#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 1.05 -0.15 1.12 -4.23 -1.26 -5.09 115.64 107.09 2km6 s THR 4 Ca 0.00 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 2km6 s THR 4 Cb 0.00 -2.15 -0.06 0.00 1.34 0.00 0.00 72.50 71.62 2km6 s THR 4 CO 0.00 0.00 -0.23 -1.20 -0.54 0.00 0.00 174.62 172.65 2km6 n SER 5 N -1.29 1.38 -0.00 3.99 7.64 -1.26 -4.34 113.62 119.74 2km6 n SER 5 Ca -0.18 0.23 -0.13 0.00 1.01 0.00 0.00 58.87 59.80 2km6 n SER 5 Cb 0.67 -0.55 -0.09 0.00 -1.01 0.00 0.00 64.21 63.23 2km6 n SER 5 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2km6 h PRO 6 N -0.64 0.00 0.00 1.43 0.11 -2.01 -3.01 132.00 127.88 2km6 h PRO 6 Ca -0.31 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 2km6 h PRO 6 Cb 1.15 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2km6 h PRO 6 CO -0.19 0.38 -0.09 1.96 -0.21 0.00 0.00 178.00 179.85 2km6 h GLN 7 N -0.38 0.00 0.66 1.05 7.50 -1.97 -0.82 115.11 121.15 2km6 h GLN 7 Ca 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 2km6 h GLN 7 Cb 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 2km6 h GLN 7 CO 0.00 0.09 -0.47 1.25 -1.50 0.00 0.00 178.83 178.21 2km6 h LEU 8 N 0.00 -1.22 -0.62 1.46 7.12 -1.72 0.12 115.31 120.46 2km6 h LEU 8 Ca -0.00 0.08 -0.14 0.00 0.13 0.00 0.00 57.88 57.94 2km6 h LEU 8 Cb 0.21 0.37 -0.02 0.00 -0.53 0.00 0.00 40.66 40.69 2km6 h LEU 8 CO 0.01 -0.68 -0.68 -0.08 -0.13 0.00 0.00 178.44 176.88 2km6 h GLU 9 N -1.07 0.00 -0.76 1.25 4.81 -1.50 -2.96 114.58 114.34 2km6 h GLU 9 Ca -0.09 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2km6 h GLU 9 Cb 0.88 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.23 2km6 h GLU 9 CO 0.05 0.68 0.36 2.35 -0.73 0.00 0.00 179.01 181.72 2km6 h TRP 10 N 0.00 1.09 -0.80 0.92 7.01 -0.97 -2.33 115.95 120.87 2km6 h TRP 10 Ca -0.01 -0.05 -0.03 0.00 2.11 0.00 0.00 58.89 60.91 2km6 h TRP 10 Cb 1.22 -0.34 -0.04 0.00 -2.10 0.00 0.00 29.16 27.90 2km6 h TRP 10 CO 0.00 0.80 0.39 1.15 -2.79 0.00 0.00 178.44 177.99 2km6 h THR 11 N 1.09 1.25 0.28 2.65 2.02 -0.58 0.30 112.91 119.91 2km6 h THR 11 Ca 0.26 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 2km6 h THR 11 Cb 0.12 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 2km6 h THR 11 CO -0.03 0.30 -0.19 -0.07 0.37 0.00 0.00 175.52 175.90 2km6 h LEU 12 N 1.14 -0.48 -1.01 2.58 3.38 -1.53 -2.05 115.31 117.33 2km6 h LEU 12 Ca 0.28 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 2km6 h LEU 12 Cb 0.11 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2km6 h LEU 12 CO -0.04 -0.30 0.39 0.06 0.09 0.00 0.00 178.44 178.64 2km6 h GLN 13 N -0.46 1.08 -0.85 1.13 3.07 -1.09 -1.70 115.11 116.29 2km6 h GLN 13 Ca -0.02 -0.14 0.00 0.00 0.09 0.00 0.00 58.65 58.58 2km6 h GLN 13 Cb 0.39 -0.21 -0.04 0.00 0.08 0.00 0.00 27.48 27.70 2km6 h GLN 13 CO 0.01 0.82 0.54 1.15 0.09 0.00 0.00 178.83 181.44 2km6 h THR 14 N 1.08 1.23 -0.14 1.86 2.02 -0.64 0.50 112.91 118.82 2km6 h THR 14 Ca 0.27 -0.46 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 2km6 h THR 14 Cb 0.08 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.49 2km6 h THR 14 CO -0.04 0.23 -0.20 -0.07 0.37 0.00 0.00 175.52 175.82 2km6 h LEU 15 N 1.16 0.42 0.00 2.58 3.38 -0.91 -2.95 