#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4p h ARG 3 N 0.00 0.00 -0.17 0.11 3.08 -2.01 -2.05 114.38 113.33 3i4p h ARG 3 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 3i4p h ARG 3 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3i4p h ARG 3 CO 0.00 0.50 -0.45 -0.07 -1.07 0.00 0.00 179.97 178.89 3i4p h LEU 4 N 0.00 0.46 -0.62 3.04 3.38 -1.99 -2.05 115.31 117.53 3i4p h LEU 4 Ca -0.01 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 3i4p h LEU 4 Cb 0.93 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3i4p h LEU 4 CO 0.07 0.85 0.19 0.44 0.09 0.00 0.00 178.44 180.07 3i4p h ASP 5 N 0.35 0.91 -0.52 -0.43 3.32 -1.87 -2.24 116.42 115.94 3i4p h ASP 5 Ca 0.02 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3i4p h ASP 5 Cb 0.93 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3i4p h ASP 5 CO 0.08 0.88 0.34 -0.09 -1.72 0.00 0.00 179.24 178.73 3i4p h ARG 6 N 0.89 0.68 -0.81 3.56 2.43 -1.24 -0.67 114.38 119.23 3i4p h ARG 6 Ca 0.20 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3i4p h ARG 6 Cb 0.30 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 3i4p h ARG 6 CO -0.01 0.45 0.52 0.87 -1.51 0.00 0.00 179.97 180.30 3i4p h LYS 7 N 0.70 1.00 0.16 0.20 1.57 -1.22 0.63 116.57 119.61 3i4p h LYS 7 Ca 0.19 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3i4p h LYS 7 Cb -0.08 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.01 3i4p h LYS 7 CO -0.04 0.66 -0.08 0.82 -0.57 0.00 0.00 179.45 180.24 3i4p h ILE 8 N 1.03 0.87 -0.47 1.86 2.04 -1.06 -3.09 117.51 118.69 3i4p h ILE 8 Ca 0.32 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 3i4p h ILE 8 Cb -0.02 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3i4p h ILE 8 CO -0.10 0.03 0.24 -0.07 0.00 0.00 0.00 178.15 178.24 3i4p h LEU 9 N -0.27 0.58 -1.13 1.44 3.38 -0.88 -1.17 115.31 117.26 3i4p h LEU 9 Ca -0.02 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3i4p h LEU 9 Cb 0.21 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3i4p h LEU 9 CO 0.04 0.48 0.18 -0.09 0.09 0.00 0.00 178.44 179.14 3i4p h ARG 10 N 0.65 0.79 0.07 1.13 2.43 -0.80 -1.07 114.38 117.58 3i4p h ARG 10 Ca 0.17 -0.13 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 3i4p h ARG 10 Cb 0.05 -0.13 0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3i4p h ARG 10 CO -0.02 0.68 -0.64 0.82 -1.51 0.00 0.00 179.97 179.30 3i4p h ILE 11 N 0.77 1.50 -0.93 1.20 2.04 -1.40 -3.29 117.51 117.39 3i4p h ILE 11 Ca 0.18 -2.29 0.04 0.00 1.00 0.00 0.00 64.86 63.79 3i4p h ILE 11 Cb 0.21 2.93 -0.05 0.00 -0.74 0.00 0.00 36.82 39.17 3i4p h ILE 11 CO -0.01 0.65 0.61 -0.07 0.00 0.00 0.00 178.15 179.33 3i4p h LEU 12 N -0.31 1.01 -1.90 1.44 3.38 -0.93 0.32 115.31 118.32 3i4p h LEU 12 Ca -0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3i4p h LEU 12 Cb 1.42 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 3i4p h LEU 12 CO 0.12 0.69 -0.10 1.56 0.09 0.00 0.00 178.44 180.80 3i4p h GLN 13 N 1.17 0.00 0.04 1.13 4.20 -1.33 -2.88 115.11 117.44 3i4p h GLN 13 Ca 0.37 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.77 3i4p h GLN 13 Cb 0.01 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 3i4p h GLN 13 CO -0.11 0.10 -1.74 0.93 -0.67 0.00 0.00 178.83 177.34 3i4p h GLU 14 N 0.00 0.08 -0.69 1.46 5.08 -1.08 -3.42 114.58 116.02 3i4p h GLU 14 Ca -0.00 -0.14 0.19 0.00 -1.00 0.00 0.00 59.36 58.41 3i4p h GLU 14 Cb 0.36 0.05 -0.22 0.00 0.50 0.00 0.00 28.75 29.44 3i4p h GLU 14 CO 0.01 0.72 0.07 0.34 -1.00 0.00 0.00 179.01 179.16 3i4p s ASP 15 N -6.40 -0.70 -0.09 1.42 2.15 -0.22 -5.03 116.67 107.80 3i4p s ASP 15 Ca -0.09 0.58 0.18 0.00 0.43 0.00 0.00 52.55 53.65 3i4p s ASP 15 Cb 0.08 1.64 0.65 0.00 -0.30 0.00 0.00 42.92 44.99 3i4p s ASP 15 CO 0.81 -0.13 1.56 -1.54 -0.17 0.00 0.00 175.17 175.70 3i4p n SER 16 N 5.33 4.38 0.08 -0.34 3.41 -1.24 -4.12 113.62 121.12 3i4p n SER 16 Ca -0.06 -2.36 0.12 0.00 -0.26 0.00 0.00 58.87 56.31 3i4p n SER 16 Cb 0.53 -0.52 0.13 0.00 -0.26 0.00 0.00 64.21 64.08 3i4p n SER 16 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3i4p h THR 17 N 3.76 0.00 -3.96 6.66 1.35 -1.95 -3.47 112.91 115.29 3i4p h THR 17 Ca 0.00 -0.63 -0.54 0.00 -0.55 0.00 0.00 66.41 64.69 3i4p h THR 17 Cb 1.30 1.21 0.10 0.00 -1.73 0.00 0.00 68.15 69.03 3i4p h THR 17 CO 0.17 0.00 0.71 -0.76 -0.25 0.00 0.00 175.52 175.39 3i4p s LEU 18 N -4.57 4.23 0.47 3.87 1.43 -1.26 -4.95 118.68 117.90 3i4p s LEU 18 Ca 0.05 2.91 -0.24 0.00 -1.03 0.00 0.00 54.13 55.82 3i4p s LEU 18 Cb 0.12 -3.80 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 3i4p s LEU 18 CO 0.74 -0.96 1.38 0.00 0.23 0.00 0.00 176.35 177.74 3i4p s ALA 19 N -1.17 3.11 0.44 4.21 0.00 -1.26 -4.84 121.76 122.24 3i4p s ALA 19 Ca 0.56 1.37 0.10 0.00 0.00 0.00 0.00 51.96 53.99 3i4p s ALA 19 Cb -0.44 -3.56 0.97 0.00 0.00 0.00 0.00 23.12 20.09 3i4p s ALA 19 CO 0.58 -1.18 2.07 -0.24 0.00 0.00 0.00 175.76 176.99 3i4p h VAL 20 N 2.05 1.06 -0.28 0.00 3.04 -1.98 -1.17 116.25 118.97 3i4p h VAL 20 Ca -0.51 -0.14 -0.04 0.00 -1.01 0.00 0.00 66.70 65.00 3i4p h VAL 20 Cb 1.27 0.61 -0.02 0.00 -2.01 0.00 0.00 31.29 31.15 3i4p h VAL 20 CO 0.60 