#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 5.25 0.19 1.12 -4.23 -1.26 -5.01 115.64 111.70 2km6 s THR 4 Ca 0.00 0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.50 2km6 s THR 4 Cb 0.00 -3.28 0.10 0.00 1.34 0.00 0.00 72.50 70.66 2km6 s THR 4 CO 0.00 0.61 1.77 -1.28 -0.54 0.00 0.00 174.62 175.18 2km6 h SER 5 N 5.09 0.33 -0.43 3.99 0.87 -2.05 0.23 113.55 121.57 2km6 h SER 5 Ca -0.53 0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.13 2km6 h SER 5 Cb 1.22 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 63.11 2km6 h SER 5 CO 0.58 0.22 0.12 1.55 -0.53 0.00 0.00 176.83 178.77 2km6 h PRO 6 N 0.48 0.26 -0.01 2.24 0.13 -2.00 -1.68 132.00 131.43 2km6 h PRO 6 Ca 0.25 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 65.26 2km6 h PRO 6 Cb 0.21 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.27 2km6 h PRO 6 CO -0.20 0.17 -0.51 1.96 -0.23 0.00 0.00 178.00 179.19 2km6 h GLN 7 N 0.27 0.02 0.60 0.86 1.08 -1.86 -0.11 115.11 115.96 2km6 h GLN 7 Ca 0.21 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.38 2km6 h GLN 7 Cb 0.23 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2km6 h GLN 7 CO -0.24 0.53 -0.45 1.25 -0.95 0.00 0.00 178.83 178.96 2km6 h LEU 8 N 0.02 -1.19 -1.04 1.46 6.46 -0.09 0.45 115.31 121.38 2km6 h LEU 8 Ca -0.00 0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.77 2km6 h LEU 8 Cb 0.91 0.37 -0.02 0.00 -0.73 0.00 0.00 40.66 41.19 2km6 h LEU 8 CO 0.07 -0.66 -0.04 -0.08 -0.62 0.00 0.00 178.44 177.11 2km6 h GLU 9 N -1.02 0.64 -0.26 1.25 4.81 -1.19 -2.18 114.58 116.63 2km6 h GLU 9 Ca -0.07 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2km6 h GLU 9 Cb 0.85 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2km6 h GLU 9 CO 0.02 0.69 0.14 2.35 -0.73 0.00 0.00 179.01 181.48 2km6 h TRP 10 N 0.60 0.35 -0.65 0.92 7.01 -0.72 0.28 115.95 123.74 2km6 h TRP 10 Ca 0.12 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.07 2km6 h TRP 10 Cb 0.44 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 2km6 h TRP 10 CO 0.02 0.29 0.25 1.15 -2.79 0.00 0.00 178.44 177.36 2km6 h THR 11 N 0.31 1.24 0.10 2.65 2.02 0.43 0.37 112.91 120.03 2km6 h THR 11 Ca 0.09 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 2km6 h THR 11 Cb 0.05 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2km6 h THR 11 CO -0.02 0.30 -0.05 -0.07 0.37 0.00 0.00 175.52 176.06 2km6 h LEU 12 N 0.93 -0.11 -0.93 2.58 3.38 -1.31 -2.95 115.31 116.88 2km6 h LEU 12 Ca 0.22 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2km6 h LEU 12 Cb 0.22 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2km6 h LEU 12 CO -0.02 0.01 0.62 0.06 0.09 0.00 0.00 178.44 179.21 2km6 h GLN 13 N -0.24 1.21 -0.23 1.13 3.07 -0.49 -1.58 115.11 117.99 2km6 h GLN 13 Ca -0.01 -0.07 -0.02 0.00 0.09 0.00 0.00 58.65 58.63 2km6 h GLN 13 Cb 0.19 -0.27 -0.01 0.00 0.08 0.00 0.00 27.48 27.47 2km6 h GLN 13 CO 0.02 0.80 0.05 1.15 0.09 0.00 0.00 178.83 180.94 2km6 h THR 14 N 1.24 1.12 -0.06 1.86 2.02 -0.85 0.47 112.91 118.70 2km6 h THR 14 Ca 0.35 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 2km6 h THR 14 Cb -0.11 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2km6 h THR 14 CO -0.09 0.14 -0.27 -0.07 0.37 0.00 0.00 