#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2km6 s THR 4 N 0.00 5.21 -0.12 1.12 -4.23 -1.26 -4.98 115.64 111.38 2km6 s THR 4 Ca 0.00 0.56 -0.05 0.00 -1.18 0.00 0.00 61.69 61.02 2km6 s THR 4 Cb 0.00 -3.68 -0.26 0.00 1.34 0.00 0.00 72.50 69.91 2km6 s THR 4 CO 0.00 0.22 0.37 -1.20 -0.54 0.00 0.00 174.62 173.47 2km6 n SER 5 N 4.84 2.02 0.23 3.99 7.64 -1.26 -3.49 113.62 127.60 2km6 n SER 5 Ca -0.09 0.21 -0.16 0.00 1.01 0.00 0.00 58.87 59.84 2km6 n SER 5 Cb 0.51 -0.78 -0.08 0.00 -1.01 0.00 0.00 64.21 62.85 2km6 n SER 5 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2km6 h PRO 6 N 0.06 -0.74 -0.58 1.43 0.11 -1.99 -1.10 132.00 129.19 2km6 h PRO 6 Ca -0.42 0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 2km6 h PRO 6 Cb 2.03 0.17 -0.03 0.00 0.11 0.00 0.00 31.00 33.28 2km6 h PRO 6 CO 0.08 -0.50 0.32 1.96 -0.21 0.00 0.00 178.00 179.66 2km6 h GLN 7 N -0.77 0.80 0.46 1.05 7.50 -1.98 0.26 115.11 122.42 2km6 h GLN 7 Ca -0.03 -0.08 -0.02 0.00 0.50 0.00 0.00 58.65 59.02 2km6 h GLN 7 Cb 0.69 -0.16 -0.00 0.00 0.05 0.00 0.00 27.48 28.06 2km6 h GLN 7 CO -0.06 0.59 -0.27 1.25 -1.50 0.00 0.00 178.83 178.83 2km6 h LEU 8 N 0.81 -0.67 -1.27 1.46 6.46 -1.54 0.63 115.31 121.19 2km6 h LEU 8 Ca 0.21 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.95 2km6 h LEU 8 Cb 0.02 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 2km6 h LEU 8 CO -0.03 -0.42 -0.08 -0.08 -0.62 0.00 0.00 178.44 177.20 2km6 h GLU 9 N -0.68 0.40 -0.34 1.25 4.81 -1.00 -1.77 114.58 117.25 2km6 h GLU 9 Ca -0.06 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.10 2km6 h GLU 9 Cb 0.54 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2km6 h GLU 9 CO 0.07 0.49 0.18 2.35 -0.73 0.00 0.00 179.01 181.38 2km6 h TRP 10 N 0.38 0.34 -0.41 0.92 7.01 -0.33 0.18 115.95 124.03 2km6 h TRP 10 Ca 0.08 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.06 2km6 h TRP 10 Cb 0.38 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.33 2km6 h TRP 10 CO 0.01 0.19 0.15 1.15 -2.79 0.00 0.00 178.44 177.15 2km6 h THR 11 N 0.37 1.20 0.03 2.65 2.02 0.01 0.87 112.91 120.07 2km6 h THR 11 Ca 0.14 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 2km6 h THR 11 Cb 0.04 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2km6 h THR 11 CO -0.09 0.23 -0.02 -0.07 0.37 0.00 0.00 175.52 175.95 2km6 h LEU 12 N 0.51 -0.04 -0.71 2.58 3.38 -1.27 -2.70 115.31 117.06 2km6 h LEU 12 Ca 0.13 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2km6 h LEU 12 Cb 0.21 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2km6 h LEU 12 CO -0.01 0.02 0.28 0.06 0.09 0.00 0.00 178.44 178.88 2km6 h GLN 13 N -0.10 1.07 -0.38 1.13 3.07 -0.37 -0.41 115.11 119.12 2km6 h GLN 13 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 58.65 58.54 2km6 h GLN 13 Cb 0.09 -0.17 -0.02 0.00 0.08 0.00 0.00 27.48 27.46 2km6 h GLN 13 CO 0.01 0.89 0.25 1.15 0.09 0.00 0.00 178.83 181.22 2km6 h THR 14 N 1.02 1.10 -0.03 1.86 2.02 -0.72 0.50 112.91 118.66 2km6 h THR 14 Ca 0.24 -0.18 -0.08 0.00 0.77 0.00 0.00 66.41 67.15 2km6 h THR 14 Cb 0.23 0.54 0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2km6 h THR 14 CO -0.02 0.10 -0.31 -0.07 0.37 0.00 0.00 175.52 175.59 2km6 h LEU 15 N 0.51 0.32 -0.22 2.58 3.38 -1.07 -3.16 115.31 117.66 2km6 h LEU 15 Ca 0.14 