#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v8p s VAL 3 N 0.00 5.35 -0.07 0.00 1.01 -1.22 -3.16 120.40 122.31 1v8p s VAL 3 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1v8p s VAL 3 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 1v8p s VAL 3 CO 0.00 0.38 -0.07 -0.62 0.00 0.00 0.00 175.10 174.79 1v8p n GLU 4 N 3.88 0.18 -4.88 2.72 1.02 -0.50 -4.96 120.64 118.10 1v8p n GLU 4 Ca -0.14 0.04 -0.33 0.00 -0.02 0.00 0.00 57.16 56.72 1v8p n GLU 4 Cb 0.52 -1.12 -0.14 0.00 -0.02 0.00 0.00 31.44 30.68 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 -2.15 2.72 -0.37 -0.32 1.51 -0.26 -0.92 117.35 117.56 1v8p s TYR 5 Ca -0.10 -0.43 -0.12 0.00 -1.01 0.00 0.00 57.07 55.41 1v8p s TYR 5 Cb 0.03 -1.72 0.02 0.00 -0.11 0.00 0.00 41.96 40.17 1v8p s TYR 5 CO 0.17 -0.03 0.23 -1.17 -1.11 0.00 0.00 175.55 173.64 1v8p s LEU 6 N -0.20 4.74 -0.21 -1.29 2.96 -1.00 -1.70 118.68 121.97 1v8p s LEU 6 Ca 0.00 -0.83 -0.14 0.00 -0.22 0.00 0.00 54.13 52.94 1v8p s LEU 6 Cb -0.13 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 1v8p s LEU 6 CO 0.03 -0.36 0.30 -0.69 -1.32 0.00 0.00 176.35 174.31 1v8p s VAL 7 N 1.62 5.27 0.24 1.68 1.01 -0.02 -0.63 120.40 129.57 1v8p s VAL 7 Ca 0.04 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 1v8p s VAL 7 Cb -0.19 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.61 1v8p s VAL 7 CO 0.08 0.30 0.32 -0.90 0.00 0.00 0.00 175.10 174.90 1v8p n ASP 8 N 4.30 0.23 0.01 3.32 5.68 -0.98 -4.51 116.55 124.59 1v8p n ASP 8 Ca -0.11 -1.24 -0.12 0.00 -0.50 0.00 0.00 54.79 52.81 1v8p n ASP 8 Cb 0.51 -0.23 -0.08 0.00 -1.14 0.00 0.00 41.12 40.18 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 -1.12 0.02 -0.77 2.12 0.00 -1.90 0.24 119.26 117.85 1v8p h ALA 9 Ca -0.11 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1v8p h ALA 9 Cb 0.34 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1v8p h ALA 9 CO 0.09 -0.35 0.51 0.66 0.00 0.00 0.00 179.25 180.16 1v8p h SER 10 N -0.24 0.84 -0.04 0.00 4.64 -1.95 0.46 113.55 117.27 1v8p h SER 10 Ca 0.00 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 1v8p h SER 10 Cb 0.27 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1v8p h SER 10 CO 0.00 0.60 -0.14 0.00 -0.87 0.00 0.00 176.83 176.42 1v8p h ALA 11 N 1.54 0.07 -0.88 5.18 0.00 -1.80 -2.93 119.26 120.44 1v8p h ALA 11 Ca 0.29 -0.37 0.13 0.00 0.00 0.00 0.00 54.91 54.96 1v8p h ALA 11 Cb -0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.66 1v8p h ALA 11 CO -0.07 -0.01 0.49 1.25 0.00 0.00 0.00 179.25 180.91 1v8p h LEU 12 N -0.41 0.66 -0.89 0.00 7.12 -0.27 0.08 115.31 121.60 1v8p h LEU 12 Ca -0.01 0.07 -0.03 0.00 0.13 0.00 0.00 57.88 58.04 1v8p h LEU 12 Cb 0.78 -0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 40.82 1v8p h LEU 12 CO 0.03 0.33 0.37 0.22 -0.13 0.00 0.00 178.44 179.25 1v8p h TYR 13 N 0.75 1.18 0.00 1.25 3.20 -0.90 -2.01 116.97 120.45 1v8p h TYR 13 Ca 0.45 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 62.26 1v8p h TYR 13 Cb 0.54 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1v8p h TYR 13 CO -0.06 0.86 -0.00 0.00 -1.64 0.00 0.00 178.16 177.32 1v8p h ALA 14 N 1.24 -0.00 -0.60 1.82 0.00 -1.16 -3.19 119.26 117.36 1v8p h ALA 14 Ca 0.28 -0.37 0.17 0.00 0.00 0.00 0.00 54.91 54.99 1v8p h ALA 14 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1v8p h ALA 14 CO -0.03 -0.13 0.58 -0.07 0.00 0.00 0.00 179.25 179.60 1v8p h LEU 15 N -0.75 0.00 0.00 0.00 3.38 -0.93 0.20 115.31 117.22 1v8p h LEU 15 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1v8p h LEU 15 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1v8p h LEU 15 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1v8p n ALA 16 N -2.43 1.24 0.64 1.53 0.00 -0.76 -0.41 120.51 120.33 1v8p n ALA 16 Ca 0.12 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.62 1v8p n ALA 16 Cb 0.80 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 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 -1.39 3.20 -2.51 0.00 0.00 0.71 -4.47 120.51 116.05 1v8p n ALA 17 Ca 0.01 -0.49 -0.25 0.00 0.00 0.00 0.00 53.44 52.71 1v8p n ALA 17 Cb 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.35 3.14 0.17 0.00 -0.00 0.45 -4.91 115.22 113.71 1v8p n HIS 18 Ca 0.05 -3.10 -0.14 0.00 -0.00 0.00 0.00 57.72 54.53 1v8p n HIS 18 Cb 0.29 -0.13 -0.07 0.00 -0.00 0.00 0.00 29.99 30.08 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 -0.89 -0.19 4.41 3.20 -1.77 -2.55 116.97 121.81 1v8p h TYR 19 Ca 0.25 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.18 1v8p h TYR 19 Cb 0.94 