#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 5.19 0.15 2.03 -4.23 -1.26 -4.97 115.64 112.56 2km6 s THR 4 Ca 0.00 0.71 -0.19 0.00 -1.18 0.00 0.00 61.69 61.03 2km6 s THR 4 Cb 0.00 -3.68 0.05 0.00 1.34 0.00 0.00 72.50 70.22 2km6 s THR 4 CO 0.00 0.47 1.66 -1.28 -0.54 0.00 0.00 174.62 174.94 2km6 h SER 5 N 5.75 -0.44 -0.85 3.99 0.87 -2.05 0.27 113.55 121.09 2km6 h SER 5 Ca -0.47 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.19 2km6 h SER 5 Cb 1.19 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 63.37 2km6 h SER 5 CO 0.68 -0.16 0.47 1.55 -0.53 0.00 0.00 176.83 178.84 2km6 h PRO 6 N -0.07 1.18 -0.12 2.24 0.13 -1.98 -0.39 132.00 132.99 2km6 h PRO 6 Ca 0.16 -0.13 -0.19 0.00 -0.87 0.00 0.00 66.00 64.97 2km6 h PRO 6 Cb 0.31 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 31.21 2km6 h PRO 6 CO -0.36 0.86 -0.71 1.96 -0.23 0.00 0.00 178.00 179.52 2km6 h GLN 7 N 1.18 0.52 0.65 0.86 7.50 -1.82 0.16 115.11 124.16 2km6 h GLN 7 Ca 0.30 -0.41 -0.03 0.00 0.50 0.00 0.00 58.65 59.01 2km6 h GLN 7 Cb 0.02 0.08 0.01 0.00 0.05 0.00 0.00 27.48 27.64 2km6 h GLN 7 CO -0.05 1.03 -0.31 1.25 -1.50 0.00 0.00 178.83 179.25 2km6 h LEU 8 N 0.37 -0.74 -1.17 1.46 7.12 -0.32 -0.87 115.31 121.17 2km6 h LEU 8 Ca -0.03 0.02 -0.07 0.00 0.13 0.00 0.00 57.88 57.93 2km6 h LEU 8 Cb 1.29 0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 41.60 2km6 h LEU 8 CO 0.13 -0.52 -0.21 -0.08 -0.13 0.00 0.00 178.44 177.63 2km6 h GLU 9 N -0.88 0.32 -0.49 1.25 4.81 -1.04 -2.09 114.58 116.46 2km6 h GLU 9 Ca -0.09 -0.10 0.07 0.00 -0.13 0.00 0.00 59.36 59.11 2km6 h GLU 9 Cb 0.67 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 2km6 h GLU 9 CO 0.15 0.52 0.16 2.35 -0.73 0.00 0.00 179.01 181.46 2km6 h TRP 10 N 0.29 0.27 -0.36 0.92 7.01 -0.38 0.41 115.95 124.12 2km6 h TRP 10 Ca 0.05 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.99 2km6 h TRP 10 Cb 0.54 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 2km6 h TRP 10 CO 0.01 0.08 -0.15 1.15 -2.79 0.00 0.00 178.44 176.74 2km6 h THR 11 N 0.32 1.25 0.18 2.65 2.02 -0.49 0.44 112.91 119.29 2km6 h THR 11 Ca 0.24 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 2km6 h THR 11 Cb 0.27 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2km6 h THR 11 CO -0.26 0.39 -0.09 -0.07 0.37 0.00 0.00 175.52 175.86 2km6 h LEU 12 N 0.58 -0.21 -0.86 2.58 3.38 -0.95 -3.23 115.31 116.61 2km6 h LEU 12 Ca 0.10 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.83 2km6 h LEU 12 Cb 0.59 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 2km6 h LEU 12 CO 0.04 0.18 0.56 0.06 0.09 0.00 0.00 178.44 179.36 2km6 h GLN 13 N -0.62 1.07 -0.48 1.13 3.07 0.07 -1.56 115.11 117.79 2km6 h GLN 13 Ca -0.02 -0.06 0.07 0.00 0.09 0.00 0.00 58.65 58.72 2km6 h GLN 13 Cb 0.46 -0.24 -0.03 0.00 0.08 0.00 0.00 27.48 27.75 2km6 h GLN 13 CO 0.04 0.71 0.33 1.15 0.09 0.00 0.00 178.83 181.15 2km6 h THR 14 N 1.10 0.94 0.02 1.86 2.02 -0.97 0.77 112.91 118.65 2km6 h THR 14 Ca 0.33 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 2km6 h THR 14 Cb -0.05 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2km6 h THR 14 CO -0.10 0.07 -0.01 -0.07 0.37 0.00 0.00 175.52 175.78 2km6 h LEU 15 N 0.36 -0.02 -1.59 2.58 3.38 -1.37 -3.28 115.31 