#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6p s GLU 2 N 0.00 3.60 1.04 3.17 2.02 -1.26 -4.89 118.70 122.38 3i6p s GLU 2 Ca 0.00 1.37 -0.11 0.00 0.02 0.00 0.00 54.97 56.25 3i6p s GLU 2 Cb 0.00 -2.06 0.22 0.00 0.10 0.00 0.00 34.13 32.38 3i6p s GLU 2 CO 0.00 -0.60 1.09 0.00 0.02 0.00 0.00 175.26 175.77 3i6p s ALA 3 N -2.05 0.48 -0.10 5.21 0.00 0.44 -4.45 121.76 121.28 3i6p s ALA 3 Ca 0.67 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.92 3i6p s ALA 3 Cb -0.18 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.60 3i6p s ALA 3 CO 0.25 -3.34 -0.11 -1.17 0.00 0.00 0.00 175.76 171.39 3i6p s LEU 4 N -6.94 1.48 -0.07 0.00 2.96 -0.25 -2.72 118.68 113.15 3i6p s LEU 4 Ca 0.68 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 54.27 3i6p s LEU 4 Cb -0.24 -0.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.51 3i6p s LEU 4 CO 0.61 -0.04 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.64 3i6p s GLY 5 N 1.21 1.54 0.01 7.98 0.00 -0.09 -0.87 107.32 117.09 3i6p s GLY 5 Ca -0.04 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.74 3i6p s GLY 5 CO -0.03 -0.65 -0.06 1.06 0.00 0.00 0.00 173.10 173.42 3i6p s MET 6 N -0.52 0.45 -0.02 2.90 1.00 -0.26 -1.24 119.30 121.62 3i6p s MET 6 Ca 0.07 -0.33 0.04 0.00 0.00 0.00 0.00 55.69 55.47 3i6p s MET 6 Cb -0.12 -0.38 -0.01 0.00 0.00 0.00 0.00 34.83 34.32 3i6p s MET 6 CO 0.02 0.10 -0.15 0.42 0.00 0.00 0.00 175.02 175.40 3i6p s ILE 7 N -0.44 1.22 -0.09 2.53 -1.09 -0.92 -1.58 121.20 120.84 3i6p s ILE 7 Ca -0.01 -0.64 0.01 0.00 -2.23 0.00 0.00 60.65 57.78 3i6p s ILE 7 Cb -0.04 -1.03 0.02 0.00 -1.58 0.00 0.00 42.46 39.83 3i6p s ILE 7 CO -0.00 0.35 -0.11 -0.70 -1.23 0.00 0.00 174.94 173.25 3i6p s GLU 8 N -0.23 1.70 0.35 2.79 2.12 0.65 -0.88 118.70 125.20 3i6p s GLU 8 Ca 0.03 -0.38 0.07 0.00 0.36 0.00 0.00 54.97 55.06 3i6p s GLU 8 Cb -0.07 -1.53 -0.07 0.00 0.26 0.00 0.00 34.13 32.72 3i6p s GLU 8 CO 0.00 -0.09 -0.04 0.95 -0.54 0.00 0.00 175.26 175.54 3i6p s THR 9 N 1.08 1.92 -0.49 -1.70 -4.23 -0.22 -0.01 115.64 111.99 3i6p s THR 9 Ca -0.07 -2.11 -0.11 0.00 -1.18 0.00 0.00 61.69 58.23 3i6p s THR 9 Cb -0.14 -2.72 0.12 0.00 1.34 0.00 0.00 72.50 71.10 3i6p s THR 9 CO -0.01 -0.14 0.38 -0.60 -0.54 0.00 0.00 174.62 173.71 3i6p s ARG 10 N -3.70 2.61 0.00 3.99 3.52 -0.58 -1.23 118.95 123.56 3i6p s ARG 10 Ca 0.33 -1.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.18 3i6p s ARG 10 Cb 0.06 -4.02 0.00 0.00 -1.56 0.00 0.00 34.95 29.42 3i6p s ARG 10 CO 0.16 -1.23 0.00 0.41 -0.81 0.00 0.00 175.30 173.83 3i6p n GLY 11 N 5.00 3.94 0.14 8.12 0.00 -0.16 -4.28 105.19 117.94 3i6p n GLY 11 Ca -0.09 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.51 3i6p n GLY 11 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i6p h LEU 12 N 0.00 0.39 -0.31 0.99 5.85 -1.92 -3.19 115.31 117.11 3i6p h LEU 12 Ca 0.00 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 3i6p h LEU 12 Cb 0.00 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3i6p