#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 4.84 -0.01 2.03 -4.23 -1.26 -4.98 115.64 112.03 2km6 s THR 4 Ca 0.00 1.60 -0.25 0.00 -1.18 0.00 0.00 61.69 61.86 2km6 s THR 4 Cb 0.00 -4.13 -0.19 0.00 1.34 0.00 0.00 72.50 69.52 2km6 s THR 4 CO 0.00 -0.06 1.29 -1.28 -0.54 0.00 0.00 174.62 174.03 2km6 h SER 5 N 7.60 -0.07 -0.22 3.99 0.87 -1.99 -2.16 113.55 121.57 2km6 h SER 5 Ca -0.24 -0.37 -0.04 0.00 -1.23 0.00 0.00 61.79 59.91 2km6 h SER 5 Cb 1.10 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 2km6 h SER 5 CO 0.87 0.35 0.03 -0.65 -0.53 0.00 0.00 176.83 176.90 2km6 h PRO 6 N -0.50 0.48 0.01 2.24 0.11 -1.99 -0.45 132.00 131.90 2km6 h PRO 6 Ca -0.01 -0.09 -0.19 0.00 0.11 0.00 0.00 66.00 65.82 2km6 h PRO 6 Cb 0.44 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 2km6 h PRO 6 CO 0.01 0.48 -0.88 1.96 -0.21 0.00 0.00 178.00 179.37 2km6 h GLN 7 N 0.47 0.09 0.16 1.05 7.50 -1.98 0.30 115.11 122.69 2km6 h GLN 7 Ca 0.11 -0.11 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 2km6 h GLN 7 Cb 0.26 0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.82 2km6 h GLN 7 CO 0.00 0.91 -0.08 1.25 -1.50 0.00 0.00 178.83 179.42 2km6 h LEU 8 N 0.04 -0.18 -1.05 1.46 5.85 -0.66 0.17 115.31 120.95 2km6 h LEU 8 Ca -0.03 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2km6 h LEU 8 Cb 1.53 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.56 2km6 h LEU 8 CO 0.12 -0.03 0.59 -0.08 -0.34 0.00 0.00 178.44 178.70 2km6 h GLU 9 N -0.31 1.24 -0.25 1.25 4.81 -1.03 0.14 114.58 120.41 2km6 h GLU 9 Ca -0.02 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2km6 h GLU 9 Cb 0.25 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2km6 h GLU 9 CO 0.04 0.84 0.13 2.35 -0.73 0.00 0.00 179.01 181.63 2km6 h TRP 10 N 1.27 0.24 -0.78 0.92 7.01 -0.71 0.13 115.95 124.02 2km6 h TRP 10 Ca 0.34 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.31 2km6 h TRP 10 Cb -0.11 -0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 26.84 2km6 h TRP 10 CO 0.00 0.13 0.35 1.15 -2.79 0.00 0.00 178.44 177.28 2km6 h THR 11 N 0.27 1.25 0.41 2.65 2.02 0.60 0.10 112.91 120.22 2km6 h THR 11 Ca 0.10 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 2km6 h THR 11 Cb 0.02 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 2km6 h THR 11 CO -0.07 0.31 -0.41 -0.07 0.37 0.00 0.00 175.52 175.66 2km6 h LEU 12 N 1.11 -1.11 -0.74 2.58 3.38 -0.38 -1.72 115.31 118.43 2km6 h LEU 12 Ca 0.26 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 2km6 h LEU 12 Cb 0.16 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 2km6 h LEU 12 CO -0.03 -0.56 0.45 0.06 0.09 0.00 0.00 178.44 178.46 2km6 h GLN 13 N -0.83 1.00 -0.88 1.13 3.07 -0.39 0.49 115.11 118.70 2km6 h GLN 13 Ca -0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 58.65 58.61 2km6 h GLN 13 Cb 0.74 -0.21 -0.04 0.00 0.08 0.00 0.00 27.48 28.05 2km6 h GLN 13 CO -0.07 0.70 0.51 1.15 0.09 0.00 0.00 178.83 181.22 2km6 h THR 14 N 1.01 1.25 -0.07 1.86 2.02 -0.64 0.15 112.91 118.50 2km6 h THR 14 Ca 0.27 -0.57 -0.19 0.00 0.77 0.00 0.00 66.41 66.69 2km6 h THR 14 Cb -0.05 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.41 2km6 h THR 14 CO -0.05 0.27 -0.69 -0.07 0.37 0.00 