175.52 175.61 2km6 h LEU 15 N 0.32 0.34 0.00 2.58 3.38 -1.15 -3.06 115.31 117.72 2km6 h LEU 15 Ca 0.08 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2km6 h LEU 15 Cb 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2km6 h LEU 15 CO -0.00 0.93 0.00 0.18 0.09 0.00 0.00 178.44 179.64 2km6 n LEU 16 N -4.48 0.00 0.07 1.67 4.32 -0.58 -1.27 117.00 116.73 2km6 n LEU 16 Ca -0.08 0.45 0.12 0.00 -0.02 0.00 0.00 56.01 56.47 2km6 n LEU 16 Cb 0.47 -0.45 0.16 0.00 -1.62 0.00 0.00 43.42 41.98 2km6 n LEU 16 CO 0.40 -0.09 0.34 -0.33 -1.22 0.00 0.00 177.39 176.49 2km6 h GLU 17 N 0.00 0.00 0.00 3.23 5.08 -0.09 -3.30 114.58 119.50 2km6 h GLU 17 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 2km6 h GLU 17 Cb 0.36 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2km6 h GLU 17 CO 0.00 0.00 -1.71 1.04 -1.00 0.00 0.00 179.01 177.34 2km6 n GLN 18 N -2.22 0.64 -4.03 2.33 6.02 -0.40 -4.76 117.38 114.96 2km6 n GLN 18 Ca 0.03 0.08 -0.31 0.00 -0.01 0.00 0.00 57.00 56.79 2km6 n GLN 18 Cb 0.46 -1.69 -0.16 0.00 1.02 0.00 0.00 30.24 29.87 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 -5.43 2.58 0.14 1.08 0.05 -0.45 -4.89 118.68 111.75 2km6 s LEU 19 Ca -0.05 -1.00 0.00 0.00 0.05 0.00 0.00 54.13 53.13 2km6 s LEU 19 Cb 0.09 -1.36 0.00 0.00 -2.05 0.00 0.00 46.19 42.87 2km6 s LEU 19 CO 0.83 -0.14 0.00 -0.46 -0.55 0.00 0.00 176.35 176.04 2km6 n ASN 20 N 4.60 -1.23 -0.17 1.48 0.23 -1.26 -4.50 115.26 114.41 2km6 n ASN 20 Ca -0.15 0.31 -0.04 0.00 -0.53 0.00 0.00 54.58 54.16 2km6 n ASN 20 Cb 0.46 1.42 -0.04 0.00 -2.08 0.00 0.00 39.78 39.54 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 -2.74 -0.18 -0.33 -3.83 2.13 -1.26 -1.05 120.64 113.37 2km6 n GLU 21 Ca 0.00 0.80 0.02 0.00 0.66 0.00 0.00 57.16 58.64 2km6 n GLU 21 Cb 0.00 -1.19 0.02 0.00 0.27 0.00 0.00 31.44 30.54 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 -4.06 0.44 -0.10 4.31 2.03 -1.26 -4.78 116.55 113.13 2km6 n ASP 22 Ca 0.01 -2.01 -0.13 0.00 0.52 0.00 0.00 54.79 53.18 2km6 n ASP 22 Cb 0.11 -0.20 -0.12 0.00 -0.72 0.00 0.00 41.12 40.19 2km6 n ASP 22 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2km6 n GLU 23 N -0.24 0.78 0.16 -0.67 -0.58 -0.71 -4.31 120.64 115.07 2km6 n GLU 23 Ca 0.02 0.07 0.03 0.00 -0.42 0.00 0.00 57.16 56.87 2km6 n GLU 23 Cb 0.64 -1.46 0.41 0.00 -0.57 0.00 0.00 31.44 30.46 2km6 n GLU 23 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2km6 h LEU 24 N 0.00 0.13 -0.27 -4.62 5.85 -1.33 -1.08 115.31 114.00 2km6 h LEU 24 Ca -0.50 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.23 2km6 h LEU 24 Cb 1.93 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.88 2km6 h LEU 24 CO -0.04 0.34 0.04 0.11 -0.34 0.00 0.00 178.44 178.55 2km6 h LYS 25 N 0.13 0.13 0.19 1.25 1.57 -1.76 0.24 116.57 118.32 2km6 h LYS 25 Ca 0.03 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2km6 h LYS 25 Cb 0.42 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2km6 h LYS 25 CO 0.03 0.09 -0.09 0.77 -0.57 0.00 0.00 179.45 179.67 2km6 h SER 26 N 0.13 -0.22 -0.38 0.86 0.02 -1.55 -2.56 113.55 109.85 2km6 h SER 26 Ca 0.12 -0.11 0.08 0.00 -0.84 0.00 0.00 61.79 61.05 2km6 h SER 26 Cb 0.14 0.06 -0.09 0.00 0.14 0.00 0.00 62.40 62.65 2km6 h