#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1s s ILE 6 N 0.00 -0.14 -0.28 0.55 1.09 -1.01 -4.79 121.20 116.61 3i1s s ILE 6 Ca 0.00 0.38 -0.09 0.00 -1.10 0.00 0.00 60.65 59.84 3i1s s ILE 6 Cb 0.00 -0.18 -0.03 0.00 -1.06 0.00 0.00 42.46 41.19 3i1s s ILE 6 CO 0.00 0.16 0.14 -0.13 -0.10 0.00 0.00 174.94 175.01 3i1s s ARG 7 N 2.07 3.64 -0.48 2.79 3.00 -1.11 0.15 118.95 129.01 3i1s s ARG 7 Ca 0.03 -0.51 -0.07 0.00 0.00 0.00 0.00 55.73 55.17 3i1s s ARG 7 Cb -0.12 -3.53 0.12 0.00 0.00 0.00 0.00 34.95 31.43 3i1s s ARG 7 CO -0.04 -0.27 0.33 0.96 0.00 0.00 0.00 175.30 176.29 3i1s s ILE 8 N 1.67 3.98 -0.64 1.52 -4.36 -1.17 -1.56 121.20 120.63 3i1s s ILE 8 Ca 0.06 -1.98 -0.27 0.00 -0.26 0.00 0.00 60.65 58.20 3i1s s ILE 8 Cb -0.16 -3.64 0.03 0.00 1.25 0.00 0.00 42.46 39.94 3i1s s ILE 8 CO 0.07 -0.77 1.19 -0.13 0.24 0.00 0.00 174.94 175.54 3i1s s ARG 9 N 1.14 3.35 -0.53 0.37 0.52 -1.23 -3.98 118.95 118.59 3i1s s ARG 9 Ca 0.08 -0.05 -0.19 0.00 -0.52 0.00 0.00 55.73 55.04 3i1s s ARG 9 Cb -0.24 -4.10 0.07 0.00 0.52 0.00 0.00 34.95 31.20 3i1s s ARG 9 CO -0.02 -1.86 0.65 -0.51 0.02 0.00 0.00 175.30 173.59 3i1s s LEU 10 N 5.12 5.02 0.07 2.53 1.43 0.92 -3.23 118.68 130.53 3i1s s LEU 10 Ca 0.37 -1.01 0.10 0.00 -1.03 0.00 0.00 54.13 52.57 3i1s s LEU 10 Cb -0.09 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 3i1s s LEU 10 CO 0.20 -0.95 -0.27 -1.59 0.23 0.00 0.00 176.35 173.97 3i1s s LYS 11 N 2.70 1.70 -0.01 1.70 0.00 -1.03 0.35 119.74 125.14 3i1s s LYS 11 Ca 0.15 -1.17 -0.29 0.00 0.00 0.00 0.00 55.97 54.66 3i1s s LYS 11 Cb -0.20 -1.95 0.10 0.00 0.00 0.00 0.00 37.83 35.78 3i1s s LYS 11 CO 0.11 0.49 0.95 0.00 0.00 0.00 0.00 175.35 176.91 3i1s s ALA 12 N -0.87 -1.85 -0.32 0.59 0.00 -1.20 -1.88 121.76 116.24 3i1s s ALA 12 Ca 0.12 0.96 0.27 0.00 0.00 0.00 0.00 51.96 53.31 3i1s s ALA 12 Cb -0.10 0.38 0.94 0.00 0.00 0.00 0.00 23.12 24.33 3i1s s ALA 12 CO 0.03 -0.74 1.79 0.74 0.00 0.00 0.00 175.76 177.59 3i1s h PHE 13 N 2.00 0.00 -3.45 0.00 -1.00 -1.92 -1.57 116.94 111.00 3i1s h PHE 13 Ca -0.21 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 60.02 3i1s h PHE 13 Cb 1.23 0.00 -0.33 0.00 3.61 0.00 0.00 35.95 40.46 3i1s h PHE 13 CO 0.28 0.00 -0.83 -0.51 -1.61 0.00 0.00 178.31 175.64 3i1s s ASP 14 N -5.25 2.07 0.37 2.17 1.01 -1.26 -4.73 116.67 111.05 3i1s s ASP 14 Ca 0.05 -0.36 0.07 0.00 0.71 0.00 0.00 52.55 53.02 3i1s s ASP 14 Cb 0.09 -0.92 0.71 0.00 1.01 0.00 0.00 42.92 43.81 3i1s s ASP 14 CO 0.55 0.07 1.91 0.45 0.21 0.00 0.00 175.17 178.36 3i1s h HIS 15 N 6.85 0.42 0.00 4.23 3.86 -1.93 -0.83 115.15 127.75 3i1s h HIS 15 Ca -0.29 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 3i1s h HIS 15 Cb 1.20 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.54 3i1s h HIS 15 CO 0.48 0.44 0.00 0.54 0.86 0.00 0.00 177.93 180.25 3i1s n ARG 16 N -4.30 0.00 0.17 2.45 1.74 -1.26 -0.58 116.66 114.87 3i1s n ARG 16 Ca 0.01 0.67 0.02 0.00 -0.77 0.00 0.00 57.85 57.78 3i1s n ARG 16 Cb 0.23 -1.33 0.28 0.00 -1.02 0.00 0.00 32.46 30.63 3i1s n ARG 16 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3i1s h LEU 17 N 0.00 0.00 0.00 0.55 5.85 -1.97 -0.84 115.31 118.89 3i1s h LEU 17 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3i1s h LEU 17 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3i1s h LEU 17 CO 0.00 0.47 0.00 