#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dvu n SER 6 N 0.00 3.35 0.13 3.14 2.88 -1.26 -4.91 113.62 116.95 3dvu n SER 6 Ca 0.00 1.22 0.02 0.00 -1.33 0.00 0.00 58.87 58.78 3dvu n SER 6 Cb 0.00 -1.56 0.38 0.00 -0.75 0.00 0.00 64.21 62.28 3dvu n SER 6 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3dvu h GLY 7 N 2.86 0.21 1.83 0.46 0.00 -2.04 -1.54 103.07 104.86 3dvu h GLY 7 Ca -0.49 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 46.59 3dvu h GLY 7 CO 0.64 0.13 -0.48 -0.84 0.00 0.00 0.00 176.54 175.99 3dvu h THR 8 N 0.19 1.34 -0.55 4.70 2.02 -1.99 -1.58 112.91 117.03 3dvu h THR 8 Ca 0.03 -1.68 -0.09 0.00 0.77 0.00 0.00 66.41 65.45 3dvu h THR 8 Cb 0.44 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 3dvu h THR 8 CO 0.03 0.50 0.01 0.22 0.37 0.00 0.00 175.52 176.64 3dvu h TYR 9 N 0.15 1.06 -0.01 3.16 5.03 -1.66 -0.46 116.97 124.24 3dvu h TYR 9 Ca 0.01 -0.18 -0.16 0.00 2.58 0.00 0.00 58.73 60.98 3dvu h TYR 9 Cb 0.90 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.89 3dvu h TYR 9 CO 0.01 0.96 -0.73 -1.49 -1.32 0.00 0.00 178.16 175.59 3dvu h TRP 10 N 0.86 0.11 -0.36 -3.82 4.06 -1.22 -0.36 115.95 115.21 3dvu h TRP 10 Ca 0.16 -0.05 -0.15 0.00 2.06 0.00 0.00 58.89 60.91 3dvu h TRP 10 Cb 0.53 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.67 3dvu h TRP 10 CO 0.04 0.78 -0.34 0.00 -3.56 0.00 0.00 178.44 175.36 3dvu h ALA 11 N 1.21 0.53 -0.44 1.49 0.00 -1.13 -1.81 119.26 119.12 3dvu h ALA 11 Ca -0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 3dvu h ALA 11 Cb 1.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3dvu h ALA 11 CO 0.10 0.60 -0.06 1.15 0.00 0.00 0.00 179.25 181.04 3dvu h THR 12 N 0.68 1.25 -0.27 0.00 2.02 -0.97 -2.22 112.91 113.39 3dvu h THR 12 Ca 0.06 -1.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.12 3dvu h THR 12 Cb 0.93 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 3dvu h THR 12 CO 0.09 0.37 -0.04 0.25 0.37 0.00 0.00 175.52 176.55 3dvu h LEU 13 N 0.69 0.50 -0.32 2.58 5.85 -0.84 -1.76 115.31 122.02 3dvu h LEU 13 Ca 0.13 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 3dvu h LEU 13 Cb 0.51 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3dvu h LEU 13 CO 0.03 0.73 -0.05 0.40 -0.34 0.00 0.00 178.44 179.21 3dvu h ILE 14 N 0.27 1.27 -0.49 4.05 2.04 -1.29 -0.94 117.51 122.42 3dvu h ILE 14 Ca 0.07 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 3dvu h ILE 14 Cb 0.50 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 3dvu h ILE 14 CO 0.02 0.34 0.24 0.74 0.00 0.00 0.00 178.15 179.50 3dvu h THR 15 N 0.38 1.19 -0.41 -0.27 2.02 -1.44 -0.41 112.91 113.97 3dvu h THR 15 Ca 0.08 -0.53 -0.09 0.00 0.77 0.00 0.00 66.41 66.65 3dvu h THR 15 Cb 0.52 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3dvu h THR 15 CO 0.03 0.21 -0.12 0.00 0.37 0.00 0.00 175.52 176.00 3dvu h ALA 16 N 1.08 1.02 -0.05 6.16 0.00 -1.27 0.04 119.26 126.25 3dvu h ALA 16 Ca 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3dvu h ALA 16 Cb 0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3dvu h ALA 16 CO -0.02 0.59 0.00 0.35 0.00 0.00 0.00 179.25 180.17 3dvu h PHE 17 N 0.66 0.09 -0.63 0.00 3.04 -0.85 -1.09 116.94 118.16 3dvu h PHE 17 Ca 0.11 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.02 3dvu h PHE 17 Cb 0.59 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.05 3dvu h PHE 17 CO 0.03 0.36 0.28 -0.07 -2.02 0.00 0.00 178.31 176.89 3dvu h LEU 18 N -0.21 0.81 -0.38 0.59 3.38 -0.91 -2.07 115.31 116.51 3dvu h LEU 18 Ca 0.01 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3dvu h LEU 18 Cb 0.33 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3dvu h LEU 18 CO 0.00 0.71 -0.07 0.11 0.09 0.00 0.00 178.44 179.28 3dvu h LYS 19 N 0.89 0.72 -0.35 1.13 1.57 -0.86 -1.75 116.57 117.92 3dvu h LYS 19 Ca 0.22 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3dvu h LYS 19 Cb 0.12 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3dvu h LYS 19 CO -0.03 0.86 0.22 1.15 -0.57 0.00 0.00 179.45 181.08 3dvu h THR 20 N 0.53 1.11 0.00 -0.16 2.02 -0.85 -1.74 112.91 113.82 3dvu h THR 20 Ca 0.10 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3dvu h THR 20 Cb 0.58 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3dvu h THR 20 CO 0.03 0.10 0.00 -0.37 0.37 0.00 0.00 175.52 175.66 3dvu h VAL 21 N 0.46 0.00 -0.04 3.16 -1.51 -1.39 -2.68 116.25 114.25 3dvu h VAL 21 Ca 0.13 -0.58 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3dvu