#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 2.94 0.77 3.17 2.02 -1.26 -4.88 118.70 121.45 3i6p s GLU 2 Ca 0.00 1.83 -0.11 0.00 0.02 0.00 0.00 54.97 56.71 3i6p s GLU 2 Cb 0.00 -1.92 0.05 0.00 0.10 0.00 0.00 34.13 32.36 3i6p s GLU 2 CO 0.00 -1.23 1.08 0.00 0.02 0.00 0.00 175.26 175.13 3i6p s ALA 3 N -1.60 2.31 -0.09 5.21 0.00 0.28 -4.54 121.76 123.33 3i6p s ALA 3 Ca 0.78 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.87 3i6p s ALA 3 Cb -0.31 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3i6p s ALA 3 CO 0.33 -1.66 -0.22 -1.17 0.00 0.00 0.00 175.76 173.05 3i6p s LEU 4 N -5.81 2.01 -0.03 0.00 2.96 0.38 -2.32 118.68 115.87 3i6p s LEU 4 Ca 0.60 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 54.04 3i6p s LEU 4 Cb -0.16 -1.31 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 3i6p s LEU 4 CO 0.56 0.14 -0.13 -0.83 -1.32 0.00 0.00 176.35 174.76 3i6p s GLY 5 N 0.40 1.57 -0.01 7.98 0.00 -0.04 0.19 107.32 117.41 3i6p s GLY 5 Ca -0.18 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 43.54 3i6p s GLY 5 CO 0.08 -0.82 -0.04 1.06 0.00 0.00 0.00 173.10 173.38 3i6p s MET 6 N -0.92 0.48 -0.09 2.90 1.00 -0.08 -0.48 119.30 122.11 3i6p s MET 6 Ca 0.13 -0.14 0.04 0.00 0.00 0.00 0.00 55.69 55.72 3i6p s MET 6 Cb -0.11 -0.49 -0.00 0.00 0.00 0.00 0.00 34.83 34.23 3i6p s MET 6 CO 0.02 0.05 -0.24 0.42 0.00 0.00 0.00 175.02 175.27 3i6p s ILE 7 N 0.20 2.09 -0.12 2.53 1.01 -0.73 -1.59 121.20 124.59 3i6p s ILE 7 Ca -0.02 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.62 3i6p s ILE 7 Cb -0.06 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 3i6p s ILE 7 CO -0.00 0.56 -0.14 -0.70 0.00 0.00 0.00 174.94 174.66 3i6p s GLU 8 N 0.21 3.28 0.27 2.79 2.12 0.20 -0.90 118.70 126.67 3i6p s GLU 8 Ca -0.15 -0.71 0.06 0.00 0.36 0.00 0.00 54.97 54.54 3i6p s GLU 8 Cb -0.17 -2.58 -0.06 0.00 0.26 0.00 0.00 34.13 31.59 3i6p s GLU 8 CO 0.08 0.24 -0.05 0.95 -0.54 0.00 0.00 175.26 175.94 3i6p s THR 9 N 0.26 1.52 -0.57 -1.70 -4.23 0.04 -0.35 115.64 110.61 3i6p s THR 9 Ca -0.10 -2.11 -0.10 0.00 -1.18 0.00 0.00 61.69 58.20 3i6p s THR 9 Cb -0.16 -2.42 0.15 0.00 1.34 0.00 0.00 72.50 71.41 3i6p s THR 9 CO 0.06 -0.31 0.46 -0.60 -0.54 0.00 0.00 174.62 173.68 3i6p s ARG 10 N -3.75 2.77 0.00 3.99 3.52 -0.32 -1.39 118.95 123.77 3i6p s ARG 10 Ca 0.29 -2.02 0.00 0.00 -0.13 0.00 0.00 55.73 53.87 3i6p s ARG 10 Cb 0.04 -4.03 0.00 0.00 -1.56 0.00 0.00 34.95 29.40 3i6p s ARG 10 CO 0.11 -1.23 0.00 0.41 -0.81 0.00 0.00 175.30 173.78 3i6p n GLY 11 N 4.53 3.91 0.21 8.12 0.00 -0.70 -4.22 105.19 117.04 3i6p n GLY 11 Ca -0.02 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 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 0.56 -0.60 0.99 5.85 -1.91 -3.22 115.31 116.98 3i6p h LEU 12 Ca 0.00 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 3i6p h LEU 12 Cb 0.00 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3i6p