#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2km6 n THR 4 N 0.00 0.26 -0.03 1.12 -2.24 -1.26 -4.91 114.28 107.22 2km6 n THR 4 Ca 0.00 -0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.61 2km6 n THR 4 Cb 0.00 -1.22 -0.07 0.00 -2.10 0.00 0.00 70.33 66.93 2km6 n THR 4 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2km6 h SER 5 N 6.78 0.17 -0.61 3.42 4.64 -2.05 -1.28 113.55 124.62 2km6 h SER 5 Ca -0.47 -0.35 0.08 0.00 -0.47 0.00 0.00 61.79 60.57 2km6 h SER 5 Cb 1.31 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 2km6 h SER 5 CO 0.91 0.48 0.28 -0.65 -0.87 0.00 0.00 176.83 176.98 2km6 h PRO 6 N -0.15 0.49 0.00 4.77 0.11 -1.98 0.35 132.00 135.58 2km6 h PRO 6 Ca 0.02 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.99 2km6 h PRO 6 Cb 0.41 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 2km6 h PRO 6 CO 0.01 0.32 -0.54 1.96 -0.21 0.00 0.00 178.00 179.54 2km6 h GLN 7 N 0.50 0.00 -0.06 1.05 4.20 -1.96 0.25 115.11 119.09 2km6 h GLN 7 Ca 0.29 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.98 2km6 h GLN 7 Cb 0.29 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 2km6 h GLN 7 CO -0.24 0.54 -0.05 1.25 -0.67 0.00 0.00 178.83 179.66 2km6 h LEU 8 N 0.00 0.14 -1.10 1.46 7.12 -0.33 -0.46 115.31 122.14 2km6 h LEU 8 Ca -0.01 -0.46 -0.04 0.00 0.13 0.00 0.00 57.88 57.50 2km6 h LEU 8 Cb 1.09 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 41.15 2km6 h LEU 8 CO 0.07 0.57 0.14 -0.08 -0.13 0.00 0.00 178.44 179.01 2km6 h GLU 9 N -0.29 0.78 -0.32 1.25 4.81 -0.15 -1.06 114.58 119.60 2km6 h GLU 9 Ca 0.01 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 2km6 h GLU 9 Cb 0.53 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 2km6 h GLU 9 CO 0.01 0.69 0.14 2.35 -0.73 0.00 0.00 179.01 181.47 2km6 h TRP 10 N 0.76 0.25 -0.43 0.92 7.01 -0.36 0.20 115.95 124.30 2km6 h TRP 10 Ca 0.17 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.19 2km6 h TRP 10 Cb 0.26 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 2km6 h TRP 10 CO 0.01 0.13 0.27 1.15 -2.79 0.00 0.00 178.44 177.21 2km6 h THR 11 N 0.30 1.13 -0.03 2.65 2.02 0.02 0.13 112.91 119.13 2km6 h THR 11 Ca 0.14 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 2km6 h THR 11 Cb 0.07 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2km6 h THR 11 CO -0.11 0.13 0.02 -0.07 0.37 0.00 0.00 175.52 175.85 2km6 h LEU 12 N 0.57 0.04 -0.97 2.58 3.38 -1.01 -2.42 115.31 117.48 2km6 h LEU 12 Ca 0.15 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2km6 h LEU 12 Cb -0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2km6 h LEU 12 CO -0.03 0.10 0.14 0.06 0.09 0.00 0.00 178.44 178.80 2km6 h GLN 13 N -0.03 0.89 -0.32 1.13 3.07 -0.25 -0.32 115.11 119.27 2km6 h GLN 13 Ca 0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 58.65 58.53 2km6 h GLN 13 Cb 0.07 -0.13 -0.02 0.00 0.08 0.00 0.00 27.48 27.48 2km6 h GLN 13 CO -0.00 0.80 0.05 1.15 0.09 0.00 0.00 178.83 180.91 2km6 h THR 14 N 0.85 1.17 -0.03 1.86 2.02 -0.54 0.67 112.91 118.91 2km6 h THR 14 Ca 0.19 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.68 2km6 h THR 14 Cb 0.31 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2km6 h THR 14 CO -0.00 0.22 -0.20 -0.07 0.37 0.00 0.00 175.52 175.84 2km6 h LEU 15 N 0.47 