115.31 118.99 2km6 h LEU 15 Ca 0.31 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2km6 h LEU 15 Cb -0.09 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2km6 h LEU 15 CO -0.06 0.85 0.00 0.18 0.09 0.00 0.00 178.44 179.50 2km6 n LEU 16 N -4.50 0.00 0.01 1.67 4.32 -0.68 -1.23 117.00 116.59 2km6 n LEU 16 Ca -0.06 0.22 0.11 0.00 -0.02 0.00 0.00 56.01 56.25 2km6 n LEU 16 Cb 0.40 -0.22 -0.05 0.00 -1.62 0.00 0.00 43.42 41.94 2km6 n LEU 16 CO 0.40 -0.02 -0.12 -0.62 -1.22 0.00 0.00 177.39 175.81 2km6 n GLU 17 N -1.22 0.23 0.01 3.23 1.02 0.17 -3.89 120.64 120.19 2km6 n GLU 17 Ca 0.15 -0.04 -0.19 0.00 -0.02 0.00 0.00 57.16 57.06 2km6 n GLU 17 Cb 0.19 -1.54 -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 1.96 1.18 0.00 0.00 177.13 180.27 2km6 h GLN 18 N 0.00 0.23 -5.10 3.49 4.20 -1.10 -3.44 115.11 113.39 2km6 h GLN 18 Ca 0.00 -0.39 -0.66 0.00 0.06 0.00 0.00 58.65 57.66 2km6 h GLN 18 Cb 0.68 0.15 -0.27 0.00 0.30 0.00 0.00 27.48 28.33 2km6 h GLN 18 CO 0.00 1.09 -0.73 -0.48 -0.67 0.00 0.00 178.83 178.04 2km6 s LEU 19 N -6.89 2.87 0.14 1.46 0.05 -0.37 -4.89 118.68 111.05 2km6 s LEU 19 Ca -0.18 -0.36 0.00 0.00 0.05 0.00 0.00 54.13 53.64 2km6 s LEU 19 Cb 0.07 -1.71 0.00 0.00 -2.05 0.00 0.00 46.19 42.50 2km6 s LEU 19 CO 0.79 0.04 0.00 -0.46 -0.55 0.00 0.00 176.35 176.17 2km6 n ASN 20 N 4.39 -1.25 0.00 1.48 0.23 -1.26 -4.40 115.26 114.45 2km6 n ASN 20 Ca -0.18 0.39 0.00 0.00 -0.53 0.00 0.00 54.58 54.26 2km6 n ASN 20 Cb 0.51 1.41 0.00 0.00 -2.08 0.00 0.00 39.78 39.62 2km6 n ASN 20 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2km6 n GLU 21 N -2.79 0.00 -0.02 -3.83 1.02 -1.26 -0.50 120.64 113.25 2km6 n GLU 21 Ca 0.00 0.36 0.01 0.00 -0.02 0.00 0.00 57.16 57.51 2km6 n GLU 21 Cb 0.00 -0.60 0.02 0.00 -0.02 0.00 0.00 31.44 30.84 2km6 n GLU 21 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2km6 n ASP 22 N -1.64 1.90 0.07 1.62 2.03 -1.26 -4.66 116.55 114.61 2km6 n ASP 22 Ca 0.00 -1.75 -0.20 0.00 0.52 0.00 0.00 54.79 53.36 2km6 n ASP 22 Cb 0.00 -0.03 -0.15 0.00 -0.72 0.00 0.00 41.12 40.22 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 0.39 0.33 0.00 -0.67 4.39 -1.65 -3.30 114.58 114.07 2km6 h GLU 23 Ca 0.00 -0.56 -0.11 0.00 0.34 0.00 0.00 59.36 59.03 2km6 h GLU 23 Cb 0.42 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 2km6 h GLU 23 CO 0.00 1.22 -0.53 1.25 -1.16 0.00 0.00 179.01 179.79 2km6 h LEU 24 N 0.09 0.00 -1.02 1.33 5.85 -1.06 -1.78 115.31 118.71 2km6 h LEU 24 Ca -0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2km6 h LEU 24 Cb 2.07 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 43.05 2km6 h LEU 24 CO 0.17 0.53 0.60 0.11 -0.34 0.00 0.00 178.44 179.51 2km6 h LYS 25 N 0.00 1.26 0.16 1.25 1.57 -1.75 0.93 116.57 120.00 2km6 h LYS 25 Ca -0.01 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2km6 h LYS 25 Cb 0.96 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2km6 h LYS 25 CO 0.07 0.86 -0.08 0.77 -0.57 0.00 0.00 179.45 180.50 2km6 h SER 26 N 1.29 -0.19 -0.66 0.86 0.02 -1.57 -3.18 113.55 110.13 2km6 h SER 26 Ca 0.34 -0.30 0.14 0.00 -0.84 0.00 0.00 61.79 61.13 2km6 h SER 26 Cb -0.10 0.05 -0.11 0.00 0.14 0.00 0.00 62.40 62.37 2km6 h SER 26 CO -0.07 0.24 