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2km6 h LEU 15 Cb -0.06 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2km6 h LEU 15 CO -0.03 0.98 0.00 0.18 0.09 0.00 0.00 178.44 179.66 2km6 n LEU 16 N -4.45 0.33 0.03 1.67 4.77 -0.22 -0.97 117.00 118.16 2km6 n LEU 16 Ca -0.09 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.57 2km6 n LEU 16 Cb 0.51 -0.50 0.21 0.00 -2.33 0.00 0.00 43.42 41.32 2km6 n LEU 16 CO 0.41 -0.29 0.39 -0.62 -1.33 0.00 0.00 177.39 175.95 2km6 n GLU 17 N -1.84 0.16 0.01 3.23 1.02 0.16 -3.77 120.64 119.61 2km6 n GLU 17 Ca 0.04 0.04 0.11 0.00 -0.02 0.00 0.00 57.16 57.33 2km6 n GLU 17 Cb 0.26 -1.59 -0.13 0.00 -0.02 0.00 0.00 31.44 29.95 2km6 n GLU 17 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2km6 n GLN 18 N -1.82 0.57 -3.86 3.49 6.02 -0.14 -4.83 117.38 116.80 2km6 n GLN 18 Ca 0.04 -0.13 -0.26 0.00 -0.01 0.00 0.00 57.00 56.65 2km6 n GLN 18 Cb 0.39 -1.56 -0.17 0.00 1.02 0.00 0.00 30.24 29.92 2km6 n GLN 18 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 2km6 s LEU 19 N -4.46 1.01 0.07 1.08 0.05 -0.65 -4.98 118.68 110.80 2km6 s LEU 19 Ca -0.05 -0.24 0.00 0.00 0.05 0.00 0.00 54.13 53.89 2km6 s LEU 19 Cb 0.14 -0.72 0.00 0.00 -2.05 0.00 0.00 46.19 43.56 2km6 s LEU 19 CO 0.88 -0.14 0.00 -0.46 -0.55 0.00 0.00 176.35 176.08 2km6 n ASN 20 N 5.01 -0.62 -0.11 1.48 0.23 -1.26 -4.51 115.26 115.47 2km6 n ASN 20 Ca -0.11 0.16 -0.06 0.00 -0.53 0.00 0.00 54.58 54.05 2km6 n ASN 20 Cb 0.50 0.88 -0.05 0.00 -2.08 0.00 0.00 39.78 39.03 2km6 n ASN 20 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2km6 h GLU 21 N 0.00 -0.12 -0.02 -3.83 4.22 -1.93 -0.65 114.58 112.25 2km6 h GLU 21 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2km6 h GLU 21 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2km6 h GLU 21 CO 0.00 -0.08 0.00 -3.47 -2.18 0.00 0.00 179.01 173.28 2km6 n ASP 22 N -4.00 1.49 0.04 1.04 2.03 -1.26 -4.66 116.55 111.23 2km6 n ASP 22 Ca -0.01 -1.31 -0.21 0.00 0.52 0.00 0.00 54.79 53.79 2km6 n ASP 22 Cb 0.15 -0.01 -0.14 0.00 -0.72 0.00 0.00 41.12 40.39 2km6 n ASP 22 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2km6 h GLU 23 N 0.74 0.30 0.00 -0.67 4.39 -1.86 -3.34 114.58 114.14 2km6 h GLU 23 Ca 0.00 -0.51 -0.07 0.00 0.34 0.00 0.00 59.36 59.12 2km6 h GLU 23 Cb 0.23 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2km6 h GLU 23 CO 0.00 1.20 -0.32 1.25 -1.16 0.00 0.00 179.01 179.97 2km6 h LEU 24 N 0.08 0.00 -0.42 1.33 5.85 -1.37 -1.62 115.31 119.16 2km6 h LEU 24 Ca -0.36 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.42 2km6 h LEU 24 Cb 2.06 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 43.04 2km6 h LEU 24 CO 0.13 0.32 0.11 0.11 -0.34 0.00 0.00 178.44 178.77 2km6 h LYS 25 N 0.00 0.24 0.31 1.25 1.57 -1.76 0.13 116.57 118.32 2km6 h LYS 25 Ca -0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2km6 h LYS 25 Cb 0.78 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2km6 h LYS 25 CO 0.04 0.16 -0.15 0.77 -0.57 0.00 0.00 179.45 179.70 2km6 h SER 26 N 0.25 -0.35 -0.53 0.86 0.02 -1.55 -2.70 113.55 109.54 2km6 h SER 26 Ca 0.20 -0.17 0.10 0.00 -0.84 0.00 0.00 61.79 61.08 2km6 h SER 26 Cb 0.23 0.09 -0.09 0.00 0.14 0.00 0.00 62.40 62.77 2km6 h SER 26 CO -0.24 0.02 -0.01 0.15 -1.14 0.00 0.00 176.83 175.61 2km6 h PHE 27 N -0.77 -0.04 -0.55 3.45 