h LEU 12 CO 0.00 0.98 0.29 0.58 -0.34 0.00 0.00 178.44 179.95 3i6p h VAL 13 N 0.39 1.21 -0.03 1.05 2.07 -1.99 -0.26 116.25 118.69 3i6p h VAL 13 Ca 0.01 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3i6p h VAL 13 Cb 1.06 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3i6p h VAL 13 CO 0.10 0.24 0.02 0.00 0.02 0.00 0.00 177.57 177.95 3i6p h ALA 14 N 1.12 2.00 0.23 1.67 0.00 -1.88 -2.02 119.26 120.38 3i6p h ALA 14 Ca 0.21 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.78 3i6p h ALA 14 Cb 0.12 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 17.94 3i6p h ALA 14 CO -0.03 -0.00 -1.45 1.25 0.00 0.00 0.00 179.25 179.03 3i6p h LEU 15 N 0.03 0.86 -0.86 0.00 5.85 -1.23 -0.89 115.31 119.07 3i6p h LEU 15 Ca 0.01 -0.89 0.01 0.00 0.84 0.00 0.00 57.88 57.85 3i6p h LEU 15 Cb 0.02 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 3i6p h LEU 15 CO -0.00 1.70 0.57 0.40 -0.34 0.00 0.00 178.44 180.76 3i6p h ILE 16 N 0.17 1.21 -0.43 4.05 2.04 -0.90 0.28 117.51 123.92 3i6p h ILE 16 Ca -0.25 -0.39 -0.08 0.00 1.00 0.00 0.00 64.86 65.14 3i6p h ILE 16 Cb 2.13 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 3i6p h ILE 16 CO 0.27 0.21 -0.03 -0.08 0.00 0.00 0.00 178.15 178.52 3i6p h GLU 17 N 1.15 0.78 -0.55 2.37 4.57 -1.39 -1.88 114.58 119.63 3i6p h GLU 17 Ca 0.32 -0.26 0.05 0.00 -1.18 0.00 0.00 59.36 58.29 3i6p h GLU 17 Cb -0.11 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.37 3i6p h GLU 17 CO -0.08 0.86 0.29 0.00 -1.18 0.00 0.00 179.01 178.90 3i6p h ALA 18 N 0.89 0.71 -0.43 2.92 0.00 -0.66 -1.13 119.26 121.56 3i6p h ALA 18 Ca 0.12 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3i6p h ALA 18 Cb 0.53 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3i6p h ALA 18 CO 0.03 -0.05 0.21 0.77 0.00 0.00 0.00 179.25 180.20 3i6p h SER 19 N 0.55 0.56 -0.18 0.00 0.02 -0.29 -0.13 113.55 114.08 3i6p h SER 19 Ca 0.24 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3i6p h SER 19 Cb 0.14 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3i6p h SER 19 CO -0.16 0.53 0.12 -0.78 -1.14 0.00 0.00 176.83 175.39 3i6p h ASP 20 N 0.55 0.21 -0.89 3.07 3.58 -1.09 -2.19 116.42 119.66 3i6p h ASP 20 Ca 0.15 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 3i6p h ASP 20 Cb 0.11 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.07 3i6p h ASP 20 CO -0.02 0.17 0.50 0.00 -2.88 0.00 0.00 179.24 177.00 3i6p h ALA 21 N 1.05 1.14 0.57 -0.78 0.00 -1.00 -2.25 119.26 117.99 3i6p h ALA 21 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3i6p h ALA 21 Cb -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3i6p h ALA 21 CO -0.01 0.64 -0.30 0.52 0.00 0.00 0.00 179.25 180.10 3i6p h MET 22 N 1.24 -0.77 0.00 0.00 2.86 -0.78 -0.84 114.93 116.64 3i6p h MET 22 Ca 0.31 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 58.01 3i6p h MET 22 Cb 0.01 