0.02 0.15 -1.14 0.00 0.00 176.83 176.03 2km6 h PHE 27 N -0.65 -0.01 -0.48 3.45 3.04 -0.66 0.20 116.94 121.82 2km6 h PHE 27 Ca -0.02 0.05 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 2km6 h PHE 27 Cb 0.48 0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.07 2km6 h PHE 27 CO 0.05 -0.17 0.17 0.87 -2.02 0.00 0.00 178.31 177.21 2km6 h LYS 28 N 0.13 0.70 -0.03 1.11 1.57 -0.92 -0.47 116.57 118.67 2km6 h LYS 28 Ca 0.35 -0.11 -0.22 0.00 -1.87 0.00 0.00 60.65 58.80 2km6 h LYS 28 Cb 0.58 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2km6 h LYS 28 CO -0.55 0.60 -0.88 1.03 -0.57 0.00 0.00 179.45 179.07 2km6 h SER 29 N 0.69 0.54 0.07 0.86 0.87 -1.00 -1.61 113.55 113.98 2km6 h SER 29 Ca 0.16 -0.41 -0.14 0.00 -1.23 0.00 0.00 61.79 60.17 2km6 h SER 29 Cb 0.18 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2km6 h SER 29 CO -0.01 1.20 -0.49 -0.07 -0.53 0.00 0.00 176.83 176.92 2km6 h LEU 30 N 0.26 0.52 -1.29 2.23 3.38 -0.74 -2.09 115.31 117.59 2km6 h LEU 30 Ca -0.07 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 2km6 h LEU 30 Cb 1.51 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 2km6 h LEU 30 CO 0.15 0.93 -0.21 0.25 0.09 0.00 0.00 178.44 179.65 2km6 h LEU 31 N 0.38 0.21 -0.94 1.67 5.85 -0.97 -1.91 115.31 119.60 2km6 h LEU 31 Ca 0.02 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2km6 h LEU 31 Cb 1.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2km6 h LEU 31 CO 0.09 0.44 0.00 1.87 -0.34 0.00 0.00 178.44 180.50 2km6 n TRP 32 N -4.20 0.11 0.29 1.25 -0.00 -0.62 -3.59 117.44 110.67 2km6 n TRP 32 Ca -0.01 -0.05 0.09 0.00 -0.00 0.00 0.00 57.50 57.53 2km6 n TRP 32 Cb 0.33 0.00 -0.13 0.00 -0.00 0.00 0.00 31.31 31.51 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 0.14 3.26 -2.69 5.87 0.00 -0.73 -4.95 120.51 121.42 2km6 n ALA 33 Ca 0.17 -0.46 -0.26 0.00 0.00 0.00 0.00 53.44 52.89 2km6 n ALA 33 Cb 0.31 -0.64 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 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 -3.07 3.49 -0.26 0.00 -0.12 -1.12 -5.01 117.98 111.89 2km6 s PHE 34 Ca -0.02 0.39 -0.28 0.00 -0.05 0.00 0.00 56.93 56.97 2km6 s PHE 34 Cb 0.12 -1.91 -0.04 0.00 -0.63 0.00 0.00 43.02 40.57 2km6 s PHE 34 CO 0.75 0.25 2.03 -1.25 -0.05 0.00 0.00 175.22 176.95 2km6 s PRO 35 N -3.75 3.25 -0.25 1.99 0.04 -1.26 -4.92 135.00 130.09 2km6 s PRO 35 Ca 0.40 1.78 -0.29 0.00 0.04 0.00 0.00 61.00 62.93 2km6 s PRO 35 Cb -0.10 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.15 2km6 s PRO 35 CO 0.32 -1.96 1.17 -0.51 0.04 0.00 0.00 177.00 176.05 2km6 s LEU 36 N 7.57 4.03 -0.23 -3.56 1.43 -1.26 -4.98 118.68 121.68 2km6 s LEU 36 Ca 0.91 1.34 -0.20 0.00 -1.03 0.00 0.00 54.13 55.15 2km6 s LEU 36 Cb -0.29 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.37 2km6 s LEU 36 CO 0.34 -0.84 0.59 -1.61 0.23 0.00 0.00 176.35 175.06 2km6 s GLU 37 N 3.62 4.14 0.25 1.70 2.02 -1.26 -4.12 118.70 125.05 2km6 s GLU 37 Ca 0.50 0.51 0.00 0.00 0.02 0.00 0.00 54.97 56.00 2km6 s GLU 37 Cb -0.16 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.45 2km6 s GLU 37 CO 0.15 -0.32 0.00 -3.47 0.02 0.00 0.00 175.26 171.64 2km6 n ASP 38 N 5.37 0.00 0.14 -0.19 2.03 -1.26 -0.51 116.55 122.12 2km6 n ASP 38 Ca -0.02 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.30 2km6 n ASP 38 Cb 0.49 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.98 2km6 n ASP 38 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2km6 h VAL 39 N 0.00 1.09 0.00 5.18 3.04 -1.96 -2.95 116.25 120.66 2km6 h VAL 39 Ca 0.00 -2.29 0.00 0.00 -1.01 0.00 0.00 66.70 63.40 2km6 h VAL 39 Cb 0.00 2.