0.08 -0.02 0.00 -1.01 0.00 0.00 177.57 177.21 3i4p h ALA 21 N 1.80 1.45 0.09 3.17 0.00 -1.90 -1.41 119.26 122.45 3i4p h ALA 21 Ca 0.13 -0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.59 3i4p h ALA 21 Cb 0.01 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.68 3i4p h ALA 21 CO -0.03 0.39 -1.14 -0.44 0.00 0.00 0.00 179.25 178.04 3i4p h ASP 22 N 0.41 0.48 -0.21 0.00 3.32 -1.60 -2.97 116.42 115.85 3i4p h ASP 22 Ca 0.09 -0.46 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 3i4p h ASP 22 Cb 0.31 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3i4p h ASP 22 CO 0.01 1.32 0.12 0.25 -1.72 0.00 0.00 179.24 179.21 3i4p h LEU 23 N 0.13 0.26 -0.49 1.55 6.46 -1.28 -2.15 115.31 119.79 3i4p h LEU 23 Ca -0.12 -0.08 0.08 0.00 -0.12 0.00 0.00 57.88 57.64 3i4p h LEU 23 Cb 1.83 -0.07 -0.10 0.00 -0.73 0.00 0.00 40.66 41.59 3i4p h LEU 23 CO 0.19 0.26 -0.42 0.00 -0.62 0.00 0.00 178.44 177.85 3i4p h ALA 24 N 1.01 -0.35 -0.71 1.25 0.00 -1.31 -0.36 119.26 118.79 3i4p h ALA 24 Ca 0.07 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3i4p h ALA 24 Cb 0.06 0.90 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3i4p h ALA 24 CO -0.01 -0.83 0.41 -0.22 0.00 0.00 0.00 179.25 178.60 3i4p h LYS 25 N -0.27 0.73 -0.15 0.00 3.11 -1.42 -0.62 116.57 117.95 3i4p h LYS 25 Ca 0.16 -0.04 -0.05 0.00 -2.81 0.00 0.00 60.65 57.91 3i4p h LYS 25 Cb 0.57 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.62 3i4p h LYS 25 CO -0.63 0.48 -0.15 0.87 -2.81 0.00 0.00 179.45 177.22 3i4p h LYS 26 N 0.75 0.23 -0.32 1.90 1.57 -0.60 -2.81 116.57 117.30 3i4p h LYS 26 Ca 0.32 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3i4p h LYS 26 Cb 0.19 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3i4p h LYS 26 CO -0.18 0.39 0.00 1.33 -0.57 0.00 0.00 179.45 180.42 3i4p n VAL 27 N -4.26 0.42 -1.75 0.50 0.24 -0.24 -4.96 118.33 108.27 3i4p n VAL 27 Ca -0.01 -0.57 -0.01 0.00 -2.04 0.00 0.00 64.34 61.72 3i4p n VAL 27 Cb 0.28 0.60 -0.00 0.00 -1.47 0.00 0.00 33.84 33.25 3i4p n VAL 27 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i4p n GLY 28 N 1.31 0.36 3.32 7.63 0.00 -0.59 -5.03 105.19 112.19 3i4p n GLY 28 Ca 0.17 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 3i4p n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i4p s LEU 29 N -0.23 2.33 0.83 0.99 1.02 -0.34 -5.01 118.68 118.26 3i4p s LEU 29 Ca 0.00 -0.73 -0.11 0.00 0.02 0.00 0.00 54.13 53.31 3i4p s LEU 29 Cb 0.00 -0.96 0.09 0.00 0.02 0.00 0.00 46.19 45.35 3i4p s LEU 29 CO 0.00 0.07 1.09 -0.94 0.02 0.00 0.00 176.35 176.60 3i4p s SER 30 N -2.06 3.99 0.03 2.29 1.04 -1.26 -3.58 113.70 114.14 3i4p s SER 30 Ca 0.10 1.68 -0.24 0.00 0.48 0.00 0.00 55.95 57.97 3i4p s SER 30 Cb -0.09 -2.37 -0.17 0.00 0.10 0.00 0.00 66.02 63.49 3i4p s SER 30 CO 0.05 -2.34 1.45 0.74 0.98 0.00 0.00 173.24 174.12 3i4p h THR 31 N -1.34 1.25 0.25 2.02 2.02 -1.90 -2.85 112.91 112.35 3i4p h THR 31 Ca -0.46 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 65.94 3i4p h THR 31 Cb 1.26 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 3i4p h THR 31 CO 0.52 0.21 -0.12 0.74 0.37 0.00 0.00 175.52 177.24 3i4p h THR 32 N -0.23 0.77 -0.52 3.16 2.02 -1.96 -0.07 112.91 116.08 3i4p h THR 32 Ca 0.01 -0.03 0.08 0.00 0.77 0.00 0.00 66.41 67.24 3i4p h THR 32 Cb 0.33 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3i4p h THR 32 CO 0.00 0.01 0.35 -0.65 0.37 0.00 0.00 175.52 175.60 3i4p h PRO 33 N -0.34 0.38 0.09 6.66 0.11 -1.98 0.12 132.00 137.04 3i4p h PRO 33 Ca -0.03 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 3i4p h PRO 33 Cb 0.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.29 3i4p h PRO 33 CO 0.06 0.25 -0.04 0.00 -0.21 0.00 0.00 178.00 178.05 3i4p h TRP 35 N -0.47 -0.05 -0.37 0.00 7.01 -0.44 -2.05 115.95 119.58 3i4p h TRP 35 Ca -0.01 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.03 3i4p h TRP 35 Cb 0.39 0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.51 3i4p h TRP 35 CO 0.04 -0.08 0.25 0.00 -2.79 0.00 0.00 178.44 175.85 3i4p h ARG 36 N 0.08 0.45 -0.37 2.65 3.08 -0.77 -0.76 114.38 118.74 3i4p h ARG 36 Ca 0.18 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 3i4p h ARG 36 Cb 0.25 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3i4p h ARG 36 CO -0.31 0.30 -0.31 0.00 -1.07 0.00 0.00 179.97 178.58 3i4p h ARG 37 N 0.47 0.86 -0.34 0.04 3.08 -0.86 -2.45 114.38 115.17 3i4p h ARG 37 Ca 0.14 -0.43 -0.04 0.00 0.07 0.00 0.00 59.98 59.72 3i4p h ARG 37 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3i4p h ARG 37 CO -0.03 1.07 0.05 0.82 -1.07 0.00 0.00 179.97 180.81 3i4p h ILE 38 N 0.66 1.24 -0.02 2.04 2.04 -0.76 -3.08 117.51 119.63 3i4p h ILE 38 Ca 0.07 -0.86 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 3i4p h ILE 38 Cb 0.89 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3i4p h ILE 38 CO 0.08 0.29 -0.38 1.56 0.00 0.00 0.00 178.15 179.69 3i4p h GLN 39 N 0.41 0.05 -0.47 2.37 1.08 -1.15 -1.24 115.11 116.16 3i4p h GLN 39 Ca 0.10 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3i4p h GLN 39 Cb 0.37 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3i4p h GLN 