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 3i6p h MET 22 CO -0.05 -0.51 -0.00 -0.39 1.06 0.00 0.00 176.91 177.01 3i6p h VAL 23 N -0.80 0.00 0.00 -2.22 -1.51 -1.26 -1.54 116.25 108.93 3i6p h VAL 23 Ca -0.07 -0.47 -0.00 0.00 -1.23 0.00 0.00 66.70 64.93 3i6p h VAL 23 Cb 0.63 1.47 -0.00 0.00 -2.13 0.00 0.00 31.29 31.26 3i6p h VAL 23 CO 0.11 0.00 -0.89 0.11 -1.23 0.00 0.00 177.57 175.67 3i6p h LYS 24 N 0.00 0.00 0.00 5.19 1.57 -1.29 -3.38 116.57 118.66 3i6p h LYS 24 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3i6p h LYS 24 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 3i6p h LYS 24 CO 0.00 0.00 -0.81 0.00 -0.57 0.00 0.00 179.45 178.07 3i6p h ALA 25 N 2.00 0.65 -2.87 3.86 0.00 -0.08 -3.48 119.26 119.33 3i6p h ALA 25 Ca -0.00 -0.58 0.08 0.00 0.00 0.00 0.00 54.91 54.41 3i6p h ALA 25 Cb 1.00 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 3i6p h ALA 25 CO 0.00 0.73 0.29 0.00 0.00 0.00 0.00 179.25 180.26 3i6p s ALA 26 N -2.95 -1.26 -1.35 0.00 0.00 -1.18 -4.71 121.76 110.31 3i6p s ALA 26 Ca 0.02 -0.27 -0.17 0.00 0.00 0.00 0.00 51.96 51.54 3i6p s ALA 26 Cb 0.08 0.80 0.05 0.00 0.00 0.00 0.00 23.12 24.05 3i6p s ALA 26 CO 0.77 -1.04 1.92 -2.13 0.00 0.00 0.00 175.76 175.28 3i6p n ARG 27 N -0.47 3.02 -4.31 0.00 3.00 -1.26 -4.69 116.66 111.94 3i6p n ARG 27 Ca -0.05 -3.00 -0.24 0.00 -0.00 0.00 0.00 57.85 54.56 3i6p n ARG 27 Cb 0.59 -3.42 -0.12 0.00 0.00 0.00 0.00 32.46 29.51 3i6p n ARG 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 3i6p s VAL 28 N 4.01 1.82 -0.18 5.15 -7.23 -1.26 -4.47 120.40 118.24 3i6p s VAL 28 Ca 0.52 -1.66 -0.10 0.00 -1.81 0.00 0.00 61.98 58.93 3i6p s VAL 28 Cb 0.08 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.28 3i6p s VAL 28 CO 0.02 -0.10 0.15 -0.75 -0.31 0.00 0.00 175.10 174.11 3i6p s LYS 29 N -2.14 4.08 -0.60 4.82 2.47 0.29 -4.78 119.74 123.88 3i6p s LYS 29 Ca 0.10 -0.17 -0.28 0.00 -1.56 0.00 0.00 55.97 54.05 3i6p s LYS 29 Cb -0.09 -3.38 0.03 0.00 -1.46 0.00 0.00 37.83 32.92 3i6p s LYS 29 CO 0.05 0.37 1.24 -1.17 0.16 0.00 0.00 175.35 176.01 3i6p s LEU 30 N 0.15 3.40 -0.02 5.43 2.96 -1.26 -1.18 118.68 128.15 3i6p s LEU 30 Ca 0.10 0.06 0.19 0.00 -0.22 0.00 0.00 54.13 54.26 3i6p s LEU 30 Cb -0.11 -3.06 -0.26 0.00 0.50 0.00 0.00 46.19 43.25 3i6p s LEU 30 CO -0.00 -1.57 0.51 1.33 -1.32 0.00 0.00 176.35 175.30 3i6p n VAL 31 N 6.67 0.00 -3.54 1.68 0.24 -0.14 -5.00 118.33 118.23 3i6p n VAL 31 Ca 0.08 -0.32 -0.07 0.00 -2.04 0.00 0.00 64.34 61.99 3i6p n VAL 31 Cb 0.49 0.34 -0.02 0.00 -1.47 0.00 0.00 33.84 33.18 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 -3.73 -0.39 -0.00 7.63 0.00 -1.10 -4.78 107.32 104.94 3i6p s GLY 32 Ca -0.03 1.29 0.00 0.00 0.00 0.00 0.00 44.72 45.98 3i6p s GLY 32 CO 0.77 0.46 -0.00 0.14 0.00 0.00 0.00 173.10 174.47 3i6p s VAL 33 N -2.72 0.03 -0.03 1.40 1.01 -1.26 -0.12 120.40 118.72 3i6p s VAL 33 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.05 