#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 -0.00 -0.06 2.03 -4.23 -1.26 -5.10 115.64 107.01 2km6 s THR 4 Ca 0.00 0.01 -0.26 0.00 -1.18 0.00 0.00 61.69 60.26 2km6 s THR 4 Cb 0.00 -0.83 -0.23 0.00 1.34 0.00 0.00 72.50 72.78 2km6 s THR 4 CO 0.00 0.00 1.02 0.77 -0.54 0.00 0.00 174.62 175.88 2km6 h SER 5 N 5.67 0.12 0.15 3.99 4.64 -2.06 -3.10 113.55 122.96 2km6 h SER 5 Ca -0.29 -0.76 -0.01 0.00 -0.47 0.00 0.00 61.79 60.26 2km6 h SER 5 Cb 1.18 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2km6 h SER 5 CO 0.15 0.87 -0.07 -0.65 -0.87 0.00 0.00 176.83 176.25 2km6 h PRO 6 N -0.61 -0.20 -0.82 4.77 0.11 -1.99 -2.92 132.00 130.33 2km6 h PRO 6 Ca -0.02 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.13 2km6 h PRO 6 Cb 0.88 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 2km6 h PRO 6 CO 0.03 -0.04 0.54 1.96 -0.21 0.00 0.00 178.00 180.28 2km6 h GLN 7 N -0.32 1.04 0.40 1.05 7.50 -1.98 0.43 115.11 123.23 2km6 h GLN 7 Ca -0.02 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.06 2km6 h GLN 7 Cb 0.25 -0.23 -0.02 0.00 0.05 0.00 0.00 27.48 27.53 2km6 h GLN 7 CO 0.03 0.69 -0.34 1.25 -1.50 0.00 0.00 178.83 178.96 2km6 h LEU 8 N 1.07 -0.91 -1.07 1.46 6.46 -1.50 0.34 115.31 121.16 2km6 h LEU 8 Ca 0.32 0.07 -0.10 0.00 -0.12 0.00 0.00 57.88 58.05 2km6 h LEU 8 Cb -0.04 0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 2km6 h LEU 8 CO -0.08 -0.50 -0.45 -0.08 -0.62 0.00 0.00 178.44 176.72 2km6 h GLU 9 N -0.75 0.04 0.41 1.25 4.81 -1.21 -2.87 114.58 116.26 2km6 h GLU 9 Ca -0.03 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2km6 h GLU 9 Cb 0.66 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2km6 h GLU 9 CO -0.02 0.48 -0.20 2.35 -0.73 0.00 0.00 179.01 180.89 2km6 h TRP 10 N 0.04 -0.51 -0.78 0.92 7.01 0.31 0.14 115.95 123.08 2km6 h TRP 10 Ca -0.00 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.02 2km6 h TRP 10 Cb 0.80 0.17 -0.05 0.00 -2.10 0.00 0.00 29.16 27.98 2km6 h TRP 10 CO 0.00 -0.25 0.49 1.15 -2.79 0.00 0.00 178.44 177.05 2km6 h THR 11 N -0.67 1.12 -0.06 2.65 2.02 -0.83 0.95 112.91 118.09 2km6 h THR 11 Ca -0.06 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 2km6 h THR 11 Cb 0.49 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2km6 h THR 11 CO 0.09 0.18 0.01 -0.07 0.37 0.00 0.00 175.52 176.10 2km6 h LEU 12 N 0.97 0.10 -0.80 2.58 3.38 -1.47 -2.90 115.31 117.16 2km6 h LEU 12 Ca 0.31 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2km6 h LEU 12 Cb 0.01 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2km6 h LEU 12 CO -0.11 0.31 0.38 0.06 0.09 0.00 0.00 178.44 179.17 2km6 h GLN 13 N -0.12 1.16 -0.40 1.13 3.07 -0.18 -1.71 115.11 118.08 2km6 h GLN 13 Ca 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 58.65 58.58 2km6 h GLN 13 Cb 0.25 -0.21 -0.02 0.00 0.08 0.00 0.00 27.48 27.59 2km6 h GLN 13 CO 0.00 0.90 0.21 1.15 0.09 0.00 0.00 178.83 181.19 2km6 h THR 14 N 1.14 1.13 -0.06 1.86 2.02 -0.78 0.38 112.91 118.60 2km6 h THR 14 Ca 0.28 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 2km6 h THR 14 Cb 0.13 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2km6 h THR 14 CO -0.03 0.14 -0.19 -0.07 0.37 0.00 0.00 175.52 175.74 2km6 h LEU 15 N 0.55 0.28 -0.09 2.58 3.38 -1.22 -3.06 