115.38 2km6 h LEU 15 Ca 0.22 -0.74 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 2km6 h LEU 15 Cb 0.38 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2km6 h LEU 15 CO -0.05 0.77 -0.18 -0.07 0.09 0.00 0.00 178.44 179.00 2km6 h LEU 16 N -0.86 0.00 -0.93 1.67 4.07 -0.37 0.02 115.31 118.92 2km6 h LEU 16 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2km6 h LEU 16 Cb 0.76 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.50 2km6 h LEU 16 CO 0.00 0.18 0.00 -0.33 -1.08 0.00 0.00 178.44 177.21 2km6 h GLU 17 N 0.00 0.00 -0.01 1.13 5.08 0.42 -1.79 114.58 119.42 2km6 h GLU 17 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2km6 h GLU 17 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2km6 h GLU 17 CO 0.02 0.00 -0.53 1.04 -1.00 0.00 0.00 179.01 178.54 2km6 n GLN 18 N -2.56 0.75 -3.55 2.33 6.02 -0.03 -4.72 117.38 115.63 2km6 n GLN 18 Ca 0.02 -0.57 -0.29 0.00 -0.01 0.00 0.00 57.00 56.15 2km6 n GLN 18 Cb 0.27 -1.49 -0.15 0.00 1.02 0.00 0.00 30.24 29.90 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 -2.64 0.76 0.00 1.08 0.05 -0.67 -4.94 118.68 112.32 2km6 s LEU 19 Ca 0.17 -1.45 0.00 0.00 0.05 0.00 0.00 54.13 52.90 2km6 s LEU 19 Cb 0.18 -0.41 0.00 0.00 -2.05 0.00 0.00 46.19 43.91 2km6 s LEU 19 CO 0.63 -0.42 0.00 -0.46 -0.55 0.00 0.00 176.35 175.55 2km6 n ASN 20 N 5.04 0.00 0.00 1.48 0.23 -1.25 -4.33 115.26 116.43 2km6 n ASN 20 Ca -0.03 -0.82 0.00 0.00 -0.53 0.00 0.00 54.58 53.20 2km6 n ASN 20 Cb 0.41 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 2km6 n ASN 20 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2km6 n GLU 21 N 0.00 0.00 -0.05 -3.83 2.13 -1.26 -4.46 120.64 113.17 2km6 n GLU 21 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 2km6 n GLU 21 Cb 0.35 -0.28 -0.16 0.00 0.27 0.00 0.00 31.44 31.62 2km6 n GLU 21 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2km6 n ASP 22 N -0.28 0.26 -0.32 4.31 2.03 -1.26 -4.29 116.55 117.01 2km6 n ASP 22 Ca 0.00 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.44 2km6 n ASP 22 Cb 0.00 1.46 0.31 0.00 -0.72 0.00 0.00 41.12 42.17 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 0.00 0.51 -0.72 -0.67 4.39 -1.90 -0.43 114.58 115.76 2km6 h GLU 23 Ca -0.26 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 2km6 h GLU 23 Cb 1.56 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 30.06 2km6 h GLU 23 CO 0.01 0.34 0.37 1.25 -1.16 0.00 0.00 179.01 179.82 2km6 h LEU 24 N 0.53 0.91 -0.67 1.33 5.85 -1.75 0.16 115.31 121.67 2km6 h LEU 24 Ca 0.56 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 59.17 2km6 h LEU 24 Cb 0.99 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2km6 h LEU 24 CO -0.46 0.75 0.33 0.11 -0.34 0.00 0.00 178.44 178.83 2km6 h LYS 25 N 1.01 0.95 0.44 1.25 1.57 -1.32 0.42 116.57 120.89 2km6 h LYS 25 Ca 0.25 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2km6 h LYS 25 Cb 0.07 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2km6 h LYS 25 CO -0.04 0.75 -0.21 0.77 -0.57 0.00 0.00 179.45 180.15 2km6 h SER 26 N 0.92 -0.50 -0.62 0.86 0.02 -1.25 -2.96 113.55 110.02 2km6 h SER 26 Ca 0.23 -0.08 0.11 0.00 -0.84 0.00 0.00 61.79 61.22 2km6 h SER 26 Cb 0.10 0.13 -0.08 0.00 0.14 0.00 0.00 62.40 62.68 2km6 h SER 26 