3i6p s VAL 33 Cb -0.01 -0.06 0.03 0.00 0.00 0.00 0.00 36.38 36.34 3i6p s VAL 33 CO -0.07 0.03 -0.00 -0.75 0.00 0.00 0.00 175.10 174.31 3i6p s LYS 34 N 0.16 0.32 -0.11 2.72 2.20 0.69 -4.97 119.74 120.76 3i6p s LYS 34 Ca -0.01 0.06 -0.05 0.00 -0.36 0.00 0.00 55.97 55.61 3i6p s LYS 34 Cb -0.02 -0.48 -0.04 0.00 -1.51 0.00 0.00 37.83 35.78 3i6p s LYS 34 CO -0.00 -0.12 0.08 1.14 -0.36 0.00 0.00 175.35 176.08 3i6p s GLN 35 N 0.96 3.25 0.00 4.03 -2.07 -1.26 -0.74 119.66 123.82 3i6p s GLN 35 Ca -0.10 -0.25 0.00 0.00 -1.82 0.00 0.00 55.36 53.19 3i6p s GLN 35 Cb -0.13 -3.02 0.00 0.00 -1.09 0.00 0.00 33.01 28.77 3i6p s GLN 35 CO -0.02 0.74 0.88 0.44 -1.32 0.00 0.00 175.29 176.02 3i6p n ILE 36 N 2.07 0.77 0.00 3.63 -5.35 -0.89 -5.03 119.36 114.56 3i6p n ILE 36 Ca -0.19 -0.79 0.00 0.00 -0.27 0.00 0.00 62.75 61.50 3i6p n ILE 36 Cb 0.54 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 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 -0.38 -0.93 2.28 3.28 0.00 -1.26 -4.92 105.19 103.26 3i6p n GLY 37 Ca 0.00 -1.66 -0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.11 0.38 1.94 -0.02 0.00 -1.26 -2.10 105.19 103.02 3i6p n GLY 38 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.86 0.51 3.72 -0.02 0.00 -1.26 -5.00 105.19 101.27 3i6p n GLY 39 Ca -0.00 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 4.21 0.02 0.99 1.43 -0.89 -1.72 118.68 122.72 3i6p s LEU 40 Ca 0.00 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 3i6p s LEU 40 Cb 0.00 -2.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 3i6p s LEU 40 CO 0.00 0.14 -0.06 0.00 0.23 0.00 0.00 176.35 176.67 3i6p s THR 42 N -0.94 0.94 -0.00 0.00 2.01 0.08 -0.78 115.64 116.95 3i6p s THR 42 Ca -0.07 -0.48 0.06 0.00 0.31 0.00 0.00 61.69 61.52 3i6p s THR 42 Cb -0.07 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 3i6p s THR 42 CO -0.00 0.28 -0.19 0.00 -0.69 0.00 0.00 174.62 174.02 3i6p s ALA 43 N -0.05 2.51 -0.08 7.40 0.00 -0.07 -0.22 121.76 131.25 3i6p s ALA 43 Ca 0.00 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.89 3i6p s ALA 43 Cb -0.07 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.29 3i6p s ALA 43 CO 0.00 0.56 -0.16 -1.64 0.00 0.00 0.00 175.76 174.52 3i6p s MET 44 N -1.00 2.15 0.12 0.00 -1.94 0.83 -1.77 119.30 117.70 3i6p s MET 44 Ca 0.12 -0.57 0.08 0.00 -1.71 0.00 0.00 55.69 53.61 3i6p s MET 44 Cb -0.10 -1.71 -0.04 0.00 2.01 0.00 0.00 34.83 34.99 3i6p s MET 44 CO 0.02 0.08 -0.19 0.14 -0.01 0.00 0.00 175.02 175.06 3i6p s VAL 45 N 0.56 1.67 -0.00 -6.03 -7.23 0.37 -0.97 120.40 108.77 3i6p s VAL 45 Ca -0.16 -1.64 0.07 0.00 -1.81 0.00 0.00 61.98 58.44 3i6p s VAL 45 Cb -0.17 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 3i6p s VAL 45 CO 0.05 -0.17 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.33 3i6p s ARG 46 N -2.19 1.69 0.00 4.82 1.81 -0.33 -0.86 118.95 123.89 3i6p s