0.00 -0.34 0.00 0.00 178.44 178.57 3i1s n ILE 18 N -3.83 0.41 -0.02 4.05 3.06 -0.32 -0.73 119.36 121.97 3i1s n ILE 18 Ca -0.01 0.10 0.01 0.00 -2.50 0.00 0.00 62.75 60.35 3i1s n ILE 18 Cb 0.51 -0.72 -0.08 0.00 0.54 0.00 0.00 39.64 39.88 3i1s n ILE 18 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 3i1s n ASP 19 N -1.42 2.44 0.07 9.51 -0.08 0.25 -4.08 116.55 123.24 3i1s n ASP 19 Ca 0.07 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.29 3i1s n ASP 19 Cb 0.23 1.21 -0.08 0.00 2.34 0.00 0.00 41.12 44.83 3i1s n ASP 19 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 3i1s h GLN 20 N 0.00 0.00 0.18 -0.67 -0.00 -0.74 -3.03 115.11 110.86 3i1s h GLN 20 Ca -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.53 3i1s h GLN 20 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.44 3i1s h GLN 20 CO 0.01 0.93 -0.09 0.00 0.00 0.00 0.00 178.83 179.68 3i1s h ALA 21 N 1.07 -0.24 -0.89 3.38 0.00 -1.15 -2.99 119.26 118.44 3i1s h ALA 21 Ca -0.01 -0.22 0.26 0.00 0.00 0.00 0.00 54.91 54.94 3i1s h ALA 21 Cb 1.67 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 3i1s h ALA 21 CO 0.12 -0.31 0.64 1.15 0.00 0.00 0.00 179.25 180.85 3i1s h THR 22 N -0.89 0.55 0.16 0.00 2.02 -1.71 0.89 112.91 113.93 3i1s h THR 22 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3i1s h THR 22 Cb 0.51 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3i1s h THR 22 CO 0.04 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.85 3i1s h ALA 23 N 1.55 -0.21 -0.16 6.16 0.00 -1.51 -3.01 119.26 122.07 3i1s h ALA 23 Ca 0.42 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.92 3i1s h ALA 23 Cb 1.70 0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.58 3i1s h ALA 23 CO -0.00 -0.40 -0.73 0.93 0.00 0.00 0.00 179.25 179.04 3i1s h GLU 24 N -0.64 0.72 -1.66 0.00 4.39 -1.22 -2.85 114.58 113.31 3i1s h GLU 24 Ca -0.02 -0.56 -0.04 0.00 0.34 0.00 0.00 59.36 59.07 3i1s h GLU 24 Cb 0.48 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 3i1s h GLU 24 CO 0.04 1.18 0.05 -0.89 -1.16 0.00 0.00 179.01 178.23 3i1s n ILE 25 N -3.92 1.82 0.00 3.13 5.41 0.30 -3.27 119.36 122.83 3i1s n ILE 25 Ca -0.06 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.19 3i1s n ILE 25 Cb 0.72 -1.32 0.00 0.00 -0.71 0.00 0.00 39.64 38.33 3i1s n ILE 25 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3i1s n VAL 26 N 1.06 0.00 0.77 1.39 0.31 -1.14 -4.74 118.33 115.98 3i1s n VAL 26 Ca 0.04 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.43 3i1s n VAL 26 Cb 0.53 -0.08 0.34 0.00 -0.91 0.00 0.00 33.84 33.72 3i1s n VAL 26 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i1s n GLU 27 N -1.90 0.38 -0.07 5.55 -0.58 -1.08 0.85 120.64 123.80 3i1s n GLU 27 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 3i1s n GLU 27 Cb 0.00 -1.46 -0.04 0.00 -0.57 0.00 0.00 31.44 29.36 3i1s n GLU 27 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 3i1s n THR 28 N -0.96 1.19 -0.07 2.62 5.66 -1.20 -4.28 114.28 117.24 3i1s n THR 28 Ca 0.09 -0.03 -0.13 0.00 -3.05 0.00 0.00 64.05 60.93 3i1s n THR 28 Cb 0.04 -1.91 -0.12 0.00 -1.55 0.00 0.00 70.33 66.79 3i1s n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i1s h ALA 29 N -0.66 -0.00 0.00 1.79 0.00 -1.80 -2.95 119.26 115.65 3i1s h ALA 29 Ca -0.25 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 3i1s h ALA 29 Cb 1.