3.04 -1.01 0.34 116.94 121.39 2km6 h PHE 27 Ca -0.04 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 2km6 h PHE 27 Cb 0.51 0.10 -0.03 0.00 2.56 0.00 0.00 35.95 39.09 2km6 h PHE 27 CO 0.03 -0.13 0.33 0.87 -2.02 0.00 0.00 178.31 177.39 2km6 h LYS 28 N 0.11 0.75 -0.09 1.11 1.57 -0.79 -1.20 116.57 118.04 2km6 h LYS 28 Ca 0.27 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 2km6 h LYS 28 Cb 0.41 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2km6 h LYS 28 CO -0.45 0.54 -0.04 0.77 -0.57 0.00 0.00 179.45 179.70 2km6 h SER 29 N 0.75 0.19 -0.02 0.86 0.02 -0.94 -2.81 113.55 111.60 2km6 h SER 29 Ca 0.20 -0.41 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 2km6 h SER 29 Cb -0.02 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2km6 h SER 29 CO -0.04 0.56 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.12 2km6 h LEU 30 N -0.19 0.12 -0.29 5.07 3.38 -0.28 -0.49 115.31 122.64 2km6 h LEU 30 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2km6 h LEU 30 Cb 0.49 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2km6 h LEU 30 CO 0.01 0.17 0.00 0.17 0.09 0.00 0.00 178.44 178.88 2km6 h LEU 31 N 0.13 0.00 -0.05 1.67 8.10 -1.11 -2.23 115.31 121.82 2km6 h LEU 31 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.02 2km6 h LEU 31 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.35 2km6 h LEU 31 CO 0.00 0.00 -0.53 1.87 -4.11 0.00 0.00 178.44 175.67 2km6 n TRP 32 N -2.71 0.00 -0.01 0.17 -0.00 -0.28 -4.02 117.44 110.59 2km6 n TRP 32 Ca 0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.42 2km6 n TRP 32 Cb 0.43 -0.21 -0.14 0.00 -0.00 0.00 0.00 31.31 31.39 2km6 n TRP 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2km6 h ALA 33 N 3.07 0.66 -2.25 5.87 0.00 -0.69 -3.46 119.26 122.45 2km6 h ALA 33 Ca 0.00 -1.42 -0.47 0.00 0.00 0.00 0.00 54.91 53.03 2km6 h ALA 33 Cb 0.50 0.51 0.02 0.00 0.00 0.00 0.00 17.79 18.83 2km6 h ALA 33 CO 0.00 1.49 0.37 -0.59 0.00 0.00 0.00 179.25 180.52 2km6 s PHE 34 N -2.59 3.13 -0.31 0.00 -0.12 -1.12 -4.93 117.98 112.04 2km6 s PHE 34 Ca -0.09 1.56 -0.28 0.00 -0.05 0.00 0.00 56.93 58.07 2km6 s PHE 34 Cb 0.08 -2.97 -0.04 0.00 -0.63 0.00 0.00 43.02 39.46 2km6 s PHE 34 CO 0.81 -0.65 2.04 -1.25 -0.05 0.00 0.00 175.22 176.12 2km6 s PRO 35 N -3.49 3.10 0.23 1.99 0.04 -1.26 -4.93 135.00 130.68 2km6 s PRO 35 Ca 0.64 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 2km6 s PRO 35 Cb -0.14 -4.32 -0.09 0.00 0.04 0.00 0.00 34.50 29.99 2km6 s PRO 35 CO 0.23 -2.14 1.37 -0.51 0.04 0.00 0.00 177.00 176.00 2km6 s LEU 36 N 8.08 4.40 -0.26 -3.56 1.43 -1.26 -4.98 118.68 122.53 2km6 s LEU 36 Ca 0.90 2.54 -0.06 0.00 -1.03 0.00 0.00 54.13 56.48 2km6 s LEU 36 Cb -0.26 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.34 2km6 s LEU 36 CO 0.33 -0.61 0.03 -1.61 0.23 0.00 0.00 176.35 174.72 2km6 s GLU 37 N -0.31 3.24 0.37 1.70 2.02 -1.26 -4.64 118.70 119.83 2km6 s GLU 37 Ca 0.58 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.83 2km6 s GLU 37 Cb -0.39 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 30.61 2km6 s GLU 37 CO 0.41 -0.33 0.00 -3.47 0.02 0.00 0.00 175.26 171.89 2km6 n ASP 38 N 4.84 0.00 0.20 -0.19 2.03 -1.26 -1.47 116.55 120.70 2km6 n ASP 38 Ca -0.16 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.19 2km6 n ASP 38 Cb 