#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 5.28 -0.26 1.12 -4.23 -1.26 -5.04 115.64 111.25 2km6 s THR 4 Ca 0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.40 2km6 s THR 4 Cb 0.00 -3.60 -0.15 0.00 1.34 0.00 0.00 72.50 70.09 2km6 s THR 4 CO 0.00 0.21 -0.20 -0.24 -0.54 0.00 0.00 174.62 173.85 2km6 n SER 5 N 0.61 1.96 0.25 3.99 2.88 -1.26 -3.97 113.62 118.08 2km6 n SER 5 Ca -0.07 0.24 0.13 0.00 -1.33 0.00 0.00 58.87 57.84 2km6 n SER 5 Cb 0.52 -0.76 0.60 0.00 -0.75 0.00 0.00 64.21 63.83 2km6 n SER 5 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2km6 h PRO 6 N -0.72 0.00 0.00 -1.46 0.11 -2.04 -1.84 132.00 126.06 2km6 h PRO 6 Ca -0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.50 2km6 h PRO 6 Cb 1.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.77 2km6 h PRO 6 CO -0.29 0.14 0.00 1.96 -0.21 0.00 0.00 178.00 179.60 2km6 h GLN 7 N 0.00 0.00 0.00 1.05 1.08 -1.96 -3.30 115.11 111.97 2km6 h GLN 7 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2km6 h GLN 7 Cb 0.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2km6 h GLN 7 CO 0.02 0.00 0.00 -0.11 -0.95 0.00 0.00 178.83 177.79 2km6 n LEU 8 N -2.77 0.00 0.18 1.46 7.94 -0.69 0.21 117.00 123.33 2km6 n LEU 8 Ca 0.04 0.85 0.13 0.00 -1.11 0.00 0.00 56.01 55.92 2km6 n LEU 8 Cb 0.47 -0.35 0.28 0.00 0.53 0.00 0.00 43.42 44.34 2km6 n LEU 8 CO 0.32 -0.35 0.85 -0.08 -1.11 0.00 0.00 177.39 177.01 2km6 h GLU 9 N 0.00 0.00 0.33 1.96 4.81 -1.75 -3.03 114.58 116.90 2km6 h GLU 9 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2km6 h GLU 9 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2km6 h GLU 9 CO 0.00 0.00 -0.16 2.35 -0.73 0.00 0.00 179.01 180.47 2km6 h TRP 10 N 0.00 -0.41 -0.56 0.92 7.01 -1.58 0.12 115.95 121.45 2km6 h TRP 10 Ca 0.00 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.99 2km6 h TRP 10 Cb 0.88 0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 28.05 2km6 h TRP 10 CO 0.00 -0.09 0.35 1.15 -2.79 0.00 0.00 178.44 177.07 2km6 h THR 11 N -0.77 1.16 -0.10 2.65 2.02 -0.22 0.24 112.91 117.88 2km6 h THR 11 Ca -0.05 -0.33 0.03 0.00 0.77 0.00 0.00 66.41 66.84 2km6 h THR 11 Cb 0.51 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 2km6 h THR 11 CO 0.07 0.16 -0.08 -0.07 0.37 0.00 0.00 175.52 175.97 2km6 h LEU 12 N 0.76 -0.26 -0.54 2.58 3.38 -1.53 -1.45 115.31 118.24 2km6 h LEU 12 Ca 0.20 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 2km6 h LEU 12 Cb -0.05 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2km6 h LEU 12 CO -0.04 -0.12 0.04 0.06 0.09 0.00 0.00 178.44 178.48 2km6 h GLN 13 N -0.10 0.92 -0.39 1.13 3.07 -0.25 -1.25 115.11 118.24 2km6 h GLN 13 Ca 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 58.65 58.51 2km6 h GLN 13 Cb 0.20 -0.09 -0.02 0.00 0.08 0.00 0.00 27.48 27.64 2km6 h GLN 13 CO -0.16 0.91 0.12 1.15 0.09 0.00 0.00 178.83 180.95 2km6 h THR 14 N 0.80 1.17 -0.04 1.86 2.02 -0.22 0.53 112.91 119.02 2km6 h THR 14 Ca 0.16 -0.55 -0.06 0.00 0.77 0.00 0.00 66.41 66.73 2km6 h THR 14 Cb 0.47 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2km6 h THR 14 CO 0.02 0.21 -0.19 -0.07 0.37 0.00 0.00 175.52 175.85 2km6 h LEU 15 N 0.56 0.23 -0.98 2.58 3.38 -1.01 -3.23 115.31 116.84 2km6 h LEU 15 Ca 0.13 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2km6 h LEU 15 Cb 0.17 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2km6 h LEU 15 CO -0.01 0.86 0.00 -0.07 0.09 0.00 0.00 178.44 179.31 2km6 h LEU 16 N -0.38 0.00 -0.00 1.67 3.38 -0.57 -0.55 115.31 118.86 2km6 h LEU 16 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2km6 h LEU 16 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2km6 h LEU 16 CO 0.04 0.00 -0.04 -0.62 0.09 0.00 0.00 178.44 177.91 2km6 n GLU 17 N -2.78 0.05 -0.09 1.13 1.02 0.18 -3.16 120.64 116.99 2km6 n GLU 17 Ca 0.02 -0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.04 2km6 n GLU 17 Cb 0.32 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.19 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 -1.47 0.51 -3.10 3.49 6.02 -0.34 -4.84 117.38 117.65 2km6 n GLN 18 Ca 0.08 0.38 -0.42 0.00 -0.01 0.00 0.00 57.00 57.03 2km6 n GLN 18 Cb 0.33 -1.58 -0.06 0.00 1.02 0.00 0.00 30.24 29.95 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 -7.98 4.24 0.20 1.08 0.05 -0.45 -4.67 118.68 111.16 2km6 s LEU 19 Ca -0.25 0.18 0.00 0.00 0.05 0.00 0.00 54.13 54.11 2km6 s LEU 19 Cb 0.05 -2.81 0.00 0.00 -2.05 0.00 0.00 46.19 41.38 2km6 s LEU 19 CO 0.38 -0.60 0.00 -0.46 -0.55 0.00 0.00 176.35 175.11 2km6 n ASN 20 N 6.07 -1.79 -0.23 1.48 0.23 -1.26 -4.45 115.26 115.31 2km6 n ASN 20 Ca -0.01 0.49 -0.06 0.00 -0.53 0.00 0.00 54.58 54.47 2km6 n ASN 20 Cb 0.49 1.88 -0.06 0.00 -2.08 0.00 0.00 39.78 40.01 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 -2.94 -0.24 0.00 -3.83 2.13 -1.26 -0.54 120.64 113.95 2km6 n GLU 21 Ca 0.00 1.26 0.00 0.00 0.66 0.00 0.00 57.16 59.08 2km6 n GLU 21 Cb 0.00 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 29.85 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 -4.25 1.59 -0.07 4.31 2.03 -1.26 -4.71 116.55 114.20 2km6 n ASP 22 Ca 0.01 -1.76 -0.14 0.00 0.52 0.00 0.00 54.79 53.42 2km6 n ASP 22 Cb 0.14 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.38 0.68 0.17 -0.67 -0.58 -0.89 -4.13 120.64 114.84 2km6 n GLU 23 Ca 0.00 0.15 0.02 0.00 -0.42 0.00 0.00 57.16 56.91 2km6 n GLU 23 Cb 0.27 -1.61 0.31 0.00 -0.57 0.00 0.00 31.44 29.83 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 0.01 0.00 -0.74 -4.62 5.85 -1.04 -2.08 115.31 112.70 2km6 h LEU 24 Ca -0.48 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.33 2km6 h LEU 24 Cb 2.06 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 43.02 2km6 h LEU 24 CO 0.02 0.45 0.39 0.11 -0.34 0.00 0.00 178.44 179.06 2km6 h LYS 25 N 0.00 0.64 0.37 1.25 1.57 -1.73 0.32 116.57 118.99 2km6 h LYS 25 Ca -0.00 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2km6 h LYS 25 Cb 0.83 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2km6 h LYS 25 CO 0.06 0.42 -0.18 0.77 -0.57 0.00 0.00 179.45 179.95 2km6 h SER 26 N 0.66 -0.43 -0.38 0.86 0.02 -1.57 -2.88 113.55 109.84 2km6 h SER 26 Ca 0.36 -0.12 0.08 0.00 -0.84 0.00 0.00 61.79 61.26 2km6 h SER 26 Cb 0.35 0.11 -0.08 0.00 0.14 0.00 0.00 62.40 62.92 2km6 h SER 26 CO -0.26 -0.09 -0.14 0.15 -1.14 0.00 0.00 176.83 175.35 2km6 h PHE 27 N -0.79 -0.33 -0.45 3.45 3.04 -0.81 0.26 116.94 121.32 