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3i1s h ALA 29 CO -0.15 -0.01 -0.00 -0.22 0.00 0.00 0.00 179.25 178.86 3i1s h LYS 30 N -0.97 0.00 -0.00 0.00 3.11 0.15 -1.94 116.57 116.91 3i1s h LYS 30 Ca -0.00 0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.64 3i1s h LYS 30 Cb 0.92 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 32.16 3i1s h LYS 30 CO 0.00 0.00 -0.77 -0.09 -2.81 0.00 0.00 179.45 175.79 3i1s h ARG 31 N 0.00 0.53 -5.79 1.90 2.43 -1.51 -3.39 114.38 108.55 3i1s h ARG 31 Ca -0.00 -0.56 -0.60 0.00 -0.81 0.00 0.00 59.98 58.01 3i1s h ARG 31 Cb 0.03 0.16 -0.10 0.00 -0.42 0.00 0.00 29.97 29.64 3i1s h ARG 31 CO 0.00 1.19 0.42 -0.08 -1.51 0.00 0.00 179.97 179.99 3i1s s THR 32 N -3.26 4.80 -0.06 0.20 -1.32 -0.73 -4.58 115.64 110.68 3i1s s THR 32 Ca -0.12 1.28 -0.05 0.00 -1.21 0.00 0.00 61.69 61.60 3i1s s THR 32 Cb 0.05 -4.14 0.02 0.00 -1.51 0.00 0.00 72.50 66.92 3i1s s THR 32 CO 0.86 -0.21 0.10 0.61 -2.21 0.00 0.00 174.62 173.77 3i1s n GLY 33 N 4.09 -4.71 3.54 6.08 0.00 -1.26 -4.67 105.19 108.26 3i1s n GLY 33 Ca 0.04 0.57 -0.25 0.00 0.00 0.00 0.00 46.02 46.37 3i1s n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1s n ALA 34 N 1.20 0.63 -1.20 4.61 0.00 -1.26 -4.69 120.51 119.79 3i1s n ALA 34 Ca -0.16 -2.47 0.00 0.00 0.00 0.00 0.00 53.44 50.81 3i1s n ALA 34 Cb 0.25 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 16.21 3i1s n ALA 34 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i1s n GLN 35 N 8.07 0.00 -1.86 0.00 -0.06 -1.26 -5.09 117.38 117.17 3i1s n GLN 35 Ca 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.43 3i1s n GLN 35 Cb 0.45 -0.10 0.00 0.00 -4.06 0.00 0.00 30.24 26.53 3i1s n GLN 35 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3i1s n VAL 36 N -0.23-11.28 0.00 1.69 0.31 -1.26 -5.00 118.33 102.56 3i1s n VAL 36 Ca 0.00 2.69 0.00 0.00 -0.01 0.00 0.00 64.34 67.02 3i1s n VAL 36 Cb 0.00 -5.07 0.00 0.00 -0.91 0.00 0.00 33.84 27.86 3i1s n VAL 36 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i1s n ARG 37 N 1.50 2.96 0.00 5.55 3.00 -1.23 -5.04 116.66 123.40 3i1s n ARG 37 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i1s n ARG 37 Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 32.46 31.73 3i1s n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i1s n GLY 38 N 1.65 1.60 3.56 5.14 0.00 -1.07 -4.90 105.19 111.16 3i1s n GLY 38 Ca 0.00 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 3i1s n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i1s s PRO 39 N -4.98 2.75 -0.35 1.61 0.04 -1.26 -2.75 135.00 130.06 3i1s s PRO 39 Ca 0.00 -0.14 -0.25 0.00 0.04 0.00 0.00 61.00 60.65 3i1s s PRO 39 Cb 0.00 -4.85 0.01 0.00 0.04 0.00 0.00 34.50 29.70 3i1s s PRO 39 CO 0.00 -2.97 0.89 0.42 0.04 0.00 0.00 177.00 175.38 3i1s s ILE 40 N 8.86 4.65 0.12 0.56 1.09 -1.26 -4.80 121.20 130.42 3i1s s ILE 40 Ca 0.64 1.21 -0.13 0.00 -1.10 0.00 0.00 60.65 61.27 3i1s s ILE 40 Cb -0.08 -4.28 -0.06 0.00 -1.06 0.00 0.00 42.46 36.98 3i1s s ILE 40 CO 0.05 -0.44 1.45 1.55 -0.10 0.00 0.00 174.94 177.45 3i1s h PRO 41 N 8.34 0.83 -2.93 2.79 0.13 -1.94 -2.55 132.00 136.66 3i1s h PRO 41 Ca -0.23 -0.43 0.35 0.00 -0.87 0.00 0.00 66.00 64.82 3i1s h PRO 41 Cb 1.08 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.13 3i1s h PRO 41 CO 0.95 1.07 -0.51 1.28 -0.23 0.00 0.00 178.00 