CO -0.03 -0.20 0.17 0.15 -1.14 0.00 0.00 176.83 175.78 2km6 h PHE 27 N -0.80 0.29 -0.36 3.45 3.04 -0.24 0.33 116.94 122.66 2km6 h PHE 27 Ca -0.06 0.03 0.05 0.00 3.98 0.00 0.00 57.97 61.97 2km6 h PHE 27 Cb 0.55 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.98 2km6 h PHE 27 CO -0.00 0.01 0.10 0.87 -2.02 0.00 0.00 178.31 177.27 2km6 h LYS 28 N 0.32 0.23 -0.13 1.11 1.57 -0.97 -0.26 116.57 118.43 2km6 h LYS 28 Ca 0.33 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.87 2km6 h LYS 28 Cb 0.47 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.74 2km6 h LYS 28 CO -0.38 0.15 -0.79 1.03 -0.57 0.00 0.00 179.45 178.88 2km6 h SER 29 N 0.24 0.87 -0.33 0.86 0.87 -0.99 -2.49 113.55 112.58 2km6 h SER 29 Ca 0.17 -0.58 -0.10 0.00 -1.23 0.00 0.00 61.79 60.04 2km6 h SER 29 Cb 0.16 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 2km6 h SER 29 CO -0.19 1.37 -0.16 -0.07 -0.53 0.00 0.00 176.83 177.25 2km6 h LEU 30 N 0.49 0.79 -0.68 2.23 3.38 -0.20 -0.06 115.31 121.26 2km6 h LEU 30 Ca -0.06 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 2km6 h LEU 30 Cb 1.42 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2km6 h LEU 30 CO 0.16 0.95 -0.42 0.17 0.09 0.00 0.00 178.44 179.39 2km6 h LEU 31 N 0.70 0.00 0.00 1.67 8.10 -1.02 -2.42 115.31 122.35 2km6 h LEU 31 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.10 2km6 h LEU 31 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.88 2km6 h LEU 31 CO 0.05 0.42 -0.17 1.87 -4.11 0.00 0.00 178.44 176.49 2km6 n TRP 32 N -3.44 0.83 0.10 0.17 -0.00 -0.80 -3.74 117.44 110.56 2km6 n TRP 32 Ca 0.00 0.24 -0.20 0.00 -0.00 0.00 0.00 57.50 57.54 2km6 n TRP 32 Cb 0.58 -0.86 -0.15 0.00 -0.00 0.00 0.00 31.31 30.88 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 2.52 0.09 -2.35 5.87 0.00 -0.52 -3.46 119.26 121.41 2km6 h ALA 33 Ca 0.00 -1.00 -0.47 0.00 0.00 0.00 0.00 54.91 53.44 2km6 h ALA 33 Cb 0.74 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2km6 h ALA 33 CO 0.00 0.96 0.37 -0.59 0.00 0.00 0.00 179.25 179.99 2km6 s PHE 34 N -2.61 3.39 -0.18 0.00 -0.12 -1.13 -4.93 117.98 112.40 2km6 s PHE 34 Ca -0.09 1.67 -0.29 0.00 -0.05 0.00 0.00 56.93 58.17 2km6 s PHE 34 Cb 0.06 -2.98 -0.06 0.00 -0.63 0.00 0.00 43.02 39.40 2km6 s PHE 34 CO 0.89 -0.24 2.18 -0.35 -0.05 0.00 0.00 175.22 177.64 2km6 n PRO 35 N -0.11 2.08 -2.41 1.99 -0.04 -1.26 -4.93 135.00 130.32 2km6 n PRO 35 Ca 0.05 0.61 -0.37 0.00 -0.04 0.00 0.00 63.50 63.76 2km6 n PRO 35 Cb 0.51 -3.16 -0.03 0.00 -0.04 0.00 0.00 33.50 30.78 2km6 n PRO 35 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2km6 s LEU 36 N 7.60 4.08 0.00 1.53 1.43 -1.26 -5.04 118.68 127.01 2km6 s LEU 36 Ca 0.99 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 56.26 2km6 s LEU 36 Cb -0.38 -4.22 -0.00 0.00 0.03 0.00 0.00 46.19 41.63 2km6 s LEU 36 CO 0.37 -0.69 0.01 -0.62 0.23 0.00 0.00 176.35 175.65 2km6 n GLU 37 N -0.28 0.27 0.00 1.70 1.02 -1.26 -4.84 120.64 117.26 2km6 n GLU 37 Ca 0.06 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2km6 n GLU 37 Cb 0.49 0.07 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 2km6 n GLU 37 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2km6 n ASP 38 N -2.70 0.00 -0.11 1.62 2.03 -1.26 -0.89 116.55 115.25 