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 2km6 h VAL 39 CO 0.00 0.57 0.00 -0.07 -1.01 0.00 0.00 177.57 177.06 2km6 h LEU 40 N 0.00 0.00 -1.28 3.16 -0.00 -1.09 -1.87 115.31 114.23 2km6 h LEU 40 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.82 2km6 h LEU 40 Cb 1.32 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.97 2km6 h LEU 40 CO 0.08 0.00 -0.25 -0.61 -0.00 0.00 0.00 178.44 177.66 2km6 h GLN 41 N 0.00 0.00 -0.40 1.13 -0.00 -1.67 -2.53 115.11 111.64 2km6 h GLN 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2km6 h GLN 41 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.92 2km6 h GLN 41 CO 0.00 0.25 0.00 0.36 0.00 0.00 0.00 178.83 179.44 2km6 n LYS 42 N -3.53 3.04 -1.69 1.69 2.85 -0.71 -5.01 118.16 114.79 2km6 n LYS 42 Ca -0.01 -2.44 -0.55 0.00 -1.05 0.00 0.00 58.31 54.26 2km6 n LYS 42 Cb 0.40 -1.55 -0.07 0.00 -0.65 0.00 0.00 35.03 33.17 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 0.43 0.30 -1.75 0.58 -1.04 -0.96 -4.79 114.28 107.07 2km6 n THR 43 Ca 0.17 -0.05 -0.27 0.00 -2.04 0.00 0.00 64.05 61.86 2km6 n THR 43 Cb 0.64 -1.28 -0.05 0.00 -1.82 0.00 0.00 70.33 67.83 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 3.21 2.12 0.40 -2.82 0.04 -1.26 -4.76 135.00 131.92 2km6 s PRO 44 Ca 0.96 0.63 0.16 0.00 0.04 0.00 0.00 61.00 62.79 2km6 s PRO 44 Cb -1.00 -4.71 0.84 0.00 0.04 0.00 0.00 34.50 29.68 2km6 s PRO 44 CO 0.61 -3.59 1.85 2.35 0.04 0.00 0.00 177.00 178.26 2km6 h TRP 45 N 14.89 0.00 -0.49 0.56 2.91 -1.98 -1.48 115.95 130.36 2km6 h TRP 45 Ca -0.10 0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.00 2km6 h TRP 45 Cb 1.11 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.73 2km6 h TRP 45 CO 1.09 0.33 0.33 1.03 -1.03 0.00 0.00 178.44 180.19 2km6 h SER 46 N 0.00 0.32 0.02 2.65 0.87 -1.99 0.40 113.55 115.81 2km6 h SER 46 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2km6 h SER 46 Cb 0.64 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2km6 h SER 46 CO 0.04 0.20 -0.10 -0.33 -0.53 0.00 0.00 176.83 176.12 2km6 h GLU 47 N 0.36 0.03 -0.46 2.24 5.08 -1.70 -3.36 114.58 116.78 2km6 h GLU 47 Ca 0.22 -0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.63 2km6 h GLU 47 Cb 0.41 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2km6 h GLU 47 CO -0.05 1.03 0.32 -0.39 -1.00 0.00 0.00 179.01 178.91 2km6 h VAL 48 N -0.93 0.84 0.13 3.13 -1.51 -0.40 0.45 116.25 117.96 2km6 h VAL 48 Ca -0.02 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 2km6 h VAL 48 Cb 1.07 0.68 -0.02 0.00 -2.13 0.00 0.00 31.29 30.89 2km6 h VAL 48 CO 0.02 0.03 -0.31 -0.33 -1.23 0.00 0.00 177.57 175.75 2km6 h GLU 49 N 0.15 -0.46 0.00 5.19 5.08 -0.39 -3.02 114.58 121.13 2km6 h GLU 49 Ca 0.22 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2km6 h GLU 49 Cb 0.66 