115.31 117.72 2km6 h LEU 15 Ca 0.14 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2km6 h LEU 15 Cb 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2km6 h LEU 15 CO -0.02 0.84 0.00 0.18 0.09 0.00 0.00 178.44 179.52 2km6 n LEU 16 N -4.56 0.14 0.03 1.67 4.77 -0.54 -1.04 117.00 117.46 2km6 n LEU 16 Ca -0.08 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.54 2km6 n LEU 16 Cb 0.42 -0.50 0.14 0.00 -2.33 0.00 0.00 43.42 41.14 2km6 n LEU 16 CO 0.39 -0.23 0.25 -0.62 -1.33 0.00 0.00 177.39 175.85 2km6 n GLU 17 N -1.64 0.19 -0.04 3.23 1.02 0.12 -3.27 120.64 120.24 2km6 n GLU 17 Ca 0.04 0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.05 2km6 n GLU 17 Cb 0.23 -1.59 -0.14 0.00 -0.02 0.00 0.00 31.44 29.93 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 -1.84 0.69 -3.89 3.49 6.02 -0.20 -4.78 117.38 116.87 2km6 n GLN 18 Ca 0.04 0.22 -0.35 0.00 -0.01 0.00 0.00 57.00 56.89 2km6 n GLN 18 Cb 0.40 -1.68 -0.14 0.00 1.02 0.00 0.00 30.24 29.84 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 -6.47 3.28 0.00 1.08 0.05 -0.31 -4.85 118.68 111.46 2km6 s LEU 19 Ca -0.18 -0.70 0.00 0.00 0.05 0.00 0.00 54.13 53.31 2km6 s LEU 19 Cb 0.07 -1.74 0.00 0.00 -2.05 0.00 0.00 46.19 42.47 2km6 s LEU 19 CO 0.77 -0.12 0.00 -0.46 -0.55 0.00 0.00 176.35 175.99 2km6 n ASN 20 N 4.76 0.00 0.02 1.48 0.23 -1.26 -4.47 115.26 116.02 2km6 n ASN 20 Ca -0.16 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 53.88 2km6 n ASN 20 Cb 0.48 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.18 2km6 n ASN 20 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2km6 h GLU 21 N 0.00 -0.06 -0.04 -3.83 4.81 -1.93 -3.22 114.58 110.31 2km6 h GLU 21 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2km6 h GLU 21 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2km6 h GLU 21 CO 0.00 -0.04 0.00 -0.25 -0.73 0.00 0.00 179.01 177.99 2km6 n ASP 22 N -2.16 1.72 0.01 1.04 8.00 -1.26 -4.57 116.55 119.33 2km6 n ASP 22 Ca -0.01 -1.39 -0.09 0.00 0.71 0.00 0.00 54.79 54.01 2km6 n ASP 22 Cb 0.02 -0.02 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 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 1.31 0.03 0.00 -1.24 4.39 -1.90 -3.23 114.58 113.94 2km6 h GLU 23 Ca 0.00 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.55 2km6 h GLU 23 Cb 0.34 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2km6 h GLU 23 CO 0.00 0.71 -0.46 1.25 -1.16 0.00 0.00 179.01 179.35 2km6 h LEU 24 N 0.01 0.00 -0.44 1.33 5.85 -1.79 -0.31 115.31 119.95 2km6 h LEU 24 Ca -0.21 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.58 2km6 h LEU 24 Cb 1.95 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.92 2km6 h LEU 24 CO 0.10 0.46 0.12 0.11 -0.34 0.00 0.00 178.44 178.90 2km6 h LYS 25 N 0.00 0.27 0.64 1.25 1.57 -1.81 0.44 116.57 118.93 2km6 h LYS 25 Ca -0.00 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2km6 h LYS 25 Cb 1.13 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.39 2km6 h LYS 25 CO 0.06 0.18 -0.31 0.77 -0.57 0.00 0.00 179.45 179.58 2km6 h SER 26 N 0.27 -0.73 -0.22 0.86 0.02 -1.52 -3.09 113.55 109.14 2km6 h SER 26 Ca 0.21 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.20 2km6 h SER 26 Cb 0.24 0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.90 