SER 26 CO -0.17 -0.03 -0.24 0.15 -1.14 0.00 0.00 176.83 175.40 2km6 h PHE 27 N -0.41 -0.64 -0.80 3.45 3.04 -0.72 0.47 116.94 121.33 2km6 h PHE 27 Ca -0.03 0.05 0.06 0.00 3.98 0.00 0.00 57.97 62.03 2km6 h PHE 27 Cb 0.32 0.34 -0.06 0.00 2.56 0.00 0.00 35.95 39.10 2km6 h PHE 27 CO -0.02 -0.32 0.49 0.87 -2.02 0.00 0.00 178.31 177.31 2km6 h LYS 28 N -0.18 0.86 -0.36 1.11 1.57 -0.53 0.09 116.57 119.12 2km6 h LYS 28 Ca 0.18 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 2km6 h LYS 28 Cb 0.47 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2km6 h LYS 28 CO -0.49 0.57 -0.32 1.03 -0.57 0.00 0.00 179.45 179.68 2km6 h SER 29 N 0.89 0.91 0.01 0.86 0.87 -0.76 -0.64 113.55 115.69 2km6 h SER 29 Ca 0.35 -0.45 -0.15 0.00 -1.23 0.00 0.00 61.79 60.31 2km6 h SER 29 Cb 0.18 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2km6 h SER 29 CO -0.18 1.17 -0.48 -0.07 -0.53 0.00 0.00 176.83 176.74 2km6 h LEU 30 N 0.65 0.59 -1.44 2.23 3.38 -0.62 -0.14 115.31 119.96 2km6 h LEU 30 Ca 0.06 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 2km6 h LEU 30 Cb 0.90 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2km6 h LEU 30 CO 0.08 0.97 -0.28 0.25 0.09 0.00 0.00 178.44 179.55 2km6 h LEU 31 N 0.43 0.00 -1.53 1.67 5.85 -0.83 -1.44 115.31 119.46 2km6 h LEU 31 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2km6 h LEU 31 Cb 1.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2km6 h LEU 31 CO 0.09 0.28 0.00 1.87 -0.34 0.00 0.00 178.44 180.34 2km6 n TRP 32 N -4.12 0.12 -0.05 1.25 -0.00 -0.26 -4.03 117.44 110.34 2km6 n TRP 32 Ca -0.02 -0.06 0.01 0.00 -0.00 0.00 0.00 57.50 57.43 2km6 n TRP 32 Cb 0.34 0.00 -0.16 0.00 -0.00 0.00 0.00 31.31 31.49 2km6 n TRP 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2km6 n ALA 33 N 0.80 2.15 -1.79 5.87 0.00 -0.14 -4.95 120.51 122.46 2km6 n ALA 33 Ca 0.17 -0.91 -0.31 0.00 0.00 0.00 0.00 53.44 52.39 2km6 n ALA 33 Cb 0.47 -0.45 0.02 0.00 0.00 0.00 0.00 19.45 19.49 2km6 n ALA 33 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2km6 s PHE 34 N -2.99 3.47 -0.14 0.00 -0.12 -0.89 -4.96 117.98 112.35 2km6 s PHE 34 Ca -0.09 1.34 -0.29 0.00 -0.05 0.00 0.00 56.93 57.84 2km6 s PHE 34 Cb 0.10 -2.77 -0.05 0.00 -0.63 0.00 0.00 43.02 39.66 2km6 s PHE 34 CO 0.85 -0.81 1.91 -1.25 -0.05 0.00 0.00 175.22 175.88 2km6 s PRO 35 N -5.04 3.68 0.00 1.99 0.04 -1.26 -4.85 135.00 129.56 2km6 s PRO 35 Ca 0.56 2.06 0.19 0.00 0.04 0.00 0.00 61.00 63.85 2km6 s PRO 35 Cb -0.12 -4.18 0.93 0.00 0.04 0.00 0.00 34.50 31.17 2km6 s PRO 35 CO 0.52 -1.46 1.59 1.28 0.04 0.00 0.00 177.00 178.98 2km6 n LEU 36 N 9.23 0.00 0.00 -3.56 4.77 -1.26 -4.90 117.00 121.28 2km6 n LEU 36 Ca 0.23 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 2km6 n LEU 36 Cb 0.44 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2km6 n LEU 36 CO 0.66 -0.12 0.00 -0.62 -1.33 0.00 0.00 177.39 175.98 2km6 n GLU 37 N -1.33 0.00 0.20 3.23 1.02 -1.26 -2.73 120.64 119.76 2km6 n GLU 37 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2km6 n GLU 37 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.59 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 2.10 -3.43 0.22 1.62 2.03 -1.26 -4.94 116.55 112.88 2km6 n ASP 38 Ca 0.00 