#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 0.87 0.11 2.03 -4.23 -1.26 -5.07 115.64 108.09 2km6 s THR 4 Ca 0.00 -0.41 -0.19 0.00 -1.18 0.00 0.00 61.69 59.92 2km6 s THR 4 Cb 0.00 -0.77 -0.06 0.00 1.34 0.00 0.00 72.50 73.00 2km6 s THR 4 CO 0.00 0.27 1.65 0.77 -0.54 0.00 0.00 174.62 176.77 2km6 h SER 5 N 6.40 0.35 -0.55 3.99 4.64 -2.04 -1.04 113.55 125.31 2km6 h SER 5 Ca -0.33 -0.16 -0.08 0.00 -0.47 0.00 0.00 61.79 60.75 2km6 h SER 5 Cb 1.17 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 2km6 h SER 5 CO 0.48 0.41 0.04 1.55 -0.87 0.00 0.00 176.83 178.44 2km6 h PRO 6 N 0.27 0.98 0.00 4.77 0.13 -1.99 -2.30 132.00 133.86 2km6 h PRO 6 Ca 0.09 -0.28 -0.09 0.00 -0.87 0.00 0.00 66.00 64.85 2km6 h PRO 6 Cb 0.17 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.18 2km6 h PRO 6 CO -0.01 0.94 -0.49 1.96 -0.23 0.00 0.00 178.00 180.18 2km6 h GLN 7 N 0.91 0.00 0.45 0.86 4.20 -1.98 0.57 115.11 120.12 2km6 h GLN 7 Ca 0.17 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 2km6 h GLN 7 Cb 0.48 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2km6 h GLN 7 CO 0.02 0.40 -0.28 1.25 -0.67 0.00 0.00 178.83 179.55 2km6 h LEU 8 N 0.00 -0.71 -0.57 1.46 5.85 -1.06 0.15 115.31 120.42 2km6 h LEU 8 Ca -0.01 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2km6 h LEU 8 Cb 1.33 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.52 2km6 h LEU 8 CO 0.05 -0.45 0.27 -0.08 -0.34 0.00 0.00 178.44 177.90 2km6 h GLU 9 N -0.70 0.49 -0.16 1.25 4.81 -1.17 0.12 114.58 119.22 2km6 h GLU 9 Ca -0.05 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2km6 h GLU 9 Cb 0.58 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 2km6 h GLU 9 CO 0.05 0.33 -0.06 2.35 -0.73 0.00 0.00 179.01 180.95 2km6 h TRP 10 N 0.51 -0.13 -0.67 0.92 7.01 -0.75 0.11 115.95 122.95 2km6 h TRP 10 Ca 0.27 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.20 2km6 h TRP 10 Cb 0.23 0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.34 2km6 h TRP 10 CO -0.12 -0.09 0.12 1.15 -2.79 0.00 0.00 178.44 176.71 2km6 h THR 11 N -0.03 1.26 0.38 2.65 2.02 0.35 0.21 112.91 119.76 2km6 h THR 11 Ca 0.08 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.21 2km6 h THR 11 Cb 0.15 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2km6 h THR 11 CO -0.18 0.39 -0.18 -0.07 0.37 0.00 0.00 175.52 175.85 2km6 h LEU 12 N 1.04 -0.43 -0.95 2.58 3.38 -0.83 -2.89 115.31 117.20 2km6 h LEU 12 Ca 0.21 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2km6 h LEU 12 Cb 0.43 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 2km6 h LEU 12 CO 0.01 -0.28 0.63 0.06 0.09 0.00 0.00 178.44 178.95 2km6 h GLN 13 N -0.55 1.26 -0.79 1.13 3.07 -0.44 -1.64 115.11 117.14 2km6 h GLN 13 Ca -0.05 -0.08 0.04 0.00 0.09 0.00 0.00 58.65 58.65 2km6 h GLN 13 Cb 0.42 -0.28 -0.05 0.00 0.08 0.00 0.00 27.48 27.65 2km6 h GLN 13 CO 0.09 0.83 0.52 1.15 0.09 0.00 0.00 178.83 181.51 2km6 h THR 14 N 1.29 1.11 -0.17 1.86 2.02 -0.87 0.48 112.91 118.63 2km6 h THR 14 Ca 0.35 -0.33 -0.17 0.00 0.77 0.00 0.00 66.41 67.04 2km6 h THR 14 Cb -0.15 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.34 2km6 h THR 14 CO -0.08 0.17 -0.54 -0.07 0.37 0.00 0.00 175.52 175.37 2km6 h LEU 15 N 0.95 