.27 0.00 0.00 179.45 176.98 1v8p h LYS 63 N 0.05 -0.22 -0.19 1.90 3.64 -1.24 0.28 116.57 120.79 1v8p h LYS 63 Ca 0.02 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1v8p h LYS 63 Cb 0.03 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 1v8p h LYS 63 CO -0.00 -0.15 -0.31 0.28 -2.27 0.00 0.00 179.45 176.99 1v8p h VAL 64 N -0.23 0.29 0.00 2.00 2.07 -0.84 -0.48 116.25 119.05 1v8p h VAL 64 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1v8p h VAL 64 Cb 0.26 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1v8p h VAL 64 CO -0.09 0.00 -0.00 -0.07 0.02 0.00 0.00 177.57 177.43 1v8p h LEU 65 N -0.36 0.00 -1.52 2.57 3.38 -0.58 -2.01 115.31 116.79 1v8p h LEU 65 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1v8p h LEU 65 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1v8p h LEU 65 CO -0.39 0.00 -0.11 0.77 0.09 0.00 0.00 178.44 178.81 1v8p h SER 66 N 0.00 0.00 1.22 -0.43 4.64 0.76 -2.85 113.55 116.89 1v8p h SER 66 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1v8p h SER 66 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1v8p h SER 66 CO 0.00 0.11 0.00 0.28 -0.87 0.00 0.00 176.83 176.35 1v8p h SER 67 N 0.00 0.00 -3.44 4.97 0.02 -1.09 -3.45 113.55 110.56 1v8p h SER 67 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1v8p h SER 67 Cb 0.53 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1v8p h SER 67 CO 0.01 0.00 -0.09 -0.36 -1.14 0.00 0.00 176.83 175.25 1v8p s PHE 68 N -3.44 3.43 0.26 3.45 0.40 -1.08 -4.78 117.98 116.22 1v8p s PHE 68 Ca 0.04 0.87 -0.15 0.00 -0.60 0.00 0.00 56.93 57.09 1v8p s PHE 68 Cb 0.08 -2.27 -0.08 0.00 0.51 0.00 0.00 43.02 41.27 1v8p s PHE 68 CO 0.55 0.22 0.67 0.15 0.70 0.00 0.00 175.22 177.50 1v8p s LYS 69 N -3.02 4.00 -0.24 0.44 1.02 -0.98 -4.90 119.74 116.06 1v8p s LYS 69 Ca 0.48 0.60 -0.06 0.00 0.02 0.00 0.00 55.97 57.01 1v8p s LYS 69 Cb -0.11 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 1v8p s LYS 69 CO 0.23 0.27 0.02 0.08 -0.92 0.00 0.00 175.35 175.03 1v8p s VAL 70 N -1.80 3.86 0.71 3.17 1.01 -1.26 -1.14 120.40 124.94 1v8p s VAL 70 Ca 0.49 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 62.00 1v8p s VAL 70 Cb -0.12 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1v8p s VAL 70 CO 0.19 0.36 1.06 -0.76 0.00 0.00 0.00 175.10 175.95 1v8p s LEU 71 N 1.54 3.09 0.64 3.92 1.43 -0.27 -4.97 118.68 124.07 1v8p s LEU 71 Ca 0.06 1.60 -0.15 0.00 -1.03 0.00 0.00 54.13 54.60 1v8p s LEU 71 Cb -0.15 -4.45 -0.01 0.00 0.03 0.00 0.00 46.19 41.61 1v8p s LEU 71 CO 0.00 -1.50 1.11 -1.61 0.23 0.00 0.00 176.35 174.58 1v8p s GLU 72 N -5.05 2.90 0.27 1.70 2.02 -1.26 -4.36 118.70 114.91 1v8p s GLU 72 Ca 0.58 1.40 -0.29 0.00 0.02 0.00 0.00 54.97 56.67 1v8p s GLU 72 Cb -0.14 -1.96 -0.10 0.00 0.10 0.00 0.00 34.13 32.03 1v8p s GLU 72 CO 0.55 -1.17 1.28 -0.51 0.02 0.00 0.00 175.26 175.43 1v8p s