180.56 3i1s n LEU 42 N -4.16 -0.66 0.00 1.56 4.32 -1.26 -3.69 117.00 113.11 3i1s n LEU 42 Ca -0.03 1.45 0.00 0.00 -0.02 0.00 0.00 56.01 57.41 3i1s n LEU 42 Cb 0.51 -3.98 0.00 0.00 -1.62 0.00 0.00 43.42 38.32 3i1s n LEU 42 CO 0.47 -3.46 0.00 -0.81 -1.22 0.00 0.00 177.39 172.36 3i1s n PRO 43 N -3.96 -0.48 0.00 3.23 -0.04 -1.26 -4.81 135.00 127.68 3i1s n PRO 43 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i1s n PRO 43 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 3i1s n PRO 43 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3i1s n THR 44 N -1.96 0.00 0.00 0.52 -1.04 -1.26 -4.16 114.28 106.37 3i1s n THR 44 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i1s n THR 44 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3i1s n THR 44 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i1s n ARG 45 N 0.00 0.00 -3.44 -2.82 1.74 -1.00 -4.91 116.66 106.24 3i1s n ARG 45 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 3i1s n ARG 45 Cb 0.00 -0.22 0.03 0.00 -1.02 0.00 0.00 32.46 31.25 3i1s n ARG 45 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3i1s n LYS 46 N -0.82 -1.70 -2.03 5.56 2.85 -1.26 -4.75 118.16 116.01 3i1s n LYS 46 Ca 0.00 1.36 -0.40 0.00 -1.05 0.00 0.00 58.31 58.21 3i1s n LYS 46 Cb 0.00 -2.01 -0.03 0.00 -0.65 0.00 0.00 35.03 32.35 3i1s n LYS 46 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3i1s s GLU 47 N -2.22 2.91 0.29 -1.58 0.41 -1.18 -4.81 118.70 112.52 3i1s s GLU 47 Ca 0.32 0.93 -0.30 0.00 -0.41 0.00 0.00 54.97 55.52 3i1s s GLU 47 Cb -0.03 -4.31 -0.13 0.00 -1.78 0.00 0.00 34.13 27.88 3i1s s GLU 47 CO 0.74 -2.38 1.40 2.89 -0.49 0.00 0.00 175.26 177.42 3i1s n ARG 48 N 8.85 2.22 -3.58 1.61 1.85 -1.26 -3.16 116.66 123.19 3i1s n ARG 48 Ca 0.21 0.78 -0.10 0.00 -1.00 0.00 0.00 57.85 57.75 3i1s n ARG 48 Cb 0.50 -2.44 -0.10 0.00 -1.05 0.00 0.00 32.46 29.37 3i1s n ARG 48 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3i1s s PHE 49 N -0.46 -0.69 -0.03 2.89 0.40 -1.22 -4.96 117.98 113.90 3i1s s PHE 49 Ca 0.62 1.17 0.03 0.00 -0.60 0.00 0.00 56.93 58.15 3i1s s PHE 49 Cb -0.58 0.12 0.00 0.00 0.51 0.00 0.00 43.02 43.07 3i1s s PHE 49 CO 0.55 -0.51 -0.10 0.95 0.70 0.00 0.00 175.22 176.81 3i1s s THR 50 N 2.54 0.86 0.00 0.64 -4.23 -1.26 0.83 115.64 115.01 3i1s s THR 50 Ca 0.03 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 3i1s s THR 50 Cb -0.13 -0.77 -0.00 0.00 1.34 0.00 0.00 72.50 72.95 3i1s s THR 50 CO -0.12 0.27 0.00 1.33 -0.54 0.00 0.00 174.62 175.55 3i1s n VAL 51 N 3.32 0.00 -4.69 2.29 0.24 -0.95 -4.98 118.33 113.56 3i1s n VAL 51 Ca -0.19 -0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.78 3i1s n VAL 51 Cb 0.54 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.78 3i1s n VAL 51 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i1s s LEU 52 N 0.00 2.92 0.00 1.34 1.43 -1.26 -2.19 118.68 120.92 3i1s s LEU 52 Ca 0.00 -0.20 0.18 0.00 -1.03 0.00 0.00 54.13 53.08 3i1s s LEU 52 Cb 0.00 -1.65 -0.18 0.00 0.03 0.00 0.00 46.19 44.38 3i1s s LEU 52 CO 0.00 0.24 0.64 0.00 0.23 0.00 0.00 176.35 177.46 3i1s n ILE 53 N 3.03 1.00 -3.50 -0.59 3.06 -1.26 -4.86 119.36 116.23 3i1s n ILE 53 Ca -0.18 -0.68 -0.36 0.00 -2.50 0.00 0.00 62.75 59.03 3i1s n ILE 53 Cb 0.53 -0.55 -0.06 0.00 0.54 0.00 0.00 39.64 40.10 3i1s n ILE 53 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 