2km6 h SER 26 CO -0.25 -0.39 -0.35 0.15 -1.14 0.00 0.00 176.83 174.86 2km6 h PHE 27 N -1.10 -0.98 -0.83 3.45 3.04 -0.76 0.12 116.94 119.89 2km6 h PHE 27 Ca -0.09 0.05 0.03 0.00 3.98 0.00 0.00 57.97 61.94 2km6 h PHE 27 Cb 0.70 0.46 -0.05 0.00 2.56 0.00 0.00 35.95 39.63 2km6 h PHE 27 CO 0.00 -0.41 0.54 0.87 -2.02 0.00 0.00 178.31 177.28 2km6 h LYS 28 N -0.37 1.03 -0.06 1.11 1.57 -1.04 -0.02 116.57 118.79 2km6 h LYS 28 Ca 0.11 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2km6 h LYS 28 Cb 0.56 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2km6 h LYS 28 CO -0.43 0.68 -0.03 0.77 -0.57 0.00 0.00 179.45 179.87 2km6 h SER 29 N 1.06 0.13 -0.78 0.86 0.02 -1.28 -1.18 113.55 112.38 2km6 h SER 29 Ca 0.32 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2km6 h SER 29 Cb -0.03 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 2km6 h SER 29 CO -0.10 0.53 0.45 -0.07 -1.14 0.00 0.00 176.83 176.49 2km6 h LEU 30 N -0.26 0.97 -1.40 5.07 3.38 -0.54 -0.10 115.31 122.43 2km6 h LEU 30 Ca 0.01 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2km6 h LEU 30 Cb 0.48 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2km6 h LEU 30 CO 0.01 0.77 -0.03 0.25 0.09 0.00 0.00 178.44 179.53 2km6 h LEU 31 N 1.10 0.33 -1.40 1.67 5.85 -0.93 -0.55 115.31 121.38 2km6 h LEU 31 Ca 0.28 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2km6 h LEU 31 Cb 0.00 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2km6 h LEU 31 CO -0.05 0.41 0.00 1.87 -0.34 0.00 0.00 178.44 180.34 2km6 n TRP 32 N -4.32 0.42 -0.04 1.25 -0.00 -0.33 -3.86 117.44 110.56 2km6 n TRP 32 Ca 0.00 -0.21 -0.01 0.00 -0.00 0.00 0.00 57.50 57.28 2km6 n TRP 32 Cb 0.22 0.00 -0.09 0.00 -0.00 0.00 0.00 31.31 31.44 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 0.60 1.99 -1.81 5.87 0.00 -0.20 -4.98 120.51 121.98 2km6 n ALA 33 Ca 0.15 -0.59 -0.32 0.00 0.00 0.00 0.00 53.44 52.67 2km6 n ALA 33 Cb 0.35 -0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.49 3.36 -0.18 0.00 -0.12 -0.80 -4.95 117.98 112.79 2km6 s PHE 34 Ca -0.05 1.48 -0.28 0.00 -0.05 0.00 0.00 56.93 58.03 2km6 s PHE 34 Cb 0.05 -2.84 -0.05 0.00 -0.63 0.00 0.00 43.02 39.55 2km6 s PHE 34 CO 0.49 -0.50 2.10 -1.25 -0.05 0.00 0.00 175.22 176.01 2km6 s PRO 35 N -4.02 3.38 0.43 1.99 0.04 -1.26 -4.93 135.00 130.62 2km6 s PRO 35 Ca 0.60 2.06 -0.23 0.00 0.04 0.00 0.00 61.00 63.47 2km6 s PRO 35 Cb -0.11 -4.30 -0.08 0.00 0.04 0.00 0.00 34.50 30.05 2km6 s PRO 35 CO 0.31 -1.82 1.10 -0.51 0.04 0.00 0.00 177.00 176.12 2km6 s LEU 36 N 7.28 4.07 0.33 -3.56 1.43 -1.26 -5.03 118.68 121.93 2km6 s LEU 36 Ca 0.95 2.16 0.07 0.00 -1.03 0.00 0.00 54.13 56.28 2km6 s LEU 36 Cb -0.33 -4.22 -0.02 0.00 0.03 0.00 0.00 46.19 41.64 2km6 s LEU 36 CO 0.36 -0.70 0.35 -1.61 0.23 0.00 0.00 176.35 174.98 2km6 s GLU 37 N -2.62 2.88 0.14 1.70 2.02 -1.26 -4.94 118.70 116.63 2km6 s GLU 37 Ca 0.61 -1.18 -0.26 0.00 0.02 0.00 0.00 54.97 54.16 2km6 s GLU 37 Cb -0.25 -2.60 -0.05 0.00 0.10 0.00 0.00 34.13 31.32 2km6 s GLU 37 CO 0.31 0.11 1.30 -0.40 0.02 0.00 0.00 175.26 176.60 2km6 n ASP 38 N -1.45 -0.89 0.18 -0.19 5.75 -1.26 -0.56 116.55 118.13 2km6 n ASP 38 Ca -0.02 1.50 0.03 0.00 -0.01 0.00 0.00 54.79 56.29 2km6 n ASP 38 Cb 0.59 -0.20 0.38 0.00 -1.03 0.00 