#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dlv s ARG 3 N 0.00 3.73 0.28 1.61 3.52 -1.26 -0.84 118.95 125.99 3dlv s ARG 3 Ca 0.00 -0.34 -0.18 0.00 -0.13 0.00 0.00 55.73 55.08 3dlv s ARG 3 Cb 0.00 -3.12 0.02 0.00 -1.56 0.00 0.00 34.95 30.28 3dlv s ARG 3 CO 0.00 0.40 0.65 -0.59 -0.81 0.00 0.00 175.30 174.96 3dlv s PHE 4 N -0.01 0.02 -0.06 5.12 -0.71 -0.75 -5.02 117.98 116.57 3dlv s PHE 4 Ca 0.06 -0.47 -0.03 0.00 -1.04 0.00 0.00 56.93 55.44 3dlv s PHE 4 Cb -0.12 0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 42.20 3dlv s PHE 4 CO 0.01 -1.20 0.10 0.08 -1.34 0.00 0.00 175.22 172.88 3dlv s VAL 5 N -3.79 5.03 -0.17 -2.49 1.01 -1.26 -1.42 120.40 117.31 3dlv s VAL 5 Ca 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 3dlv s VAL 5 Cb -0.04 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 3dlv s VAL 5 CO 0.08 0.49 -0.06 -0.69 0.00 0.00 0.00 175.10 174.93 3dlv s VAL 6 N -1.10 3.55 -0.18 2.92 1.01 0.17 -4.97 120.40 121.81 3dlv s VAL 6 Ca 0.19 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 3dlv s VAL 6 Cb -0.12 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.70 3dlv s VAL 6 CO 0.09 0.48 -0.13 0.86 0.00 0.00 0.00 175.10 176.40 3dlv s TRP 7 N 0.70 2.84 0.43 5.22 -0.00 -1.26 -1.17 118.94 125.70 3dlv s TRP 7 Ca -0.03 -1.11 0.22 0.00 -0.00 0.00 0.00 56.10 55.17 3dlv s TRP 7 Cb -0.15 -1.96 1.18 0.00 -0.00 0.00 0.00 33.47 32.55 3dlv s TRP 7 CO 0.02 -0.55 1.81 -1.35 -0.00 0.00 0.00 176.95 176.88 3dlv h PRO 8 N 7.65 0.31 -0.07 5.86 0.11 -1.89 0.93 132.00 144.89 3dlv h PRO 8 Ca -0.38 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.73 3dlv h PRO 8 Cb 1.17 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3dlv h PRO 8 CO 0.60 0.20 0.05 0.77 -0.21 0.00 0.00 178.00 179.41 3dlv h SER 9 N 0.32 0.00 -0.12 -2.05 0.02 -1.91 -2.51 113.55 107.29 3dlv h SER 9 Ca 0.54 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.53 3dlv h SER 9 Cb 1.52 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.05 3dlv h SER 9 CO -0.20 0.00 0.12 -0.33 -1.14 0.00 0.00 176.83 175.28 3dlv h GLU 10 N 0.00 0.00 0.00 3.45 5.08 -0.92 -2.67 114.58 119.52 3dlv h GLU 10 Ca 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3dlv h GLU 10 Cb 0.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3dlv h GLU 10 CO -0.00 0.00 -0.38 1.47 -1.00 0.00 0.00 179.01 179.10 3dlv n LEU 11 N -3.98 2.17 -4.53 1.33 -0.00 -0.95 -0.44 117.00 110.60 3dlv n LEU 11 Ca 0.00 -3.17 -0.41 0.00 -0.00 0.00 0.00 56.01 52.43 3dlv n LEU 11 Cb 0.23 -0.39 -0.09 0.00 -0.00 0.00 0.00 43.42 43.16 3dlv n LEU 11 CO 0.29 0.97 0.02 -0.62 -0.00 0.00 0.00 177.39 178.05 3dlv s ASP 12 N -2.79 6.17 0.17 1.45 -1.08 -1.01 -1.94 116.67 117.64 3dlv s ASP 12 Ca 0.32 -0.31 0.21 0.00 -0.52 0.00 0.00 52.55 52.25 3dlv s ASP 12 Cb 0.31 -2.19 0.86 0.00 -1.46 0.00 0.00 42.92 40.44 3dlv s ASP 12 CO -0.04 -0.36 1.64 -1.54 0.52 0.00 0.00 175.17 175.39 3dlv n SER 13 N 5.37 0.45 0.24 -0.34 3.41 -0.05 -1.87 113.62 120.83 3dlv n SER 13 Ca -0.09 0.60 0.15 0.00 -0.26 0.00 0.00 58.87 59.27 3dlv n SER 13 Cb 0.49 -0.70 0.47 0.00 -0.26 0.00 0.00 64.21 64.21 3dlv n SER 13 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3dlv h ARG 14 N 0.00 0.00 -6.12 4.33 3.08 -1.93 -3.46 114.38 110.28 3dlv h ARG 14 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 3dlv h ARG 14 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3dlv h ARG 14 