39 CO 0.01 0.42 0.00 1.17 -0.95 0.00 0.00 178.83 179.48 3i4p n LYS 40 N -4.08 0.24 0.00 1.46 0.00 -0.93 -1.61 118.16 113.24 3i4p n LYS 40 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.29 3i4p n LYS 40 Cb 0.42 -1.16 0.00 0.00 0.00 0.00 0.00 35.03 34.29 3i4p n LYS 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3i4p n GLU 42 N 0.45 0.00 -0.20 1.64 1.02 -0.47 -0.76 120.64 122.33 3i4p n GLU 42 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 3i4p n GLU 42 Cb 0.07 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.59 3i4p n GLU 42 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3i4p h GLU 43 N 0.00 0.40 0.00 3.49 5.08 -1.57 -1.26 114.58 120.73 3i4p h GLU 43 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3i4p h GLU 43 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3i4p h GLU 43 CO 0.00 0.27 0.00 -0.25 -1.00 0.00 0.00 179.01 178.03 3i4p n ASP 44 N -4.98 0.56 0.00 1.42 8.00 0.06 -4.92 116.55 116.68 3i4p n ASP 44 Ca 0.08 0.61 0.00 0.00 0.71 0.00 0.00 54.79 56.19 3i4p n ASP 44 Cb 0.25 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 3i4p n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i4p n GLY 45 N 0.34 0.53 0.20 0.44 0.00 -0.47 -4.94 105.19 101.28 3i4p n GLY 45 Ca 0.03 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 3i4p n GLY 45 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i4p h VAL 46 N 0.00 0.70 -3.48 1.61 2.07 -1.89 -3.32 116.25 111.94 3i4p h VAL 46 Ca 0.00 -0.05 -0.57 0.00 0.82 0.00 0.00 66.70 66.90 3i4p h VAL 46 Cb 0.00 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 3i4p h VAL 46 CO 0.00 0.01 0.88 -0.63 0.02 0.00 0.00 177.57 177.85 3i4p s ILE 47 N -6.02 4.38 -0.07 4.57 1.01 -1.26 -4.94 121.20 118.87 3i4p s ILE 47 Ca -0.15 1.52 0.03 0.00 0.00 0.00 0.00 60.65 62.05 3i4p s ILE 47 Cb 0.05 -4.49 -0.25 0.00 0.01 0.00 0.00 42.46 37.77 3i4p s ILE 47 CO 0.64 -0.70 0.56 0.08 0.00 0.00 0.00 174.94 175.51 3i4p h ARG 48 N 8.58 0.13 -2.19 2.79 0.11 -1.91 -3.40 114.38 118.49 3i4p h ARG 48 Ca -0.22 -0.23 0.18 0.00 0.10 0.00 0.00 59.98 59.82 3i4p h ARG 48 Cb 1.06 0.09 -0.11 0.00 1.11 0.00 0.00 29.97 32.12 3i4p h ARG 48 CO 1.07 0.86 0.54 -0.98 0.10 0.00 0.00 179.97 181.56 3i4p s ARG 49 N -2.58 0.97 -0.07 0.08 1.70 -1.26 -5.07 118.95 112.72 3i4p s ARG 49 Ca -0.12 -0.50 0.05 0.00 -0.47 0.00 0.00 55.73 54.69 3i4p s ARG 49 Cb 0.07 0.36 -0.01 0.00 -0.57 0.00 0.00 34.95 34.81 3i4p s ARG 49 CO 0.80 -0.44 -0.23 1.03 -1.08 0.00 0.00 175.30 175.38 3i4p s ARG 50 N -3.11 2.57 0.04 3.89 0.52 -1.26 -5.15 118.95 116.44 3i4p s ARG 50 Ca 0.10 -0.84 -0.00 0.00 -0.52 0.00 0.00 55.73 54.47 3i4p s ARG 50 Cb -0.01 -2.09 -0.03 0.00 0.52 0.00 0.00 34.95 33.35 3i4p s ARG 50 CO -0.02 0.28 -0.03 0.14 0.02 0.00 0.00 175.30 175.70 3i4p s VAL 51 N 0.06 0.18 0.16 3.52 -7.23 -1.26 -5.14 120.40 110.69 3i4p s VAL 51 Ca -0.09 -1.35 -0.28 0.00 -1.81 0.00 0.00 61.98 58.44 3i4p s VAL 51 Cb -0.15 -0.88 -0.07 0.00 0.56 0.00 0.00 36.38 35.83 3i4p s VAL 51 CO 0.05 -0.74 0.88 0.00 -0.31 0.00 0.00 175.10 174.98 3i4p s ALA 52 N -2.65 3.35 -0.15 1.32 0.00 -1.26 -5.03 121.76 117.34 3i4p s ALA 52 Ca -0.05 0.50 -0.04 0.00 0.00 0.00 0.00 51.96 52.37 3i4p s ALA 52 Cb -0.01 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 3i4p s ALA 52 CO -0.05 0.15 -0.02 -0.51 0.00 0.00 0.00 175.76 175.32 3i4p s LEU 53 N -0.71 3.34 0.29 0.00 1.43 -1.26 -5.11 118.68 116.66 3i4p s LEU 53 Ca 0.41 -0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.50 3i4p s LEU 53 Cb -0.24 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 3i4p s LEU 53 CO 0.29 0.19 0.26 -0.76 0.23 0.00 0.00 176.35 176.55 3i4p s LEU 54 N 0.26 3.74 -0.30 1.79 1.43 -1.26 -5.08 118.68 119.26 3i4p s LEU 54 Ca -0.02 -0.35 -0.24 0.00 -1.03 0.00 0.00 54.13 52.49 3i4p s LEU 54 Cb -0.14 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.77 3i4p s LEU 54 CO 0.03 -0.20 0.83 -0.62 0.23 0.00 0.00 176.35 176.62 3i4p s ASP 55 N -3.93 6.72 0.36 2.29 -1.08 -1.26 -4.96 116.67 114.81 3i4p s ASP 55 Ca 0.37 0.76 0.06 0.00 -0.52 0.00 0.00 52.55 53.21 3i4p s ASP 55 Cb -0.07 -2.43 0.70 0.00 -1.46 0.00 0.00 42.92 39.66 3i4p s ASP 55 CO 0.26 -0.64 1.93 1.55 0.52 0.00 0.00 175.17 178.79 3i4p h PRO 56 N 8.06 0.50 -0.59 4.34 0.13 -1.97 -1.64 132.00 140.84 3i4p h PRO 56 Ca -0.24 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 64.79 3i4p h PRO 56 Cb 1.09 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.11 3i4p h PRO 56 CO 0.90 0.48 0.26 0.28 -0.23 0.00 0.00 178.00 179.70 3i4p h VAL 57 N 0.49 1.20 0.00 1.56 2.07 -1.93 0.14 116.25 119.79 3i4p h VAL 57 Ca 0.12 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3i4p h VAL 57 Cb 0.22 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3i4p h VAL 57 CO -0.00 0.24 -0.41 0.11 0.02 0.00 0.00 177.57 177.53 3i4p h LYS 58 N 0.84 0.00 -0.55 1.57 1.57 -1.74 -3.19 116.57 115.06 3i4p h LYS 58 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3i4p h LYS 58 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3i4p h LYS 58 CO -0.02 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.19 3i4p n VAL 59 N -2.92 1.72 -3.37 0.50 0.24 -0.76 -4.97 118.33 108.77 3i4p n VAL 59 Ca 0.02 -1.25 -0.19 0.00 -2.04 0.00 0.00 64.34 60.88 3i4p n VAL 59 Cb 0.54 0.16 0.06 0.00 -1.47 0.00 0.00 33.84 33.13 3i4p n VAL 59 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3i4p n ASN 60 N 0.83 -5.37 -2.54 -1.34 5.15 -0.89 -4.95 115.26 106.15 3i4p n ASN 60 Ca 0.23 -0.44 -0.19 0.00 -0.60 0.00 0.00 54.58 53.58 3i4p n ASN 60 Cb 0.80 -4.14 0.01 0.00 -0.53 0.00 0.00 39.78 35.93 3i4p n ASN 60 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3i4p n THR 61 N -4.47 1.82 0.69 -0.44 -2.24 -0.01 -3.19 114.28 106.44 3i4p n THR 61 Ca -0.00 -4.15 0.13 0.00 -2.27 0.00 0.00 64.05 57.75 3i4p n THR 61 Cb 0.55 -0.47 0.42 0.00 -2.10 0.00 0.00 70.33 68.73 3i4p n THR 61 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3i4p n LYS 62 N -0.33 0.22 -3.63 -0.78 2.85 -1.06 -4.23 118.16 111.20 3i4p n LYS 62 Ca 0.27 0.17 -0.36 0.00 -1.05 0.00 0.00 58.31 57.33 3i4p n LYS 62 Cb 0.73 -1.74 -0.07 0.00 -0.65 0.00 0.00 35.03 33.30 3i4p n LYS 62 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3i4p s VAL 63 N -3.09 5.34 -0.15 0.58 1.01 0.77 -4.96 120.40 119.91 3i4p s VAL 63 Ca 0.11 0.42 -0.05 0.00 0.00 0.00 0.00 61.98 62.46 3i4p s VAL 63 Cb 0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 3i4p s VAL 63 CO 0.60 0.44 0.01 -0.89 0.00 0.00 0.00 175.10 175.26 3i4p s THR 64 N 0.17 4.34 -0.07 3.92 2.01 -1.26 -1.58 115.64 123.18 3i4p s THR 64 Ca 0.14 -0.21 0.04 0.00 0.31 0.00 0.00 61.69 61.98 3i4p s THR 64 Cb -0.12 -2.90 -0.00 0.00 0.01 0.00 0.00 72.50 69.48 3i4p s THR 64 CO 0.03 0.51 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.58 3i4p s VAL 65 N 0.00 1.74 -0.31 3.82 1.01 0.23 -0.77 120.40 126.13 3i4p s VAL 65 Ca 0.03 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 3i4p s VAL 65 Cb -0.13 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 3i4p s VAL 65 CO 0.02 0.49 0.18 -0.36 0.00 0.00 0.00 175.10 175.43 3i4p s PHE 66 N 0.18 3.19 -0.31 5.22 0.08 0.13 -0.53 117.98 125.94 3i4p s PHE 66 Ca -0.10 -0.35 -0.09 0.00 0.12 0.00 0.00 56.93 56.50 3i4p s PHE 66 Cb -0.15 -2.39 -0.01 0.00 -0.57 0.00 0.00 43.02 39.90 3i4p s PHE 66 CO 0.05 -0.38 0.14 0.08 -0.10 0.00 0.00 175.22 175.02 3i4p s VAL 67 N 1.67 4.55 -0.26 -0.44 1.01 0.69 -0.71 120.40 126.92 3i4p s VAL 67 Ca 0.06 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 3i4p s VAL 67 Cb -0.17 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 3i4p s VAL 67 CO 0.08 0.08 0.41 -0.44 0.00 0.00 0.00 175.10 175.23 3i4p s SER 68 N 1.61 6.31 -0.07 3.32 0.01 0.93 -0.70 113.70 125.11 3i4p s SER 68 Ca 0.05 0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.70 3i4p s SER 68 Cb -0.17 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 3i4p s SER 68 CO 0.06 -0.19 -0.14 -0.63 0.41 0.00 0.00 173.24 172.74 3i4p s ILE 69 N 2.04 3.04 -0.05 1.44 1.01 0.01 -0.35 121.20 128.34 3i4p s ILE 69 Ca 0.17 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.16 3i4p s ILE 69 Cb -0.16 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 3i4p s ILE 69 CO 0.09 0.57 -0.22 -0.13 0.00 0.00 0.00 174.94 175.26 3i4p s ARG 70 N -0.44 2.45 0.32 2.79 0.52 0.57 -1.15 118.95 124.01 3i4p s ARG 70 Ca 0.05 -0.85 0.08 0.00 -0.52 0.00 0.00 55.73 54.49 3i4p s ARG 70 Cb -0.12 -2.20 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 3i4p s ARG 70 CO 0.02 0.48 0.13 0.99 0.02 0.00 0.00 175.30 176.94 3i4p s THR 71 N -0.41 3.21 0.94 0.02 2.01 -1.26 -2.30 115.64 117.85 3i4p s THR 71 Ca 0.04 -1.69 -0.14 0.00 0.31 0.00 0.00 61.69 60.20 3i4p s THR 71 Cb -0.12 -2.99 0.20 0.00 0.01 0.00 0.00 72.50 69.59 3i4p s THR 71 CO 0.02 -0.22 1.29 0.00 -0.69 0.00 0.00 174.62 175.01 3i4p s ALA 72 N -2.38 2.38 0.18 7.40 0.00 -1.26 -4.78 121.76 123.29 3i4p s ALA 72 Ca 0.37 -1.28 -0.31 0.00 0.00 0.00 0.00 51.96 50.74 3i4p s ALA 72 Cb -0.04 -2.69 -0.10 0.00 0.00 0.00 0.00 23.12 20.30 3i4p s ALA 72 CO 0.23 -2.36 1.51 -1.12 0.00 0.00 0.00 175.76 174.02 3i4p s SER 73 N -4.88 6.64 0.05 0.00 0.01 -1.26 -5.02 113.70 109.24 3i4p s SER 73 Ca 0.73 2.58 -0.12 0.00 1.31 0.00 0.00 55.95 60.46 3i4p s SER 73 Cb -0.04 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.61 3i4p s SER 73 CO 0.52 -0.77 0.26 -1.00 0.41 0.00 0.00 173.24 172.66 3i4p s HIS 74 N 0.86 -0.02 0.81 2.43 3.76 -1.26 -5.16 115.29 116.70 3i4p s HIS 74 Ca 0.67 -0.19 -0.12 0.00 -0.15 0.00 0.00 55.06 55.27 3i4p s HIS 74 Cb -0.42 0.04 0.08 0.00 1.11 0.00 0.00 32.58 33.39 3i4p s HIS 74 CO 0.34 -0.49 1.16 -1.54 -0.85 0.00 0.00 174.74 173.36 3i4p s SER 75 N -2.20 3.75 0.51 1.40 1.04 -1.26 -4.80 113.70 112.14 3i4p s SER 75 Ca -0.03 2.20 0.21 0.00 0.48 0.00 0.00 55.95 58.80 3i4p s SER 75 Cb -0.00 -2.57 1.30 0.00 0.10 0.00 0.00 66.02 64.85 3i4p s SER 75 CO -0.05 -2.55 2.04 0.16 0.98 0.00 0.00 173.24 173.81 3i4p h ILE 76 N -1.06 0.84 -0.08 -1.02 -2.65 -2.02 -1.61 117.51 109.91 3i4p h ILE 76 Ca -0.45 -0.02 -0.23 0.00 1.03 0.00 0.00 64.86 65.19 3i4p h ILE 76 Cb 1.27 0.76 0.01 0.00 -2.05 0.00 0.00 36.82 36.82 3i4p h ILE 76 CO 0.47 0.01 -0.84 -0.33 0.03 0.00 0.00 178.15 177.49 3i4p h GLU 77 N 0.07 0.71 -0.09 0.16 4.39 -1.98 -1.66 114.58 116.18 3i4p h GLU 