0.00 41.12 40.86 2km6 n ASP 38 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2km6 h VAL 39 N 0.00 1.24 0.00 2.12 2.07 -1.95 -2.63 116.25 117.09 2km6 h VAL 39 Ca 0.14 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.53 2km6 h VAL 39 Cb 0.35 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2km6 h VAL 39 CO -0.79 0.33 0.00 0.18 0.02 0.00 0.00 177.57 177.30 2km6 n LEU 40 N -4.15 0.53 0.00 2.57 4.77 0.28 -2.61 117.00 118.39 2km6 n LEU 40 Ca -0.02 0.60 0.14 0.00 -0.03 0.00 0.00 56.01 56.70 2km6 n LEU 40 Cb 0.37 -0.49 0.74 0.00 -2.33 0.00 0.00 43.42 41.70 2km6 n LEU 40 CO 0.39 -0.37 0.98 0.00 -1.33 0.00 0.00 177.39 177.06 2km6 n GLN 41 N -2.05 0.56 -0.15 3.23 6.02 -0.99 -2.28 117.38 121.71 2km6 n GLN 41 Ca 0.04 0.02 0.10 0.00 -0.01 0.00 0.00 57.00 57.15 2km6 n GLN 41 Cb 0.28 -1.50 0.18 0.00 1.02 0.00 0.00 30.24 30.21 2km6 n GLN 41 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2km6 n LYS 42 N -1.19 2.26 -1.80 -1.09 2.85 -1.07 -4.96 118.16 113.15 2km6 n LYS 42 Ca 0.16 -2.08 -0.43 0.00 -1.05 0.00 0.00 58.31 54.91 2km6 n LYS 42 Cb 0.18 -1.43 -0.03 0.00 -0.65 0.00 0.00 35.03 33.10 2km6 n LYS 42 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2km6 s THR 43 N -1.34 3.24 -0.58 0.58 2.01 -0.97 -4.91 115.64 113.68 2km6 s THR 43 Ca 0.32 0.26 -0.27 0.00 0.31 0.00 0.00 61.69 62.31 2km6 s THR 43 Cb 0.19 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 2km6 s THR 43 CO 0.27 -0.17 1.79 -2.16 -0.69 0.00 0.00 174.62 173.66 2km6 s PRO 44 N 5.72 2.80 0.45 4.92 0.04 -1.26 -4.83 135.00 142.84 2km6 s PRO 44 Ca 0.89 0.67 0.18 0.00 0.04 0.00 0.00 61.00 62.78 2km6 s PRO 44 Cb -0.30 -4.33 1.07 0.00 0.04 0.00 0.00 34.50 30.99 2km6 s PRO 44 CO 0.35 -2.53 1.98 2.35 0.04 0.00 0.00 177.00 179.19 2km6 h TRP 45 N 14.18 0.00 -0.81 0.56 2.91 -1.98 -1.71 115.95 129.11 2km6 h TRP 45 Ca -0.27 0.00 0.06 0.00 1.13 0.00 0.00 58.89 59.81 2km6 h TRP 45 Cb 1.15 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.75 2km6 h TRP 45 CO 1.03 0.20 0.53 1.03 -1.03 0.00 0.00 178.44 180.20 2km6 h SER 46 N 0.00 0.77 0.11 2.65 0.87 -2.00 0.30 113.55 116.26 2km6 h SER 46 Ca -0.00 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.33 2km6 h SER 46 Cb 0.40 -0.16 0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2km6 h SER 46 CO 0.03 0.50 -0.98 -0.33 -0.53 0.00 0.00 176.83 175.52 2km6 h GLU 47 N 0.88 0.46 0.00 2.24 4.39 -1.74 -3.29 114.58 117.52 2km6 h GLU 47 Ca 0.35 -0.65 -0.04 0.00 0.34 0.00 0.00 59.36 59.36 2km6 h GLU 47 Cb 0.23 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2km6 h GLU 47 CO -0.12 1.28 -0.20 -0.39 -1.16 0.00 0.00 179.01 178.42 2km6 h VAL 48 N -0.04 0.87 -0.64 3.13 -1.51 -0.58 -2.54 116.25 114.94 2km6 h VAL 48 Ca -0.15 -0.76 0.01 0.00 -1.23 0.00 0.00 66.70 64.57 2km6 h VAL 48 Cb 1.71 1.44 -0.03 0.00 -2.13 0.00 0.00 31.29 32.28 2km6 h VAL 48 CO 0.19 0.19 0.42 -0.08 -1.23 0.00 0.00 177.57 177.06 2km6 h GLU 49 N 0.00 0.85 -0.60 5.19 4.22 -0.50 -2.16 114.58 121.57 2km6 h GLU 49 Ca -0.00 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2km6 h GLU 49 Cb 0.43 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2km6 h GLU 49 CO 0.03 0.56 0.00 0.39 -2.18 0.00 0.00 179.01 177.81 2km6 n GLU 50 N -4.64 2.61 -4.40 1.92 1.02 -1.06 -4.90 