CO 0.00 0.00 -0.44 -0.51 -1.07 0.00 0.00 179.97 177.95 3dlv s LEU 15 N -6.00 4.32 0.65 3.04 1.43 -0.78 -5.12 118.68 116.22 3dlv s LEU 15 Ca 0.04 0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 3dlv s LEU 15 Cb 0.08 -2.92 0.02 0.00 0.03 0.00 0.00 46.19 43.40 3dlv s LEU 15 CO 0.58 -0.01 0.98 -0.94 0.23 0.00 0.00 176.35 177.19 3dlv s SER 16 N -3.53 5.39 0.23 2.29 1.04 -1.26 -4.76 113.70 113.09 3dlv s SER 16 Ca 0.35 0.78 -0.04 0.00 0.48 0.00 0.00 55.95 57.51 3dlv s SER 16 Cb -0.10 -1.65 0.22 0.00 0.10 0.00 0.00 66.02 64.59 3dlv s SER 16 CO 0.29 -1.25 1.69 0.03 0.98 0.00 0.00 173.24 174.97 3dlv h ARG 17 N -0.40 0.86 0.00 4.02 3.08 -1.94 -2.59 114.38 117.41 3dlv h ARG 17 Ca -0.45 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.32 3dlv h ARG 17 Cb 1.27 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 3dlv h ARG 17 CO 0.62 0.90 -0.01 -0.22 -1.07 0.00 0.00 179.97 180.19 3dlv h LYS 18 N 0.78 0.00 -0.11 0.04 3.64 -1.94 -1.32 116.57 117.66 3dlv h LYS 18 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3dlv h LYS 18 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3dlv h LYS 18 CO 0.04 0.01 0.00 0.98 -2.27 0.00 0.00 179.45 178.21 3dlv n TYR 19 N -4.51 0.12 0.00 1.91 9.36 -1.03 -4.93 117.16 118.09 3dlv n TYR 19 Ca -0.03 -0.06 0.00 0.00 3.32 0.00 0.00 57.90 61.13 3dlv n TYR 19 Cb 0.10 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.81 3dlv n TYR 19 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3dlv n GLY 20 N 1.29 1.19 3.72 2.98 0.00 -0.50 -4.91 105.19 108.95 3dlv n GLY 20 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3dlv n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dlv s ARG 21 N 0.00 4.24 -0.19 1.61 3.52 -1.00 -3.90 118.95 123.23 3dlv s ARG 21 Ca 0.00 2.31 0.04 0.00 -0.13 0.00 0.00 55.73 57.95 3dlv s ARG 21 Cb 0.00 -3.16 -0.14 0.00 -1.56 0.00 0.00 34.95 30.09 3dlv s ARG 21 CO 0.00 -0.56 -0.13 -0.89 -0.81 0.00 0.00 175.30 172.90 3dlv n ILE 22 N 3.79 1.10 -2.50 4.11 5.41 0.42 -4.37 119.36 127.32 3dlv n ILE 22 Ca 0.13 -0.46 -0.40 0.00 1.00 0.00 0.00 62.75 63.01 3dlv n ILE 22 Cb 0.39 -1.09 -0.04 0.00 -0.71 0.00 0.00 39.64 38.19 3dlv n ILE 22 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3dlv s VAL 23 N -2.39 3.59 0.40 1.39 1.01 -0.88 -4.97 120.40 118.56 3dlv s VAL 23 Ca -0.23 1.56 -0.24 0.00 0.00 0.00 0.00 61.98 63.06 3dlv s VAL 23 Cb 0.06 -3.99 -0.12 0.00 0.00 0.00 0.00 36.38 32.34 3dlv s VAL 23 CO 0.48 0.35 0.91 -2.65 0.00 0.00 0.00 175.10 174.19 3dlv n PRO 24 N 1.44 1.16 -0.34 2.72 -0.02 -1.26 -4.63 135.00 134.07 3dlv n PRO 24 Ca -0.00 0.42 0.11 0.00 -2.02 0.00 0.00 63.50 62.00 3dlv n PRO 24 Cb 0.45 -1.89 0.29 0.00 -0.02 0.00 0.00 33.50 32.33 3dlv n PRO 24 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3dlv h ARG 25 N 1.44 0.72 0.00 -0.52 0.11 -1.95 -1.04 114.38 113.14 3dlv h ARG 25 Ca -0.43 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.61 3dlv h ARG 25 Cb 1.35 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.27 3dlv h ARG 25 CO 0.56 0.48 0.00 0.66 0.10 0.00 0.00 179.97 181.77 3dlv h SER 26 N 0.74 0.00 0.22 0.08 4.64 -1.99 -3.13 113.55 114.10 3dlv h SER 26 Ca 0.54 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.52 3dlv h SER 26 Cb 0.80 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.83 3dlv h SER 26 CO -0.37 0.00 -2.06 -0.38 -0.87 0.00 0.00 176.83 173.15 3dlv n ILE 27 N -2.87 1.56 -1.47 0.95 5.41 -0.48 -4.97 119.36 117.49 3dlv n ILE 27 Ca 0.03 -0.76 -0.36 0.00 1.00 0.00 0.00 62.75 62.66 3dlv n ILE 27 Cb 0.39 -1.04 0.09 0.00 -0.71 0.00 0.00 39.64 38.38 3dlv n ILE 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dlv n ALA 28 N -2.78 0.51 -2.55 -1.39 0.00 -0.70 -4.52 120.51 109.08 3dlv n ALA 28 Ca -0.28 -0.13 -0.27 0.00 0.00 0.00 0.00 53.44 52.76 3dlv n ALA 28 Cb 1.08 -2.