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.57 1v8p h TYR 19 CO 0.78 -0.45 0.19 -0.44 -1.64 0.00 0.00 178.16 176.60 1v8p h ASP 20 N -0.62 0.00 1.26 -2.11 3.32 -1.92 -2.06 116.42 114.28 1v8p h ASP 20 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1v8p h ASP 20 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1v8p h ASP 20 CO -0.12 0.00 0.00 0.11 -1.72 0.00 0.00 179.24 177.51 1v8p h LYS 21 N 0.00 0.00 0.00 3.56 1.57 -1.85 -3.38 116.57 116.46 1v8p h LYS 21 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1v8p h LYS 21 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1v8p h LYS 21 CO -0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 179.45 176.21 1v8p n TRP 22 N -2.56 0.00 0.10 -1.35 4.27 -0.83 -4.88 117.44 112.18 1v8p n TRP 22 Ca 0.03 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.51 1v8p n TRP 22 Cb 0.36 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.25 1v8p n TRP 22 CO 0.00 0.00 0.00 -0.84 -2.29 0.00 0.00 177.69 174.56 1v8p h ILE 23 N 0.17 0.19 0.00 -1.67 -0.00 -1.59 0.17 117.51 114.77 1v8p h ILE 23 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1v8p h ILE 23 Cb 0.09 0.19 0.00 0.00 -0.00 0.00 0.00 36.82 37.09 1v8p h ILE 23 CO 0.00 0.00 0.37 0.50 -0.00 0.00 0.00 178.15 179.02 1v8p h LYS 24 N -0.60 0.00 -0.23 0.16 3.64 -1.87 0.93 116.57 118.59 1v8p h LYS 24 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1v8p h LYS 24 Cb 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1v8p h LYS 24 CO -0.26 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.64 1v8p n HIS 25 N -2.08 0.30 -0.29 1.91 8.25 0.52 -4.77 115.22 119.06 1v8p n HIS 25 Ca -0.01 -0.29 0.07 0.00 -0.26 0.00 0.00 57.72 57.23 1v8p n HIS 25 Cb 0.39 -0.01 0.18 0.00 1.12 0.00 0.00 29.99 31.66 1v8p n HIS 25 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1v8p h ARG 26 N 2.37 0.05 0.00 -0.41 0.11 0.17 -0.33 114.38 116.34 1v8p h ARG 26 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1v8p h ARG 26 Cb 0.66 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.73 1v8p h ARG 26 CO 0.00 0.03 0.17 -0.85 0.10 0.00 0.00 179.97 179.42 1v8p n GLU 27 N -5.44 0.07 0.00 0.08 0.00 -1.26 0.14 120.64 114.23 1v8p n GLU 27 Ca 0.16 0.51 0.12 0.00 0.00 0.00 0.00 57.16 57.95 1v8p n GLU 27 Cb 0.54 -1.89 0.12 0.00 0.00 0.00 0.00 31.44 30.21 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 -1.84 1.37 -4.29 3.44 5.02 -0.13 -3.41 118.16 118.32 1v8p n LYS 28 Ca -0.01 -1.07 -0.34 0.00 -2.02 0.00 0.00 58.31 54.87 1v8p n LYS 28 Cb 0.18 -1.48 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 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 -2.37 3.15 0.10 -0.35 1.02 0.38 -1.11 118.68 119.51 1v8p s LEU 29 Ca 0.22 -0.20 0.01 0.00 0.02 0.00 0.00 54.13 54.18 1v8p s LEU 29 Cb 0.19 -1.77 -0.04 0.00 0.02 0.00 0.00 46.19 44.58 1v8p s LEU 29 CO 0.50 0.11 -0.03 0.00 0.02 0.00 0.00 176.35 176.95 1v8p s ALA 30 N 0.68 0.94 0.00 4.21 0.00 -0.69 -2.31 121.76 124.59 1v8p s ALA 30 Ca -0.02 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.56 1v8p s ALA 30 Cb -0.14 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1v8p s ALA 30 CO 0.02 -0.30 0.00 0.44 0.00 0.00 0.00 175.76 175.92 1v8p n ILE 31 N -0.05 0.00 -4.14 0.00 -5.35 -0.32 -0.84 119.36 108.66 1v8p n ILE 31 Ca -0.11 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.13 1v8p n ILE 31 Cb 0.62 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.44 1v8p n ILE 31 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1v8p s LEU 32 N 0.00 3.14 0.42 7.28 1.43 -1.26 -2.10 118.68 127.58 1v8p s LEU 32 Ca 0.00 -0.96 0.11 0.00 -1.03 0.00 0.00 54.13 52.25 1v8p s LEU 32 Cb 0.00 -1.53 0.89 0.00 0.03 0.00 0.00 46.19 45.58 1v8p s LEU 32 CO 0.00 -0.42 1.98 0.45 0.23 0.00 0.00 176.35 178.59 1v8p h HIS 33 N 1.52 0.22 -0.95 0.29 3.86 -1.93 -1.97 115.15 116.18 1v8p h HIS 33 Ca -0.43 -0.02 0.07 0.00 -1.16 0.00 0.00 60.37 58.84 1v8p h HIS 33 Cb 1.25 -0.07 -0.07 0.00 1.06 0.00 0.00 27.41 29.59 1v8p h HIS 33 CO 0.64 0.29 0.62 1.25 0.86 0.00 0.00 177.93 181.58 1v8p h LEU 34 N 0.22 0.95 -1.77 2.43 6.46 -1.96 -2.36 115.31 119.28 1v8p h LEU 34 Ca 0.05 0.01 0.18 0.00 -0.12 0.00 0.00 57.88 58.00 1v8p h LEU 34 Cb 0.25 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 39.95 1v8p h LEU 34 CO 0.01 0.59 0.50 0.74 -0.62 0.00 0.00 178.44 179.67 1v8p h THR 35 N 1.07 0.72 -0.17 1.05 2.02 -1.73 -0.74 112.91 115.12 1v8p h THR 35 Ca 0.42 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.48 1v8p h THR 35 Cb 0.24 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1v8p