h LEU 12 CO 0.00 1.12 0.14 0.58 -0.34 0.00 0.00 178.44 179.93 3i6p h VAL 13 N 0.17 1.17 -0.92 1.05 2.07 -1.99 0.25 116.25 118.04 3i6p h VAL 13 Ca -0.06 -0.49 0.15 0.00 0.82 0.00 0.00 66.70 67.12 3i6p h VAL 13 Cb 1.55 0.92 -0.08 0.00 -1.52 0.00 0.00 31.29 32.16 3i6p h VAL 13 CO 0.15 0.18 0.59 0.00 0.02 0.00 0.00 177.57 178.50 3i6p h ALA 14 N 0.99 1.82 -0.06 1.67 0.00 -1.87 -1.39 119.26 120.41 3i6p h ALA 14 Ca 0.11 0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.81 3i6p h ALA 14 Cb 0.15 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3i6p h ALA 14 CO -0.01 -0.08 -0.89 1.25 0.00 0.00 0.00 179.25 179.51 3i6p h LEU 15 N 0.70 0.79 -0.28 0.00 5.85 -1.27 -0.76 115.31 120.34 3i6p h LEU 15 Ca 0.47 -0.58 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 3i6p h LEU 15 Cb 0.77 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3i6p h LEU 15 CO -0.23 1.37 0.02 0.40 -0.34 0.00 0.00 178.44 179.66 3i6p h ILE 16 N 0.39 1.24 -0.70 4.05 2.04 -0.26 -0.68 117.51 123.60 3i6p h ILE 16 Ca -0.08 -0.86 0.05 0.00 1.00 0.00 0.00 64.86 64.97 3i6p h ILE 16 Cb 1.52 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 38.81 3i6p h ILE 16 CO 0.17 0.28 0.41 -0.08 0.00 0.00 0.00 178.15 178.93 3i6p h GLU 17 N 0.28 0.76 -0.59 2.37 4.57 -1.30 -0.49 114.58 120.18 3i6p h GLU 17 Ca 0.08 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3i6p h GLU 17 Cb 0.38 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 3i6p h GLU 17 CO 0.01 0.50 0.33 0.00 -1.18 0.00 0.00 179.01 178.67 3i6p h ALA 18 N 1.33 0.75 -0.45 2.92 0.00 -0.98 -1.58 119.26 121.26 3i6p h ALA 18 Ca 0.30 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3i6p h ALA 18 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3i6p h ALA 18 CO -0.15 0.26 -0.09 0.77 0.00 0.00 0.00 179.25 180.04 3i6p h SER 19 N 0.80 0.86 -0.18 0.00 0.02 -0.69 0.13 113.55 114.49 3i6p h SER 19 Ca 0.21 -0.35 0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3i6p h SER 19 Cb 0.03 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.29 3i6p h SER 19 CO -0.04 1.02 -0.09 -0.78 -1.14 0.00 0.00 176.83 175.81 3i6p h ASP 20 N 0.70 -0.29 -0.64 3.07 3.58 -1.03 -1.62 116.42 120.19 3i6p h ASP 20 Ca 0.12 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 3i6p h ASP 20 Cb 0.63 0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.81 3i6p h ASP 20 CO 0.04 -0.11 0.37 0.00 -2.88 0.00 0.00 179.24 176.66 3i6p h ALA 21 N 1.09 1.41 0.40 -0.78 0.00 -0.81 -2.23 119.26 118.33 3i6p h ALA 21 Ca 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3i6p h ALA 21 Cb 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3i6p h ALA 21 CO -0.22 0.49 -0.19 0.52 0.00 0.00 0.00 179.25 179.85 3i6p h MET 22 N 0.91 -0.51 0.00 0.00 2.86 -0.30 -1.81 114.93 116.07 3i6p h MET 22 Ca 0.23 0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.87 3i6p h MET 22 Cb 0.01 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3i6p h MET 22 CO -0.04 -0.26 -0.17 -0.39 1.06 0.00 0.00 176.91 177.11 3i6p h VAL 23 N -0.69 0.38 -0.00 -2.22 -1.51 -1.24 -2.61 116.25 108.36 3i6p h VAL 23 Ca -0.05 -1.05 -0.18 0.00 -1.23 0.00 0.00 66.70 64.18 3i6p h VAL 23 Cb 0.49 1.79 -0.02 0.00 -2.13 0.00 0.00 31.29 31.42 3i6p h VAL 23 CO 0.09 0.16 -0.81 0.11 -1.23 0.00 0.00 177.57 175.89 3i6p h LYS 24 N 0.00 0.11 0.00 5.19 1.57 -1.38 -3.36 116.57 118.70 3i6p h LYS 24 Ca -0.00 -0.11 -0.22 0.00 -1.87 0.00 0.00 60.65 58.44 3i6p h LYS 24 Cb 0.78 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.09 3i6p h LYS 24 CO 0.02 0.86 -1.11 0.00 -0.57 0.00 0.00 179.45 178.65 3i6p h ALA 25 N 1.10 0.41 -2.93 3.86 0.00 -0.93 -3.48 119.26 117.29 3i6p h ALA 25 Ca -0.02 -0.99 0.02 0.00 0.00 0.00 0.00 54.91 53.91 3i6p h ALA 25 Cb 1.42 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 3i6p h ALA 25 CO 0.12 1.29 0.09 0.00 0.00 0.00 0.00 179.25 180.75 3i6p s ALA 26 N -2.69 -0.89 -1.12 0.00 0.00 -1.17 -4.80 121.76 111.10 3i6p s ALA 26 Ca 0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 51.96 51.34 3i6p s ALA 26 Cb 0.10 0.92 0.13 0.00 0.00 0.00 0.00 23.12 24.27 3i6p s ALA 26 CO 0.82 -0.94 1.38 1.03 0.00 0.00 0.00 175.76 178.05 3i6p s ARG 27 N -3.94 3.88 0.15 0.00 3.00 -1.26 -4.57 118.95 116.21 3i6p s ARG 27 Ca 0.14 -2.12 0.08 0.00 0.00 0.00 0.00 55.73 53.83 3i6p s ARG 27 Cb -0.04 -5.11 -0.04 0.00 0.00 0.00 0.00 34.95 29.77 3i6p s ARG 27 CO 0.06 -1.87 -0.18 0.14 0.00 0.00 0.00 175.30 173.44 3i6p s VAL 28 N 2.57 1.77 -0.29 3.52 -7.23 -1.26 -4.67 120.40 114.81 3i6p s VAL 28 Ca 0.41 -1.83 -0.11 0.00 -1.81 0.00 0.00 61.98 58.64 3i6p s VAL 28 Cb -0.02 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 3i6p s VAL 28 CO -0.03 -0.27 0.18 -0.75 -0.31 0.00 0.00 175.10 173.92 3i6p s LYS 29 N -2.61 3.83 -0.42 4.82 2.36 0.68 -4.88 119.74 123.52 3i6p s LYS 29 Ca 0.13 -0.40 -0.28 0.00 -2.55 0.00 0.00 55.97 52.87 3i6p s LYS 29 Cb -0.06 -3.64 -0.00 0.00 -1.05 0.00 0.00 37.83 33.08 3i6p s LYS 29 CO 0.06 -0.23 1.58 -1.17 1.55 0.00 0.00 175.35 177.14 3i6p s LEU 30 N 1.73 3.51 0.00 5.43 2.96 -1.26 -1.09 118.68 129.96 3i6p s LEU 30 Ca 0.07 0.89 0.10 0.00 -0.22 0.00 0.00 54.13 54.97 3i6p s LEU 30 Cb -0.16 -3.40 0.22 0.00 0.50 0.00 0.00 46.19 43.35 3i6p s LEU 30 CO 0.10 -1.63 1.10 1.33 -1.32 0.00 0.00 176.35 175.92 3i6p n VAL 31 N 7.18 0.63 0.00 1.68 0.24 0.49 -4.99 118.33 123.56 3i6p n VAL 31 Ca 0.18 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 3i6p n VAL 31 Cb 0.48 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 3i6p n VAL 31 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i6p n GLY 32 N 0.53 3.05 3.11 7.63 0.00 -1.21 -4.71 105.19 113.57 3i6p n GLY 32 Ca 0.09 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 3i6p n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6p s VAL 33 N -2.00 1.02 -0.04 1.61 1.01 -1.26 -1.76 120.40 118.98 3i6p s VAL 33 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3i6p s VAL 33 Cb 0.00 