h VAL 21 Cb -0.02 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 3dvu h VAL 21 CO -0.03 0.00 0.00 -1.20 -1.23 0.00 0.00 177.57 175.11 3dvu n SER 22 N -2.70 0.75 -0.75 4.19 7.64 -0.66 -4.46 113.62 117.62 3dvu n SER 22 Ca 0.03 -1.38 -0.10 0.00 1.01 0.00 0.00 58.87 58.43 3dvu n SER 22 Cb 0.39 -0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.52 3dvu n SER 22 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3dvu n LYS 23 N -0.36 -1.41 -2.60 1.43 4.76 -1.01 0.10 118.16 119.07 3dvu n LYS 23 Ca 0.19 0.81 -0.41 0.00 -2.87 0.00 0.00 58.31 56.02 3dvu n LYS 23 Cb 0.21 -5.05 -0.03 0.00 -1.84 0.00 0.00 35.03 28.32 3dvu n LYS 23 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3dvu s VAL 24 N -2.00 3.88 -0.98 -0.18 1.01 -0.70 -4.21 120.40 117.21 3dvu s VAL 24 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 3dvu s VAL 24 Cb 0.00 -4.92 -0.07 0.00 0.00 0.00 0.00 36.38 31.40 3dvu s VAL 24 CO 0.00 -1.82 2.17 -0.62 0.00 0.00 0.00 175.10 174.84 3dvu n GLU 25 N 8.95 2.19 -4.74 2.72 1.02 -1.26 -4.56 120.64 124.96 3dvu n GLU 25 Ca 0.10 -1.61 -0.26 0.00 -0.02 0.00 0.00 57.16 55.37 3dvu n GLU 25 Cb 0.49 -2.57 -0.17 0.00 -0.02 0.00 0.00 31.44 29.17 3dvu n GLU 25 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3dvu s GLU 26 N 3.49 1.98 0.20 3.49 2.12 -1.26 -5.14 118.70 123.57 3dvu s GLU 26 Ca 0.45 -0.53 -0.18 0.00 0.36 0.00 0.00 54.97 55.07 3dvu s GLU 26 Cb 0.12 -1.60 0.03 0.00 0.26 0.00 0.00 34.13 32.93 3dvu s GLU 26 CO -0.02 0.08 0.52 -0.51 -0.54 0.00 0.00 175.26 174.80 3dvu s LEU 27 N 0.52 0.07 0.00 2.70 1.43 -1.26 -4.93 118.68 117.21 3dvu s LEU 27 Ca -0.14 -0.48 0.11 0.00 -1.03 0.00 0.00 54.13 52.59 3dvu s LEU 27 Cb -0.16 2.15 0.18 0.00 0.03 0.00 0.00 46.19 48.40 3dvu s LEU 27 CO 0.05 -1.05 1.01 -0.90 0.23 0.00 0.00 176.35 175.69 3dvu n ASP 28 N -0.34 0.16 -0.74 2.29 3.85 -1.26 -4.82 116.55 115.69 3dvu n ASP 28 Ca -0.10 -1.88 -0.07 0.00 -0.71 0.00 0.00 54.79 52.03 3dvu n ASP 28 Cb 0.62 -0.09 -0.01 0.00 -1.35 0.00 0.00 41.12 40.30 3dvu n ASP 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3dvu h VAL 30 N 0.00 0.83 -2.13 0.00 -1.51 -1.98 -3.29 116.25 108.18 3dvu h VAL 30 Ca -0.16 -0.15 -0.57 0.00 -1.23 0.00 0.00 66.70 64.60 3dvu h VAL 30 Cb 0.98 0.37 -0.41 0.00 -2.13 0.00 0.00 31.29 30.10 3dvu h VAL 30 CO 0.20 0.08 -0.84 0.47 -1.23 0.00 0.00 177.57 176.25 3dvu n ASP 31 N -4.96 2.50 -0.03 4.19 10.43 -1.26 -4.33 116.55 123.09 3dvu n ASP 31 Ca 0.07 -3.23 -0.13 0.00 2.57 0.00 0.00 54.79 54.06 3dvu n ASP 31 Cb 0.22 -0.63 -0.10 0.00 1.84 0.00 0.00 41.12 42.45 3dvu n ASP 31 CO 0.00 0.00 0.00 -1.28 -1.07 0.00 0.00 177.20 174.85 3dvu h SER 32 N 3.66 0.11 -0.17 -2.24 0.87 -1.95 -2.32 113.55 111.51 3dvu h SER 32 Ca 0.13 -0.58 0.05 0.00 -1.23 0.00 0.00 61.79 60.16 3dvu h SER 32 Cb 0.73 -0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.59 3dvu h SER 32 CO 0.68 0.67 -0.43 0.00 -0.53 0.00 0.00 176.83 177.22 3dvu h ALA 33 N 0.44 -0.59 -0.00 6.23 0.00 -1.82 -3.30 119.26 120.22 3dvu h ALA 33 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dvu h ALA 33 Cb 0.65 0.82 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3dvu h ALA 33 CO 0.01 -0.93 -0.65 0.28 0.00 0.00 0.00 179.25 177.96 3dvu n VAL 34 N -5.43 0.00 -0.21 0.00 0.31 -1.24 -4.69 118.33 107.08 3dvu n VAL 34 Ca -0.04 -0.06 0.11 0.00 -0.01 0.00 0.00 64.34 64.34 3dvu n VAL 34 Cb 0.36 0.73 0.40 0.00 -0.91 0.00 0.00 33.84 34.43 3dvu n VAL 34 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3dvu h LEU 35 N 0.60 0.58 -0.67 7.52 3.38 -1.50 -1.78 115.31 123.46 3dvu h LEU 35 Ca 0.00 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 3dvu h LEU 35 Cb 0.55 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3dvu h LEU 35 CO 0.00 0.33 -0.29 0.58 0.09 0.00 0.00 178.44 179.14 3dvu h VAL 36 N 0.64 1.28 -0.29 1.22 2.07 -1.83 -2.63 116.25 116.70 3dvu h VAL 36 Ca 0.38 -1.42 -0.14 0.00 0.82 0.00 0.00 66.70 66.34 3dvu h VAL 36 Cb 0.60 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3dvu h VAL 36 CO -0.15 0.47 -0.36 0.44 0.02 0.00 0.00 177.57 177.99 3dvu h ASP 37 N 0.61 0.82 -0.60 0.57 3.32 -1.68 -1.97 116.42 117.49 3dvu h ASP 37 Ca 0.07 -0.49 0.09 0.00 0.02 0.00 0.00 57.03 56.72 3dvu h ASP 37 Cb 0.81 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.05 3dvu h ASP 37 CO 0.07 1.15 0.22 0.58 -1.72 0.00 0.00 179.24 179.53 3dvu h VAL 38 N 0.51 0.76 -0.57 -1.35 2.07 -1.29 -1.05 116.25 115.33 3dvu h