2km6 h PHE 27 Ca -0.05 0.04 0.07 0.00 3.98 0.00 0.00 57.97 62.00 2km6 h PHE 27 Cb 0.52 0.20 -0.06 0.00 2.56 0.00 0.00 35.95 39.18 2km6 h PHE 27 CO 0.01 -0.22 0.12 0.87 -2.02 0.00 0.00 178.31 177.07 2km6 h LYS 28 N -0.06 0.26 0.02 1.11 1.57 -0.47 -0.97 116.57 118.03 2km6 h LYS 28 Ca 0.19 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2km6 h LYS 28 Cb 0.35 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2km6 h LYS 28 CO -0.42 0.17 -0.01 0.77 -0.57 0.00 0.00 179.45 179.39 2km6 h SER 29 N 0.27 -0.03 -0.59 0.86 0.02 -1.07 -2.61 113.55 110.40 2km6 h SER 29 Ca 0.22 -0.33 0.05 0.00 -0.84 0.00 0.00 61.79 60.88 2km6 h SER 29 Cb 0.25 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 2km6 h SER 29 CO -0.26 0.32 0.39 -0.07 -1.14 0.00 0.00 176.83 176.07 2km6 h LEU 30 N -0.37 0.55 -0.04 5.07 3.38 -0.31 0.13 115.31 123.71 2km6 h LEU 30 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2km6 h LEU 30 Cb 0.35 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2km6 h LEU 30 CO 0.01 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.90 2km6 n LEU 31 N -4.47 0.48 -0.43 1.67 -0.00 -0.39 -2.09 117.00 111.77 2km6 n LEU 31 Ca 0.08 0.55 0.11 0.00 -0.00 0.00 0.00 56.01 56.75 2km6 n LEU 31 Cb 0.18 -0.41 0.09 0.00 -0.00 0.00 0.00 43.42 43.28 2km6 n LEU 31 CO 0.34 -0.14 0.38 1.87 -0.00 0.00 0.00 177.39 179.85 2km6 n TRP 32 N -1.96 0.00 -0.00 1.47 -0.00 0.28 -4.20 117.44 113.03 2km6 n TRP 32 Ca 0.06 0.00 -0.16 0.00 -0.00 0.00 0.00 57.50 57.40 2km6 n TRP 32 Cb 0.38 -0.03 -0.14 0.00 -0.00 0.00 0.00 31.31 31.52 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 -0.19 1.12 -1.70 5.87 0.00 -0.26 -4.89 120.51 120.47 2km6 n ALA 33 Ca 0.10 -0.65 -0.33 0.00 0.00 0.00 0.00 53.44 52.56 2km6 n ALA 33 Cb 0.44 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.58 2.98 -0.32 0.00 -0.12 -1.16 -4.92 117.98 111.87 2km6 s PHE 34 Ca -0.15 1.52 -0.28 0.00 -0.05 0.00 0.00 56.93 57.98 2km6 s PHE 34 Cb 0.07 -3.03 -0.04 0.00 -0.63 0.00 0.00 43.02 39.39 2km6 s PHE 34 CO 0.79 -1.07 2.14 -1.25 -0.05 0.00 0.00 175.22 175.79 2km6 s PRO 35 N -3.88 2.95 0.23 1.99 0.04 -1.26 -4.92 135.00 130.15 2km6 s PRO 35 Ca 0.65 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 63.09 2km6 s PRO 35 Cb -0.16 -4.38 -0.09 0.00 0.04 0.00 0.00 34.50 29.91 2km6 s PRO 35 CO 0.33 -2.31 1.21 -0.51 0.04 0.00 0.00 177.00 175.76 2km6 s LEU 36 N 8.78 4.47 0.91 -3.56 1.43 -1.26 -5.02 118.68 124.42 2km6 s LEU 36 Ca 0.94 2.34 -0.14 0.00 -1.03 0.00 0.00 54.13 56.24 2km6 s LEU 36 Cb -0.27 -3.62 0.14 0.00 0.03 0.00 0.00 46.19 42.48 2km6 s LEU 36 CO 0.32 -0.36 1.20 -1.61 0.23 0.00 0.00 176.35 176.13 2km6 s GLU 37 N -0.76 1.16 0.18 1.70 2.02 -1.26 -4.64 118.70 117.11 2km6 s GLU 37 Ca 0.51 0.00 -0.18 0.00 0.02 0.00 0.00 54.97 55.32 2km6 s GLU 37 Cb -0.34 -1.87 0.14 0.00 0.10 0.00 0.00 34.13 32.16 2km6 s GLU 37 CO 0.40 -2.13 1.62 0.22 0.02 0.00 0.00 175.26 175.40 2km6 h ASP 38 N -1.44 -0.77 1.43 -0.19 3.58 -2.00 0.47 116.42 117.50 2km6 h ASP 38 Ca -0.47 0.18 -0.04 0.00 0.42 0.00 0.00 57.03 57.13 2km6 h ASP 38 Cb 1.30 0.42 -0.01 0.00 1.72 0.00 0.00 39.33 42.76 2km6 h ASP 38 CO 0.55 -0.25 -0.17 1.62 -2.88 0.00 0.00 179.24 178.11 2km6 h VAL 39 