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.51 3i6p s VAL 33 CO 0.00 0.12 -0.01 -0.54 0.00 0.00 0.00 175.10 174.67 3i6p s LYS 34 N -0.74 0.49 0.03 2.72 -0.14 0.03 -4.98 119.74 117.15 3i6p s LYS 34 Ca 0.03 0.03 0.01 0.00 -1.36 0.00 0.00 55.97 54.68 3i6p s LYS 34 Cb -0.06 -0.66 -0.04 0.00 -1.68 0.00 0.00 37.83 35.39 3i6p s LYS 34 CO 0.00 -0.14 0.09 1.14 -0.76 0.00 0.00 175.35 175.68 3i6p s GLN 35 N 1.14 3.03 -0.02 1.68 -2.07 -1.26 -0.82 119.66 121.34 3i6p s GLN 35 Ca -0.08 -0.56 0.03 0.00 -1.82 0.00 0.00 55.36 52.93 3i6p s GLN 35 Cb -0.14 -2.82 0.05 0.00 -1.09 0.00 0.00 33.01 29.01 3i6p s GLN 35 CO -0.02 0.61 1.02 0.44 -1.32 0.00 0.00 175.29 176.03 3i6p n ILE 36 N 0.82 0.34 0.00 3.63 -5.35 -0.96 -5.01 119.36 112.83 3i6p n ILE 36 Ca -0.11 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 3i6p n ILE 36 Cb 0.52 0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.79 3i6p n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i6p n GLY 37 N -0.26 -0.99 2.70 3.28 0.00 -1.26 -4.92 105.19 103.74 3i6p n GLY 37 Ca 0.03 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3i6p n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6p n GLY 38 N -0.92 0.35 1.98 -0.02 0.00 -1.26 -2.46 105.19 102.86 3i6p n GLY 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i6p n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6p n GLY 39 N -1.41 0.83 3.72 -0.02 0.00 -1.26 -4.96 105.19 102.09 3i6p n GLY 39 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i6p n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6p s LEU 40 N 0.00 4.38 -0.00 0.99 1.43 -1.03 -0.99 118.68 123.46 3i6p s LEU 40 Ca 0.00 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 3i6p s LEU 40 Cb 0.00 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.76 3i6p s LEU 40 CO 0.00 -0.19 -0.01 0.00 0.23 0.00 0.00 176.35 176.38 3i6p s THR 42 N 0.11 1.14 0.01 0.00 2.01 0.00 -1.06 115.64 117.85 3i6p s THR 42 Ca -0.01 -0.60 0.08 0.00 0.31 0.00 0.00 61.69 61.47 3i6p s THR 42 Cb -0.02 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 3i6p s THR 42 CO -0.00 0.33 -0.24 0.00 -0.69 0.00 0.00 174.62 174.01 3i6p s ALA 43 N -0.24 2.29 -0.02 7.40 0.00 -0.06 -0.79 121.76 130.34 3i6p s ALA 43 Ca 0.04 -1.18 0.04 0.00 0.00 0.00 0.00 51.96 50.86 3i6p s ALA 43 Cb -0.07 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 3i6p s ALA 43 CO -0.00 0.54 -0.15 -1.64 0.00 0.00 0.00 175.76 174.51 3i6p s MET 44 N -0.99 1.27 0.05 0.00 -1.94 -0.72 -2.16 119.30 114.82 3i6p s MET 44 Ca 0.11 -0.52 0.04 0.00 -1.71 0.00 0.00 55.69 53.62 3i6p s MET 44 Cb -0.10 -1.20 -0.03 0.00 2.01 0.00 0.00 34.83 35.52 3i6p s MET 44 CO 0.01 0.28 -0.12 0.14 -0.01 0.00 0.00 175.02 175.33 3i6p s VAL 45 N -0.22 0.90 0.02 -6.03 -7.23 -0.37 -0.38 120.40 107.09 3i6p s VAL 45 Ca 0.03 -1.15 0.08 0.00 -1.81 0.00 0.00 61.98 59.14 3i6p s VAL 45 Cb -0.07 -0.89 -0.02 0.00 0.56 0.00 0.00 36.38 35.96 3i6p s VAL 45 CO 0.00 -0.23 -0.25 -0.13 -0.31 