#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 3.69 0.85 2.12 0.41 -1.26 -4.90 118.70 119.62 3i6p s GLU 2 Ca 0.00 1.67 -0.11 0.00 -0.41 0.00 0.00 54.97 56.12 3i6p s GLU 2 Cb 0.00 -2.28 0.10 0.00 -1.78 0.00 0.00 34.13 30.17 3i6p s GLU 2 CO 0.00 -0.58 1.09 0.00 -0.49 0.00 0.00 175.26 175.28 3i6p s ALA 3 N -1.65 1.79 -0.11 5.21 0.00 0.13 -4.36 121.76 122.77 3i6p s ALA 3 Ca 0.66 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.66 3i6p s ALA 3 Cb -0.26 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.67 3i6p s ALA 3 CO 0.31 -2.15 -0.15 -1.17 0.00 0.00 0.00 175.76 172.60 3i6p s LEU 4 N -6.11 1.74 0.01 0.00 2.96 -0.69 -2.49 118.68 114.11 3i6p s LEU 4 Ca 0.63 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 3i6p s LEU 4 Cb -0.17 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.36 3i6p s LEU 4 CO 0.57 0.01 0.02 -0.83 -1.32 0.00 0.00 176.35 174.80 3i6p s GLY 5 N 1.04 1.92 -0.09 7.98 0.00 0.06 -0.74 107.32 117.50 3i6p s GLY 5 Ca -0.05 -0.95 -0.19 0.00 0.00 0.00 0.00 44.72 43.53 3i6p s GLY 5 CO -0.03 -0.84 0.45 -3.16 0.00 0.00 0.00 173.10 169.52 3i6p s MET 6 N -1.71 0.70 -0.02 2.90 0.23 -0.26 -0.36 119.30 120.78 3i6p s MET 6 Ca 0.21 0.24 0.04 0.00 -1.03 0.00 0.00 55.69 55.15 3i6p s MET 6 Cb -0.12 0.33 -0.01 0.00 -1.53 0.00 0.00 34.83 33.50 3i6p s MET 6 CO 0.12 -0.17 -0.14 0.42 -2.03 0.00 0.00 175.02 173.23 3i6p s ILE 7 N -0.67 1.09 -0.07 3.16 1.01 -0.65 -1.79 121.20 123.28 3i6p s ILE 7 Ca -0.08 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.04 3i6p s ILE 7 Cb -0.03 -0.92 -0.00 0.00 0.01 0.00 0.00 42.46 41.52 3i6p s ILE 7 CO 0.04 0.31 -0.20 -0.70 0.00 0.00 0.00 174.94 174.39 3i6p s GLU 8 N -0.20 2.27 0.21 2.79 2.12 0.32 -0.47 118.70 125.74 3i6p s GLU 8 Ca 0.03 -0.71 0.08 0.00 0.36 0.00 0.00 54.97 54.73 3i6p s GLU 8 Cb -0.07 -1.86 -0.05 0.00 0.26 0.00 0.00 34.13 32.42 3i6p s GLU 8 CO -0.00 0.22 -0.15 0.95 -0.54 0.00 0.00 175.26 175.74 3i6p s THR 9 N 0.18 1.77 -0.81 -1.70 -4.23 -0.11 0.27 115.64 111.00 3i6p s THR 9 Ca -0.10 -2.21 -0.14 0.00 -1.18 0.00 0.00 61.69 58.07 3i6p s THR 9 Cb -0.14 -2.04 0.22 0.00 1.34 0.00 0.00 72.50 71.87 3i6p s THR 9 CO 0.05 -0.58 0.75 -0.60 -0.54 0.00 0.00 174.62 173.70 3i6p s ARG 10 N -3.60 3.57 0.00 3.99 3.52 0.18 -1.24 118.95 125.37 3i6p s ARG 10 Ca 0.22 -2.43 0.00 0.00 -0.13 0.00 0.00 55.73 53.39 3i6p s ARG 10 Cb -0.01 -4.42 0.00 0.00 -1.56 0.00 0.00 34.95 28.96 3i6p s ARG 10 CO 0.07 -1.29 0.00 0.41 -0.81 0.00 0.00 175.30 173.68 3i6p n GLY 11 N 4.02 3.77 0.19 8.12 0.00 -0.69 -4.27 105.19 116.33 3i6p n GLY 11 Ca 0.13 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 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 0.47 -0.50 0.99 5.85 -1.91 -3.02 115.31 117.18 3i6p h LEU 12 Ca 0.00 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 3i6p h LEU 12 Cb 0.00 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3i6p h LEU 