N -0.11 0.34 0.00 2.25 3.04 -1.93 -3.17 116.25 116.67 2km6 h VAL 39 Ca 0.23 -1.21 -0.13 0.00 -1.01 0.00 0.00 66.70 64.57 2km6 h VAL 39 Cb 0.47 1.94 -0.02 0.00 -2.01 0.00 0.00 31.29 31.67 2km6 h VAL 39 CO -0.56 0.17 -0.88 -0.07 -1.01 0.00 0.00 177.57 175.21 2km6 h LEU 40 N 0.00 0.00 -0.77 3.16 3.38 -1.34 -3.13 115.31 116.60 2km6 h LEU 40 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2km6 h LEU 40 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2km6 h LEU 40 CO 0.02 0.54 0.00 -0.61 0.09 0.00 0.00 178.44 178.49 2km6 h GLN 41 N 0.00 0.00 -0.14 1.13 4.15 -0.97 -2.80 115.11 116.48 2km6 h GLN 41 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2km6 h GLN 41 Cb 1.47 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.16 2km6 h GLN 41 CO 0.06 0.00 0.00 0.36 -1.93 0.00 0.00 178.83 177.32 2km6 n LYS 42 N -2.81 2.06 -1.68 1.69 -0.00 -1.19 -4.97 118.16 111.27 2km6 n LYS 42 Ca 0.02 -1.89 -0.48 0.00 -0.00 0.00 0.00 58.31 55.96 2km6 n LYS 42 Cb 0.36 -1.42 -0.05 0.00 -0.00 0.00 0.00 35.03 33.92 2km6 n LYS 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2km6 n THR 43 N 1.22 0.38 -1.88 0.58 -1.04 -1.06 -4.83 114.28 107.65 2km6 n THR 43 Ca 0.14 -0.07 -0.22 0.00 -2.04 0.00 0.00 64.05 61.86 2km6 n THR 43 Cb 0.53 -1.71 -0.06 0.00 -1.82 0.00 0.00 70.33 67.28 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 3.02 2.22 0.44 -2.82 0.04 -1.26 -4.79 135.00 131.84 2km6 s PRO 44 Ca 0.89 -0.04 0.09 0.00 0.04 0.00 0.00 61.00 61.98 2km6 s PRO 44 Cb -0.72 -4.97 0.96 0.00 0.04 0.00 0.00 34.50 29.81 2km6 s PRO 44 CO 0.48 -3.77 2.08 2.35 0.04 0.00 0.00 177.00 178.18 2km6 h TRP 45 N 11.74 0.40 0.00 0.56 2.91 -1.98 -0.90 115.95 128.68 2km6 h TRP 45 Ca 0.07 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.09 2km6 h TRP 45 Cb 1.00 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 29.52 2km6 h TRP 45 CO 1.20 0.25 -0.01 0.77 -1.03 0.00 0.00 178.44 179.62 2km6 h SER 46 N 0.43 0.00 0.35 2.65 0.02 -2.00 0.25 113.55 115.25 2km6 h SER 46 Ca 0.12 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.75 2km6 h SER 46 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2km6 h SER 46 CO -0.03 0.01 -1.62 -0.33 -1.14 0.00 0.00 176.83 173.72 2km6 h GLU 47 N 0.00 0.31 0.00 3.45 5.08 -1.59 -3.32 114.58 118.52 2km6 h GLU 47 Ca -0.00 -0.53 -0.06 0.00 -1.00 0.00 0.00 59.36 57.77 2km6 h GLU 47 Cb 0.02 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2km6 h GLU 47 CO 0.00 1.19 -0.31 -0.39 -1.00 0.00 0.00 179.01 178.51 2km6 h VAL 48 N 0.08 1.08 0.03 3.13 -1.51 -0.53 -2.23 116.25 116.30 2km6 h VAL 48 Ca -0.28 -1.10 -0.00 0.00 -1.23 0.00 0.00 66.70 64.08 2km6 h VAL 48 Cb 2.05 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 32.83 2km6 h VAL 48 CO 0.17 0.30 -0.01 -0.08 -1.23 0.00 0.00 177.57 176.72 2km6 h GLU 49 N 0.00 -0.03 0.00 5.19 4.22 -0.66 -3.11 114.58 120.18 2km6 h GLU 49 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2km6 h GLU 49 Cb 0.59 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2km6 h GLU 49 CO 0.04 0.32 0.00 0.93 -2.18 0.00 0.00 179.01 178.12 2km6 h GLU 50 N -0.39 0.00 -6.94 1.92 5.08 -1.62 -3.44 114.58 109.19 2km6 h GLU 50 Ca -0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 2km6 h GLU 50 Cb 0.