77 Ca 0.19 -0.66 0.00 0.00 0.34 0.00 0.00 59.36 59.23 3i4p h GLU 77 Cb 0.65 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 3i4p h GLU 77 CO -0.01 1.25 0.06 2.35 -1.16 0.00 0.00 179.01 181.50 3i4p h TRP 78 N 0.40 0.11 -0.95 4.33 7.01 -1.77 -0.78 115.95 124.30 3i4p h TRP 78 Ca -0.08 0.00 0.03 0.00 2.11 0.00 0.00 58.89 60.95 3i4p h TRP 78 Cb 1.48 -0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 28.45 3i4p h TRP 78 CO 0.10 0.07 0.62 -0.07 -2.79 0.00 0.00 178.44 176.37 3i4p h LEU 79 N 0.12 1.04 -1.10 0.65 3.38 -1.37 0.32 115.31 118.36 3i4p h LEU 79 Ca 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3i4p h LEU 79 Cb -0.01 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3i4p h LEU 79 CO -0.01 0.73 0.47 0.11 0.09 0.00 0.00 178.44 179.82 3i4p h LYS 80 N 1.22 1.09 0.17 1.13 1.57 -0.96 -1.51 116.57 119.28 3i4p h LYS 80 Ca 0.37 -0.10 -0.30 0.00 -1.87 0.00 0.00 60.65 58.74 3i4p h LYS 80 Cb -0.04 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.06 3i4p h LYS 80 CO -0.11 0.77 -1.39 -0.09 -0.57 0.00 0.00 179.45 178.07 3i4p h ARG 81 N 1.10 0.36 -0.37 3.15 2.43 -0.61 -2.31 114.38 118.15 3i4p h ARG 81 Ca 0.29 -0.62 0.04 0.00 -0.81 0.00 0.00 59.98 58.88 3i4p h ARG 81 Cb -0.02 0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 3i4p h ARG 81 CO -0.05 1.28 0.13 0.35 -1.51 0.00 0.00 179.97 180.17 3i4p h PHE 82 N 0.10 0.23 0.00 2.20 3.57 -0.28 -1.85 116.94 120.90 3i4p h PHE 82 Ca -0.20 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.18 3i4p h PHE 82 Cb 2.05 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.72 3i4p h PHE 82 CO 0.09 0.09 -0.66 0.66 -2.23 0.00 0.00 178.31 176.26 3i4p h SER 83 N 0.28 0.00 -0.67 0.41 4.64 -1.32 -1.56 113.55 115.33 3i4p h SER 83 Ca 0.17 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.41 3i4p h SER 83 Cb 0.14 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 3i4p h SER 83 CO -0.17 0.66 0.13 -0.33 -0.87 0.00 0.00 176.83 176.26 3i4p h GLU 84 N 0.00 1.10 0.14 4.77 3.07 -1.31 -1.84 114.58 120.50 3i4p h GLU 84 Ca -0.01 -0.28 -0.29 0.00 -0.50 0.00 0.00 59.36 58.29 3i4p h GLU 84 Cb 1.23 -0.14 0.02 0.00 -0.84 0.00 0.00 28.75 29.02 3i4p h GLU 84 CO 0.09 0.99 -1.25 -0.39 -1.40 0.00 0.00 179.01 177.04 3i4p h VAL 85 N 1.03 1.40 -0.70 3.13 -1.51 -1.09 -2.74 116.25 115.77 3i4p h VAL 85 Ca 0.21 -2.79 -0.05 0.00 -1.23 0.00 0.00 66.70 62.84 3i4p h VAL 85 Cb 0.40 2.85 -0.03 0.00 -2.13 0.00 0.00 31.29 32.38 3i4p h VAL 85 CO 0.01 0.83 0.23 0.58 -1.23 0.00 0.00 177.57 177.99 3i4p h VAL 86 N 0.15 1.25 0.00 7.19 2.07 -1.36 -3.00 116.25 122.54 3i4p h VAL 86 Ca -0.16 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 3i4p h VAL 86 Cb 1.95 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 3i4p h VAL 86 CO 0.22 0.34 -0.09 0.28 0.02 0.00 0.00 177.57 178.34 3i4p h SER 87 N 1.04 0.00 0.98 0.57 0.02 -1.27 -2.55 113.55 112.34 3i4p h SER 87 Ca 0.23 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3i4p h SER 87 Cb 0.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3i4p h SER 87 CO -0.01 0.09 -0.18 -0.33 -1.14 0.00 0.00 176.83 175.26 3i4p h GLU 88 N 0.00 0.00 -6.39 3.45 5.08 -1.33 -3.44 114.58 111.95 3i4p h GLU 88 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 3i4p h GLU 88 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3i4p h GLU 88 CO 0.01 0.18 0.87 -0.06 -1.00 0.00 0.00 179.01 179.01 3i4p s PHE 89 N -3.64 2.75 0.39 4.33 0.08 -0.96 -4.88 117.98 116.05 3i4p s PHE 89 Ca 0.01 0.70 0.25 0.00 0.12 0.00 0.00 56.93 58.01 3i4p s PHE 89 Cb 0.10 -3.73 1.30 0.00 -0.57 0.00 0.00 43.02 40.11 3i4p s PHE 89 CO 0.62 -2.77 2.02 -1.00 -0.10 0.00 0.00 175.22 173.99 3i4p h PRO 90 N 7.95 0.00 0.00 0.24 0.14 -1.90 -2.13 132.00 136.30 3i4p h PRO 90 Ca -0.39 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.75 3i4p h PRO 90 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.32 3i4p h PRO 90 CO 0.91 0.16 0.00 0.93 0.14 0.00 0.00 178.00 180.14 3i4p h GLU 91 N 0.00 0.00 -5.52 0.86 3.07 -1.90 -3.40 114.58 107.69 3i4p h GLU 91 Ca -0.00 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.23 3i4p h GLU 91 Cb 0.40 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.17 3i4p h GLU 91 CO 0.02 0.00 0.52 0.08 -1.40 0.00 0.00 179.01 178.23 3i4p s VAL 92 N -3.44 4.37 -0.23 3.13 1.01 -0.80 -2.11 120.40 122.33 3i4p s VAL 92 Ca 0.04 -0.20 0.22 0.00 0.00 0.00 0.00 61.98 62.04 3i4p s VAL 92 Cb 0.09 -4.62 -0.12 0.00 0.00 0.00 0.00 36.38 31.72 3i4p s VAL 92 CO 0.54 -1.33 0.87 1.33 0.00 0.00 0.00 175.10 176.51 3i4p n VAL 93 N 5.97 0.37 -3.81 2.92 0.24 0.03 -4.88 118.33 119.17 3i4p n VAL 93 Ca -0.03 -0.49 -0.12 0.00 -2.04 0.00 0.00 64.34 61.66 3i4p n VAL 93 Cb 0.46 -0.16 -0.10 0.00 -1.47 0.00 0.00 33.84 32.57 3i4p n VAL 93 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3i4p s GLU 94 N -3.39 0.42 -0.23 7.34 2.02 -1.15 -5.00 118.70 118.72 3i4p s GLU 94 Ca -0.02 -0.02 -0.07 0.00 0.02 0.00 0.00 54.97 54.88 3i4p s GLU 94 Cb 0.12 0.19 0.11 0.00 0.10 0.00 0.00 34.13 34.64 3i4p s GLU 94 CO 0.83 -0.09 0.49 0.12 0.02 0.00 0.00 175.26 176.62 3i4p s PHE 95 N -0.67 -0.98 -0.01 1.61 5.36 -1.26 -1.22 117.98 