0.77 -0.17 2.58 3.38 -1.17 -3.08 115.31 118.57 2km6 h LEU 15 Ca 0.32 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2km6 h LEU 15 Cb 0.07 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2km6 h LEU 15 CO -0.10 1.23 0.00 0.18 0.09 0.00 0.00 178.44 179.85 2km6 n LEU 16 N -4.14 0.40 -0.55 1.67 4.77 -0.47 -1.37 117.00 117.30 2km6 n LEU 16 Ca -0.07 0.56 0.13 0.00 -0.03 0.00 0.00 56.01 56.60 2km6 n LEU 16 Cb 0.62 -0.47 0.44 0.00 -2.33 0.00 0.00 43.42 41.69 2km6 n LEU 16 CO 0.48 -0.24 0.82 -0.62 -1.33 0.00 0.00 177.39 176.50 2km6 n GLU 17 N -1.90 1.75 -0.09 3.23 1.02 0.16 -3.65 120.64 121.16 2km6 n GLU 17 Ca 0.05 -1.11 -0.12 0.00 -0.02 0.00 0.00 57.16 55.95 2km6 n GLU 17 Cb 0.30 -1.45 -0.10 0.00 -0.02 0.00 0.00 31.44 30.17 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 0.34 0.70 -3.91 3.49 6.02 -0.47 -4.87 117.38 118.68 2km6 n GLN 18 Ca 0.18 0.09 -0.35 0.00 -0.01 0.00 0.00 57.00 56.91 2km6 n GLN 18 Cb 0.37 -1.39 -0.14 0.00 1.02 0.00 0.00 30.24 30.10 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 -5.93 3.67 0.00 1.08 0.05 -0.64 -4.83 118.68 112.08 2km6 s LEU 19 Ca -0.22 -1.08 0.00 0.00 0.05 0.00 0.00 54.13 52.87 2km6 s LEU 19 Cb 0.06 -1.72 0.00 0.00 -2.05 0.00 0.00 46.19 42.49 2km6 s LEU 19 CO 0.49 -0.21 0.00 -0.46 -0.55 0.00 0.00 176.35 175.62 2km6 n ASN 20 N 4.67 0.00 0.00 1.48 0.23 -1.26 -4.51 115.26 115.87 2km6 n ASN 20 Ca -0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.91 2km6 n ASN 20 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 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 -0.91 0.00 0.00 -3.83 2.13 -1.26 -3.24 120.64 113.52 2km6 n GLU 21 Ca 0.00 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.60 2km6 n GLU 21 Cb 0.00 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 30.41 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 -2.18 0.65 -0.01 4.31 2.03 -1.26 -4.71 116.55 115.39 2km6 n ASP 22 Ca 0.00 -0.90 -0.05 0.00 0.52 0.00 0.00 54.79 54.35 2km6 n ASP 22 Cb 0.00 0.12 0.15 0.00 -0.72 0.00 0.00 41.12 40.67 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 0.00 0.55 0.00 -0.67 4.39 -1.91 -2.80 114.58 114.14 2km6 h GLU 23 Ca 0.00 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 2km6 h GLU 23 Cb 0.10 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2km6 h GLU 23 CO 0.00 0.79 -0.16 1.25 -1.16 0.00 0.00 179.01 179.72 2km6 h LEU 24 N 0.47 0.00 -0.82 1.33 5.85 -1.79 -2.58 115.31 117.77 2km6 h LEU 24 Ca 0.06 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2km6 h LEU 24 Cb 0.75 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 2km6 h LEU 24 CO 0.06 0.16 0.46 0.11 -0.34 0.00 0.00 178.44 178.89 2km6 h LYS 25 N 0.00 1.13 0.33 1.25 6.56 -1.76 0.84 116.57 124.92 2km6 h LYS 25 Ca -0.00 -0.13 -0.02 0.00 -1.06 0.00 0.00 60.65 59.44 2km6 h LYS 25 Cb 0.61 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 2km6 h LYS 25 CO 0.02 0.83 -0.16 0.77 -2.06 0.00 0.00 179.45 178.85 2km6 h SER 26 N 1.13 -0.38 -0.39 0.86 0.02 -1.62 -2.90 113.55 110.28 2km6 h SER 26 Ca 0.29 -0.09 0.08 0.00 -0.84 0.00 0.00 61.79 61.23 2km6 h SER 26 Cb 0.02 0.10 -0.09 0.00 0.14 0.00 0.00 62.40 62.57 2km6 h SER 26 CO -0.05 -0.13 -0.20 0.15 -1.14 0.00 0.00 176.83 