2km6 n ASP 38 Ca 0.00 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.32 2km6 n ASP 38 Cb 0.02 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.44 2km6 n ASP 38 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2km6 n VAL 39 N 0.00 0.53 1.80 5.18 0.31 -1.26 -4.75 118.33 120.13 2km6 n VAL 39 Ca 0.00 -0.58 0.16 0.00 -0.01 0.00 0.00 64.34 63.91 2km6 n VAL 39 Cb 0.00 0.60 0.87 0.00 -0.91 0.00 0.00 33.84 34.39 2km6 n VAL 39 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2km6 n LEU 40 N -0.33 0.08 0.18 7.52 7.94 -0.06 -3.17 117.00 129.17 2km6 n LEU 40 Ca 0.02 0.06 0.07 0.00 -1.11 0.00 0.00 56.01 55.05 2km6 n LEU 40 Cb 0.49 -0.09 0.16 0.00 0.53 0.00 0.00 43.42 44.51 2km6 n LEU 40 CO 0.00 0.01 0.65 1.56 -1.11 0.00 0.00 177.39 178.51 2km6 h GLN 41 N 0.12 0.00 -0.41 1.96 4.20 -1.86 -3.20 115.11 115.92 2km6 h GLN 41 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2km6 h GLN 41 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2km6 h GLN 41 CO 0.00 0.27 0.00 0.36 -0.67 0.00 0.00 178.83 178.79 2km6 n LYS 42 N -3.20 2.59 -1.67 1.46 2.85 -1.19 -5.00 118.16 114.01 2km6 n LYS 42 Ca 0.02 -2.14 -0.49 0.00 -1.05 0.00 0.00 58.31 54.65 2km6 n LYS 42 Cb 0.61 -1.36 -0.05 0.00 -0.65 0.00 0.00 35.03 33.58 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 0.89 0.54 -1.91 0.58 -1.04 -1.21 -4.85 114.28 107.28 2km6 n THR 43 Ca 0.15 -0.12 -0.37 0.00 -2.04 0.00 0.00 64.05 61.67 2km6 n THR 43 Cb 0.48 -1.83 -0.03 0.00 -1.82 0.00 0.00 70.33 67.13 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 4.23 2.47 0.38 -2.82 0.04 -1.26 -4.84 135.00 133.20 2km6 s PRO 44 Ca 0.95 0.79 0.06 0.00 0.04 0.00 0.00 61.00 62.83 2km6 s PRO 44 Cb -0.73 -4.47 0.77 0.00 0.04 0.00 0.00 34.50 30.12 2km6 s PRO 44 CO 0.53 -2.92 1.99 2.35 0.04 0.00 0.00 177.00 178.99 2km6 h TRP 45 N 16.04 0.69 -0.35 0.56 2.91 -1.98 -1.01 115.95 132.81 2km6 h TRP 45 Ca -0.24 0.02 0.05 0.00 1.13 0.00 0.00 58.89 59.85 2km6 h TRP 45 Cb 1.18 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 29.59 2km6 h TRP 45 CO 1.03 0.39 0.24 0.77 -1.03 0.00 0.00 178.44 179.84 2km6 h SER 46 N 0.70 0.21 0.19 2.65 0.02 -2.00 0.12 113.55 115.44 2km6 h SER 46 Ca 0.26 -0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.91 2km6 h SER 46 Cb 0.14 -0.05 0.02 0.00 0.14 0.00 0.00 62.40 62.66 2km6 h SER 46 CO -0.07 0.14 -1.41 -0.33 -1.14 0.00 0.00 176.83 174.02 2km6 h GLU 47 N 0.24 0.39 0.00 3.45 4.39 -1.63 -3.26 114.58 118.17 2km6 h GLU 47 Ca 0.15 -0.67 -0.02 0.00 0.34 0.00 0.00 59.36 59.16 2km6 h GLU 47 Cb 0.30 0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2km6 h GLU 47 CO -0.03 1.32 -0.07 -0.39 -1.16 0.00 0.00 179.01 178.68 2km6 h VAL 48 N -0.06 0.65 -0.04 3.13 -1.51 -0.28 -1.65 116.25 116.49 2km6 h VAL 48 Ca -0.27 -0.31 -0.02 0.00 -1.23 0.00 0.00 66.70 64.88 2km6 h VAL 48 Cb 1.96 1.19 -0.00 0.00 -2.13 0.00 0.00 31.29 32.31 2km6 h VAL 48 CO 0.18 0.07 -0.05 -0.08 -1.23 0.00 0.00 177.57 176.46 2km6 h GLU 49 N 0.00 0.11 0.00 5.19 4.22 -0.89 -3.27 114.58 119.94 2km6 h GLU 49 Ca -0.00 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.38 2km6 h GLU 49 Cb 0.18 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2km6 h GLU 49 CO 0.01 0.61 -0.47 0.39 -2.18 0.00 0.00 179.01 177.37 