h THR 35 CO -0.17 0.04 -0.07 0.40 0.37 0.00 0.00 175.52 176.09 1v8p h ILE 36 N 0.21 1.30 -0.50 3.11 2.04 -1.55 -1.83 117.51 120.29 1v8p h ILE 36 Ca 0.36 -1.08 -0.12 0.00 1.00 0.00 0.00 64.86 65.01 1v8p h ILE 36 Cb 1.09 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 1v8p h ILE 36 CO -0.07 0.32 -0.16 1.88 0.00 0.00 0.00 178.15 180.12 1v8p h TYR 37 N 0.05 1.13 -0.51 1.37 -1.99 -1.29 -1.65 116.97 114.09 1v8p h TYR 37 Ca 0.04 -0.26 -0.09 0.00 2.00 0.00 0.00 58.73 60.43 1v8p h TYR 37 Cb 0.53 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 1v8p h TYR 37 CO 0.06 1.08 -0.02 0.93 -0.00 0.00 0.00 178.16 180.21 1v8p h GLU 38 N 0.86 0.91 0.20 4.88 5.08 -1.26 -1.20 114.58 124.05 1v8p h GLU 38 Ca 0.12 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1v8p h GLU 38 Cb 0.74 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1v8p h GLU 38 CO 0.06 0.94 -0.10 0.00 -1.00 0.00 0.00 179.01 178.92 1v8p h ALA 39 N 0.93 -0.27 -0.76 3.43 0.00 -1.23 -2.37 119.26 118.99 1v8p h ALA 39 Ca 0.14 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.09 1v8p h ALA 39 Cb 0.54 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1v8p h ALA 39 CO 0.03 -0.58 0.51 0.78 0.00 0.00 0.00 179.25 179.99 1v8p h GLY 40 N -0.41 0.73 2.00 0.00 0.00 -1.24 -0.26 103.07 103.89 1v8p h GLY 40 Ca -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1v8p h GLY 40 CO 0.04 0.06 -0.15 -0.57 0.00 0.00 0.00 176.54 175.92 1v8p h ASN 41 N 0.43 0.00 0.26 0.19 -0.73 -0.80 -1.06 115.58 113.87 1v8p h ASN 41 Ca 0.37 0.00 -0.34 0.00 1.87 0.00 0.00 56.30 58.21 1v8p h ASN 41 Cb 0.84 0.00 0.04 0.00 0.27 0.00 0.00 38.32 39.47 1v8p h ASN 41 CO -0.12 0.15 -1.48 0.00 -0.37 0.00 0.00 177.43 175.61 1v8p h ALA 42 N 1.85 -0.16 -0.38 1.57 0.00 -0.57 -2.61 119.26 118.96 1v8p h ALA 42 Ca -0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 54.91 53.94 1v8p h ALA 42 Cb 0.75 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1v8p h ALA 42 CO 0.02 0.69 -0.21 1.25 0.00 0.00 0.00 179.25 181.01 1v8p h LEU 43 N 0.15 0.74 -0.53 0.00 6.46 -1.26 -2.17 115.31 118.70 1v8p h LEU 43 Ca -0.26 -0.26 0.02 0.00 -0.12 0.00 0.00 57.88 57.27 1v8p h LEU 43 Cb 2.17 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 41.86 1v8p h LEU 43 CO 0.28 0.94 0.32 -0.25 -0.62 0.00 0.00 178.44 179.11 1v8p h TRP 44 N 0.65 0.61 -0.96 1.25 7.01 -1.21 0.19 115.95 123.48 1v8p h TRP 44 Ca 0.09 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.11 1v8p h TRP 44 Cb 0.70 -0.20 -0.05 0.00 -2.10 0.00 0.00 29.16 27.51 1v8p h TRP 44 CO 0.03 0.35 0.61 0.87 -2.79 0.00 0.00 178.44 177.52 1v8p h LYS 45 N 0.64 1.29 -0.23 2.65 1.57 -1.08 0.15 116.57 121.55 1v8p h LYS 45 Ca 0.21 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 1v8p h LYS 45 Cb 0.01 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 1v8p h LYS 45 CO -0.09 0.87 -0.33 0.93 -0.57 0.00 0.00 179.45 180.26 1v8p h GLU 46 N 1.32 0.49 -0.33 3.15 5.08 -0.65 -1.59 114.58 122.05 1v8p h GLU 46 Ca 0.35 -0.22 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 1v8p h GLU 46 Cb -0.11 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1v8p h GLU 46 CO -0.07 0.77 -0.37 0.00 -1.00 0.00 0.00 179.01 178.34 1v8p h ALA 47 N 1.22 0.74 -0.15 3.43 0.00 0.28 -1.05 119.26 123.73 1v8p h ALA 47 Ca 0.05 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1v8p h ALA 47 Cb 0.79 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1v8p h ALA 47 CO 0.06 0.66 -0.13 0.00 0.00 0.00 0.00 179.25 179.85 1v8p h ARG 48 N 0.63 0.24 -0.71 0.00 2.47 -0.44 -2.87 114.38 113.70 1v8p h ARG 48 Ca 0.06 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1v8p h ARG 48 Cb 0.91 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 1v8p h ARG 48 CO 0.08 0.38 0.00 1.28 0.56 0.00 0.00 179.97 182.27 1v8p n LEU 49 N -4.28 4.27 0.00 3.04 4.77 -0.62 -4.91 117.00 119.27 1v8p n LEU 49 Ca -0.01 -2.16 0.00 0.00 -0.03 0.00 0.00 56.01 53.81 1v8p n LEU 49 Cb 0.27 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1v8p n LEU 49 CO 0.38 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 1v8p n GLY 50 N 0.45 0.53 3.67 -0.72 0.00 -1.08 -5.03 105.19 103.01 1v8p n GLY 50 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.70 4.15 0.08 1.61 3.52 -0.43 -4.89 118.95 122.30 1v8p s ARG 51 Ca 0.00 2.51 -0.14 0.00 -0.13 0.00 0.00 55.73 57.97 1v8p s ARG 51 Cb 0.00 -3.92 -0.21 0.00 -1.56 0.00 0.00 34.95 29.26 1v8p s ARG 51 CO 0.00 -0.88 1.22 0.28 -0.81 0.00 0.00 175.30 175.11 1v8p h VAL 52 N 5.28 1.29 -0.59 7.11 2.07 -1.92 -3.34 116.25 126.15 1v8p h VAL 52 Ca -0.46 -2.13 -0.40 0.00 0.82 0.00 0.00 66.70 64.54 1v8p h VAL 52 Cb 1.22 2.25 -0.17 0.00 -1.52 0.00 0.00 31.29 33.07 1v8p h VAL 52 CO 0.94 0.66 0.51 -0.90 0.02 0.00 0.00 177.57 178.81 1v8p n ASP 53 N -3.92 6.54 -0.16 0.57 3.85 -1.26 -4.63 116.55 117.53 1v8p n ASP 53 Ca -0.10 -3.21 -0.09 0.00 -0.71 0.00 0.00 54.79 50.68 1v8p n ASP 53 Cb 0.81 -1.