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.17 3dlv n ALA 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3dlv s VAL 29 N -1.69 3.09 0.03 0.00 -7.23 -0.82 -4.56 120.40 109.22 3dlv s VAL 29 Ca 0.78 -1.67 -0.30 0.00 -1.81 0.00 0.00 61.98 58.98 3dlv s VAL 29 Cb -0.35 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 3dlv s VAL 29 CO 0.45 -0.08 1.22 -0.70 -0.31 0.00 0.00 175.10 175.68 3dlv s GLU 30 N -2.73 4.40 -1.00 4.82 2.12 -1.26 -0.87 118.70 124.17 3dlv s GLU 30 Ca 0.24 1.76 -0.14 0.00 0.36 0.00 0.00 54.97 57.19 3dlv s GLU 30 Cb -0.09 -3.41 0.01 0.00 0.26 0.00 0.00 34.13 30.89 3dlv s GLU 30 CO 0.14 -0.33 0.71 0.43 -0.54 0.00 0.00 175.26 175.67 3dlv n SER 31 N 4.35 -5.33 -4.70 -1.70 7.64 -1.26 -4.88 113.62 107.73 3dlv n SER 31 Ca 0.10 -0.92 -0.42 0.00 1.01 0.00 0.00 58.87 58.63 3dlv n SER 31 Cb 0.46 -2.83 -0.03 0.00 -1.01 0.00 0.00 64.21 60.80 3dlv n SER 31 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3dlv s PRO 32 N -5.52 4.23 0.27 1.43 0.02 -1.26 -4.99 135.00 129.17 3dlv s PRO 32 Ca 0.27 2.27 -0.09 0.00 0.02 0.00 0.00 61.00 63.47 3dlv s PRO 32 Cb -0.12 -3.41 -0.07 0.00 0.02 0.00 0.00 34.50 30.92 3dlv s PRO 32 CO 0.88 -0.64 0.59 1.03 -0.33 0.00 0.00 177.00 178.52 3dlv s ARG 33 N 1.95 3.78 0.23 5.54 0.52 -1.26 -4.86 118.95 124.85 3dlv s ARG 33 Ca 0.71 0.27 -0.07 0.00 -0.52 0.00 0.00 55.73 56.12 3dlv s ARG 33 Cb -0.40 -2.60 0.36 0.00 0.52 0.00 0.00 34.95 32.83 3dlv s ARG 33 CO 0.31 0.24 1.76 0.28 0.02 0.00 0.00 175.30 177.91 3dlv h VAL 34 N 1.77 0.78 -0.17 3.52 2.07 -1.98 -1.21 116.25 121.03 3dlv h VAL 34 Ca -0.47 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 3dlv h VAL 34 Cb 1.18 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3dlv h VAL 34 CO 0.68 0.10 -0.13 -0.33 0.02 0.00 0.00 177.57 177.90 3dlv h GLU 35 N 0.52 0.28 -0.36 1.57 3.07 -1.99 -1.04 114.58 116.62 3dlv h GLU 35 Ca 0.36 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 59.03 3dlv h GLU 35 Cb 0.44 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 3dlv h GLU 35 CO -0.31 0.42 -0.26 0.93 -1.40 0.00 0.00 179.01 178.39 3dlv h GLU 36 N 0.26 0.81 -0.57 2.33 5.08 -1.65 -1.96 114.58 118.89 3dlv h GLU 36 Ca 0.05 -0.39 -0.07 0.00 -1.00 0.00 0.00 59.36 57.95 3dlv h GLU 36 Cb 0.40 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3dlv h GLU 36 CO 0.02 1.03 0.09 0.82 -1.00 0.00 0.00 179.01 179.97 3dlv h ILE 37 N 0.60 1.26 -0.15 3.13 2.04 -0.82 -0.37 117.51 123.19 3dlv h ILE 37 Ca 0.07 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 3dlv h ILE 37 Cb 0.83 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3dlv h ILE 37 CO 0.07 0.35 0.09 0.58 0.00 0.00 0.00 178.15 179.24 3dlv h VAL 38 N 0.83 1.09 -0.73 1.67 2.07 -1.18 0.27 116.25 120.29 3dlv h VAL 38 Ca 0.17 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 3dlv h VAL 38 Cb 0.41 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3dlv h VAL 38 CO 0.01 0.09 0.25 0.03 0.02 0.00 0.00 177.57 177.97 3dlv h ARG 