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2km6 h GLU 49 CO -0.03 -0.31 -0.28 0.93 -1.00 0.00 0.00 179.01 178.32 2km6 h GLU 50 N -0.48 0.00 -6.68 2.33 5.08 -1.63 -3.45 114.58 109.76 2km6 h GLU 50 Ca -0.01 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.82 2km6 h GLU 50 Cb 0.46 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.76 2km6 h GLU 50 CO -0.14 0.00 0.80 0.00 -1.00 0.00 0.00 179.01 178.67 2km6 s ALA 51 N -3.20 3.68 0.02 3.43 0.00 0.11 -5.01 121.76 120.79 2km6 s ALA 51 Ca 0.07 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.38 2km6 s ALA 51 Cb 0.09 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 2km6 s ALA 51 CO 0.68 -0.75 -0.10 0.16 0.00 0.00 0.00 175.76 175.75 2km6 s ASP 52 N 0.71 1.21 0.44 0.00 1.47 -1.26 -4.64 116.67 114.60 2km6 s ASP 52 Ca 0.64 -0.34 0.00 0.00 1.18 0.00 0.00 52.55 54.03 2km6 s ASP 52 Cb -0.42 -0.08 0.00 0.00 -0.34 0.00 0.00 42.92 42.08 2km6 s ASP 52 CO 0.38 0.02 0.00 0.61 0.68 0.00 0.00 175.17 176.86 2km6 n GLY 53 N 2.24 0.62 0.22 2.12 0.00 -1.25 -0.85 105.19 108.29 2km6 n GLY 53 Ca -0.17 0.75 -0.05 0.00 0.00 0.00 0.00 46.02 46.56 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 0.60 -0.56 1.61 3.11 -1.81 -1.40 116.57 118.11 2km6 h LYS 54 Ca 0.00 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 57.77 2km6 h LYS 54 Cb 0.00 -0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 31.07 2km6 h LYS 54 CO 0.00 0.39 0.21 0.87 -2.81 0.00 0.00 179.45 178.11 2km6 h LYS 55 N 0.61 0.82 -0.32 1.90 1.79 -1.36 -1.15 116.57 118.86 2km6 h LYS 55 Ca 0.23 -0.13 -0.18 0.00 -2.18 0.00 0.00 60.65 58.39 2km6 h LYS 55 Cb 0.07 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.57 2km6 h LYS 55 CO -0.12 0.69 -0.50 1.25 -1.08 0.00 0.00 179.45 179.69 2km6 h LEU 56 N 0.81 0.99 -1.34 2.94 5.85 -1.40 -2.72 115.31 120.43 2km6 h LEU 56 Ca 0.19 -0.51 0.05 0.00 0.84 0.00 0.00 57.88 58.45 2km6 h LEU 56 Cb 0.19 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2km6 h LEU 56 CO -0.01 1.32 0.48 0.00 -0.34 0.00 0.00 178.44 179.88 2km6 h ALA 57 N 0.71 1.64 -0.57 1.25 0.00 -0.78 -0.72 119.26 120.78 2km6 h ALA 57 Ca 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2km6 h ALA 57 Cb 1.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2km6 h ALA 57 CO 0.12 0.27 0.19 1.49 0.00 0.00 0.00 179.25 181.31 2km6 h GLU 58 N 0.82 0.84 0.00 0.00 4.81 -0.95 -2.04 114.58 118.07 2km6 h GLU 58 Ca 0.30 -0.15 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 2km6 h GLU 58 Cb 0.16 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2km6 h GLU 58 CO -0.09 0.72 -0.65 0.82 -0.73 0.00 0.00 179.01 179.08 2km6 h ILE 59 N 0.82 1.38 -0.27 2.32 2.04 -0.86 -1.03 117.51 121.91 2km6 h ILE 59 Ca 0.19 -2.29 -0.08 0.00 1.00 0.00 0.00 64.86 63.68 2km6 h ILE 59 Cb 0.22 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 2km6 h ILE 59 CO -0.01 0.64 -0.15 -0.07 0.00 0.00 0.00 178.15 178.56 2km6 h LEU 60 N 0.00 0.60 -0.14 1.44 -0.00 -0.83 -2.90 115.31 113.48 2km6 h LEU 60 Ca -0.01 -0.42 0.00 0.00 -0.00 0.00 0.00 57.88 57.46 2km6 h LEU 60 Cb 1.21 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 2km6 h LEU 60 CO 0.08 0.88 -0.02 0.55 -0.00 0.00 0.00 178.44 179.93 2km6 n VAL 61 N -4.43 0.00 0.10 1.22 3.14 -0.83 -2.92 118.33 114.61 2km6 n VAL 61 Ca -0.04 -0.04 -0.15 0.00 -2.96 0.00 0.00 64.34 61.16 2km6 n VAL 61 Cb 0.37 -0.32 -0.12 0.00 -1.06 0.00 0.00 33.84 32.71 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 0.33 0.43 0.00 6.55 -0.73 -0.98 -3.42 115.58 117.77 2km6 h ASN 62 Ca 0.00 -0.43 0.00 0.00 1.87 0.00 0.00 56.30 57.74 2km6 h ASN 62 Cb 0.19 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.65 2km6 h ASN 62 CO 0.00 1.31 -0.11 0.35 -0.37 0.00 0.00 177.43 178.62 2km6 n THR 63 N -3.57 0.17 -2.67 -3.57 -2.24 -1.15 -5.07 114.28 96.19 2km6 n THR 63 Ca -0.08 0.46 -0.22 0.00 -2.27 0.00 0.00 64.05 61.94 2km6 n THR 63 Cb 0.98 -1.60 0.07 0.00 -2.10 0.00 0.00 70.33 67.68 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 -4.13 4.89 0.44 3.42 0.01 -1.16 -5.01 113.70 112.16 2km6 s SER 64 Ca -0.03 -0.26 -0.15 0.00 1.31 0.00 0.00 55.95 56.83 2km6 s SER 64 Cb 0.00 -0.39 -0.08 0.00 0.21 0.00 0.00 66.02 65.76 2km6 s SER 64 CO 0.05 -1.45 0.87 -0.44 0.41 0.00 0.00 173.24 172.68 2km6 s SER 65 N -4.58 6.64 0.37 2.44 0.01 -1.26 -4.72 113.70 112.60 2km6 s SER 65 Ca 0.61 1.39 0.11 0.00 1.31 0.00 0.00 55.95 59.37 2km6 s SER 65 Cb -0.08 -2.43 0.89 0.00 0.21 0.00 0.00 66.02 64.61 2km6 s SER 65 CO 0.41 -0.44 1.85 1.05 0.41 0.00 0.00 173.24 176.52 2km6 h GLU 66 N 1.33 0.60 -0.27 12.44 -0.00 -1.97 -0.64 114.58 126.08 2km6 h GLU 66 Ca -0.47 -0.04 -0.03 0.00 -0.00 0.00 0.00 59.36 58.83 2km6 h GLU 66 Cb 1.18 -0.13 -0.01 0.00 -0.00 0.00 0.00 28.75 29.78 2km6 h GLU 66 CO 0.63 0.40 0.05 -0.97 -0.00 0.00 0.00 179.01 179.12 2km6 h ASN 67 N 0.62 0.34 0.11 3.06 -1.24 -1.96 0.41 115.58 116.92 2km6 h ASN 67 Ca 0.47 -0.04 -0.18 0.00 0.71 0.00 0.00 56.30 57.26 2km6 h ASN 67 Cb 0.88 -0.09 0.01 0.00 0.73 0.00 0.00 38.32 39.85 2km6 h ASN 67 CO -0.22 0.36 -0.87 -0.25 -1.29 0.00 0.00 177.43 175.16 2km6 h TRP 68 N 0.38 0.42 -0.74 0.67 7.01 -1.54 -3.33 115.95 118.82 2km6 h TRP 68 Ca 0.09 -0.30 -0.05 0.00 2.11 0.00 0.00 58.89 60.74 2km6 h TRP 68 Cb 0.17 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.18 2km6 h TRP 68 CO 0.00 1.34 0.26 0.82 -2.79 0.00 0.00 178.44 178.07 2km6 h ILE 69 N -0.48 1.26 0.00 2.65 2.04 -0.78 0.14 117.51 122.34 2km6 h ILE 69 Ca -0.17 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 2km6 h ILE 69 Cb 1.56 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 2km6 h ILE 69 CO 0.09 0.34 -0.02 0.08 0.00 0.00 0.00 178.15 178.64 2km6 h ARG 70 N 1.09 0.00 0.03 2.37 0.11 -0.33 0.56 114.38 118.22 2km6 h ARG 70 Ca 0.24 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.95 2km6 h ARG 70 Cb 0.26 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.28 2km6 h ARG 70 CO -0.01 0.02 -2.32 -1.71 0.10 0.00 0.00 179.97 176.04 2km6 n ASN 71 N -3.21 1.66 0.20 0.08 5.15 -0.86 -4.28 115.26 114.01 2km6 n ASN 71 Ca -0.02 -0.02 -0.15 0.00 -0.60 0.00 0.00 54.58 53.80 2km6 n ASN 71 Cb 0.16 -0.28 -0.07 0.00 -0.53 0.00 0.00 39.78 39.06 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 0.22 -0.57 -0.39 5.20 0.00 0.42 -1.40 119.26 122.73 2km6 h ALA 72 Ca -0.53 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 2km6 h ALA 72 Cb 1.99 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 20.10 2km6 h ALA 72 CO -0.02 -0.84 