#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pm6 s TYR 2 N 0.00 3.03 0.15 1.12 2.02 -1.26 -2.68 117.35 119.72 1pm6 s TYR 2 Ca 0.00 0.83 0.07 0.00 -0.37 0.00 0.00 57.07 57.61 1pm6 s TYR 2 Cb 0.00 -3.71 -0.04 0.00 -0.40 0.00 0.00 41.96 37.81 1pm6 s TYR 2 CO 0.00 -2.58 -0.16 -0.48 -1.57 0.00 0.00 175.55 170.76 1pm6 s LEU 3 N 1.68 2.44 0.73 -1.29 2.34 0.30 -4.94 118.68 119.94 1pm6 s LEU 3 Ca 0.65 -0.86 -0.14 0.00 0.06 0.00 0.00 54.13 53.85 1pm6 s LEU 3 Cb -0.36 -0.67 0.04 0.00 -0.56 0.00 0.00 46.19 44.64 1pm6 s LEU 3 CO 0.29 -0.11 1.14 -0.89 -1.06 0.00 0.00 176.35 175.72 1pm6 s THR 4 N -2.23 2.83 0.25 5.48 2.01 -1.26 -0.99 115.64 121.73 1pm6 s THR 4 Ca 0.13 0.36 -0.06 0.00 0.31 0.00 0.00 61.69 62.43 1pm6 s THR 4 Cb -0.04 -2.82 0.30 0.00 0.01 0.00 0.00 72.50 69.94 1pm6 s THR 4 CO 0.05 -0.27 1.63 0.25 -0.69 0.00 0.00 174.62 175.59 1pm6 h LEU 5 N -0.50 -0.37 -0.70 4.42 6.46 -1.93 0.18 115.31 122.87 1pm6 h LEU 5 Ca -0.46 0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 57.50 1pm6 h LEU 5 Cb 1.26 0.37 -0.03 0.00 -0.73 0.00 0.00 40.66 41.52 1pm6 h LEU 5 CO 0.51 -0.20 0.42 -0.61 -0.62 0.00 0.00 178.44 177.94 1pm6 h GLN 6 N 0.09 0.96 -0.59 1.25 4.15 -1.93 -1.01 115.11 118.03 1pm6 h GLN 6 Ca 0.44 -0.09 -0.08 0.00 0.77 0.00 0.00 58.65 59.69 1pm6 h GLN 6 Cb 0.79 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 1pm6 h GLN 6 CO -0.70 0.68 0.05 0.93 -1.93 0.00 0.00 178.83 177.86 1pm6 h GLU 7 N 0.96 0.99 0.04 1.69 5.08 -1.71 -1.66 114.58 119.97 1pm6 h GLU 7 Ca 0.25 -0.27 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1pm6 h GLU 7 Cb -0.03 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 1pm6 h GLU 7 CO -0.05 0.94 -0.24 2.35 -1.00 0.00 0.00 179.01 181.01 1pm6 h TRP 8 N 0.92 -0.65 -0.46 4.33 7.01 -0.55 -1.99 115.95 124.57 1pm6 h TRP 8 Ca 0.18 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.23 1pm6 h TRP 8 Cb 0.47 0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 27.77 1pm6 h TRP 8 CO 0.03 -0.34 0.24 -0.97 -2.79 0.00 0.00 178.44 174.62 1pm6 h ASN 9 N -0.40 0.36 -0.96 2.65 -1.24 -1.19 -2.51 115.58 112.30 1pm6 h ASN 9 Ca 0.05 0.02 0.13 0.00 0.71 0.00 0.00 56.30 57.21 1pm6 h ASN 9 Cb 0.46 -0.05 -0.09 0.00 0.73 0.00 0.00 38.32 39.37 1pm6 h ASN 9 CO -0.19 0.26 0.58 0.00 -1.29 0.00 0.00 177.43 176.78 1pm6 h ALA 10 N 1.23 1.46 0.00 1.57 0.00 -1.28 -2.33 119.26 119.91 1pm6 h ALA 10 Ca 0.19 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1pm6 