0.49 0.00 0.41 0.00 -0.72 0.00 0.00 41.12 41.30 2km6 n ASP 38 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2km6 h VAL 39 N 0.00 1.19 0.00 5.18 2.07 -1.93 -1.59 116.25 121.17 2km6 h VAL 39 Ca 0.00 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2km6 h VAL 39 Cb 0.00 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2km6 h VAL 39 CO 0.00 0.31 0.00 0.18 0.02 0.00 0.00 177.57 178.08 2km6 n LEU 40 N -4.11 0.00 -3.82 2.57 4.77 -0.54 -4.29 117.00 111.58 2km6 n LEU 40 Ca -0.02 0.49 -0.42 0.00 -0.03 0.00 0.00 56.01 56.03 2km6 n LEU 40 Cb 0.36 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2km6 n LEU 40 CO 0.38 -0.05 2.53 0.00 -1.33 0.00 0.00 177.39 178.92 2km6 n GLN 41 N -1.49 2.98 0.00 3.23 6.02 -0.60 -3.42 117.38 124.09 2km6 n GLN 41 Ca 0.07 -2.78 0.00 0.00 -0.01 0.00 0.00 57.00 54.28 2km6 n GLN 41 Cb 0.30 -3.26 0.00 0.00 1.02 0.00 0.00 30.24 28.30 2km6 n GLN 41 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2km6 n LYS 42 N 5.99 0.00 -3.01 -1.09 4.81 -1.26 -5.01 118.16 118.59 2km6 n LYS 42 Ca 0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.93 2km6 n LYS 42 Cb 0.39 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.43 2km6 n LYS 42 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2km6 n THR 43 N -0.45 -3.98 -1.54 3.15 -1.04 -1.22 -4.68 114.28 104.52 2km6 n THR 43 Ca 0.00 0.71 -0.34 0.00 -2.04 0.00 0.00 64.05 62.38 2km6 n THR 43 Cb 0.00 -3.61 -0.06 0.00 -1.82 0.00 0.00 70.33 64.84 2km6 n THR 43 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2km6 n PRO 44 N 1.92 0.77 0.20 -2.82 -0.04 -1.26 -4.80 135.00 128.97 2km6 n PRO 44 Ca -0.06 -0.10 0.05 0.00 -0.04 0.00 0.00 63.50 63.34 2km6 n PRO 44 Cb 0.24 -3.06 0.41 0.00 -0.04 0.00 0.00 33.50 31.06 2km6 n PRO 44 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 2km6 h TRP 45 N 17.25 0.00 -0.45 0.54 2.91 -1.98 -1.31 115.95 132.92 2km6 h TRP 45 Ca -0.17 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.80 2km6 h TRP 45 Cb 1.24 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.87 2km6 h TRP 45 CO 1.02 0.33 0.08 1.03 -1.03 0.00 0.00 178.44 179.87 2km6 h SER 46 N 0.00 0.64 0.08 2.65 0.87 -1.99 0.65 113.55 116.45 2km6 h SER 46 Ca -0.00 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2km6 h SER 46 Cb 0.66 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2km6 h SER 46 CO 0.04 0.66 -0.04 -0.33 -0.53 0.00 0.00 176.83 176.63 2km6 h GLU 47 N 0.66 -0.10 -0.35 2.24 4.39 -1.78 -3.03 114.58 116.60 2km6 h GLU 47 Ca 0.15 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.92 2km6 h GLU 47 Cb 0.30 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.91 2km6 h GLU 47 CO 0.00 0.24 0.00 0.28 -1.16 0.00 0.00 179.01 178.38 2km6 h VAL 48 N -0.46 0.74 0.09 3.13 2.07 -0.42 -1.55 116.25 119.84 2km6 h VAL 48 Ca -0.01 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2km6 h VAL 48 Cb 0.39 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2km6 h VAL 48 CO 0.02 0.02 -0.19 -0.08 0.02 0.00 0.00 177.57 177.35 2km6 h GLU 49 N 0.10 -0.34 -0.04 1.57 4.22 0.22 -2.05 114.58 118.26 2km6 h GLU 49 Ca 0.17 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.63 2km6 h GLU 49 Cb 0.23 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2km6 h GLU 49 CO -0.29 -0.23 0.00 0.39 -2.18 0.00 0.00 179.01 176.71 2km6 n GLU 