0.00 175.52 175.34 2km6 h LEU 15 N 1.22 0.73 0.00 2.58 3.38 -0.87 -3.15 115.31 119.19 2km6 h LEU 15 Ca 0.31 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2km6 h LEU 15 Cb -0.02 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.51 2km6 h LEU 15 CO -0.06 1.31 0.00 0.18 0.09 0.00 0.00 178.44 179.96 2km6 n LEU 16 N -4.09 0.00 -0.39 1.67 4.77 0.13 -1.17 117.00 117.91 2km6 n LEU 16 Ca -0.09 0.34 0.12 0.00 -0.03 0.00 0.00 56.01 56.35 2km6 n LEU 16 Cb 0.71 -0.34 0.27 0.00 -2.33 0.00 0.00 43.42 41.73 2km6 n LEU 16 CO 0.50 -0.06 0.58 -0.62 -1.33 0.00 0.00 177.39 176.46 2km6 n GLU 17 N -1.34 1.14 -0.13 3.23 1.02 0.50 -3.76 120.64 121.31 2km6 n GLU 17 Ca 0.10 -0.79 -0.28 0.00 -0.02 0.00 0.00 57.16 56.18 2km6 n GLU 17 Cb 0.22 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.05 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 -0.24 0.59 -3.63 3.49 6.02 -0.32 -4.85 117.38 118.44 2km6 n GLN 18 Ca 0.12 0.32 -0.38 0.00 -0.01 0.00 0.00 57.00 57.06 2km6 n GLN 18 Cb 0.40 -1.55 -0.11 0.00 1.02 0.00 0.00 30.24 30.00 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 -7.53 3.89 0.07 1.08 0.05 -0.58 -4.85 118.68 110.81 2km6 s LEU 19 Ca -0.36 -0.05 0.00 0.00 0.05 0.00 0.00 54.13 53.77 2km6 s LEU 19 Cb 0.13 -2.07 0.00 0.00 -2.05 0.00 0.00 46.19 42.19 2km6 s LEU 19 CO 0.52 -0.04 0.00 -0.46 -0.55 0.00 0.00 176.35 175.82 2km6 n ASN 20 N 4.98 -0.65 -0.02 1.48 0.23 -1.26 -4.44 115.26 115.58 2km6 n ASN 20 Ca -0.15 0.16 -0.01 0.00 -0.53 0.00 0.00 54.58 54.06 2km6 n ASN 20 Cb 0.52 0.92 -0.00 0.00 -2.08 0.00 0.00 39.78 39.13 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 -2.46 -0.02 0.00 -3.83 2.13 -1.26 -0.16 120.64 115.04 2km6 n GLU 21 Ca 0.00 0.68 0.05 0.00 0.66 0.00 0.00 57.16 58.54 2km6 n GLU 21 Cb 0.00 -1.01 0.02 0.00 0.27 0.00 0.00 31.44 30.72 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 -2.82 1.48 0.05 4.31 2.03 -1.26 -4.62 116.55 115.73 2km6 n ASP 22 Ca 0.00 -1.24 -0.19 0.00 0.52 0.00 0.00 54.79 53.88 2km6 n ASP 22 Cb 0.01 0.24 -0.14 0.00 -0.72 0.00 0.00 41.12 40.51 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 1.46 0.28 0.00 -0.67 4.39 -1.70 -3.27 114.58 115.08 2km6 h GLU 23 Ca 0.00 -0.49 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 2km6 h GLU 23 Cb 0.36 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2km6 h GLU 23 CO 0.00 1.15 -0.09 1.25 -1.16 0.00 0.00 179.01 180.16 2km6 h LEU 24 N 0.08 0.00 -1.14 1.33 5.85 -0.81 -2.26 115.31 118.36 2km6 h LEU 24 Ca -0.31 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.50 2km6 h LEU 24 Cb 2.05 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 43.01 2km6 h LEU 24 CO 0.15 0.09 0.60 0.11 -0.34 0.00 0.00 178.44 179.05 2km6 h LYS 25 N 0.00 0.96 0.13 1.25 1.57 -1.74 0.15 116.57 118.89 2km6 h LYS 25 Ca -0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2km6 h LYS 25 Cb 0.63 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2km6 h LYS 25 CO 0.01 0.63 -0.06 0.77 -0.57 0.00 0.00 179.45 180.23 2km6 h SER 26 N 0.99 -0.15 -0.40 0.86 0.02 -1.59 -3.22 113.55 110.06 2km6 h SER 26 Ca 0.41 -0.40 0.08 0.00 -0.84 0.00 0.00 61.79 61.05 2km6 h SER 26 Cb 0.30 0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.80 