175.46 2km6 h PHE 27 N -0.62 -0.51 -0.40 3.45 3.04 -1.24 0.14 116.94 120.79 2km6 h PHE 27 Ca -0.05 0.04 0.05 0.00 3.98 0.00 0.00 57.97 62.00 2km6 h PHE 27 Cb 0.45 0.28 -0.04 0.00 2.56 0.00 0.00 35.95 39.20 2km6 h PHE 27 CO -0.01 -0.28 0.14 0.87 -2.02 0.00 0.00 178.31 177.01 2km6 h LYS 28 N -0.13 0.29 0.00 1.11 1.57 -0.88 -0.41 116.57 118.12 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 0.43 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2km6 h LYS 28 CO -0.47 0.19 -0.00 0.77 -0.57 0.00 0.00 179.45 179.37 2km6 h SER 29 N 0.30 -0.00 -0.81 0.86 0.02 -1.18 -2.04 113.55 110.70 2km6 h SER 29 Ca 0.18 -0.29 0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2km6 h SER 29 Cb 0.16 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.65 2km6 h SER 29 CO -0.18 0.28 0.53 -0.07 -1.14 0.00 0.00 176.83 176.25 2km6 h LEU 30 N -0.29 0.82 -1.47 5.07 3.38 -0.51 0.13 115.31 122.44 2km6 h LEU 30 Ca -0.00 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2km6 h LEU 30 Cb 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2km6 h LEU 30 CO 0.00 0.54 -0.26 0.25 0.09 0.00 0.00 178.44 179.06 2km6 h LEU 31 N 0.94 0.00 -1.86 1.67 5.85 -0.98 -1.63 115.31 119.30 2km6 h LEU 31 Ca 0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2km6 h LEU 31 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2km6 h LEU 31 CO -0.11 0.26 0.00 1.87 -0.34 0.00 0.00 178.44 180.12 2km6 n TRP 32 N -3.92 0.48 -0.10 1.25 -0.00 0.32 -4.02 117.44 111.46 2km6 n TRP 32 Ca -0.02 -0.24 -0.11 0.00 -0.00 0.00 0.00 57.50 57.13 2km6 n TRP 32 Cb 0.34 0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.53 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 1.03 1.55 -1.58 5.87 0.00 -0.42 -4.97 120.51 121.99 2km6 n ALA 33 Ca 0.18 -1.08 -0.30 0.00 0.00 0.00 0.00 53.44 52.23 2km6 n ALA 33 Cb 0.48 -0.08 0.07 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.43 2.99 -0.43 0.00 -0.12 -0.98 -4.94 117.98 112.07 2km6 s PHE 34 Ca -0.17 1.28 -0.28 0.00 -0.05 0.00 0.00 56.93 57.71 2km6 s PHE 34 Cb 0.06 -3.00 -0.01 0.00 -0.63 0.00 0.00 43.02 39.44 2km6 s PHE 34 CO 0.64 -1.48 1.74 -1.25 -0.05 0.00 0.00 175.22 174.82 2km6 s PRO 35 N -5.11 3.17 -0.02 1.99 0.04 -1.26 -4.96 135.00 128.86 2km6 s PRO 35 Ca 0.59 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 2km6 s PRO 35 Cb -0.14 -4.22 -0.05 0.00 0.04 0.00 0.00 34.50 30.13 2km6 s PRO 35 CO 0.55 -2.06 1.35 -0.51 0.04 0.00 0.00 177.00 176.37 2km6 s LEU 36 N 7.25 4.30 -0.26 -3.56 1.02 -1.26 -4.98 118.68 121.20 2km6 s LEU 36 Ca 0.72 2.03 -0.18 0.00 0.02 0.00 0.00 54.13 56.73 2km6 s LEU 36 Cb -0.18 -3.56 -0.03 0.00 0.02 0.00 0.00 46.19 42.44 2km6 s LEU 36 CO 0.30 -0.69 0.50 -1.61 0.02 0.00 0.00 176.35 174.87 2km6 s GLU 37 N 2.39 4.07 0.00 1.70 2.02 -1.26 -4.71 118.70 122.91 2km6 s GLU 37 Ca 0.62 0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.91 2km6 s GLU 37 Cb -0.29 -3.65 0.00 0.00 0.10 0.00 0.00 34.13 30.29 2km6 s GLU 37 CO 0.25 -0.33 0.00 -3.47 0.02 0.00 0.00 175.26 171.73 2km6 n ASP 38 N 5.47 0.00 0.26 -0.19 2.03 -1.26 -0.99 116.55 121.86 2km6 n ASP 38 Ca -0.04 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.38 2km6 n ASP 38 Cb 0.50 0.00 0.70 0.00 -0.72 0.00 0.00 41.12 