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.57 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 1.53 0.78 -0.07 2.11 5.08 -1.98 -0.86 115.95 122.54 1v8p h TRP 54 Ca 0.36 -0.09 0.03 0.00 1.08 0.00 0.00 58.89 60.27 1v8p h TRP 54 Cb 0.97 -0.22 -0.03 0.00 -3.00 0.00 0.00 29.16 26.88 1v8p h TRP 54 CO 0.95 0.70 -0.10 0.00 -1.28 0.00 0.00 178.44 178.71 1v8p h ALA 55 N 0.99 -0.05 -0.82 0.11 0.00 -1.93 0.27 119.26 117.83 1v8p h ALA 55 Ca 0.15 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1v8p h ALA 55 Cb 0.30 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1v8p h ALA 55 CO -0.00 -0.57 0.41 0.00 0.00 0.00 0.00 179.25 179.09 1v8p h ALA 56 N 0.90 1.05 -0.22 0.00 0.00 -1.91 -2.39 119.26 116.69 1v8p h ALA 56 Ca 0.06 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1v8p h ALA 56 Cb 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1v8p h ALA 56 CO -0.15 0.60 -0.20 0.00 0.00 0.00 0.00 179.25 179.50 1v8p h ALA 57 N 1.22 1.26 0.00 0.00 0.00 -0.58 -2.46 119.26 118.70 1v8p h ALA 57 Ca 0.28 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1v8p h ALA 57 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1v8p h ALA 57 CO -0.04 0.49 -0.22 0.66 0.00 0.00 0.00 179.25 180.14 1v8p h SER 58 N 0.35 0.00 -0.03 0.00 4.64 0.04 -2.01 113.55 116.53 1v8p h SER 58 Ca 0.06 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.16 1v8p h SER 58 Cb 0.55 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1v8p h SER 58 CO 0.04 0.22 -0.80 0.03 -0.87 0.00 0.00 176.83 175.46 1v8p h ARG 59 N 0.00 0.69 -0.47 4.77 3.08 -1.30 -1.88 114.38 119.27 1v8p h ARG 59 Ca -0.00 -0.58 -0.09 0.00 0.07 0.00 0.00 59.98 59.37 1v8p h ARG 59 Cb 0.43 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1v8p h ARG 59 CO 0.03 1.20 -0.08 1.25 -1.07 0.00 0.00 179.97 181.29 1v8p h HIS 60 N 0.46 0.90 -0.06 3.04 2.76 -1.42 -1.80 115.15 119.03 1v8p h HIS 60 Ca -0.05 -0.16 -0.10 0.00 -2.20 0.00 0.00 60.37 57.85 1v8p h HIS 60 Cb 1.42 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 30.13 1v8p h HIS 60 CO 0.08 0.87 -0.44 1.25 -1.30 0.00 0.00 177.93 178.39 1v8p h LEU 61 N 0.75 0.14 0.18 0.26 6.46 -1.32 -1.20 115.31 120.59 1v8p h LEU 61 Ca 0.13 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1v8p h LEU 61 Cb 0.57 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1v8p h LEU 61 CO 0.03 0.57 -0.09 0.50 -0.62 0.00 0.00 178.44 178.83 1v8p h LYS 62 N 0.11 -0.24 0.13 1.25 3.64 -0.77 -1.34 116.57 119.35 1v8p h LYS 62 Ca 0.01 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1v8p h LYS 62 Cb 0.82 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1v8p h LYS 62 CO 0.06 0.01 -0.22 -0.22 -2.27 0.00 0.00 179.45 176.81 1v8p h LYS 63 N -0.46 -0.40 0.18 1.90 3.64 -1.19 -1.41 116.57 118.83 1v8p h LYS 63 Ca -0.02 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1v8p h LYS 63 Cb 0.35 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1v8p h LYS 63 CO 0.04 -0.27 -0.46 0.28 -2.27 0.00 0.00 179.45 176.77 1v8p h VAL 64 N -0.42 0.09 -0.82 2.00 2.07 -1.22 -2.10 116.25 115.86 1v8p h VAL 64 Ca 0.02 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.73 1v8p h VAL 64 Cb 0.43 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 1v8p h VAL 64 CO -0.11 0.00 0.55 -0.07 0.02 0.00 0.00 177.57 177.96 1v8p h LEU 65 N -0.74 0.32 -0.79 2.57 3.38 -1.11 -0.25 115.31 118.69 1v8p h LEU 65 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1v8p h LEU 65 Cb 0.73 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1v8p h LEU 65 CO -0.23 0.14 0.00 0.77 0.09 0.00 0.00 178.44 179.21 1v8p h SER 66 N 0.32 0.00 -0.00 -0.43 4.64 -0.57 -2.91 113.55 114.60 1v8p h SER 66 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1v8p h SER 66 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1v8p h SER 66 CO -0.12 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.64 1v8p n SER 67 N -2.65 0.10 -4.51 4.97 7.64 -0.10 -4.83 113.62 114.24 1v8p n SER 67 Ca 0.02 -1.16 -0.33 0.00 1.01 0.00 0.00 58.87 58.41 1v8p n SER 67 Cb 0.32 -0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.39 1v8p n SER 67 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1v8p s PHE 68 N -2.00 2.81 0.74 1.43 0.40 -1.10 -4.77 117.98 115.49 1v8p s PHE 68 Ca 0.41 -0.11 -0.12 0.00 -0.60 0.00 0.00 56.93 56.51 1v8p s PHE 68 Cb 0.19 -1.68 0.04 0.00 0.51 0.00 0.00 43.02 42.09 1v8p s PHE 68 CO 0.32 0.22 1.11 0.15 0.70 0.00 0.00 175.22 177.72 1v8p s LYS 69 N -0.69 2.34 -0.20 0.44 1.02 -0.98 -4.79 119.74 116.89 1v8p s LYS 69 Ca 0.10 1.30 0.01 0.00 0.02 0.00 0.00 55.97 57.40 1v8p s LYS 69 Cb -0.11 -1.90 0.04 0.00 -0.52 0.00 0.00 37.83 35.34 1v8p s LYS 69 CO 0.01 -1.60 -0.12 0.08 -0.92 0.00 0.00 175.35 172.80 1v8p s VAL 70 N -2.66 1.79 0.74 3.17 1.01 -1.26 -1.17 120.40 122.02 1v8p s VAL 70 Ca 0.64 -1.