VAL 38 Ca 0.04 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3dvu h VAL 38 Cb 0.95 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3dvu h VAL 38 CO 0.09 0.07 0.28 0.28 0.02 0.00 0.00 177.57 178.31 3dvu h SER 39 N 0.39 0.74 -0.38 0.57 0.02 -1.34 -0.20 113.55 113.34 3dvu h SER 39 Ca 0.30 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3dvu h SER 39 Cb 0.38 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3dvu h SER 39 CO -0.31 0.65 0.25 0.11 -1.14 0.00 0.00 176.83 176.39 3dvu h LYS 40 N 0.77 0.50 -0.30 3.45 1.57 -0.59 -1.31 116.57 120.66 3dvu h LYS 40 Ca 0.20 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3dvu h LYS 40 Cb 0.11 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3dvu h LYS 40 CO -0.03 0.34 -0.14 0.82 -0.57 0.00 0.00 179.45 179.87 3dvu h ILE 41 N 0.51 1.24 -0.33 1.86 2.04 -0.98 -0.24 117.51 121.61 3dvu h ILE 41 Ca 0.14 -1.07 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 3dvu h ILE 41 Cb -0.05 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3dvu h ILE 41 CO -0.03 0.35 0.01 0.40 0.00 0.00 0.00 178.15 178.88 3dvu h ILE 42 N 0.48 1.25 -0.81 -0.67 2.04 -0.69 -0.52 117.51 118.59 3dvu h ILE 42 Ca 0.08 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 3dvu h ILE 42 Cb 0.53 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 3dvu h ILE 42 CO 0.03 0.30 0.44 0.74 0.00 0.00 0.00 178.15 179.67 3dvu h THR 43 N 0.38 1.24 -0.34 -0.27 2.02 -0.93 -2.54 112.91 112.47 3dvu h THR 43 Ca 0.10 -0.60 -0.12 0.00 0.77 0.00 0.00 66.41 66.55 3dvu h THR 43 Cb 0.42 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3dvu h THR 43 CO 0.01 0.27 -0.27 -0.07 0.37 0.00 0.00 175.52 175.84 3dvu h LEU 44 N 1.13 0.82 -1.73 2.58 3.38 -0.91 -2.54 115.31 118.03 3dvu h LEU 44 Ca 0.28 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3dvu h LEU 44 Cb 0.04 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3dvu h LEU 44 CO -0.05 1.09 -0.16 0.71 0.09 0.00 0.00 178.44 180.12 3dvu h THR 45 N 0.55 0.69 -0.03 0.22 1.35 -0.94 0.29 112.91 115.04 3dvu h THR 45 Ca 0.06 -0.68 -0.14 0.00 -0.55 0.00 0.00 66.41 65.10 3dvu h THR 45 Cb 0.83 1.43 0.01 0.00 -1.73 0.00 0.00 68.15 68.69 3dvu h THR 45 CO 0.07 0.16 -0.51 1.56 -0.25 0.00 0.00 175.52 176.55 3dvu h GLN 46 N 0.00 0.40 -0.51 4.72 4.20 -1.39 -1.40 115.11 121.13 3dvu h GLN 46 Ca -0.00 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.31 3dvu h GLN 46 Cb 0.41 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 3dvu h GLN 46 CO 0.02 1.05 0.27 1.49 -0.67 0.00 0.00 178.83 180.99 3dvu h GLU 47 N -0.10 0.71 0.50 1.46 4.81 -1.02 -1.63 114.58 119.31 3dvu h GLU 47 Ca -0.05 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 3dvu h GLU 47 Cb 1.20 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3dvu h GLU 47 CO 0.10 0.56 -0.24 0.35 -0.73 0.00 0.00 179.01 179.05 3dvu h PHE 48 N 0.67 -0.63 -1.00 0.92 3.04 -0.43 -2.39 116.94 117.12 3dvu h PHE 48 Ca 0.18 -0.01 0.23 0.00 3.98 0.00 0.00 57.97 62.34 3dvu h PHE 48 Cb 0.06 0.21 -0.12 0.00 2.56 0.00 0.00 35.95 38.66 3dvu h PHE 48 CO -0.01 -0.39 0.60 -0.09 -2.02 0.00 0.00 178.31 176.40 3dvu h ARG 49 N -0.67 0.62 -0.38 1.11 9.65 -1.10 0.15 114.38 123.75 3dvu h ARG 49 Ca -0.07 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.72 3dvu h ARG 49 Cb 0.52 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 3dvu h ARG 49 CO 0.11 0.41 0.01 -0.09 2.80 0.00 0.00 179.97 183.20 3dvu h ARG 50 N 0.63 0.60 -0.22 0.20 1.12 -0.92 -0.67 114.38 115.12 3dvu h ARG 50 Ca 0.63 -0.14 -0.16 0.00 -1.11 0.00 0.00 59.98 59.20 3dvu h ARG 50 Cb 1.13 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 31.01 3dvu h ARG 50 CO -0.45 0.62 -0.50 0.45 -3.11 0.00 0.00 179.97 176.98 3dvu h HIS 51 N 0.58 0.93 -0.77 2.20 3.86 -0.28 -2.26 115.15 119.40 3dvu h HIS 51 Ca 0.12 -0.35 0.03 0.00 -1.16 0.00 0.00 60.37 59.02 3dvu h HIS 51 Cb 0.36 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.61 3dvu h HIS 51 CO 0.01 1.14 0.49 -0.92 0.86 0.00 0.00 177.93 179.51 3dvu h TYR 52 N 0.45 0.91 -0.47 2.45 3.20 -0.72 -2.26 116.97 120.52 3dvu h TYR 52 Ca -0.00 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.77 3dvu h TYR 52 Cb 1.11 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 3dvu h TYR 52 CO 0.09 0.52 -0.19 -0.44 -1.64 0.00 0.00 178.16 176.50 3dvu h ASP 53 N 0.95 0.95 0.18 -2.11 3.32 -1.10 0.17 116.42 118.78 3dvu h ASP 53 Ca 0.31 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3dvu h ASP 53 Cb 