41.60 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 0.62 0.00 5.18 3.04 -1.91 -1.19 116.25 121.99 2km6 h VAL 39 Ca 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 2km6 h VAL 39 Cb 0.00 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 2km6 h VAL 39 CO 0.00 0.12 0.00 0.18 -1.01 0.00 0.00 177.57 176.86 2km6 n LEU 40 N -3.71 0.72 0.00 3.16 4.32 -0.16 -1.59 117.00 119.74 2km6 n LEU 40 Ca -0.02 0.66 0.12 0.00 -0.02 0.00 0.00 56.01 56.75 2km6 n LEU 40 Cb 0.24 -0.55 0.57 0.00 -1.62 0.00 0.00 43.42 42.06 2km6 n LEU 40 CO 0.31 -0.53 0.90 0.00 -1.22 0.00 0.00 177.39 176.84 2km6 n GLN 41 N -2.28 0.18 0.06 3.23 6.02 -0.45 -2.18 117.38 121.97 2km6 n GLN 41 Ca 0.02 0.07 0.01 0.00 -0.01 0.00 0.00 57.00 57.09 2km6 n GLN 41 Cb 0.25 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.96 2km6 n GLN 41 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2km6 h LYS 42 N 0.00 0.00 -6.06 -1.09 3.64 -1.45 -3.47 116.57 108.13 2km6 h LYS 42 Ca 0.00 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.68 2km6 h LYS 42 Cb 0.32 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2km6 h LYS 42 CO 0.00 0.35 1.20 2.41 -2.27 0.00 0.00 179.45 181.14 2km6 n THR 43 N -2.98 0.24 -2.19 1.00 -1.04 -0.93 -4.87 114.28 103.51 2km6 n THR 43 Ca -0.06 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.05 61.39 2km6 n THR 43 Cb 0.80 -1.38 -0.03 0.00 -1.82 0.00 0.00 70.33 67.90 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 5.10 3.16 0.42 -2.82 0.04 -1.26 -4.87 135.00 134.77 2km6 s PRO 44 Ca 1.06 0.80 0.12 0.00 0.04 0.00 0.00 61.00 63.02 2km6 s PRO 44 Cb -1.00 -4.20 0.90 0.00 0.04 0.00 0.00 34.50 30.25 2km6 s PRO 44 CO 0.57 -2.09 1.96 2.35 0.04 0.00 0.00 177.00 179.83 2km6 h TRP 45 N 12.54 0.10 -0.13 0.56 2.91 -1.98 -1.87 115.95 128.07 2km6 h TRP 45 Ca -0.28 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 59.76 2km6 h TRP 45 Cb 1.13 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.75 2km6 h TRP 45 CO 1.01 0.26 0.10 0.77 -1.03 0.00 0.00 178.44 179.55 2km6 h SER 46 N 0.10 0.00 0.13 2.65 0.02 -2.00 0.49 113.55 114.95 2km6 h SER 46 Ca 0.02 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.79 2km6 h SER 46 Cb 0.35 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.91 2km6 h SER 46 CO 0.02 0.00 -0.79 -0.33 -1.14 0.00 0.00 176.83 174.59 2km6 h GLU 47 N 0.00 0.30 -0.89 3.45 4.39 -1.77 -3.29 114.58 116.77 2km6 h GLU 47 Ca 0.06 -0.50 0.13 0.00 0.34 0.00 0.00 59.36 59.39 2km6 h GLU 47 Cb 0.25 0.19 -0.09 0.00 -0.10 0.00 0.00 28.75 29.00 2km6 h GLU 47 CO -0.00 1.24 0.51 0.28 -1.16 0.00 0.00 179.01 179.87 2km6 h VAL 48 N -0.38 0.83 0.03 3.13 2.07 -0.53 0.13 116.25 121.53 2km6 h VAL 48 Ca -0.14 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.15 2km6 h VAL 48 Cb 1.62 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 2km6 h VAL 48 CO 0.15 0.14 -0.33 -0.33 0.02 0.00 0.00 177.57 177.22 2km6 h GLU 49 N 0.77 -0.49 0.00 1.57 5.08 -0.22 -3.05 114.58 118.25 2km6 h GLU 49 Ca 0.46 0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.66 2km6 h GLU 49 Cb 0.54 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2km6 h GLU 49 CO -0.31 -0.32 -0.93 0.93 -1.00 0.00 0.00 179.01 177.38 2km6 h GLU 50 N -0.50 0.01 -6.99 2.33 4.39 -1.45 -3.45 114.58 108.91 2km6 h GLU 50 Ca 0.05 -0.01 -0.50 0.00 0.34 0.00 0.00 59.36 59.24 2km6 h GLU 50 Cb 0.58 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.29 2km6 h GLU 50 CO -0.25 0.93 0.48 0.00 -1.16 0.00 0.00 179.01 179.01 2km6 s ALA 51 N -2.88 3.00 0.03 3.43 0.00 0.37 -5.04 121.76 120.67 2km6 s ALA 51 Ca 0.00 0.92 0.01 0.00 0.00 0.00 0.00 51.96 52.89 2km6 s ALA 51 Cb 0.10 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2km6 s ALA 51 CO 0.81 -0.60 -0.04 0.16 0.00 0.00 0.00 175.76 176.08 2km6 s ASP 52 N -1.36 0.43 0.35 0.00 -4.77 -1.26 -4.74 116.67 105.31 2km6 s ASP 52 Ca 0.62 -0.55 0.00 0.00 -3.30 0.00 0.00 52.55 49.33 2km6 s ASP 52 Cb -0.28 0.09 0.00 0.00 -1.09 0.00 0.00 42.92 41.64 2km6 s ASP 52 CO 0.34 -0.29 0.00 0.61 0.70 0.00 0.00 175.17 176.53 2km6 n GLY 53 N 1.46 1.08 0.27 2.12 0.00 -1.25 -0.69 105.19 108.18 2km6 n GLY 53 Ca -0.23 0.70 -0.04 0.00 0.00 0.00 0.00 46.02 46.45 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 0.86 -0.36 1.61 3.11 -1.79 -1.93 116.57 118.06 2km6 h LYS 54 Ca 0.00 -0.05 -0.07 0.00 -2.81 0.00 0.00 60.65 57.72 2km6 h LYS 54 Cb 0.00 -0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 31.02 2km6 h LYS 54 CO 0.00 0.57 -0.06 0.87 -2.81 0.00 0.00 179.45 178.02 2km6 h LYS 55 N 0.88 0.58 -0.26 1.90 1.79 -1.29 -2.06 116.57 118.11 2km6 h LYS 55 Ca 0.28 -0.15 -0.12 0.00 -2.18 0.00 0.00 60.65 58.47 2km6 h LYS 55 Cb -0.01 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 2km6 h LYS 55 CO -0.10 0.65 -0.35 1.25 -1.08 0.00 0.00 179.45 179.82 2km6 h LEU 56 N 0.55 0.58 -1.49 2.94 5.85 -1.35 -2.09 115.31 120.29 2km6 h LEU 56 Ca 0.11 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2km6 h LEU 56 Cb 0.44 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2km6 h LEU 56 CO 0.02 0.88 0.30 0.00 -0.34 0.00 0.00 178.44 179.30 2km6 h ALA 57 N 1.15 1.62 -0.05 1.25 0.00 -0.98 0.48 119.26 122.73 2km6 h ALA 57 Ca 0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2km6 h ALA 57 Cb 0.83 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2km6 h ALA 57 CO 0.07 0.34 -0.36 1.49 0.00 0.00 0.00 179.25 180.79 2km6 h GLU 58 N 0.66 0.10 0.04 0.00 4.81 -0.89 -0.70 114.58 118.60 2km6 h GLU 58 Ca 0.17 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 59.12 2km6 h GLU 58 Cb -0.04 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2km6 h GLU 58 CO -0.03 0.45 -1.22 0.82 -0.73 0.00 0.00 179.01 178.30 2km6 h ILE 59 N 0.09 1.48 -0.46 2.32 2.04 -0.69 -2.65 117.51 119.64 2km6 h ILE 59 Ca 0.01 -3.17 -0.06 0.00 1.00 0.00 0.00 64.86 62.64 2km6 h ILE 59 Cb 0.68 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 39.53 2km6 h ILE 59 CO 0.05 0.87 0.04 -0.07 0.00 0.00 0.00 178.15 179.05 2km6 h LEU 60 N 0.02 0.76 0.00 1.44 -0.00 -0.55 -2.65 115.31 114.34 2km6 h LEU 60 Ca -0.10 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 2km6 h LEU 60 Cb 1.88 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 42.33 2km6 h LEU 60 CO 0.14 0.85 0.00 0.55 -0.00 0.00 0.00 178.44 179.98 2km6 n VAL 61 N -4.42 0.24 -0.05 1.22 3.14 -0.31 -1.10 118.33 117.06 2km6 n VAL 61 Ca 0.00 0.06 -0.15 0.00 -2.96 0.00 0.00 64.34 61.29 2km6 n VAL 61 Cb 0.27 -0.65 -0.07 0.00 -1.06 