3i1s s SER 54 N -5.50 6.74 0.41 9.51 0.15 -1.26 -4.98 113.70 118.77 3i1s s SER 54 Ca -0.05 0.91 0.08 0.00 0.70 0.00 0.00 55.95 57.59 3i1s s SER 54 Cb 0.09 -2.23 0.87 0.00 -1.71 0.00 0.00 66.02 63.05 3i1s s SER 54 CO 0.83 0.21 2.04 1.55 1.20 0.00 0.00 173.24 179.07 3i1s h PRO 55 N 4.02 0.46 -3.46 5.44 0.13 -1.96 -3.43 132.00 133.20 3i1s h PRO 55 Ca -0.50 -0.04 -0.20 0.00 -0.87 0.00 0.00 66.00 64.39 3i1s h PRO 55 Cb 1.20 -0.10 -0.27 0.00 0.13 0.00 0.00 31.00 31.97 3i1s h PRO 55 CO 0.65 0.34 -0.58 -1.58 -0.23 0.00 0.00 178.00 176.59 3i1s s HIS 56 N -5.35 -0.12 0.00 1.56 5.65 -1.26 -5.10 115.29 110.67 3i1s s HIS 56 Ca -0.08 0.31 0.00 0.00 0.25 0.00 0.00 55.06 55.54 3i1s s HIS 56 Cb 0.17 0.04 0.00 0.00 -1.18 0.00 0.00 32.58 31.61 3i1s s HIS 56 CO 0.73 -0.06 0.00 1.55 -0.65 0.00 0.00 174.74 176.31 3i1s n VAL 57 N 3.01 0.00 -3.24 0.89 3.14 -1.26 -4.90 118.33 115.97 3i1s n VAL 57 Ca -0.12 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.12 3i1s n VAL 57 Cb 0.59 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.44 3i1s n VAL 57 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3i1s n ASN 58 N -3.85 -6.73 -0.00 6.55 3.02 -1.26 -4.73 115.26 108.26 3i1s n ASN 58 Ca 0.00 -0.67 0.14 0.00 -0.03 0.00 0.00 54.58 54.03 3i1s n ASN 58 Cb 0.00 -5.20 0.69 0.00 -0.61 0.00 0.00 39.78 34.65 3i1s n ASN 58 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3i1s n LYS 59 N -3.13 0.23 -0.72 3.52 -0.00 -1.26 -3.71 118.16 113.08 3i1s n LYS 59 Ca -0.07 -0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.13 3i1s n LYS 59 Cb 0.61 -1.50 0.03 0.00 -0.00 0.00 0.00 35.03 34.17 3i1s n LYS 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3i1s n ASP 60 N -1.38 5.69 0.00 -5.58 9.92 -1.26 -4.43 116.55 119.50 3i1s n ASP 60 Ca 0.11 -2.82 0.00 0.00 -0.53 0.00 0.00 54.79 51.55 3i1s n ASP 60 Cb 0.29 -1.01 0.00 0.00 -0.64 0.00 0.00 41.12 39.76 3i1s n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i1s n ALA 61 N 0.57 1.07 -0.91 2.24 0.00 -1.24 -5.16 120.51 117.07 3i1s n ALA 61 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.77 3i1s n ALA 61 Cb 0.61 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.02 3i1s n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1s n ARG 62 N -0.07 -1.96 -3.81 0.00 1.74 -1.26 -4.91 116.66 106.38 3i1s n ARG 62 Ca 0.00 1.45 -0.13 0.00 -0.77 0.00 0.00 57.85 58.40 3i1s n ARG 62 Cb 0.00 -2.34 -0.14 0.00 -1.02 0.00 0.00 32.46 28.96 3i1s n ARG 62 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3i1s s ASP 63 N -6.30 -0.07 -0.31 0.55 -1.08 -0.93 -4.60 116.67 103.93 3i1s s ASP 63 Ca 0.00 0.18 -0.08 0.00 -0.52 0.00 0.00 52.55 52.13 3i1s s ASP 63 Cb 0.00 0.14 0.00 0.00 -1.46 0.00 0.00 42.92 41.61 3i1s s ASP 63 CO 0.00 -0.07 0.12 -1.10 0.52 0.00 0.00 175.17 174.64 3i1s s GLN 64 N 0.40 3.18 0.20 4.34 -1.52 -1.26 -2.24 119.66 122.76 3i1s s GLN 64 Ca -0.03 -0.81 0.01 0.00 -1.95 0.00 0.00 55.36 52.58 3i1s s GLN 64 Cb -0.04 -3.47 0.01 0.00 -0.22 0.00 0.00 33.01 29.29 3i1s s GLN 64 CO -0.02 -0.45 0.12 0.66 -0.25 0.00 0.00 175.29 175.35 3i1s n TYR 65 N 4.92 -0.75 -3.65 0.91 0.53 0.24 -5.02 117.16 114.34 3i1s n TYR 65 Ca -0.14 -0.90 -0.06 0.00 -1.02 0.00 0.00 57.90 55.78 3i1s n TYR 65 Cb 0.48 -0.16 -0.02 0.00 -1.03 0.00 0.00 39.34 38.62 3i1s n TYR 65 CO 0.00 0.00 0.00 -2.00 -1.02 0.00 