120.81 3i4p s PHE 95 Ca -0.08 1.72 0.04 0.00 -0.96 0.00 0.00 56.93 57.65 3i4p s PHE 95 Cb -0.04 0.44 -0.01 0.00 -0.34 0.00 0.00 43.02 43.06 3i4p s PHE 95 CO 0.02 -0.56 -0.13 0.71 -1.46 0.00 0.00 175.22 173.79 3i4p s TYR 96 N 2.70 1.19 0.46 10.12 2.02 0.11 -5.01 117.35 128.94 3i4p s TYR 96 Ca -0.01 -0.23 -0.05 0.00 -0.37 0.00 0.00 57.07 56.40 3i4p s TYR 96 Cb -0.12 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.63 3i4p s TYR 96 CO -0.15 -0.02 0.76 0.50 -1.57 0.00 0.00 175.55 175.07 3i4p s ARG 97 N -0.37 3.57 0.18 -0.62 3.52 -1.26 -0.77 118.95 123.21 3i4p s ARG 97 Ca 0.05 0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.85 3i4p s ARG 97 Cb -0.05 -2.41 -0.05 0.00 -1.56 0.00 0.00 34.95 30.88 3i4p s ARG 97 CO -0.00 -0.14 0.02 -1.54 -0.81 0.00 0.00 175.30 172.82 3i4p s SER 99 N -3.95 1.11 0.00 -2.12 1.04 -1.26 -4.95 113.70 103.57 3i4p s SER 99 Ca 0.47 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3i4p s SER 99 Cb -0.10 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.16 3i4p s SER 99 CO 0.42 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.64 3i4p n GLY 100 N -0.26 -1.65 0.24 7.32 0.00 -1.26 -4.51 105.19 105.07 3i4p n GLY 100 Ca -0.05 -1.99 0.07 0.00 0.00 0.00 0.00 46.02 44.04 3i4p n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i4p h ASP 101 N 0.00 0.00 -3.34 1.61 5.19 -2.04 -3.43 116.42 114.42 3i4p h ASP 101 Ca 0.00 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.74 3i4p h ASP 101 Cb 0.00 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.37 3i4p h ASP 101 CO 0.00 0.11 -0.63 -0.69 -3.12 0.00 0.00 179.24 174.90 3i4p s VAL 102 N -4.76 4.25 -0.08 -1.35 1.01 -1.26 -4.97 120.40 113.24 3i4p s VAL 102 Ca -0.04 -0.45 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 3i4p s VAL 102 Cb 0.16 -2.85 -0.29 0.00 0.00 0.00 0.00 36.38 33.40 3i4p s VAL 102 CO 0.67 0.46 0.70 0.44 0.00 0.00 0.00 175.10 177.38 3i4p h ASP 103 N 4.64 0.41 -4.48 3.32 3.32 -1.41 -3.37 116.42 118.84 3i4p h ASP 103 Ca -0.50 -0.89 -0.31 0.00 0.02 0.00 0.00 57.03 55.36 3i4p h ASP 103 Cb 1.18 -0.13 -0.24 0.00 0.22 0.00 0.00 39.33 40.36 3i4p h ASP 103 CO 0.56 1.51 -0.75 -0.31 -1.72 0.00 0.00 179.24 178.53 3i4p s TYR 104 N -2.45 0.68 -0.12 4.55 2.02 -0.46 -4.49 117.35 117.09 3i4p s TYR 104 Ca -0.17 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.17 3i4p s TYR 104 Cb 0.03 -0.41 0.02 0.00 -0.40 0.00 0.00 41.96 41.19 3i4p s TYR 104 CO 0.79 -0.05 -0.16 -1.17 -1.57 0.00 0.00 175.55 173.39 3i4p s LEU 105 N -1.14 1.76 0.01 -1.29 2.96 0.05 -0.81 118.68 120.22 3i4p s LEU 105 Ca -0.05 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.43 3i4p s LEU 105 Cb -0.08 -1.15 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 3i4p s LEU 105 CO 0.00 0.01 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.20 3i4p s LEU 106 N 1.07 3.08 -0.20 -0.68 1.02 0.13 -0.71 118.68 122.38 3i4p s LEU 106 Ca -0.04 -0.19 -0.06 0.00 0.02 0.00 0.00 54.13 53.86 3i4p s LEU 106 Cb -0.15 -1.77 -0.03 0.00 0.02 0.00 0.00 46.19 44.27 3i4p s LEU 106 CO -0.03 0.28 0.02 -0.60 0.02 0.00 0.00 176.35 176.04 3i4p s ARG 107 N -1.42 3.69 -0.03 1.70 3.52 -0.36 -0.22 118.95 125.83 3i4p s ARG 107 Ca 0.17 -0.48 0.07 0.00 -0.13 0.00 0.00 55.73 55.35 3i4p s ARG 107 Cb -0.11 -3.14 -0.01 0.00 -1.56 0.00 0.00 34.95 30.13 3i4p s ARG 107 CO 0.07 0.03 -0.23 0.08 -0.81 0.00 0.00 175.30 174.44 3i4p s VAL 108 N 0.98 1.84 -0.04 7.11 1.01 0.31 -0.79 120.40 130.81 3i4p s VAL 108 Ca 0.02 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.09 3i4p s VAL 108 Cb -0.14 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 3i4p s VAL 108 CO 0.02 0.52 -0.24 0.68 0.00 0.00 0.00 175.10 176.08 3i4p s VAL 109 N -0.39 1.95 0.20 2.92 -7.23 -0.90 -0.60 120.40 116.36 3i4p s VAL 109 Ca 0.04 -1.03 -0.17 0.00 -1.81 0.00 0.00 61.98 59.01 3i4p s VAL 109 Cb -0.10 -1.63 0.02 0.00 0.56 0.00 0.00 36.38 35.23 3i4p s VAL 109 CO 0.01 0.55 0.52 0.68 -0.31 0.00 0.00 175.10 176.55 3i4p s VAL 110 N -0.36 0.02 0.23 1.32 -7.23 -0.61 -4.73 120.40 109.04 3i4p s VAL 110 Ca 0.03 -0.84 0.08 0.00 -1.81 0.00 0.00 61.98 59.44 3i4p s VAL 110 Cb -0.11 -1.64 -0.08 0.00 0.56 0.00 0.00 36.38 35.11 3i4p s VAL 110 CO 0.01 -0.11 1.52 1.55 -0.31 0.00 0.00 175.10 177.76 3i4p h PRO 111 N 2.20 0.04 -2.72 4.82 0.13 -1.84 0.22 132.00 134.86 3i4p h PRO 111 Ca -0.28 -0.04 0.10 0.00 -0.87 0.00 0.00 66.00 64.91 3i4p h PRO 111 Cb 1.26 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 3i4p h PRO 111 CO 0.37 0.74 0.38 0.16 -0.23 0.00 0.00 178.00 179.42 3i4p s ASP 112 N -6.83 -0.13 0.19 1.44 1.47 -1.26 -4.37 116.67 107.17 3i4p s ASP 112 Ca -0.01 -0.67 -0.12 0.00 1.18 0.00 0.00 52.55 52.93 3i4p s ASP 112 Cb 0.12 0.64 0.19 0.00 -0.34 0.00 0.00 42.92 43.53 3i4p s ASP 112 CO 0.78 -1.23 1.77 0.40 0.68 0.00 0.00 175.17 177.57 3i4p h ILE 113 N 2.00 0.88 -0.64 2.11 2.04 -1.99 -1.66 117.51 120.24 3i4p h ILE 113 Ca -0.25 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3i4p h ILE 113 Cb 1.24 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 3i4p h ILE 113 CO 0.30 0.08 0.42 0.00 0.00 0.00 0.00 178.15 178.94 3i4p h ALA 114 N 1.33 0.82 -0.51 1.87 0.00 -1.99 0.21 119.26 120.99 3i4p h ALA 114 Ca 0.25 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3i4p h ALA 114 Cb 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3i4p h ALA 114 CO -0.22 0.26 0.30 0.00 0.00 0.00 0.00 179.25 179.59 3i4p h ALA 115 N 1.22 1.58 -0.03 0.00 0.00 -1.89 -1.41 119.26 118.73 3i4p h ALA 115 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3i4p h ALA 115 Cb -0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3i4p h ALA 115 CO -0.05 0.37 -0.02 -0.92 0.00 0.00 0.00 179.25 178.63 3i4p h TYR 116 N 0.70 0.07 -0.60 0.00 3.20 -0.29 -1.83 116.97 118.22 3i4p h TYR 116 Ca 0.18 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.16 3i4p h TYR 116 Cb -0.02 -0.02 -0.11 0.00 1.54 0.00 0.00 36.73 38.12 3i4p h TYR 116 CO 0.00 0.47 -0.10 0.22 -1.64 0.00 0.00 178.16 177.12 3i4p h ASP 117 N -0.35 -0.46 0.55 -2.11 3.58 -0.31 -0.59 116.42 116.74 3i4p h ASP 117 Ca 0.01 0.17 -0.08 0.00 0.42 0.00 0.00 57.03 57.55 3i4p h ASP 117 Cb 0.46 0.34 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 3i4p h ASP 117 CO 0.00 -0.17 -0.37 0.00 -2.88 0.00 0.00 179.24 175.82 3i4p h ALA 118 N 1.59 1.19 0.13 -0.78 0.00 -1.21 -1.81 119.26 118.36 3i4p h ALA 118 Ca 0.30 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3i4p h ALA 118 Cb 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3i4p h ALA 118 CO -0.59 0.47 -0.06 0.35 0.00 0.00 0.00 179.25 179.42 3i4p h PHE 119 N 0.00 -0.16 -0.79 0.00 3.57 -0.68 -2.79 116.94 116.09 3i4p h PHE 119 Ca -0.00 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.67 3i4p h PHE 119 Cb 0.75 0.05 -0.11 0.00 2.79 0.00 0.00 35.95 39.43 3i4p h PHE 119 CO 0.00 0.25 0.26 -0.92 -2.23 0.00 0.00 178.31 175.67 3i4p h TYR 120 N -0.61 0.43 -0.73 0.41 3.20 -1.00 -1.39 116.97 117.28 3i4p h TYR 120 Ca -0.02 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 3i4p h TYR 120 Cb 0.48 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 3i4p h TYR 120 CO 0.06 -0.05 0.30 0.87 -1.64 0.00 0.00 178.16 177.70 3i4p h LYS 121 N 0.34 1.08 -1.01 1.82 1.79 -1.33 -1.40 116.57 117.86 3i4p h LYS 121 Ca 0.46 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 3i4p h LYS 121 Cb 0.81 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 3i4p h LYS 121 CO -0.50 0.87 0.00 0.54 -1.08 0.00 0.00 179.45 179.28 3i4p n ARG 122 N -4.29 0.43 0.00 3.15 1.74 -0.52 -2.29 116.66 114.87 3i4p n ARG 122 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3i4p n ARG 122 Cb 0.18 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 3i4p n ARG 122 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3i4p n ILE 124 N 0.54 0.00 0.14 0.55 0.13 -0.53 -3.23 119.36 116.97 3i4p n ILE 124 Ca 0.00 0.00 0.02 0.00 -1.10 0.00 0.00 62.75 61.67 3i4p n ILE 124 Cb 0.16 0.00 0.38 0.00 -0.84 0.00 0.00 39.64 39.34 3i4p n ILE 124 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3i4p h ALA 125 N 0.00 1.46 0.00 1.51 0.00 -1.71 -3.27 119.26 117.25 3i4p h ALA 125 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3i4p h ALA 125 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3i4p h ALA 125 CO 0.00 0.38 -1.19 1.63 0.00 0.00 0.00 179.25 180.07 3i4p n LYS 126 N -4.23 0.29 -4.22 0.00 5.02 -1.20 -4.97 118.16 108.85 3i4p n LYS 126 Ca -0.01 -0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.11 3i4p n LYS 126 Cb 0.31 -1.56 -0.10 0.00 -0.02 0.00 0.00 35.03 33.66 3i4p n LYS 126 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3i4p s ILE 127 N -3.21 0.78 -0.06 -0.18 -4.36 -1.23 -5.05 121.20 107.89 3i4p s ILE 127 Ca 0.03 -1.98 0.03 0.00 -0.26 0.00 0.00 60.65 58.46 3i4p s ILE 127 Cb 0.15 -1.95 0.01 0.00 1.25 0.00 0.00 42.46 41.91 3i4p s ILE 127 CO 0.84 -0.64 -0.13 -1.61 0.24 0.00 0.00 174.94 173.64 3i4p s GLU 128 N -3.86 1.69 -0.08 0.37 0.41 -1.26 -4.71 118.70 111.26 3i4p s GLU 128 Ca 0.19 -0.46 -0.03 0.00 -0.41 0.00 0.00 54.97 54.26 3i4p s GLU 128 Cb 0.05 -1.42 0.05 0.00 -1.78 0.00 0.00 34.13 31.03 3i4p s GLU 128 CO 0.01 0.09 0.17 0.96 -0.49 0.00 0.00 175.26 175.99 3i4p s ILE 129 N 0.46 -0.19 0.15 -1.63 -0.00 -1.26 -4.82 121.20 113.91 3i4p s ILE 129 Ca -0.11 0.28 -0.24 0.00 -0.00 0.00 0.00 60.65 60.58 3i4p s ILE 129 Cb -0.14 -0.29 0.01 0.00 -0.00 0.00 0.00 42.46 42.04 3i4p s ILE 129 CO 0.03 0.12 1.62 -0.09 -0.00 0.00 0.00 174.94 176.62 3i4p h ARG 130 N 7.91 -0.30 -3.20 0.37 2.43 -1.76 -3.44 114.38 116.39 3i4p h ARG 130 Ca -0.25 0.02 -0.25 0.00 -0.81 0.00 0.00 59.98 58.69 3i4p h ARG 130 Cb 1.13 0.07 -0.32 0.00 -0.42 0.00 0.00 29.97 30.42 3i4p h ARG 130 CO 0.25 -0.20 -0.59 -0.51 -1.51 0.00 0.00 179.97 177.41 3i4p s ASP 131 N -4.99 0.01 -0.10 -3.80 -0.00 -1.06 -5.02 116.67 101.72 3i4p s ASP 131 Ca -0.15 0.33 0.04 0.00 -0.00 0.00 0.00 52.55 52.77 3i4p s ASP 131 Cb 0.11 0.23 -0.00 0.00 -0.00 0.00 0.00 42.92 43.27 3i4p s ASP 131 CO 0.67 -0.17 -0.23 -0.69 -0.00 0.00 0.00 175.17 174.75 3i4p s VAL 132 N 1.38 2.15 -0.18 -1.27 1.01 -1.26 -0.31 120.40 121.92 3i4p s VAL 132 Ca -0.07 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.92 3i4p s VAL 132 Cb -0.12 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.49 3i4p s VAL 132 