h ALA 10 Cb 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1pm6 h ALA 10 CO -0.12 0.12 0.00 0.07 0.00 0.00 0.00 179.25 179.32 1pm6 h ARG 11 N 0.88 0.00 -7.22 0.00 0.11 -1.19 -3.46 114.38 103.51 1pm6 h ARG 11 Ca 0.49 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 60.06 1pm6 h ARG 11 Cb 0.56 0.00 0.10 0.00 1.11 0.00 0.00 29.97 31.74 1pm6 h ARG 11 CO -0.29 0.00 0.37 -0.65 0.10 0.00 0.00 179.97 179.49 1pm6 s GLN 12 N -3.40 2.79 -0.80 0.08 -1.52 -0.88 -4.96 119.66 110.97 1pm6 s GLN 12 Ca 0.04 1.34 -0.25 0.00 -1.95 0.00 0.00 55.36 54.54 1pm6 s GLN 12 Cb 0.09 -1.95 -0.00 0.00 -0.22 0.00 0.00 33.01 30.93 1pm6 s GLN 12 CO 0.50 -1.25 1.66 0.50 -0.25 0.00 0.00 175.29 176.45 1pm6 s ARG 13 N -4.21 2.94 -0.01 2.91 3.52 -1.26 -4.09 118.95 118.75 1pm6 s ARG 13 Ca 0.66 -0.17 -0.00 0.00 -0.13 0.00 0.00 55.73 56.08 1pm6 s ARG 13 Cb -0.20 -4.70 0.00 0.00 -1.56 0.00 0.00 34.95 28.49 1pm6 s ARG 13 CO 0.43 -2.65 0.01 -2.13 -0.81 0.00 0.00 175.30 170.15 1pm6 n ARG 14 N 9.09 -0.19 -2.11 5.12 0.63 -1.26 -4.99 116.66 122.95 1pm6 n ARG 14 Ca 0.24 0.63 -0.43 0.00 -0.92 0.00 0.00 57.85 57.36 1pm6 n ARG 14 Cb 0.50 -1.20 -0.03 0.00 0.45 0.00 0.00 32.46 32.18 1pm6 n ARG 14 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1pm6 s PRO 15 N -0.56 3.74 0.00 -0.14 0.04 -1.26 -4.96 135.00 131.86 1pm6 s PRO 15 Ca -0.01 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1pm6 s PRO 15 Cb 0.00 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1pm6 s PRO 15 CO 0.04 -1.36 0.00 0.54 0.04 0.00 0.00 177.00 176.26 1pm6 n ARG 16 N 7.75 0.00 -3.53 4.56 1.74 -1.26 -5.06 116.66 120.86 1pm6 n ARG 16 Ca 0.19 0.20 -0.16 0.00 -0.77 0.00 0.00 57.85 57.31 1pm6 n ARG 16 Cb 0.45 -0.65 -0.06 0.00 -1.02 0.00 0.00 32.46 31.19 1pm6 n ARG 16 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1pm6 s SER 17 N -2.11 -0.59 0.29 0.55 0.15 -1.26 -5.03 113.70 105.70 1pm6 s SER 17 Ca 0.00 0.61 0.03 0.00 0.70 0.00 0.00 55.95 57.28 1pm6 s SER 17 Cb 0.00 0.49 0.60 0.00 -1.71 0.00 0.00 66.02 65.41 1pm6 s SER 17 CO 0.00 -0.58 1.83 -0.07 1.20 0.00 0.00 173.24 175.63 1pm6 h LEU 18 N 2.85 0.89 -1.22 3.45 4.07 -1.97 -1.76 115.31 121.61 1pm6 h LEU 18 Ca -0.26 0.05 0.08 0.00 0.08 0.00 0.00 57.88 57.83 1pm6 h LEU 18 Cb 1.15 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 42.71 1pm6 h LEU 18 CO 0.37 0.45 0.56 1.05 -1.08 0.00 0.00 178.44 179.79 1pm6 h GLU 19 N 0.94 