0.00 0.00 175.10 174.18 3i6p s ARG 46 N -1.54 1.82 0.01 4.82 1.81 -0.25 -0.91 118.95 124.71 3i6p s ARG 46 Ca -0.04 -0.99 -0.12 0.00 -1.72 0.00 0.00 55.73 52.85 3i6p s ARG 46 Cb -0.09 -1.89 0.04 0.00 -0.45 0.00 0.00 34.95 32.56 3i6p s ARG 46 CO 0.01 0.50 0.57 0.41 -0.68 0.00 0.00 175.30 176.11 3i6p n GLY 47 N 2.07 0.58 3.76 -3.53 0.00 -1.10 -0.23 105.19 106.74 3i6p n GLY 47 Ca -0.16 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 3i6p n GLY 47 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i6p s ASP 48 N -2.28 3.85 0.19 1.61 1.47 -1.26 -0.42 116.67 119.84 3i6p s ASP 48 Ca 0.13 1.30 -0.11 0.00 1.18 0.00 0.00 52.55 55.05 3i6p s ASP 48 Cb -0.01 -1.98 0.17 0.00 -0.34 0.00 0.00 42.92 40.76 3i6p s ASP 48 CO 0.00 -2.38 1.81 0.58 0.68 0.00 0.00 175.17 175.87 3i6p h VAL 49 N -1.37 1.01 -0.78 2.11 2.07 -1.93 -1.07 116.25 116.30 3i6p h VAL 49 Ca -0.49 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 66.86 3i6p h VAL 49 Cb 1.29 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 3i6p h VAL 49 CO 0.58 0.12 0.46 0.00 0.02 0.00 0.00 177.57 178.75 3i6p h ALA 50 N 1.29 1.06 -0.33 1.67 0.00 -2.00 -1.29 119.26 119.67 3i6p h ALA 50 Ca 0.26 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3i6p h ALA 50 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3i6p h ALA 50 CO -0.14 0.17 -0.24 0.00 0.00 0.00 0.00 179.25 179.04 3i6p h ALA 51 N 1.38 0.47 -0.47 0.00 0.00 -1.70 -1.85 119.26 117.10 3i6p h ALA 51 Ca 0.34 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3i6p h ALA 51 Cb 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3i6p h ALA 51 CO -0.18 0.45 -0.08 0.00 0.00 0.00 0.00 179.25 179.44 3i6p h LYS 53 N 0.75 0.12 -0.60 0.00 3.64 -1.22 -0.67 116.57 118.59 3i6p h LYS 53 Ca 0.13 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3i6p h LYS 53 Cb 0.57 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 3i6p h LYS 53 CO 0.03 0.40 0.38 0.00 -2.27 0.00 0.00 179.45 177.99 3i6p h ALA 54 N 0.71 0.77 0.08 5.00 0.00 -1.18 -1.54 119.26 123.10 3i6p h ALA 54 Ca 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3i6p h ALA 54 Cb 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3i6p h ALA 54 CO 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 179.25 179.30 3i6p h ALA 55 N 1.24 -0.16 -0.27 0.00 0.00 -0.46 -2.65 119.26 116.96 3i6p h ALA 55 Ca 0.23 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 3i6p h ALA 55 Cb -0.03 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i6p h ALA 55 CO -0.08 -0.61 -0.51 1.79 0.00 0.00 0.00 179.25 179.84 3i6p h THR 56 N -0.20 1.29 -0.26 0.00 1.35 -0.94 -0.43 112.91 113.72 3i6p h THR 56 Ca 0.01 -1.71 0.03 0.00 -0.55 0.00 0.00 66.41 64.19 3i6p h THR 56 Cb 0.20 1.63 -0.03 0.00 -1.73 0.00 0.00 68.15 68.21 3i6p h THR 56 CO -0.04 0.55 0.09 0.44 -0.25 0.00 0.00 175.52 176.31 3i6p h ASP 57 N 0.60 0.09 -0.14 5.36 3.32 -1.34 0.20 116.42 124.51 3i6p h ASP 57 Ca 0.02 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3i6p