12 CO 0.00 0.96 0.12 0.58 -0.34 0.00 0.00 178.44 179.76 3i6p h VAL 13 N 0.31 1.24 -0.49 1.05 2.07 -1.99 -0.86 116.25 117.58 3i6p h VAL 13 Ca -0.01 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.67 3i6p h VAL 13 Cb 1.14 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3i6p h VAL 13 CO 0.10 0.31 0.32 0.00 0.02 0.00 0.00 177.57 178.33 3i6p h ALA 14 N 0.99 1.67 -0.39 1.67 0.00 -1.88 -2.25 119.26 119.07 3i6p h ALA 14 Ca 0.16 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3i6p h ALA 14 Cb 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3i6p h ALA 14 CO 0.00 0.30 -0.32 1.25 0.00 0.00 0.00 179.25 180.48 3i6p h LEU 15 N 0.65 0.96 -0.42 0.00 5.85 -1.21 -0.44 115.31 120.69 3i6p h LEU 15 Ca 0.18 -0.45 -0.09 0.00 0.84 0.00 0.00 57.88 58.36 3i6p h LEU 15 Cb -0.05 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.70 3i6p h LEU 15 CO -0.04 1.21 -0.10 0.40 -0.34 0.00 0.00 178.44 179.57 3i6p h ILE 16 N 0.72 1.27 -0.44 4.05 2.04 -0.94 0.15 117.51 124.36 3i6p h ILE 16 Ca 0.07 -1.19 -0.02 0.00 1.00 0.00 0.00 64.86 64.71 3i6p h ILE 16 Cb 0.91 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3i6p h ILE 16 CO 0.08 0.40 0.19 -0.08 0.00 0.00 0.00 178.15 178.75 3i6p h GLU 17 N 0.63 0.65 -0.53 2.37 4.57 -1.41 -1.35 114.58 119.51 3i6p h GLU 17 Ca 0.11 -0.11 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 3i6p h GLU 17 Cb 0.63 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.06 3i6p h GLU 17 CO 0.04 0.58 0.27 0.00 -1.18 0.00 0.00 179.01 178.72 3i6p h ALA 18 N 1.04 0.69 -0.52 2.92 0.00 -0.89 -1.88 119.26 120.62 3i6p h ALA 18 Ca 0.15 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3i6p h ALA 18 Cb 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3i6p h ALA 18 CO -0.02 -0.07 -0.04 0.77 0.00 0.00 0.00 179.25 179.89 3i6p h SER 19 N 0.52 0.89 -0.48 0.00 0.02 -0.47 -0.22 113.55 113.81 3i6p h SER 19 Ca 0.24 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3i6p h SER 19 Cb 0.15 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 3i6p h SER 19 CO -0.17 0.97 0.19 -0.78 -1.14 0.00 0.00 176.83 175.91 3i6p h ASP 20 N 0.83 0.67 -0.61 3.07 3.58 -1.07 -2.19 116.42 120.69 3i6p h ASP 20 Ca 0.15 -0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.37 3i6p h ASP 20 Cb 0.55 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 3i6p h ASP 20 CO 0.03 0.65 0.15 0.00 -2.88 0.00 0.00 179.24 177.20 3i6p h ALA 21 N 1.04 1.07 0.54 -0.78 0.00 -1.05 -2.54 119.26 117.54 3i6p h ALA 21 Ca 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3i6p h ALA 21 Cb 0.19 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3i6p h ALA 21 CO -0.01 0.62 -0.31 0.52 0.00 0.00 0.00 179.25 180.06 3i6p h MET 22 N 0.96 -0.78 0.00 0.00 2.86 -0.81 -1.20 114.93 115.96 3i6p h MET 22 Ca 0.20 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 3i6p h MET 22 Cb 0.34 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3i6p