0.88 -0.06 1.13 4.11 -1.99 -0.46 114.58 119.14 1pm6 h GLU 19 Ca 0.50 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.88 1pm6 h GLU 19 Cb 0.56 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1pm6 h GLU 19 CO -0.27 0.58 0.03 1.79 0.07 0.00 0.00 179.01 181.21 1pm6 h THR 20 N 0.91 1.09 -0.61 -1.06 1.35 -1.74 -1.56 112.91 111.30 1pm6 h THR 20 Ca 0.38 -0.26 0.06 0.00 -0.55 0.00 0.00 66.41 66.04 1pm6 h THR 20 Cb 0.28 1.16 -0.05 0.00 -1.73 0.00 0.00 68.15 67.81 1pm6 h THR 20 CO -0.14 0.07 0.31 0.58 -0.25 0.00 0.00 175.52 176.09 1pm6 h VAL 21 N -0.01 0.93 -0.48 6.82 2.07 -1.35 -0.90 116.25 123.32 1pm6 h VAL 21 Ca 0.02 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1pm6 h VAL 21 Cb 0.10 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 1pm6 h VAL 21 CO -0.00 0.10 0.22 -0.09 0.02 0.00 0.00 177.57 177.83 1pm6 h ARG 22 N 0.57 0.43 -1.00 1.57 1.12 -1.08 -0.46 114.38 115.53 1pm6 h ARG 22 Ca 0.28 -0.03 0.12 0.00 -1.11 0.00 0.00 59.98 59.24 1pm6 h ARG 22 Cb 0.21 -0.10 -0.08 0.00 -0.01 0.00 0.00 29.97 29.99 1pm6 h ARG 22 CO -0.20 0.28 0.63 0.00 -3.11 0.00 0.00 179.97 177.57 1pm6 h ARG 23 N 0.44 0.95 -0.63 0.20 2.47 -1.03 -0.68 114.38 116.11 1pm6 h ARG 23 Ca 0.22 -0.06 -0.09 0.00 -1.26 0.00 0.00 59.98 58.78 1pm6 h ARG 23 Cb 0.15 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 1pm6 h ARG 23 CO -0.17 0.63 0.02 -1.49 0.56 0.00 0.00 179.97 179.52 1pm6 h TRP 24 N 0.98 1.18 0.24 3.04 6.55 -0.78 -1.49 115.95 125.66 1pm6 h TRP 24 Ca 0.49 -0.19 -0.01 0.00 0.95 0.00 0.00 58.89 60.13 1pm6 h TRP 24 Cb 0.50 -0.31 0.00 0.00 -0.86 0.00 0.00 29.16 28.49 1pm6 h TRP 24 CO -0.00 1.02 -0.11 0.28 -1.05 0.00 0.00 178.44 178.58 1pm6 h VAL 25 N 1.00 0.80 -0.94 1.49 2.07 -0.95 -0.77 116.25 118.94 1pm6 h VAL 25 Ca 0.18 -0.16 0.15 0.00 0.82 0.00 0.00 66.70 67.68 1pm6 h VAL 25 Cb 0.54 0.90 -0.08 0.00 -1.52 0.00 0.00 31.29 31.12 1pm6 h VAL 25 CO 0.03 0.04 0.60 0.03 0.02 0.00 0.00 177.57 178.28 1pm6 h ARG 26 N -0.40 0.75 -1.03 1.57 3.08 -1.16 -2.47 114.38 114.71 1pm6 h ARG 26 Ca -0.03 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 59.77 1pm6 h ARG 26 Cb 0.30 -0.17 -0.12 0.00 0.08 0.00 0.00 29.97 30.07 1pm6 h ARG 26 CO 0.05 0.49 0.25 0.39 -1.07 0.00 0.00 179.97 180.09 1pm6 n GLU 27 N -4.60 1.48 -4.16 0.04 1.02 -0.56 -4.95 120.64 108.90 1pm6 n GLU 27 Ca 0.19 -1.15 -0.38 0.00 -0.02 0.00 0.00 57.16 55.80 1pm6 n GLU 27 Cb 0.47 