0.00 176.86 173.84 3i1s s GLU 66 N -2.82 1.12 -0.49 -0.72 2.12 -1.26 -3.46 118.70 113.20 3i1s s GLU 66 Ca 0.09 -0.55 0.06 0.00 0.36 0.00 0.00 54.97 54.93 3i1s s GLU 66 Cb -0.01 0.43 0.22 0.00 0.26 0.00 0.00 34.13 35.03 3i1s s GLU 66 CO 0.06 -0.51 0.79 0.44 -0.54 0.00 0.00 175.26 175.50 3i1s n ILE 67 N -0.39 -0.10 -1.95 -3.70 -5.35 -1.19 -4.93 119.36 101.74 3i1s n ILE 67 Ca -0.08 -1.59 -0.43 0.00 -0.27 0.00 0.00 62.75 60.38 3i1s n ILE 67 Cb 0.61 0.96 -0.03 0.00 -1.74 0.00 0.00 39.64 39.45 3i1s n ILE 67 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i1s s ARG 68 N 0.60 3.80 -0.17 6.28 1.70 -1.26 -3.11 118.95 126.79 3i1s s ARG 68 Ca 0.32 1.94 -0.03 0.00 -0.47 0.00 0.00 55.73 57.48 3i1s s ARG 68 Cb 0.14 -4.10 -0.02 0.00 -0.57 0.00 0.00 34.95 30.40 3i1s s ARG 68 CO -0.17 -1.30 -0.04 0.99 -1.08 0.00 0.00 175.30 173.69 3i1s s THR 69 N 5.39 3.74 0.56 4.99 2.01 -1.26 -4.53 115.64 126.54 3i1s s THR 69 Ca 0.79 -0.40 0.07 0.00 0.31 0.00 0.00 61.69 62.45 3i1s s THR 69 Cb -0.30 -2.65 0.06 0.00 0.01 0.00 0.00 72.50 69.62 3i1s s THR 69 CO 0.32 0.48 0.55 -1.00 -0.69 0.00 0.00 174.62 174.28 3i1s s HIS 70 N 0.58 1.53 0.04 4.92 3.76 -0.59 -2.36 115.29 123.17 3i1s s HIS 70 Ca -0.03 -0.80 -0.09 0.00 -0.15 0.00 0.00 55.06 53.99 3i1s s HIS 70 Cb -0.14 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.52 3i1s s HIS 70 CO 0.03 -0.74 0.19 -1.17 -0.85 0.00 0.00 174.74 172.19 3i1s s LEU 71 N -4.43 1.40 0.12 0.89 2.96 -1.24 -3.21 118.68 115.18 3i1s s LEU 71 Ca 0.45 -0.40 -0.14 0.00 -0.22 0.00 0.00 54.13 53.82 3i1s s LEU 71 Cb -0.04 0.94 0.02 0.00 0.50 0.00 0.00 46.19 47.61 3i1s s LEU 71 CO 0.28 -0.57 0.35 -0.13 -1.32 0.00 0.00 176.35 174.96 3i1s s ARG 72 N -2.66 1.05 0.00 1.98 1.81 0.15 -4.26 118.95 117.01 3i1s s ARG 72 Ca -0.04 -0.81 0.00 0.00 -1.72 0.00 0.00 55.73 53.15 3i1s s ARG 72 Cb -0.01 0.44 0.00 0.00 -0.45 0.00 0.00 34.95 34.93 3i1s s ARG 72 CO -0.04 -0.40 0.00 1.28 -0.68 0.00 0.00 175.30 175.46 3i1s n LEU 73 N -0.19 0.19 0.00 2.53 4.77 -0.96 -0.06 117.00 123.28 3i1s n LEU 73 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3i1s n LEU 73 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3i1s n LEU 73 CO 0.19 -0.05 0.00 0.52 -1.33 0.00 0.00 177.39 176.72 3i1s n VAL 74 N -2.87 0.00 -0.12 4.08 0.31 -1.11 -3.06 118.33 115.56 3i1s n VAL 74 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1s n VAL 74 Cb 0.41 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.34 3i1s n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3i1s n ASP 75 N 1.19 -2.12 -4.53 4.52 4.64 -1.26 -2.61 116.55 116.39 3i1s n ASP 75 Ca 0.00 0.09 -0.25 0.00 -1.38 0.00 0.00 54.79 53.25 3i1s n ASP 75 Cb 0.00 0.59 -0.11 0.00 -1.04 0.00 0.00 41.12 40.57 3i1s n ASP 75 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3i1s s ILE 76 N -1.48 2.09 0.00 5.18 1.01 0.40 -3.53 121.20 124.88 3i1s s ILE 76 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 60.65 58.48 3i1s s ILE 76 Cb 0.00 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.84 3i1s s ILE 76 CO 0.00 -0.20 0.00 0.52 0.00 0.00 0.00 174.94 175.26 3i1s n VAL 77 N -0.76 0.00 -3.49 2.92 0.31 -1.26 -2.40 118.33 113.64 3i1s n VAL 77 Ca -0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.86 3i1s n VAL 77 Cb 0.64 -0.07 -0.10 0.00 -0.91 0.00 0.00 33.84 33.39 3i1s n VAL 77 