120.64 111.20 2km6 n GLU 50 Ca 0.05 -2.49 -0.35 0.00 -0.02 0.00 0.00 57.16 54.36 2km6 n GLU 50 Cb 0.02 -1.55 -0.10 0.00 -0.02 0.00 0.00 31.44 29.80 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 -1.20 3.26 0.09 0.62 0.00 -0.81 -5.06 121.76 118.65 2km6 s ALA 51 Ca 0.45 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 2km6 s ALA 51 Cb 0.24 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2km6 s ALA 51 CO 0.33 0.59 0.01 0.16 0.00 0.00 0.00 175.76 176.85 2km6 s ASP 52 N -0.91 0.43 0.34 0.00 -4.77 -1.26 -4.64 116.67 105.86 2km6 s ASP 52 Ca 0.13 -1.10 0.00 0.00 -3.30 0.00 0.00 52.55 48.28 2km6 s ASP 52 Cb -0.11 0.24 0.00 0.00 -1.09 0.00 0.00 42.92 41.96 2km6 s ASP 52 CO 0.03 -0.66 0.00 0.61 0.70 0.00 0.00 175.17 175.85 2km6 n GLY 53 N 0.01 1.09 0.20 2.12 0.00 -1.20 -0.52 105.19 106.88 2km6 n GLY 53 Ca -0.10 0.70 -0.10 0.00 0.00 0.00 0.00 46.02 46.52 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 0.63 -0.57 1.61 3.11 -1.84 -2.30 116.57 117.21 2km6 h LYS 54 Ca 0.00 -0.15 -0.06 0.00 -2.81 0.00 0.00 60.65 57.63 2km6 h LYS 54 Cb 0.00 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.12 2km6 h LYS 54 CO 0.00 0.65 0.12 0.87 -2.81 0.00 0.00 179.45 178.28 2km6 h LYS 55 N 0.50 0.90 -0.54 1.90 1.79 -1.18 -1.64 116.57 118.30 2km6 h LYS 55 Ca 0.13 -0.20 -0.09 0.00 -2.18 0.00 0.00 60.65 58.30 2km6 h LYS 55 Cb 0.30 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 2km6 h LYS 55 CO 0.00 0.82 -0.00 1.25 -1.08 0.00 0.00 179.45 180.44 2km6 h LEU 56 N 0.86 0.94 -1.43 2.94 5.85 -1.28 -2.38 115.31 120.81 2km6 h LEU 56 Ca 0.18 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.61 2km6 h LEU 56 Cb 0.35 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2km6 h LEU 56 CO 0.00 1.02 0.40 0.00 -0.34 0.00 0.00 178.44 179.52 2km6 h ALA 57 N 0.95 1.62 -0.21 1.25 0.00 -0.84 -0.85 119.26 121.18 2km6 h ALA 57 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2km6 h ALA 57 Cb 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2km6 h ALA 57 CO 0.03 0.34 -0.11 1.49 0.00 0.00 0.00 179.25 180.99 2km6 h GLU 58 N 0.77 0.33 0.09 0.00 4.81 -0.82 -0.62 114.58 119.14 2km6 h GLU 58 Ca 0.23 -0.08 -0.26 0.00 -0.13 0.00 0.00 59.36 59.12 2km6 h GLU 58 Cb -0.02 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2km6 h GLU 58 CO -0.06 0.46 -1.19 0.82 -0.73 0.00 0.00 179.01 178.31 2km6 h ILE 59 N 0.31 1.54 -0.59 2.32 2.04 -0.81 -2.89 117.51 119.44 2km6 h ILE 59 Ca 0.06 -3.15 -0.09 0.00 1.00 0.00 0.00 64.86 62.68 2km6 h ILE 59 Cb 0.40 2.91 -0.02 0.00 -0.74 0.00 0.00 36.82 39.37 2km6 h ILE 59 CO 0.02 0.91 0.03 -0.07 0.00 0.00 0.00 178.15 179.04 2km6 h LEU 60 N 0.05 0.98 0.00 1.44 -0.00 -0.67 -2.51 115.31 114.60 2km6 h LEU 60 Ca -0.11 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 2km6 h LEU 60 Cb 1.92 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 42.32 2km6 h LEU 60 CO 0.18 1.02 0.00 1.33 -0.00 0.00 0.00 178.44 180.97 2km6 n VAL 61 N -4.19 0.19 1.03 1.22 0.24 -0.29 -2.52 118.33 114.01 2km6 n VAL 61 Ca 0.03 0.05 0.13 0.00 -2.04 0.00 0.00 64.34 62.51 2km6 n VAL 61 Cb 0.32 -0.61 0.36 0.00 -1.47 0.00 0.00 33.84 32.45 2km6 n VAL 61 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2km6 n ASN 62 N -1.40 0.41 0.00 -1.34 5.15 -0.95 -4.58 115.26 112.55 2km6 n ASN 62 Ca 0.09 -0.13 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 2km6 n ASN 62 Cb 0.26 0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.56 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 -1.43 0.00 -3.29 -0.44 -2.24 -1.05 -5.08 114.28 100.75 2km6 n THR 63 Ca 0.07 0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.66 2km6 n THR 63 Cb 0.33 -0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 67.71 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 -1.94 6.18 0.64 3.42 0.01 -1.06 -4.95 113.70 116.00 2km6 s SER 64 Ca 0.00 0.39 -0.11 0.00 1.31 0.00 0.00 55.95 57.54 2km6 s SER 64 Cb 0.00 -1.89 -0.03 0.00 0.21 0.00 0.00 66.02 64.32 2km6 s SER 64 CO 0.00 -0.40 1.04 -0.44 0.41 0.00 0.00 173.24 173.85 2km6 s SER 65 N -4.08 5.98 0.43 2.44 0.01 -1.26 -4.47 113.70 112.74 2km6 s SER 65 Ca 0.42 1.49 0.09 0.00 1.31 0.00 0.00 55.95 59.26 2km6 s SER 65 Cb -0.10 -2.48 0.94 0.00 0.21 0.00 0.00 66.02 64.60 2km6 s SER 65 CO 0.36 -1.04 2.06 1.05 0.41 0.00 0.00 173.24 176.08 2km6 h GLU 66 N -0.41 0.44 -0.01 12.44 9.09 -1.96 0.21 114.58 134.39 2km6 h GLU 66 Ca -0.44 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 58.95 2km6 h GLU 66 Cb 1.20 -0.10 -0.00 0.00 -1.65 0.00 0.00 28.75 28.20 2km6 h GLU 66 CO 0.60 0.29 0.02 -0.97 0.05 0.00 0.00 179.01 179.01 2km6 h ASN 67 N 0.46 0.00 0.00 3.06 -1.24 -1.93 0.31 115.58 116.25 2km6 h ASN 67 Ca 0.15 0.00 -0.44 0.00 0.71 0.00 0.00 56.30 56.72 2km6 h ASN 67 Cb 0.04 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.02 2km6 h ASN 67 CO -0.03 0.00 -2.51 1.87 -1.29 0.00 0.00 177.43 175.46 2km6 n TRP 68 N -3.42 0.00 0.03 0.67 -0.00 0.44 -4.47 117.44 110.69 2km6 n TRP 68 Ca -0.03 0.00 0.20 0.00 -0.00 0.00 0.00 57.50 57.67 2km6 n TRP 68 Cb 0.10 -0.99 0.70 0.00 -0.00 0.00 0.00 31.31 31.12 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 -0.62 0.70 -0.75 5.87 2.04 -0.37 -0.18 117.51 124.20 2km6 h ILE 69 Ca -0.65 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.36 2km6 h ILE 69 Cb 1.72 0.75 -0.10 0.00 -0.74 0.00 0.00 36.82 38.44 2km6 h ILE 69 CO -0.30 0.00 0.26 0.08 0.00 0.00 0.00 178.15 178.19 2km6 h ARG 70 N 0.00 0.36 -0.01 2.37 0.11 -1.17 -0.81 114.38 115.24 2km6 h ARG 70 Ca 0.23 -0.02 -0.20 0.00 0.10 0.00 0.00 59.98 60.09 2km6 h ARG 70 Cb 0.94 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.93 2km6 h ARG 70 CO -0.00 0.24 -0.86 -0.97 0.10 0.00 0.00 179.97 178.48 2km6 h ASN 71 N 0.37 0.32 0.56 0.08 -1.24 -1.29 -2.86 115.58 111.53 2km6 h ASN 71 Ca 0.42 -0.25 -0.03 0.00 0.71 0.00 0.00 56.30 57.16 2km6 h ASN 71 Cb 0.68 -0.10 0.01 0.00 0.73 0.00 0.00 38.32 39.64 2km6 h ASN 71 CO -0.45 1.03 -0.27 0.00 -1.29 0.00 0.00 177.43 176.46 2km6 h ALA 72 N 0.95 -1.06 -0.91 1.57 0.00 -1.14 -0.50 119.26 118.16 2km6 h ALA 72 Ca -0.05 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2km6 h ALA 72 Cb 1.47 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.51 2km6 h ALA 72 CO 0.14 -1.01 0.60 0.00 0.00 0.00 0.00 179.25 178.98 2km6 h THR 73 N -0.85 1.24 -0.22 0.00 1.03 -1.31 0.49 112.91 113.28 2km6 h THR 73 Ca -0.08 -0.43 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 2km6 h THR 73 Cb 0.58 -0.10 -0.01 0.00 -1.07 0.00 0.00 68.15 67.55 2km6 h THR 73 CO 