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.40 1pm6 n GLU 27 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1pm6 n SER 28 N -0.09 -1.70 -0.06 1.62 7.64 -0.93 -4.95 113.62 115.16 1pm6 n SER 28 Ca 0.23 -1.26 -0.08 0.00 1.01 0.00 0.00 58.87 58.76 1pm6 n SER 28 Cb 0.93 -1.79 -0.05 0.00 -1.01 0.00 0.00 64.21 62.29 1pm6 n SER 28 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1pm6 n ARG 29 N -4.79 0.28 -2.21 1.43 0.63 -0.30 -4.76 116.66 106.94 1pm6 n ARG 29 Ca -0.22 0.07 -0.43 0.00 -0.92 0.00 0.00 57.85 56.36 1pm6 n ARG 29 Cb 0.63 -1.19 -0.02 0.00 0.45 0.00 0.00 32.46 32.32 1pm6 n ARG 29 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1pm6 s ILE 30 N -2.23 3.92 -0.02 5.15 -1.09 -1.25 -0.25 121.20 125.43 1pm6 s ILE 30 Ca -0.16 1.12 0.00 0.00 -2.23 0.00 0.00 60.65 59.39 1pm6 s ILE 30 Cb 0.04 -3.72 0.02 0.00 -1.58 0.00 0.00 42.46 37.22 1pm6 s ILE 30 CO 0.26 -0.10 0.00 0.12 -1.23 0.00 0.00 174.94 173.99 1pm6 s PHE 31 N 3.72 0.26 0.65 3.97 5.36 -0.13 -4.01 117.98 127.79 1pm6 s PHE 31 Ca 0.64 0.01 -0.15 0.00 -0.96 0.00 0.00 56.93 56.48 1pm6 s PHE 31 Cb -0.28 -0.34 -0.01 0.00 -0.34 0.00 0.00 43.02 42.06 1pm6 s PHE 31 CO 0.22 -0.10 1.09 -1.25 -1.46 0.00 0.00 175.22 173.72 1pm6 s PRO 32 N 0.85 2.93 0.57 10.12 0.04 -1.26 -2.01 135.00 146.24 1pm6 s PRO 32 Ca -0.08 1.28 -0.19 0.00 0.04 0.00 0.00 61.00 62.05 1pm6 s PRO 32 Cb -0.12 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1pm6 s PRO 32 CO -0.02 -1.13 1.14 -1.25 0.04 0.00 0.00 177.00 175.78 1pm6 s PRO 33 N -4.23 3.21 0.57 0.56 0.04 -1.26 -4.78 135.00 129.12 1pm6 s PRO 33 Ca 0.65 1.61 -0.15 0.00 0.04 0.00 0.00 61.00 63.14 1pm6 s PRO 33 Cb -0.18 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1pm6 s PRO 33 CO 0.42 -0.96 1.03 -1.25 0.04 0.00 0.00 177.00 176.28 1pm6 s PRO 34 N -3.42 3.55 -0.37 0.56 0.04 -1.26 -4.96 135.00 129.14 1pm6 s PRO 34 Ca 0.72 1.06 -0.25 0.00 0.04 0.00 0.00 61.00 62.57 1pm6 s PRO 34 Cb -0.24 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.24 1pm6 s PRO 34 CO 0.30 -0.61 0.87 0.08 0.04 0.00 0.00 177.00 177.69 1pm6 s VAL 35 N -2.62 4.63 -0.18 -0.36 1.01 -0.76 -4.79 120.40 117.34 1pm6 s VAL 35 Ca 0.61 1.06 -0.29 0.00 0.00 0.00 0.00 61.98 63.35 1pm6 s VAL 35 Cb -0.13 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 31.95 1pm6 s VAL 35 CO 0.37 -0.52 1.10 -0.75 0.00 0.00 0.00 175.10 175.31 1pm6 s LYS 36 N 3.35 4.29 -0.36 2.72 2.20 -1.26 -0.95 119.74 129.74 1pm6 s