39 N 0.15 1.11 -0.27 1.57 3.08 -1.20 -0.34 114.38 118.48 3dlv h ARG 39 Ca 0.05 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3dlv h ARG 39 Cb 0.07 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3dlv h ARG 39 CO -0.01 0.94 0.15 0.00 -1.07 0.00 0.00 179.97 179.97 3dlv h ALA 40 N 1.12 0.35 -0.74 0.04 0.00 -0.89 -0.38 119.26 118.76 3dlv h ALA 40 Ca 0.24 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3dlv h ALA 40 Cb 0.27 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3dlv h ALA 40 CO -0.01 -0.11 0.47 0.00 0.00 0.00 0.00 179.25 179.59 3dlv h ALA 41 N 1.02 0.97 -0.67 0.00 0.00 -0.61 -0.93 119.26 119.05 3dlv h ALA 41 Ca 0.10 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3dlv h ALA 41 Cb 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3dlv h ALA 41 CO -0.01 0.27 0.16 0.93 0.00 0.00 0.00 179.25 180.59 3dlv h GLU 42 N 0.92 1.07 -0.12 0.00 5.08 -0.78 -0.37 114.58 120.39 3dlv h GLU 42 Ca 0.30 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3dlv h GLU 42 Cb 0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3dlv h GLU 42 CO -0.11 0.96 -0.26 1.49 -1.00 0.00 0.00 179.01 180.08 3dlv h GLU 43 N 1.00 0.21 -0.02 2.33 4.81 -0.41 -1.47 114.58 121.04 3dlv h GLU 43 Ca 0.21 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3dlv h GLU 43 Cb 0.37 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3dlv h GLU 43 CO 0.00 0.46 0.00 1.28 -0.73 0.00 0.00 179.01 180.03 3dlv n LEU 44 N -4.16 0.42 -1.18 1.64 4.77 -0.41 -4.90 117.00 113.17 3dlv n LEU 44 Ca -0.01 -0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 55.69 3dlv n LEU 44 Cb 0.36 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 3dlv n LEU 44 CO 0.39 0.08 -0.14 0.29 -1.33 0.00 0.00 177.39 176.68 3dlv n LYS 45 N -0.62 -0.94 -2.16 3.23 4.76 -0.55 -5.01 118.16 116.88 3dlv n LYS 45 Ca 0.20 0.80 -0.33 0.00 -2.87 0.00 0.00 58.31 56.11 3dlv n LYS 45 Cb 0.16 -4.91 0.00 0.00 -1.84 0.00 0.00 35.03 28.44 3dlv n LYS 45 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3dlv s PHE 46 N -2.54 3.01 -0.24 2.13 0.08 -0.21 -4.96 117.98 115.24 3dlv s PHE 46 Ca 0.00 1.52 -0.19 0.00 0.12 0.00 0.00 56.93 58.38 3dlv s PHE 46 Cb 0.00 -3.01 -0.03 0.00 -0.57 0.00 0.00 43.02 39.41 3dlv s PHE 46 CO 0.00 -1.04 0.56 0.21 -0.10 0.00 0.00 175.22 174.86 3dlv s LYS 47 N -3.91 4.12 -0.32 0.44 2.20 -0.32 -4.49 119.74 117.45 3dlv s LYS 47 Ca 0.64 0.44 -0.23 0.00 -0.36 0.00 0.00 55.97 56.47 3dlv s LYS 47 Cb -0.16 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 3dlv s LYS 47 CO 0.33 -0.33 0.74 0.08 -0.36 0.00 0.00 175.35 175.82 3dlv s VAL 48 N 2.22 4.82 -0.18 4.02 1.01 -1.26 -0.53 120.40 130.49 3dlv s VAL 48 Ca 0.24 1.02 -0.24 0.00 0.00 0.00 0.00 61.98 63.00 3dlv s VAL 48 Cb -0.16 -4.12 -0.22 0.00 0.00 0.00 0.00 36.38 31.88 3dlv s VAL 48 CO 0.09 -0.27 0.41 0.40 0.00 0.00 0.00 175.10 175.73 3dlv h ILE 49 N 5.62 1.21 -2.58 2.22 1.08 -0.68 -3.49 117.51 120.89 3dlv h ILE 49 Ca -0.25 -2.24 -0.10 0.00 -0.39 0.00 0.00 64.86 61.88 3dlv h ILE 49 Cb 1.10 2.63 -0.22 0.00 -3.07 0.00 0.00 36.82 37.26 3dlv h ILE 49 CO 0.87 0.43 -0.13 -0.60 -0.69 0.00 0.00 178.15 178.03 3dlv s ARG 50 N -2.32 0.65 -0.07 2.37 3.52 -1.07 -4.98 118.95 117.06 3dlv s ARG 50 Ca -0.25 0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.83 3dlv s ARG 50 Cb 0.03 0.31 0.01 0.00 -1.56 0.00 0.00 34.95 33.74 3dlv s ARG 50 CO 0.63 -0.12 -0.15 0.08 -0.81 0.00 0.00 175.30 174.93 3dlv s VAL 51 N -0.24 1.36 -0.08 7.11 1.01 -1.26 -0.05 120.40 128.25 3dlv s VAL 51 Ca -0.04 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.36 3dlv s VAL 51 Cb -0.03 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.14 3dlv s VAL 51 CO 0.03 0.40 -0.19 -1.61 0.00 0.00 0.00 175.10 173.72 3dlv s GLU 52 N 0.53 2.43 -0.05 2.72 0.41 0.25 -5.00 118.70 119.99 3dlv s GLU 52 Ca -0.14 -0.70 -0.02 0.00 -0.41 0.00 0.00 54.97 53.70 3dlv s GLU 52 Cb -0.16 -1.91 0.03 0.00 -1.78 0.00 0.00 34.13 30.31 3dlv s GLU 52 CO 0.05 0.15 0.08 -2.00 -0.49 0.00 0.00 175.26 173.05 3dlv s GLU 53 N 0.37 -0.03 -0.13 1.61 2.12 -1.26 -0.98 118.70 120.40 3dlv s GLU 53 Ca -0.15 0.36 0.01 0.00 0.36 0.00 0.00 54.97 55.55 3dlv s GLU 53 Cb -0.16 -0.37 0.02 0.00 0.26 0.00 0.00 34.13 33.88 3dlv s GLU 53 CO 0.06 -0.27 -0.13 0.34 -0.54 0.00 0.00 175.26 174.72 3dlv s ASP 54 N 1.81 2.48 -0.17 -1.70 2.15 0.43 -5.00 116.67 116.68 3dlv s ASP 54 Ca -0.00 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 52.55 3dlv s ASP 54 Cb -0.12 -1.07 0.00 0.00 -0.30 0.00 0.00 42.92 41.43 3dlv s ASP 54 CO -0.04 -0.05 -0.16 -0.54 -0.17 0.00 0.00 175.17 174.22 3dlv s LYS 55 N 1.39 3.16 -0.09 4.34 1.02 -1.26 -0.74 119.74 127.56 3dlv s LYS 55 Ca 0.02 -0.76 0.04 0.00 0.02 0.00 0.00 55.97 55.28 3dlv s LYS 55 Cb -0.13 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 3dlv s LYS 55 CO -0.07 -0.09 -0.22 -1.17 -0.92 0.00 0.00 175.35 172.88 3dlv s LEU 56 N 1.06 2.00 -0.44 3.17 0.20 -0.33 -5.04 118.68 119.29 3dlv s LEU 56 Ca -0.01 -0.50 -0.28 0.00 0.69 0.00 0.00 54.13 54.04 3dlv s LEU 56 Cb -0.14 -1.28 -0.08 0.00 -0.43 0.00 0.00 46.19 44.26 3dlv s LEU 56 CO -0.05 0.14 2.37 -0.46 -0.29 0.00 0.00 176.35 178.07 3dlv n ASN 57 N 3.50 2.40 0.00 3.68 6.94 -1.26 -4.70 115.26 125.82 3dlv n ASN 57 Ca -0.20 -0.21 0.00 0.00 -0.02 0.00 0.00 54.58 54.15 3dlv n ASN 57 Cb 0.53 -1.51 0.00 0.00 -2.36 0.00 0.00 39.78 36.44 3dlv n ASN 57 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 3dlv n PRO 58 N 8.85 0.00 -0.00 -0.53 -0.02 -1.26 -5.12 135.00 136.91 3dlv n PRO 58 Ca 0.38 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.84 3dlv n PRO 58 Cb 0.46 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.94 3dlv n PRO 58 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3dlv n GLU 65 N 0.00 0.10 0.00 -0.52 -0.58 -1.26 -4.42 120.64 113.95 3dlv n GLU 65 Ca 0.00 0.04 0.03 0.00 -0.42 0.00 0.00 57.16 56.81 3dlv n GLU 65 Cb 0.00 -0.51 0.14 0.00 -0.57 0.00 0.00 31.44 30.50 3dlv n GLU 65 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 3dlv n GLU 66 N -3.17 0.02 -0.54 3.49 0.28 -1.26 -1.25 120.64 118.22 3dlv n GLU 66 Ca -0.03 0.35 0.10 0.00 -0.16 0.00 0.00 57.16 57.43 3dlv n GLU 66 Cb 0.09 -1.50 0.35 0.00 1.43 0.00 0.00 31.44 31.81 3dlv n GLU 66 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3dlv n LEU 67 N -1.45 4.52 0.08 -1.84 4.77 -1.26 -4.39 117.00 117.44 3dlv n LEU 67 Ca 0.02 -2.29 0.01 0.00 -0.03 0.00 0.00 56.01 53.71 3dlv n LEU 67 Cb 0.07 -0.55 0.34 0.00 -2.33 0.00 0.00 43.42 40.94 3dlv n LEU 67 CO 0.06 0.88 0.86 0.03 -1.33 0.00 0.00 177.39 177.88 3dlv h ARG 68 N 4.20 0.31 -5.64 3.23 -0.00 -1.39 -3.43 114.38 111.67 3dlv h ARG 68 Ca 0.00 -0.08 -0.58 0.00 -0.50 0.00 0.00 59.98 58.81 3dlv h ARG 68 Cb 1.30 -0.04 -0.30 0.00 0.00 0.00 0.00 29.97 30.93 3dlv h ARG 68 CO 0.15 0.46 -0.85 0.99 0.00 