2km6 n GLU 50 N -4.74 0.23 -3.26 1.92 1.02 -0.97 -4.83 120.64 110.02 2km6 n GLU 50 Ca -0.08 0.09 -0.32 0.00 -0.02 0.00 0.00 57.16 56.83 2km6 n GLU 50 Cb 0.31 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 30.00 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 -3.12 3.43 0.07 0.62 0.00 -0.66 -5.07 121.76 117.03 2km6 s ALA 51 Ca 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 51.96 51.95 2km6 s ALA 51 Cb 0.14 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 2km6 s ALA 51 CO 0.69 0.41 -0.03 0.16 0.00 0.00 0.00 175.76 176.98 2km6 s ASP 52 N -2.29 0.66 0.43 0.00 1.47 -1.26 -4.62 116.67 111.06 2km6 s ASP 52 Ca 0.51 -1.02 0.00 0.00 1.18 0.00 0.00 52.55 53.22 2km6 s ASP 52 Cb -0.11 0.18 0.00 0.00 -0.34 0.00 0.00 42.92 42.65 2km6 s ASP 52 CO 0.19 -0.57 0.00 0.61 0.68 0.00 0.00 175.17 176.08 2km6 n GLY 53 N 0.05 1.25 0.24 2.12 0.00 -1.26 -0.53 105.19 107.07 2km6 n GLY 53 Ca -0.13 0.65 -0.09 0.00 0.00 0.00 0.00 46.02 46.45 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 0.80 -0.74 1.61 3.64 -1.86 -1.76 116.57 118.26 2km6 h LYS 54 Ca 0.00 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.12 2km6 h LYS 54 Cb 0.00 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 2km6 h LYS 54 CO 0.00 0.79 0.25 0.87 -2.27 0.00 0.00 179.45 179.10 2km6 h LYS 55 N 0.67 1.13 -0.38 1.90 1.79 -1.19 -1.22 116.57 119.27 2km6 h LYS 55 Ca 0.15 -0.23 -0.07 0.00 -2.18 0.00 0.00 60.65 58.32 2km6 h LYS 55 Cb 0.38 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 2km6 h LYS 55 CO 0.01 0.95 -0.05 1.25 -1.08 0.00 0.00 179.45 180.53 2km6 h LEU 56 N 1.09 0.70 -1.50 2.94 5.85 -1.25 -2.30 115.31 120.84 2km6 h LEU 56 Ca 0.24 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.67 2km6 h LEU 56 Cb 0.27 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2km6 h LEU 56 CO -0.01 0.87 0.40 0.00 -0.34 0.00 0.00 178.44 179.35 2km6 h ALA 57 N 0.85 1.76 -0.00 1.25 0.00 -0.94 -0.28 119.26 121.90 2km6 h ALA 57 Ca 0.10 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2km6 h ALA 57 Cb 0.54 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2km6 h ALA 57 CO 0.03 0.15 -0.43 1.49 0.00 0.00 0.00 179.25 180.49 2km6 h GLU 58 N 0.63 0.00 0.00 0.00 4.81 -0.80 -2.14 114.58 117.09 2km6 h GLU 58 Ca 0.25 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 2km6 h GLU 58 Cb 0.20 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2km6 h GLU 58 CO -0.07 0.43 -0.30 0.82 -0.73 0.00 0.00 179.01 179.16 2km6 h ILE 59 N 0.00 0.29 -0.12 2.32 2.04 -0.54 -1.65 117.51 119.87 2km6 h ILE 59 Ca -0.00 -1.43 -0.02 0.00 1.00 0.00 0.00 64.86 64.41 2km6 h ILE 59 Cb 0.76 2.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 2km6 h ILE 59 CO 0.06 0.17 -0.02 -0.07 0.00 0.00 0.00 178.15 178.29 2km6 h LEU 60 N 0.00 0.22 -0.47 1.44 -0.00 -0.70 -2.92 115.31 112.88 2km6 h LEU 60 Ca -0.01 -0.35 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 2km6 h LEU 60 Cb 1.15 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 2km6 h LEU 60 CO 0.02 0.52 0.00 -0.37 -0.00 0.00 0.00 178.44 178.61 2km6 h VAL 61 N -0.09 0.00 0.00 1.22 -1.51 -1.47 -0.65 116.25 113.76 2km6 h VAL 61 Ca 0.03 -0.45 -0.02 0.00 -1.23 0.00 0.00 66.70 65.04 2km6 h VAL 61 Cb 0.42 1.34 -0.00 0.00 -2.13 0.00 