0.76 0.06 0.00 0.52 0.00 0.00 54.79 56.13 2km6 n ASP 38 Cb 0.00 3.26 0.48 0.00 -0.72 0.00 0.00 41.12 44.15 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 1.07 0.00 5.18 2.07 -1.95 -0.88 116.25 121.74 2km6 h VAL 39 Ca 0.00 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2km6 h VAL 39 Cb 0.00 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2km6 h VAL 39 CO 0.00 0.24 0.00 0.18 0.02 0.00 0.00 177.57 178.01 2km6 n LEU 40 N -4.09 0.00 -0.11 2.57 7.99 -1.11 -1.73 117.00 120.53 2km6 n LEU 40 Ca -0.02 0.28 0.14 0.00 -0.01 0.00 0.00 56.01 56.41 2km6 n LEU 40 Cb 0.31 -0.28 0.63 0.00 -0.11 0.00 0.00 43.42 43.97 2km6 n LEU 40 CO 0.36 -0.01 0.89 0.00 -1.51 0.00 0.00 177.39 177.12 2km6 n GLN 41 N -1.28 0.70 -0.53 3.23 6.02 -0.33 -2.56 117.38 122.62 2km6 n GLN 41 Ca 0.14 -0.22 0.08 0.00 -0.01 0.00 0.00 57.00 56.99 2km6 n GLN 41 Cb 0.23 -1.50 0.30 0.00 1.02 0.00 0.00 30.24 30.29 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 -0.96 3.53 -3.40 -1.09 3.00 -0.71 -4.92 118.16 113.62 2km6 n LYS 42 Ca 0.15 -2.78 -0.44 0.00 -0.00 0.00 0.00 58.31 55.24 2km6 n LYS 42 Cb 0.27 -1.84 -0.09 0.00 0.00 0.00 0.00 35.03 33.37 2km6 n LYS 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2km6 s THR 43 N -2.19 5.22 -0.46 3.15 2.01 -1.06 -4.93 115.64 117.37 2km6 s THR 43 Ca 0.44 -0.81 -0.27 0.00 0.31 0.00 0.00 61.69 61.37 2km6 s THR 43 Cb 0.31 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 2km6 s THR 43 CO 0.16 -0.46 2.18 -2.16 -0.69 0.00 0.00 174.62 173.65 2km6 s PRO 44 N 1.75 2.52 0.44 4.92 0.04 -1.26 -4.88 135.00 138.54 2km6 s PRO 44 Ca 0.06 1.32 0.10 0.00 0.04 0.00 0.00 61.00 62.52 2km6 s PRO 44 Cb -0.21 -4.46 0.98 0.00 0.04 0.00 0.00 34.50 30.85 2km6 s PRO 44 CO 0.09 -2.81 2.07 2.35 0.04 0.00 0.00 177.00 178.74 2km6 h TRP 45 N 17.04 0.32 -0.94 0.56 2.91 -1.97 -2.35 115.95 131.51 2km6 h TRP 45 Ca -0.28 0.00 0.05 0.00 1.13 0.00 0.00 58.89 59.79 2km6 h TRP 45 Cb 1.23 -0.10 -0.06 0.00 -0.51 0.00 0.00 29.16 29.71 2km6 h TRP 45 CO 0.98 0.23 0.60 1.03 -1.03 0.00 0.00 178.44 180.25 2km6 h SER 46 N 0.33 0.98 -0.25 2.65 0.87 -1.99 0.31 113.55 116.45 2km6 h SER 46 Ca 0.09 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.45 2km6 h SER 46 Cb 0.01 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 2km6 h SER 46 CO -0.01 0.65 -0.62 -0.33 -0.53 0.00 0.00 176.83 175.98 2km6 h GLU 47 N 1.13 0.85 0.00 2.24 5.08 -1.85 -2.82 114.58 119.22 2km6 h GLU 47 Ca 0.39 -0.59 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 2km6 h GLU 47 Cb 0.09 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2km6 h GLU 47 CO -0.15 1.22 -0.24 -0.39 -1.00 0.00 0.00 179.01 178.44 2km6 h VAL 48 N 0.63 1.17 0.22 3.13 -1.51 -0.80 -1.66 116.25 117.42 2km6 h VAL 48 Ca -0.01 -0.84 -0.01 0.00 -1.23 0.00 0.00 66.70 64.61 2km6 h VAL 48 Cb 1.24 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 31.85 2km6 h VAL 48 CO 0.13 0.24 -0.11 -0.08 -1.23 0.00 0.00 177.57 176.53 2km6 h GLU 49 N 0.00 -0.29 -0.00 5.19 4.22 -0.33 -3.11 114.58 120.25 2km6 h GLU 49 Ca -0.00 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 2km6 h GLU 49 Cb 0.43 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2km6 h GLU 49 CO 0.03 0.06 -0.05 0.39 -2.18 0.00 