0.13 0.23 0.15 0.58 -0.01 0.00 0.00 175.52 176.59 2km6 h VAL 74 N 1.23 1.06 -0.02 0.00 2.07 -1.51 -0.33 116.25 118.75 2km6 h VAL 74 Ca 0.33 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.74 2km6 h VAL 74 Cb -0.14 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2km6 h VAL 74 CO -0.07 0.06 0.01 -1.13 0.02 0.00 0.00 177.57 176.46 2km6 h ASN 75 N 0.30 0.03 -0.44 0.57 -0.73 -0.34 0.39 115.58 115.35 2km6 h ASN 75 Ca 0.08 -0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.12 2km6 h ASN 75 Cb -0.03 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.53 2km6 h ASN 75 CO -0.02 0.15 0.29 0.40 -0.37 0.00 0.00 177.43 177.88 2km6 h ILE 76 N -0.10 1.12 -0.89 2.57 1.08 -0.79 0.18 117.51 120.68 2km6 h ILE 76 Ca 0.01 -0.22 -0.02 0.00 -0.39 0.00 0.00 64.86 64.25 2km6 h ILE 76 Cb 0.13 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 2km6 h ILE 76 CO -0.00 0.11 0.49 -0.07 -0.69 0.00 0.00 178.15 177.99 2km6 h LEU 77 N 0.60 1.11 -1.33 1.44 4.07 -0.94 -1.00 115.31 119.25 2km6 h LEU 77 Ca 0.16 -0.10 -0.05 0.00 0.08 0.00 0.00 57.88 57.97 2km6 h LEU 77 Cb -0.06 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.38 2km6 h LEU 77 CO -0.03 0.89 -0.12 -0.33 -1.08 0.00 0.00 178.44 177.77 2km6 h GLU 78 N 1.24 0.31 0.00 1.13 5.08 -0.17 -1.27 114.58 120.89 2km6 h GLU 78 Ca 0.31 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2km6 h GLU 78 Cb 0.02 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2km6 h GLU 78 CO -0.05 0.43 0.00 0.39 -1.00 0.00 0.00 179.01 178.78 2km6 n GLU 79 N -4.26 0.21 -0.31 2.33 -0.58 0.55 -2.47 120.64 116.10 2km6 n GLU 79 Ca -0.00 0.30 0.10 0.00 -0.42 0.00 0.00 57.16 57.13 2km6 n GLU 79 Cb 0.28 -1.80 0.27 0.00 -0.57 0.00 0.00 31.44 29.61 2km6 n GLU 79 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2km6 n MET 80 N -2.17 2.77 -2.71 3.49 2.81 -0.50 -4.95 117.12 115.86 2km6 n MET 80 Ca 0.04 -2.46 -0.20 0.00 -1.81 0.00 0.00 57.70 53.27 2km6 n MET 80 Cb 0.32 -1.47 0.02 0.00 -0.71 0.00 0.00 33.22 31.38 2km6 n MET 80 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2km6 n ASN 81 N 1.28 -5.58 -4.40 7.83 5.15 -1.03 -4.97 115.26 113.53 2km6 n ASN 81 Ca 0.20 -0.16 -0.40 0.00 -0.60 0.00 0.00 54.58 53.62 2km6 n ASN 81 Cb 0.56 -4.50 -0.11 0.00 -0.53 0.00 0.00 39.78 35.20 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 -5.79 4.51 -0.17 1.20 1.43 -0.56 -4.94 118.68 114.37 2km6 s LEU 82 Ca 0.17 -0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 52.32 2km6 s LEU 82 Cb -0.07 -2.02 -0.06 0.00 0.03 0.00 0.00 46.19 44.07 2km6 s LEU 82 CO 0.20 -0.32 -0.21 0.35 0.23 0.00 0.00 176.35 176.61 2km6 n THR 83 N 5.00 1.46 -0.15 5.49 -2.24 -1.26 -4.17 114.28 118.40 2km6 n THR 83 Ca -0.12 0.14 -0.06 0.00 -2.27 0.00 0.00 64.05 61.74 2km6 n THR 83 Cb 0.47 -2.32 -0.05 0.00 -2.10 0.00 0.00 70.33 66.33 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 -1.00 -0.06 0.00 -0.78 4.11 -1.99 0.36 114.58 115.21 2km6 h GLU 84 Ca -0.07 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.25 2km6 h GLU 84 Cb 0.79 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2km6 h GLU 84 CO -0.04 -0.04 -0.54 1.37 0.07 0.00 0.00 179.01 179.82 2km6 h LEU 85 N -0.07 0.00 -0.71 3.06 -0.00 -2.00 -2.80 115.31 112.79 2km6 h LEU 85 Ca 