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 1v8p s VAL 70 Cb -0.19 -1.81 0.04 0.00 0.00 0.00 0.00 36.38 34.42 1v8p s VAL 70 CO 0.51 0.22 1.08 -0.76 0.00 0.00 0.00 175.10 176.15 1v8p s LEU 71 N 1.34 3.00 0.67 3.92 1.43 -0.89 -4.98 118.68 123.17 1v8p s LEU 71 Ca -0.01 1.67 -0.15 0.00 -1.03 0.00 0.00 54.13 54.61 1v8p s LEU 71 Cb -0.16 -4.43 0.01 0.00 0.03 0.00 0.00 46.19 41.64 1v8p s LEU 71 CO -0.09 -1.78 1.12 -1.61 0.23 0.00 0.00 176.35 174.21 1v8p s GLU 72 N -4.99 2.71 0.39 1.70 2.02 -1.26 -4.42 118.70 114.84 1v8p s GLU 72 Ca 0.60 1.40 -0.26 0.00 0.02 0.00 0.00 54.97 56.73 1v8p s GLU 72 Cb -0.15 -1.94 -0.09 0.00 0.10 0.00 0.00 34.13 32.05 1v8p s GLU 72 CO 0.55 -1.32 1.17 -0.51 0.02 0.00 0.00 175.26 175.17 1v8p s ASP 73 N -2.59 6.61 0.77 -0.19 -0.00 -1.26 -4.96 116.67 115.04 1v8p s ASP 73 Ca 0.67 2.34 -0.12 0.00 -0.00 0.00 0.00 52.55 55.45 1v8p s ASP 73 Cb -0.21 -2.62 0.05 0.00 -0.00 0.00 0.00 42.92 40.15 1v8p s ASP 73 CO 0.43 -0.61 1.11 -2.84 -0.00 0.00 0.00 175.17 173.26 1v8p s PRO 74 N -2.21 2.34 -0.46 8.23 0.02 -1.26 -4.96 135.00 136.70 1v8p s PRO 74 Ca 0.56 0.45 -0.28 0.00 0.02 0.00 0.00 61.00 61.74 1v8p s PRO 74 Cb -0.31 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.25 1v8p s PRO 74 CO 0.39 -1.39 1.52 -2.14 -0.33 0.00 0.00 177.00 175.05 1v8p s PRO 75 N -5.33 3.36 0.45 5.54 0.02 -1.26 -4.77 135.00 133.01 1v8p s PRO 75 Ca 0.60 0.84 0.37 0.00 0.02 0.00 0.00 61.00 62.83 1v8p s PRO 75 Cb -0.12 -4.12 1.45 0.00 0.02 0.00 0.00 34.50 31.73 1v8p s PRO 75 CO 0.52 -1.85 1.40 -0.11 -0.33 0.00 0.00 177.00 176.64 1v8p n LEU 76 N 9.69 0.10 0.00 -5.54 0.00 -1.26 0.67 117.00 120.66 1v8p n LEU 76 Ca 0.17 1.08 0.00 0.00 0.00 0.00 0.00 56.01 57.25 1v8p n LEU 76 Cb 0.49 -0.53 0.00 0.00 0.00 0.00 0.00 43.42 43.37 1v8p n LEU 76 CO 0.70 -1.13 0.45 -0.67 0.00 0.00 0.00 177.39 176.74 1v8p n ASP 77 N -4.13 0.00 0.00 1.96 4.64 -1.26 -2.12 116.55 115.65 1v8p n ASP 77 Ca 0.38 0.90 0.00 0.00 -1.38 0.00 0.00 54.79 54.69 1v8p n ASP 77 Cb 1.61 -0.40 0.00 0.00 -1.04 0.00 0.00 41.12 41.29 1v8p n ASP 77 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1v8p n GLU 78 N -2.28 0.00 -0.16 -0.67 -0.58 0.21 -3.05 120.64 114.11 1v8p n GLU 78 Ca 0.00 0.60 0.03 0.00 -0.42 0.00 0.00 57.16 57.37 1v8p n GLU 78 Cb 0.00 -1.41 0.06 0.00 -0.57 0.00 0.00 31.44 29.52 1v8p n GLU 78 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1v8p n VAL 79 N -2.08 -0.19 -0.24 2.62 0.31 -1.09 0.18 118.33 117.84 1v8p n VAL 79 Ca 0.00 1.03 0.02 0.00 -0.01 0.00 0.00 64.34 65.38 1v8p n VAL 79 Cb 0.00 -1.43 0.14 0.00 -0.91 0.00 0.00 33.84 31.64 1v8p n VAL 79 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1v8p h LEU 80 N 0.00 0.38 -0.15 7.52 6.46 -1.34 -1.13 115.31 127.04 1v8p h LEU 80 Ca 0.22 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1v8p h LEU 80 Cb 0.33 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1v8p h LEU 80 CO -0.46 0.21 0.08 -0.09 -0.62 0.00 0.00 178.44 177.56 1v8p h ARG 81 N 0.53 0.22 -0.88 1.25 2.43 0.18 -0.74 114.38 117.36 1v8p h ARG 81 Ca 0.35 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.59 1v8p h ARG 81 Cb 0.41 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.84 1v8p h ARG 81 CO -0.30 0.24 0.53 0.28 -1.51 0.00 0.00 179.97 179.21 1v8p h VAL 82 N 0.14 0.94 -0.29 0.20 2.07 -1.08 -1.33 116.25 116.89 1v8p h VAL 82 Ca 0.05 -0.30 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 1v8p h VAL 82 Cb 0.08 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1v8p h VAL 82 CO -0.01 0.16 -0.25 0.00 0.02 0.00 0.00 177.57 177.49 1v8p h ALA 83 N 1.47 0.43 -0.38 1.67 0.00 -0.82 -0.56 119.26 121.07 1v8p h ALA 83 Ca 0.42 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1v8p h ALA 83 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1v8p h ALA 83 CO -0.24 0.41 0.14 0.28 0.00 0.00 0.00 179.25 179.84 1v8p h VAL 84 N 0.43 1.20 -0.30 0.00 2.07 -0.79 -0.89 116.25 117.98 1v8p h VAL 84 Ca 0.05 -0.63 -0.12 0.00 0.82 0.00 