0.00 31.29 30.92 2km6 h VAL 61 CO 0.01 0.00 -0.08 -1.13 -1.23 0.00 0.00 177.57 175.14 2km6 h ASN 62 N 0.00 0.00 0.00 4.19 -0.73 -1.10 -3.39 115.58 114.55 2km6 h ASN 62 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2km6 h ASN 62 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.18 2km6 h ASN 62 CO 0.00 0.08 0.00 0.35 -0.37 0.00 0.00 177.43 177.49 2km6 n THR 63 N -3.91 0.28 -2.61 -3.57 -2.24 -0.92 -5.07 114.28 96.23 2km6 n THR 63 Ca -0.02 0.09 -0.32 0.00 -2.27 0.00 0.00 64.05 61.53 2km6 n THR 63 Cb 0.17 -1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 67.25 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 -5.21 6.66 0.33 3.42 0.01 -0.30 -4.55 113.70 114.07 2km6 s SER 64 Ca 0.00 1.47 -0.29 0.00 1.31 0.00 0.00 55.95 58.44 2km6 s SER 64 Cb 0.00 -2.46 -0.11 0.00 0.21 0.00 0.00 66.02 63.66 2km6 s SER 64 CO 0.00 -0.49 1.50 -0.94 0.41 0.00 0.00 173.24 173.72 2km6 s SER 65 N -2.91 6.43 0.29 2.44 1.04 -1.26 -4.42 113.70 115.32 2km6 s SER 65 Ca 0.57 2.94 0.03 0.00 0.48 0.00 0.00 55.95 59.98 2km6 s SER 65 Cb -0.10 -2.65 0.64 0.00 0.10 0.00 0.00 66.02 64.01 2km6 s SER 65 CO 0.28 -0.83 1.81 1.05 0.98 0.00 0.00 173.24 176.52 2km6 h GLU 66 N 3.83 0.86 0.00 4.02 4.11 -1.94 -0.82 114.58 124.64 2km6 h GLU 66 Ca -0.49 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.89 2km6 h GLU 66 Cb 1.23 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2km6 h GLU 66 CO 0.70 0.57 -0.45 -1.71 0.07 0.00 0.00 179.01 178.20 2km6 n ASN 67 N -4.69 0.47 0.00 3.06 5.15 -1.26 -2.88 115.26 115.11 2km6 n ASN 67 Ca 0.21 -0.05 -0.18 0.00 -0.60 0.00 0.00 54.58 53.96 2km6 n ASN 67 Cb 0.46 0.10 -0.09 0.00 -0.53 0.00 0.00 39.78 39.72 2km6 n ASN 67 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 2km6 h TRP 68 N 0.00 0.95 -0.00 1.20 7.01 -1.56 -3.21 115.95 120.34 2km6 h TRP 68 Ca 0.00 -0.47 0.00 0.00 2.11 0.00 0.00 58.89 60.53 2km6 h TRP 68 Cb 0.56 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.49 2km6 h TRP 68 CO 0.00 1.29 0.01 0.82 -2.79 0.00 0.00 178.44 177.77 2km6 h ILE 69 N 0.34 0.17 -0.41 2.65 2.04 -1.22 -1.63 117.51 119.45 2km6 h ILE 69 Ca -0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 2km6 h ILE 69 Cb 1.47 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 2km6 h ILE 69 CO 0.16 0.00 0.17 0.08 0.00 0.00 0.00 178.15 178.56 2km6 h ARG 70 N 0.00 0.58 -0.09 2.37 0.11 -1.59 -0.63 114.38 115.13 2km6 h ARG 70 Ca 0.00 -0.07 -0.03 0.00 0.10 0.00 0.00 59.98 59.98 2km6 h ARG 70 Cb 0.01 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 30.98 2km6 h ARG 70 CO -0.00 0.48 -0.07 -0.97 0.10 0.00 0.00 179.97 179.51 2km6 h ASN 71 N 0.58 0.22 0.32 0.08 -1.24 -1.49 -3.13 115.58 110.92 2km6 h ASN 71 Ca 0.14 -0.46 0.00 0.00 0.71 0.00 0.00 56.30 56.70 2km6 h ASN 71 Cb 0.11 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 2km6 h ASN 71 CO -0.02 0.63 -0.39 0.00 -1.29 0.00 0.00 177.43 176.37 2km6 h ALA 72 N 0.59 -0.80 0.00 1.57 0.00 -1.37 0.79 119.26 120.05 2km6 h ALA 72 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2km6 h ALA 72 Cb 0.56 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2km6 h ALA 72 CO 0.02 -0.99 0.00 -2.37 0.00 0.00 0.00 179.25 175.90 2km6 n THR 73 N -5.48 0.09 -0.12 0.00 5.66 -0.33 -1.22 114.28 112.88 