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3i1s s GLU 78 N -0.85 3.09 0.00 5.55 8.01 -1.26 -1.54 118.70 131.70 3i1s s GLU 78 Ca 0.00 -0.93 -0.02 0.00 0.01 0.00 0.00 54.97 54.03 3i1s s GLU 78 Cb 0.00 -3.92 -0.11 0.00 -4.31 0.00 0.00 34.13 25.80 3i1s s GLU 78 CO 0.00 -0.67 1.80 -2.30 0.01 0.00 0.00 175.26 174.10 3i1s n PRO 79 N 5.13 0.85 -3.18 0.39 -0.02 -1.26 -4.28 135.00 132.63 3i1s n PRO 79 Ca -0.11 -0.40 -0.44 0.00 -2.02 0.00 0.00 63.50 60.53 3i1s n PRO 79 Cb 0.48 -1.67 -0.06 0.00 -0.02 0.00 0.00 33.50 32.23 3i1s n PRO 79 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i1s s THR 80 N 1.96 4.92 0.00 3.45 2.01 -1.26 -4.87 115.64 121.85 3i1s s THR 80 Ca 0.27 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.56 3i1s s THR 80 Cb 0.13 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 68.32 3i1s s THR 80 CO 0.00 -0.85 0.00 1.21 -0.69 0.00 0.00 174.62 174.29 3i1s n GLU 81 N 6.05 0.00 0.00 4.92 0.00 -1.26 0.80 120.64 131.15 3i1s n GLU 81 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.08 3i1s n GLU 81 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.88 3i1s n GLU 81 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 3i1s n LYS 82 N -0.16 0.19 0.00 5.31 -0.00 -1.26 0.70 118.16 122.94 3i1s n LYS 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i1s n LYS 82 Cb 0.00 -1.22 0.00 0.00 -0.00 0.00 0.00 35.03 33.81 3i1s n LYS 82 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 3i1s n THR 83 N 0.60 0.00 0.00 0.58 -1.04 0.24 -4.81 114.28 109.85 3i1s n THR 83 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i1s n THR 83 Cb 0.07 0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 3i1s n THR 83 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3i1s n VAL 84 N 0.00 0.00 -0.09 12.58 0.24 0.22 -4.69 118.33 126.59 3i1s n VAL 84 Ca 0.00 0.00 0.20 0.00 -2.04 0.00 0.00 64.34 62.50 3i1s n VAL 84 Cb 0.00 -0.12 0.63 0.00 -1.47 0.00 0.00 33.84 32.88 3i1s n VAL 84 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 3i1s h ASP 85 N 0.00 0.14 -1.62 -1.34 1.82 -1.70 0.18 116.42 113.90 3i1s h ASP 85 Ca 0.00 0.01 -0.70 0.00 -0.39 0.00 0.00 57.03 55.95 3i1s h ASP 85 Cb 0.00 -0.02 -0.21 0.00 0.68 0.00 0.00 39.33 39.78 3i1s h ASP 85 CO 0.00 0.07 1.17 0.00 -1.61 0.00 0.00 179.24 178.88 3i1s n ALA 86 N -2.61 6.47 0.00 -0.78 0.00 0.10 -3.15 120.51 120.54 3i1s n ALA 86 Ca 0.13 -3.93 0.00 0.00 0.00 0.00 0.00 53.44 49.63 3i1s n ALA 86 Cb 0.63 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3i1s n ALA 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1s n LEU 87 N 0.46 0.00 0.00 0.00 -0.00 -0.38 -4.16 117.00 112.92 3i1s n LEU 87 Ca 0.53 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.65 3i1s n LEU 87 Cb 0.33 0.00 0.55 0.00 -0.00 0.00 0.00 43.42 44.30 3i1s n LEU 87 CO 0.50 0.00 0.86 0.23 -0.00 0.00 0.00 177.39 178.98 3i1s n MET 88 N -0.52 0.29 -0.10 1.96 2.81 0.48 -1.49 117.12 120.56 3i1s n MET 88 Ca 0.00 0.08 0.12 0.00 -1.81 0.00 0.00 57.70 56.09 3i1s n MET 88 Cb 0.00 -1.50 0.24 0.00 -0.71 0.00 0.00 33.22 31.25 3i1s n MET 88 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3i1s n ARG 89 N -1.30 2.25 -2.97 0.03 0.63 -1.19 -4.35 116.66 109.76 3i1s n ARG 89 Ca 0.10 -1.86 -0.24 0.00 -0.92 0.00 0.00 57.85 54.93 3i1s n ARG 89 Cb 0.18 -1.48 -0.03 0.00 0.45 0.00 0.00 32.46 31.59 3i1s n ARG 89 