0.00 66.70 66.82 1v8p h VAL 84 Cb 0.81 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1v8p h VAL 84 CO 0.06 0.22 -0.28 -0.33 0.02 0.00 0.00 177.57 177.27 1v8p h GLU 85 N 0.47 0.72 -0.62 1.57 5.08 -1.25 -3.22 114.58 117.33 1v8p h GLU 85 Ca 0.13 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1v8p h GLU 85 Cb 0.21 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1v8p h GLU 85 CO -0.01 0.99 0.00 0.54 -1.00 0.00 0.00 179.01 179.53 1v8p n ARG 86 N -4.26 2.88 -3.88 2.33 1.74 -0.22 -4.95 116.66 110.30 1v8p n ARG 86 Ca -0.04 -2.30 -0.29 0.00 -0.77 0.00 0.00 57.85 54.46 1v8p n ARG 86 Cb 0.47 -1.65 0.03 0.00 -1.02 0.00 0.00 32.46 30.29 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 1.22 -0.49 3.87 -0.13 0.00 -0.42 -4.99 105.19 104.24 1v8p n GLY 87 Ca 0.21 0.20 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 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 -7.27 3.06 0.61 0.99 1.43 -0.69 -5.05 118.68 111.77 1v8p s LEU 88 Ca 0.64 -1.00 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1v8p s LEU 88 Cb -0.32 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.33 1v8p s LEU 88 CO 0.82 -0.84 0.91 0.42 0.23 0.00 0.00 176.35 177.89 1v8p s THR 89 N -2.62 3.19 0.40 5.49 -4.23 -1.26 -4.60 115.64 112.01 1v8p s THR 89 Ca 0.42 -0.15 0.09 0.00 -1.18 0.00 0.00 61.69 60.87 1v8p s THR 89 Cb -0.02 -3.29 0.19 0.00 1.34 0.00 0.00 72.50 70.73 1v8p s THR 89 CO 0.25 -0.29 1.97 0.15 -0.54 0.00 0.00 174.62 176.16 1v8p h PHE 90 N -0.25 0.31 0.22 3.99 3.57 -1.94 -0.56 116.94 122.28 1v8p h PHE 90 Ca -0.45 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 1v8p h PHE 90 Cb 1.28 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1v8p h PHE 90 CO 0.42 0.34 -0.11 1.88 -2.23 0.00 0.00 178.31 178.61 1v8p h TYR 91 N 0.30 -0.28 -0.08 0.41 0.05 -1.98 -2.04 116.97 113.35 1v8p h TYR 91 Ca 0.07 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 1v8p h TYR 91 Cb 0.23 0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.06 1v8p h TYR 91 CO 0.00 0.08 0.05 -0.44 -1.05 0.00 0.00 178.16 176.81 1v8p h ASP 92 N -0.71 0.10 -0.97 3.88 3.45 -1.93 -2.37 116.42 117.87 1v8p h ASP 92 Ca -0.03 -0.04 0.17 0.00 0.43 0.00 0.00 57.03 57.56 1v8p h ASP 92 Cb 0.49 -0.03 -0.09 0.00 -0.56 0.00 0.00 39.33 39.15 1v8p h ASP 92 CO 0.05 0.12 0.61 0.00 -1.57 0.00 0.00 179.24 178.45 1v8p h ALA 93 N 0.99 1.79 -0.86 3.45 0.00 -1.16 0.15 119.26 123.61 1v8p h ALA 93 Ca 0.03 0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.15 1v8p h ALA 93 Cb 0.03 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 1v8p h ALA 93 CO -0.01 -0.10 0.56 0.77 0.00 0.00 0.00 179.25 180.48 1v8p h SER 94 N 0.72 0.52 0.55 0.00 0.02 -0.81 -0.20 113.55 114.35 1v8p h SER 94 Ca 0.52 0.04 -0.29 0.00 -0.84 0.00 0.00 61.79 61.22 1v8p h SER 94 Cb 0.86 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.35 1v8p h SER 94 CO -0.29 0.25 -1.31 1.88 -1.14 0.00 0.00 176.83 176.21 1v8p h TYR 95 N 0.54 0.58 -0.64 3.45 -1.99 -0.69 -2.89 116.97 115.33 1v8p h TYR 95 Ca 0.44 -0.43 -0.05 0.00 2.00 0.00 0.00 58.73 60.69 1v8p h TYR 95 Cb 0.88 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 39.56 1v8p h TYR 95 CO -0.00 1.34 0.20 0.00 -0.00 0.00 0.00 178.16 179.70 1v8p h ALA 96 N 0.49 1.14 0.20 3.88 0.00 -0.74 -2.75 119.26 121.48 1v8p h ALA 96 Ca -0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1v8p h ALA 96 Cb 2.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1v8p h ALA 96 CO 0.21 0.59 -0.10 -0.92 0.00 0.00 0.00 179.25 179.04 1v8p h TYR 97 N 0.94 -0.25 0.40 0.00 3.20 -1.13 -2.67 116.97 117.46 1v8p h TYR 97 Ca 0.21 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1v8p h TYR 97 Cb 0.27 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1v8p h TYR 97 CO 0.02 0.11 -0.41 0.28 -1.64 0.00 0.00 178.16 176.51 1v8p h VAL 98 N -0.66 0.17 -0.26 1.81 2.07 -1.52 0.79 116.25 118.65 1v8p h VAL 98 Ca -0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.56 1v8p h VAL 98 Cb 0.47 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 1v8p h VAL 98 CO 0.05 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.40 1v8p h ALA 99 N -0.48 -0.11 0.14 1.67 0.00 -1.60 0.25 119.26 119.12 1v8p h ALA 99 Ca -0.03 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1v8p h ALA 99 Cb 0.74 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1v8p h ALA 99 CO -0.07 -0.66 -0.07 0.93 0.00 0.00 0.00 179.25 179.38 1v8p h GLU 100 N -0.24 -0.18 0.00 0.00 5.08 -1.35 0.91 114.58 118.80 1v8p h GLU 100 Ca 0.14 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1v8p h