ARG 46 Ca 0.08 -0.82 0.00 0.00 -1.72 0.00 0.00 55.73 53.27 3i6p s ARG 46 Cb -0.08 -1.67 0.00 0.00 -0.45 0.00 0.00 34.95 32.74 3i6p s ARG 46 CO 0.05 0.45 0.00 0.41 -0.68 0.00 0.00 175.30 175.53 3i6p n GLY 47 N 2.38 0.96 3.74 -3.53 0.00 -0.98 -0.55 105.19 107.20 3i6p n GLY 47 Ca -0.16 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 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 0.70 3.60 0.16 1.61 1.47 -1.26 0.10 116.67 123.05 3i6p s ASP 48 Ca 0.00 1.37 -0.12 0.00 1.18 0.00 0.00 52.55 54.99 3i6p s ASP 48 Cb 0.00 -2.06 0.05 0.00 -0.34 0.00 0.00 42.92 40.57 3i6p s ASP 48 CO 0.00 -2.55 1.65 0.58 0.68 0.00 0.00 175.17 175.53 3i6p h VAL 49 N -1.49 1.25 -0.54 2.11 2.07 -1.92 -1.06 116.25 116.69 3i6p h VAL 49 Ca -0.50 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 65.99 3i6p h VAL 49 Cb 1.29 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3i6p h VAL 49 CO 0.56 0.35 0.07 0.00 0.02 0.00 0.00 177.57 178.58 3i6p h ALA 50 N 0.99 1.11 -0.38 1.67 0.00 -1.99 -1.75 119.26 118.92 3i6p h ALA 50 Ca 0.17 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3i6p h ALA 50 Cb 0.42 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3i6p h ALA 50 CO 0.01 0.58 0.14 0.00 0.00 0.00 0.00 179.25 179.99 3i6p h ALA 51 N 1.26 0.49 -0.20 0.00 0.00 -1.83 -2.32 119.26 116.66 3i6p h ALA 51 Ca 0.17 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3i6p h ALA 51 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3i6p h ALA 51 CO 0.01 0.10 -0.33 0.00 0.00 0.00 0.00 179.25 179.03 3i6p h LYS 53 N 0.36 0.20 -0.34 0.00 3.64 -1.30 0.98 116.57 120.11 3i6p h LYS 53 Ca 0.04 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3i6p h LYS 53 Cb 0.75 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 3i6p h LYS 53 CO 0.06 0.54 0.08 0.00 -2.27 0.00 0.00 179.45 177.86 3i6p h ALA 54 N 0.65 0.45 0.30 5.00 0.00 -1.29 -0.52 119.26 123.85 3i6p h ALA 54 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3i6p h ALA 54 Cb 0.48 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3i6p h ALA 54 CO 0.01 0.12 -0.48 0.00 0.00 0.00 0.00 179.25 178.90 3i6p h ALA 55 N 0.92 -0.98 -0.07 0.00 0.00 -0.50 -1.81 119.26 116.81 3i6p h ALA 55 Ca 0.11 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3i6p h ALA 55 Cb 0.30 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3i6p h ALA 55 CO 0.00 -1.11 -0.27 1.79 0.00 0.00 0.00 179.25 179.67 3i6p h THR 56 N -0.84 1.22 -0.53 0.00 1.35 -0.80 -1.00 112.91 112.32 3i6p h THR 56 Ca -0.02 -1.04 -0.06 0.00 -0.55 0.00 0.00 66.41 64.73 3i6p h THR 56 Cb 0.79 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 3i6p h THR 56 CO -0.17 0.31 0.09 0.44 -0.25 0.00 0.00 175.52 175.94 3i6p h ASP 57 N 0.11 0.84 0.21 5.36 3.32 -0.94 -0.49 116.42 124.83 3i6p h ASP 57 Ca 0.02 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 3i6p h ASP 57 Cb 0.53 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3i6p