50 N -5.32 1.32 -3.62 1.92 1.02 -1.15 -4.78 120.64 110.04 2km6 n GLU 50 Ca -0.06 -0.47 -0.33 0.00 -0.02 0.00 0.00 57.16 56.28 2km6 n GLU 50 Cb 0.23 -1.43 -0.05 0.00 -0.02 0.00 0.00 31.44 30.17 2km6 n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2km6 s ALA 51 N -1.96 3.75 0.01 0.62 0.00 -0.60 -5.07 121.76 118.51 2km6 s ALA 51 Ca 0.38 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 2km6 s ALA 51 Cb 0.19 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 2km6 s ALA 51 CO 0.31 0.61 -0.00 0.16 0.00 0.00 0.00 175.76 176.84 2km6 s ASP 52 N -2.14 0.16 0.16 0.00 -4.77 -1.26 -4.76 116.67 104.06 2km6 s ASP 52 Ca 0.38 -0.36 0.00 0.00 -3.30 0.00 0.00 52.55 49.27 2km6 s ASP 52 Cb -0.13 0.10 0.00 0.00 -1.09 0.00 0.00 42.92 41.80 2km6 s ASP 52 CO 0.21 -0.24 0.00 0.61 0.70 0.00 0.00 175.17 176.45 2km6 n GLY 53 N 1.90 1.05 0.36 2.12 0.00 -1.25 -0.46 105.19 108.90 2km6 n GLY 53 Ca -0.21 0.74 -0.02 0.00 0.00 0.00 0.00 46.02 46.52 2km6 n GLY 53 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2km6 h LYS 54 N 0.00 1.26 -0.41 1.61 3.64 -1.81 -1.99 116.57 118.87 2km6 h LYS 54 Ca 0.00 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 2km6 h LYS 54 Cb 0.00 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 2km6 h LYS 54 CO 0.00 0.83 -0.08 0.87 -2.27 0.00 0.00 179.45 178.81 2km6 h LYS 55 N 1.30 0.71 -0.24 1.90 1.79 -1.15 -2.63 116.57 118.24 2km6 h LYS 55 Ca 0.35 -0.21 -0.10 0.00 -2.18 0.00 0.00 60.65 58.51 2km6 h LYS 55 Cb -0.15 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.42 2km6 h LYS 55 CO -0.08 0.78 -0.27 1.25 -1.08 0.00 0.00 179.45 180.06 2km6 h LEU 56 N 0.65 0.46 -1.07 2.94 5.85 -1.32 -2.52 115.31 120.30 2km6 h LEU 56 Ca 0.12 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2km6 h LEU 56 Cb 0.52 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 2km6 h LEU 56 CO 0.03 0.72 0.63 0.00 -0.34 0.00 0.00 178.44 179.48 2km6 h ALA 57 N 1.31 1.43 -0.03 1.25 0.00 -1.12 -1.51 119.26 120.59 2km6 h ALA 57 Ca 0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2km6 h ALA 57 Cb 0.68 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2km6 h ALA 57 CO 0.05 0.45 -0.34 1.49 0.00 0.00 0.00 179.25 180.90 2km6 h GLU 58 N 1.15 0.06 -0.05 0.00 4.81 -1.38 -2.16 114.58 117.01 2km6 h GLU 58 Ca 0.40 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.43 2km6 h GLU 58 Cb 0.12 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2km6 h GLU 58 CO -0.14 0.39 -0.74 0.82 -0.73 0.00 0.00 179.01 178.61 2km6 h ILE 59 N 0.05 1.42 -0.25 2.32 2.04 -1.19 -2.19 117.51 119.71 2km6 h ILE 59 Ca 0.01 -2.24 -0.04 0.00 1.00 0.00 0.00 64.86 63.59 2km6 h ILE 59 Cb 0.63 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2km6 h ILE 59 CO 0.05 0.66 0.00 -0.07 0.00 0.00 0.00 178.15 178.79 2km6 h LEU 60 N 0.19 0.43 -0.69 1.44 -0.00 -0.98 -2.92 115.31 112.78 2km6 h LEU 60 Ca -0.03 -0.30 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 2km6 h LEU 60 Cb 1.31 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 2km6 h LEU 60 CO 0.12 0.63 0.00 -0.37 -0.00 0.00 0.00 178.44 178.82 2km6 h VAL 61 N 0.22 0.00 0.04 1.22 -1.51 -1.34 -0.36 116.25 114.52 2km6 h VAL 61 Ca 0.07 -0.32 -0.24 0.00 -1.23 0.00 0.00 66.70 64.98 2km6 h VAL 61 Cb 0.41 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 2km6 h VAL 61 CO 