0.09 0.00 0.00 0.00 0.00 179.25 178.47 2km6 h THR 73 N -0.58 1.18 -0.30 0.00 1.03 -1.19 -2.25 112.91 110.81 2km6 h THR 73 Ca -0.02 -0.64 -0.03 0.00 -0.01 0.00 0.00 66.41 65.71 2km6 h THR 73 Cb 0.51 0.79 -0.01 0.00 -1.07 0.00 0.00 68.15 68.37 2km6 h THR 73 CO -0.01 0.23 0.08 0.58 -0.01 0.00 0.00 175.52 176.39 2km6 h VAL 74 N 0.56 1.21 -0.56 0.00 2.07 -1.69 -2.41 116.25 115.44 2km6 h VAL 74 Ca 0.13 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2km6 h VAL 74 Cb 0.23 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2km6 h VAL 74 CO -0.00 0.23 0.35 -1.13 0.02 0.00 0.00 177.57 177.04 2km6 h ASN 75 N 0.32 0.65 -0.32 0.57 -0.00 -0.67 0.20 115.58 116.32 2km6 h ASN 75 Ca 0.09 -0.03 -0.08 0.00 -0.00 0.00 0.00 56.30 56.29 2km6 h ASN 75 Cb 0.27 -0.16 -0.01 0.00 -0.00 0.00 0.00 38.32 38.42 2km6 h ASN 75 CO -0.00 0.49 -0.11 0.40 -0.00 0.00 0.00 177.43 178.20 2km6 h ILE 76 N 0.76 1.29 -0.79 2.57 1.08 -1.25 -0.20 117.51 120.97 2km6 h ILE 76 Ca 0.20 -1.19 -0.03 0.00 -0.39 0.00 0.00 64.86 63.45 2km6 h ILE 76 Cb -0.05 1.39 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 2km6 h ILE 76 CO -0.04 0.39 0.37 -0.07 -0.69 0.00 0.00 178.15 178.11 2km6 h LEU 77 N 0.41 1.03 -0.83 1.44 3.38 -0.73 -0.83 115.31 119.18 2km6 h LEU 77 Ca 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2km6 h LEU 77 Cb 0.63 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2km6 h LEU 77 CO 0.04 0.87 0.54 -0.33 0.09 0.00 0.00 178.44 179.65 2km6 h GLU 78 N 1.13 1.11 0.00 1.13 4.39 -0.44 0.33 114.58 122.22 2km6 h GLU 78 Ca 0.27 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 2km6 h GLU 78 Cb 0.12 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2km6 h GLU 78 CO -0.03 0.75 -0.03 0.93 -1.16 0.00 0.00 179.01 179.46 2km6 h GLU 79 N 1.13 0.00 -0.12 2.33 4.39 -0.14 -1.65 114.58 120.52 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 -0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2km6 h GLU 79 CO -0.06 0.03 0.00 -1.33 -1.16 0.00 0.00 179.01 176.49 2km6 n MET 80 N -3.16 2.06 -1.70 2.33 2.81 -0.40 -4.92 117.12 114.14 2km6 n MET 80 Ca -0.00 -1.56 -0.15 0.00 -1.81 0.00 0.00 57.70 54.18 2km6 n MET 80 Cb 0.27 -1.46 -0.05 0.00 -0.71 0.00 0.00 33.22 31.27 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 0.84 -4.68 -4.58 7.83 5.15 -0.62 -4.95 115.26 114.25 2km6 n ASN 81 Ca 0.17 0.25 -0.42 0.00 -0.60 0.00 0.00 54.58 53.97 2km6 n ASN 81 Cb 0.48 -3.59 -0.05 0.00 -0.53 0.00 0.00 39.78 36.10 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 -3.63 4.11 -0.22 1.20 1.43 -0.02 -4.86 118.68 116.69 2km6 s LEU 82 Ca 0.00 0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.29 2km6 s LEU 82 Cb 0.00 -3.08 -0.09 0.00 0.03 0.00 0.00 46.19 43.05 2km6 s LEU 82 CO 0.00 -0.81 -0.32 0.35 0.23 0.00 0.00 176.35 175.81 2km6 n THR 83 N 5.93 1.39 0.00 5.49 -2.24 -1.26 -4.25 114.28 119.33 2km6 n THR 83 Ca 0.04 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2km6 n THR 83 Cb 0.48 -1.97 0.00 0.00 -2.10 0.00 0.00 70.33 66.74 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 -4.18 0.00 0.19 -0.78 0.00 -1.26 0.20 120.64 114.80 2km6 n GLU 84 Ca -0.37 0.85 0.14 0.00 0.00 0.00 0.00 57.16 57.78 2km6 n GLU 84 Cb 0.72 -1.50 0.52 0.00 