GLU 100 Cb 0.46 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1v8p h GLU 100 CO -0.40 -0.12 0.37 0.66 -1.00 0.00 0.00 179.01 178.53 1v8p h SER 101 N -0.20 0.00 -0.31 1.42 4.64 -0.81 0.63 113.55 118.93 1v8p h SER 101 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1v8p h SER 101 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1v8p h SER 101 CO 0.03 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.79 1v8p n SER 102 N -2.32 2.88 -3.05 4.97 7.64 0.86 -4.98 113.62 119.61 1v8p n SER 102 Ca -0.01 -2.06 -0.21 0.00 1.01 0.00 0.00 58.87 57.60 1v8p n SER 102 Cb 0.40 -0.23 0.01 0.00 -1.01 0.00 0.00 64.21 63.39 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 0.35 -0.50 3.85 0.23 0.00 0.22 -4.97 105.19 104.37 1v8p n GLY 103 Ca 0.11 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 -6.43 3.84 -0.43 0.99 1.43 0.30 -5.00 118.68 113.37 1v8p s LEU 104 Ca 0.29 -0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 52.96 1v8p s LEU 104 Cb -0.14 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.71 1v8p s LEU 104 CO 0.35 -0.10 0.46 -0.69 0.23 0.00 0.00 176.35 176.60 1v8p s VAL 105 N -2.15 5.06 0.06 -1.59 1.01 -0.09 -4.30 120.40 118.40 1v8p s VAL 105 Ca 0.35 -0.32 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 1v8p s VAL 105 Cb -0.08 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 1v8p s VAL 105 CO 0.26 -0.46 1.65 -0.22 0.00 0.00 0.00 175.10 176.33 1v8p s LEU 106 N 2.21 4.36 -0.32 3.92 0.20 -1.26 -2.39 118.68 125.41 1v8p s LEU 106 Ca 0.13 2.47 -0.07 0.00 0.69 0.00 0.00 54.13 57.34 1v8p s LEU 106 Cb -0.17 -3.56 0.02 0.00 -0.43 0.00 0.00 46.19 42.05 1v8p s LEU 106 CO 0.14 -0.89 0.11 -0.69 -0.29 0.00 0.00 176.35 174.73 1v8p s VAL 107 N 2.73 4.04 -0.00 1.68 1.01 0.20 -1.33 120.40 128.74 1v8p s VAL 107 Ca 0.74 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 1v8p s VAL 107 Cb -0.39 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1v8p s VAL 107 CO 0.32 -0.03 0.04 0.28 0.00 0.00 0.00 175.10 175.72 1v8p s THR 108 N 1.49 0.06 -1.93 3.92 -1.32 -0.68 -2.33 115.64 114.86 1v8p s THR 108 Ca 0.02 -0.51 0.16 0.00 -1.21 0.00 0.00 61.69 60.15 1v8p s THR 108 Cb -0.18 -0.24 0.47 0.00 -1.51 0.00 0.00 72.50 71.04 1v8p s THR 108 CO 0.03 -0.28 1.38 1.67 -2.21 0.00 0.00 174.62 175.22 1v8p n GLN 109 N 2.13 2.28 -3.52 7.08 -0.06 -1.26 -4.11 117.38 119.92 1v8p n GLN 109 Ca -0.19 -1.89 -0.42 0.00 -2.00 0.00 0.00 57.00 52.50 1v8p n GLN 109 Cb 0.57 -1.43 -0.10 0.00 -4.06 0.00 0.00 30.24 25.21 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 -0.98 5.92 0.31 1.69 -1.08 -1.26 -4.98 116.67 116.30 1v8p s ASP 110 Ca 0.35 -1.05 0.08 0.00 -0.52 0.00 0.00 52.55 51.41 1v8p s ASP 110 Cb 0.19 -2.09 0.84 0.00 -1.46 0.00 0.00 42.92 40.39 1v8p s ASP 110 CO 0.23 -0.46 1.71 0.03 0.52 0.00 0.00 175.17 177.21 1v8p h ARG 111 N 8.55 0.49 -0.54 4.34 -0.00 -1.99 0.92 114.38 126.15 1v8p h ARG 111 Ca -0.26 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.98 59.17 1v8p h ARG 111 Cb 1.11 -0.11 -0.03 0.00 0.00 0.00 0.00 29.97 30.94 1v8p h ARG 111 CO 0.73 0.32 0.25 1.49 0.00 0.00 0.00 179.97 182.76 1v8p h GLU 112 N 0.50 0.77 0.15 0.04 4.57 -1.99 -2.33 114.58 116.29 1v8p h GLU 112 Ca 0.62 -0.10 -0.30 0.00 -1.18 0.00 0.00 59.36 58.40 1v8p h GLU 112 Cb 1.19 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 29.64 1v8p h GLU 112 CO -0.50 0.61 -1.39 -0.07 -1.18 0.00 0.00 179.01 176.48 1v8p h LEU 113 N 0.77 0.51 -1.29 1.64 3.38 -1.32 -2.93 115.31 116.06 1v8p h LEU 113 Ca 0.19 -0.58 0.11 0.00 0.09 0.00 0.00 57.88 57.69 1v8p h LEU 113 Cb 0.10 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1v8p h LEU 113 CO -0.02 1.47 0.55 -0.07 0.09 0.00 0.00 178.44 180.46 1v8p h LEU 114 N 0.09 0.69 0.00 1.67 3.38 -0.80 -2.14 115.31 118.19 1v8p h LEU 114 Ca -0.19 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1v8p h LEU 114 Cb 2.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 1v8p h LEU 114 CO 0.21 0.39 -0.65 0.00 0.09 0.00 0.00 178.44 178.47 1v8p h ALA 115 N 1.59 0.72 -0.44 1.53 0.00 -1.47 -3.37 119.26 117.82 1v8p h ALA 115 Ca 0.41 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1v8p h ALA 115 Cb 0.54 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1v8p h ALA 115 CO -0.17 0.37 0.00 1.63 0.00 0.00 0.00 179.25 181.07 1v8p n LYS 116 N -3.00 2.58 -3.85 0.00 5.02 -0.85 -4.86 118.16 113.19 1v8p n LYS 116 Ca -0.00 -2.19 -0.29 0.00 -2.02 0.00 0.00 58.31 53.81 1v8p n LYS 116 Cb 0.66 -1.39 -0.16 0.00 -0.02 0.00 0.00 35.03 34.12 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 -1.06 