LYS 36 Ca 0.36 1.46 0.01 0.00 -0.36 0.00 0.00 55.97 57.44 1pm6 s LYS 36 Cb -0.12 -3.64 0.11 0.00 -1.51 0.00 0.00 37.83 32.66 1pm6 s LYS 36 CO 0.18 -0.57 0.12 0.16 -0.36 0.00 0.00 175.35 174.88 1pm6 s ASP 37 N 1.39 4.17 -1.08 1.43 -4.77 0.68 -4.94 116.67 113.54 1pm6 s ASP 37 Ca 0.48 -2.06 -0.18 0.00 -3.30 0.00 0.00 52.55 47.50 1pm6 s ASP 37 Cb -0.18 -1.15 -0.01 0.00 -1.09 0.00 0.00 42.92 40.49 1pm6 s ASP 37 CO 0.12 -0.37 0.78 0.61 0.70 0.00 0.00 175.17 177.01 1pm6 n GLY 38 N 4.32 -1.04 2.47 2.12 0.00 -1.26 -1.78 105.19 110.02 1pm6 n GLY 38 Ca 0.02 0.47 -0.19 0.00 0.00 0.00 0.00 46.02 46.32 1pm6 n GLY 38 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1pm6 n ARG 39 N -3.88 -1.50 -4.75 1.61 1.85 -1.26 -5.04 116.66 103.69 1pm6 n ARG 39 Ca -0.10 1.10 -0.28 0.00 -1.00 0.00 0.00 57.85 57.57 1pm6 n ARG 39 Cb 0.59 -5.53 -0.17 0.00 -1.05 0.00 0.00 32.46 26.31 1pm6 n ARG 39 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1pm6 s GLU 40 N -3.95 2.22 -0.29 2.89 2.12 -0.74 -5.13 118.70 115.83 1pm6 s GLU 40 Ca 0.00 -0.59 -0.15 0.00 0.36 0.00 0.00 54.97 54.59 1pm6 s GLU 40 Cb 0.00 -1.78 -0.03 0.00 0.26 0.00 0.00 34.13 32.58 1pm6 s GLU 40 CO 0.00 0.05 0.39 0.71 -0.54 0.00 0.00 175.26 175.87 1pm6 s TYR 41 N 0.64 3.23 -0.64 5.30 2.02 -1.26 -0.23 117.35 126.40 1pm6 s TYR 41 Ca -0.14 0.31 -0.22 0.00 -0.37 0.00 0.00 57.07 56.64 1pm6 s TYR 41 Cb -0.16 -2.63 0.07 0.00 -0.40 0.00 0.00 41.96 38.83 1pm6 s TYR 41 CO 0.04 -0.30 0.94 -0.51 -1.57 0.00 0.00 175.55 174.15 1pm6 s LEU 42 N 2.10 4.43 0.01 -1.29 1.43 -0.13 -3.02 118.68 122.21 1pm6 s LEU 42 Ca 0.15 -0.96 -0.23 0.00 -1.03 0.00 0.00 54.13 52.06 1pm6 s LEU 42 Cb -0.16 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 1pm6 s LEU 42 CO 0.11 -1.39 0.69 -0.36 0.23 0.00 0.00 176.35 175.62 1pm6 s PHE 43 N 3.94 3.69 0.40 0.29 0.40 -0.16 -1.83 117.98 124.71 1pm6 s PHE 43 Ca 0.22 1.33 -0.23 0.00 -0.60 0.00 0.00 56.93 57.66 1pm6 s PHE 43 Cb -0.17 -2.74 -0.10 0.00 0.51 0.00 0.00 43.02 40.52 1pm6 s PHE 43 CO 0.11 0.27 0.99 -1.58 0.70 0.00 0.00 175.22 175.70 1pm6 s HIS 44 N 0.04 3.35 -0.89 0.36 2.46 -1.26 -0.54 115.29 118.81 1pm6 s HIS 44 Ca 0.36 1.66 -0.22 0.00 0.47 0.00 0.00 55.06 57.32 1pm6 s HIS 44 Cb -0.19 -2.97 -0.14 0.00 -0.13 0.00 0.00 32.58 29.15 1pm6 s HIS 44 CO 0.20 -0.27 1.92 0.39 -2.47 0.00 0.00 174.74 174.51 1pm6 n GLU 45 N -0.25 1.54 0.00 2.88 1.02 -1.09 -1.94 120.64 122.80 1pm6 n GLU 45 Ca 