0.01 0.00 -1.02 -1.13 -1.23 0.00 0.00 177.57 174.20 2km6 h ASN 62 N 0.00 0.50 0.13 4.19 -1.24 -1.21 -3.37 115.58 114.58 2km6 h ASN 62 Ca 0.00 -0.43 -0.36 0.00 0.71 0.00 0.00 56.30 56.22 2km6 h ASN 62 Cb 0.45 -0.15 -0.06 0.00 0.73 0.00 0.00 38.32 39.29 2km6 h ASN 62 CO 0.00 1.25 -2.19 0.35 -1.29 0.00 0.00 177.43 175.55 2km6 n THR 63 N -3.69 1.53 -4.36 -3.57 -2.24 -0.94 -5.01 114.28 96.01 2km6 n THR 63 Ca -0.07 -0.74 -0.19 0.00 -2.27 0.00 0.00 64.05 60.78 2km6 n THR 63 Cb 0.88 -1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 67.97 2km6 n THR 63 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2km6 s SER 64 N -6.14 1.60 0.23 3.42 0.15 -0.19 -4.77 113.70 108.00 2km6 s SER 64 Ca -0.17 -1.45 0.07 0.00 0.70 0.00 0.00 55.95 55.09 2km6 s SER 64 Cb 0.07 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.56 2km6 s SER 64 CO 0.76 -0.77 0.20 -0.44 1.20 0.00 0.00 173.24 174.18 2km6 s SER 65 N -3.38 5.57 0.43 5.45 0.01 -1.26 -4.21 113.70 116.31 2km6 s SER 65 Ca 0.36 -0.21 0.09 0.00 1.31 0.00 0.00 55.95 57.50 2km6 s SER 65 Cb 0.07 -1.44 0.94 0.00 0.21 0.00 0.00 66.02 65.79 2km6 s SER 65 CO 0.15 -0.02 2.07 1.05 0.41 0.00 0.00 173.24 176.90 2km6 h GLU 66 N 1.65 0.44 0.00 12.44 9.09 -1.95 0.13 114.58 136.39 2km6 h GLU 66 Ca -0.49 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 58.90 2km6 h GLU 66 Cb 1.23 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.23 2km6 h GLU 66 CO 0.61 0.29 0.00 -1.71 0.05 0.00 0.00 179.01 178.26 2km6 n ASN 67 N -4.48 0.62 -0.07 3.06 2.85 -1.26 -0.38 115.26 115.60 2km6 n ASN 67 Ca 0.03 0.74 -0.11 0.00 -0.11 0.00 0.00 54.58 55.12 2km6 n ASN 67 Cb 0.09 -0.84 -0.06 0.00 1.24 0.00 0.00 39.78 40.21 2km6 n ASN 67 CO 0.00 0.00 0.00 1.87 -2.11 0.00 0.00 177.26 177.02 2km6 n TRP 68 N -2.28 0.00 0.14 1.20 -0.00 -0.06 -4.61 117.44 111.84 2km6 n TRP 68 Ca -0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.50 57.64 2km6 n TRP 68 Cb 0.10 -0.50 0.67 0.00 -0.00 0.00 0.00 31.31 31.58 2km6 n TRP 68 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 2km6 h ILE 69 N -0.20 0.86 -0.42 5.87 2.04 -0.48 -1.47 117.51 123.70 2km6 h ILE 69 Ca -0.32 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.66 2km6 h ILE 69 Cb 1.40 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 2km6 h ILE 69 CO -0.11 0.00 0.35 0.08 0.00 0.00 0.00 178.15 178.47 2km6 h ARG 70 N 0.00 0.00 0.08 2.37 0.11 -0.96 0.83 114.38 116.80 2km6 h ARG 70 Ca 0.11 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.84 2km6 h ARG 70 Cb 0.46 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.51 2km6 h ARG 70 CO -0.00 0.00 -2.01 -1.71 0.10 0.00 0.00 179.97 176.34 2km6 n ASN 71 N -4.10 2.05 0.25 0.08 5.15 -0.57 -4.20 115.26 113.92 2km6 n ASN 71 Ca 0.07 0.18 -0.16 0.00 -0.60 0.00 0.00 54.58 54.08 2km6 n ASN 71 Cb 0.54 -0.79 -0.08 0.00 -0.53 0.00 0.00 39.78 38.92 2km6 n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2km6 h ALA 72 N -0.09 -0.59 -0.11 5.20 0.00 -0.98 -0.61 119.26 122.08 2km6 h ALA 72 Ca -0.46 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 2km6 h ALA 72 Cb 1.88 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 2km6 h ALA 72 CO -0.02 -0.83 -0.14 0.00 0.00 0.00 0.00 179.25 178.25 2km6 h THR 73 N -0.59 1.16 -0.05 0.00 1.03 -1.14 -2.13 112.91 111.19 2km6 h THR 73 Ca -0.06 -0.73 -0.01 0.00 -0.01 0.00 0.00 66.41 65.60 2km6 h THR 73 Cb 0.46 1.24 -0.00 0.00 -1.07 0.00 0.00 68.15 68.78 2km6 h THR 73 CO 0.09 0.22 -0.02 0.58 -0.01 0.00 0.00 175.52 176.38 2km6 h VAL 74 N 0.16 1.31 -0.93 0.00 2.07 -1.66 -2.02 116.25 115.18 2km6 h VAL 74 Ca 0.03 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.66 2km6 h VAL 74 Cb 0.35 1.