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3i1s n LEU 90 N 1.13 3.37 -4.25 6.15 0.00 -0.55 -5.01 117.00 117.85 3i1s n LEU 90 Ca 0.17 -5.40 -0.43 0.00 0.00 0.00 0.00 56.01 50.36 3i1s n LEU 90 Cb 0.53 -0.16 -0.04 0.00 0.00 0.00 0.00 43.42 43.75 3i1s n LEU 90 CO 0.15 2.30 0.33 1.51 0.00 0.00 0.00 177.39 181.68 3i1s s ASP 91 N -3.18 6.29 0.00 1.96 3.84 -1.26 -4.75 116.67 119.58 3i1s s ASP 91 Ca 0.46 -2.87 0.00 0.00 -0.00 0.00 0.00 52.55 50.14 3i1s s ASP 91 Cb 0.31 -2.08 0.00 0.00 -1.38 0.00 0.00 42.92 39.77 3i1s s ASP 91 CO -0.12 -0.47 0.00 0.00 -0.00 0.00 0.00 175.17 174.58 3i1s n LEU 92 N 3.63 0.00 -4.28 2.11 -0.00 -1.26 -4.97 117.00 112.24 3i1s n LEU 92 Ca 0.13 -0.10 -0.29 0.00 -0.00 0.00 0.00 56.01 55.75 3i1s n LEU 92 Cb 0.43 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.77 3i1s n LEU 92 CO 0.34 0.00 1.50 0.00 -0.00 0.00 0.00 177.39 179.23 3i1s n ALA 93 N -0.22 1.54 -1.19 1.47 0.00 -1.26 -4.91 120.51 115.94 3i1s n ALA 93 Ca 0.00 -2.83 -0.30 0.00 0.00 0.00 0.00 53.44 50.31 3i1s n ALA 93 Cb 0.00 -3.51 0.24 0.00 0.00 0.00 0.00 19.45 16.18 3i1s n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1s s ALA 94 N 11.17 0.80 0.00 0.00 0.00 -1.26 -4.49 121.76 127.99 3i1s s ALA 94 Ca 0.70 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.63 3i1s s ALA 94 Cb 0.03 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.30 3i1s s ALA 94 CO 0.17 -3.49 0.00 0.41 0.00 0.00 0.00 175.76 172.85 3i1s n GLY 95 N -1.33 3.04 0.00 0.00 0.00 -1.26 -5.02 105.19 100.63 3i1s n GLY 95 Ca 0.14 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3i1s n GLY 95 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i1s n VAL 96 N 0.00 0.00 -4.80 1.61 0.24 -1.26 -4.99 118.33 109.12 3i1s n VAL 96 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.06 3i1s n VAL 96 Cb 0.00 -0.80 -0.15 0.00 -1.47 0.00 0.00 33.84 31.42 3i1s n VAL 96 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i1s s ASP 97 N -1.00 2.01 -0.42 -1.34 -1.08 -0.79 -5.05 116.67 109.00 3i1s s ASP 97 Ca 0.00 -0.32 0.06 0.00 -0.52 0.00 0.00 52.55 51.77 3i1s s ASP 97 Cb 0.00 -0.22 0.20 0.00 -1.46 0.00 0.00 42.92 41.44 3i1s s ASP 97 CO 0.00 0.20 0.47 0.52 0.52 0.00 0.00 175.17 176.88 3i1s n VAL 98 N 2.62 -0.87 -2.94 1.11 0.31 -1.26 -2.46 118.33 114.83 3i1s n VAL 98 Ca -0.15 -3.25 -0.43 0.00 -0.01 0.00 0.00 64.34 60.50 3i1s n VAL 98 Cb 0.54 -1.30 -0.05 0.00 -0.91 0.00 0.00 33.84 32.13 3i1s n VAL 98 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3i1s s GLN 99 N -0.20 3.22 0.43 5.55 0.74 -1.20 -4.89 119.66 123.32 3i1s s GLN 99 Ca 0.33 -0.59 -0.20 0.00 0.05 0.00 0.00 55.36 54.96 3i1s s GLN 99 Cb 0.09 -4.11 -0.10 0.00 1.10 0.00 0.00 33.01 29.99 3i1s s GLN 99 CO -0.16 -1.47 0.94 0.42 -0.55 0.00 0.00 175.29 174.46 3i1s s ILE 100 N 3.55 4.44 -0.20 -2.34 1.01 -1.26 -3.48 121.20 122.92 3i1s s ILE 100 Ca 0.24 1.40 -0.27 0.00 0.00 0.00 0.00 60.65 62.01 3i1s s ILE 100 Cb -0.16 -3.62 0.09 0.00 0.01 0.00 0.00 42.46 38.79 3i1s s ILE 100 CO 0.15 -0.36 0.83 -0.44 0.00 0.00 0.00 174.94 175.11 3i1s s SER 101 N -2.33 -0.59 0.00 3.58 0.01 -0.60 -5.00 113.70 108.76 3i1s s SER 101 Ca 0.61 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.82 3i1s s SER 101 Cb -0.09 0.89 0.00 0.00 0.21 0.00 0.00 66.02 67.03 3i1s s SER 101 CO 0.16 -0.34 0.00 -0.11 0.41 0.00 0.00 173.24 173.36