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2km6 h GLU 50 CO 0.01 0.00 0.26 0.00 -1.00 0.00 0.00 179.01 178.28 2km6 s ALA 51 N -3.21 3.14 0.03 3.43 0.00 -0.85 -5.07 121.76 119.24 2km6 s ALA 51 Ca 0.08 0.29 -0.00 0.00 0.00 0.00 0.00 51.96 52.33 2km6 s ALA 51 Cb 0.08 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 2km6 s ALA 51 CO 0.62 0.20 -0.03 0.16 0.00 0.00 0.00 175.76 176.71 2km6 s ASP 52 N -2.17 0.36 0.58 0.00 1.47 -1.26 -4.70 116.67 110.94 2km6 s ASP 52 Ca 0.59 -0.69 0.00 0.00 1.18 0.00 0.00 52.55 53.63 2km6 s ASP 52 Cb -0.10 0.13 0.00 0.00 -0.34 0.00 0.00 42.92 42.61 2km6 s ASP 52 CO 0.15 -0.41 0.00 0.61 0.68 0.00 0.00 175.17 176.20 2km6 n GLY 53 N 1.03 1.47 0.36 2.12 0.00 -1.19 -0.69 105.19 108.29 2km6 n GLY 53 Ca -0.20 0.59 -0.02 0.00 0.00 0.00 0.00 46.02 46.38 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 1.15 -0.55 1.61 3.64 -1.84 -2.13 116.57 118.44 2km6 h LYS 54 Ca 0.00 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.16 2km6 h LYS 54 Cb 0.00 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 2km6 h LYS 54 CO 0.00 0.81 -0.10 0.87 -2.27 0.00 0.00 179.45 178.76 2km6 h LYS 55 N 1.16 1.04 -0.54 1.90 1.79 -1.29 -2.36 116.57 118.26 2km6 h LYS 55 Ca 0.30 -0.38 -0.08 0.00 -2.18 0.00 0.00 60.65 58.31 2km6 h LYS 55 Cb -0.03 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 2km6 h LYS 55 CO -0.05 1.07 0.02 1.25 -1.08 0.00 0.00 179.45 180.66 2km6 h LEU 56 N 0.92 0.92 -1.21 2.94 5.85 -1.35 -2.48 115.31 120.89 2km6 h LEU 56 Ca 0.14 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.63 2km6 h LEU 56 Cb 0.68 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 2km6 h LEU 56 CO 0.05 0.99 0.56 0.00 -0.34 0.00 0.00 178.44 179.69 2km6 h ALA 57 N 0.96 1.56 0.00 1.25 0.00 -1.18 0.06 119.26 121.91 2km6 h ALA 57 Ca 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2km6 h ALA 57 Cb 0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2km6 h ALA 57 CO 0.02 0.31 -0.23 1.49 0.00 0.00 0.00 179.25 180.85 2km6 h GLU 58 N 0.96 0.00 0.11 0.00 4.81 -0.98 0.44 114.58 119.91 2km6 h GLU 58 Ca 0.36 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.27 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 -0.13 0.23 -1.68 0.82 -0.73 0.00 0.00 179.01 177.52 2km6 h ILE 59 N 0.00 0.97 -0.55 2.32 2.04 -0.83 -3.27 117.51 118.20 2km6 h ILE 59 Ca -0.00 -2.66 -0.07 0.00 1.00 0.00 0.00 64.86 63.13 2km6 h ILE 59 Cb 0.48 2.66 -0.02 0.00 -0.74 0.00 0.00 36.82 39.19 2km6 h ILE 59 CO 0.03 0.79 0.07 -0.07 0.00 0.00 0.00 178.15 178.97 2km6 h LEU 60 N 0.06 0.86 0.00 1.44 -0.00 -0.62 -2.30 115.31 114.75 2km6 h LEU 60 Ca -0.30 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 2km6 h LEU 60 Cb 2.03 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 42.46 2km6 h LEU 60 CO 0.14 0.88 0.00 0.55 -0.00 0.00 0.00 178.44 180.01 2km6 n VAL 61 N -4.23 0.00 -0.06 1.22 3.14 0.11 -2.44 118.33 116.07 2km6 n VAL 61 Ca 0.03 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.34 2km6 n VAL 61 Cb 0.28 -0.59 -0.15 0.00 -1.06 0.00 0.00 33.84 32.32 2km6 n VAL 61 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2km6 n ASN 62 N -0.98 0.34 -0.10 