2km6 h SER 26 CO -0.17 0.40 -0.13 0.15 -1.14 0.00 0.00 176.83 175.93 2km6 h PHE 27 N -0.78 -0.31 -0.64 3.45 3.04 -1.21 0.89 116.94 121.37 2km6 h PHE 27 Ca -0.02 0.04 0.05 0.00 3.98 0.00 0.00 57.97 62.02 2km6 h PHE 27 Cb 0.54 0.20 -0.05 0.00 2.56 0.00 0.00 35.95 39.20 2km6 h PHE 27 CO 0.09 -0.21 0.36 0.87 -2.02 0.00 0.00 178.31 177.40 2km6 h LYS 28 N -0.05 0.65 -0.02 1.11 1.57 -0.86 -2.04 116.57 116.93 2km6 h LYS 28 Ca 0.19 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2km6 h LYS 28 Cb 0.34 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2km6 h LYS 28 CO -0.44 0.43 -0.01 0.77 -0.57 0.00 0.00 179.45 179.64 2km6 h SER 29 N 0.67 0.04 -0.72 0.86 0.02 -1.30 -2.80 113.55 110.32 2km6 h SER 29 Ca 0.28 -0.38 0.08 0.00 -0.84 0.00 0.00 61.79 60.93 2km6 h SER 29 Cb 0.16 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.64 2km6 h SER 29 CO -0.17 0.41 0.47 -0.07 -1.14 0.00 0.00 176.83 176.33 2km6 h LEU 30 N -0.33 0.61 -1.57 5.07 3.38 -0.68 0.22 115.31 122.01 2km6 h LEU 30 Ca 0.01 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2km6 h LEU 30 Cb 0.40 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2km6 h LEU 30 CO 0.00 0.39 -0.22 0.25 0.09 0.00 0.00 178.44 178.95 2km6 h LEU 31 N 0.69 0.00 0.00 1.67 5.85 -1.28 -1.93 115.31 120.31 2km6 h LEU 31 Ca 0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2km6 h LEU 31 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2km6 h LEU 31 CO -0.11 0.22 -0.71 1.87 -0.34 0.00 0.00 178.44 179.37 2km6 n TRP 32 N -3.85 0.00 0.01 1.25 -0.00 0.55 -4.04 117.44 111.36 2km6 n TRP 32 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.44 2km6 n TRP 32 Cb 0.31 -0.15 -0.11 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 3.00 0.70 -2.35 5.87 0.00 -0.20 -3.46 119.26 122.82 2km6 h ALA 33 Ca 0.00 -1.16 -0.49 0.00 0.00 0.00 0.00 54.91 53.27 2km6 h ALA 33 Cb 0.50 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2km6 h ALA 33 CO 0.00 1.28 0.18 -0.59 0.00 0.00 0.00 179.25 180.12 2km6 s PHE 34 N -2.74 3.49 -0.18 0.00 -0.12 -0.90 -4.97 117.98 112.55 2km6 s PHE 34 Ca -0.03 1.42 -0.29 0.00 -0.05 0.00 0.00 56.93 57.98 2km6 s PHE 34 Cb 0.08 -2.68 -0.05 0.00 -0.63 0.00 0.00 43.02 39.75 2km6 s PHE 34 CO 0.82 0.14 1.96 -1.25 -0.05 0.00 0.00 175.22 176.84 2km6 s PRO 35 N -2.59 3.54 0.22 1.99 0.04 -1.26 -4.89 135.00 132.04 2km6 s PRO 35 Ca 0.52 1.98 -0.32 0.00 0.04 0.00 0.00 61.00 63.22 2km6 s PRO 35 Cb -0.13 -4.22 -0.12 0.00 0.04 0.00 0.00 34.50 30.06 2km6 s PRO 35 CO 0.18 -1.63 1.66 1.28 0.04 0.00 0.00 177.00 178.54 2km6 n LEU 36 N 9.82 3.87 0.00 -3.56 4.77 -1.26 -4.99 117.00 125.66 2km6 n LEU 36 Ca 0.24 1.08 -0.01 0.00 -0.03 0.00 0.00 56.01 57.29 2km6 n LEU 36 Cb 0.44 -1.55 0.01 0.00 -2.33 0.00 0.00 43.42 40.00 2km6 n LEU 36 CO 0.66 0.07 0.04 -0.62 -1.33 0.00 0.00 177.39 176.21 2km6 n GLU 37 N 3.47 0.26 -1.73 3.23 1.02 -1.26 -4.95 120.64 120.68 2km6 n GLU 37 Ca 0.15 -0.13 -0.37 0.00 -0.02 0.00 0.00 57.16 56.78 2km6 n GLU 37 Cb 0.34 -0.06 0.06 0.00 -0.02 0.00 0.00 31.44 31.76 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 -3.02 2.26 0.00 1.62 2.03 -1.26 -2.76 116.55 115.42 2km6 n ASP 38 Ca 0.01 0.87 0.00 0.00 0.52 0.00 0.00 54.79 56.19 