0.00 0.00 179.97 180.73 3dlv s THR 69 N -4.69 1.54 -0.03 2.04 2.01 -1.26 -1.19 115.64 114.06 3dlv s THR 69 Ca -0.06 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.16 3dlv s THR 69 Cb 0.15 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.37 3dlv s THR 69 CO 0.75 0.44 -0.10 0.12 -0.69 0.00 0.00 174.62 175.14 3dlv s PHE 70 N -0.21 1.05 -0.16 4.92 5.36 0.08 -5.00 117.98 124.02 3dlv s PHE 70 Ca 0.01 -0.28 -0.13 0.00 -0.96 0.00 0.00 56.93 55.57 3dlv s PHE 70 Cb -0.10 -0.76 0.04 0.00 -0.34 0.00 0.00 43.02 41.87 3dlv s PHE 70 CO 0.01 -0.13 0.41 0.20 -1.46 0.00 0.00 175.22 174.25 3dlv s GLY 71 N 0.30 -0.31 -0.07 13.12 0.00 -1.26 -0.42 107.32 118.67 3dlv s GLY 71 Ca -0.05 1.23 -0.09 0.00 0.00 0.00 0.00 44.72 45.81 3dlv s GLY 71 CO 0.01 1.13 0.24 1.06 0.00 0.00 0.00 173.10 175.53 3dlv s MET 72 N 0.43 0.36 -0.11 2.90 -1.94 -0.16 -4.34 119.30 116.45 3dlv s MET 72 Ca -0.02 0.17 0.01 0.00 -1.71 0.00 0.00 55.69 54.14 3dlv s MET 72 Cb -0.04 0.17 0.02 0.00 2.01 0.00 0.00 34.83 36.99 3dlv s MET 72 CO -0.02 -0.06 -0.12 0.42 -0.01 0.00 0.00 175.02 175.22 3dlv s ILE 73 N -0.27 1.32 -0.22 2.53 1.09 -0.31 -0.58 121.20 124.75 3dlv s ILE 73 Ca -0.04 -0.51 -0.17 0.00 -1.10 0.00 0.00 60.65 58.83 3dlv s ILE 73 Cb -0.03 -1.25 -0.03 0.00 -1.06 0.00 0.00 42.46 40.09 3dlv s ILE 73 CO 0.01 0.41 0.46 -0.69 -0.10 0.00 0.00 174.94 175.03 3dlv s VAL 74 N 1.23 5.14 0.16 2.92 1.01 0.93 0.44 120.40 132.23 3dlv s VAL 74 Ca -0.02 0.81 0.09 0.00 0.00 0.00 0.00 61.98 62.85 3dlv s VAL 74 Cb -0.14 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3dlv s VAL 74 CO -0.04 0.18 -0.18 -0.76 0.00 0.00 0.00 175.10 174.29 3dlv s LEU 75 N 1.74 2.44 -0.15 3.92 1.43 -0.51 0.11 118.68 127.65 3dlv s LEU 75 Ca 0.21 -0.86 0.01 0.00 -1.03 0.00 0.00 54.13 52.46 3dlv s LEU 75 Cb -0.15 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.24 3dlv s LEU 75 CO 0.09 -0.03 -0.18 -1.61 0.23 0.00 0.00 176.35 174.85 3dlv s GLU 76 N -2.78 3.12 0.09 1.70 2.02 0.31 -1.82 118.70 121.34 3dlv s GLU 76 Ca 0.16 -0.80 0.07 0.00 0.02 0.00 0.00 54.97 54.42 3dlv s GLU 76 Cb -0.06 -2.55 -0.03 0.00 0.10 0.00 0.00 34.13 31.59 3dlv s GLU 76 CO 0.07 -0.02 -0.18 0.45 0.02 0.00 0.00 175.26 175.60 3dlv s SER 77 N 0.86 2.20 0.29 -0.19 0.15 -0.02 -1.18 113.70 115.81 3dlv s SER 77 Ca -0.05 -0.64 0.24 0.00 0.70 0.00 0.00 55.95 56.19 3dlv s SER 77 Cb -0.15 -0.11 1.06 0.00 -1.71 0.00 0.00 66.02 65.10 3dlv s SER 77 CO -0.02 0.02 1.72 -2.65 1.20 0.00 0.00 173.24 173.51 3dlv n PRO 78 N 1.23 0.20 -4.13 5.44 -0.02 -1.26 -0.07 135.00 136.39 3dlv n PRO 78 Ca -0.20 0.48 -0.23 0.00 -2.02 0.00 0.00 63.50 61.53 3dlv n PRO 78 Cb 0.54 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 3dlv n PRO 78 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3dlv s TYR 79 N -3.39 2.70 1.06 6.00 2.02 -1.26 -4.67 117.35 119.81 3dlv s TYR 79 Ca 0.03 -0.37 -0.12 0.00 -0.37 0.00 0.00 57.07 56.23 3dlv s TYR 79 Cb 0.09 -1.60 0.22 0.00 -0.40 0.00 0.00 41.96 40.27 3dlv s TYR 79 CO 0.36 0.36 1.07 0.20 -1.57 0.00 0.00 175.55 175.97 3dlv s GLY 80 N -3.83 1.58 0.12 0.71 0.00 -1.26 -3.54 107.32 101.10 3dlv s GLY 80 Ca 0.37 -0.01 -0.15 0.00 0.00 0.00 0.00 44.72 44.93 3dlv s GLY 80 CO 0.22 0.60 1.57 1.70 0.00 0.00 0.00 173.10 177.20 3dlv h LYS 81 N -2.24 0.65 -0.44 2.90 3.64 -1.97 -1.17 116.57 117.95 3dlv h LYS 81 Ca -0.55 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 