#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 1.28 0.04 1.12 -4.23 -1.26 -5.05 115.64 107.54 2km6 s THR 4 Ca 0.00 -0.57 -0.24 0.00 -1.18 0.00 0.00 61.69 59.70 2km6 s THR 4 Cb 0.00 -1.15 -0.17 0.00 1.34 0.00 0.00 72.50 72.53 2km6 s THR 4 CO 0.00 0.38 1.51 0.28 -0.54 0.00 0.00 174.62 176.25 2km6 h SER 5 N 6.85 0.04 -0.10 3.99 0.02 -2.04 -2.60 113.55 119.72 2km6 h SER 5 Ca -0.29 -0.25 0.04 0.00 -0.84 0.00 0.00 61.79 60.45 2km6 h SER 5 Cb 1.19 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.66 2km6 h SER 5 CO 0.47 0.28 -0.41 1.55 -1.14 0.00 0.00 176.83 177.59 2km6 h PRO 6 N -0.20 -0.49 -0.71 3.45 0.13 -1.98 0.74 132.00 132.95 2km6 h PRO 6 Ca 0.01 0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.11 2km6 h PRO 6 Cb 0.26 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.47 2km6 h PRO 6 CO 0.00 -0.32 0.18 1.96 -0.23 0.00 0.00 178.00 179.59 2km6 h GLN 7 N -0.50 1.12 0.32 0.86 7.50 -1.98 0.20 115.11 122.62 2km6 h GLN 7 Ca 0.07 -0.26 -0.02 0.00 0.50 0.00 0.00 58.65 58.94 2km6 h GLN 7 Cb 0.63 -0.15 0.00 0.00 0.05 0.00 0.00 27.48 28.01 2km6 h GLN 7 CO -0.37 0.98 -0.15 1.25 -1.50 0.00 0.00 178.83 179.04 2km6 h LEU 8 N 1.06 -0.36 -1.14 1.46 7.12 -1.19 -1.28 115.31 120.97 2km6 h LEU 8 Ca 0.22 -0.08 -0.09 0.00 0.13 0.00 0.00 57.88 58.06 2km6 h LEU 8 Cb 0.36 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.57 2km6 h LEU 8 CO 0.00 -0.14 -0.42 -0.08 -0.13 0.00 0.00 178.44 177.67 2km6 h GLU 9 N -0.57 0.00 -0.36 1.25 4.81 -0.74 -2.39 114.58 116.58 2km6 h GLU 9 Ca -0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2km6 h GLU 9 Cb 0.42 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2km6 h GLU 9 CO 0.07 0.42 0.21 2.35 -0.73 0.00 0.00 179.01 181.33 2km6 h TRP 10 N 0.00 0.48 -0.67 0.92 7.01 -0.36 0.41 115.95 123.73 2km6 h TRP 10 Ca -0.00 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 2km6 h TRP 10 Cb 0.77 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.64 2km6 h TRP 10 CO 0.00 0.35 0.36 1.15 -2.79 0.00 0.00 178.44 177.52 2km6 h THR 11 N 0.47 1.21 0.41 2.65 2.02 -0.72 0.31 112.91 119.26 2km6 h THR 11 Ca 0.13 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 2km6 h THR 11 Cb 0.02 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 2km6 h THR 11 CO -0.02 0.24 -0.31 -0.07 0.37 0.00 0.00 175.52 175.72 2km6 h LEU 12 N 0.92 -0.81 -0.52 2.58 3.38 -1.25 -1.27 115.31 118.35 2km6 h LEU 12 Ca 0.24 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.28 2km6 h LEU 12 Cb 0.05 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2km6 h LEU 12 CO -0.04 -0.47 0.33 0.06 0.09 0.00 0.00 178.44 178.41 2km6 h GLN 13 N -0.71 0.64 -0.71 1.13 3.07 -0.67 -0.65 115.11 117.20 2km6 h GLN 13 Ca -0.04 -0.04 -0.03 0.00 0.09 0.00 0.00 58.65 58.63 2km6 h GLN 13 Cb 0.61 -0.14 -0.03 0.00 0.08 0.00 0.00 27.48 28.00 2km6 h GLN 13 CO 0.00 0.42 0.31 1.15 0.09 0.00 0.00 178.83 180.80 2km6 h THR 14 N 0.65 1.24 -0.14 1.86 2.02 -0.80 0.54 112.91 118.29 2km6 h THR 14 Ca 0.20 -0.71 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 2km6 h THR 14 Cb -0.02 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 2km6 h THR 14 CO -0.07 0.29 -0.13 -0.07 0.37 0.00 0.00 175.52 175.92 2km6 h LEU 15 N 1.02 0.35 -0.92 2.58 3.38 -0.79 -2.96 115.31 117.96 2km6 h LEU 15 Ca 0.24 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2km6 h LEU 15 Cb 0.16 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2km6 h LEU 15 CO -0.02 0.75 -0.08 -0.07 0.09 0.00 0.00 178.44 179.10 2km6 h LEU 16 N -0.05 0.00 -0.01 1.67 3.38 -0.64 0.14 115.31 119.80 2km6 h LEU 16 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2km6 h LEU 16 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2km6 h LEU 16 CO 0.03 0.08 -0.06 -0.62 0.09 0.00 0.00 178.44 177.96 2km6 n GLU 17 N -3.17 0.10 -0.13 1.13 1.02 0.18 -3.12 120.64 116.65 2km6 n GLU 17 Ca 0.01 -0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 2km6 n GLU 17 Cb 0.42 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.23 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 -1.44 0.62 -3.48 3.49 6.02 -0.58 -4.84 117.38 117.17 2km6 n GLN 18 Ca 0.08 0.22 -0.41 0.00 -0.01 0.00 0.00 57.00 56.89 2km6 n GLN 18 Cb 0.32 -1.51 -0.10 0.00 1.02 0.00 0.00 30.24 29.97 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 -7.13 4.67 0.00 1.08 0.05 0.38 -4.73 118.68 113.00 2km6 s LEU 19 Ca -0.37 -0.52 0.00 0.00 0.05 0.00 0.00 54.13 53.29 2km6 s LEU 19 Cb 0.12 -2.19 0.00 0.00 -2.05 0.00 0.00 46.19 42.08 2km6 s LEU 19 CO 0.54 -0.32 0.00 -0.46 -0.55 0.00 0.00 176.35 175.56 2km6 n ASN 20 N 5.19 0.00 0.00 1.48 0.23 -1.26 -4.46 115.26 116.44 2km6 n ASN 20 Ca -0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.94 2km6 n ASN 20 Cb 0.49 0.30 0.00 0.00 -2.08 0.00 0.00 39.78 38.49 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 -2.17 0.00 -0.01 -3.83 2.13 -1.26 -0.74 120.64 114.75 2km6 n GLU 21 Ca 0.00 0.58 0.01 0.00 0.66 0.00 0.00 57.16 58.41 2km6 n GLU 21 Cb 0.00 -0.89 0.01 0.00 0.27 0.00 0.00 31.44 30.83 2km6 n GLU 21 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2km6 n ASP 22 N -2.41 1.74 -0.03 4.31 8.00 -1.26 -4.72 116.55 122.18 2km6 n ASP 22 Ca 0.00 -1.95 -0.20 0.00 0.71 0.00 0.00 54.79 53.35 2km6 n ASP 22 Cb 0.00 -0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 40.94 2km6 n ASP 22 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2km6 h GLU 23 N 0.00 0.15 0.00 -1.24 4.39 -1.73 -3.35 114.58 112.80 2km6 h GLU 23 Ca 0.00 -0.25 -0.07 0.00 0.34 0.00 0.00 59.36 59.37 2km6 h GLU 23 Cb 0.61 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 2km6 h GLU 23 CO 0.00 1.12 -0.34 1.25 -1.16 0.00 0.00 179.01 179.88 2km6 h LEU 24 N -0.58 0.00 -1.08 1.33 5.85 -1.18 -2.02 115.31 117.64 2km6 h LEU 24 Ca -0.26 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.53 2km6 h LEU 24 Cb 1.53 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.49 2km6 h LEU 24 CO -0.01 0.34 0.62 0.11 -0.34 0.00 0.00 178.44 179.16 2km6 h LYS 25 N 0.00 1.05 0.08 1.25 1.57 -1.73 0.13 116.57 118.93 2km6 h LYS 25 Ca -0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2km6 h LYS 25 Cb 0.66 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2km6 h LYS 25 CO 0.04 0.70 -0.04 0.77 -0.57 0.00 0.00 179.45 180.35 2km6 h SER 26 N 1.09 -0.10 -0.88 0.86 0.02 -1.54 -3.32 113.55 109.68 2km6 h SER 26 Ca 0.42 -0.49 0.19 0.00 -0.84 0.00 0.00 61.79 61.07 2km6 h SER 26 Cb 0.22 0.02 -0.11 0.00 0.14 0.00 0.00 62.40 62.68 