0.23 -0.32 2.58 3.38 -0.88 -3.06 115.31 117.71 2km6 h LEU 15 Ca 0.11 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2km6 h LEU 15 Cb 0.23 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2km6 h LEU 15 CO 0.00 0.87 0.00 0.18 0.09 0.00 0.00 178.44 179.58 2km6 n LEU 16 N -4.56 0.59 0.18 1.67 4.32 -0.20 -1.27 117.00 117.73 2km6 n LEU 16 Ca -0.09 0.60 0.12 0.00 -0.02 0.00 0.00 56.01 56.62 2km6 n LEU 16 Cb 0.44 -0.47 0.11 0.00 -1.62 0.00 0.00 43.42 41.88 2km6 n LEU 16 CO 0.38 -0.35 0.53 -0.33 -1.22 0.00 0.00 177.39 176.41 2km6 h GLU 17 N 0.00 0.00 0.21 3.23 5.08 0.30 -3.29 114.58 120.11 2km6 h GLU 17 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 2km6 h GLU 17 Cb 0.49 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.76 2km6 h GLU 17 CO 0.00 0.00 -1.68 1.96 -1.00 0.00 0.00 179.01 178.29 2km6 h GLN 18 N 0.00 0.44 -4.76 2.33 4.20 -1.12 -3.44 115.11 112.77 2km6 h GLN 18 Ca -0.00 -0.75 -0.68 0.00 0.06 0.00 0.00 58.65 57.27 2km6 h GLN 18 Cb 1.00 0.28 -0.29 0.00 0.30 0.00 0.00 27.48 28.78 2km6 h GLN 18 CO 0.00 1.36 -0.64 -0.48 -0.67 0.00 0.00 178.83 178.40 2km6 s LEU 19 N -7.39 3.96 0.00 1.46 0.05 -0.39 -4.79 118.68 111.58 2km6 s LEU 19 Ca -0.14 -0.97 0.00 0.00 0.05 0.00 0.00 54.13 53.07 2km6 s LEU 19 Cb 0.05 -1.83 0.00 0.00 -2.05 0.00 0.00 46.19 42.36 2km6 s LEU 19 CO 0.88 -0.25 0.00 -0.46 -0.55 0.00 0.00 176.35 175.97 2km6 n ASN 20 N 4.79 0.00 0.00 1.48 0.23 -1.26 -4.50 115.26 116.01 2km6 n ASN 20 Ca -0.14 0.00 -0.00 0.00 -0.53 0.00 0.00 54.58 53.91 2km6 n ASN 20 Cb 0.46 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.16 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 -0.01 0.00 -3.83 4.81 -1.93 -3.28 114.58 110.34 2km6 h GLU 21 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2km6 h GLU 21 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2km6 h GLU 21 CO 0.00 -0.01 -0.63 -3.47 -0.73 0.00 0.00 179.01 174.17 2km6 n ASP 22 N -2.54 2.84 -0.31 1.04 -0.08 -1.26 -4.73 116.55 111.51 2km6 n ASP 22 Ca -0.00 -0.21 0.04 0.00 -1.51 0.00 0.00 54.79 53.10 2km6 n ASP 22 Cb 0.01 1.02 0.24 0.00 2.34 0.00 0.00 41.12 44.73 2km6 n ASP 22 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2km6 h GLU 23 N 0.00 1.00 -0.13 -0.67 4.39 -1.91 -1.91 114.58 115.35 2km6 h GLU 23 Ca 0.00 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 2km6 h GLU 23 Cb 0.03 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 2km6 h GLU 23 CO 0.00 0.66 -0.22 1.25 -1.16 0.00 0.00 179.01 179.55 2km6 h LEU 24 N 1.03 0.22 -0.88 1.33 5.85 -1.79 -1.56 115.31 119.51 2km6 h LEU 24 Ca 0.39 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 59.01 2km6 h LEU 24 Cb 0.21 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2km6 h LEU 24 CO -0.15 0.45 0.24 0.11 -0.34 0.00 0.00 178.44 178.76 2km6 h LYS 25 N 0.21 1.07 0.12 1.25 1.57 -1.62 0.23 116.57 119.40 2km6 h LYS 25 Ca 0.04 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2km6 h LYS 25 Cb 0.51 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2km6 h LYS 25 CO 0.03 0.89 -0.06 0.77 -0.57 0.00 0.00 179.45 180.52 2km6 h SER 26 N 1.03 -0.14 -0.42 0.86 0.02 -1.45 -2.92 113.55 110.53 2km6 h SER 26 Ca 0.23 -0.29 0.07 0.00 -0.84 0.00 0.00 61.79 60.96 2km6 h SER 26 Cb 0.25 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 