1.13 -0.18 -0.18 2.01 -0.92 -5.06 115.64 111.38 1v8p s THR 117 Ca 0.32 -1.06 -0.42 0.00 0.31 0.00 0.00 61.69 60.84 1v8p s THR 117 Cb 0.17 -1.55 -0.20 0.00 0.01 0.00 0.00 72.50 70.93 1v8p s THR 117 CO 0.23 -0.23 1.28 0.29 -0.69 0.00 0.00 174.62 175.50 1v8p n LYS 118 N 4.81 0.04 -1.13 4.92 5.02 -1.26 -0.61 118.16 129.95 1v8p n LYS 118 Ca -0.09 0.02 -0.05 0.00 -2.02 0.00 0.00 58.31 56.17 1v8p n LYS 118 Cb 0.45 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.92 1v8p n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1v8p n GLY 119 N 2.46 0.59 3.77 0.72 0.00 -1.26 -4.79 105.19 106.67 1v8p n GLY 119 Ca 0.24 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1v8p n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v8p s ALA 120 N -1.72 3.33 0.21 4.61 0.00 0.22 -4.52 121.76 123.89 1v8p s ALA 120 Ca 0.00 0.96 0.04 0.00 0.00 0.00 0.00 51.96 52.96 1v8p s ALA 120 Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1v8p s ALA 120 CO 0.00 -0.34 -0.04 0.96 0.00 0.00 0.00 175.76 176.34 1v8p s ILE 121 N -1.27 1.14 0.46 0.00 -4.36 -0.44 -4.90 121.20 111.83 1v8p s ILE 121 Ca 0.50 -2.06 0.02 0.00 -0.26 0.00 0.00 60.65 58.85 1v8p s ILE 121 Cb -0.32 -2.20 0.09 0.00 1.25 0.00 0.00 42.46 41.28 1v8p s ILE 121 CO 0.41 -0.45 0.64 -0.90 0.24 0.00 0.00 174.94 174.88 1v8p n ASP 122 N -0.37 1.11 0.16 4.36 5.68 -1.26 -1.68 116.55 124.55 1v8p n ASP 122 Ca -0.07 -1.88 -0.14 0.00 -0.50 0.00 0.00 54.79 52.21 1v8p n ASP 122 Cb 0.63 -0.39 -0.07 0.00 -1.14 0.00 0.00 41.12 40.15 1v8p n ASP 122 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1v8p h VAL 123 N -0.32 0.61 -0.21 2.12 2.07 -1.94 -1.38 116.25 117.20 1v8p h VAL 123 Ca -0.21 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.35 1v8p h VAL 123 Cb 0.84 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1v8p h VAL 123 CO 0.25 0.00 -0.08 -0.08 0.02 0.00 0.00 177.57 177.69 1v8p h GLU 124 N -0.42 -0.03 -0.43 1.57 4.81 -1.97 -0.18 114.58 117.93 1v8p h GLU 124 Ca -0.01 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1v8p h GLU 124 Cb 0.37 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.68 1v8p h GLU 124 CO -0.01 -0.02 -0.08 1.15 -0.73 0.00 0.00 179.01 179.32 1v8p h THR 125 N -0.04 0.60 -0.48 0.32 2.02 -1.91 -0.30 112.91 113.12 1v8p h THR 125 Ca 0.11 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 1v8p h THR 125 Cb 0.20 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1v8p h THR 125 CO -0.24 0.00 0.27 0.25 0.37 0.00 0.00 175.52 176.18 1v8p h LEU 126 N 0.02 0.58 -0.63 2.58 5.85 -0.49 -2.69 115.31 120.52 1v8p h LEU 126 Ca 0.21 -0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.75 1v8p h LEU 126 Cb 0.31 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1v8p h LEU 126 CO -0.42 0.46 -0.67 -0.07 -0.34 0.00 0.00 178.44 177.40 1v8p h LEU 127 N 0.66 0.08 -0.27 2.25 3.38 0.55 -2.61 115.31 119.35 1v8p h LEU 127 Ca 0.17 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1v8p h LEU 127 Cb 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1v8p h LEU 127 CO -0.03 0.73 -0.19 -0.37 0.09 0.00 0.00 178.44 178.67 1v8p h VAL 128 N 0.05 1.30 0.61 1.22 -1.51 -0.84 -2.73 116.25 114.35 1v8p h VAL 128 Ca -0.01 -1.32 -0.02 0.00 -1.23 0.00 0.00 66.70 64.12 1v8p h VAL 128 Cb 1.19 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 31.90 1v8p h VAL 128 CO 0.09 0.42 -0.49 0.03 -1.23 0.00 0.00 177.57 176.39 1v8p h ARG 129 N 0.34 -1.02 -0.96 5.19 3.08 -1.47 -1.50 114.38 118.05 1v8p h ARG 129 Ca 0.05 0.07 0.27 0.00 0.07 0.00 0.00 59.98 60.45 1v8p h ARG 129 Cb 0.73 0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.96 1v8p h ARG 129 CO 0.05 -0.68 0.68 -0.07 -1.07 0.00 0.00 179.97 178.88 1v8p h LEU 130 N -1.06 0.04 -0.73 3.04 3.38 -1.53 0.42 115.31 118.88 1v8p h LEU 130 Ca -0.08 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1v8p h LEU 130 Cb 0.89 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1v8p h LEU 130 CO 0.01 0.01 0.25 0.00 0.09 0.00 0.00 178.44 178.80 1v8p h ALA 131 N 1.53 0.96 0.43 1.53 0.00 -0.96 -3.10 119.26 119.65 1v8p h ALA 131 Ca 0.46 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1v8p h ALA 131 Cb 1.77 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1v8p h ALA 131 CO -0.03 0.62 -0.21 0.00 0.00 0.00 0.00 179.25 179.64 1v8p h ALA 132 N 1.12 -0.58 0.00 0.00 0.00 0.40 -3.52 119.26 116.68 1v8p h ALA 132 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1v8p h ALA 132 Cb 0.28 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1v8p h ALA 132 CO -0.01 -0.71 0.00 1.04 0.00 0.00 0.00 179.25 179.57