ASP 73 N -2.52 6.89 0.68 -0.19 -0.00 -1.26 -4.94 116.67 115.32 1v8p s ASP 73 Ca 0.67 2.51 -0.11 0.00 -0.00 0.00 0.00 52.55 55.62 1v8p s ASP 73 Cb -0.20 -2.63 -0.00 0.00 -0.00 0.00 0.00 42.92 40.08 1v8p s ASP 73 CO 0.40 -0.48 1.06 -2.84 -0.00 0.00 0.00 175.17 173.30 1v8p s PRO 74 N -1.01 3.09 0.12 8.23 0.02 -1.26 -5.00 135.00 139.19 1v8p s PRO 74 Ca 0.52 0.82 -0.31 0.00 0.02 0.00 0.00 61.00 62.05 1v8p s PRO 74 Cb -0.37 -2.02 -0.08 0.00 0.02 0.00 0.00 34.50 32.05 1v8p s PRO 74 CO 0.45 -0.95 1.35 -2.14 -0.33 0.00 0.00 177.00 175.37 1v8p s PRO 75 N -5.12 4.35 0.16 5.54 0.02 -1.26 -4.93 135.00 133.76 1v8p s PRO 75 Ca 0.57 2.02 -0.15 0.00 0.02 0.00 0.00 61.00 63.46 1v8p s PRO 75 Cb -0.13 -3.26 0.10 0.00 0.02 0.00 0.00 34.50 31.23 1v8p s PRO 75 CO 0.54 -0.38 1.75 1.25 -0.33 0.00 0.00 177.00 179.83 1v8p h LEU 76 N 6.60 0.13 -1.78 -5.54 6.46 -2.00 -2.26 115.31 116.92 1v8p h LEU 76 Ca -0.42 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 1v8p h LEU 76 Cb 1.21 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.17 1v8p h LEU 76 CO 0.84 0.11 0.13 -2.24 -0.62 0.00 0.00 178.44 176.67 1v8p h ASP 77 N 0.29 0.24 -0.03 1.25 2.03 -1.99 -1.57 116.42 116.64 1v8p h ASP 77 Ca 0.19 -0.01 -0.04 0.00 -0.73 0.00 0.00 57.03 56.44 1v8p h ASP 77 Cb 0.18 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 38.62 1v8p h ASP 77 CO -0.20 0.18 -0.13 -0.33 -1.03 0.00 0.00 179.24 177.73 1v8p h GLU 78 N 0.29 0.15 -0.51 4.15 4.39 -1.83 -2.73 114.58 118.48 1v8p h GLU 78 Ca 0.08 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1v8p h GLU 78 Cb -0.02 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1v8p h GLU 78 CO -0.02 0.76 0.34 0.28 -1.16 0.00 0.00 179.01 179.22 1v8p h VAL 79 N -0.44 1.13 -0.43 3.13 2.07 -1.17 -2.10 116.25 118.44 1v8p h VAL 79 Ca -0.01 -0.24 -0.15 0.00 0.82 0.00 0.00 66.70 67.12 1v8p h VAL 79 Cb 0.78 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1v8p h VAL 79 CO 0.03 0.13 -0.31 0.25 0.02 0.00 0.00 177.57 177.69 1v8p h LEU 80 N 0.70 1.02 -0.60 2.57 6.46 -1.32 -0.71 115.31 123.43 1v8p h LEU 80 Ca 0.19 -0.43 0.03 0.00 -0.12 0.00 0.00 57.88 57.54 1v8p h LEU 80 Cb -0.08 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 39.53 1v8p h LEU 80 CO -0.04 1.24 0.36 -0.09 -0.62 0.00 0.00 178.44 179.29 1v8p h ARG 81 N 0.81 0.70 -0.42 1.25 2.43 -1.06 -0.79 114.38 117.29 1v8p h ARG 81 Ca 0.08 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 1v8p h ARG 81 Cb 0.90 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1v8p h ARG 81 CO 0.08 0.46 -0.25 0.28 -1.51 0.00 0.00 179.97 179.04 1v8p h VAL 82 N 0.72 1.27 -0.81 0.20 2.07 -1.30 -1.49 116.25 116.92 1v8p h VAL 82 Ca 0.24 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 1v8p h VAL 82 Cb 0.02 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1v8p h VAL 82 CO -0.10 0.48 0.40 0.00 0.02 0.00 0.00 