58.64 3dlv h LYS 81 Cb 1.31 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.04 3dlv h LYS 81 CO 0.50 0.75 0.27 1.03 -2.27 0.00 0.00 179.45 179.73 3dlv h SER 82 N 0.48 0.46 -0.50 4.20 0.87 -1.99 0.44 113.55 117.50 3dlv h SER 82 Ca 0.11 -0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.54 3dlv h SER 82 Cb 0.44 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3dlv h SER 82 CO 0.02 0.33 -0.18 0.50 -0.53 0.00 0.00 176.83 176.97 3dlv h LYS 83 N 0.55 1.00 -0.64 2.24 3.64 -1.93 -2.54 116.57 118.90 3dlv h LYS 83 Ca 0.17 -0.41 0.02 0.00 -1.27 0.00 0.00 60.65 59.15 3dlv h LYS 83 Cb -0.03 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3dlv h LYS 83 CO -0.06 1.09 0.41 0.77 -2.27 0.00 0.00 179.45 179.40 3dlv h SER 84 N 0.87 0.70 -0.72 4.20 0.02 -0.80 -1.56 113.55 116.26 3dlv h SER 84 Ca 0.12 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 3dlv h SER 84 Cb 0.75 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 3dlv h SER 84 CO 0.06 0.50 0.30 -0.07 -1.14 0.00 0.00 176.83 176.47 3dlv h LEU 85 N 0.83 0.99 -0.63 5.07 3.38 -0.85 -0.73 115.31 123.37 3dlv h LEU 85 Ca 0.24 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3dlv h LEU 85 Cb -0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3dlv h LEU 85 CO -0.07 0.88 0.28 0.11 0.09 0.00 0.00 178.44 179.73 3dlv h LYS 86 N 1.03 0.92 -0.65 1.13 1.57 -1.19 -0.96 116.57 118.42 3dlv h LYS 86 Ca 0.24 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 3dlv h LYS 86 Cb 0.20 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3dlv h LYS 86 CO -0.02 0.76 0.06 -0.07 -0.57 0.00 0.00 179.45 179.61 3dlv h LEU 87 N 0.87 1.07 -0.11 2.94 3.38 -1.02 -1.78 115.31 120.67 3dlv h LEU 87 Ca 0.21 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3dlv h LEU 87 Cb 0.16 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3dlv h LEU 87 CO -0.02 1.09 0.05 0.40 0.09 0.00 0.00 178.44 180.05 3dlv h ILE 88 N 1.02 1.10 -0.64 1.22 2.04 -0.95 -0.51 117.51 120.80 3dlv h ILE 88 Ca 0.19 -0.29 0.07 0.00 1.00 0.00 0.00 64.86 65.83 3dlv h ILE 88 Cb 0.50 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3dlv h ILE 88 CO 0.02 0.09 0.33 0.00 0.00 0.00 0.00 178.15 178.60 3dlv h ALA 89 N 0.94 0.86 -0.56 1.87 0.00 -1.08 -1.11 119.26 120.18 3dlv h ALA 89 Ca 0.04 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3dlv h ALA 89 Cb 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3dlv h ALA 89 CO -0.01 -0.02 0.14 1.96 0.00 0.00 0.00 179.25 181.32 3dlv h GLN 90 N 0.61 0.90 -0.74 0.00 4.20 -1.16 -2.19 115.11 116.73 3dlv h GLN 90 Ca 0.30 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 3dlv h GLN 90 Cb 0.23 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 3dlv h GLN 90 CO -0.21 0.84 0.39 -0.22 -0.67 0.00 0.00 178.83 178.97 3dlv h LYS 91 N 0.80 1.05 -0.47 1.46 1.63 -0.64 -1.67 116.57 118.72 3dlv h LYS 91 Ca 0.18 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 3dlv h LYS 91 Cb 0.34 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 3dlv h LYS 91 CO 0.00 0.79 0.20 0.82 -3.45 0.00 0.00 179.45 177.81 3dlv h ILE 92 N 1.03 1.20 -0.86 2.00 2.04 -1.08 0.57 117.51 122.41 3dlv h ILE 92 Ca 0.26 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.56 3dlv h ILE 92 Cb 0.06 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 3dlv h ILE 92 CO -0.04 0.23 0.54 -0.09 0.00 0.00 0.00 178.15 178.79 3dlv h ARG 93 N 0.62 0.97 -0.50 