0.02 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 3dvu h ASP 53 CO -0.11 1.11 -0.09 0.28 -1.72 0.00 0.00 179.24 178.71 3dvu h SER 54 N 0.82 0.00 0.01 6.45 0.02 -0.95 0.58 113.55 120.48 3dvu h SER 54 Ca 0.11 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.68 3dvu h SER 54 Cb 0.74 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.21 3dvu h SER 54 CO 0.06 0.09 -2.43 0.52 -1.14 0.00 0.00 176.83 173.93 3dvu n VAL 55 N -3.95 1.47 0.02 2.27 0.31 -0.89 -4.75 118.33 112.81 3dvu n VAL 55 Ca -0.02 -0.67 0.02 0.00 -0.01 0.00 0.00 64.34 63.66 3dvu n VAL 55 Cb 0.18 -1.12 -0.03 0.00 -0.91 0.00 0.00 33.84 31.96 3dvu n VAL 55 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3dvu n TYR 56 N -3.10 0.00 -1.75 3.52 4.01 0.59 -4.98 117.16 115.45 3dvu n TYR 56 Ca -0.41 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.31 3dvu n TYR 56 Cb 1.05 -0.08 -0.00 0.00 -0.31 0.00 0.00 39.34 39.99 3dvu n TYR 56 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3dvu n ARG 57 N -1.56 -1.93 -4.30 -0.72 0.00 0.20 -4.79 116.66 103.55 3dvu n ARG 57 Ca -0.01 0.10 -0.25 0.00 -0.00 0.00 0.00 57.85 57.70 3dvu n ARG 57 Cb 0.10 -4.37 -0.07 0.00 0.00 0.00 0.00 32.46 28.12 3dvu n ARG 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3dvu n ALA 58 N -1.59 0.52 -3.78 5.13 0.00 -1.26 -5.09 120.51 114.42 3dvu n ALA 58 Ca -0.02 -1.98 -0.11 0.00 0.00 0.00 0.00 53.44 51.32 3dvu n ALA 58 Cb 0.28 1.29 -0.03 0.00 0.00 0.00 0.00 19.45 20.99 3dvu n ALA 58 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dvu n ASP 59 N -1.50 -0.91 0.15 0.00 9.92 -1.26 -4.78 116.55 118.16 3dvu n ASP 59 Ca -0.08 -2.42 0.02 0.00 -0.53 0.00 0.00 54.79 51.78 3dvu n ASP 59 Cb 0.58 1.75 0.14 0.00 -0.64 0.00 0.00 41.12 42.95 3dvu n ASP 59 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 3dvu h TYR 60 N 1.75 0.00 0.00 1.24 0.05 -2.02 -3.42 116.97 114.57 3dvu h TYR 60 Ca -0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.59 3dvu h TYR 60 Cb 0.87 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.61 3dvu h TYR 60 CO 0.00 0.53 0.00 0.41 -1.05 0.00 0.00 178.16 178.05 3dvu n GLY 61 N 0.77 0.00 0.23 3.88 0.00 -1.26 -2.05 105.19 106.76 3dvu n GLY 61 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3dvu n GLY 61 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dvu h PRO 62 N 0.00 0.22 0.00 1.61 0.11 -2.04 -2.39 132.00 129.51 3dvu h PRO 62 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3dvu h PRO 62 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 3dvu h PRO 62 CO 0.00 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 177.94 3dvu n ALA 63 N -2.62 1.62 -0.08 -0.75 0.00 -0.87 -3.35 120.51 114.45 3dvu n ALA 63 Ca 0.09 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.67 3dvu n ALA 63 Cb 0.33 -1.34 0.19 0.00 0.00 0.00 0.00 19.45 18.62 3dvu n ALA 63 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dvu n LEU 64 N -2.06 3.14 -0.26 0.00 4.77 -0.90 -4.54 117.00 117.15 3dvu n LEU 64 Ca 0.02 -1.81 0.06 0.00 -0.03 0.00 0.00 56.01 54.25 3dvu n LEU 64 Cb 0.20 -0.27 0.30 0.00 -2.33 0.00 0.00 43.42 41.32 3dvu n LEU 64 CO 0.17 0.76 1.23 0.07 -1.33 0.00 0.00 177.39 178.29 3dvu h LYS 65 N 2.95 0.86 -1.23 3.23 2.10 -1.61 -1.88 116.57 120.99 3dvu h LYS 65 Ca 0.00 -0.05 -0.68 0.00 -2.00 0.00 0.00 60.65 57.92 3dvu h LYS 65 Cb 0.80 -0.19 -0.31 0.00 -0.90 0.00 0.00 32.23 31.62 3dvu h LYS 65 CO 0.00 0.57 0.59 0.09 -2.00 0.00 0.00 179.45 178.71 3dvu n ASN 66 N -4.50 7.11 0.16 7.07 4.13 -1.26 -4.73 115.26 123.24 3dvu n ASN 66 Ca 0.13 -3.79 0.04 0.00 1.68 0.00 0.00 54.58 52.64 3dvu n ASN 66 Cb 0.25 -0.88 0.47 0.00 -1.54 0.00 0.00 39.78 38.08 3dvu n ASN 66 CO 0.00 0.00 0.00 4.11 0.28 0.00 0.00 177.26 181.65 3dvu h TRP 67 N 2.30 0.15 0.00 3.10 5.08 -1.63 -1.12 115.95 123.83 3dvu h TRP 67 Ca 0.55 -0.01 -0.01 0.00 1.08 0.00 0.00 58.89 60.50 3dvu h TRP 67 Cb 0.73 -0.05 -0.00 0.00 -3.00 0.00 0.00 29.16 26.84 3dvu h TRP 67 CO 1.26 0.25 -0.03 0.87 -1.28 0.00 0.00 178.44 179.51 3dvu h LYS 68 N 0.15 0.00 0.00 0.12 1.57 -1.86 -0.95 116.57 115.60 3dvu h LYS 68 Ca 0.03 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.57 3dvu h LYS 68 Cb 0.26 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 3dvu h LYS 68 CO 0.01 0.03 -1.92 -2.13 -0.57 0.00 0.00 179.45 174.88 3dvu n ARG 69 N -3.29 1.48 -0.00 3.15 0.63 -0.86 -4.78 116.66 112.98 3dvu n ARG 69 Ca -0.02 0.02 0.09 0.00 -0.92 0.00 0.00 57.85 57.02 3dvu n ARG 69 Cb 0.16 -1.34 -0.12 0.00 0.45 0.00 0.00 32.46 31.62 3dvu n ARG 69 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3dvu n ASP 70 N -2.62 0.81 -0.31 6.15 8.00 -0.48 -4.69 116.55 123.41 3dvu n ASP 70 Ca -0.24 -0.56 0.13 0.00 0.71 0.00 0.00 54.79 54.84 3dvu n ASP 70 Cb 0.90 1.34 0.28 0.00 -0.02 0.00 0.00 41.12 43.62 3dvu n ASP 70 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3dvu h LEU 71 N 0.00 -0.22 -1.41 0.64 5.85 -1.39 0.11 115.31 118.89 3dvu h LEU 71 Ca 0.00 0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 3dvu h LEU 71 Cb 0.59 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3dvu h LEU 71 CO 0.00 -0.25 -0.29 0.28 -0.34 0.00 0.00 178.44 177.83 3dvu h SER 72 N 0.10 0.00 0.28 1.25 0.02 -1.84 -1.66 113.55 111.71 3dvu h SER 72 Ca 0.56 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 61.29 3dvu h SER 72 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3dvu h SER 72 CO -0.77 0.29 -0.94 0.11 -1.14 0.00 0.00 176.83 174.39 3dvu h LYS 73 N 0.00 0.45 -0.22 3.45 1.57 -1.14 -1.14 116.57 119.54 3dvu h LYS 73 Ca -0.00 -0.47 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 3dvu h LYS 73 Cb 0.52 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3dvu h LYS 73 CO 0.04 1.13 0.09 1.25 -0.57 0.00 0.00 179.45 181.38 3dvu h LEU 74 N 0.26 0.30 -0.40 2.94 5.85 -0.93 0.84 115.31 124.17 3dvu h LEU 74 Ca -0.08 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 3dvu h LEU 74 Cb 1.57 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 3dvu h LEU 74 CO 0.17 0.38 0.03 -0.26 -0.34 0.00 0.00 178.44 178.41 3dvu h PHE 75 N 0.20 0.73 -0.31 1.25 0.05 -1.31 0.22 116.94 117.77 3dvu h PHE 75 Ca 0.07 -0.12 0.02 0.00 3.82 0.00 0.00 57.97 61.77 3dvu h PHE 75 Cb 0.17 -0.20 -0.03 0.00 2.00 0.00 0.00 35.95 37.90 3dvu h PHE 75 CO -0.01 0.74 0.16 1.15 -0.18 0.00 0.00 178.31 180.17 3dvu h THR 76 N 0.52 0.99 -0.62 -1.55 2.02 -1.10 -2.40 112.91 110.77 3dvu h THR 76 Ca 0.12 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3dvu h THR 76 Cb 0.43 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 3dvu h THR 76 CO 0.01 0.06 0.31 -1.28 0.37 0.00 0.00 175.52 174.99 3dvu h SER 77 N 0.33 0.80 -0.76 4.18 0.87 -0.65 -1.91 113.55 116.40 3dvu h SER 77 Ca 0.13 -0.12 0.08 0.00 -1.23 0.00 0.00 61.79 60.65 3dvu h SER 77 Cb 0.04 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 61.75 3dvu h SER 77 CO -0.09 0.70 0.50 0.25 -0.53 0.00 0.00 176.83 177.66 3dvu h LEU 78 N 0.84 0.66 -3.36 2.23 5.85 -0.14 -2.60 115.31 118.79 3dvu h LEU 78 Ca 0.21 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.77 3dvu h LEU 78 Cb 0.10 -0.13 -0.11 0.00 0.37 0.00 0.00 40.66 40.89 3dvu h LEU 78 CO -0.03 0.41 -0.06 0.49 -0.34 0.00 0.00 178.44 178.92 3dvu n PHE 79 N -4.49 1.13 -0.08 1.25 3.01 -0.94 -4.72 117.46 112.61 3dvu n PHE 79 Ca 0.12 -1.56 -0.13 0.00 1.01 0.00 0.00 57.45 56.89 3dvu n PHE 79 Cb 0.28 -0.49 -0.05 0.00 -0.01 0.00 0.00 39.48 39.20 3dvu n PHE 79 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 3dvu h VAL 80 N 1.05 1.31 0.08 -4.37 3.04 -0.94 -3.38 116.25 113.04 3dvu h VAL 80 Ca 0.22 -1.33 -0.37 0.00 -1.01 0.00 0.00 66.70 64.21 3dvu h VAL 80 Cb 1.68 1.63 -0.04 0.00 -2.01 0.00 0.00 31.29 32.56 3dvu h VAL 80 CO 0.40 0.41 -2.12 -0.90 -1.01 0.00 0.00 177.57 174.35 3dvu n ASP 81 N -4.41 1.93 -3.51 3.17 3.85 -1.26 -5.04 116.55 111.28 3dvu n ASP 81 Ca -0.04 0.12 -0.14 0.00 -0.71 0.00 0.00 54.79 54.02 3dvu n ASP 81 Cb 0.40 -0.62 -0.04 0.00 -1.35 0.00 0.00 41.12 39.51 3dvu n ASP 81 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3dvu s VAL 82 N -2.55 0.02 -0.13 2.12 0.11 -1.26 -5.15 120.40 113.56 3dvu s VAL 82 Ca -0.24 -0.13 0.03 0.00 -2.93 0.00 0.00 61.98 58.70 3dvu s VAL 82 Cb 0.07 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.93 3dvu s VAL 82 CO 0.73 -0.07 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.59 3dvu s ILE 83 N -2.78 1.95 0.29 7.04 1.01 -1.26 -4.61 121.20 122.84 3dvu s ILE 83 Ca -0.03 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 3dvu s ILE 83 Cb -0.00 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 3dvu s ILE 83 CO -0.04 0.53 0.36 0.54 0.00 0.00 0.00 174.94 176.33 3dvu s ASN 84 N 0.77 0.61 0.13 3.58 2.20 -1.26 -5.07 114.94 115.91 3dvu s ASN 84 Ca -0.09 -1.38 -0.20 0.00 -0.94 0.00 0.00 52.86 50.26 3dvu s ASN 84 Cb -0.16 0.56 -0.02 0.00 -2.00 0.00 0.00 41.25 39.64 3dvu s ASN 84 CO -0.00 -1.12 1.70 0.28 -2.94 0.00 0.00 177.10 175.02 3dvu h SER 85 N 2.27 -0.23 -0.75 3.54 0.02 -1.99 -2.74 113.55 113.66 3dvu h SER 85 Ca -0.29 0.07 0.08 0.00 -0.84 0.00 0.00 61.79 60.80 3dvu h SER 85 Cb 1.24 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.86 3dvu h SER 85 CO 0.41 -0.08 0.42 1.23 -1.14 0.00 0.00 176.83 177.67 3dvu h GLY 86 N -0.02 1.14 1.90 -3.77 0.00 -1.99 -1.48 103.07 98.84 3dvu h GLY 86 Ca 0.10 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 3dvu h GLY 86 CO -0.23 0.14 -0.54 3.21 0.00 0.00 0.00 176.54 179.13 3dvu h ARG 87 N 0.74 0.11 0.00 4.80 3.08 -1.95 -1.84 114.38 119.32 3dvu h ARG 87 Ca 0.35 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.24 3dvu h ARG 87 Cb 0.27 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3dvu h ARG 87 CO -0.22 0.62 -0.46 0.82 -1.07 0.00 0.00 179.97 179.66 3dvu h ILE 88 N 0.09 1.21 -0.03 2.04 2.04 -1.09 -0.20 117.51 121.57 3dvu h ILE 88 Ca -0.00 -1.64 -0.17 0.00 1.00 0.00 0.00 64.86 64.05 3dvu h ILE 88 Cb 0.98 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 3dvu h ILE 88 CO 0.08 0.45 -0.74 0.58 0.00 0.00 0.00 178.15 178.52 3dvu h VAL 89 N 0.00 1.44 -0.17 1.67 2.07 -0.82 -2.63 116.25 117.82 3dvu h VAL 89 Ca -0.00 -2.30 -0.12 0.00 0.82 0.00 0.00 66.70 65.09 3dvu h VAL 89 Cb 0.88 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 3dvu h VAL 89 CO 0.06 0.67 -0.42 1.23 0.02 0.00 0.00 177.57 179.14 3dvu h GLY 90 N 1.69 0.42 0.84 2.17 0.00 -0.68 -0.66 103.07 106.85 3dvu h GLY 90 Ca -0.02 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 46.92 3dvu h GLY 90 CO 0.11 0.37 0.11 -2.75 0.00 0.00 0.00 176.54 174.39 3dvu h PHE 91 N 0.32 0.21 -0.01 5.60 3.57 -0.81 -1.12 116.94 124.71 3dvu h PHE 91 Ca 0.03 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.37 3dvu h PHE 91 Cb 0.87 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 3dvu h PHE 91 CO 0.02 0.11 -0.76 0.74 -2.23 0.00 0.00 178.31 176.20 3dvu h PHE 92 N 0.25 0.12 0.00 0.41 0.04 -1.33 -2.96 116.94 113.47 3dvu h PHE 92 Ca 0.11 -0.06 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 3dvu h PHE 92 Cb 0.06 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3dvu h PHE 92 CO -0.11 0.80 -0.40 0.22 -0.60 0.00 0.00 178.31 178.22 3dvu h ASP 93 N 0.05 0.00 0.06 2.17 3.58 -0.82 0.40 116.42 121.86 3dvu h ASP 93 Ca -0.02 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 3dvu h ASP 93 Cb 1.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.38 3dvu h ASP 93 CO 0.11 0.40 -0.03 0.58 -2.88 0.00 0.00 179.24 177.42 3dvu h VAL 94 N 0.00 1.24 -0.91 2.25 2.07 -1.18 -1.64 116.25 118.08 3dvu h VAL 94 Ca -0.00 -1.11 0.14 0.00 0.82 0.00 0.00 66.70 66.54 3dvu h VAL 94 Cb 0.98 1.95 -0.07 0.00 -1.52 0.00 0.00 31.29 32.63 3dvu h VAL 94 CO 0.05 0.27 0.58 1.23 0.02 0.00 0.00 177.57 179.73 3dvu h GLY 95 N -0.59 1.30 1.69 2.17 0.00 -1.33 0.88 103.07 107.20 3dvu h GLY 95 Ca -0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 3dvu h GLY 95 CO 0.01 0.11 -0.29 -0.09 0.00 0.00 0.00 176.54 176.28 3dvu h ARG 96 N 0.76 0.35 -0.52 4.80 2.43 -0.76 -2.70 114.38 118.75 3dvu h ARG 96 Ca 0.46 -0.14 -0.11 0.00 -0.81 0.00 0.00 59.98 59.38 3dvu h ARG 96 Cb 0.65 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 3dvu h ARG 96 CO -0.22 0.62 -0.12 -0.92 -1.51 0.00 0.00 179.97 177.82 3dvu h TYR 97 N 0.31 1.12 -0.65 2.20 3.20 0.14 -1.05 116.97 122.24 3dvu h TYR 97 Ca 0.04 -0.24 -0.03 0.00 3.14 0.00 0.00 58.73 61.64 3dvu h TYR 97 Cb 0.68 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 3dvu h TYR 97 CO 0.02 1.05 0.28 0.28 -1.64 0.00 0.00 178.16 178.15 3dvu h VAL 98 N 0.87 1.23 -0.19 1.81 2.07 -1.09 0.29 116.25 121.24 3dvu h VAL 98 Ca 0.13 -0.70 -0.20 0.00 0.82 0.00 0.00 66.70 66.76 3dvu h VAL 98 Cb 0.69 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3dvu h VAL 98 CO 0.05 0.28 -0.64 0.00 0.02 0.00 0.00 177.57 177.28 3dvu h GLU 100 N 0.51 0.62 0.00 0.00 5.08 -1.10 -3.38 114.58 116.32 3dvu h GLU 100 Ca -0.03 -0.69 0.00 0.00 -1.00 0.00 0.00 59.36 57.65 3dvu h GLU 100 Cb 1.27 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.72 3dvu h GLU 100 CO 0.14 1.28 0.00 0.39 -1.00 0.00 0.00 179.01 179.82 3dvu n GLU 101 N -3.94 3.26 -0.07 2.33 -0.58 0.10 -4.82 120.64 116.93 3dvu n GLU 101 Ca -0.11 -0.21 -0.09 0.00 -0.42 0.00 0.00 57.16 56.32 3dvu n GLU 101 Cb 0.84 -0.70 -0.06 0.00 -0.57 0.00 0.00 31.44 30.95 3dvu n GLU 101 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3dvu n VAL 102 N -0.53 0.74 -3.72 2.62 0.31 -0.71 -5.00 118.33 112.04 3dvu n VAL 