177.57 178.37 1v8p h ALA 83 N 0.82 1.19 -0.02 1.67 0.00 -0.71 -1.58 119.26 120.63 1v8p h ALA 83 Ca 0.09 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 1v8p h ALA 83 Cb 0.82 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1v8p h ALA 83 CO 0.07 0.63 -0.96 0.28 0.00 0.00 0.00 179.25 179.26 1v8p h VAL 84 N 1.14 1.33 -0.02 0.00 2.07 -1.05 -1.77 116.25 117.97 1v8p h VAL 84 Ca 0.28 -2.30 -0.19 0.00 0.82 0.00 0.00 66.70 65.31 1v8p h VAL 84 Cb 0.09 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1v8p h VAL 84 CO -0.04 0.70 -0.82 -0.33 0.02 0.00 0.00 177.57 177.10 1v8p h GLU 85 N 0.33 0.23 -0.18 1.57 5.08 -1.14 -3.32 114.58 117.15 1v8p h GLU 85 Ca -0.10 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1v8p h GLU 85 Cb 1.60 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.92 1v8p h GLU 85 CO 0.18 0.93 0.00 0.54 -1.00 0.00 0.00 179.01 179.66 1v8p n ARG 86 N -3.72 1.83 -3.15 2.33 1.74 -0.61 -4.99 116.66 110.11 1v8p n ARG 86 Ca -0.04 -1.79 -0.14 0.00 -0.77 0.00 0.00 57.85 55.12 1v8p n ARG 86 Cb 0.77 -1.36 0.05 0.00 -1.02 0.00 0.00 32.46 30.90 1v8p n ARG 86 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1v8p n GLY 87 N 1.01 0.06 3.62 -0.13 0.00 -0.97 -5.04 105.19 103.75 1v8p n GLY 87 Ca 0.13 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1v8p n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8p s LEU 88 N -4.76 3.06 0.84 0.99 1.43 -0.70 -5.06 118.68 114.47 1v8p s LEU 88 Ca 0.34 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 1v8p s LEU 88 Cb -0.15 -1.54 0.09 0.00 0.03 0.00 0.00 46.19 44.63 1v8p s LEU 88 CO 0.44 -0.07 1.10 0.42 0.23 0.00 0.00 176.35 178.46 1v8p s THR 89 N -2.41 2.82 0.18 5.49 -4.23 -1.26 -4.55 115.64 111.68 1v8p s THR 89 Ca 0.32 0.27 -0.09 0.00 -1.18 0.00 0.00 61.69 61.01 1v8p s THR 89 Cb -0.04 -2.94 0.06 0.00 1.34 0.00 0.00 72.50 70.92 1v8p s THR 89 CO 0.19 -0.35 1.64 0.15 -0.54 0.00 0.00 174.62 175.71 1v8p h PHE 90 N -1.27 1.15 0.22 3.99 3.57 -1.93 0.13 116.94 122.81 1v8p h PHE 90 Ca -0.48 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 60.82 1v8p h PHE 90 Cb 1.28 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1v8p h PHE 90 CO 0.43 1.01 -0.17 1.88 -2.23 0.00 0.00 178.31 179.23 1v8p h TYR 91 N 0.96 -0.44 -0.39 0.41 0.05 -1.97 -1.62 116.97 113.96 1v8p h TYR 91 Ca 0.17 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.95 1v8p h TYR 91 Cb 0.54 0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.43 1v8p h TYR 91 CO 0.04 -0.26 0.23 -0.44 -1.05 0.00 0.00 178.16 176.68 1v8p h ASP 92 N -0.40 0.48 -0.49 3.88 3.45 -1.90 -2.30 116.42 119.14 1v8p h ASP 92 Ca -0.01 -0.07 0.14 0.00 0.43 0.00 0.00 57.03 57.52 1v8p h ASP 92 Cb 0.35 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.98 1v8p h ASP 92 CO -0.01 0.40 0.35 0.00 -1.57 0.00 0.00 179.24 178.42 1v8p h ALA 93 N 1.09 2.43 0.31 3.45 0.00 -0.51 -1.93 119.26 124.11 1v8p h ALA 93 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1v8p h ALA 93 Cb 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1v8p h ALA 93 CO -0.03 -0.57 -0.28 0.77 0.00 0.00 0.00 179.25 179.14 1v8p h SER 94 N 0.02 -0.75 -0.97 0.00 0.02 -0.69 -0.42 113.55 110.76 1v8p h SER 94 Ca 0.23 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.26 1v8p h SER 94 Cb 0.90 0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.64 1v8p h SER 94 CO -0.01 -0.41 0.64 1.88 -1.14 0.00 0.00 176.83 177.79 1v8p h TYR 95 N -0.61 1.22 0.10 3.45 -1.99 -1.42 -0.65 116.97 117.06 1v8p h TYR 95 Ca -0.02 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.74 1v8p h TYR 95 Cb 0.55 -0.41 0.00 0.00 2.00 0.00 0.00 36.73 38.87 1v8p h TYR 95 CO -0.16 0.76 -0.05 0.00 -0.00 0.00 0.00 178.16 178.71 1v8p h ALA 96 N 1.40 -0.14 -0.07 3.88 0.00 -1.12 -1.50 119.26 121.71 1v8p h ALA 96 Ca 0.36 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1v8p h ALA 96 Cb -0.14 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1v8p h ALA 96 CO -0.08 -0.53 0.04 -0.92 0.00 0.00 0.00 179.25 177.76 1v8p h TYR 97 N -0.24 0.10 0.30 0.00 3.20 -0.79 -2.23 116.97 117.31 1v8p h TYR 97 Ca -0.01 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1v8p h TYR 97 Cb 0.19 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1v8p h TYR 97 CO -0.04 0.17 -0.14 0.28 -1.64 0.00 0.00 178.16 176.78 1v8p h VAL 98 N 0.01 0.72 0.15 1.81 2.07 -1.09 0.28 116.25 120.19 1v8p h VAL 98 Ca 0.02 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1v8p h VAL 98 Cb 0.10 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1v8p h VAL 98 CO -0.00 0.02 -0.53 0.00 0.02 0.00 0.00 177.57 177.08 1v8p h ALA 99 N 0.24 -1.00 -0.42 1.67 0.00 -1.30 0.35 119.26 118.80 1v8p h ALA 99 Ca -0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1v8p h ALA 99 Cb 0.34 0.89 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1v8p h ALA 99 CO 0.07 -1.13 0.15 0.93 0.00 0.00 0.00 179.25 179.26 1v8p h GLU 100 N -0.77 0.60 -0.26 0.00 5.08 -1.40 0.48 114.58 118.32 1v8p h GLU 100 Ca -0.01 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.12 1v8p h GLU 100 Cb 0.77 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1v8p h GLU 100 CO -0.27 0.52 -0.44 1.03 -1.00 0.00 0.00 179.01 178.85 1v8p h SER 101 N 0.60 0.70 -0.10 1.42 0.87 0.22 -3.19 113.55 114.07 1v8p h SER 101 Ca 0.14 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1v8p h SER 101 Cb 0.16 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1v8p h SER 101 CO -0.01 1.04 0.00 -1.20 -0.53 0.00 0.00 176.83 176.13 1v8p n SER 102 N -4.02 2.40 -0.95 6.23 7.64 0.12 -4.95 113.62 120.09 1v8p n SER 102 Ca -0.02 -1.80 -0.10 0.00 1.01 0.00 0.00 58.87 57.96 1v8p n SER 102 Cb 0.55 -0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.68 1v8p