0.06 -2.04 0.00 0.00 -0.02 0.00 0.00 57.16 55.16 1pm6 n GLU 45 Cb 0.52 -3.16 0.00 0.00 -0.02 0.00 0.00 31.44 28.78 1pm6 n GLU 45 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1pm6 n SER 46 N 9.51 0.00 -4.70 1.62 2.88 -1.26 -4.73 113.62 116.94 1pm6 n SER 46 Ca 0.48 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.60 1pm6 n SER 46 Cb 0.42 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.85 1pm6 n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pm6 s ALA 47 N 0.00 3.80 0.17 -1.46 0.00 -0.82 -4.75 121.76 118.70 1pm6 s ALA 47 Ca 0.00 1.47 -0.01 0.00 0.00 0.00 0.00 51.96 53.42 1pm6 s ALA 47 Cb 0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 1pm6 s ALA 47 CO 0.00 -1.15 0.09 0.14 0.00 0.00 0.00 175.76 174.84 1pm6 s VAL 48 N 2.38 0.12 -0.63 0.00 -7.23 -0.85 -4.90 120.40 109.29 1pm6 s VAL 48 Ca 0.79 -1.96 -0.27 0.00 -1.81 0.00 0.00 61.98 58.73 1pm6 s VAL 48 Cb -0.46 -2.28 0.01 0.00 0.56 0.00 0.00 36.38 34.20 1pm6 s VAL 48 CO 0.35 -0.23 1.54 -0.54 -0.31 0.00 0.00 175.10 175.91 1pm6 s LYS 49 N -4.09 3.03 -0.02 4.82 3.01 -1.26 -0.96 119.74 124.28 1pm6 s LYS 49 Ca 0.31 0.33 -0.30 0.00 -1.01 0.00 0.00 55.97 55.30 1pm6 s LYS 49 Cb 0.07 -4.24 -0.04 0.00 -1.01 0.00 0.00 37.83 32.62 1pm6 s LYS 49 CO 0.07 -2.28 1.18 0.54 0.51 0.00 0.00 175.35 175.37 1pm6 s VAL 50 N 7.05 4.24 -0.22 3.17 0.11 0.65 -4.99 120.40 130.42 1pm6 s VAL 50 Ca 0.53 1.59 -0.29 0.00 -2.93 0.00 0.00 61.98 60.88 1pm6 s VAL 50 Cb -0.11 -4.02 -0.04 0.00 -1.53 0.00 0.00 36.38 30.68 1pm6 s VAL 50 CO 0.21 0.04 1.86 -1.81 -3.33 0.00 0.00 175.10 172.07 1pm6 s ASP 51 N 1.32 6.02 -0.59 3.54 1.01 -1.26 -4.66 116.67 122.04 1pm6 s ASP 51 Ca 0.56 1.72 -0.26 0.00 0.71 0.00 0.00 52.55 55.29 1pm6 s ASP 51 Cb -0.26 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.09 1pm6 s ASP 51 CO 0.24 -1.54 2.16 -0.22 0.21 0.00 0.00 175.17 176.02 1pm6 s LEU 52 N 6.38 3.30 -0.25 1.23 0.20 -1.26 -4.94 118.68 123.34 1pm6 s LEU 52 Ca 0.83 0.57 -0.01 0.00 0.69 0.00 0.00 54.13 56.22 1pm6 s LEU 52 Cb -0.28 -2.52 0.03 0.00 -0.43 0.00 0.00 46.19 42.99 1pm6 s LEU 52 CO 0.33 -2.76 -0.08 0.21 -0.29 0.00 0.00 176.35 173.76 1pm6 s ASN 53 N 10.18 4.24 0.06 3.68 3.84 -1.26 -5.12 114.94 130.57 1pm6 s ASN 53 Ca 0.83 -0.97 0.09 0.00 0.21 0.00 0.00 52.86 53.02 1pm6 s ASN 53 Cb -0.14 -1.63 -0.03 0.00 -0.55 0.00 0.00 41.25 38.90 1pm6 s ASN 53 CO 0.20 -0.13 -0.24 0.00 -2.79 0.00 0.00 177.10 174.14 1pm6 s