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.84 2km6 h LEU 85 Cb 0.23 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 2km6 h LEU 85 CO -0.39 0.54 -0.07 0.00 -0.00 0.00 0.00 178.44 178.52 2km6 h LYS 87 N 0.83 0.00 -0.07 0.00 1.57 -0.20 -0.25 116.57 118.45 2km6 h LYS 87 Ca 0.14 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.73 2km6 h LYS 87 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 2km6 h LYS 87 CO 0.04 0.36 -0.77 1.98 -0.57 0.00 0.00 179.45 180.49 2km6 h MET 88 N 0.00 0.45 -0.64 3.15 4.05 -1.08 -2.21 114.93 118.64 2km6 h MET 88 Ca -0.00 -0.38 -0.05 0.00 -0.28 0.00 0.00 59.70 58.99 2km6 h MET 88 Cb 0.67 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.52 2km6 h MET 88 CO 0.05 1.02 0.22 0.00 0.23 0.00 0.00 176.91 178.44 2km6 h ALA 89 N 0.86 0.84 0.00 0.39 0.00 -0.25 0.22 119.26 121.32 2km6 h ALA 89 Ca -0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2km6 h ALA 89 Cb 1.36 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2km6 h ALA 89 CO 0.14 0.49 -0.07 0.87 0.00 0.00 0.00 179.25 180.67 2km6 h LYS 90 N 0.92 0.00 0.09 0.00 1.57 -0.88 0.18 116.57 118.45 2km6 h LYS 90 Ca 0.21 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.66 2km6 h LYS 90 Cb 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2km6 h LYS 90 CO -0.01 0.07 -1.83 0.00 -0.57 0.00 0.00 179.45 177.11 2km6 n ALA 91 N -2.18 0.87 0.03 3.86 0.00 -0.63 -4.53 120.51 117.93 2km6 n ALA 91 Ca -0.01 -0.58 -0.20 0.00 0.00 0.00 0.00 53.44 52.65 2km6 n ALA 91 Cb 0.25 -0.63 -0.14 0.00 0.00 0.00 0.00 19.45 18.93 2km6 n ALA 91 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2km6 h GLU 92 N -0.22 0.28 0.00 0.00 5.08 -0.54 -3.03 114.58 116.14 2km6 h GLU 92 Ca -0.41 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.47 2km6 h GLU 92 Cb 1.84 0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.26 2km6 h GLU 92 CO -0.00 1.17 0.00 -1.33 -1.00 0.00 0.00 179.01 177.84 2km6 n MET 93 N -3.47 3.83 0.00 2.33 2.81 0.62 -3.86 117.12 119.38 2km6 n MET 93 Ca -0.26 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.63 2km6 n MET 93 Cb 1.06 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.57 2km6 n MET 93 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2km6 n MET 94 N 0.00 0.00 -0.90 0.03 2.81 -1.26 -2.62 117.12 115.18 2km6 n MET 94 Ca 0.00 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.93 2km6 n MET 94 Cb 0.00 0.00 0.37 0.00 -0.71 0.00 0.00 33.22 32.88 2km6 n MET 94 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2km6 n GLU 95 N 0.00 4.55 0.00 0.03 0.28 -1.26 -4.56 120.64 119.68 2km6 n GLU 95 Ca 0.00 -3.02 0.00 0.00 -0.16 0.00 0.00 57.16 53.98 2km6 n GLU 95 Cb 0.00 -2.23 0.00 0.00 1.43 0.00 0.00 31.44 30.64 2km6 n GLU 95 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2km6 n ASP 96 N 0.45 0.00 -2.88 -1.84 2.03 -1.23 -4.97 116.55 108.11 2km6 n ASP 96 Ca 0.29 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.41 2km6 n ASP 96 Cb 1.21 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.61 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 3.26 -0.50 0.93 0.27 0.00 -1.08 -5.01 105.19 103.06 2km6 n GLY 97 Ca 0.00 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.21 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26