0.00 0.00 33.84 32.33 2km6 n VAL 61 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 2km6 h ASN 62 N 0.00 0.68 0.00 6.55 -0.73 -1.09 -3.41 115.58 117.58 2km6 h ASN 62 Ca 0.00 -0.59 -0.13 0.00 1.87 0.00 0.00 56.30 57.45 2km6 h ASN 62 Cb 0.28 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.65 2km6 h ASN 62 CO 0.00 1.15 -1.31 0.35 -0.37 0.00 0.00 177.43 177.25 2km6 n THR 63 N -4.22 0.66 -2.61 -3.57 -2.24 -1.15 -5.04 114.28 96.10 2km6 n THR 63 Ca -0.07 -0.05 -0.39 0.00 -2.27 0.00 0.00 64.05 61.28 2km6 n THR 63 Cb 0.57 -1.67 -0.05 0.00 -2.10 0.00 0.00 70.33 67.08 2km6 n THR 63 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2km6 s SER 64 N -5.86 7.27 0.45 3.42 0.01 -0.26 -4.81 113.70 113.91 2km6 s SER 64 Ca -0.12 2.06 -0.22 0.00 1.31 0.00 0.00 55.95 58.98 2km6 s SER 64 Cb 0.04 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 2km6 s SER 64 CO 0.16 -0.12 1.07 -0.44 0.41 0.00 0.00 173.24 174.32 2km6 s SER 65 N -1.23 6.46 0.26 2.44 0.01 -1.26 -4.48 113.70 115.90 2km6 s SER 65 Ca 0.47 2.06 -0.02 0.00 1.31 0.00 0.00 55.95 59.77 2km6 s SER 65 Cb -0.26 -2.58 0.51 0.00 0.21 0.00 0.00 66.02 63.90 2km6 s SER 65 CO 0.33 -0.70 1.75 1.05 0.41 0.00 0.00 173.24 176.08 2km6 h GLU 66 N 2.04 0.54 0.00 12.44 9.09 -1.95 0.13 114.58 136.88 2km6 h GLU 66 Ca -0.49 -0.03 -0.11 0.00 0.05 0.00 0.00 59.36 58.78 2km6 h GLU 66 Cb 1.22 -0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 28.19 2km6 h GLU 66 CO 0.61 0.36 -0.52 -0.97 0.05 0.00 0.00 179.01 178.54 2km6 h ASN 67 N 0.56 0.00 -0.02 3.06 -1.24 -1.99 -1.77 115.58 114.19 2km6 h ASN 67 Ca 0.45 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.39 2km6 h ASN 67 Cb 0.66 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.71 2km6 h ASN 67 CO -0.38 0.52 -0.28 -0.25 -1.29 0.00 0.00 177.43 175.75 2km6 h TRP 68 N 0.00 0.31 -0.70 0.67 7.01 -1.40 -3.31 115.95 118.53 2km6 h TRP 68 Ca -0.01 -0.16 -0.02 0.00 2.11 0.00 0.00 58.89 60.81 2km6 h TRP 68 Cb 0.94 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.93 2km6 h TRP 68 CO 0.00 0.94 0.35 0.82 -2.79 0.00 0.00 178.44 177.75 2km6 h ILE 69 N -0.40 1.23 -0.11 2.65 2.04 -0.67 -1.06 117.51 121.19 2km6 h ILE 69 Ca -0.03 -0.64 0.03 0.00 1.00 0.00 0.00 64.86 65.22 2km6 h ILE 69 Cb 1.00 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2km6 h ILE 69 CO 0.06 0.27 0.11 0.08 0.00 0.00 0.00 178.15 178.67 2km6 h ARG 70 N 0.98 0.00 0.06 2.37 0.11 -1.41 0.12 114.38 116.61 2km6 h ARG 70 Ca 0.24 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 60.02 2km6 h ARG 70 Cb 0.11 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.16 2km6 h ARG 70 CO -0.03 0.00 -1.68 -1.71 0.10 0.00 0.00 179.97 176.64 2km6 n ASN 71 N -3.90 2.00 -0.06 0.08 5.15 -0.98 -4.26 115.26 113.30 2km6 n ASN 71 Ca -0.00 0.31 -0.08 0.00 -0.60 0.00 0.00 54.58 54.20 2km6 n ASN 71 Cb 0.22 -0.91 -0.02 0.00 -0.53 0.00 0.00 39.78 38.55 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 -0.21 0.24 -0.20 5.20 0.00 -0.05 -2.15 119.26 122.09 2km6 h ALA 72 Ca -0.40 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2km6 h ALA 72 Cb 1.69 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2km6 h ALA 72 CO -0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 