ARG 54 N 1.28 1.59 1.00 0.43 1.70 -1.26 -5.16 118.95 118.53 1pm6 s ARG 54 Ca -0.01 -1.09 -0.12 0.00 -0.47 0.00 0.00 55.73 54.04 1pm6 s ARG 54 Cb -0.17 -1.79 0.19 0.00 -0.57 0.00 0.00 34.95 32.61 1pm6 s ARG 54 CO -0.05 0.45 1.08 -1.25 -1.08 0.00 0.00 175.30 174.45 1pm6 s PRO 55 N -1.36 0.39 0.98 3.89 0.04 -1.26 -5.04 135.00 132.64 1pm6 s PRO 55 Ca 0.10 0.82 -0.11 0.00 0.04 0.00 0.00 61.00 61.86 1pm6 s PRO 55 Cb -0.10 -1.71 0.18 0.00 0.04 0.00 0.00 34.50 32.92 1pm6 s PRO 55 CO 0.03 -2.84 1.10 0.14 0.04 0.00 0.00 177.00 175.46 1pm6 s VAL 56 N -2.78 2.24 -0.19 -0.36 -7.23 -1.26 -4.91 120.40 105.92 1pm6 s VAL 56 Ca 0.66 0.08 -0.34 0.00 -1.81 0.00 0.00 61.98 60.57 1pm6 s VAL 56 Cb -0.21 -2.22 -0.11 0.00 0.56 0.00 0.00 36.38 34.40 1pm6 s VAL 56 CO 0.59 -0.10 2.01 0.35 -0.31 0.00 0.00 175.10 177.64 1pm6 n THR 57 N -4.35 0.42 -1.75 5.32 -2.24 -1.26 -4.84 114.28 105.59 1pm6 n THR 57 Ca 0.08 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 1pm6 n THR 57 Cb 0.53 -1.87 -0.03 0.00 -2.10 0.00 0.00 70.33 66.86 1pm6 n THR 57 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1pm6 s GLY 58 N 5.58 0.35 -1.18 3.38 0.00 -1.26 -4.91 107.32 109.27 1pm6 s GLY 58 Ca 0.99 0.33 -0.21 0.00 0.00 0.00 0.00 44.72 45.83 1pm6 s GLY 58 CO 0.50 3.70 1.80 -1.35 0.00 0.00 0.00 173.10 177.74 1pm6 s SER 59 N 8.54 5.93 -0.80 1.64 1.04 -1.26 -4.94 113.70 123.85 1pm6 s SER 59 Ca 0.91 -1.85 -0.26 0.00 0.48 0.00 0.00 55.95 55.22 1pm6 s SER 59 Cb -0.25 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.33 1pm6 s SER 59 CO 0.31 -2.10 1.33 -0.22 0.98 0.00 0.00 173.24 173.55 1pm6 s LEU 60 N 7.51 3.23 -0.63 2.42 2.96 -1.26 -4.96 118.68 127.96 1pm6 s LEU 60 Ca 0.60 -0.64 -0.27 0.00 -0.22 0.00 0.00 54.13 53.61 1pm6 s LEU 60 Cb 0.01 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.12 1pm6 s LEU 60 CO 0.07 -1.79 1.77 -1.48 -1.32 0.00 0.00 176.35 173.60 1pm6 s LEU 61 N 5.69 3.27 0.85 -0.68 2.34 -1.26 -4.99 118.68 123.91 1pm6 s LEU 61 Ca 0.38 0.24 -0.10 0.00 0.06 0.00 0.00 54.13 54.70 1pm6 s LEU 61 Cb -0.06 -2.56 0.10 0.00 -0.56 0.00 0.00 46.19 43.11 1pm6 s LEU 61 CO 0.10 -2.28 1.11 -1.59 -1.06 0.00 0.00 176.35 172.63 1pm6 s LYS 62 N 6.80 1.60 -1.15 1.48 0.00 -1.26 -4.89 119.74 122.32 1pm6 s LYS 62 Ca 0.62 1.27 -0.23 0.00 0.00 0.00 0.00 55.97 57.64 1pm6 s LYS 62 Cb -0.12 -1.81 -0.08 0.00 0.00 0.00 0.00 37.83 35.82 1pm6 s LYS 62 CO 0.20 -2.14 1.93 -0.98 0.00 0.00 0.00 175.35 