h MET 22 CO 0.00 -0.52 0.00 1.33 1.06 0.00 0.00 176.91 178.78 3i6p n VAL 23 N -5.45 0.82 0.04 -2.22 0.24 -0.84 -2.07 118.33 108.84 3i6p n VAL 23 Ca -0.12 0.18 0.08 0.00 -2.04 0.00 0.00 64.34 62.44 3i6p n VAL 23 Cb 0.35 -1.01 -0.09 0.00 -1.47 0.00 0.00 33.84 31.62 3i6p n VAL 23 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i6p n LYS 24 N -1.92 0.63 0.04 7.34 5.02 -0.96 -4.46 118.16 123.85 3i6p n LYS 24 Ca 0.03 0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.18 3i6p n LYS 24 Cb 0.23 -1.69 -0.14 0.00 -0.02 0.00 0.00 35.03 33.41 3i6p n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i6p h ALA 25 N 1.83 0.39 -2.79 7.82 0.00 -0.64 -3.48 119.26 122.39 3i6p h ALA 25 Ca -0.07 -1.20 -0.09 0.00 0.00 0.00 0.00 54.91 53.55 3i6p h ALA 25 Cb 1.19 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 19.24 3i6p h ALA 25 CO 0.01 1.25 -0.20 0.00 0.00 0.00 0.00 179.25 180.31 3i6p s ALA 26 N -2.61 -0.01 -1.10 0.00 0.00 -1.11 -4.79 121.76 112.14 3i6p s ALA 26 Ca -0.10 -1.01 -0.22 0.00 0.00 0.00 0.00 51.96 50.64 3i6p s ALA 26 Cb 0.07 1.12 0.05 0.00 0.00 0.00 0.00 23.12 24.36 3i6p s ALA 26 CO 0.83 -0.81 1.55 0.50 0.00 0.00 0.00 175.76 177.84 3i6p s ARG 27 N -4.04 3.66 0.05 0.00 3.52 -1.26 -4.59 118.95 116.29 3i6p s ARG 27 Ca 0.25 -1.35 0.04 0.00 -0.13 0.00 0.00 55.73 54.54 3i6p s ARG 27 Cb 0.01 -5.40 -0.03 0.00 -1.56 0.00 0.00 34.95 27.97 3i6p s ARG 27 CO 0.09 -2.28 -0.11 0.14 -0.81 0.00 0.00 175.30 172.33 3i6p s VAL 28 N 5.00 0.80 -0.19 7.11 -7.23 -1.26 -4.58 120.40 120.05 3i6p s VAL 28 Ca 0.49 -1.15 -0.07 0.00 -1.81 0.00 0.00 61.98 59.44 3i6p s VAL 28 Cb 0.01 -0.81 -0.04 0.00 0.56 0.00 0.00 36.38 36.10 3i6p s VAL 28 CO -0.04 -0.29 0.05 -0.75 -0.31 0.00 0.00 175.10 173.76 3i6p s LYS 29 N -1.59 3.89 -0.53 4.82 2.47 -0.26 -4.76 119.74 123.77 3i6p s LYS 29 Ca -0.06 -0.39 -0.28 0.00 -1.56 0.00 0.00 55.97 53.68 3i6p s LYS 29 Cb -0.10 -3.21 0.02 0.00 -1.46 0.00 0.00 37.83 33.08 3i6p s LYS 29 CO 0.01 0.18 1.35 -1.17 0.16 0.00 0.00 175.35 175.89 3i6p s LEU 30 N 0.61 3.47 -0.21 5.43 2.96 -1.26 -1.22 118.68 128.45 3i6p s LEU 30 Ca 0.03 0.38 0.15 0.00 -0.22 0.00 0.00 54.13 54.47 3i6p s LEU 30 Cb -0.13 -3.22 -0.24 0.00 0.50 0.00 0.00 46.19 43.10 3i6p s LEU 30 CO 0.02 -1.58 0.02 1.33 -1.32 0.00 0.00 176.35 174.82 3i6p n VAL 31 N 6.88 1.41 -3.62 1.68 0.24 0.02 -4.99 118.33 119.94 3i6p n VAL 31 Ca 0.13 -0.81 -0.14 0.00 -2.04 0.00 0.00 64.34 61.47 3i6p n VAL 31 Cb 0.49 -0.62 -0.06 0.00 -1.47 0.00 0.00 33.84 32.17 3i6p n VAL 31 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3i6p s GLY 32 N -5.66 -0.36 -0.05 7.63 0.00 -1.14 -4.93 107.32 102.80 3i6p s GLY 32 Ca -0.14 0.57 0.03 0.00 0.00 0.00 0.00 44.72 45.18 3i6p s GLY 32 CO 0.79 0.29 -0.13 0.14 0.00 0.00 0.00 173.10 174.20 3i6p s VAL 33 N -2.08 1.14 -0.00 1.40 1.01 -1.26 -0.66 120.40 119.94 3i6p s VAL 33 Ca -0.07 