179.25 178.79 2km6 h THR 73 N 0.14 1.14 -0.20 0.00 1.03 -1.04 -2.26 112.91 111.72 2km6 h THR 73 Ca 0.11 -0.56 -0.02 0.00 -0.01 0.00 0.00 66.41 65.93 2km6 h THR 73 Cb 0.11 1.02 -0.01 0.00 -1.07 0.00 0.00 68.15 68.20 2km6 h THR 73 CO -0.15 0.18 0.03 0.58 -0.01 0.00 0.00 175.52 176.16 2km6 h VAL 74 N 0.28 1.23 -0.66 0.00 2.07 -1.58 -1.62 116.25 115.96 2km6 h VAL 74 Ca 0.07 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2km6 h VAL 74 Cb 0.23 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2km6 h VAL 74 CO 0.01 0.23 0.36 -1.13 0.02 0.00 0.00 177.57 177.06 2km6 h ASN 75 N 0.12 0.82 -0.54 0.57 -1.24 -1.04 0.17 115.58 114.44 2km6 h ASN 75 Ca 0.06 -0.06 -0.10 0.00 0.71 0.00 0.00 56.30 56.91 2km6 h ASN 75 Cb 0.32 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.14 2km6 h ASN 75 CO 0.00 0.66 -0.05 0.40 -1.29 0.00 0.00 177.43 177.15 2km6 h ILE 76 N 0.92 1.27 -0.72 2.57 1.08 -1.23 -0.51 117.51 120.89 2km6 h ILE 76 Ca 0.24 -1.19 -0.01 0.00 -0.39 0.00 0.00 64.86 63.51 2km6 h ILE 76 Cb 0.03 0.95 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 2km6 h ILE 76 CO -0.04 0.42 0.40 -0.07 -0.69 0.00 0.00 178.15 178.17 2km6 h LEU 77 N 0.86 0.90 -0.57 1.44 3.38 -0.22 -1.64 115.31 119.46 2km6 h LEU 77 Ca 0.15 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.08 2km6 h LEU 77 Cb 0.60 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 2km6 h LEU 77 CO 0.04 0.73 0.28 -0.33 0.09 0.00 0.00 178.44 179.25 2km6 h GLU 78 N 0.99 0.52 0.00 1.13 4.39 -0.42 -0.91 114.58 120.29 2km6 h GLU 78 Ca 0.26 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 2km6 h GLU 78 Cb 0.03 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2km6 h GLU 78 CO -0.04 0.34 -0.06 0.93 -1.16 0.00 0.00 179.01 179.02 2km6 h GLU 79 N 0.54 0.00 -0.62 2.33 4.39 -0.52 -1.14 114.58 119.56 2km6 h GLU 79 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 2km6 h GLU 79 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2km6 h GLU 79 CO -0.19 0.06 0.00 -1.33 -1.16 0.00 0.00 179.01 176.39 2km6 n MET 80 N -3.41 2.53 -2.15 2.33 2.81 -0.48 -4.92 117.12 113.82 2km6 n MET 80 Ca -0.02 -2.36 -0.19 0.00 -1.81 0.00 0.00 57.70 53.32 2km6 n MET 80 Cb 0.20 -1.52 -0.03 0.00 -0.71 0.00 0.00 33.22 31.16 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 1.44 -5.39 -4.65 7.83 5.15 -0.43 -4.95 115.26 114.27 2km6 n ASN 81 Ca 0.22 0.10 -0.40 0.00 -0.60 0.00 0.00 54.58 53.90 2km6 n ASN 81 Cb 0.57 -4.47 -0.06 0.00 -0.53 0.00 0.00 39.78 35.29 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 -5.12 4.11 0.00 1.20 1.43 -0.47 -4.94 118.68 114.89 2km6 s LEU 82 Ca 0.00 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 2km6 s LEU 82 Cb 0.00 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.32 2km6 s LEU 82 CO 0.00 -0.32 0.00 0.35 0.23 0.00 0.00 176.35 176.61 2km6 n THR 83 N 4.90 0.00 -0.23 5.49 -2.24 -1.26 -4.37 114.28 116.57 2km6 n THR 83 Ca -0.01 0.39 -0.06 0.00 -2.27 0.00 0.00 64.05 62.11 2km6 n THR 83 Cb 0.49 -1.39 -0.05 0.00 -2.10 0.00 0.00 70.33 67.28 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 -2.29 -0.24 0.16 -0.78 0.28 -1.26 0.31 120.64 116.83 2km6 n GLU 84 Ca 0.00 1.06 0.04 0.00 -0.16 0.00 0.00 57.16 58.10 2km6 n GLU 