h ASP 57 CO 0.04 0.89 -0.10 0.00 -1.72 0.00 0.00 179.24 178.34 3i6p h ALA 58 N 0.99 -0.28 -0.79 3.45 0.00 -1.05 -3.01 119.26 118.56 3i6p h ALA 58 Ca 0.16 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3i6p h ALA 58 Cb 0.40 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 3i6p h ALA 58 CO 0.01 -0.53 0.46 0.78 0.00 0.00 0.00 179.25 179.97 3i6p h GLY 59 N -0.53 1.21 0.71 0.00 0.00 -1.15 0.09 103.07 103.38 3i6p h GLY 59 Ca -0.03 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 46.99 3i6p h GLY 59 CO 0.05 0.17 -0.20 0.00 0.00 0.00 0.00 176.54 176.56 3i6p h ALA 60 N 1.42 -0.37 -0.60 3.60 0.00 -1.13 0.59 119.26 122.77 3i6p h ALA 60 Ca 0.37 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3i6p h ALA 60 Cb 0.27 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3i6p h ALA 60 CO -0.21 -0.74 0.29 0.00 0.00 0.00 0.00 179.25 178.59 3i6p h ALA 61 N 0.37 0.77 -0.38 0.00 0.00 -1.35 -0.17 119.26 118.50 3i6p h ALA 61 Ca 0.01 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3i6p h ALA 61 Cb 0.40 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3i6p h ALA 61 CO -0.08 0.33 0.09 0.00 0.00 0.00 0.00 179.25 179.59 3i6p h ALA 62 N 1.12 0.42 -0.38 0.00 0.00 -0.84 -2.63 119.26 116.95 3i6p h ALA 62 Ca 0.21 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3i6p h ALA 62 Cb 0.12 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3i6p h ALA 62 CO -0.03 -0.31 0.15 0.00 0.00 0.00 0.00 179.25 179.07 3i6p h ALA 63 N 1.28 0.49 -0.59 0.00 0.00 -0.41 -2.92 119.26 117.11 3i6p h ALA 63 Ca 0.18 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.08 3i6p h ALA 63 Cb 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3i6p h ALA 63 CO -0.22 0.08 0.40 1.96 0.00 0.00 0.00 179.25 181.47 3i6p h GLN 64 N 0.46 0.28 -0.20 0.00 4.20 -0.87 -0.57 115.11 118.41 3i6p h GLN 64 Ca 0.13 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 3i6p h GLN 64 Cb 0.18 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3i6p h GLN 64 CO -0.01 0.19 -0.16 0.00 -0.67 0.00 0.00 178.83 178.17 3i6p h ARG 65 N 0.29 0.34 0.00 1.46 3.08 -1.26 -3.35 114.38 114.94 3i6p h ARG 65 Ca 0.28 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3i6p h ARG 65 Cb 0.70 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3i6p h ARG 65 CO -0.06 0.50 -0.33 0.44 -1.07 0.00 0.00 179.97 179.45 3i6p n ILE 66 N -4.21 0.00 -1.56 2.04 -5.35 -0.87 -5.10 119.36 104.31 3i6p n ILE 66 Ca -0.00 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 3i6p n ILE 66 Cb 0.32 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.13 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 1.27 3.20 3.42 3.28 0.00 -0.28 -4.83 105.19 111.24 3i6p n GLY 67 Ca 0.00 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 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 1.45 3.30 0.06 1.61 2.12 -1.26 -4.41 118.70 121.56 3i6p s GLU 68 Ca 0.00 -0.74 -0.25 0.00 0.36 0.00 0.00 54.97 54.35 3i6p s GLU 68 Cb 0.00 -3.52 -0.06 0.00 0.26 0.00 0.00 34.13 30.82 3i6p s GLU 68 CO 0.00 -0.41 0.76 -1.17 -0.54 0.00 0.00 175.26 173.89 3i6p s LEU 69 N 1.59 4.47 -0.17 2.70 2.96 -1.26 -1.17 118.68 127.80 3i6p s LEU 69 Ca 0.04 1.46 -0.07 0.00 -0.22 0.00 0.00 54.13 55.35 3i6p s LEU 69 Cb -0.17 -3.22 -0.08 0.00 0.50 0.00 0.00 46.19 43.22 3i6p s LEU 69 CO 0.05 0.06 -0.21 0.52 -1.32 0.00 0.00 176.35 175.45 3i6p n VAL 70 N 2.59 0.94 -3.65 1.68 0.31 0.53 -4.87 118.33 115.86 3i6p n VAL 70 Ca -0.03 -0.26 -0.12 0.00 -0.01 0.00 0.00 64.34 63.91 3i6p n VAL 70 Cb 0.50 -1.60 -0.06 0.00 -0.91 0.00 0.00 33.84 31.78 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 -6.35 -0.27 -0.14 4.52 0.01 -0.90 -4.97 113.70 105.60 3i6p s SER 71 Ca -0.24 -0.12 -0.08 0.00 1.31 0.00 0.00 55.95 56.82 3i6p s SER 71 Cb 0.09 0.45 0.05 0.00 0.21 0.00 0.00 66.02 66.81 3i6p s SER 71 CO 0.32 -0.74 0.34 0.54 0.41 0.00 0.00 173.24 174.10 3i6p s VAL 72 N -3.01 -0.03 -0.24 3.43 0.11 -1.26 -0.63 120.40 118.78 3i6p s VAL 72 Ca -0.02 0.10 -0.26 0.00 -2.93 0.00 0.00 61.98 58.87 3i6p s VAL 72 Cb 0.00 -0.50 0.07 0.00 -1.53 0.00 0.00 36.38 34.43 3i6p s VAL 72 CO -0.06 0.04 0.74 -2.28 -3.33 0.00 0.00 175.10 170.21 3i6p s HIS 73 N 1.17 -0.74 -0.10 1.54 2.46 -0.62 -5.02 115.29 113.98 3i6p s HIS 73 Ca -0.08 1.76 0.02 0.00 0.47 0.00 0.00 55.06 57.23 3i6p s HIS 73 Cb -0.08 0.30 -0.01 0.00 -0.13 0.00 0.00 32.58 32.65 3i6p s HIS 73 CO -0.09 -0.40 -0.17 0.08 -2.47 0.00 0.00 174.74 171.69 3i6p s VAL 74 N 0.16 2.72 -0.31 0.89 1.01 -1.26 -0.91 120.40 122.70 3i6p s VAL 74 Ca -0.01 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 3i6p s VAL 74 Cb -0.04 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.27 3i6p s VAL 74 CO 0.02 0.55 0.06 -0.63 0.00 0.00 0.00 175.10 175.10 3i6p s ILE 75 N 0.11 3.63 0.16 2.22 1.01 0.13 -4.99 121.20 123.47 3i6p s ILE 75 Ca -0.08 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 59.45 3i6p s ILE 75 Cb -0.15 -2.97 0.03 0.00 0.01 0.00 0.00 42.46 39.38 3i6p s ILE 75 CO 0.05 -0.04 1.61 -0.65 0.00 0.00 0.00 174.94 175.92 3i6p h PRO 76 N 8.17 0.95 -2.50 2.79 0.11 -1.94 0.11 132.00 139.70 3i6p h PRO 76 Ca -0.27 -0.31 -0.60 0.00 0.11 0.00 0.00 66.00 64.93 3i6p h PRO 76 Cb 1.10 -0.08 -0.41 0.00 0.11 0.00 0.00 31.00 31.72 3i6p h PRO 76 CO 0.59 0.97 -0.72 0.54 -0.21 0.00 0.00 178.00 179.17 3i6p n ARG 77 N -4.26 1.67 -2.51 1.05 1.74 -1.26 -3.50 116.66 109.58 3i6p n ARG 77 Ca 0.02 -4.17 -0.40 0.00 -0.77 0.00 0.00 57.85 52.52 3i6p n ARG 77 Cb 0.34 -2.02 -0.05 0.00 -1.02 0.00 0.00 32.46 29.71 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 -1.56 4.67 0.50 5.56 0.04 -1.26 -4.98 135.00 137.97 3i6p s PRO 78 Ca 0.33 1.76 -0.23 0.00 0.04 0.00 0.00 61.00 62.90 3i6p s PRO 78 Cb 0.07 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.34 3i6p s PRO 78 CO -0.11 0.25 1.34 -1.58 0.04 