2km6 h SER 26 CO -0.01 0.22 0.07 0.15 -1.14 0.00 0.00 176.83 176.12 2km6 h PHE 27 N -0.53 0.11 -0.23 3.45 3.04 -0.70 0.20 116.94 122.28 2km6 h PHE 27 Ca -0.02 0.03 0.06 0.00 3.98 0.00 0.00 57.97 62.01 2km6 h PHE 27 Cb 0.42 0.01 -0.06 0.00 2.56 0.00 0.00 35.95 38.88 2km6 h PHE 27 CO 0.04 -0.00 -0.15 0.87 -2.02 0.00 0.00 178.31 177.05 2km6 h LYS 28 N 0.20 -0.13 0.01 1.11 1.57 -0.62 -1.54 116.57 117.17 2km6 h LYS 28 Ca 0.20 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2km6 h LYS 28 Cb 0.26 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2km6 h LYS 28 CO -0.28 -0.09 -0.00 0.77 -0.57 0.00 0.00 179.45 179.28 2km6 h SER 29 N -0.13 -0.01 -0.89 0.86 0.02 -1.17 -2.34 113.55 109.88 2km6 h SER 29 Ca 0.13 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 2km6 h SER 29 Cb 0.33 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 2km6 h SER 29 CO -0.31 0.14 0.59 -0.07 -1.14 0.00 0.00 176.83 176.03 2km6 h LEU 30 N -0.16 0.95 -0.10 5.07 3.38 -0.46 -0.83 115.31 123.16 2km6 h LEU 30 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2km6 h LEU 30 Cb 0.15 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2km6 h LEU 30 CO 0.00 0.64 0.00 0.17 0.09 0.00 0.00 178.44 179.35 2km6 h LEU 31 N 1.10 0.00 -0.04 1.67 8.10 -1.15 -2.23 115.31 122.75 2km6 h LEU 31 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.35 2km6 h LEU 31 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.28 2km6 h LEU 31 CO -0.11 0.00 -0.48 1.87 -4.11 0.00 0.00 178.44 175.60 2km6 n TRP 32 N -2.32 0.00 0.03 0.17 -0.00 -0.44 -4.04 117.44 110.84 2km6 n TRP 32 Ca 0.05 0.00 -0.19 0.00 -0.00 0.00 0.00 57.50 57.36 2km6 n TRP 32 Cb 0.41 -0.24 -0.14 0.00 -0.00 0.00 0.00 31.31 31.34 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 3.06 -0.06 -2.71 5.87 0.00 -0.59 -3.46 119.26 121.37 2km6 h ALA 33 Ca 0.00 -0.69 -0.51 0.00 0.00 0.00 0.00 54.91 53.71 2km6 h ALA 33 Cb 0.50 0.11 0.05 0.00 0.00 0.00 0.00 17.79 18.45 2km6 h ALA 33 CO 0.00 0.35 0.50 -0.59 0.00 0.00 0.00 179.25 179.51 2km6 s PHE 34 N -2.40 3.01 -0.41 0.00 -0.12 -1.20 -4.92 117.98 111.94 2km6 s PHE 34 Ca -0.15 1.55 -0.28 0.00 -0.05 0.00 0.00 56.93 58.00 2km6 s PHE 34 Cb 0.01 -3.39 -0.01 0.00 -0.63 0.00 0.00 43.02 39.00 2km6 s PHE 34 CO 0.81 -1.37 1.63 -1.25 -0.05 0.00 0.00 175.22 174.99 2km6 s PRO 35 N -2.42 3.35 0.06 1.99 0.04 -1.26 -4.95 135.00 131.80 2km6 s PRO 35 Ca 0.59 1.09 -0.31 0.00 0.04 0.00 0.00 61.00 62.41 2km6 s PRO 35 Cb -0.30 -4.15 -0.07 0.00 0.04 0.00 0.00 34.50 30.02 2km6 s PRO 35 CO 0.37 -1.84 1.51 -0.51 0.04 0.00 0.00 177.00 176.58 2km6 s LEU 36 N 6.49 4.35 0.00 -3.56 1.43 -1.26 -4.97 118.68 121.16 2km6 s LEU 36 Ca 0.69 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 56.13 2km6 s LEU 36 Cb -0.17 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.48 2km6 s LEU 36 CO 0.31 -0.78 0.01 -0.62 0.23 0.00 0.00 176.35 175.50 2km6 n GLU 37 N 5.15 0.00 -4.23 1.70 1.02 -1.26 -4.77 120.64 118.25 2km6 n GLU 37 Ca 0.14 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.15 2km6 n GLU 37 Cb 0.42 -0.33 -0.10 0.00 -0.02 0.00 0.00 31.44 31.41 2km6 n GLU 37 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2km6 s ASP 38 N -1.03 1.01 0.00 1.62 2.15 -1.26 -4.83 116.67 114.33 2km6 s ASP 38 Ca 0.00 -1.21 0.00 0.00 0.43 0.00 0.00 52.55 51.77 2km6 s ASP 38 Cb 0.00 0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.78 2km6 s ASP 38 CO 0.00 -0.62 0.00 0.52 -0.17 0.00 0.00 175.17 174.90 2km6 n VAL 39 N -0.24 0.00 0.00 1.11 0.31 -1.26 -4.79 118.33 113.46 2km6 n VAL 39 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2km6 n VAL 39 Cb 0.64 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 2km6 n VAL 39 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2km6 n LEU 40 N 0.00 0.00 0.00 7.52 4.77 -1.26 -4.55 117.00 123.48 2km6 n LEU 40 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2km6 n LEU 40 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2km6 n LEU 40 CO 0.00 -0.02 0.00 1.67 -1.33 0.00 0.00 177.39 177.71 2km6 n GLN 41 N 0.00 0.00 -0.06 3.23 7.27 -1.26 -4.28 117.38 122.28 2km6 n GLN 41 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.14 2km6 n GLN 41 Cb 0.00 -0.05 0.32 0.00 2.41 0.00 0.00 30.24 32.92 2km6 n GLN 41 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2km6 n LYS 42 N 0.00 1.39 -1.61 3.69 2.85 -1.26 -4.88 118.16 118.34 2km6 n LYS 42 Ca 0.00 -0.59 -0.49 0.00 -1.05 0.00 0.00 58.31 56.19 2km6 n LYS 42 Cb 0.00 -1.27 -0.05 0.00 -0.65 0.00 0.00 35.03 33.06 2km6 n LYS 42 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2km6 n THR 43 N -0.13 0.42 -1.99 0.58 -1.04 -1.26 -4.86 114.28 106.00 2km6 n THR 43 Ca 0.12 -0.20 -0.39 0.00 -2.04 0.00 0.00 64.05 61.54 2km6 n THR 43 Cb 0.18 -1.89 -0.03 0.00 -1.82 0.00 0.00 70.33 66.77 2km6 n THR 43 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2km6 s PRO 44 N 5.01 2.68 0.36 -2.82 0.04 -1.26 -4.86 135.00 134.15 2km6 s PRO 44 Ca 0.99 0.81 0.06 0.00 0.04 0.00 0.00 61.00 62.90 2km6 s PRO 44 Cb -0.70 -4.38 0.68 0.00 0.04 0.00 0.00 34.50 30.14 2km6 s PRO 44 CO 0.49 -2.65 1.90 2.35 0.04 0.00 0.00 177.00 179.13 2km6 h TRP 45 N 15.08 0.44 -0.14 0.56 2.91 -1.97 -1.75 115.95 131.08 2km6 h TRP 45 Ca -0.27 -0.04 -0.01 0.00 1.13 0.00 0.00 58.89 59.70 2km6 h TRP 45 Cb 1.17 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.69 2km6 h TRP 45 CO 1.02 0.47 0.03 1.03 -1.03 0.00 0.00 178.44 179.96 2km6 h SER 46 N 0.42 0.17 -0.08 2.65 0.87 -1.99 0.43 113.55 116.01 2km6 h SER 46 Ca 0.09 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.55 2km6 h SER 46 Cb 0.32 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2km6 h SER 46 CO 0.01 0.18 -0.30 -0.33 -0.53 0.00 0.00 176.83 175.87 2km6 h GLU 47 N 0.19 0.34 -0.08 2.24 4.39 -1.75 -2.80 114.58 117.12 2km6 h GLU 47 Ca 0.05 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.45 2km6 h GLU 47 Cb 0.08 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2km6 h GLU 47 CO -0.00 0.89 -0.15 -0.39 -1.16 0.00 0.00 179.01 178.20 2km6 h VAL 48 N -0.13 1.15 0.17 3.13 -1.51 -0.48 -0.68 116.25 117.89 2km6 h VAL 48 Ca -0.01 -0.69 -0.01 0.00 -1.23 0.00 0.00 66.70 64.75 2km6 h VAL 48 Cb 0.93 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 2km6 h VAL 48 CO 0.06 0.21 -0.08 -0.08 -1.23 0.00 0.00 177.57 176.45 2km6 h GLU 49 N 0.12 -0.22 -0.02 5.19 4.22 -0.22 -3.12 114.58 120.53 2km6 h GLU 49 Ca 0.03 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.48 2km6 h GLU 49 Cb 0.34 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2km6 h GLU 49 CO 0.02 