h ASP 57 Cb 1.09 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 3i6p h ASP 57 CO 0.11 0.08 0.08 0.00 -1.72 0.00 0.00 179.24 177.79 3i6p h ALA 58 N 1.17 0.17 -0.70 3.45 0.00 -1.23 -2.49 119.26 119.63 3i6p h ALA 58 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3i6p h ALA 58 Cb 0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3i6p h ALA 58 CO -0.12 -0.32 0.41 0.78 0.00 0.00 0.00 179.25 180.00 3i6p h GLY 59 N 0.15 1.03 0.98 0.00 0.00 -0.89 -2.00 103.07 102.35 3i6p h GLY 59 Ca 0.05 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3i6p h GLY 59 CO -0.01 0.43 -0.16 0.00 0.00 0.00 0.00 176.54 176.80 3i6p h ALA 60 N 1.21 -0.44 -0.61 3.60 0.00 -0.50 0.14 119.26 122.66 3i6p h ALA 60 Ca 0.25 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3i6p h ALA 60 Cb -0.00 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3i6p h ALA 60 CO -0.04 -0.74 0.30 0.00 0.00 0.00 0.00 179.25 178.77 3i6p h ALA 61 N 0.20 0.80 -0.38 0.00 0.00 -1.42 -1.47 119.26 116.99 3i6p h ALA 61 Ca -0.05 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3i6p h ALA 61 Cb 0.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3i6p h ALA 61 CO 0.07 -0.06 0.03 0.00 0.00 0.00 0.00 179.25 179.30 3i6p h ALA 62 N 1.35 0.51 -0.34 0.00 0.00 -1.19 -2.78 119.26 116.80 3i6p h ALA 62 Ca 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3i6p h ALA 62 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3i6p h ALA 62 CO -0.21 0.25 0.19 0.00 0.00 0.00 0.00 179.25 179.48 3i6p h ALA 63 N 0.90 0.44 -0.45 0.00 0.00 -0.80 -2.82 119.26 116.53 3i6p h ALA 63 Ca 0.11 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.08 3i6p h ALA 63 Cb 0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3i6p h ALA 63 CO 0.01 -0.04 0.32 0.37 0.00 0.00 0.00 179.25 179.91 3i6p h GLN 64 N 0.43 0.01 0.00 0.00 4.15 -1.20 0.12 115.11 118.62 3i6p h GLN 64 Ca 0.12 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.44 3i6p h GLN 64 Cb 0.04 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 3i6p h GLN 64 CO -0.02 0.01 -0.49 0.00 -1.93 0.00 0.00 178.83 176.40 3i6p h ARG 65 N 0.01 0.00 0.00 1.69 3.08 -1.22 -3.35 114.38 114.59 3i6p h ARG 65 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3i6p h ARG 65 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.89 3i6p h ARG 65 CO -0.00 0.49 0.00 0.44 -1.07 0.00 0.00 179.97 179.82 3i6p n ILE 66 N -3.71 0.00 -2.63 2.04 -5.35 -0.62 -5.11 119.36 103.99 3i6p n ILE 66 Ca -0.01 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 3i6p n ILE 66 Cb 0.55 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.50 3i6p n ILE 66 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i6p n GLY 67 N 0.23 1.58 3.37 3.28 0.00 0.32 -4.80 105.19 109.16 3i6p n GLY 67 Ca 0.00 -0.66 -0.45 0.00 0.00 0.00 0.00 46.02 44.91 3i6p n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i6p s GLU 68 N 0.97 3.00 -0.05 1.61 2.12 -1.26 -4.27 118.70 120.83 3i6p s GLU 68 Ca 0.00 -1.41 -0.28 0.00 0.36 0.00 0.00 54.97 53.64 3i6p s GLU 68 Cb 0.00 -4.19 -0.03 0.00 0.26 0.00 0.00 34.13 30.17 3i6p s GLU 68 CO 0.00 -1.19 0.92 -1.17 -0.54 0.00 0.00 175.26 173.28 3i6p s LEU 69 N 1.83 4.31 -0.27 2.70 2.96 -1.26 -1.52 118.68 127.43 3i6p s LEU 69 Ca 0.06 1.49 -0.11 0.00 -0.22 0.00 0.00 54.13 55.35 3i6p s LEU 69 Cb -0.25 -3.44 -0.12 0.00 0.50 0.00 0.00 46.19 42.87 3i6p s LEU 69 CO 0.06 -0.29 -0.33 0.52 -1.32 0.00 0.00 176.35 175.00 3i6p n VAL 70 N 4.10 1.46 -3.77 1.68 0.31 0.99 -4.92 118.33 118.17 3i6p n VAL 70 Ca 0.05 -0.40 -0.13 0.00 -0.01 0.00 0.00 64.34 63.86 3i6p n VAL 70 Cb 0.50 -1.80 -0.09 0.00 -0.91 0.00 0.00 33.84 31.55 3i6p n VAL 70 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3i6p s SER 71 N -7.27 -0.15 -0.11 4.52 0.01 -0.75 -4.98 113.70 104.97 3i6p s SER 71 Ca -0.37 -0.00 -0.06 0.00 1.31 0.00 0.00 55.95 56.83 3i6p s SER 71 Cb 0.14 0.31 0.05 0.00 0.21 0.00 0.00 66.02 66.72 3i6p s SER 71 CO 0.48 -0.47 0.26 0.54 0.41 0.00 0.00 173.24 174.47 3i6p s VAL 72 N -1.56 -0.04 -0.08 3.43 0.11 -1.26 -0.25 120.40 120.75 3i6p s VAL 72 Ca -0.12 0.14 -0.26 0.00 -2.93 0.00 0.00 61.98 58.81 3i6p s VAL 72 Cb -0.05 -0.40 0.06 0.00 -1.53 0.00 0.00 36.38 34.46 3i6p s VAL 72 CO 0.03 0.06 0.59 -2.28 -3.33 0.00 0.00 175.10 170.16 3i6p s HIS 73 N 1.25 -0.56 -0.10 1.54 2.46 -0.61 -5.01 115.29 114.25 3i6p s HIS 73 Ca -0.09 1.06 0.02 0.00 0.47 0.00 0.00 55.06 56.52 3i6p s HIS 73 Cb -0.10 0.31 -0.01 0.00 -0.13 0.00 0.00 32.58 32.64 3i6p s HIS 73 CO -0.09 -0.50 -0.18 0.08 -2.47 0.00 0.00 174.74 171.58 3i6p s VAL 74 N -0.90 2.66 -0.38 0.89 1.01 -1.26 -1.10 120.40 121.32 3i6p s VAL 74 Ca -0.09 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 3i6p s VAL 74 Cb -0.02 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.35 3i6p s VAL 74 CO 0.07 0.55 0.19 -0.63 0.00 0.00 0.00 175.10 175.28 3i6p s ILE 75 N 0.08 4.09 0.25 2.22 1.01 -0.05 -5.00 121.20 123.80 3i6p s ILE 75 Ca -0.08 -1.21 -0.04 0.00 0.00 0.00 0.00 60.65 59.33 3i6p s ILE 75 Cb -0.15 -3.40 0.25 0.00 0.01 0.00 0.00 42.46 39.17 3i6p s ILE 75 CO 0.05 -0.33 1.87 -0.65 0.00 0.00 0.00 174.94 175.88 3i6p h PRO 76 N 8.33 1.07 -2.58 2.79 0.11 -1.95 -0.64 132.00 139.13 3i6p h PRO 76 Ca -0.23 -0.06 -0.60 0.00 0.11 0.00 0.00 66.00 65.22 3i6p h PRO 76 Cb 1.09 -0.24 -0.39 0.00 0.11 0.00 0.00 31.00 31.56 3i6p h PRO 76 CO 0.68 0.71 -0.86 1.03 -0.21 0.00 0.00 178.00 179.35 3i6p s ARG 77 N -6.05 1.35 0.34 1.05 0.52 -1.26 -3.36 118.95 111.54 3i6p s ARG 77 Ca -0.13 -2.46 -0.29 0.00 -0.52 0.00 0.00 55.73 52.34 3i6p s ARG 77 Cb 0.19 -2.00 -0.11 0.00 0.52 0.00 0.00 34.95 33.55 3i6p s ARG 77 CO 0.80 -1.35 1.44 -1.25 0.02 0.00 0.00 175.30 174.96 3i6p s PRO 78 N -0.36 4.20 0.42 3.54 0.04 -1.26 -4.93 135.00 136.65 3i6p s PRO 78 Ca 0.30 2.44 -0.26 0.00 0.04 0.00 0.00 61.00 63.52 3i6p s PRO 78 Cb 0.01 -3.02 -0.08 0.00 0.04 0.00 0.00 34.50 31.45 3i6p s PRO 78 CO -0.18 -0.43 1.30 -1.58 0.04 0.00 0.00 177.00 176.15 