0.00 179.01 177.26 2km6 n GLU 50 N -5.06 0.70 -3.41 1.92 1.02 -1.07 -4.75 120.64 109.99 2km6 n GLU 50 Ca -0.09 -0.14 -0.34 0.00 -0.02 0.00 0.00 57.16 56.57 2km6 n GLU 50 Cb 0.25 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.12 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 -2.40 3.59 0.06 0.62 0.00 -0.64 -5.07 121.76 117.92 2km6 s ALA 51 Ca 0.33 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.09 2km6 s ALA 51 Cb 0.21 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 2km6 s ALA 51 CO 0.44 0.49 -0.07 0.16 0.00 0.00 0.00 175.76 176.78 2km6 s ASP 52 N -1.98 0.91 0.45 0.00 1.47 -1.26 -4.68 116.67 111.59 2km6 s ASP 52 Ca 0.41 -0.68 0.00 0.00 1.18 0.00 0.00 52.55 53.46 2km6 s ASP 52 Cb -0.13 0.06 0.00 0.00 -0.34 0.00 0.00 42.92 42.50 2km6 s ASP 52 CO 0.20 -0.29 0.00 0.61 0.68 0.00 0.00 175.17 176.37 2km6 n GLY 53 N 1.03 1.09 0.29 2.12 0.00 -1.24 -0.85 105.19 107.62 2km6 n GLY 53 Ca -0.20 0.67 -0.08 0.00 0.00 0.00 0.00 46.02 46.42 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 1.00 -0.60 1.61 3.64 -1.83 -2.20 116.57 118.20 2km6 h LYS 54 Ca 0.00 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.10 2km6 h LYS 54 Cb 0.00 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 2km6 h LYS 54 CO 0.00 0.92 0.22 0.87 -2.27 0.00 0.00 179.45 179.19 2km6 h LYS 55 N 0.92 0.89 -0.33 1.90 1.79 -1.37 -0.46 116.57 119.90 2km6 h LYS 55 Ca 0.19 -0.15 -0.09 0.00 -2.18 0.00 0.00 60.65 58.43 2km6 h LYS 55 Cb 0.37 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 2km6 h LYS 55 CO 0.00 0.74 -0.15 1.25 -1.08 0.00 0.00 179.45 180.21 2km6 h LEU 56 N 0.87 0.70 -1.55 2.94 5.85 -1.44 -2.36 115.31 120.32 2km6 h LEU 56 Ca 0.20 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.56 2km6 h LEU 56 Cb 0.20 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2km6 h LEU 56 CO -0.02 0.95 0.36 0.00 -0.34 0.00 0.00 178.44 179.39 2km6 h ALA 57 N 0.78 1.78 -0.03 1.25 0.00 -0.83 -0.32 119.26 121.88 2km6 h ALA 57 Ca 0.07 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2km6 h ALA 57 Cb 0.68 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2km6 h ALA 57 CO 0.05 0.15 -0.40 1.49 0.00 0.00 0.00 179.25 180.54 2km6 h GLU 58 N 0.58 0.06 0.00 0.00 4.81 -0.69 -2.41 114.58 116.93 2km6 h GLU 58 Ca 0.22 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.26 2km6 h GLU 58 Cb 0.16 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2km6 h GLU 58 CO -0.06 0.45 -0.83 0.82 -0.73 0.00 0.00 179.01 178.66 2km6 h ILE 59 N 0.05 1.28 -0.80 2.32 2.04 -0.58 -3.00 117.51 118.82 2km6 h ILE 59 Ca 0.00 -2.84 -0.04 0.00 1.00 0.00 0.00 64.86 62.98 2km6 h ILE 59 Cb 0.73 2.62 -0.04 0.00 -0.74 0.00 0.00 36.82 39.40 2km6 h ILE 59 CO 0.05 0.73 0.34 -0.07 0.00 0.00 0.00 178.15 179.20 2km6 h LEU 60 N 0.00 1.08 -0.08 1.44 -0.00 -0.85 -1.90 115.31 115.00 2km6 h LEU 60 Ca -0.02 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 2km6 h LEU 60 Cb 1.61 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 41.99 2km6 h LEU 60 CO 0.10 0.95 0.00 1.33 -0.00 0.00 0.00 178.44 180.82 2km6 n VAL 61 N -4.30 0.00 0.04 1.22 0.24 -1.04 -1.02 118.33 113.47 2km6 n VAL 61 Ca 0.07 -0.02 -0.09 0.00 -2.04 0.00 0.00 64.34 62.26 2km6 n VAL 61 Cb 0.17 -0.41 -0.13 0.00 -1.47 0.00 0.00 33.84 32.00 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 0.20 0.07 0.00 -1.34 -1.24 -1.20 -3.42 115.58 108.65 2km6 h ASN 62 Ca 0.00 -0.10 -0.09 0.00 0.71 0.00 0.00 56.30 56.82 2km6 h ASN 62 Cb 0.04 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 2km6 h ASN 62 CO 0.00 1.08 -1.13 0.35 -1.29 0.00 0.00 177.43 176.44 2km6 n THR 63 N -3.28 0.62 -3.10 -3.57 -2.24 -1.15 -5.06 114.28 96.51 2km6 n THR 63 Ca -0.08 0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.35 2km6 n THR 63 Cb 0.99 -1.65 -0.06 0.00 -2.10 0.00 0.00 70.33 67.52 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 -5.74 7.04 0.53 3.42 0.01 -0.19 -4.93 113.70 113.85 2km6 s SER 64 Ca -0.10 1.41 -0.20 0.00 1.31 0.00 0.00 55.95 58.38 2km6 s SER 64 Cb 0.03 -2.42 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 2km6 s SER 64 CO 0.12 0.02 1.11 -0.55 0.41 0.00 0.00 173.24 174.36 2km6 s SER 65 N -1.69 5.87 0.53 2.44 0.15 -1.26 -4.45 113.70 115.29 2km6 s SER 65 Ca 0.44 2.14 0.28 0.00 0.70 0.00 0.00 55.95 59.51 2km6 s SER 65 Cb -0.16 -2.58 1.46 0.00 -1.71 0.00 0.00 66.02 63.03 2km6 s SER 65 CO 0.21 -1.11 2.07 1.05 1.20 0.00 0.00 173.24 176.65 2km6 h GLU 66 N 1.33 0.00 0.00 5.44 9.09 -1.96 0.33 114.58 128.80 2km6 h GLU 66 Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.91 2km6 h GLU 66 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 2km6 h GLU 66 CO 0.58 0.11 0.00 -1.71 0.05 0.00 0.00 179.01 178.04 2km6 n ASN 67 N -3.57 0.58 -0.11 3.06 2.85 -1.26 -0.69 115.26 116.12 2km6 n ASN 67 Ca -0.02 0.62 -0.18 0.00 -0.11 0.00 0.00 54.58 54.89 2km6 n ASN 67 Cb 0.25 -0.75 -0.09 0.00 1.24 0.00 0.00 39.78 40.42 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 -2.11 0.00 -0.24 1.20 -0.00 0.14 -4.54 117.44 111.89 2km6 n TRP 68 Ca 0.03 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.58 2km6 n TRP 68 Cb 0.26 -0.81 0.30 0.00 -0.00 0.00 0.00 31.31 31.06 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 -0.29 1.04 -0.98 5.87 2.04 -0.20 -1.44 117.51 123.56 2km6 h ILE 69 Ca -0.51 -0.31 0.23 0.00 1.00 0.00 0.00 64.86 65.28 2km6 h ILE 69 Cb 1.65 0.07 -0.08 0.00 -0.74 0.00 0.00 36.82 37.73 2km6 h ILE 69 CO -0.17 0.16 0.64 0.08 0.00 0.00 0.00 178.15 178.86 2km6 h ARG 70 N 0.89 0.39 0.15 2.37 0.11 -1.14 0.93 114.38 118.08 2km6 h ARG 70 Ca 0.35 -0.02 -0.36 0.00 0.10 0.00 0.00 59.98 60.05 2km6 h ARG 70 Cb 0.23 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 2km6 h ARG 70 CO -0.12 0.26 -1.89 -0.97 0.10 0.00 0.00 179.97 177.34 2km6 h ASN 71 N 0.40 0.50 0.04 0.08 -1.24 -1.55 -3.35 115.58 110.46 2km6 h ASN 71 Ca 0.53 -0.95 0.02 0.00 0.71 0.00 0.00 56.30 56.60 2km6 h ASN 71 Cb 1.35 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 40.21 2km6 h ASN 71 CO -0.22 1.83 -0.13 0.00 -1.29 0.00 0.00 177.43 177.62 2km6 h ALA 72 N 0.09 -0.18 0.00 1.57 0.00 -0.51 0.32 119.26 120.55 2km6 h ALA 72 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2km6 h ALA 72 Cb 2.06 0.21 0.00 0.00 0.00 0.00 0.00 17.79 20.06 2km6 h ALA 72 CO 0.13 -0.63 0.00 -2.37 0.00 0.00 0.00 179.25 176.37 2km6 n THR 73 N -5.26 0.00 -0.13 0.00 5.66 0.20 -0.77 114.28 113.98 2km6 n THR 73 Ca -0.06 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.68 