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 2km6 h VAL 74 CO 0.02 0.26 0.60 -1.13 0.02 0.00 0.00 177.57 177.35 2km6 h ASN 75 N -0.28 0.92 -0.13 0.57 -0.00 -0.54 0.37 115.58 116.49 2km6 h ASN 75 Ca 0.01 0.01 -0.03 0.00 -0.00 0.00 0.00 56.30 56.29 2km6 h ASN 75 Cb 0.43 -0.18 -0.00 0.00 -0.00 0.00 0.00 38.32 38.56 2km6 h ASN 75 CO 0.01 0.58 -0.04 0.40 -0.00 0.00 0.00 177.43 178.37 2km6 h ILE 76 N 1.04 1.30 -0.86 2.57 1.08 -1.34 -0.24 117.51 121.06 2km6 h ILE 76 Ca 0.41 -1.01 -0.01 0.00 -0.39 0.00 0.00 64.86 63.86 2km6 h ILE 76 Cb 0.24 1.70 -0.04 0.00 -3.07 0.00 0.00 36.82 35.65 2km6 h ILE 76 CO -0.16 0.29 0.51 -0.07 -0.69 0.00 0.00 178.15 178.03 2km6 h LEU 77 N -0.06 1.04 -1.58 1.44 3.38 -0.57 -1.12 115.31 117.83 2km6 h LEU 77 Ca 0.03 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2km6 h LEU 77 Cb 0.48 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2km6 h LEU 77 CO 0.01 0.81 -0.23 -0.33 0.09 0.00 0.00 178.44 178.79 2km6 h GLU 78 N 1.18 0.00 0.00 1.13 5.08 -0.21 0.56 114.58 122.32 2km6 h GLU 78 Ca 0.31 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.56 2km6 h GLU 78 Cb -0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2km6 h GLU 78 CO -0.06 0.23 -0.50 1.49 -1.00 0.00 0.00 179.01 179.17 2km6 h GLU 79 N 0.00 0.00 -0.01 2.33 4.57 0.16 -2.55 114.58 119.08 2km6 h GLU 79 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2km6 h GLU 79 Cb 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2km6 h GLU 79 CO 0.03 0.50 -0.24 -1.33 -1.18 0.00 0.00 179.01 176.79 2km6 n MET 80 N -3.32 0.98 -2.89 1.92 2.81 -0.69 -4.92 117.12 111.01 2km6 n MET 80 Ca 0.01 -0.60 -0.19 0.00 -1.81 0.00 0.00 57.70 55.11 2km6 n MET 80 Cb 0.68 -1.49 0.03 0.00 -0.71 0.00 0.00 33.22 31.74 2km6 n MET 80 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2km6 n ASN 81 N -0.48 -5.41 -3.24 7.83 5.15 -0.68 -4.89 115.26 113.54 2km6 n ASN 81 Ca 0.13 -0.24 -0.37 0.00 -0.60 0.00 0.00 54.58 53.50 2km6 n ASN 81 Cb 0.36 -4.25 -0.03 0.00 -0.53 0.00 0.00 39.78 35.34 2km6 n ASN 81 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2km6 n LEU 82 N -3.42 7.91 -0.00 1.20 4.77 0.10 -4.79 117.00 122.77 2km6 n LEU 82 Ca -0.10 -4.57 -0.09 0.00 -0.03 0.00 0.00 56.01 51.23 2km6 n LEU 82 Cb 0.60 -1.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.23 2km6 n LEU 82 CO 0.40 2.01 0.50 0.71 -1.33 0.00 0.00 177.39 179.68 2km6 h THR 83 N 2.60 0.00 -0.88 -5.08 1.35 -1.90 -0.07 112.91 108.93 2km6 h THR 83 Ca 0.69 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 66.63 2km6 h THR 83 Cb 0.41 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 66.72 2km6 h THR 83 CO 1.42 0.00 -0.57 1.05 -0.25 0.00 0.00 175.52 177.17 2km6 h GLU 84 N -0.35 -0.08 0.00 4.72 4.11 -1.99 0.36 114.58 121.35 2km6 h GLU 84 Ca 0.02 0.01 -0.08 0.00 0.07 0.00 0.00 59.36 59.37 2km6 h GLU 84 Cb 0.41 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2km6 h GLU 84 CO -0.26 -0.05 -0.55 1.37 0.07 0.00 