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.45 3i6p s VAL 33 Cb -0.01 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 3i6p s VAL 33 CO 0.01 0.35 -0.16 -0.54 0.00 0.00 0.00 175.10 174.75 3i6p s LYS 34 N 0.46 1.29 -0.04 2.72 -0.14 -0.28 -4.97 119.74 118.78 3i6p s LYS 34 Ca -0.11 -0.63 0.05 0.00 -1.36 0.00 0.00 55.97 53.92 3i6p s LYS 34 Cb -0.14 -1.27 -0.02 0.00 -1.68 0.00 0.00 37.83 34.72 3i6p s LYS 34 CO 0.03 0.34 -0.19 -0.65 -0.76 0.00 0.00 175.35 174.13 3i6p s GLN 35 N -0.52 2.38 -0.02 1.68 -0.21 -1.26 -0.75 119.66 120.96 3i6p s GLN 35 Ca 0.06 -0.78 0.02 0.00 0.02 0.00 0.00 55.36 54.68 3i6p s GLN 35 Cb -0.07 -2.26 0.03 0.00 1.00 0.00 0.00 33.01 31.72 3i6p s GLN 35 CO -0.00 0.59 0.85 0.44 -2.12 0.00 0.00 175.29 175.05 3i6p n ILE 36 N 2.38 0.70 0.00 1.08 -5.35 -0.98 -5.04 119.36 112.15 3i6p n ILE 36 Ca -0.17 -0.74 0.00 0.00 -0.27 0.00 0.00 62.75 61.57 3i6p n ILE 36 Cb 0.52 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 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 -0.41 -0.38 2.66 3.28 0.00 -1.26 -4.92 105.19 104.17 3i6p n GLY 37 Ca 0.02 -1.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.40 1.71 2.25 -0.02 0.00 -1.26 -2.10 105.19 105.38 3i6p n GLY 38 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.22 0.85 3.70 -0.02 0.00 -1.26 -4.99 105.19 103.25 3i6p n GLY 39 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 4.22 0.03 0.99 1.43 -0.89 -1.71 118.68 122.76 3i6p s LEU 40 Ca 0.00 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 53.88 3i6p s LEU 40 Cb 0.00 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 3i6p s LEU 40 CO 0.00 -0.07 -0.06 0.00 0.23 0.00 0.00 176.35 176.45 3i6p s THR 42 N -1.37 1.16 -0.08 0.00 2.01 0.07 -0.94 115.64 116.49 3i6p s THR 42 Ca -0.12 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.37 3i6p s THR 42 Cb -0.10 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 3i6p s THR 42 CO -0.00 0.35 -0.17 0.00 -0.69 0.00 0.00 174.62 174.11 3i6p s ALA 43 N 0.30 2.51 -0.10 7.40 0.00 0.38 -1.13 121.76 131.13 3i6p s ALA 43 Ca -0.07 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 50.95 3i6p s ALA 43 Cb -0.12 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 3i6p s ALA 43 CO 0.02 0.42 -0.22 -1.64 0.00 0.00 0.00 175.76 174.34 3i6p s MET 44 N -0.22 3.00 0.17 0.00 -1.94 0.16 -1.63 119.30 118.84 3i6p s MET 44 Ca -0.00 -0.84 0.09 0.00 -1.71 0.00 0.00 55.69 53.23 3i6p s MET 44 Cb -0.13 -2.34 -0.04 0.00 2.01 0.00 0.00 34.83 34.33 3i6p s MET 44 CO 0.03 0.24 -0.20 0.14 -0.01 0.00 0.00 175.02 175.22 3i6p s VAL 45 N 0.21 1.99 0.09 -6.03 -7.23 0.51 -0.79 120.40 109.13 3i6p s VAL 45 Ca -0.13 -1.95 0.09 0.00 -1.81 0.00 0.00 61.98 58.17 3i6p s VAL 45 Cb -0.17 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 3i6p s VAL 45 CO 0.07 -0.25 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.24 3i6p s ARG 46 N -2.75 1.36 0.00 4.82 1.81 -0.36 -0.76 118.95 123.08 3i6p s ARG 46 Ca 0.17 -1.16 0.00 0.00 -1.72 0.00 0.00 55.73 53.02 3i6p s ARG 46 Cb -0.06 -1.65 0.00 0.00 -0.45 0.00 0.00 34.95 32.79 3i6p s ARG 46 CO 0.08 0.40 0.00 0.41 -0.68 0.00 0.00 175.30 175.51 3i6p n GLY 47 N 1.31 -1.14 3.83 -3.53 0.00 -1.04 -1.10 105.19 103.52 3i6p n GLY 47 Ca -0.18 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 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 -4.00 4.76 0.13 1.61 3.84 -1.26 0.21 116.67 121.96 3i6p s ASP 48 Ca 0.00 1.20 -0.22 0.00 -0.00 0.00 0.00 52.55 53.53 3i6p s ASP 48 Cb 0.00 -1.94 -0.01 0.00 -1.38 0.00 0.00 42.92 39.59 3i6p s ASP 48 CO 0.00 -1.78 1.67 0.58 -0.00 0.00 0.00 175.17 175.63 3i6p h VAL 49 N -0.96 0.58 -0.85 2.11 2.07 -1.93 -0.88 116.25 116.40 3i6p h VAL 49 Ca -0.46 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.13 3i6p h VAL 49 Cb 1.27 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 3i6p h VAL 49 CO 0.61 0.00 0.51 0.00 0.02 0.00 0.00 177.57 178.71 3i6p h ALA 50 N 0.88 1.19 -0.13 1.67 0.00 -1.99 -0.59 119.26 120.29 3i6p h ALA 50 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3i6p h ALA 50 Cb 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3i6p h ALA 50 CO -0.25 0.19 0.02 0.00 0.00 0.00 0.00 179.25 179.22 3i6p h ALA 51 N 1.43 0.18 -0.18 0.00 0.00 -1.67 -1.03 119.26 117.99 3i6p h ALA 51 Ca 0.39 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3i6p h ALA 51 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3i6p h ALA 51 CO -0.21 -0.17 -0.08 0.00 0.00 0.00 0.00 179.25 178.79 3i6p h LYS 53 N 0.26 -0.08 -0.13 0.00 3.11 -0.96 -1.26 116.57 117.50 3i6p h LYS 53 Ca 0.06 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.94 3i6p h LYS 53 Cb 0.31 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.52 3i6p h LYS 53 CO 0.02 0.38 -0.08 0.00 -2.81 0.00 0.00 179.45 176.96 3i6p h ALA 54 N 0.29 0.02 0.07 5.00 0.00 -0.99 -1.29 119.26 122.36 3i6p h ALA 54 Ca -0.01 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3i6p h ALA 54 Cb 0.50 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3i6p h ALA 54 CO 0.01 -0.53 -0.24 0.00 0.00 0.00 0.00 179.25 178.49 3i6p h ALA 55 N 1.02 -0.38 -0.20 0.00 0.00 -0.72 -1.62 119.26 117.36 3i6p h ALA 55 Ca 0.08 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3i6p h ALA 55 Cb 0.20 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3i6p h ALA 55 CO -0.18 -0.77 -0.31 1.79 0.00 0.00 0.00 179.25 179.78 3i6p h THR 56 N -0.42 1.28 0.13 0.00 1.35 -1.15 0.19 112.91 114.29 3i6p h THR 56 Ca 0.04 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 3i6p h THR 56 Cb 0.47 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 3i6p h THR 56 CO -0.17 0.42 -0.10 0.44 -0.25 0.00 0.00 175.52 175.86 3i6p h ASP 57 N 0.35 -0.26 -0.00 5.36 3.32 -1.06 0.10 116.42 124.23 3i6p h ASP 57 Ca 0.05 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3i6p h ASP 57 Cb 