2km6 h SER 26 CO -0.17 0.50 0.42 0.15 -1.14 0.00 0.00 176.83 176.59 2km6 h PHE 27 N -0.76 0.72 0.00 3.45 3.04 -0.91 0.57 116.94 123.05 2km6 h PHE 27 Ca -0.01 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 2km6 h PHE 27 Cb 0.58 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 38.91 2km6 h PHE 27 CO 0.12 0.06 -0.08 0.87 -2.02 0.00 0.00 178.31 177.26 2km6 h LYS 28 N 0.51 0.00 0.07 1.11 1.57 -0.86 -0.74 116.57 118.23 2km6 h LYS 28 Ca 0.52 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.97 2km6 h LYS 28 Cb 0.88 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 2km6 h LYS 28 CO -0.45 0.08 -1.82 1.03 -0.57 0.00 0.00 179.45 177.72 2km6 h SER 29 N 0.00 0.24 -0.53 0.86 0.87 -1.03 -3.31 113.55 110.64 2km6 h SER 29 Ca -0.00 -0.50 -0.07 0.00 -1.23 0.00 0.00 61.79 59.99 2km6 h SER 29 Cb 0.19 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 2km6 h SER 29 CO 0.01 1.45 0.05 -0.07 -0.53 0.00 0.00 176.83 177.74 2km6 h LEU 30 N 0.04 0.87 0.00 2.23 3.38 -0.48 -1.35 115.31 120.01 2km6 h LEU 30 Ca -0.34 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2km6 h LEU 30 Cb 2.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.54 2km6 h LEU 30 CO 0.09 0.94 0.00 0.00 0.09 0.00 0.00 178.44 179.56 2km6 n LEU 31 N -4.34 0.00 -0.17 1.67 -0.00 -0.36 -1.77 117.00 112.04 2km6 n LEU 31 Ca 0.02 0.46 0.12 0.00 -0.00 0.00 0.00 56.01 56.60 2km6 n LEU 31 Cb 0.29 -0.46 0.17 0.00 -0.00 0.00 0.00 43.42 43.42 2km6 n LEU 31 CO 0.42 -0.03 0.39 1.87 -0.00 0.00 0.00 177.39 180.04 2km6 n TRP 32 N -1.46 0.00 0.01 1.47 -0.00 -0.72 -4.08 117.44 112.67 2km6 n TRP 32 Ca 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.50 2km6 n TRP 32 Cb 0.30 -0.11 -0.13 0.00 -0.00 0.00 0.00 31.31 31.37 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 3.39 0.61 -2.21 5.87 0.00 -0.44 -3.46 119.26 123.02 2km6 h ALA 33 Ca 0.00 -1.23 -0.47 0.00 0.00 0.00 0.00 54.91 53.20 2km6 h ALA 33 Cb 0.55 0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.60 2km6 h ALA 33 CO 0.00 1.44 0.38 -0.59 0.00 0.00 0.00 179.25 180.47 2km6 s PHE 34 N -2.65 3.44 -0.27 0.00 -0.12 -1.22 -4.95 117.98 112.20 2km6 s PHE 34 Ca -0.02 1.46 -0.28 0.00 -0.05 0.00 0.00 56.93 58.04 2km6 s PHE 34 Cb 0.09 -2.80 -0.03 0.00 -0.63 0.00 0.00 43.02 39.64 2km6 s PHE 34 CO 0.82 -0.42 1.99 -1.25 -0.05 0.00 0.00 175.22 176.32 2km6 s PRO 35 N -4.11 3.26 0.34 1.99 0.04 -1.26 -4.95 135.00 130.31 2km6 s PRO 35 Ca 0.59 1.73 -0.27 0.00 0.04 0.00 0.00 61.00 63.09 2km6 s PRO 35 Cb -0.10 -4.28 -0.09 0.00 0.04 0.00 0.00 34.50 30.07 2km6 s PRO 35 CO 0.32 -1.95 1.13 -0.51 0.04 0.00 0.00 177.00 176.04 2km6 s LEU 36 N 7.48 4.38 0.00 -3.56 1.43 -1.26 -5.03 118.68 122.11 2km6 s LEU 36 Ca 0.90 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 56.29 2km6 s LEU 36 Cb -0.28 -3.82 0.05 0.00 0.03 0.00 0.00 46.19 42.17 2km6 s LEU 36 CO 0.34 -0.38 0.34 -0.62 0.23 0.00 0.00 176.35 176.27 2km6 n GLU 37 N 0.66 0.39 -0.09 1.70 1.02 -1.26 -4.65 120.64 118.40 2km6 n GLU 37 Ca 0.01 -0.95 -0.08 0.00 -0.02 0.00 0.00 57.16 56.13 2km6 n GLU 37 Cb 0.46 -0.22 -0.06 0.00 -0.02 0.00 0.00 31.44 31.60 2km6 n GLU 37 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2km6 h ASP 38 N -0.20 -1.08 0.66 1.62 