102 Ca 0.00 -0.28 -0.22 0.00 -0.01 0.00 0.00 64.34 63.83 3dvu n VAL 102 Cb 0.01 -1.01 -0.02 0.00 -0.91 0.00 0.00 33.84 31.91 3dvu n VAL 102 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3dvu s LEU 103 N -5.83 4.19 0.07 7.52 1.43 0.32 -5.03 118.68 121.36 3dvu s LEU 103 Ca -0.18 0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 3dvu s LEU 103 Cb 0.05 -3.03 -0.05 0.00 0.03 0.00 0.00 46.19 43.18 3dvu s LEU 103 CO 0.29 -0.17 1.05 0.00 0.23 0.00 0.00 176.35 177.75 3dvu s PRO 105 N 0.51 3.14 0.00 0.00 0.04 -1.26 -4.37 135.00 133.06 3dvu s PRO 105 Ca 0.52 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.65 3dvu s PRO 105 Cb -0.25 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 31.99 3dvu s PRO 105 CO 0.30 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.21 3dvu n GLY 106 N -2.49 2.63 3.05 0.56 0.00 0.29 -5.00 105.19 104.22 3dvu n GLY 106 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 3dvu n GLY 106 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dvu s SER 107 N -1.62 1.00 -0.92 1.61 0.15 -1.26 -4.52 113.70 108.14 3dvu s SER 107 Ca 0.00 -0.36 -0.14 0.00 0.70 0.00 0.00 55.95 56.15 3dvu s SER 107 Cb 0.00 -0.04 0.21 0.00 -1.71 0.00 0.00 66.02 64.48 3dvu s SER 107 CO 0.00 -0.04 0.93 0.86 1.20 0.00 0.00 173.24 176.19 3dvu s TRP 108 N -0.77 3.72 0.51 3.44 -0.11 -1.26 -4.94 118.94 119.54 3dvu s TRP 108 Ca -0.02 -2.01 -0.08 0.00 1.22 0.00 0.00 56.10 55.21 3dvu s TRP 108 Cb -0.06 -3.94 0.12 0.00 -1.50 0.00 0.00 33.47 28.09 3dvu s TRP 108 CO 0.00 -1.10 0.70 0.25 -4.62 0.00 0.00 176.95 172.18 3dvu n THR 109 N 4.07 0.00 0.25 5.86 -2.24 -1.26 -4.95 114.28 116.00 3dvu n THR 109 Ca 0.19 -0.58 0.14 0.00 -2.27 0.00 0.00 64.05 61.53 3dvu n THR 109 Cb 0.46 -1.64 0.45 0.00 -2.10 0.00 0.00 70.33 67.49 3dvu n THR 109 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3dvu h GLU 110 N 0.00 0.00 -0.06 -0.78 4.39 -1.99 -2.86 114.58 113.28 3dvu h GLU 110 Ca -0.23 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.30 3dvu h GLU 110 Cb 0.65 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 3dvu h GLU 110 CO 0.17 0.03 -0.71 -0.44 -1.16 0.00 0.00 179.01 176.91 3dvu h ASP 111 N 0.00 0.37 -0.57 1.42 3.32 -1.99 -2.23 116.42 116.73 3dvu h ASP 111 Ca -0.00 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.76 3dvu h ASP 111 Cb 0.75 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 3dvu h ASP 111 CO 0.00 0.96 0.14 0.45 -1.72 0.00 0.00 179.24 179.07 3dvu h HIS 112 N 0.21 0.96 0.00 4.55 3.86 -1.87 -0.53 115.15 122.33 3dvu h HIS 112 Ca -0.02 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.03 3dvu h HIS 112 Cb 1.26 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.46 3dvu h HIS 112 CO 0.03 0.82 -0.19 0.93 0.86 0.00 0.00 177.93 180.39 3dvu h GLU 113 N 0.82 0.00 -0.05 2.45 5.08 -1.43 0.26 114.58 121.72 3dvu h GLU 113 Ca 0.18 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.29 3dvu h GLU 113 Cb 0.34 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.61 3dvu h GLU 113 CO 0.00 0.19 -0.95 1.25 -1.00 0.00 0.00 179.01 178.49 3dvu h LEU 114 N 0.00 0.92 -0.11 1.33 6.46 -0.76 -1.07 115.31 122.09 3dvu h LEU 114 Ca -0.00 -0.70 -0.01 0.00 -0.12 0.00 0.00 57.88 57.04 3dvu h LEU 114 Cb 0.39 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 3dvu h LEU 114 CO 0.02 1.50 0.03 0.25 -0.62 0.00 0.00 178.44 179.62 3dvu h LEU 115 N 0.43 0.17 0.16 2.25 6.46 -0.52 -2.26 115.31 122.00 3dvu h LEU 115 Ca -0.11 -0.22 0.01 0.00 -0.12 0.00 0.00 57.88 57.44 3dvu h LEU 115 Cb 1.60 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.47 3dvu h LEU 115 CO 0.19 0.34 -0.21 -1.13 -0.62 0.00 0.00 178.44 177.02 3dvu h ASN 116 N -0.02 -0.57 -0.71 1.25 -0.73 -0.47 -1.16 115.58 113.17 3dvu h ASN 116 Ca 0.04 0.06 0.05 0.00 1.87 0.00 0.00 56.30 58.32 3dvu h ASN 116 Cb 0.24 0.21 -0.05 0.00 0.27 0.00 0.00 38.32 38.98 3dvu h ASN 116 CO -0.00 -0.30 0.42 0.44 -0.37 0.00 0.00 177.43 177.62 3dvu h ASP 117 N -0.42 0.65 0.41 1.15 3.32 -1.19 0.40 116.42 120.74 3dvu h ASP 117 Ca 0.01 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3dvu h ASP 117 Cb 0.42 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3dvu h ASP 117 CO -0.08 0.43 -0.24 0.00 -1.72 0.00 0.00 179.24 177.63 3dvu h MET 119 N -0.62 0.98 -0.42 0.00 2.86 -1.05 -1.26 114.93 115.43 3dvu h MET 119 Ca -0.05 -0.25 -0.13 0.00 -2.06 0.00 0.00 59.70 57.21 3dvu h MET 119 Cb 0.50 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3dvu