174.36 1pm6 s ARG 63 N -4.80 2.54 0.47 1.78 1.04 -1.26 -4.97 118.95 113.76 1pm6 s ARG 63 Ca 0.64 -1.08 -0.02 0.00 -1.04 0.00 0.00 55.73 54.23 1pm6 s ARG 63 Cb -0.20 -5.23 -0.01 0.00 -2.04 0.00 0.00 34.95 27.48 1pm6 s ARG 63 CO 0.57 -3.86 0.72 0.96 -0.04 0.00 0.00 175.30 173.65 1pm6 s ILE 64 N 10.72 4.21 -0.00 4.99 -4.36 -1.26 -5.13 121.20 130.36 1pm6 s ILE 64 Ca 0.68 -0.29 0.05 0.00 -0.26 0.00 0.00 60.65 60.83 1pm6 s ILE 64 Cb -0.01 -3.58 -0.01 0.00 1.25 0.00 0.00 42.46 40.10 1pm6 s ILE 64 CO 0.11 -0.47 -0.16 0.00 0.24 0.00 0.00 174.94 174.67 1pm6 s ARG 65 N -4.64 1.25 0.01 0.37 3.03 -1.26 -5.16 118.95 112.55 1pm6 s ARG 65 Ca 0.48 -0.61 -0.19 0.00 2.03 0.00 0.00 55.73 57.45 1pm6 s ARG 65 Cb -0.10 -1.22 -0.06 0.00 -1.03 0.00 0.00 34.95 32.54 1pm6 s ARG 65 CO 0.40 0.33 0.54 0.54 -1.13 0.00 0.00 175.30 175.99 1pm6 s ASN 66 N -0.49 6.94 -0.30 -2.89 4.22 -1.26 -5.07 114.94 116.09 1pm6 s ASN 66 Ca 0.06 1.12 -0.10 0.00 -2.14 0.00 0.00 52.86 51.79 1pm6 s ASN 66 Cb -0.06 -2.34 0.18 0.00 1.28 0.00 0.00 41.25 40.31 1pm6 s ASN 66 CO -0.00 0.18 1.00 -0.83 -2.04 0.00 0.00 177.10 175.40 1pm6 s GLY 67 N -0.50 -0.77 -0.14 0.45 0.00 -1.26 -5.18 107.32 99.92 1pm6 s GLY 67 Ca 0.29 2.23 -0.14 0.00 0.00 0.00 0.00 44.72 47.10 1pm6 s GLY 67 CO 0.16 3.96 0.39 1.25 0.00 0.00 0.00 173.10 178.86 1pm6 s LYS 68 N 2.94 0.48 0.04 2.90 2.36 -1.26 -5.18 119.74 122.02 1pm6 s LYS 68 Ca 0.16 0.51 0.02 0.00 -2.55 0.00 0.00 55.97 54.12 1pm6 s LYS 68 Cb -0.06 0.23 -0.04 0.00 -1.05 0.00 0.00 37.83 36.92 1pm6 s LYS 68 CO -0.19 -0.06 0.03 0.15 1.55 0.00 0.00 175.35 176.83 1pm6 s LYS 69 N 0.12 2.80 0.21 4.03 1.02 -1.26 -5.15 119.74 121.51 1pm6 s LYS 69 Ca -0.01 -0.67 0.09 0.00 0.02 0.00 0.00 55.97 55.40 1pm6 s LYS 69 Cb -0.03 -2.68 -0.05 0.00 -0.52 0.00 0.00 37.83 34.55 1pm6 s LYS 69 CO 0.01 0.59 -0.17 0.00 -0.92 0.00 0.00 175.35 174.86 1pm6 s ALA 70 N -1.24 2.15 0.07 5.17 0.00 -1.26 -5.11 121.76 121.54 1pm6 s ALA 70 Ca 0.24 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1pm6 s ALA 70 Cb -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1pm6 s ALA 70 CO 0.16 0.15 0.00 1.17 0.00 0.00 0.00 175.76 177.24 1pm6 n LYS 71 N -0.24 -0.61 0.00 0.00 3.00 -1.26 -5.38 118.16 113.66 1pm6 n LYS 71 Ca -0.09 0.40 0.14 0.00 -0.00 0.00 0.00 58.31 58.77 1pm6 n LYS 71 Cb 0.59 -0.75 0.85 0.00 0.00 0.00 0.00 35.03 35.72 1pm6 n LYS 71 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27