0.00 0.00 0.00 31.44 31.18 2km6 n GLU 84 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.13 178.50 2km6 h LEU 85 N 0.00 0.00 -0.17 -1.84 -0.00 -2.00 -2.60 115.31 108.70 2km6 h LEU 85 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.66 2km6 h LEU 85 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 2km6 h LEU 85 CO 0.00 0.00 -0.96 0.00 -0.00 0.00 0.00 178.44 177.48 2km6 n LYS 87 N -3.65 0.10 0.08 0.00 5.02 0.13 -0.45 118.16 119.40 2km6 n LYS 87 Ca -0.05 0.29 -0.22 0.00 -2.02 0.00 0.00 58.31 56.31 2km6 n LYS 87 Cb 0.86 -1.68 -0.13 0.00 -0.02 0.00 0.00 35.03 34.07 2km6 n LYS 87 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2km6 h MET 88 N 0.00 0.65 -0.34 1.97 4.05 -1.39 -2.89 114.93 116.98 2km6 h MET 88 Ca 0.00 -0.83 -0.15 0.00 -0.28 0.00 0.00 59.70 58.44 2km6 h MET 88 Cb 0.37 0.27 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 2km6 h MET 88 CO 0.00 1.38 -0.39 0.00 0.23 0.00 0.00 176.91 178.13 2km6 h ALA 89 N 0.31 0.67 0.00 0.39 0.00 -0.86 0.32 119.26 120.09 2km6 h ALA 89 Ca -0.18 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2km6 h ALA 89 Cb 1.88 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2km6 h ALA 89 CO 0.23 0.67 0.00 1.63 0.00 0.00 0.00 179.25 181.78 2km6 n LYS 90 N -4.05 0.18 -0.10 0.00 5.02 0.41 -0.60 118.16 119.02 2km6 n LYS 90 Ca -0.02 0.48 -0.12 0.00 -2.02 0.00 0.00 58.31 56.64 2km6 n LYS 90 Cb 0.53 -1.90 -0.13 0.00 -0.02 0.00 0.00 35.03 33.51 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 -1.78 1.52 -0.03 7.82 0.00 -0.92 -4.64 120.51 122.49 2km6 n ALA 91 Ca 0.01 -1.15 -0.03 0.00 0.00 0.00 0.00 53.44 52.28 2km6 n ALA 91 Cb 0.18 -0.11 -0.01 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 -2.86 0.16 0.33 0.00 1.02 0.06 -4.63 120.64 114.72 2km6 n GLU 92 Ca -0.34 0.06 -0.17 0.00 -0.02 0.00 0.00 57.16 56.69 2km6 n GLU 92 Cb 1.05 -0.78 -0.09 0.00 -0.02 0.00 0.00 31.44 31.60 2km6 n GLU 92 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2km6 h MET 93 N -0.30 -0.80 -4.45 3.49 2.86 -1.04 -3.25 114.93 111.44 2km6 h MET 93 Ca 0.00 0.05 -0.75 0.00 -2.06 0.00 0.00 59.70 56.94 2km6 h MET 93 Cb 0.30 0.18 -0.20 0.00 0.06 0.00 0.00 31.60 31.95 2km6 h MET 93 CO 0.00 -0.53 1.19 0.00 1.06 0.00 0.00 176.91 178.62 2km6 n MET 94 N -5.45 3.42 -2.66 1.72 0.00 -0.59 -4.84 117.12 108.72 2km6 n MET 94 Ca -0.13 -3.98 -0.43 0.00 0.00 0.00 0.00 57.70 53.17 2km6 n MET 94 Cb 0.34 -2.93 -0.03 0.00 0.00 0.00 0.00 33.22 30.61 2km6 n MET 94 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 2km6 s GLU 95 N 0.89 3.60 -0.96 3.17 -1.05 -1.23 -4.53 118.70 118.59 2km6 s GLU 95 Ca 0.40 0.33 -0.22 0.00 -0.15 0.00 0.00 54.97 55.34 2km6 s GLU 95 Cb -0.04 -3.95 0.07 0.00 -0.44 0.00 0.00 34.13 29.77 2km6 s GLU 95 CO -0.01 -1.43 1.33 0.34 0.95 0.00 0.00 175.26 176.43 2km6 s ASP 96 N 2.57 6.49 0.00 0.83 2.15 -1.26 -4.61 116.67 122.84 2km6 s ASP 96 Ca 0.43 -1.50 0.00 0.00 0.43 0.00 0.00 52.55 51.91 2km6 s ASP 96 Cb -0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2km6 s ASP 96 CO 0.28 -1.42 0.00 0.61 -0.17 0.00 0.00 175.17 174.48 2km6 n GLY 97 N 6.32 0.25 0.00 2.66 0.00 -1.26 -5.24 105.19 107.92 2km6 n GLY 97 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26