0.17 0.00 0.39 -2.18 0.00 0.00 179.01 177.41 2km6 n GLU 50 N -4.99 1.37 -2.87 1.92 1.02 -1.06 -4.80 120.64 111.23 2km6 n GLU 50 Ca -0.09 -0.55 -0.31 0.00 -0.02 0.00 0.00 57.16 56.19 2km6 n GLU 50 Cb 0.25 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.16 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 -1.99 3.29 -0.03 0.62 0.00 -0.28 -5.04 121.76 118.32 2km6 s ALA 51 Ca 0.41 -0.05 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 2km6 s ALA 51 Cb 0.21 -2.80 0.01 0.00 0.00 0.00 0.00 23.12 20.54 2km6 s ALA 51 CO 0.34 0.06 0.14 0.16 0.00 0.00 0.00 175.76 176.46 2km6 s ASP 52 N -2.85 -0.08 0.33 0.00 -4.77 -1.26 -4.75 116.67 103.29 2km6 s ASP 52 Ca 0.54 0.11 0.00 0.00 -3.30 0.00 0.00 52.55 49.89 2km6 s ASP 52 Cb -0.10 0.27 0.00 0.00 -1.09 0.00 0.00 42.92 41.99 2km6 s ASP 52 CO 0.26 -0.16 0.00 0.61 0.70 0.00 0.00 175.17 176.58 2km6 n GLY 53 N 2.45 0.94 0.29 2.12 0.00 -1.24 -0.25 105.19 109.50 2km6 n GLY 53 Ca -0.16 0.73 -0.06 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 0.99 -0.24 1.61 3.64 -1.82 -1.87 116.57 118.87 2km6 h LYS 54 Ca 0.00 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.18 2km6 h LYS 54 Cb 0.00 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 2km6 h LYS 54 CO 0.00 0.76 -0.15 0.87 -2.27 0.00 0.00 179.45 178.66 2km6 h LYS 55 N 0.96 0.41 -0.21 1.90 1.79 -1.01 -0.49 116.57 119.93 2km6 h LYS 55 Ca 0.24 -0.12 -0.18 0.00 -2.18 0.00 0.00 60.65 58.41 2km6 h LYS 55 Cb 0.08 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2km6 h LYS 55 CO -0.03 0.56 -0.58 1.25 -1.08 0.00 0.00 179.45 179.57 2km6 h LEU 56 N 0.38 0.86 -1.66 2.94 5.85 -1.34 -2.95 115.31 119.38 2km6 h LEU 56 Ca 0.07 -0.58 0.01 0.00 0.84 0.00 0.00 57.88 58.22 2km6 h LEU 56 Cb 0.49 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2km6 h LEU 56 CO 0.03 1.29 0.25 0.00 -0.34 0.00 0.00 178.44 179.67 2km6 h ALA 57 N 0.60 1.79 0.00 1.25 0.00 -0.73 -0.39 119.26 121.78 2km6 h ALA 57 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2km6 h ALA 57 Cb 1.20 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2km6 h ALA 57 CO 0.12 0.18 -0.13 1.49 0.00 0.00 0.00 179.25 180.92 2km6 h GLU 58 N 0.45 0.00 0.12 0.00 4.81 -0.94 -1.59 114.58 117.43 2km6 h GLU 58 Ca 0.14 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.09 2km6 h GLU 58 Cb 0.01 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 2km6 h GLU 58 CO -0.03 0.13 -1.33 0.82 -0.73 0.00 0.00 179.01 177.86 2km6 h ILE 59 N 0.00 1.39 -0.65 2.32 2.04 -1.01 -2.40 117.51 119.20 2km6 h ILE 59 Ca -0.00 -2.99 -0.03 0.00 1.00 0.00 0.00 64.86 62.84 2km6 h ILE 59 Cb 0.24 2.87 -0.03 0.00 -0.74 0.00 0.00 36.82 39.16 2km6 h ILE 59 CO 0.02 0.86 0.31 -0.07 0.00 0.00 0.00 178.15 179.27 2km6 h LEU 60 N 0.07 0.86 -0.00 1.44 -0.00 -0.97 -1.72 115.31 114.98 2km6 h LEU 60 Ca -0.17 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.57 2km6 h LEU 60 Cb 1.98 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 42.42 2km6 h LEU 60 CO 0.18 0.76 -0.00 1.33 -0.00 0.00 0.00 178.44 180.72 2km6 n VAL 61 N -4.47 0.00 0.19 1.22 0.24 -0.67 -1.81 118.33 113.04 2km6 n VAL 61 Ca 0.05 -0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.46 2km6 n VAL 61 Cb 0.13 -0.50 0.12 0.00 -1.47 0.00 0.00 33.84 32.13 2km6 n VAL 61 