n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v8p n GLY 103 N 1.29 0.47 4.00 0.23 0.00 -0.52 -5.02 105.19 105.65 1v8p n GLY 103 Ca 0.17 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 1v8p n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8p s LEU 104 N -2.54 3.70 -0.27 0.99 1.43 0.05 -5.02 118.68 117.01 1v8p s LEU 104 Ca 0.00 -0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 52.64 1v8p s LEU 104 Cb 0.00 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1v8p s LEU 104 CO 0.00 -0.72 0.15 -0.69 0.23 0.00 0.00 176.35 175.32 1v8p s VAL 105 N -2.34 4.95 -0.07 -1.59 1.01 -0.47 -4.35 120.40 117.54 1v8p s VAL 105 Ca 0.53 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.23 1v8p s VAL 105 Cb -0.10 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1v8p s VAL 105 CO 0.33 0.26 1.14 -0.22 0.00 0.00 0.00 175.10 176.61 1v8p s LEU 106 N 1.70 4.27 -0.36 3.92 0.20 -1.26 -1.79 118.68 125.37 1v8p s LEU 106 Ca 0.07 1.73 -0.08 0.00 0.69 0.00 0.00 54.13 56.53 1v8p s LEU 106 Cb -0.16 -3.56 0.04 0.00 -0.43 0.00 0.00 46.19 42.08 1v8p s LEU 106 CO 0.08 -0.54 0.15 -0.69 -0.29 0.00 0.00 176.35 175.07 1v8p s VAL 107 N 2.14 4.13 0.08 1.68 1.01 0.49 -0.78 120.40 129.15 1v8p s VAL 107 Ca 0.53 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1v8p s VAL 107 Cb -0.23 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1v8p s VAL 107 CO 0.21 -0.22 -0.09 0.28 0.00 0.00 0.00 175.10 175.27 1v8p s THR 108 N 1.46 0.81 -1.99 3.92 -1.32 -0.54 -2.22 115.64 115.76 1v8p s THR 108 Ca 0.00 -1.53 0.19 0.00 -1.21 0.00 0.00 61.69 59.14 1v8p s THR 108 Cb -0.20 -1.21 0.37 0.00 -1.51 0.00 0.00 72.50 69.96 1v8p s THR 108 CO 0.04 -0.54 1.31 1.67 -2.21 0.00 0.00 174.62 174.89 1v8p n GLN 109 N 0.73 2.32 -3.20 7.08 -0.06 -1.26 -3.95 117.38 119.04 1v8p n GLN 109 Ca -0.17 -2.13 -0.43 0.00 -2.00 0.00 0.00 57.00 52.27 1v8p n GLN 109 Cb 0.57 -1.43 -0.08 0.00 -4.06 0.00 0.00 30.24 25.24 1v8p n GLN 109 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1v8p s ASP 110 N -1.28 6.27 0.28 1.69 -1.08 -1.26 -4.95 116.67 116.34 1v8p s ASP 110 Ca 0.33 -0.50 0.02 0.00 -0.52 0.00 0.00 52.55 51.88 1v8p s ASP 110 Cb 0.19 -2.28 0.65 0.00 -1.46 0.00 0.00 42.92 40.02 1v8p s ASP 110 CO 0.26 -0.70 1.72 0.03 0.52 0.00 0.00 175.17 177.01 1v8p h ARG 111 N 8.82 0.47 -0.14 4.34 2.47 -1.99 -0.10 114.38 128.25 1v8p h ARG 111 Ca -0.26 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.46 1v8p h ARG 111 Cb 1.10 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 29.28 1v8p h ARG 111 CO 0.85 0.31 -0.05 1.49 0.56 0.00 0.00 179.97 183.13 1v8p h GLU 112 N 0.49 -0.03 -0.32 0.04 4.57 -1.99 -1.20 114.58 116.14 1v8p h GLU 112 Ca 0.52 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.61 1v8p h GLU 112 Cb 0.89 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.48 1v8p h GLU 112 CO -0.46 -0.02 -0.19 -0.07 -1.18 0.00 