3.58 -1.96 0.15 116.42 119.20 2km6 h ASP 38 Ca -0.11 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2km6 h ASP 38 Cb 0.42 0.44 0.00 0.00 1.72 0.00 0.00 39.33 41.92 2km6 h ASP 38 CO 0.12 -0.22 -0.07 0.55 -2.88 0.00 0.00 179.24 176.74 2km6 n VAL 39 N -4.23 0.00 0.05 2.25 3.14 -1.26 -3.38 118.33 114.90 2km6 n VAL 39 Ca -0.02 -0.01 -0.18 0.00 -2.96 0.00 0.00 64.34 61.17 2km6 n VAL 39 Cb 0.19 -0.34 -0.14 0.00 -1.06 0.00 0.00 33.84 32.48 2km6 n VAL 39 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2km6 h LEU 40 N 0.12 0.42 -7.91 6.55 4.07 -1.45 -3.40 115.31 113.71 2km6 h LEU 40 Ca 0.00 -0.67 -0.67 0.00 0.08 0.00 0.00 57.88 56.63 2km6 h LEU 40 Cb 0.39 -0.14 -0.10 0.00 1.08 0.00 0.00 40.66 41.90 2km6 h LEU 40 CO 0.00 1.57 1.92 -1.58 -1.08 0.00 0.00 178.44 179.27 2km6 s GLN 41 N -2.59 3.89 0.00 1.13 0.74 0.37 -1.84 119.66 121.35 2km6 s GLN 41 Ca -0.13 -1.83 0.00 0.00 0.05 0.00 0.00 55.36 53.45 2km6 s GLN 41 Cb 0.06 -5.43 0.00 0.00 1.10 0.00 0.00 33.01 28.74 2km6 s GLN 41 CO 0.84 -2.19 0.00 0.36 -0.55 0.00 0.00 175.29 173.75 2km6 n LYS 42 N 8.21 0.00 -1.48 1.67 2.85 -1.26 -4.97 118.16 123.18 2km6 n LYS 42 Ca 0.43 0.00 -0.62 0.00 -1.05 0.00 0.00 58.31 57.08 2km6 n LYS 42 Cb 0.47 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.75 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 0.00 0.04 -1.53 0.58 -1.04 -0.77 -4.75 114.28 106.81 2km6 n THR 43 Ca 0.00 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.05 61.58 2km6 n THR 43 Cb 0.00 -0.67 -0.05 0.00 -1.82 0.00 0.00 70.33 67.79 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 6.19 1.07 0.19 -2.82 -0.04 -1.26 -4.82 135.00 133.51 2km6 n PRO 44 Ca 0.43 0.15 0.03 0.00 -0.04 0.00 0.00 63.50 64.07 2km6 n PRO 44 Cb -0.01 -2.96 0.38 0.00 -0.04 0.00 0.00 33.50 30.87 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 16.43 0.00 0.00 0.54 2.91 -1.99 -1.40 115.95 132.44 2km6 h TRP 45 Ca -0.25 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.77 2km6 h TRP 45 Cb 1.28 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 2km6 h TRP 45 CO 0.97 0.36 0.00 0.43 -1.03 0.00 0.00 178.44 179.17 2km6 n SER 46 N -4.00 0.00 -0.10 2.65 7.64 -1.26 -0.08 113.62 118.46 2km6 n SER 46 Ca -0.02 0.07 -0.19 0.00 1.01 0.00 0.00 58.87 59.74 2km6 n SER 46 Cb 0.41 -0.30 -0.09 0.00 -1.01 0.00 0.00 64.21 63.22 2km6 n SER 46 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2km6 n GLU 47 N -1.30 0.55 -0.13 1.43 -0.58 -0.60 -4.57 120.64 115.44 2km6 n GLU 47 Ca 0.08 0.49 0.03 0.00 -0.42 0.00 0.00 57.16 57.34 2km6 n GLU 47 Cb 0.14 -1.67 0.33 0.00 -0.57 0.00 0.00 31.44 29.67 2km6 n GLU 47 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 2km6 h VAL 48 N -1.00 1.14 0.44 2.62 -1.51 -0.53 -2.45 116.25 114.96 2km6 h VAL 48 Ca -0.33 -0.28 -0.02 0.00 -1.23 0.00 0.00 66.70 64.85 2km6 h VAL 48 Cb 1.19 0.26 -0.00 0.00 -2.13 0.00 0.00 31.29 30.61 2km6 h VAL 48 CO -0.20 0.15 -0.25 -0.08 -1.23 0.00 0.00 177.57 175.96 2km6 h GLU 49 N 0.80 -0.62 -0.64 5.19 4.22 -0.74 -2.55 114.58 120.24 2km6 h GLU 49 Ca 0.23 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.71 2km6 h GLU 49 Cb -0.05 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2km6 h GLU 49 CO -0.05 -0.42 0.00 