3i6p s HIS 79 N -0.92 2.79 0.50 0.56 2.46 -1.26 -4.90 115.29 114.53 3i6p s HIS 79 Ca 0.53 1.41 0.28 0.00 0.47 0.00 0.00 55.06 57.76 3i6p s HIS 79 Cb -0.44 -3.66 1.38 0.00 -0.13 0.00 0.00 32.58 29.73 3i6p s HIS 79 CO 0.57 -2.10 1.87 0.78 -2.47 0.00 0.00 174.74 173.38 3i6p h GLY 80 N 2.58 0.27 2.00 1.59 0.00 -2.04 -0.66 103.07 106.81 3i6p h GLY 80 Ca -0.50 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 3i6p h GLY 80 CO 0.62 -0.01 -0.02 -0.55 0.00 0.00 0.00 176.54 176.58 3i6p h ASP 81 N 0.11 0.00 0.40 0.19 5.19 -2.03 -3.02 116.42 117.27 3i6p h ASP 81 Ca 0.46 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.72 3i6p h ASP 81 Cb 1.63 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.13 3i6p h ASP 81 CO -0.06 0.02 -0.63 -0.07 -3.12 0.00 0.00 179.24 175.37 3i6p h LEU 82 N 0.00 0.25 -0.75 1.55 4.07 -1.48 -3.11 115.31 115.84 3i6p h LEU 82 Ca -0.00 -0.15 -0.13 0.00 0.08 0.00 0.00 57.88 57.69 3i6p h LEU 82 Cb 0.04 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 3i6p h LEU 82 CO 0.00 0.81 -0.44 -0.33 -1.08 0.00 0.00 178.44 177.41 3i6p h GLU 83 N 0.16 0.42 -0.63 1.13 5.08 -1.69 0.33 114.58 119.38 3i6p h GLU 83 Ca -0.01 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3i6p h GLU 83 Cb 1.14 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 3i6p h GLU 83 CO 0.10 0.78 0.41 0.93 -1.00 0.00 0.00 179.01 180.23 3i6p h GLU 84 N 0.34 0.79 0.00 2.33 5.08 -1.66 -3.33 114.58 118.13 3i6p h GLU 84 Ca 0.03 -0.05 -0.29 0.00 -1.00 0.00 0.00 59.36 58.05 3i6p h GLU 84 Cb 0.91 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 3i6p h GLU 84 CO 0.08 0.52 -2.09 0.28 -1.00 0.00 0.00 179.01 176.80 3i6p n VAL 85 N -4.45 1.09 -4.34 3.13 0.31 -0.91 -5.00 118.33 108.17 3i6p n VAL 85 Ca 0.07 -0.57 -0.26 0.00 -0.01 0.00 0.00 64.34 63.56 3i6p n VAL 85 Cb 0.07 -0.83 -0.10 0.00 -0.91 0.00 0.00 33.84 32.08 3i6p n VAL 85 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3i6p s PHE 86 N -2.38 2.54 -1.37 3.52 0.40 0.11 -5.05 117.98 115.75 3i6p s PHE 86 Ca -0.15 -0.26 -0.09 0.00 -0.60 0.00 0.00 56.93 55.82 3i6p s PHE 86 Cb 0.05 -1.22 0.10 0.00 0.51 0.00 0.00 43.02 42.47 3i6p s PHE 86 CO 0.57 0.54 2.19 -0.35 0.70 0.00 0.00 175.22 178.87 3i6p n PRO 87 N -0.06 3.71 0.00 0.24 -0.04 -1.26 -4.41 135.00 133.18 3i6p n PRO 87 Ca -0.10 -3.17 0.06 0.00 -0.04 0.00 0.00 63.50 60.24 3i6p n PRO 87 Cb 0.56 -2.91 -0.04 0.00 -0.04 0.00 0.00 33.50 31.08 3i6p n PRO 87 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3i6p n ILE 88 N 3.32 0.00 -2.34 0.52 -5.35 -1.26 -4.55 119.36 109.69 3i6p n ILE 88 Ca 0.52 -0.29 -0.24 0.00 -0.27 0.00 0.00 62.75 62.46 3i6p n ILE 88 Cb 0.32 1.07 0.06 0.00 -1.74 0.00 0.00 39.64 39.35 3i6p n ILE 88 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3i6p s GLY 89 N -1.86 1.72 0.00 3.28 0.00 -1.26 -4.87 107.32 104.34 3i6p s GLY 89 Ca 0.07 -1.03 0.28 0.00 0.00 0.00 0.00 44.72 44.04 3i6p s GLY 89 CO 0.40 -0.67 1.77 1.04 0.00 0.00 0.00 173.10 175.64