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 2km6 h ASN 62 N 0.00 0.00 0.00 -1.34 -1.24 -0.78 -3.42 115.58 108.81 2km6 h ASN 62 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2km6 h ASN 62 Cb 0.34 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.39 2km6 h ASN 62 CO 0.00 0.05 0.00 0.35 -1.29 0.00 0.00 177.43 176.54 2km6 n THR 63 N -3.02 0.00 -2.68 -3.57 -2.24 -1.08 -5.08 114.28 96.61 2km6 n THR 63 Ca 0.03 0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.62 2km6 n THR 63 Cb 0.56 -0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 2km6 n THR 63 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2km6 s SER 64 N -2.61 6.48 0.56 3.42 0.01 -0.75 -4.93 113.70 115.89 2km6 s SER 64 Ca 0.00 1.20 -0.17 0.00 1.31 0.00 0.00 55.95 58.29 2km6 s SER 64 Cb 0.00 -2.36 -0.05 0.00 0.21 0.00 0.00 66.02 63.82 2km6 s SER 64 CO 0.00 -0.49 1.05 -0.44 0.41 0.00 0.00 173.24 173.77 2km6 s SER 65 N -3.34 6.00 0.35 2.44 0.01 -1.26 -4.55 113.70 113.35 2km6 s SER 65 Ca 0.52 1.81 0.05 0.00 1.31 0.00 0.00 55.95 59.65 2km6 s SER 65 Cb -0.10 -2.54 0.65 0.00 0.21 0.00 0.00 66.02 64.24 2km6 s SER 65 CO 0.35 -1.02 1.89 1.05 0.41 0.00 0.00 173.24 175.92 2km6 h GLU 66 N 0.73 0.47 -0.06 12.44 9.09 -1.95 -0.26 114.58 135.05 2km6 h GLU 66 Ca -0.47 -0.10 -0.02 0.00 0.05 0.00 0.00 59.36 58.82 2km6 h GLU 66 Cb 1.22 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 28.24 2km6 h GLU 66 CO 0.58 0.51 -0.04 -0.97 0.05 0.00 0.00 179.01 179.14 2km6 h ASN 67 N 0.46 0.08 0.13 3.06 -1.24 -1.97 0.13 115.58 116.22 2km6 h ASN 67 Ca 0.10 -0.01 -0.27 0.00 0.71 0.00 0.00 56.30 56.84 2km6 h ASN 67 Cb 0.32 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.35 2km6 h ASN 67 CO 0.01 0.13 -1.32 -0.25 -1.29 0.00 0.00 177.43 174.71 2km6 h TRP 68 N 0.08 0.51 0.00 0.67 7.01 -1.65 -3.34 115.95 119.24 2km6 h TRP 68 Ca 0.02 -0.37 -0.01 0.00 2.11 0.00 0.00 58.89 60.64 2km6 h TRP 68 Cb 0.13 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.17 2km6 h TRP 68 CO 0.00 1.51 -0.03 0.82 -2.79 0.00 0.00 178.44 177.95 2km6 h ILE 69 N -0.26 0.95 0.00 2.65 2.04 -0.46 -1.76 117.51 120.67 2km6 h ILE 69 Ca -0.27 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 2km6 h ILE 69 Cb 1.78 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 38.92 2km6 h ILE 69 CO 0.10 0.03 -0.01 0.08 0.00 0.00 0.00 178.15 178.35 2km6 h ARG 70 N 0.00 0.00 0.00 2.37 0.11 -0.87 0.11 114.38 116.10 2km6 h ARG 70 Ca -0.00 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.73 2km6 h ARG 70 Cb 0.06 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.09 2km6 h ARG 70 CO 0.00 0.01 -1.92 -1.71 0.10 0.00 0.00 179.97 176.45 2km6 n ASN 71 N -3.17 1.92 0.11 0.08 5.15 -0.70 -4.30 115.26 114.35 2km6 n ASN 71 Ca -0.02 0.37 -0.15 0.00 -0.60 0.00 0.00 54.58 54.17 2km6 n ASN 71 Cb 0.12 -0.88 -0.08 0.00 -0.53 0.00 0.00 39.78 38.41 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 -0.71 -0.85 -0.53 5.20 0.00 -0.94 -0.49 119.26 120.93 2km6 h ALA 72 Ca -0.53 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.25 2km6 h ALA 72 Cb 1.49 0.79 -0.02 0.00 0.00 0.00 0.00 17.79 20.04 2km6 h ALA 72 CO -0.31 -1.05 0.14 0.00 0.00 0.00 0.00 179.25 178.03 2km6 h THR 73 N -0.70 1.22 -0.13 0.00 1.03 -1.07 -1.83 112.91 111.43 2km6 h THR 73 Ca 0.01 -0.77 -0.01 0.00 -0.01 0.00 0.00 66.41 65.63 2km6 h THR 73 Cb 0.72 0.66 -0.01 0.00 -1.07 0.00 0.00 68.15 68.46 2km6 h THR 73 CO -0.27 0.29 0.03 0.58 -0.01 0.00 0.00 175.52 176.15 2km6 h VAL 74 N 0.78 1.20 -0.84 0.00 2.07 -1.64 -1.81 116.25 116.01 2km6 h VAL 74 Ca 0.17 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 2km6 h VAL 74 Cb 0.27 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2km6 h VAL 74 CO -0.00 0.18 0.46 0.78 0.02 0.00 0.00 177.57 179.01 2km6 h ASN 75 N 0.01 1.04 -0.54 0.57 -0.26 -0.71 0.69 115.58 116.38 2km6 h ASN 75 Ca 0.04 -0.09 -0.03 0.00 -0.56 0.00 0.00 56.30 55.66 2km6 h ASN 75 Cb 0.25 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 2km6 h ASN 75 CO 0.00 0.83 0.22 0.40 -1.06 0.00 0.00 177.43 177.82 2km6 h ILE 76 N 1.17 1.22 -0.73 2.81 1.08 -1.12 0.25 117.51 122.19 2km6 h ILE 76 Ca 0.30 -0.67 -0.03 0.00 -0.39 0.00 0.00 64.86 64.07 2km6 h ILE 76 Cb 0.02 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 34.38 2km6 h ILE 76 CO -0.05 0.26 0.35 -0.07 -0.69 0.00 0.00 178.15 177.95 2km6 h LEU 77 N 0.73 0.95 -0.74 1.44 3.38 -0.61 -0.35 115.31 120.11 2km6 h LEU 77 Ca 0.18 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2km6 h LEU 77 Cb 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2km6 h LEU 77 CO -0.02 0.80 0.08 -0.33 0.09 0.00 0.00 178.44 179.07 2km6 h GLU 78 N 1.04 1.05 0.00 1.13 5.08 -0.24 0.33 114.58 122.97 2km6 h GLU 78 Ca 0.25 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2km6 h GLU 78 Cb 0.11 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2km6 h GLU 78 CO -0.03 0.97 0.00 0.93 -1.00 0.00 0.00 179.01 179.88 2km6 h GLU 79 N 0.98 0.00 -0.12 2.33 5.08 0.23 -0.31 114.58 122.76 2km6 h GLU 79 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2km6 h GLU 79 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2km6 h GLU 79 CO 0.01 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.69 2km6 n MET 80 N -2.88 1.82 -3.20 2.33 2.81 -0.21 -4.91 117.12 112.87 2km6 n MET 80 Ca 0.01 -1.21 -0.21 0.00 -1.81 0.00 0.00 57.70 54.48 2km6 n MET 80 Cb 0.29 -1.44 0.05 0.00 -0.71 0.00 0.00 33.22 31.41 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 0.44 -5.78 -4.82 7.83 5.15 -0.13 -4.99 115.26 112.96 2km6 n ASN 81 Ca 0.17 -0.36 -0.37 0.00 -0.60 0.00 0.00 54.58 53.42 2km6 n ASN 81 Cb 0.38 -4.51 -0.07 0.00 -0.53 0.00 0.00 39.78 35.06 2km6 n ASN 81 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2km6 s LEU 82 N -6.30 4.35 0.06 1.20 1.43 0.04 -4.97 118.68 114.49 2km6 s LEU 82 Ca 0.39 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 2km6 s LEU 82 Cb -0.17 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.81 2km6 s LEU 82 CO 0.49 0.30 0.00 0.35 0.23 0.00 0.00 176.35 177.71 2km6 n THR 83 N 2.51 0.65 -0.26 5.49 -2.24 -1.26 -4.29 114.28 114.87 2km6 n THR 83 Ca -0.17 0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.74 2km6 n THR 83 Cb 0.53 -1.52 -0.05 0.00 -2.10 0.00 0.00 70.33 67.19 2km6 n THR 83 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2km6 h GLU 84 N 0.00 -0.17 0.00 -0.78 9.09 -1.99 0.67 114.58 121.40 2km6 h GLU 84 Ca 0.00 0.01 -0.05 0.00 0.05 0.00 0.00 59.36 59.37 2km6 h GLU 84 Cb 0.45 0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 2km6 h GLU 84 CO 0.00 -0.11 -0.84 