0.39 -2.18 0.00 0.00 179.01 176.75 2km6 n GLU 50 N -5.38 2.69 -3.17 1.92 1.02 -1.21 -4.90 120.64 111.61 2km6 n GLU 50 Ca -0.11 -2.34 -0.37 0.00 -0.02 0.00 0.00 57.16 54.31 2km6 n GLU 50 Cb 0.29 -1.57 -0.06 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.29 3.49 0.06 0.62 0.00 -0.92 -5.07 121.76 118.64 2km6 s ALA 51 Ca 0.43 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.53 2km6 s ALA 51 Cb 0.24 -2.75 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 2km6 s ALA 51 CO 0.27 0.36 -0.08 0.16 0.00 0.00 0.00 175.76 176.48 2km6 s ASP 52 N -1.46 0.97 0.26 0.00 -4.77 -1.26 -4.73 116.67 105.69 2km6 s ASP 52 Ca 0.38 -0.70 0.00 0.00 -3.30 0.00 0.00 52.55 48.93 2km6 s ASP 52 Cb -0.18 0.05 0.00 0.00 -1.09 0.00 0.00 42.92 41.70 2km6 s ASP 52 CO 0.21 -0.28 0.00 0.61 0.70 0.00 0.00 175.17 176.41 2km6 n GLY 53 N 0.97 1.05 0.29 2.12 0.00 -1.18 -0.53 105.19 107.91 2km6 n GLY 53 Ca -0.19 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 0.65 -0.27 1.61 3.64 -1.84 -1.82 116.57 118.53 2km6 h LYS 54 Ca 0.00 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 59.11 2km6 h LYS 54 Cb 0.00 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2km6 h LYS 54 CO 0.00 0.57 -0.48 0.87 -2.27 0.00 0.00 179.45 178.14 2km6 h LYS 55 N 0.64 0.74 -0.45 1.90 1.79 -1.19 -2.80 116.57 117.20 2km6 h LYS 55 Ca 0.15 -0.43 -0.14 0.00 -2.18 0.00 0.00 60.65 58.04 2km6 h LYS 55 Cb 0.20 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 2km6 h LYS 55 CO -0.01 1.06 -0.28 1.25 -1.08 0.00 0.00 179.45 180.39 2km6 h LEU 56 N 0.59 1.02 -1.26 2.94 5.85 -1.33 -2.62 115.31 120.50 2km6 h LEU 56 Ca 0.03 -0.42 0.07 0.00 0.84 0.00 0.00 57.88 58.40 2km6 h LEU 56 Cb 1.05 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 2km6 h LEU 56 CO 0.10 1.22 0.54 0.00 -0.34 0.00 0.00 178.44 179.96 2km6 h ALA 57 N 0.83 1.63 -0.44 1.25 0.00 -1.32 -0.74 119.26 120.46 2km6 h ALA 57 Ca 0.09 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2km6 h ALA 57 Cb 0.87 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2km6 h ALA 57 CO 0.08 0.23 -0.06 1.49 0.00 0.00 0.00 179.25 180.99 2km6 h GLU 58 N 0.87 0.77 -0.02 0.00 4.81 -1.20 -0.98 114.58 118.83 2km6 h GLU 58 Ca 0.36 -0.23 -0.25 0.00 -0.13 0.00 0.00 59.36 59.11 2km6 h GLU 58 Cb 0.28 -0.08 0.02 0.00 0.63 0.00 0.00 28.75 29.60 2km6 h GLU 58 CO -0.13 0.81 -0.99 0.82 -0.73 0.00 0.00 179.01 178.79 2km6 h ILE 59 N 0.70 1.31 -0.43 2.32 2.04 -0.92 -2.59 117.51 119.94 2km6 h ILE 59 Ca 0.13 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.73 2km6 h ILE 59 Cb 0.52 2.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 2km6 h ILE 59 CO 0.03 0.70 0.27 -0.07 0.00 0.00 0.00 178.15 179.07 2km6 h LEU 60 N 0.37 0.50 0.00 1.44 -0.00 -0.88 -2.46 115.31 114.28 2km6 h LEU 60 Ca -0.11 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 2km6 h LEU 60 Cb 1.63 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 42.17 2km6 h LEU 60 CO 0.19 0.39 0.00 0.55 -0.00 0.00 0.00 178.44 179.57 2km6 n VAL 61 N -4.77 0.12 0.00 1.22 3.14 -0.40 -1.07 118.33 116.58 2km6 n VAL 61 Ca 0.01 0.03 -0.18 0.00 -2.96 0.00 0.00 64.34 61.24 2km6 n VAL 61 Cb 0.04 -0.57 -0.10 0.00 -1.06 0.00 0.00 33.84 32.15 2km6 n VAL 61 