2km6 n ASP 38 Cb 0.03 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 38.87 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 -1.65 0.00 0.32 5.18 0.31 -1.26 -4.81 118.33 116.42 2km6 n VAL 39 Ca 0.14 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.68 2km6 n VAL 39 Cb 0.47 0.00 1.05 0.00 -0.91 0.00 0.00 33.84 34.45 2km6 n VAL 39 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2km6 h LEU 40 N 0.00 0.00 -7.93 7.52 3.38 -1.86 -3.36 115.31 113.05 2km6 h LEU 40 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 2km6 h LEU 40 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 2km6 h LEU 40 CO 0.00 0.01 1.59 -1.10 0.09 0.00 0.00 178.44 179.03 2km6 s GLN 41 N -4.09 3.19 0.00 1.13 -1.52 -1.26 -1.57 119.66 115.54 2km6 s GLN 41 Ca -0.04 -1.53 0.00 0.00 -1.95 0.00 0.00 55.36 51.84 2km6 s GLN 41 Cb 0.12 -5.38 0.00 0.00 -0.22 0.00 0.00 33.01 27.54 2km6 s GLN 41 CO 0.46 -3.17 0.00 0.36 -0.25 0.00 0.00 175.29 172.70 2km6 n LYS 42 N 8.35 0.00 -1.48 2.91 2.85 -1.26 -5.13 118.16 124.41 2km6 n LYS 42 Ca 0.46 0.00 -0.53 0.00 -1.05 0.00 0.00 58.31 57.19 2km6 n LYS 42 Cb 0.46 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.77 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 0.20 -2.53 0.58 -1.04 -0.61 -4.89 114.28 105.99 2km6 n THR 43 Ca 0.00 -0.18 -0.43 0.00 -2.04 0.00 0.00 64.05 61.40 2km6 n THR 43 Cb 0.00 -1.42 -0.02 0.00 -1.82 0.00 0.00 70.33 67.07 2km6 n THR 43 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2km6 s PRO 44 N 5.61 3.60 0.49 -2.82 0.04 -1.26 -4.89 135.00 135.78 2km6 s PRO 44 Ca 1.08 0.54 0.27 0.00 0.04 0.00 0.00 61.00 62.93 2km6 s PRO 44 Cb -0.98 -3.98 1.26 0.00 0.04 0.00 0.00 34.50 30.84 2km6 s PRO 44 CO 0.55 -1.54 1.98 2.35 0.04 0.00 0.00 177.00 180.37 2km6 h TRP 45 N 9.74 0.00 -0.36 0.56 2.91 -1.99 -2.04 115.95 124.78 2km6 h TRP 45 Ca -0.25 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.76 2km6 h TRP 45 Cb 1.07 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.70 2km6 h TRP 45 CO 1.00 0.16 0.16 1.03 -1.03 0.00 0.00 178.44 179.75 2km6 h SER 46 N 0.00 0.45 -0.00 2.65 0.87 -1.99 0.37 113.55 115.90 2km6 h SER 46 Ca -0.00 -0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.42 2km6 h SER 46 Cb 0.50 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2km6 h SER 46 CO 0.02 0.40 -0.39 -0.33 -0.53 0.00 0.00 176.83 176.01 2km6 h GLU 47 N 0.51 0.27 -0.57 2.24 4.39 -1.80 -3.21 114.58 116.41 2km6 h GLU 47 Ca 0.13 -0.28 0.08 0.00 0.34 0.00 0.00 59.36 59.62 2km6 h GLU 47 Cb 0.09 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.75 2km6 h GLU 47 CO -0.02 0.99 0.22 0.28 -1.16 0.00 0.00 179.01 179.32 2km6 h VAL 48 N -0.34 0.81 -0.23 3.13 2.07 -0.87 -1.17 116.25 119.64 2km6 h VAL 48 Ca -0.05 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.38 2km6 h VAL 48 Cb 1.13 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 2km6 h VAL 48 CO 0.08 0.07 -0.09 -0.33 0.02 0.00 0.00 177.57 177.32 2km6 h GLU 49 N 0.41 -0.04 -0.01 1.57 5.08 -0.38 -2.60 114.58 118.60 2km6 h GLU 49 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2km6 h GLU 49 Cb 0.32 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2km6 h GLU 49 CO -0.27 -0.03 -0.02 0.39 -1.00 0.00 0.00 179.01 178.08 2km6 n GLU 50 N -5.25 1.52 -3.90 2.33 1.02 -0.94 -4.87 120.64 110.56 2km6 n GLU 50 Ca -0.01 -0.83 -0.29 0.00 -0.02 0.00 0.00 57.16 56.00 2km6 n GLU 50 Cb 0.17 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.05 3.97 0.02 0.62 0.00 -0.49 -5.08 121.76 118.75 2km6 s ALA 51 Ca 0.38 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.44 2km6 s ALA 51 Cb 0.21 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 2km6 s ALA 51 CO 0.36 0.72 0.02 0.16 0.00 0.00 0.00 175.76 177.01 2km6 s ASP 52 N -2.74 0.20 0.47 0.00 -4.77 -1.26 -4.76 116.67 103.81 2km6 s ASP 52 Ca 0.35 -0.47 0.00 0.00 -3.30 0.00 0.00 52.55 49.13 2km6 s ASP 52 Cb -0.12 0.14 0.00 0.00 -1.09 0.00 0.00 42.92 41.85 2km6 s ASP 52 CO 0.28 -0.35 0.00 0.61 0.70 0.00 0.00 175.17 176.41 2km6 n GLY 53 N 1.39 1.30 0.38 2.12 0.00 -1.25 -0.65 105.19 108.48 2km6 n GLY 53 Ca -0.23 0.64 -0.02 0.00 0.00 0.00 0.00 46.02 46.41 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 1.32 -0.55 1.61 3.64 -1.81 -1.35 116.57 119.43 2km6 h LYS 54 Ca 0.00 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 2km6 h LYS 54 Cb 0.00 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 31.50 2km6 h LYS 54 CO 0.00 0.88 0.14 0.87 -2.27 0.00 0.00 179.45 179.07 2km6 h LYS 55 N 1.36 0.85 -0.15 1.90 1.79 -1.28 -1.46 116.57 119.58 2km6 h LYS 55 Ca 0.36 -0.17 -0.15 0.00 -2.18 0.00 0.00 60.65 58.51 2km6 h LYS 55 Cb -0.14 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.38 2km6 h LYS 55 CO -0.08 0.76 -0.54 1.25 -1.08 0.00 0.00 179.45 179.76 2km6 h LEU 56 N 0.82 0.49 -1.33 2.94 5.85 -1.25 -2.42 115.31 120.40 2km6 h LEU 56 Ca 0.18 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.67 2km6 h LEU 56 Cb 0.29 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2km6 h LEU 56 CO -0.00 0.93 0.47 0.00 -0.34 0.00 0.00 178.44 179.50 2km6 h ALA 57 N 1.08 1.57 0.00 1.25 0.00 -0.69 0.21 119.26 122.67 2km6 h ALA 57 Ca 0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2km6 h ALA 57 Cb 1.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2km6 h ALA 57 CO 0.10 0.37 -0.31 1.49 0.00 0.00 0.00 179.25 180.89 2km6 h GLU 58 N 0.88 0.00 0.00 0.00 4.81 -0.82 -2.11 114.58 117.34 2km6 h GLU 58 Ca 0.28 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.38 2km6 h GLU 58 Cb 0.01 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2km6 h GLU 58 CO -0.07 0.31 -0.82 0.82 -0.73 0.00 0.00 179.01 178.52 2km6 h ILE 59 N 0.00 0.77 -0.60 2.32 2.04 -0.59 -2.68 117.51 118.76 2km6 h ILE 59 Ca -0.00 -2.18 -0.10 0.00 1.00 0.00 0.00 64.86 63.58 2km6 h ILE 59 Cb 0.68 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 39.04 2km6 h ILE 59 CO 0.04 0.44 -0.01 -0.07 0.00 0.00 0.00 178.15 178.55 2km6 h LEU 60 N 0.00 1.05 -0.04 1.44 -0.00 -0.54 -2.51 115.31 114.70 2km6 h LEU 60 Ca -0.06 -0.31 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 2km6 h LEU 60 Cb 1.46 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 2km6 h LEU 60 CO 0.06 1.10 -0.03 1.33 -0.00 0.00 0.00 178.44 180.90 2km6 n VAL 61 N -4.19 0.00 0.15 1.22 0.24 -0.97 -2.68 118.33 112.10 2km6 n VAL 61 Ca 0.03 -0.01 -0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2km6 n VAL 61 Cb 0.35 -0.42 0.23 0.00 -1.47 0.00 0.00 33.84 32.53 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 0.10 0.01 0.00 -1.34 -0.73 -1.09 -3.41 115.58 109.12 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 0.29 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.88 2km6 h ASN 62 CO 0.00 0.55 0.00 0.35 -0.37 0.00 0.00 177.43 177.96 2km6 n THR 63 N -3.90 0.00 -2.16 -3.57 -2.24 -1.18 -5.04 114.28 96.19 2km6 n THR 63 Ca -0.01 0.15 -0.31 0.00 -2.27 0.00 0.00 64.05 61.61 2km6 n THR 63 Cb 0.55 -1.11 -0.01 0.00 -2.10 0.00 0.00 70.33 67.67 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 -3.99 6.36 0.54 3.42 0.01 -1.09 -4.90 113.70 114.04 2km6 s SER 64 Ca 0.00 1.39 -0.15 0.00 1.31 0.00 0.00 55.95 58.50 2km6 s SER 64 Cb 0.00 -2.45 -0.07 0.00 0.21 0.00 0.00 66.02 63.71 2km6 s SER 64 CO 0.00 -0.73 0.99 -0.44 0.41 0.00 0.00 173.24 173.47 2km6 s SER 65 N -3.80 6.54 0.52 2.44 0.01 -1.26 -4.57 113.70 113.57 2km6 s SER 65 Ca 0.55 1.53 0.17 0.00 1.31 0.00 0.00 55.95 59.50 2km6 s SER 65 Cb -0.11 -2.50 1.26 0.00 0.21 0.00 0.00 66.02 64.89 2km6 s SER 65 CO 0.45 -0.64 2.13 1.05 0.41 0.00 0.00 173.24 176.63 2km6 h GLU 66 N 0.65 0.03 0.00 12.44 -0.00 -1.96 0.40 114.58 126.14 2km6 h GLU 66 Ca -0.46 -0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 58.85 2km6 h GLU 66 Cb 1.19 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.92 2km6 h GLU 66 CO 0.62 0.02 -0.23 -0.97 -0.00 0.00 0.00 179.01 178.44 2km6 h ASN 67 N 0.03 0.00 0.28 3.06 -1.24 -1.95 -2.09 115.58 113.67 2km6 h ASN 67 Ca 0.04 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.72 2km6 h ASN 67 Cb 0.11 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.12 2km6 h ASN 67 CO -0.00 0.23 -1.97 1.87 -1.29 0.00 0.00 177.43 176.27 2km6 n TRP 68 N -3.62 0.78 0.18 0.67 -0.00 0.01 -4.10 117.44 111.36 2km6 n TRP 68 Ca -0.01 0.24 0.06 0.00 -0.00 0.00 0.00 57.50 57.79 2km6 n TRP 68 Cb 0.36 -1.13 0.55 0.00 -0.00 0.00 0.00 31.31 31.09 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 0.02 1.06 0.00 5.87 2.04 -0.85 0.14 117.51 125.79 2km6 h ILE 69 Ca -0.39 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.27 2km6 h ILE 69 Cb 2.06 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 2km6 h ILE 69 CO 0.06 0.07 0.00 0.08 0.00 0.00 0.00 178.15 178.36 2km6 h ARG 70 N 0.16 0.00 0.01 2.37 0.11 -1.54 -2.37 114.38 113.11 2km6 h ARG 70 Ca 0.04 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.81 2km6 h ARG 70 Cb 0.06 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.10 2km6 h ARG 70 CO -0.00 0.00 -1.70 -1.71 0.10 0.00 0.00 179.97 176.66 2km6 n ASN 71 N -2.52 1.90 0.00 0.08 5.15 0.39 -4.20 115.26 116.07 2km6 n ASN 71 Ca 0.00 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.36 2km6 n ASN 71 Cb 0.16 -0.91 0.00 0.00 -0.53 0.00 0.00 39.78 38.50 2km6 n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2km6 n ALA 72 N -3.64 -0.16 -0.13 5.20 0.00 -0.51 -1.07 120.51 120.20 2km6 n ALA 72 Ca -0.39 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.01 2km6 n ALA 72 Cb 0.77 0.30 0.04 0.00 0.00 0.00 0.00 19.45 20.56 2km6 n ALA 72 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2km6 h THR 73 N 0.00 0.78 -0.60 0.00 2.02 -1.72 0.35 112.91 