0.00 179.01 177.09 1v8p h LEU 113 N -0.03 0.57 0.66 1.64 3.38 -1.50 -2.24 115.31 117.79 1v8p h LEU 113 Ca 0.07 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1v8p h LEU 113 Cb 0.14 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1v8p h LEU 113 CO -0.17 0.77 -0.34 -0.07 0.09 0.00 0.00 178.44 178.73 1v8p h LEU 114 N 0.52 -0.81 -2.17 1.67 3.38 -0.70 0.01 115.31 117.20 1v8p h LEU 114 Ca 0.08 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1v8p h LEU 114 Cb 0.61 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1v8p h LEU 114 CO 0.04 -0.56 0.13 0.00 0.09 0.00 0.00 178.44 178.15 1v8p h ALA 115 N -0.57 1.92 -0.08 1.53 0.00 -1.17 -2.89 119.26 118.01 1v8p h ALA 115 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1v8p h ALA 115 Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1v8p h ALA 115 CO 0.13 -0.21 0.00 1.63 0.00 0.00 0.00 179.25 180.80 1v8p n LYS 116 N -4.13 1.73 -4.04 0.00 5.02 -0.85 -4.88 118.16 111.01 1v8p n LYS 116 Ca 0.01 -1.70 -0.33 0.00 -2.02 0.00 0.00 58.31 54.26 1v8p n LYS 116 Cb 0.25 -1.37 -0.15 0.00 -0.02 0.00 0.00 35.03 33.74 1v8p n LYS 116 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1v8p s THR 117 N -1.52 2.41 -0.16 -0.18 2.01 -0.05 -5.04 115.64 113.12 1v8p s THR 117 Ca 0.24 -1.22 -0.33 0.00 0.31 0.00 0.00 61.69 60.68 1v8p s THR 117 Cb 0.16 -2.24 -0.10 0.00 0.01 0.00 0.00 72.50 70.33 1v8p s THR 117 CO 0.24 0.21 2.01 1.17 -0.69 0.00 0.00 174.62 177.56 1v8p n LYS 118 N 4.57 1.98 -0.22 4.92 4.81 -1.26 -1.05 118.16 131.91 1v8p n LYS 118 Ca -0.17 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1v8p n LYS 118 Cb 0.46 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.76 1v8p n LYS 118 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1v8p n GLY 119 N 5.08 0.96 3.74 3.14 0.00 -1.26 -4.83 105.19 112.02 1v8p n GLY 119 Ca 0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 1v8p n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v8p n ALA 120 N -0.95 1.44 -2.30 4.61 0.00 -0.22 -4.47 120.51 118.62 1v8p n ALA 120 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 1v8p n ALA 120 Cb 0.00 -2.34 -0.09 0.00 0.00 0.00 0.00 19.45 17.02 1v8p n ALA 120 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1v8p s ILE 121 N -1.32 0.04 0.54 0.00 -0.00 0.04 -4.95 121.20 115.56 1v8p s ILE 121 Ca 0.74 -1.87 0.05 0.00 -0.00 0.00 0.00 60.65 59.58 1v8p s ILE 121 Cb -0.41 -2.25 0.05 0.00 -0.00 0.00 0.00 42.46 39.85 1v8p s ILE 121 CO 0.47 -0.19 0.74 1.51 -0.00 0.00 0.00 174.94 177.47 1v8p s ASP 122 N -3.09 5.22 0.28 4.36 1.47 -1.25 -1.47 116.67 122.19 1v8p s ASP 122 Ca 0.30 -0.38 -0.01 0.00 1.18 0.00 0.00 52.55 53.64 1v8p s ASP 122 Cb 0.06 -0.42 0.48 0.00 -0.34 0.00 0.00 42.92 42.70 1v8p s ASP 122 CO 0.07 -1.17 1.90 0.58 0.68 0.00 0.00 175.17 177.23 1v8p h VAL 123 N 0.19 1.07 -0.08 2.11 2.07 -1.93 -0.52 116.25 119.15 