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 2km6 h ASN 62 N 0.00 0.66 0.00 6.55 -0.73 -1.03 -3.40 115.58 117.63 2km6 h ASN 62 Ca 0.00 -0.72 -0.24 0.00 1.87 0.00 0.00 56.30 57.21 2km6 h ASN 62 Cb 0.33 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 38.68 2km6 h ASN 62 CO 0.00 1.28 -1.91 0.35 -0.37 0.00 0.00 177.43 176.78 2km6 n THR 63 N -4.13 0.91 -3.43 -3.57 -2.24 -1.15 -5.01 114.28 95.66 2km6 n THR 63 Ca -0.10 -0.34 -0.34 0.00 -2.27 0.00 0.00 64.05 61.00 2km6 n THR 63 Cb 0.70 -1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 67.78 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 -5.58 6.70 0.33 3.42 0.01 -0.23 -4.72 113.70 113.62 2km6 s SER 64 Ca -0.22 0.95 -0.28 0.00 1.31 0.00 0.00 55.95 57.72 2km6 s SER 64 Cb 0.06 -2.24 -0.09 0.00 0.21 0.00 0.00 66.02 63.95 2km6 s SER 64 CO 0.36 0.04 1.13 -0.55 0.41 0.00 0.00 173.24 174.64 2km6 s SER 65 N -2.01 6.99 0.33 2.44 0.15 -1.26 -4.51 113.70 115.84 2km6 s SER 65 Ca 0.41 2.31 0.06 0.00 0.70 0.00 0.00 55.95 59.43 2km6 s SER 65 Cb -0.13 -2.62 0.71 0.00 -1.71 0.00 0.00 66.02 62.27 2km6 s SER 65 CO 0.20 -0.34 1.88 1.05 1.20 0.00 0.00 173.24 177.23 2km6 h GLU 66 N 3.36 0.79 0.00 5.44 9.09 -1.94 0.26 114.58 131.58 2km6 h GLU 66 Ca -0.48 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 58.89 2km6 h GLU 66 Cb 1.22 -0.18 0.00 0.00 -1.65 0.00 0.00 28.75 28.14 2km6 h GLU 66 CO 0.65 0.52 0.00 -1.71 0.05 0.00 0.00 179.01 178.52 2km6 n ASN 67 N -4.55 0.65 -0.06 3.06 5.15 -1.26 -2.52 115.26 115.73 2km6 n ASN 67 Ca 0.16 0.57 -0.19 0.00 -0.60 0.00 0.00 54.58 54.53 2km6 n ASN 67 Cb 0.37 -0.74 -0.13 0.00 -0.53 0.00 0.00 39.78 38.75 2km6 n ASN 67 CO 0.00 0.00 0.00 1.87 1.40 0.00 0.00 177.26 180.53 2km6 n TRP 68 N -2.12 0.67 0.22 1.20 -0.00 0.10 -4.19 117.44 113.33 2km6 n TRP 68 Ca 0.05 0.15 0.06 0.00 -0.00 0.00 0.00 57.50 57.76 2km6 n TRP 68 Cb 0.39 -1.09 0.52 0.00 -0.00 0.00 0.00 31.31 31.13 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 0.04 1.11 0.00 5.87 2.04 -0.51 -1.28 117.51 124.77 2km6 h ILE 69 Ca -0.49 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 64.88 2km6 h ILE 69 Cb 1.99 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 2km6 h ILE 69 CO 0.01 0.14 0.00 -2.11 0.00 0.00 0.00 178.15 176.20 2km6 n ARG 70 N -4.37 0.35 -0.05 2.37 1.85 -1.05 -1.14 116.66 114.63 2km6 n ARG 70 Ca -0.02 0.06 -0.10 0.00 -1.00 0.00 0.00 57.85 56.78 2km6 n ARG 70 Cb 0.21 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.08 2km6 n ARG 70 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2km6 n ASN 71 N -1.10 1.79 0.13 2.89 5.15 -0.58 -4.62 115.26 118.91 2km6 n ASN 71 Ca 0.09 0.06 -0.16 0.00 -0.60 0.00 0.00 54.58 53.97 2km6 n ASN 71 Cb 0.07 -0.26 -0.09 0.00 -0.53 0.00 0.00 39.78 38.97 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 -0.24 -0.92 -0.28 5.20 0.00 -0.50 0.14 119.26 122.65 2km6 h ALA 72 Ca -0.27 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2km6 h ALA 72 Cb 1.30 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 2km6 h ALA 72 CO -0.12 -1.09 -0.03 0.00 0.00 0.00 0.00 179.25 178.02 2km6 h THR 73 N -0.74 1.19 -0.23 0.00 1.03 -1.42 -2.16 112.91 110.58 2km6 h THR 73 Ca 0.00 -0.77 -0.03 0.00 -0.01 0.00 0.00 66.41 65.60 2km6 h THR 