113.74 2km6 h THR 73 Ca 0.00 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.14 2km6 h THR 73 Cb 0.00 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 2km6 h THR 73 CO 0.00 0.04 0.35 0.58 0.37 0.00 0.00 175.52 176.86 2km6 h VAL 74 N 0.23 1.01 -0.63 3.16 2.07 -1.69 0.14 116.25 120.54 2km6 h VAL 74 Ca 0.21 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2km6 h VAL 74 Cb 0.26 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2km6 h VAL 74 CO -0.27 0.12 0.38 -1.13 0.02 0.00 0.00 177.57 176.69 2km6 h ASN 75 N 0.66 0.76 -0.19 0.57 -1.24 -0.27 0.80 115.58 116.69 2km6 h ASN 75 Ca 0.26 -0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.18 2km6 h ASN 75 Cb 0.10 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 2km6 h ASN 75 CO -0.14 0.61 0.04 0.40 -1.29 0.00 0.00 177.43 177.04 2km6 h ILE 76 N 0.86 1.22 -0.42 2.57 1.08 0.23 0.86 117.51 123.90 2km6 h ILE 76 Ca 0.23 -0.70 -0.08 0.00 -0.39 0.00 0.00 64.86 63.92 2km6 h ILE 76 Cb -0.02 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 2km6 h ILE 76 CO -0.04 0.22 -0.07 -0.07 -0.69 0.00 0.00 178.15 177.50 2km6 h LEU 77 N 0.11 0.70 -1.49 1.44 4.07 -0.57 0.25 115.31 119.82 2km6 h LEU 77 Ca 0.06 -0.19 -0.02 0.00 0.08 0.00 0.00 57.88 57.81 2km6 h LEU 77 Cb 0.29 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 2km6 h LEU 77 CO 0.00 0.81 -0.10 -0.33 -1.08 0.00 0.00 178.44 177.74 2km6 h GLU 78 N 0.66 0.00 0.00 1.13 5.08 -0.70 0.18 114.58 120.93 2km6 h GLU 78 Ca 0.12 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.33 2km6 h GLU 78 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2km6 h GLU 78 CO 0.03 0.10 -0.77 1.49 -1.00 0.00 0.00 179.01 178.86 2km6 h GLU 79 N 0.00 0.00 -0.00 2.33 4.57 0.43 -3.00 114.58 118.91 2km6 h GLU 79 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2km6 h GLU 79 Cb 0.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 2km6 h GLU 79 CO 0.01 0.69 -0.07 -1.33 -1.18 0.00 0.00 179.01 177.13 2km6 n MET 80 N -3.26 0.87 -1.94 1.92 2.81 -0.05 -4.89 117.12 112.59 2km6 n MET 80 Ca 0.00 -0.28 -0.17 0.00 -1.81 0.00 0.00 57.70 55.44 2km6 n MET 80 Cb 0.83 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.81 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 -4.99 -3.68 7.83 5.15 -0.53 -4.89 115.26 113.32 2km6 n ASN 81 Ca 0.17 0.18 -0.41 0.00 -0.60 0.00 0.00 54.58 53.92 2km6 n ASN 81 Cb 0.26 -4.04 -0.00 0.00 -0.53 0.00 0.00 39.78 35.47 2km6 n ASN 81 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2km6 n LEU 82 N -2.18 7.32 0.38 1.20 4.77 0.52 -4.76 117.00 124.26 2km6 n LEU 82 Ca -0.19 -4.75 -0.18 0.00 -0.03 0.00 0.00 56.01 50.87 2km6 n LEU 82 Cb 0.61 -1.43 -0.09 0.00 -2.33 0.00 0.00 43.42 40.18 2km6 n LEU 82 CO 0.24 1.70 0.61 0.71 -1.33 0.00 0.00 177.39 179.32 2km6 h THR 83 N 3.23 0.28 -0.89 -5.08 1.35 -1.91 -2.13 112.91 107.76 2km6 h THR 83 Ca 0.54 -0.06 0.08 0.00 -0.55 0.00 0.00 66.41 66.42 2km6 h THR 83 Cb 0.48 0.30 -0.11 0.00 -1.73 0.00 0.00 68.15 67.09 2km6 h THR 83 CO 1.57 0.01 -0.52 -1.84 -0.25 0.00 0.00 175.52 174.48 2km6 n GLU 84 N -5.48 -0.39 0.05 4.72 0.28 -1.26 0.04 120.64 118.59 2km6 n GLU 84 Ca -0.14 1.35 -0.07 0.00 -0.16 0.00 0.00 57.16 58.15 2km6 n GLU 84 Cb 0.39 -1.99 -0.12 0.00 1.43 0.00 0.00 31.44 31.15 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 -1.16 -1.84 -0.00 -1.99 -3.26 115.31 107.06 2km6 h LEU 85 Ca 0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.95 2km6 h LEU 85 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 2km6 h LEU 85 CO -0.83 0.98 -0.22 0.00 -0.00 0.00 0.00 178.44 178.37 2km6 h LYS 87 N 0.28 0.00 0.23 0.00 1.57 -0.45 -0.52 116.57 117.68 2km6 h LYS 87 Ca 0.05 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.50 2km6 h LYS 87 Cb 0.55 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.89 2km6 h LYS 87 CO 0.04 0.00 -1.44 0.52 -0.57 0.00 0.00 179.45 178.00 2km6 h MET 88 N 0.00 0.48 -0.80 3.15 2.86 -1.15 -3.17 114.93 116.31 2km6 h MET 88 Ca 0.00 -0.82 0.06 0.00 -2.06 0.00 0.00 59.70 56.88 2km6 h MET 88 Cb 0.52 0.31 -0.06 0.00 0.06 0.00 0.00 31.60 32.42 2km6 h MET 88 CO 0.00 1.39 0.48 0.00 1.06 0.00 0.00 176.91 179.84 2km6 h ALA 89 N 0.25 1.10 0.00 6.32 0.00 -0.18 0.13 119.26 126.88 2km6 h ALA 89 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2km6 h ALA 89 Cb 2.13 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2km6 h ALA 89 CO 0.26 0.19 0.00 1.63 0.00 0.00 0.00 179.25 181.33 2km6 n LYS 90 N -4.68 0.41 -0.01 0.00 5.02 -0.31 0.31 118.16 118.90 2km6 n LYS 90 Ca 0.11 0.06 0.01 0.00 -2.02 0.00 0.00 58.31 56.48 2km6 n LYS 90 Cb 0.19 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.71 2km6 n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2km6 n ALA 91 N -1.22 2.41 0.01 7.82 0.00 0.22 -4.66 120.51 125.09 2km6 n ALA 91 Ca 0.12 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2km6 n ALA 91 Cb 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 0.09 0.00 -0.01 0.00 1.02 0.14 -4.88 120.64 117.01 2km6 n GLU 92 Ca 0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.04 2km6 n GLU 92 Cb 0.12 -0.06 0.01 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 0.64 -3.64 3.49 4.05 -0.34 -3.30 114.93 115.82 2km6 h MET 93 Ca 0.00 -0.45 -0.76 0.00 -0.28 0.00 0.00 59.70 58.21 2km6 h MET 93 Cb 0.10 0.07 -0.29 0.00 -0.80 0.00 0.00 31.60 30.68 2km6 h MET 93 CO 0.00 1.07 0.08 0.00 0.23 0.00 0.00 176.91 178.28 2km6 s MET 94 N -3.89 3.52 -0.04 0.39 0.23 -1.08 -4.60 119.30 113.84 2km6 s MET 94 Ca -0.08 -2.78 0.12 0.00 -1.03 0.00 0.00 55.69 51.92 2km6 s MET 94 Cb 0.10 -4.27 0.42 0.00 -1.53 0.00 0.00 34.83 29.56 2km6 s MET 94 CO 0.86 -1.25 1.31 -0.85 -2.03 0.00 0.00 175.02 173.06 2km6 n GLU 95 N 3.33 2.38 0.07 3.16 -0.00 -1.25 -3.44 120.64 124.89 2km6 n GLU 95 Ca 0.16 -1.69 -0.04 0.00 -0.00 0.00 0.00 57.16 55.59 2km6 n GLU 95 Cb 0.42 -1.51 -0.08 0.00 -0.00 0.00 0.00 31.44 30.27 2km6 n GLU 95 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 2km6 h ASP 96 N 2.57 0.00 -2.63 -1.84 3.58 -1.93 -3.47 116.42 112.71 2km6 h ASP 96 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2km6 h ASP 96 Cb 0.81 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2km6 h ASP 96 CO 0.08 0.82 0.00 0.61 -2.88 0.00 0.00 179.24 177.87 2km6 n GLY 97 N 1.35 -3.01 0.38 -0.78 0.00 -1.22 -5.13 105.19 96.77 2km6 n GLY 97 Ca -0.03 -0.84 0.14 0.00 0.00 0.00 0.00 46.02 45.30 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26