0.73 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 3i6p h ASP 57 CO 0.06 -0.16 0.00 0.00 -1.72 0.00 0.00 179.24 177.42 3i6p h ALA 58 N 0.63 0.00 -0.77 3.45 0.00 -1.04 -2.39 119.26 119.13 3i6p h ALA 58 Ca -0.00 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.00 3i6p h ALA 58 Cb 0.22 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 3i6p h ALA 58 CO -0.01 -0.48 0.39 0.78 0.00 0.00 0.00 179.25 179.93 3i6p h GLY 59 N -0.03 1.19 0.90 0.00 0.00 -0.57 -1.26 103.07 103.29 3i6p h GLY 59 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3i6p h GLY 59 CO -0.00 0.04 0.07 0.00 0.00 0.00 0.00 176.54 176.64 3i6p h ALA 60 N 1.48 0.41 -0.20 3.60 0.00 -0.51 -1.60 119.26 122.44 3i6p h ALA 60 Ca 0.39 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3i6p h ALA 60 Cb 0.46 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3i6p h ALA 60 CO -0.30 0.08 0.08 0.00 0.00 0.00 0.00 179.25 179.11 3i6p h ALA 61 N 0.90 0.22 -0.88 0.00 0.00 -1.29 -2.58 119.26 115.64 3i6p h ALA 61 Ca 0.10 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3i6p h ALA 61 Cb 0.31 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3i6p h ALA 61 CO 0.00 -0.35 0.56 0.00 0.00 0.00 0.00 179.25 179.46 3i6p h ALA 62 N 1.12 1.20 -0.00 0.00 0.00 -1.04 -3.00 119.26 117.54 3i6p h ALA 62 Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i6p h ALA 62 Cb 0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3i6p h ALA 62 CO -0.08 0.34 -0.00 0.00 0.00 0.00 0.00 179.25 179.51 3i6p h ALA 63 N 1.40 0.00 0.00 0.00 0.00 -1.16 -3.20 119.26 116.30 3i6p h ALA 63 Ca 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3i6p h ALA 63 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3i6p h ALA 63 CO -0.16 -0.33 0.00 0.37 0.00 0.00 0.00 179.25 179.13 3i6p h GLN 64 N -0.34 0.00 -0.93 0.00 5.75 -1.39 0.12 115.11 118.32 3i6p h GLN 64 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3i6p h GLN 64 Cb 0.34 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.85 3i6p h GLN 64 CO 0.00 0.00 0.56 0.00 -2.65 0.00 0.00 178.83 176.74 3i6p h ARG 65 N 0.00 1.26 0.00 1.69 3.08 -1.52 -3.35 114.38 115.54 3i6p h ARG 65 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3i6p h ARG 65 Cb 0.58 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3i6p h ARG 65 CO 0.00 0.88 -0.72 0.44 -1.07 0.00 0.00 179.97 179.50 3i6p n ILE 66 N -4.37 0.00 -2.20 2.04 -5.35 -0.76 -5.09 119.36 103.63 3i6p n ILE 66 Ca 0.10 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 3i6p n ILE 66 Cb 0.06 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 38.70 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 1.53 2.74 3.46 3.28 0.00 0.33 -4.86 105.19 111.67 3i6p n GLY 67 Ca 0.00 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 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 0.58 3.48 -0.05 1.61 2.12 -1.26 -4.04 118.70 121.15 3i6p s GLU 68 Ca 0.00 -0.61 -0.29 0.00 0.36 0.00 0.00 54.97 54.43 3i6p s GLU 68 Cb 0.00 -3.51 -0.02 0.00 0.26 0.00 0.00 34.13 30.85 3i6p s GLU 68 CO 0.00 -0.33 0.94 -1.17 -0.54 0.00 0.00 175.26 174.15 3i6p s LEU 69 N 1.63 4.31 -0.24 2.70 2.96 -1.26 -0.64 118.68 128.13 3i6p s LEU 69 Ca 0.05 1.51 -0.16 0.00 -0.22 0.00 0.00 54.13 55.32 3i6p s LEU 69 Cb -0.16 -3.47 -0.12 0.00 0.50 0.00 0.00 46.19 42.93 3i6p s LEU 69 CO 0.06 -0.31 -0.22 0.52 -1.32 0.00 0.00 176.35 175.08 3i6p n VAL 70 N 4.15 1.52 -3.75 1.68 0.31 0.14 -4.88 118.33 117.50 3i6p n VAL 70 Ca 0.06 -0.21 -0.13 0.00 -0.01 0.00 0.00 64.34 64.04 3i6p n VAL 70 Cb 0.50 -2.00 -0.10 0.00 -0.91 0.00 0.00 33.84 31.33 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 -7.07 -0.32 -0.01 4.52 0.01 -0.76 -4.98 113.70 105.09 3i6p s SER 71 Ca -0.34 0.49 0.01 0.00 1.31 0.00 0.00 55.95 57.42 3i6p s SER 71 Cb 0.11 0.58 0.01 0.00 0.21 0.00 0.00 66.02 66.93 3i6p s SER 71 CO 0.49 -0.25 -0.03 0.54 0.41 0.00 0.00 173.24 174.40 3i6p s VAL 72 N -0.39 0.26 -0.18 3.43 0.11 -1.26 -0.52 120.40 121.84 3i6p s VAL 72 Ca -0.05 -0.08 -0.28 0.00 -2.93 0.00 0.00 61.98 58.64 3i6p s VAL 72 Cb -0.03 -0.26 0.10 0.00 -1.53 0.00 0.00 36.38 34.65 3i6p s VAL 72 CO 0.02 0.10 0.85 -2.28 -3.33 0.00 0.00 175.10 170.46 3i6p s HIS 73 N 0.27 -0.57 -0.08 1.54 2.46 -0.74 -5.03 115.29 113.13 3i6p s HIS 73 Ca -0.02 1.19 0.03 0.00 0.47 0.00 0.00 55.06 56.72 3i6p s HIS 73 Cb -0.05 0.38 -0.02 0.00 -0.13 0.00 0.00 32.58 32.75 3i6p s HIS 73 CO -0.01 -0.41 -0.15 0.08 -2.47 0.00 0.00 174.74 171.79 3i6p s VAL 74 N -0.51 2.94 -0.38 0.89 1.01 -1.26 -1.11 120.40 121.99 3i6p s VAL 74 Ca -0.03 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 3i6p s VAL 74 Cb -0.02 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.25 3i6p s VAL 74 CO 0.02 0.57 0.19 -0.63 0.00 0.00 0.00 175.10 175.25 3i6p s ILE 75 N -0.31 3.95 0.35 2.22 1.01 0.08 -5.00 121.20 123.50 3i6p s ILE 75 Ca 0.02 -1.35 0.04 0.00 0.00 0.00 0.00 60.65 59.37 3i6p s ILE 75 Cb -0.13 -3.37 0.28 0.00 0.01 0.00 0.00 42.46 39.26 3i6p s ILE 75 CO 0.03 -0.38 1.98 -0.65 0.00 0.00 0.00 174.94 175.91 3i6p h PRO 76 N 8.29 0.79 -2.04 2.79 0.11 -1.94 -1.83 132.00 138.17 3i6p h PRO 76 Ca -0.22 -0.05 -0.56 0.00 0.11 0.00 0.00 66.00 65.28 3i6p h PRO 76 Cb 1.08 -0.18 -0.38 0.00 0.11 0.00 0.00 31.00 31.63 3i6p h PRO 76 CO 0.68 0.52 -1.06 0.54 -0.21 0.00 0.00 178.00 178.47 3i6p n ARG 77 N -4.46 0.58 -2.07 1.05 1.74 -1.26 -3.57 116.66 108.67 3i6p n ARG 77 Ca 0.09 -3.17 -0.41 0.00 -0.77 0.00 0.00 57.85 53.58 3i6p n ARG 77 Cb 0.14 -1.33 -0.02 0.00 -1.02 0.00 0.00 32.46 30.23 3i6p n ARG 77 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i6p s PRO 78 N -0.83 4.31 0.59 5.56 0.04 -1.26 -4.97 135.00 138.44 3i6p s PRO 78 Ca 0.34 2.24 -0.19 0.00 0.04 0.00 0.00 61.00 63.43 3i6p s PRO 78 Cb 0.14 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 3i6p s PRO 78 CO -0.13 -0.33 