2km6 n THR 73 Ca -0.09 0.02 -0.26 0.00 -3.05 0.00 0.00 64.05 60.67 2km6 n THR 73 Cb 0.38 -0.62 -0.10 0.00 -1.55 0.00 0.00 70.33 68.44 2km6 n THR 73 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2km6 n VAL 74 N -1.12 1.53 -0.26 1.08 0.31 -0.96 -4.43 118.33 114.49 2km6 n VAL 74 Ca 0.16 -0.20 -0.05 0.00 -0.01 0.00 0.00 64.34 64.23 2km6 n VAL 74 Cb 0.13 -1.97 0.05 0.00 -0.91 0.00 0.00 33.84 31.15 2km6 n VAL 74 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 2km6 h ASN 75 N -1.00 0.86 -0.63 4.52 -0.00 -0.29 -0.81 115.58 118.23 2km6 h ASN 75 Ca -0.52 -0.08 -0.03 0.00 -0.00 0.00 0.00 56.30 55.68 2km6 h ASN 75 Cb 1.45 -0.22 -0.03 0.00 -0.00 0.00 0.00 38.32 39.52 2km6 h ASN 75 CO -0.32 0.69 0.31 0.40 -0.00 0.00 0.00 177.43 178.51 2km6 h ILE 76 N 0.97 1.21 -0.24 2.57 1.08 -1.40 0.14 117.51 121.84 2km6 h ILE 76 Ca 0.25 -0.62 -0.14 0.00 -0.39 0.00 0.00 64.86 63.96 2km6 h ILE 76 Cb -0.00 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 2km6 h ILE 76 CO -0.04 0.26 -0.44 -0.07 -0.69 0.00 0.00 178.15 177.16 2km6 h LEU 77 N 0.93 0.65 -1.04 1.44 4.07 -1.62 -1.76 115.31 117.99 2km6 h LEU 77 Ca 0.23 -0.31 -0.05 0.00 0.08 0.00 0.00 57.88 57.83 2km6 h LEU 77 Cb 0.11 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 2km6 h LEU 77 CO -0.03 1.00 0.14 -0.33 -1.08 0.00 0.00 178.44 178.15 2km6 h GLU 78 N 0.49 0.83 0.00 1.13 5.08 0.07 0.37 114.58 122.55 2km6 h GLU 78 Ca 0.03 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2km6 h GLU 78 Cb 0.97 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2km6 h GLU 78 CO 0.09 0.74 0.00 0.93 -1.00 0.00 0.00 179.01 179.77 2km6 h GLU 79 N 0.80 0.00 -0.20 2.33 4.39 -0.10 -1.77 114.58 120.02 2km6 h GLU 79 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2km6 h GLU 79 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2km6 h GLU 79 CO -0.00 0.00 0.00 -1.33 -1.16 0.00 0.00 179.01 176.52 2km6 n MET 80 N -2.65 2.30 -1.51 2.33 2.81 -0.70 -4.94 117.12 114.76 2km6 n MET 80 Ca 0.02 -2.05 -0.16 0.00 -1.81 0.00 0.00 57.70 53.69 2km6 n MET 80 Cb 0.27 -1.46 -0.07 0.00 -0.71 0.00 0.00 33.22 31.25 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 1.35 -4.98 -4.74 7.83 5.15 -0.67 -4.95 115.26 114.25 2km6 n ASN 81 Ca 0.16 0.39 -0.41 0.00 -0.60 0.00 0.00 54.58 54.12 2km6 n ASN 81 Cb 0.58 -3.94 -0.03 0.00 -0.53 0.00 0.00 39.78 35.86 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 -3.79 4.42 0.02 1.20 1.43 0.04 -4.91 118.68 117.09 2km6 s LEU 82 Ca 0.00 2.33 -0.04 0.00 -1.03 0.00 0.00 54.13 55.39 2km6 s LEU 82 Cb 0.00 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 2km6 s LEU 82 CO 0.00 -0.48 -0.08 0.35 0.23 0.00 0.00 176.35 176.37 2km6 n THR 83 N 2.68 1.06 -0.33 5.49 -2.24 -1.26 -4.43 114.28 115.25 2km6 n THR 83 Ca 0.06 0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 62.03 2km6 n THR 83 Cb 0.43 -1.68 -0.09 0.00 -2.10 0.00 0.00 70.33 66.89 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 -0.23 -0.09 0.00 -0.78 9.09 -1.98 0.61 114.58 121.19 2km6 h GLU 84 Ca 0.00 0.01 -0.14 0.00 0.05 0.00 0.00 59.36 59.28 2km6 h GLU 84 Cb 0.23 0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.33 2km6 h GLU 84 CO 0.00 -0.06 -0.68 1.37 0.05 0.00 0.00 179.01 179.69 2km6 h LEU 85 N -0.09 