2km6 n THR 73 Cb 0.18 -0.49 -0.09 0.00 -1.55 0.00 0.00 70.33 68.38 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 -0.91 1.50 -0.18 1.08 0.31 -0.84 -4.40 118.33 114.89 2km6 n VAL 74 Ca 0.16 -0.29 -0.01 0.00 -0.01 0.00 0.00 64.34 64.20 2km6 n VAL 74 Cb 0.07 -1.96 0.08 0.00 -0.91 0.00 0.00 33.84 31.13 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 -0.98 -0.21 -0.85 4.52 -0.73 0.44 0.32 115.58 118.08 2km6 h ASN 75 Ca -0.57 0.13 -0.01 0.00 1.87 0.00 0.00 56.30 57.72 2km6 h ASN 75 Cb 1.49 0.23 -0.04 0.00 0.27 0.00 0.00 38.32 40.27 2km6 h ASN 75 CO -0.35 -0.08 0.48 0.40 -0.37 0.00 0.00 177.43 177.52 2km6 h ILE 76 N 0.13 1.25 -0.09 2.57 1.08 -1.20 0.17 117.51 121.42 2km6 h ILE 76 Ca 0.29 -0.59 -0.20 0.00 -0.39 0.00 0.00 64.86 63.97 2km6 h ILE 76 Cb 0.45 0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 34.27 2km6 h ILE 76 CO -0.46 0.27 -0.76 -0.07 -0.69 0.00 0.00 178.15 176.44 2km6 h LEU 77 N 1.20 0.59 -0.61 1.44 4.07 -1.32 -1.31 115.31 119.37 2km6 h LEU 77 Ca 0.30 -0.40 0.00 0.00 0.08 0.00 0.00 57.88 57.87 2km6 h LEU 77 Cb 0.00 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.54 2km6 h LEU 77 CO -0.05 1.15 0.39 -0.33 -1.08 0.00 0.00 178.44 178.52 2km6 h GLU 78 N 0.33 0.82 0.00 1.13 4.39 0.10 0.43 114.58 121.78 2km6 h GLU 78 Ca -0.04 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2km6 h GLU 78 Cb 1.35 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2km6 h GLU 78 CO 0.14 0.56 -0.08 0.93 -1.16 0.00 0.00 179.01 179.40 2km6 h GLU 79 N 0.83 0.00 -0.01 2.33 4.39 -0.29 -0.35 114.58 121.47 2km6 h GLU 79 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2km6 h GLU 79 Cb -0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2km6 h GLU 79 CO -0.05 0.08 -0.15 -1.33 -1.16 0.00 0.00 179.01 176.40 2km6 n MET 80 N -4.38 1.23 -2.62 2.33 2.81 -0.53 -4.92 117.12 111.05 2km6 n MET 80 Ca -0.03 -0.75 -0.16 0.00 -1.81 0.00 0.00 57.70 54.95 2km6 n MET 80 Cb 0.16 -1.48 0.01 0.00 -0.71 0.00 0.00 33.22 31.19 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 -0.23 -4.85 -4.66 7.83 5.15 -0.14 -4.98 115.26 113.38 2km6 n ASN 81 Ca 0.15 -0.14 -0.41 0.00 -0.60 0.00 0.00 54.58 53.58 2km6 n ASN 81 Cb 0.36 -3.82 -0.05 0.00 -0.53 0.00 0.00 39.78 35.75 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 -4.85 4.15 -0.00 1.20 1.43 0.02 -4.95 118.68 115.67 2km6 s LEU 82 Ca 0.14 1.04 -0.00 0.00 -1.03 0.00 0.00 54.13 54.27 2km6 s LEU 82 Cb -0.06 -3.11 -0.00 0.00 0.03 0.00 0.00 46.19 43.05 2km6 s LEU 82 CO 0.17 -0.37 -0.01 0.35 0.23 0.00 0.00 176.35 176.72 2km6 n THR 83 N 4.80 0.04 -0.15 5.49 -2.24 -1.26 -4.36 114.28 116.59 2km6 n THR 83 Ca 0.03 0.48 -0.04 0.00 -2.27 0.00 0.00 64.05 62.25 2km6 n THR 83 Cb 0.49 -1.52 -0.04 0.00 -2.10 0.00 0.00 70.33 67.17 2km6 n THR 83 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2km6 n GLU 84 N -2.55 -0.16 0.09 -0.78 0.28 -1.26 -0.02 120.64 116.24 2km6 n GLU 84 Ca -0.00 0.82 -0.05 0.00 -0.16 0.00 0.00 57.16 57.77 2km6 n GLU 84 Cb 0.01 -1.22 0.00 0.00 1.43 0.00 0.00 31.44 31.67 2km6 n GLU 84 CO 0.00 0.00 0.00 1.37 -0.16 0.00 0.00 177.13 178.34 2km6 h LEU 85 N 0.00 0.06 -1.17 -1.84 -0.00 -1.99 -3.16 115.31 107.21 2km6 h LEU 85 Ca 0.06 -0.05 -0.07 0.00 -0.00 0.00 0.00 57.88 57.82 2km6 h LEU 85 Cb 0.15 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 2km6 h LEU 85 CO -0.34 0.87 -0.17 0.00 -0.00 0.00 0.00 178.44 178.81 2km6 h LYS 87 N 0.34 0.00 -0.22 0.00 1.57 -0.41 0.25 116.57 118.10 2km6 h LYS 87 Ca 0.06 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.68 2km6 h LYS 87 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 2km6 h LYS 87 CO 0.03 0.13 -0.53 0.52 -0.57 0.00 0.00 179.45 179.03 2km6 h MET 88 N 0.00 0.65 -0.19 3.15 2.86 -1.24 -1.68 114.93 118.48 2km6 h MET 88 Ca -0.00 -0.40 -0.19 0.00 -2.06 0.00 0.00 59.70 57.05 2km6 h MET 88 Cb 0.33 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2km6 h MET 88 CO 0.02 1.02 -0.65 0.00 1.06 0.00 0.00 176.91 178.36 2km6 h ALA 89 N 0.90 0.49 -0.67 6.32 0.00 -0.81 0.18 119.26 125.67 2km6 h ALA 89 Ca 0.01 -0.56 0.09 0.00 0.00 0.00 0.00 54.91 54.45 2km6 h ALA 89 Cb 1.09 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 2km6 h ALA 89 CO 0.11 0.70 0.33 0.87 0.00 0.00 0.00 179.25 181.25 2km6 h LYS 90 N 0.51 0.55 -0.00 0.00 1.79 -0.45 0.22 116.57 119.19 2km6 h LYS 90 Ca -0.01 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 2km6 h LYS 90 Cb 1.24 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2km6 h LYS 90 CO 0.13 0.37 -0.12 0.00 -1.08 0.00 0.00 179.45 178.75 2km6 h ALA 91 N 1.41 0.02 0.00 3.86 0.00 -1.03 -3.29 119.26 120.23 2km6 h ALA 91 Ca 0.33 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 2km6 h ALA 91 Cb 0.34 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2km6 h ALA 91 CO -0.26 -0.02 -1.07 0.93 0.00 0.00 0.00 179.25 178.84 2km6 h GLU 92 N -0.64 0.00 -0.00 0.00 5.08 -0.53 -3.39 114.58 115.11 2km6 h GLU 92 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2km6 h GLU 92 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2km6 h GLU 92 CO 0.02 0.94 -0.19 -1.33 -1.00 0.00 0.00 179.01 177.46 2km6 n MET 93 N -4.47 0.23 -3.02 2.33 2.81 0.75 -4.48 117.12 111.27 2km6 n MET 93 Ca -0.28 -0.08 -0.44 0.00 -1.81 0.00 0.00 57.70 55.09 2km6 n MET 93 Cb 0.63 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.62 2km6 n MET 93 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 2km6 s MET 94 N -2.83 3.72 -0.03 0.03 -1.94 -1.01 -4.66 119.30 112.58 2km6 s MET 94 Ca 0.18 -2.11 0.20 0.00 -1.71 0.00 0.00 55.69 52.25 2km6 s MET 94 Cb 0.19 -4.84 0.62 0.00 2.01 0.00 0.00 34.83 32.80 2km6 s MET 94 CO 0.56 -1.66 1.51 0.39 -0.01 0.00 0.00 175.02 175.82 2km6 n GLU 95 N 5.74 2.81 0.00 2.03 1.02 -1.26 -4.89 120.64 126.08 2km6 n GLU 95 Ca 0.24 -2.48 0.00 0.00 -0.02 0.00 0.00 57.16 54.90 2km6 n GLU 95 Cb 0.47 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 2km6 n GLU 95 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2km6 n ASP 96 N 1.37 -5.02 0.00 1.62 2.03 -1.26 -5.01 116.55 110.27 2km6 n ASP 96 Ca 0.23 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.54 2km6 n ASP 96 Cb 0.64 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 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 0.00 -0.14 0.42 0.27 0.00 -1.26 -5.06 105.19 99.41 2km6 n GLY 97 Ca 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.11 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26