0.00 0.00 177.00 176.95 3i6p s HIS 79 N -1.15 2.46 0.39 0.56 2.46 -1.26 -4.94 115.29 113.82 3i6p s HIS 79 Ca 0.44 1.37 0.07 0.00 0.47 0.00 0.00 55.06 57.41 3i6p s HIS 79 Cb -0.31 -3.76 0.80 0.00 -0.13 0.00 0.00 32.58 29.18 3i6p s HIS 79 CO 0.40 -2.64 2.02 0.78 -2.47 0.00 0.00 174.74 172.83 3i6p h GLY 80 N 1.88 0.56 1.64 1.59 0.00 -2.04 -2.64 103.07 104.07 3i6p h GLY 80 Ca -0.51 -0.24 0.04 0.00 0.00 0.00 0.00 47.33 46.63 3i6p h GLY 80 CO 0.59 0.23 0.14 -0.55 0.00 0.00 0.00 176.54 176.95 3i6p h ASP 81 N 0.53 0.06 -0.72 0.19 5.19 -2.03 -2.83 116.42 116.81 3i6p h ASP 81 Ca 0.14 -0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.62 3i6p h ASP 81 Cb 0.04 -0.01 -0.05 0.00 0.18 0.00 0.00 39.33 39.49 3i6p h ASP 81 CO -0.02 0.04 0.47 -0.07 -3.12 0.00 0.00 179.24 176.54 3i6p h LEU 82 N 0.07 0.63 -2.00 1.55 4.07 -1.85 -2.65 115.31 115.14 3i6p h LEU 82 Ca 0.09 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 3i6p h LEU 82 Cb 0.28 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 3i6p h LEU 82 CO -0.01 0.40 -0.05 -0.08 -1.08 0.00 0.00 178.44 177.63 3i6p h GLU 83 N 0.72 0.00 0.00 1.13 4.81 -1.69 0.01 114.58 119.56 3i6p h GLU 83 Ca 0.32 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.44 3i6p h GLU 83 Cb 0.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3i6p h GLU 83 CO -0.11 0.05 -0.50 0.93 -0.73 0.00 0.00 179.01 178.66 3i6p h GLU 84 N 0.00 0.00 0.00 1.92 5.08 -1.66 -3.36 114.58 116.56 3i6p h GLU 84 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 3i6p h GLU 84 Cb 0.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 3i6p h GLU 84 CO 0.01 0.50 -1.99 0.28 -1.00 0.00 0.00 179.01 176.81 3i6p n VAL 85 N -3.23 0.99 -4.39 3.13 0.31 -0.90 -5.02 118.33 109.22 3i6p n VAL 85 Ca 0.02 -0.58 -0.27 0.00 -0.01 0.00 0.00 64.34 63.50 3i6p n VAL 85 Cb 0.73 -0.68 -0.12 0.00 -0.91 0.00 0.00 33.84 32.86 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 -2.35 2.21 -1.23 3.52 0.40 -0.06 -5.05 117.98 115.43 3i6p s PHE 86 Ca -0.09 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 55.73 3i6p s PHE 86 Cb 0.04 -1.14 -0.06 0.00 0.51 0.00 0.00 43.02 42.37 3i6p s PHE 86 CO 0.57 0.40 2.35 -0.35 0.70 0.00 0.00 175.22 178.88 3i6p n PRO 87 N 0.57 2.62 -0.00 0.24 -0.04 -1.26 -4.37 135.00 132.75 3i6p n PRO 87 Ca -0.15 -2.04 0.04 0.00 -0.04 0.00 0.00 63.50 61.31 3i6p n PRO 87 Cb 0.55 -2.86 -0.05 0.00 -0.04 0.00 0.00 33.50 31.09 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 4.62 0.00 -1.80 0.52 -5.35 -1.26 -3.81 119.36 112.28 3i6p n ILE 88 Ca 0.57 -0.27 -0.30 0.00 -0.27 0.00 0.00 62.75 62.48 3i6p n ILE 88 Cb 0.28 0.82 0.06 0.00 -1.74 0.00 0.00 39.64 39.06 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 -2.12 1.63 0.00 3.28 0.00 -1.26 -4.86 107.32 103.99 3i6p s GLY 89 Ca 0.02 -0.31 0.25 0.00 0.00 0.00 0.00 44.72 44.68 3i6p s GLY 89 CO 0.36 0.07 1.43 1.04 0.00 0.00 0.00 173.10 176.00