0.00 -0.68 3.06 -0.00 -1.99 -3.10 115.31 112.51 2km6 h LEU 85 Ca 0.13 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.87 2km6 h LEU 85 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.08 2km6 h LEU 85 CO -0.80 0.64 -0.45 0.00 -0.00 0.00 0.00 178.44 177.83 2km6 h LYS 87 N 0.40 0.00 0.06 0.00 1.57 0.12 0.63 116.57 119.35 2km6 h LYS 87 Ca 0.03 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.55 2km6 h LYS 87 Cb 0.95 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.27 2km6 h LYS 87 CO 0.08 0.00 -1.09 1.98 -0.57 0.00 0.00 179.45 179.86 2km6 h MET 88 N 0.00 0.43 -0.32 3.15 4.05 -1.24 -2.72 114.93 118.28 2km6 h MET 88 Ca 0.00 -0.54 -0.12 0.00 -0.28 0.00 0.00 59.70 58.76 2km6 h MET 88 Cb 0.58 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 2km6 h MET 88 CO 0.00 1.20 -0.30 0.00 0.23 0.00 0.00 176.91 178.04 2km6 h ALA 89 N 0.60 0.89 0.00 0.39 0.00 -0.21 0.45 119.26 121.37 2km6 h ALA 89 Ca -0.12 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2km6 h ALA 89 Cb 1.75 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2km6 h ALA 89 CO 0.19 0.63 0.00 1.63 0.00 0.00 0.00 179.25 181.70 2km6 n LYS 90 N -4.08 0.61 -0.00 0.00 4.76 0.10 -0.92 118.16 118.63 2km6 n LYS 90 Ca -0.01 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.45 2km6 n LYS 90 Cb 0.46 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.12 2km6 n LYS 90 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2km6 n ALA 91 N -1.00 2.25 0.04 7.82 0.00 -0.23 -4.76 120.51 124.63 2km6 n ALA 91 Ca 0.15 -0.11 -0.00 0.00 0.00 0.00 0.00 53.44 53.48 2km6 n ALA 91 Cb 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.52 0.02 0.04 0.00 -0.58 -0.02 -4.77 120.64 113.81 2km6 n GLU 92 Ca -0.00 0.01 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 2km6 n GLU 92 Cb 0.10 -0.53 0.50 0.00 -0.57 0.00 0.00 31.44 30.94 2km6 n GLU 92 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2km6 n MET 93 N -3.49 0.10 -2.38 3.49 2.81 -0.10 -4.67 117.12 112.88 2km6 n MET 93 Ca -0.01 0.13 -0.41 0.00 -1.81 0.00 0.00 57.70 55.61 2km6 n MET 93 Cb 0.06 -1.62 -0.04 0.00 -0.71 0.00 0.00 33.22 30.91 2km6 n MET 93 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2km6 s MET 94 N -3.06 4.55 -1.47 0.03 0.23 -1.13 -3.45 119.30 115.01 2km6 s MET 94 Ca 0.11 1.91 -0.13 0.00 -1.03 0.00 0.00 55.69 56.55 2km6 s MET 94 Cb 0.15 -3.18 0.11 0.00 -1.53 0.00 0.00 34.83 30.38 2km6 s MET 94 CO 0.51 0.06 0.68 0.39 -2.03 0.00 0.00 175.02 174.62 2km6 n GLU 95 N 1.42 -3.67 0.07 3.16 -0.58 -1.26 -4.86 120.64 114.92 2km6 n GLU 95 Ca 0.00 0.45 -0.12 0.00 -0.42 0.00 0.00 57.16 57.08 2km6 n GLU 95 Cb 0.44 -5.20 -0.07 0.00 -0.57 0.00 0.00 31.44 26.04 2km6 n GLU 95 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2km6 h ASP 96 N -1.33 -0.08 -2.39 1.62 3.58 -1.83 -3.44 116.42 112.55 2km6 h ASP 96 Ca -0.51 0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2km6 h ASP 96 Cb 1.33 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.41 2km6 h ASP 96 CO 0.64 -0.05 0.00 0.61 -2.88 0.00 0.00 179.24 177.56 2km6 n GLY 97 N -1.13 4.70 0.52 -0.78 0.00 -1.26 -4.65 105.19 102.59 2km6 n GLY 97 Ca -0.07 -2.04 0.14 0.00 0.00 0.00 0.00 46.02 44.05 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26