2.37 2.43 -1.17 -1.24 114.38 117.86 3dlv h ARG 93 Ca 0.16 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 3dlv h ARG 93 Cb 0.18 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3dlv h ARG 93 CO -0.01 0.64 0.07 1.49 -1.51 0.00 0.00 179.97 180.65 3dlv h GLU 94 N 1.00 0.84 -0.04 0.20 4.81 -0.71 -2.16 114.58 118.53 3dlv h GLU 94 Ca 0.37 -0.23 0.04 0.00 -0.13 0.00 0.00 59.36 59.40 3dlv h GLU 94 Cb 0.13 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 3dlv h GLU 94 CO -0.16 0.84 -0.30 0.74 -0.73 0.00 0.00 179.01 179.41 3dlv h PHE 95 N 0.72 -0.81 -0.67 0.92 0.04 -0.27 -1.73 116.94 115.14 3dlv h PHE 95 Ca 0.15 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.89 3dlv h PHE 95 Cb 0.41 0.36 -0.03 0.00 2.20 0.00 0.00 35.95 38.90 3dlv h PHE 95 CO 0.03 -0.39 0.20 0.00 -0.60 0.00 0.00 178.31 177.55 3dlv h ARG 96 N -0.42 1.06 -0.52 1.51 3.08 -1.14 -2.11 114.38 115.83 3dlv h ARG 96 Ca 0.07 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 3dlv h ARG 96 Cb 0.53 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3dlv h ARG 96 CO -0.28 0.92 0.25 0.00 -1.07 0.00 0.00 179.97 179.79 3dlv h ARG 97 N 0.99 0.75 -0.43 0.04 3.08 -1.30 -1.20 114.38 116.30 3dlv h ARG 97 Ca 0.22 -0.11 0.06 0.00 0.07 0.00 0.00 59.98 60.21 3dlv h ARG 97 Cb 0.32 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 3dlv h ARG 97 CO -0.00 0.62 0.13 -0.09 -1.07 0.00 0.00 179.97 179.56 3dlv h ARG 98 N 0.69 0.28 0.01 0.04 2.43 -0.94 -0.43 114.38 116.47 3dlv h ARG 98 Ca 0.18 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3dlv h ARG 98 Cb 0.12 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3dlv h ARG 98 CO -0.02 0.18 -0.01 0.77 -1.51 0.00 0.00 179.97 179.38 3dlv h SER 99 N 0.29 -0.02 -0.60 -3.80 0.02 -1.14 -3.15 113.55 105.14 3dlv h SER 99 Ca 0.20 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 3dlv h SER 99 Cb 0.22 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 3dlv h SER 99 CO -0.23 0.21 0.14 0.00 -1.14 0.00 0.00 176.83 175.81 3dlv h ALA 100 N 0.74 1.05 -0.49 3.77 0.00 -1.09 -3.46 119.26 119.79 3dlv h ALA 100 Ca -0.00 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.46 3dlv h ALA 100 Cb 0.23 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 3dlv h ALA 100 CO 0.00 0.62 -0.19 0.41 0.00 0.00 0.00 179.25 180.09 3dlv n GLY 101 N -0.73 1.10 3.34 0.00 0.00 -0.18 -4.96 105.19 103.76 3dlv n GLY 101 Ca 0.05 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 3dlv n GLY 101 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dlv s THR 102 N -2.19 0.05 -0.09 2.61 -1.32 -1.26 -5.08 115.64 108.36 3dlv s THR 102 Ca 0.00 -0.38 -0.18 0.00 -1.21 0.00 0.00 61.69 59.92 3dlv s THR 102 Cb 0.00 -0.89 -0.28 0.00 -1.51 0.00 0.00 72.50 69.82 3dlv s THR 102 CO 0.00 -0.21 0.63 0.25 -2.21 0.00 0.00 174.62 173.08 3dlv h LEU 103 N 3.15 0.38 -7.90 9.08 6.46 -1.94 -3.46 115.31 121.07 3dlv h LEU 103 Ca -0.30 -0.87 -0.57 0.00 -0.12 0.00 0.00 57.88 56.02 3dlv h LEU 103 Cb 1.19 -0.12 -0.35 0.00 -0.73 0.00 0.00 40.66 40.64 3dlv h LEU 103 CO 0.42 1.55 -0.83 0.68 -0.62 0.00 0.00 178.44 179.64 3dlv s VAL 104 N -2.45 1.40 0.00 1.05 -7.23 -1.26 -5.18 120.40 106.73 3dlv s VAL 104 Ca -0.19 -0.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 3dlv s VAL 104 Cb 0.03 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.66 3dlv s VAL 104 CO 0.77 0.43 0.00 -0.81 -0.31 0.00 0.00 175.10 175.18