73 Cb 0.75 1.01 -0.01 0.00 -1.07 0.00 0.00 68.15 68.83 2km6 h THR 73 CO -0.26 0.26 0.02 0.58 -0.01 0.00 0.00 175.52 176.11 2km6 h VAL 74 N 0.42 1.24 -0.40 0.00 2.07 -1.64 -1.74 116.25 116.21 2km6 h VAL 74 Ca 0.09 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 2km6 h VAL 74 Cb 0.33 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2km6 h VAL 74 CO 0.01 0.25 -0.04 -1.13 0.02 0.00 0.00 177.57 176.68 2km6 h ASN 75 N 0.17 0.64 -0.52 0.57 -0.00 -0.53 0.25 115.58 116.17 2km6 h ASN 75 Ca 0.07 -0.15 -0.07 0.00 -0.00 0.00 0.00 56.30 56.14 2km6 h ASN 75 Cb 0.35 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 38.48 2km6 h ASN 75 CO 0.01 0.74 0.06 0.40 -0.00 0.00 0.00 177.43 178.63 2km6 h ILE 76 N 0.62 1.26 -0.84 2.57 1.08 -1.19 0.20 117.51 121.21 2km6 h ILE 76 Ca 0.12 -0.99 0.01 0.00 -0.39 0.00 0.00 64.86 63.61 2km6 h ILE 76 Cb 0.45 0.89 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 2km6 h ILE 76 CO 0.02 0.35 0.56 -0.07 -0.69 0.00 0.00 178.15 178.32 2km6 h LEU 77 N 0.75 0.96 -0.73 1.44 3.38 -0.67 -1.08 115.31 119.36 2km6 h LEU 77 Ca 0.15 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2km6 h LEU 77 Cb 0.44 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2km6 h LEU 77 CO 0.02 0.69 0.48 -0.33 0.09 0.00 0.00 178.44 179.39 2km6 h GLU 78 N 1.13 0.95 -0.44 1.13 5.08 -0.44 0.17 114.58 122.17 2km6 h GLU 78 Ca 0.31 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 2km6 h GLU 78 Cb -0.12 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.90 2km6 h GLU 78 CO -0.07 0.63 0.06 1.49 -1.00 0.00 0.00 179.01 180.12 2km6 h GLU 79 N 0.98 0.68 -0.01 2.33 4.57 -0.32 -0.94 114.58 121.86 2km6 h GLU 79 Ca 0.27 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 2km6 h GLU 79 Cb -0.10 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.39 2km6 h GLU 79 CO -0.06 0.65 0.00 -1.33 -1.18 0.00 0.00 179.01 177.09 2km6 n MET 80 N -4.28 1.08 -2.27 1.92 2.81 -0.47 -4.86 117.12 111.05 2km6 n MET 80 Ca 0.03 -0.12 -0.15 0.00 -1.81 0.00 0.00 57.70 55.65 2km6 n MET 80 Cb 0.24 -1.46 -0.01 0.00 -0.71 0.00 0.00 33.22 31.28 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 -0.82 -4.49 -4.38 7.83 5.15 -0.36 -4.96 115.26 113.23 2km6 n ASN 81 Ca 0.22 -0.01 -0.45 0.00 -0.60 0.00 0.00 54.58 53.74 2km6 n ASN 81 Cb 0.13 -3.63 -0.05 0.00 -0.53 0.00 0.00 39.78 35.70 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 -4.24 5.38 -0.23 1.20 1.43 0.53 -4.86 118.68 117.90 2km6 s LEU 82 Ca 0.00 -1.37 -0.03 0.00 -1.03 0.00 0.00 54.13 51.70 2km6 s LEU 82 Cb 0.00 -2.32 -0.19 0.00 0.03 0.00 0.00 46.19 43.72 2km6 s LEU 82 CO 0.00 -1.06 -0.08 0.35 0.23 0.00 0.00 176.35 175.80 2km6 n THR 83 N 5.53 1.57 -0.13 5.49 -2.24 -1.26 -4.10 114.28 119.14 2km6 n THR 83 Ca -0.09 -0.55 -0.06 0.00 -2.27 0.00 0.00 64.05 61.07 2km6 n THR 83 Cb 0.43 -1.56 -0.05 0.00 -2.10 0.00 0.00 70.33 67.05 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 -0.12 -0.09 0.00 -0.78 4.11 -1.98 0.25 114.58 115.97 2km6 h GLU 84 Ca -0.55 0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.89 2km6 h GLU 84 Cb 1.88 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.15 2km6 h GLU 84 CO -0.08 -0.06 -0.31 1.37 0.07 0.00 0.00 179.01 179.99 2km6 h LEU 