1v8p h VAL 123 Ca -0.38 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1v8p h VAL 123 Cb 1.28 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1v8p h VAL 123 CO 0.45 0.20 0.04 -0.08 0.02 0.00 0.00 177.57 178.20 1v8p h GLU 124 N 1.10 0.12 0.00 1.57 4.81 -1.96 -0.83 114.58 119.39 1v8p h GLU 124 Ca 0.41 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.60 1v8p h GLU 124 Cb 0.20 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1v8p h GLU 124 CO -0.16 0.21 -0.13 1.15 -0.73 0.00 0.00 179.01 179.34 1v8p h THR 125 N 0.01 1.03 -0.22 0.32 2.02 -1.76 -1.88 112.91 112.43 1v8p h THR 125 Ca 0.03 -0.46 -0.11 0.00 0.77 0.00 0.00 66.41 66.64 1v8p h THR 125 Cb 0.12 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1v8p h THR 125 CO -0.00 0.13 -0.30 0.25 0.37 0.00 0.00 175.52 175.96 1v8p h LEU 126 N 0.00 0.64 -0.10 2.58 5.85 -0.57 -2.96 115.31 120.74 1v8p h LEU 126 Ca -0.00 -0.51 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 1v8p h LEU 126 Cb 0.24 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1v8p h LEU 126 CO 0.02 1.02 0.05 -0.07 -0.34 0.00 0.00 178.44 179.12 1v8p h LEU 127 N 0.27 0.14 -1.14 2.25 3.38 -0.53 -1.90 115.31 117.78 1v8p h LEU 127 Ca 0.02 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 57.95 1v8p h LEU 127 Cb 0.88 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 1v8p h LEU 127 CO 0.07 0.23 0.60 -0.37 0.09 0.00 0.00 178.44 179.06 1v8p h VAL 128 N 0.03 0.98 -0.02 1.22 -1.51 -1.43 0.62 116.25 116.14 1v8p h VAL 128 Ca 0.04 -0.33 -0.00 0.00 -1.23 0.00 0.00 66.70 65.18 1v8p h VAL 128 Cb 0.13 -0.05 -0.00 0.00 -2.13 0.00 0.00 31.29 29.24 1v8p h VAL 128 CO -0.00 0.17 0.01 0.03 -1.23 0.00 0.00 177.57 176.55 1v8p h ARG 129 N 0.95 0.03 0.00 5.19 3.08 -1.32 -2.44 114.38 119.88 1v8p h ARG 129 Ca 0.43 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.45 1v8p h ARG 129 Cb 0.37 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1v8p h ARG 129 CO -0.19 0.24 -0.09 -0.07 -1.07 0.00 0.00 179.97 178.80 1v8p h LEU 130 N -0.18 0.00 -1.48 3.04 3.38 -0.76 -1.29 115.31 118.01 1v8p h LEU 130 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1v8p h LEU 130 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1v8p h LEU 130 CO -0.00 0.09 -0.05 0.00 0.09 0.00 0.00 178.44 178.57 1v8p h ALA 131 N 1.91 1.58 -0.03 1.53 0.00 -0.42 -2.24 119.26 121.58 1v8p h ALA 131 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1v8p h ALA 131 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1v8p h ALA 131 CO 0.01 0.31 0.01 0.00 0.00 0.00 0.00 179.25 179.58 1v8p n ALA 132 N -2.49 2.60 -1.62 0.00 0.00 -0.49 -5.10 120.51 113.41 1v8p n ALA 132 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1v8p n ALA 132 Cb 0.21 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1v8p n ALA 132 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54