6.55 5.15 -0.87 -4.59 115.26 120.76 2km6 n ASN 62 Ca 0.18 0.16 -0.21 0.00 -0.60 0.00 0.00 54.58 54.11 2km6 n ASN 62 Cb 0.08 0.65 -0.12 0.00 -0.53 0.00 0.00 39.78 39.87 2km6 n ASN 62 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2km6 n THR 63 N -2.83 1.57 -4.45 -0.44 -2.24 -1.02 -5.02 114.28 99.84 2km6 n THR 63 Ca -0.24 -0.52 -0.26 0.00 -2.27 0.00 0.00 64.05 60.75 2km6 n THR 63 Cb 1.07 -1.61 -0.10 0.00 -2.10 0.00 0.00 70.33 67.59 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 -6.83 3.98 0.60 3.42 0.01 -1.05 -4.87 113.70 108.97 2km6 s SER 64 Ca -0.32 -1.17 -0.15 0.00 1.31 0.00 0.00 55.95 55.62 2km6 s SER 64 Cb 0.09 -0.43 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 2km6 s SER 64 CO 0.62 -0.32 1.04 -0.55 0.41 0.00 0.00 173.24 174.45 2km6 s SER 65 N -3.70 5.88 0.38 2.44 0.15 -1.26 -4.66 113.70 112.92 2km6 s SER 65 Ca 0.35 1.74 0.06 0.00 0.70 0.00 0.00 55.95 58.80 2km6 s SER 65 Cb 0.04 -2.52 0.74 0.00 -1.71 0.00 0.00 66.02 62.57 2km6 s SER 65 CO 0.18 -1.10 1.96 1.05 1.20 0.00 0.00 173.24 176.54 2km6 h GLU 66 N 0.34 0.50 -0.12 5.44 9.09 -1.96 -0.70 114.58 127.16 2km6 h GLU 66 Ca -0.46 -0.07 0.02 0.00 0.05 0.00 0.00 59.36 58.89 2km6 h GLU 66 Cb 1.21 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 28.21 2km6 h GLU 66 CO 0.58 0.44 0.08 -0.97 0.05 0.00 0.00 179.01 179.20 2km6 h ASN 67 N 0.49 0.08 0.00 3.06 -0.73 -1.93 0.66 115.58 117.22 2km6 h ASN 67 Ca 0.12 -0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.24 2km6 h ASN 67 Cb 0.16 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.72 2km6 h ASN 67 CO -0.01 0.06 -0.29 -0.25 -0.37 0.00 0.00 177.43 176.58 2km6 h TRP 68 N 0.10 0.00 -0.63 0.67 7.01 -1.54 -3.34 115.95 118.22 2km6 h TRP 68 Ca 0.05 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.05 2km6 h TRP 68 Cb 0.09 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.12 2km6 h TRP 68 CO -0.00 0.90 0.40 0.82 -2.79 0.00 0.00 178.44 177.76 2km6 h ILE 69 N -1.00 1.17 -0.39 2.65 2.04 -0.92 0.14 117.51 121.20 2km6 h ILE 69 Ca -0.07 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.45 2km6 h ILE 69 Cb 0.89 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2km6 h ILE 69 CO -0.04 0.17 0.25 0.08 0.00 0.00 0.00 178.15 178.60 2km6 h ARG 70 N 0.85 0.52 0.05 2.37 0.11 -1.04 -0.97 114.38 116.27 2km6 h ARG 70 Ca 0.23 -0.03 -0.31 0.00 0.10 0.00 0.00 59.98 59.96 2km6 h ARG 70 Cb -0.07 -0.11 -0.04 0.00 1.11 0.00 0.00 29.97 30.86 2km6 h ARG 70 CO -0.05 0.35 -1.73 -0.97 0.10 0.00 0.00 179.97 177.68 2km6 h ASN 71 N 0.53 0.16 0.41 0.08 -1.24 -1.32 -3.31 115.58 110.89 2km6 h ASN 71 Ca 0.14 -0.32 -0.01 0.00 0.71 0.00 0.00 56.30 56.83 2km6 h ASN 71 Cb -0.04 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 2km6 h ASN 71 CO -0.03 1.28 -0.32 0.00 -1.29 0.00 0.00 177.43 177.07 2km6 h ALA 72 N 0.70 -0.73 -0.37 1.57 0.00 -0.09 -0.37 119.26 119.96 2km6 h ALA 72 Ca -0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2km6 h ALA 72 Cb 2.01 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 20.21 2km6 h ALA 72 CO 0.09 -0.94 0.17 0.00 0.00 0.00 0.00 179.25 178.57 2km6 h THR 73 N -0.72 1.13 0.12 0.00 1.03 -1.38 0.82 112.91 113.91 2km6 h THR 73 Ca -0.04 -0.39 -0.01 0.00 -0.01 0.00 0.00 66.41 65.97 2km6 h THR 73 Cb 0.63 0.68 0.00 0.00 -1.07 0.00 0.00 68.15 68.38 2km6 h THR 73 CO -0.01 0.16 -0.06 0.58 -0.01 0.00 0.00 175.52 176.18 2km6 h VAL 74 N 0.51 0.96 -0.51 0.00 2.07 -1.52 -0.56 116.25 117.19 2km6 h VAL 74 Ca 0.13 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 2km6 h VAL 74 Cb 0.07 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2km6 h VAL 74 CO -0.02 0.07 0.21 -1.13 0.02 0.00 0.00 177.57 176.73 2km6 h ASN 75 N -0.31 0.71 -0.40 0.57 -1.24 -0.24 0.24 115.58 114.90 2km6 h ASN 75 Ca -0.02 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 56.82 2km6 h ASN 75 Cb 0.25 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 2km6 h ASN 75 CO 0.03 0.68 0.21 0.40 -1.29 0.00 0.00 177.43 177.46 2km6 h ILE 76 N 0.69 1.16 -0.48 2.57 1.08 -0.83 0.06 117.51 121.76 2km6 h ILE 76 Ca 0.17 -0.42 -0.06 0.00 -0.39 0.00 0.00 64.86 64.16 2km6 h ILE 76 Cb 0.19 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 2km6 h ILE 76 CO -0.02 0.17 0.06 -0.07 -0.69 0.00 0.00 178.15 177.60 2km6 h LEU 77 N 0.51 0.73 -0.80 1.44 4.07 -0.74 -0.45 115.31 120.07 2km6 h LEU 77 Ca 0.14 -0.15 0.02 0.00 0.08 0.00 0.00 57.88 57.97 2km6 h LEU 77 Cb 0.07 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 41.58 2km6 h LEU 77 CO -0.02 0.76 0.52 -0.33 -1.08 0.00 0.00 178.44 178.29 2km6 h GLU 78 N 0.73 1.02 0.00 1.13 4.39 -0.08 0.16 114.58 121.93 2km6 h GLU 78 Ca 0.15 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 2km6 h GLU 78 Cb 0.37 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2km6 h GLU 78 CO 0.01 0.67 -0.13 0.93 -1.16 0.00 0.00 179.01 179.33 2km6 h GLU 79 N 1.05 0.00 -0.01 2.33 4.39 -0.05 -0.45 114.58 121.84 2km6 h GLU 79 Ca 0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.00 2km6 h GLU 79 Cb -0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2km6 h GLU 79 CO -0.08 0.13 -0.24 -1.33 -1.16 0.00 0.00 179.01 176.33 2km6 n MET 80 N -3.47 0.89 -2.45 2.33 2.81 -0.27 -4.92 117.12 112.05 2km6 n MET 80 Ca -0.01 -0.53 -0.16 0.00 -1.81 0.00 0.00 57.70 55.19 2km6 n MET 80 Cb 0.30 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 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 -0.60 -4.84 -4.52 7.83 5.15 -0.18 -4.97 115.26 113.14 2km6 n ASN 81 Ca 0.12 -0.07 -0.43 0.00 -0.60 0.00 0.00 54.58 53.61 2km6 n ASN 81 Cb 0.35 -3.89 -0.07 0.00 -0.53 0.00 0.00 39.78 35.64 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 -4.75 4.53 -0.06 1.20 1.43 0.45 -4.94 118.68 116.53 2km6 s LEU 82 Ca 0.06 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 2km6 s LEU 82 Cb -0.03 -2.66 -0.01 0.00 0.03 0.00 0.00 46.19 43.52 2km6 s LEU 82 CO 0.08 -0.70 -0.08 0.35 0.23 0.00 0.00 176.35 176.23 2km6 n THR 83 N 5.72 0.61 -0.15 5.49 -2.24 -1.26 -4.16 114.28 118.29 2km6 n THR 83 Ca -0.03 0.38 -0.04 0.00 -2.27 0.00 0.00 64.05 62.09 2km6 n THR 83 Cb 0.48 -1.88 -0.04 0.00 -2.10 0.00 0.00 70.33 66.79 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 -3.28 -0.16 0.14 -0.78 0.28 -1.26 -0.23 120.64 115.35 2km6 n GLU 84 Ca -0.03 0.93 0.01 0.00 -0.16 0.00 0.00 57.16 57.90 2km6 n GLU 84 Cb 0.12 -1.37 0.15 0.00 1.43 0.00 0.00 31.44 31.77 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 