1.37 0.05 0.00 0.00 179.01 179.48 2km6 h LEU 85 N -0.18 0.00 -0.41 3.06 -0.00 -1.99 -3.22 115.31 112.57 2km6 h LEU 85 Ca 0.18 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.88 2km6 h LEU 85 Cb 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2km6 h LEU 85 CO -0.77 0.18 -0.56 0.00 -0.00 0.00 0.00 178.44 177.28 2km6 h LYS 87 N 0.53 0.00 -0.26 0.00 1.57 0.17 0.07 116.57 118.64 2km6 h LYS 87 Ca 0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2km6 h LYS 87 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2km6 h LYS 87 CO 0.11 0.20 -0.16 1.98 -0.57 0.00 0.00 179.45 181.01 2km6 h MET 88 N 0.00 0.57 -0.77 3.15 4.05 -1.40 -2.69 114.93 117.83 2km6 h MET 88 Ca -0.00 -0.26 -0.00 0.00 -0.28 0.00 0.00 59.70 59.15 2km6 h MET 88 Cb 0.63 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.39 2km6 h MET 88 CO 0.03 0.84 0.47 0.00 0.23 0.00 0.00 176.91 178.47 2km6 h ALA 89 N 0.72 0.99 0.00 0.39 0.00 -0.32 0.32 119.26 121.35 2km6 h ALA 89 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2km6 h ALA 89 Cb 0.69 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2km6 h ALA 89 CO 0.04 0.45 0.00 1.63 0.00 0.00 0.00 179.25 181.38 2km6 n LYS 90 N -4.49 0.19 -0.03 0.00 5.02 -0.08 -0.77 118.16 118.01 2km6 n LYS 90 Ca 0.07 0.14 -0.08 0.00 -2.02 0.00 0.00 58.31 56.43 2km6 n LYS 90 Cb 0.06 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 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 -1.21 2.51 -0.00 7.82 0.00 -0.44 -4.48 120.51 124.70 2km6 n ALA 91 Ca 0.06 -0.29 -0.17 0.00 0.00 0.00 0.00 53.44 53.04 2km6 n ALA 91 Cb 0.07 0.39 -0.12 0.00 0.00 0.00 0.00 19.45 19.79 2km6 n ALA 91 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2km6 h GLU 92 N -0.27 0.26 0.02 0.00 4.39 -0.36 -3.36 114.58 115.27 2km6 h GLU 92 Ca -0.18 -0.33 -0.30 0.00 0.34 0.00 0.00 59.36 58.89 2km6 h GLU 92 Cb 1.10 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.80 2km6 h GLU 92 CO -0.11 1.06 -1.76 -0.12 -1.16 0.00 0.00 179.01 176.93 2km6 n MET 93 N -4.33 0.65 -3.29 2.33 1.56 0.05 -4.65 117.12 109.44 2km6 n MET 93 Ca -0.11 0.29 -0.44 0.00 -0.27 0.00 0.00 57.70 57.18 2km6 n MET 93 Cb 0.63 -1.78 -0.08 0.00 2.15 0.00 0.00 33.22 34.14 2km6 n MET 93 CO 0.00 0.00 0.00 -1.64 -0.73 0.00 0.00 175.97 173.60 2km6 s MET 94 N -2.59 3.07 0.17 2.12 -1.94 -0.70 -4.94 119.30 114.49 2km6 s MET 94 Ca -0.07 -0.97 -0.31 0.00 -1.71 0.00 0.00 55.69 52.63 2km6 s MET 94 Cb 0.08 -4.05 -0.09 0.00 2.01 0.00 0.00 34.83 32.78 2km6 s MET 94 CO 0.82 -1.01 1.37 -2.00 -0.01 0.00 0.00 175.02 174.19 2km6 s GLU 95 N 2.14 4.33 -0.19 2.03 2.56 -1.26 -4.33 118.70 123.98 2km6 s GLU 95 Ca 0.11 2.11 -0.14 0.00 0.00 0.00 0.00 54.97 57.05 2km6 s GLU 95 Cb -0.20 -3.20 -0.21 0.00 2.00 0.00 0.00 34.13 32.53 2km6 s GLU 95 CO 0.11 -0.37 0.18 -3.47 -0.56 0.00 0.00 175.26 171.15 2km6 n ASP 96 N 3.19 1.97 0.00 -1.70 2.03 -1.26 -5.00 116.55 115.78 2km6 n ASP 96 Ca 0.09 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.71 2km6 n ASP 96 Cb 0.42 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 39.93 2km6 n ASP 96 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2km6 n GLY 97 N 1.65 2.64 0.00 0.27 0.00 -1.26 -5.27 105.19 103.22 2km6 n GLY 97 Ca -0.35 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26