85 N -0.09 0.00 -0.28 3.06 -0.00 -2.00 -3.21 115.31 112.79 2km6 h LEU 85 Ca 0.06 -0.10 -0.20 0.00 -0.00 0.00 0.00 57.88 57.63 2km6 h LEU 85 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 2km6 h LEU 85 CO -0.37 0.05 -0.77 0.00 -0.00 0.00 0.00 178.44 177.36 2km6 h LYS 87 N 0.39 0.00 -0.13 0.00 1.57 -0.57 -0.26 116.57 117.57 2km6 h LYS 87 Ca -0.04 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.55 2km6 h LYS 87 Cb 1.37 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.68 2km6 h LYS 87 CO 0.14 0.14 -0.69 0.52 -0.57 0.00 0.00 179.45 178.99 2km6 h MET 88 N 0.00 0.56 -0.33 3.15 2.86 -1.41 -1.67 114.93 118.09 2km6 h MET 88 Ca -0.00 -0.43 -0.08 0.00 -2.06 0.00 0.00 59.70 57.13 2km6 h MET 88 Cb 0.51 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 2km6 h MET 88 CO 0.02 1.05 -0.15 0.00 1.06 0.00 0.00 176.91 178.89 2km6 h ALA 89 N 0.84 1.14 -0.63 6.32 0.00 -0.09 0.26 119.26 127.09 2km6 h ALA 89 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2km6 h ALA 89 Cb 1.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2km6 h ALA 89 CO 0.13 0.54 0.39 0.87 0.00 0.00 0.00 179.25 181.18 2km6 h LYS 90 N 0.53 0.84 -0.01 0.00 1.79 -0.93 0.37 116.57 119.15 2km6 h LYS 90 Ca 0.09 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2km6 h LYS 90 Cb 0.56 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2km6 h LYS 90 CO 0.04 0.58 -0.19 0.00 -1.08 0.00 0.00 179.45 178.80 2km6 n ALA 91 N -2.29 2.94 0.00 3.86 0.00 -0.65 -4.01 120.51 120.37 2km6 n ALA 91 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2km6 n ALA 91 Cb 0.04 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.56 0.00 0.18 0.00 1.02 0.82 -4.85 120.64 117.26 2km6 n GLU 92 Ca 0.14 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.38 2km6 n GLU 92 Cb 0.34 -0.39 0.11 0.00 -0.02 0.00 0.00 31.44 31.48 2km6 n GLU 92 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 2km6 h MET 93 N 0.00 0.00 -4.25 3.49 4.05 -0.42 -3.37 114.93 114.43 2km6 h MET 93 Ca 0.00 0.00 -0.71 0.00 -0.28 0.00 0.00 59.70 58.71 2km6 h MET 93 Cb 0.50 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.25 2km6 h MET 93 CO 0.00 0.10 2.92 -1.33 0.23 0.00 0.00 176.91 178.83 2km6 n MET 94 N -3.06 2.95 -1.97 0.39 2.81 -1.00 -4.82 117.12 112.42 2km6 n MET 94 Ca 0.03 -2.77 -0.42 0.00 -1.81 0.00 0.00 57.70 52.74 2km6 n MET 94 Cb 0.58 -3.30 -0.01 0.00 -0.71 0.00 0.00 33.22 29.78 2km6 n MET 94 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2km6 n GLU 95 N 6.31 2.75 -4.11 0.03 2.13 -1.26 -4.83 120.64 121.65 2km6 n GLU 95 Ca 0.51 -2.74 -0.09 0.00 0.66 0.00 0.00 57.16 55.50 2km6 n GLU 95 Cb 0.40 -3.35 -0.10 0.00 0.27 0.00 0.00 31.44 28.66 2km6 n GLU 95 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2km6 s ASP 96 N 3.94 0.37 0.00 4.31 2.15 -1.26 -4.69 116.67 121.49 2km6 s ASP 96 Ca 0.52 -1.10 0.00 0.00 0.43 0.00 0.00 52.55 52.40 2km6 s ASP 96 Cb 0.10 0.26 0.00 0.00 -0.30 0.00 0.00 42.92 42.98 2km6 s ASP 96 CO 0.00 -0.68 0.00 0.61 -0.17 0.00 0.00 175.17 174.93 2km6 n GLY 97 N -0.01 0.89 0.00 2.66 0.00 -1.26 -5.16 105.19 102.30 2km6 n GLY 97 Ca -0.09 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.44 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26