h MET 119 CO 0.06 0.91 -0.25 1.15 1.06 0.00 0.00 176.91 179.84 3dvu h THR 120 N 0.92 1.27 -0.20 2.22 2.02 -0.86 0.73 112.91 119.01 3dvu h THR 120 Ca 0.18 -1.41 -0.04 0.00 0.77 0.00 0.00 66.41 65.91 3dvu h THR 120 Cb 0.42 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 3dvu h THR 120 CO 0.01 0.48 -0.04 0.45 0.37 0.00 0.00 175.52 176.79 3dvu h HIS 121 N 0.74 0.42 -0.06 3.16 3.86 -1.00 -2.10 115.15 120.17 3dvu h HIS 121 Ca 0.09 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3dvu h HIS 121 Cb 0.83 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.19 3dvu h HIS 121 CO 0.06 0.61 0.02 0.35 0.86 0.00 0.00 177.93 179.83 3dvu h PHE 122 N 0.11 0.11 -0.75 2.45 3.57 -1.19 0.47 116.94 121.71 3dvu h PHE 122 Ca 0.05 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.63 3dvu h PHE 122 Cb 0.47 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.11 3dvu h PHE 122 CO 0.05 0.29 0.40 0.35 -2.23 0.00 0.00 178.31 177.17 3dvu h PHE 123 N -0.11 0.72 0.07 0.41 3.57 -0.87 -1.77 116.94 118.96 3dvu h PHE 123 Ca 0.02 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.43 3dvu h PHE 123 Cb 0.24 -0.21 0.01 0.00 2.79 0.00 0.00 35.95 38.78 3dvu h PHE 123 CO 0.00 0.28 -0.52 0.82 -2.23 0.00 0.00 178.31 176.66 3dvu h ILE 124 N 0.67 1.57 -0.64 1.41 2.04 -1.24 -1.89 117.51 119.44 3dvu h ILE 124 Ca 0.37 -2.35 0.18 0.00 1.00 0.00 0.00 64.86 64.05 3dvu h ILE 124 Cb 0.36 3.11 -0.03 0.00 -0.74 0.00 0.00 36.82 39.52 3dvu h ILE 124 CO -0.26 0.65 0.45 -0.33 0.00 0.00 0.00 178.15 178.67 3dvu h GLU 125 N -0.50 0.05 -0.56 2.37 4.39 0.12 -1.92 114.58 118.54 3dvu h GLU 125 Ca -0.09 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3dvu h GLU 125 Cb 1.36 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 3dvu h GLU 125 CO 0.10 0.03 0.00 0.09 -1.16 0.00 0.00 179.01 178.07 3dvu n ASN 126 N -4.37 4.53 -4.06 1.42 3.02 -0.68 -4.97 115.26 110.15 3dvu n ASN 126 Ca 0.12 -2.51 -0.33 0.00 -0.03 0.00 0.00 54.58 51.83 3dvu n ASN 126 Cb 0.67 -0.54 -0.00 0.00 -0.61 0.00 0.00 39.78 39.30 3dvu n ASN 126 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3dvu n ASN 127 N 0.81 -4.04 0.32 6.41 3.02 -0.72 -4.82 115.26 116.24 3dvu n ASN 127 Ca 0.24 -0.89 0.20 0.00 -0.03 0.00 0.00 54.58 54.11 3dvu n ASN 127 Cb 0.86 -3.26 1.04 0.00 -0.61 0.00 0.00 39.78 37.81 3dvu n ASN 127 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3dvu h LEU 128 N -1.73 0.00 -0.72 3.41 4.07 -1.60 -2.09 115.31 116.64 3dvu h LEU 128 Ca -0.58 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.26 3dvu h LEU 128 Cb 1.38 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.10 3dvu h LEU 128 CO 0.73 0.01 -0.57 0.00 -1.08 0.00 0.00 178.44 177.53 3dvu h MET 129 N 0.00 0.00 -0.74 1.13 -0.00 -1.88 -2.76 114.93 110.68 3dvu h MET 129 Ca -0.00 0.00 0.13 0.00 -0.00 0.00 0.00 59.70 59.83 3dvu h MET 129 Cb 0.15 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 31.70 3dvu h MET 129 CO 0.00 0.57 0.49 -0.91 -0.00 0.00 0.00 176.91 177.06 3dvu h ASN 130 N 0.00 0.47 0.35 -0.10 4.21 -1.75 0.30 115.58 119.07 3dvu h ASN 130 Ca -0.01 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.52 3dvu h ASN 130 Cb 1.10 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.23 3dvu h ASN 130 CO 0.07 0.26 -0.64 1.41 -1.29 0.00 0.00 177.43 177.24 3dvu n HIS 131 N -4.49 0.00 -1.19 1.19 8.25 -1.18 -4.27 115.22 113.53 3dvu n HIS 131 Ca 0.13 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.32 3dvu n HIS 131 Cb 0.45 -0.18 0.13 0.00 1.12 0.00 0.00 29.99 31.51 3dvu n HIS 131 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3dvu n PHE 132 N -1.48 2.99 0.91 4.41 3.01 0.11 -3.88 117.46 123.52 3dvu n PHE 132 Ca 0.05 -2.31 0.10 0.00 1.01 0.00 0.00 57.45 56.29 3dvu n PHE 132 Cb 0.33 -1.14 0.30 0.00 -0.01 0.00 0.00 39.48 38.96 3dvu n PHE 132 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3dvu n PRO 133 N -0.94 1.93 0.00 -1.08 -0.04 -1.18 -3.00 135.00 130.69 3dvu n PRO 133 Ca 0.58 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 3dvu n PRO 133 Cb 1.17 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 33.23 3dvu n PRO 133 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3dvu n LEU 134 N 0.64 0.76 0.00 1.53 -0.00 -1.25 -5.20 117.00 113.48 3dvu n LEU 134 Ca 0.16 0.23 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 3dvu n LEU 134 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 3dvu n LEU 134 CO 0.13 0.00 0.00 -1.84 -0.00 0.00 0.00 177.39 175.68