84 Cb 0.00 -1.57 0.21 0.00 1.43 0.00 0.00 31.44 31.51 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 -0.46 -1.84 -0.00 -1.99 -2.15 115.31 108.87 2km6 h LEU 85 Ca 0.09 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.81 2km6 h LEU 85 Cb 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 2km6 h LEU 85 CO -0.51 0.46 -0.39 0.00 -0.00 0.00 0.00 178.44 178.01 2km6 h LYS 87 N 0.70 0.22 -0.49 0.00 1.57 0.10 0.19 116.57 118.85 2km6 h LYS 87 Ca 0.06 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2km6 h LYS 87 Cb 0.96 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 2km6 h LYS 87 CO 0.09 0.37 -0.13 1.98 -0.57 0.00 0.00 179.45 181.19 2km6 h MET 88 N 0.20 0.95 -0.30 3.15 4.05 -0.75 -2.02 114.93 120.22 2km6 h MET 88 Ca 0.04 -0.37 -0.10 0.00 -0.28 0.00 0.00 59.70 58.99 2km6 h MET 88 Cb 0.39 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 2km6 h MET 88 CO 0.02 1.04 -0.22 0.00 0.23 0.00 0.00 176.91 177.98 2km6 h ALA 89 N 0.89 1.06 0.00 0.39 0.00 0.14 0.65 119.26 122.39 2km6 h ALA 89 Ca 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2km6 h ALA 89 Cb 0.70 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2km6 h ALA 89 CO 0.05 0.57 0.00 1.63 0.00 0.00 0.00 179.25 181.50 2km6 n LYS 90 N -4.13 0.49 -0.04 0.00 5.02 0.53 -0.44 118.16 119.58 2km6 n LYS 90 Ca 0.00 0.04 -0.08 0.00 -2.02 0.00 0.00 58.31 56.25 2km6 n LYS 90 Cb 0.40 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.13 2.32 -0.01 7.82 0.00 -0.59 -0.10 120.51 128.82 2km6 n ALA 91 Ca 0.13 -0.34 -0.22 0.00 0.00 0.00 0.00 53.44 53.02 2km6 n ALA 91 Cb 0.11 0.37 -0.13 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.24 0.21 0.00 0.00 5.08 0.28 -3.39 114.58 116.53 2km6 h GLU 92 Ca -0.21 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 57.73 2km6 h GLU 92 Cb 1.21 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2km6 h GLU 92 CO -0.11 1.18 -0.34 0.52 -1.00 0.00 0.00 179.01 179.26 2km6 h MET 93 N -0.29 0.00 -4.79 2.33 2.86 -0.91 -3.44 114.93 110.69 2km6 h MET 93 Ca -0.35 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 56.69 2km6 h MET 93 Cb 1.78 0.00 -0.35 0.00 0.06 0.00 0.00 31.60 33.10 2km6 h MET 93 CO 0.03 0.72 -0.84 0.00 1.06 0.00 0.00 176.91 177.88 2km6 s MET 94 N -2.13 2.32 -1.11 1.72 0.23 -0.52 -4.90 119.30 114.92 2km6 s MET 94 Ca -0.17 -0.59 -0.21 0.00 -1.03 0.00 0.00 55.69 53.69 2km6 s MET 94 Cb 0.00 -1.98 0.07 0.00 -1.53 0.00 0.00 34.83 31.39 2km6 s MET 94 CO 0.49 -0.08 1.52 -1.21 -2.03 0.00 0.00 175.02 173.71 2km6 s GLU 95 N 1.04 3.74 0.12 3.16 2.02 -1.26 -3.32 118.70 124.19 2km6 s GLU 95 Ca -0.05 -1.50 0.00 0.00 0.02 0.00 0.00 54.97 53.44 2km6 s GLU 95 Cb -0.15 -5.37 0.00 0.00 0.10 0.00 0.00 34.13 28.71 2km6 s GLU 95 CO -0.03 -2.18 0.00 -3.47 0.02 0.00 0.00 175.26 169.60 2km6 n ASP 96 N 8.45 0.51 -2.53 -0.19 2.03 -0.74 -4.86 116.55 119.23 2km6 n ASP 96 Ca 0.38 0.19 -0.24 0.00 0.52 0.00 0.00 54.79 55.63 2km6 n ASP 96 Cb 0.49 -0.07 -0.10 0.00 -0.72 0.00 0.00 41.12 40.72 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 2.78 3.85 0.01 0.27 0.00 0.86 -5.03 105.19 107.94 2km6 n GLY 97 Ca 0.00 -1.55 0.16 0.00 0.00 0.00 0.00 46.02 44.63 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26