CO -0.06 0.56 -0.08 -0.55 0.00 0.00 0.00 175.10 174.97 3i4p s SER 133 N 0.26 3.05 -0.04 3.32 0.15 0.52 -4.97 113.70 115.99 3i4p s SER 133 Ca -0.16 -0.75 -0.13 0.00 0.70 0.00 0.00 55.95 55.62 3i4p s SER 133 Cb -0.17 -1.06 -0.05 0.00 -1.71 0.00 0.00 66.02 63.03 3i4p s SER 133 CO 0.08 -0.16 0.33 -0.44 1.20 0.00 0.00 173.24 174.25 3i4p s SER 134 N 1.53 6.68 -0.09 5.45 0.01 -1.26 -0.05 113.70 125.96 3i4p s SER 134 Ca 0.00 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.07 3i4p s SER 134 Cb -0.15 -2.20 0.02 0.00 0.21 0.00 0.00 66.02 63.90 3i4p s SER 134 CO -0.08 0.33 -0.08 0.00 0.41 0.00 0.00 173.24 173.81 3i4p s ALA 135 N -0.93 1.23 -0.10 1.44 0.00 0.11 -4.98 121.76 118.53 3i4p s ALA 135 Ca 0.21 -0.45 -0.21 0.00 0.00 0.00 0.00 51.96 51.51 3i4p s ALA 135 Cb -0.15 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 3i4p s ALA 135 CO 0.10 -0.25 0.61 -0.06 0.00 0.00 0.00 175.76 176.17 3i4p s PHE 136 N 1.38 3.53 0.16 0.00 0.08 -1.26 0.17 117.98 122.04 3i4p s PHE 136 Ca -0.02 1.08 -0.03 0.00 0.12 0.00 0.00 56.93 58.09 3i4p s PHE 136 Cb -0.14 -2.71 0.04 0.00 -0.57 0.00 0.00 43.02 39.64 3i4p s PHE 136 CO -0.04 0.08 0.13 0.00 -0.10 0.00 0.00 175.22 175.29 3i4p n ALA 137 N 3.90 -0.48 -1.75 5.36 0.00 0.05 -4.98 120.51 122.61 3i4p n ALA 137 Ca -0.03 -0.20 -0.41 0.00 0.00 0.00 0.00 53.44 52.80 3i4p n ALA 137 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3i4p n ALA 137 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i4p n GLU 139 N -2.06 2.47 -2.99 0.00 2.13 -1.26 -4.65 120.64 114.28 3i4p n GLU 139 Ca 0.02 0.87 -0.44 0.00 0.66 0.00 0.00 57.16 58.27 3i4p n GLU 139 Cb 0.07 -2.58 -0.04 0.00 0.27 0.00 0.00 31.44 29.16 3i4p n GLU 139 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3i4p s GLN 140 N -2.11 3.09 0.00 5.31 0.74 -1.26 -4.93 119.66 120.50 3i4p s GLN 140 Ca 0.55 -1.12 -0.20 0.00 0.05 0.00 0.00 55.36 54.63 3i4p s GLN 140 Cb -0.49 -4.27 -0.23 0.00 1.10 0.00 0.00 33.01 29.12 3i4p s GLN 140 CO 0.62 -1.67 1.11 0.82 -0.55 0.00 0.00 175.29 175.62 3i4p h ILE 141 N 5.94 1.44 -3.74 -2.34 2.04 -2.05 -3.45 117.51 115.35 3i4p h ILE 141 Ca -0.28 -2.02 -0.32 0.00 1.00 0.00 0.00 64.86 63.24 3i4p h ILE 141 Cb 1.08 2.57 -0.30 0.00 -0.74 0.00 0.00 36.82 39.42 3i4p h ILE 141 CO 1.14 0.59 -0.75 -0.75 0.00 0.00 0.00 178.15 178.37 3i4p s LYS 142 N -3.26 0.35 -0.16 2.37 2.20 -1.26 -5.12 119.74 114.87 3i4p s LYS 142 Ca -0.14 -0.08 -0.04 0.00 -0.36 0.00 0.00 55.97 55.35 3i4p s LYS 142 Cb 0.03 -0.39 0.07 0.00 -1.51 0.00 0.00 37.83 36.04 3i4p s LYS 142 CO 0.81 0.02 0.18 -0.47 -0.36 0.00 0.00 175.35 175.53 3i4p s TYR 143 N 0.27 -0.18 0.09 4.03 5.04 -1.26 -5.15 117.35 120.19 3i4p s TYR 143 Ca -0.03 0.30 0.06 0.00 -2.44 0.00 0.00 57.07 54.96 3i4p s TYR 143 Cb -0.06 -0.36 -0.03 0.00 0.35 0.00 0.00 41.96 41.86 3i4p s TYR 143 CO -0.01 -0.47 -0.15 -0.08 -1.34 0.00 0.00 175.55 173.51 3i4p s THR 144 N 2.29 1.22 -2.04 4.34 -1.32 -1.26 -5.02 115.64 113.86 3i4p s THR 144 Ca 0.05 -1.44 0.21 0.00 -1.21 0.00 0.00 61.69 59.30 3i4p s THR 144 Cb -0.14 -1.24 0.02 0.00 -1.51 0.00 0.00 72.50 69.63 3i4p s THR 144 CO -0.09 -0.26 1.05 0.35 -2.21 0.00 0.00 174.62 173.46 3i4p n THR 145 N 1.06 0.00 -2.17 5.08 -2.24 -1.26 -4.93 114.28 109.82 3i4p n THR 145 Ca -0.20 -0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 60.84 3i4p n THR 145 Cb 0.55 1.28 -0.03 0.00 -2.10 0.00 0.00 70.33 70.03 3i4p n THR 145 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3i4p s GLU 146 N -2.24 4.21 0.45 -0.78 2.02 -1.26 -5.04 118.70 116.06 3i4p s GLU 146 Ca 0.19 1.99 -0.18 0.00 0.02 0.00 0.00 54.97 56.98 3i4p s GLU 146 Cb 0.17 -3.85 -0.09 0.00 0.10 0.00 0.00 34.13 30.45 3i4p s GLU 146 CO 0.48 -0.76 0.93 -0.51 0.02 0.00 0.00 175.26 175.42 3i4p s LEU 147 N 3.61 3.84 0.22 1.80 1.43 -1.26 -5.05 118.68 123.28 3i4p s LEU 147 Ca 0.66 1.58 -0.30 0.00 -1.03 0.00 0.00 54.13 55.04 3i4p s LEU 147 Cb -0.29 -4.46 -0.09 0.00 0.03 0.00 0.00 46.19 41.38 3i4p s LEU 147 CO 0.24 -0.42 1.38 -2.16 0.23 0.00 0.00 176.35 175.62 3i4p s PRO 148 N -3.50 4.32 0.00 1.29 0.04 -1.26 -4.92 135.00 130.97 3i4p s PRO 148 Ca 0.60 2.19 0.13 0.00 0.04 0.00 0.00 61.00 63.96 3i4p s PRO 148 Cb -0.09 -3.15 0.13 0.00 0.04 0.00 0.00 34.50 31.43 3i4p s PRO 148 CO 0.21 -0.35 0.97 1.28 0.04 0.00 0.00 177.00 179.14 3i4p n LEU 149 N 2.55 2.22 0.19 -3.56 4.77 -1.26 -4.47 117.00 117.45 3i4p n LEU 149 Ca 0.07 -1.10 0.14 0.00 -0.03 0.00 0.00 56.01 55.08 3i4p n LEU 149 Cb 0.41 -0.03 0.65 0.00 -2.33 0.00 0.00 43.42 42.13 3i4p n LEU 149 CO 0.59 0.43 0.91 0.44 -1.33 0.00 0.00 177.39 178.43 3i4p h ASP 150 N 2.62 0.00 -3.29 -1.43 3.45 -2.02 -3.48 116.42 112.27 3i4p h ASP 150 Ca 0.00 0.00 -0.79 0.00 0.43 0.00 0.00 57.03 56.67 3i4p h ASP 150 Cb 0.58 0.00 -0.29 0.00 -0.56 0.00 0.00 39.33 39.06 3i4p h ASP 150 CO 0.00 0.00 0.48 -1.22 -1.57 0.00 0.00 179.24 176.93 3i4p n TYR 151 N -2.47 4.15 0.00 4.55 4.01 -1.26 -5.30 117.16 120.83 3i4p n TYR 151 Ca -0.00 -3.51 0.00 0.00 -0.16 0.00 0.00 57.90 54.23 3i4p n TYR 151 Cb 0.14 -1.47 0.00 0.00 -0.31 0.00 0.00 39.34 37.70 3i4p n TYR 151 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68