0.00 179.01 179.59 2km6 h LEU 85 N -0.08 0.00 -0.64 3.06 -0.00 -1.97 -3.18 115.31 112.50 2km6 h LEU 85 Ca 0.15 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.93 2km6 h LEU 85 Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.10 2km6 h LEU 85 CO -0.87 0.36 -0.05 0.00 -0.00 0.00 0.00 178.44 177.88 2km6 n LYS 87 N -4.16 0.18 0.01 0.00 5.02 0.11 0.01 118.16 119.33 2km6 n LYS 87 Ca 0.02 0.47 -0.19 0.00 -2.02 0.00 0.00 58.31 56.60 2km6 n LYS 87 Cb 0.37 -1.89 -0.14 0.00 -0.02 0.00 0.00 35.03 33.35 2km6 n LYS 87 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 2km6 h MET 88 N 0.00 0.20 -0.83 1.97 2.86 -1.26 -3.15 114.93 114.73 2km6 h MET 88 Ca 0.00 -0.34 -0.03 0.00 -2.06 0.00 0.00 59.70 57.27 2km6 h MET 88 Cb 0.29 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 2km6 h MET 88 CO 0.00 1.16 0.40 0.00 1.06 0.00 0.00 176.91 179.53 2km6 h ALA 89 N 0.02 1.07 0.00 6.32 0.00 0.05 0.22 119.26 126.94 2km6 h ALA 89 Ca -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2km6 h ALA 89 Cb 1.46 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2km6 h ALA 89 CO 0.08 0.63 0.00 1.63 0.00 0.00 0.00 179.25 181.59 2km6 n LYS 90 N -4.33 0.10 -0.00 0.00 5.02 0.10 -0.07 118.16 118.97 2km6 n LYS 90 Ca 0.08 0.32 0.05 0.00 -2.02 0.00 0.00 58.31 56.74 2km6 n LYS 90 Cb 0.14 -1.68 -0.06 0.00 -0.02 0.00 0.00 35.03 33.41 2km6 n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2km6 n ALA 91 N -1.63 3.39 0.05 7.82 0.00 -0.32 -3.42 120.51 126.40 2km6 n ALA 91 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2km6 n ALA 91 Cb 0.21 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.26 2km6 n ALA 91 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2km6 n GLU 92 N -1.29 0.00 -0.18 0.00 1.02 0.63 -4.71 120.64 116.12 2km6 n GLU 92 Ca 0.02 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.06 2km6 n GLU 92 Cb 0.18 -0.48 0.02 0.00 -0.02 0.00 0.00 31.44 31.14 2km6 n GLU 92 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2km6 h MET 93 N 0.00 1.02 -6.18 3.49 2.86 -0.67 -3.38 114.93 112.06 2km6 h MET 93 Ca 0.00 -0.38 -0.57 0.00 -2.06 0.00 0.00 59.70 56.69 2km6 h MET 93 Cb 0.08 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 2km6 h MET 93 CO 0.00 1.07 0.78 -1.64 1.06 0.00 0.00 176.91 178.18 2km6 s MET 94 N -4.82 4.29 -0.64 1.72 -1.94 -0.37 -4.65 119.30 112.89 2km6 s MET 94 Ca -0.11 1.54 -0.28 0.00 -1.71 0.00 0.00 55.69 55.14 2km6 s MET 94 Cb 0.13 -3.65 0.02 0.00 2.01 0.00 0.00 34.83 33.34 2km6 s MET 94 CO 0.86 -0.57 1.33 -1.83 -0.01 0.00 0.00 175.02 174.80 2km6 s GLU 95 N 2.92 3.27 -0.52 2.03 -1.05 -1.26 -3.30 118.70 120.79 2km6 s GLU 95 Ca 0.51 0.13 -0.11 0.00 -0.15 0.00 0.00 54.97 55.35 2km6 s GLU 95 Cb -0.20 -4.13 0.01 0.00 -0.44 0.00 0.00 34.13 29.37 2km6 s GLU 95 CO 0.14 -2.01 0.63 -3.47 0.95 0.00 0.00 175.26 171.51 2km6 n ASP 96 N 9.40 -7.89 -4.53 0.83 2.03 -1.26 -5.06 116.55 110.08 2km6 n ASP 96 Ca 0.08 0.35 -0.28 0.00 0.52 0.00 0.00 54.79 55.46 2km6 n ASP 96 Cb 0.49 -5.34 -0.10 0.00 -0.72 0.00 0.00 41.12 35.45 2km6 n ASP 96 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2km6 s GLY 97 N -2.71 1.72 0.00 0.27 0.00 -1.21 -5.09 107.32 100.30 2km6 s GLY 97 Ca 0.18 -1.40 0.30 0.00 0.00 0.00 0.00 44.72 43.80 2km6 s GLY 97 CO 0.77 -1.40 2.02 0.61 0.00 0.00 0.00 173.10 175.10