0.00 -0.32 -1.84 -0.00 -1.99 -1.81 115.31 109.36 2km6 h LEU 85 Ca 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.89 2km6 h LEU 85 Cb 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.80 2km6 h LEU 85 CO -0.35 0.59 0.02 0.00 -0.00 0.00 0.00 178.44 178.70 2km6 h LYS 87 N 0.35 0.45 -0.45 0.00 1.57 -0.44 -0.96 116.57 117.10 2km6 h LYS 87 Ca 0.09 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 2km6 h LYS 87 Cb 0.41 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2km6 h LYS 87 CO 0.01 0.54 -0.05 1.98 -0.57 0.00 0.00 179.45 181.36 2km6 h MET 88 N 0.42 0.83 -0.70 3.15 4.05 -0.82 -2.20 114.93 119.66 2km6 h MET 88 Ca 0.09 -0.29 0.05 0.00 -0.28 0.00 0.00 59.70 59.27 2km6 h MET 88 Cb 0.40 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.09 2km6 h MET 88 CO 0.02 0.91 0.40 0.00 0.23 0.00 0.00 176.91 178.47 2km6 h ALA 89 N 0.89 0.93 0.00 0.39 0.00 0.11 -0.01 119.26 121.57 2km6 h ALA 89 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2km6 h ALA 89 Cb 0.57 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2km6 h ALA 89 CO 0.03 0.11 0.00 0.87 0.00 0.00 0.00 179.25 180.26 2km6 h LYS 90 N 0.75 0.00 -0.02 0.00 1.57 -0.84 0.33 116.57 118.35 2km6 h LYS 90 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2km6 h LYS 90 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2km6 h LYS 90 CO -0.17 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.71 2km6 n ALA 91 N -2.01 2.47 0.00 3.86 0.00 -0.14 -4.35 120.51 120.33 2km6 n ALA 91 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2km6 n ALA 91 Cb 0.18 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 0.98 0.00 -0.02 0.00 1.02 -0.49 -4.79 120.64 117.34 2km6 n GLU 92 Ca 0.10 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.36 2km6 n GLU 92 Cb 0.43 -0.33 0.62 0.00 -0.02 0.00 0.00 31.44 32.15 2km6 n GLU 92 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2km6 n MET 93 N -2.77 1.28 -4.29 3.49 2.81 0.11 -4.77 117.12 112.97 2km6 n MET 93 Ca 0.00 -0.42 -0.25 0.00 -1.81 0.00 0.00 57.70 55.22 2km6 n MET 93 Cb 0.30 -1.41 -0.08 0.00 -0.71 0.00 0.00 33.22 31.32 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 -1.95 2.13 -0.21 0.03 -1.94 -1.24 -4.79 119.30 111.33 2km6 s MET 94 Ca 0.36 -1.87 0.15 0.00 -1.71 0.00 0.00 55.69 52.63 2km6 s MET 94 Cb 0.18 -1.90 0.80 0.00 2.01 0.00 0.00 34.83 35.92 2km6 s MET 94 CO 0.29 -0.02 1.72 -0.85 -0.01 0.00 0.00 175.02 176.15 2km6 n GLU 95 N -1.09 4.62 -2.12 2.03 0.00 -1.26 -4.87 120.64 117.94 2km6 n GLU 95 Ca -0.03 -3.11 -0.43 0.00 0.00 0.00 0.00 57.16 53.60 2km6 n GLU 95 Cb 0.64 -2.18 -0.03 0.00 0.00 0.00 0.00 31.44 29.88 2km6 n GLU 95 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2km6 s ASP 96 N -0.83 6.63 0.00 -1.84 2.15 -1.26 -4.78 116.67 116.73 2km6 s ASP 96 Ca 0.54 1.92 0.00 0.00 0.43 0.00 0.00 52.55 55.44 2km6 s ASP 96 Cb 0.40 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 2km6 s ASP 96 CO 0.18 -1.00 0.00 0.61 -0.17 0.00 0.00 175.17 174.79 2km6 n GLY 97 N 4.20 4.04 0.18 2.66 0.00 -1.26 -4.79 105.19 110.22 2km6 n GLY 97 Ca 0.17 -1.64 0.15 0.00 0.00 0.00 0.00 46.02 44.70 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26