1.26 -1.58 0.04 0.00 0.00 177.00 176.25 3i6p s HIS 79 N -0.29 2.31 0.34 0.56 2.46 -1.26 -4.93 115.29 114.48 3i6p s HIS 79 Ca 0.56 1.48 0.04 0.00 0.47 0.00 0.00 55.06 57.62 3i6p s HIS 79 Cb -0.40 -3.59 0.66 0.00 -0.13 0.00 0.00 32.58 29.12 3i6p s HIS 79 CO 0.45 -2.50 1.93 0.78 -2.47 0.00 0.00 174.74 172.93 3i6p h GLY 80 N 0.94 1.13 1.07 1.59 0.00 -2.03 -2.24 103.07 103.53 3i6p h GLY 80 Ca -0.51 -0.35 0.13 0.00 0.00 0.00 0.00 47.33 46.61 3i6p h GLY 80 CO 0.55 0.24 0.34 -0.55 0.00 0.00 0.00 176.54 177.12 3i6p h ASP 81 N 0.86 0.00 -0.69 0.19 5.19 -2.02 -1.86 116.42 118.09 3i6p h ASP 81 Ca 0.36 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.76 3i6p h ASP 81 Cb 0.28 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.76 3i6p h ASP 81 CO -0.13 0.00 0.40 -0.07 -3.12 0.00 0.00 179.24 176.31 3i6p h LEU 82 N 0.00 0.85 -1.76 1.55 4.07 -1.77 -2.60 115.31 115.65 3i6p h LEU 82 Ca 0.22 -0.06 -0.03 0.00 0.08 0.00 0.00 57.88 58.09 3i6p h LEU 82 Cb 0.89 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.41 3i6p h LEU 82 CO -0.00 0.68 -0.13 -0.33 -1.08 0.00 0.00 178.44 177.57 3i6p h GLU 83 N 0.97 0.00 0.00 1.13 5.08 -1.50 0.28 114.58 120.55 3i6p h GLU 83 Ca 0.25 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 3i6p h GLU 83 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3i6p h GLU 83 CO -0.04 0.13 -0.54 1.05 -1.00 0.00 0.00 179.01 178.60 3i6p h GLU 84 N 0.00 0.00 0.00 2.33 4.11 -1.56 -3.37 114.58 116.09 3i6p h GLU 84 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 3i6p h GLU 84 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3i6p h GLU 84 CO 0.02 0.23 -1.47 0.28 0.07 0.00 0.00 179.01 178.14 3i6p n VAL 85 N -3.05 0.17 -4.41 -1.06 0.31 -1.08 -5.02 118.33 104.19 3i6p n VAL 85 Ca 0.01 -0.25 -0.24 0.00 -0.01 0.00 0.00 64.34 63.84 3i6p n VAL 85 Cb 0.65 -0.01 -0.11 0.00 -0.91 0.00 0.00 33.84 33.46 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 -2.51 2.15 -1.10 3.52 0.40 0.97 -5.05 117.98 116.35 3i6p s PHE 86 Ca -0.04 -0.39 -0.07 0.00 -0.60 0.00 0.00 56.93 55.83 3i6p s PHE 86 Cb 0.05 -1.02 -0.05 0.00 0.51 0.00 0.00 43.02 42.51 3i6p s PHE 86 CO 0.37 0.51 2.92 -0.35 0.70 0.00 0.00 175.22 179.37 3i6p n PRO 87 N -0.02 3.47 0.00 0.24 -0.04 -1.26 -4.48 135.00 132.91 3i6p n PRO 87 Ca -0.10 -2.32 0.06 0.00 -0.04 0.00 0.00 63.50 61.10 3i6p n PRO 87 Cb 0.58 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 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 2.56 0.00 -2.63 0.52 -5.35 -1.26 -4.13 119.36 109.07 3i6p n ILE 88 Ca 0.64 -0.39 -0.24 0.00 -0.27 0.00 0.00 62.75 62.50 3i6p n ILE 88 Cb 0.41 1.16 0.12 0.00 -1.74 0.00 0.00 39.64 39.58 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 -1.51 1.75 0.00 3.28 0.00 -1.26 -4.85 107.32 104.72 3i6p s GLY 89 Ca 0.11 -1.85 0.09 0.00 0.00 0.00 0.00 44.72 43.07 3i6p s GLY 89 CO 0.29 -1.24 0.78 1.04 0.00 0.00 0.00 173.10 173.97