#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 s PRO 5 N 0.00 3.00 0.26 1.97 0.02 -1.26 -4.96 135.00 134.04 3i56 s PRO 5 Ca 0.00 1.10 0.25 0.00 0.02 0.00 0.00 61.00 62.37 3i56 s PRO 5 Cb 0.00 -1.99 0.92 0.00 0.02 0.00 0.00 34.50 33.45 3i56 s PRO 5 CO 0.00 -1.05 1.75 0.00 -0.33 0.00 0.00 177.00 177.37 3i56 h ALA 6 N -0.27 1.00 0.00 -1.55 0.00 -2.01 -3.10 119.26 113.33 3i56 h ALA 6 Ca -0.45 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3i56 h ALA 6 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3i56 h ALA 6 CO 0.56 0.00 -0.02 0.66 0.00 0.00 0.00 179.25 180.45 3i56 h SER 7 N 0.00 0.00 1.63 0.00 4.64 -2.00 0.46 113.55 118.28 3i56 h SER 7 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3i56 h SER 7 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3i56 h SER 7 CO 0.00 0.02 -0.35 0.24 -0.87 0.00 0.00 176.83 175.88 3i56 h MET 8 N 0.00 0.00 0.00 4.77 2.86 -1.94 -3.39 114.93 117.22 3i56 h MET 8 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i56 h MET 8 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3i56 h MET 8 CO 0.00 0.35 0.00 0.66 1.06 0.00 0.00 176.91 178.98 3i56 n TYR 9 N -3.19 0.00 0.13 -0.22 4.02 -0.16 -4.91 117.16 112.82 3i56 n TYR 9 Ca 0.03 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.93 3i56 n TYR 9 Cb 0.67 0.00 0.34 0.00 -0.02 0.00 0.00 39.34 40.32 3i56 n TYR 9 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 3i56 h ARG 10 N 0.00 0.19 -7.38 -0.72 0.11 -0.37 -3.43 114.38 102.78 3i56 h ARG 10 Ca 0.00 -0.06 -0.50 0.00 0.10 0.00 0.00 59.98 59.51 3i56 h ARG 10 Cb 0.21 -0.02 0.06 0.00 1.11 0.00 0.00 29.97 31.34 3i56 h ARG 10 CO 0.00 0.44 0.41 -0.51 0.10 0.00 0.00 179.97 180.42 3i56 s ASP 11 N -6.89 6.01 -0.45 0.08 1.01 -1.26 -0.72 116.67 114.46 3i56 s ASP 11 Ca -0.05 1.33 0.04 0.00 0.71 0.00 0.00 52.55 54.58 3i56 s ASP 11 Cb 0.15 -2.31 0.52 0.00 1.01 0.00 0.00 42.92 42.28 3i56 s ASP 11 CO 0.74 -0.99 1.70 -0.38 0.21 0.00 0.00 175.17 176.45 3i56 n ILE 12 N -2.81 3.04 0.39 0.77 5.41 -1.26 -4.69 119.36 120.21 3i56 n ILE 12 Ca 0.06 -2.87 0.13 0.00 1.00 0.00 0.00 62.75 61.07 3i56 n ILE 12 Cb 0.55 -0.76 0.36 0.00 -0.71 0.00 0.00 39.64 39.09 3i56 n ILE 12 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 3i56 h ASP 13 N 1.51 0.00 -3.43 4.38 3.04 -1.97 -3.46 116.42 116.49 3i56 h ASP 13 Ca 0.47 0.00 -0.48 0.00 -3.24 0.00 0.00 57.03 53.78 3i56 h ASP 13 Cb 1.66 0.00 0.04 0.00 -1.04 0.00 0.00 39.33 39.99 3i56 h ASP 13 CO 1.00 0.00 0.09 -0.54 -2.04 0.00 0.00 179.24 177.74 3i56 s LYS 14 N -3.25 3.24 0.93 4.15 1.02 -1.26 -5.08 119.74 119.49 3i56 s LYS 14 Ca 0.07 -0.01 -0.12 0.00 0.02 0.00 0.00 55.97 55.93 3i56 s LYS 14 Cb 0.09 -2.38 0.15 0.00 -0.52 0.00 0.00 37.83 35.16 3i56 s LYS 14 CO 0.59 -0.37 1.09 -2.14 -0.92 0.00 0.00 175.35 173.61 3i56 s PRO 15 N -4.78 0.96 -0.31 -1.68 0.02 -1.26 -4.94 135.00 123.02 3i56 s PRO 15 Ca 0.49 0.67 -0.29 0.00 0.02 0.00 0.00 61.00 61.89 3i56 s PRO 15 Cb -0.10 -1.79 -0.00 0.00 0.02 0.00 0.00 34.50 32.63 3i56 s PRO 15 CO 0.43 -2.40 1.37 0.00 -0.33 0.00 0.00 177.00 176.07 3i56 s ALA 16 N -2.97 3.29 -0.59 -1.55 0.00 -1.26 -4.94 121.76 113.74 3i56 s ALA 16 Ca 0.64 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.73 3i56 s ALA 16 Cb -0.18 -3.82 0.15 0.00 0.00 0.00 0.00 23.12 19.27 3i56 s ALA 16 CO 0.57 -1.91 0.36 -0.47 0.00 0.00 0.00 175.76 174.31 3i56 s TYR 17 N 4.69 3.31 0.00 0.00 5.04 -1.26 -4.87 117.35 124.26 3i56 s TYR 17 Ca 0.59 -3.04 0.00 0.00 -2.44 0.00 0.00 57.07 52.18 3i56 s TYR 17 Cb -0.17 -2.95 0.00 0.00 0.35 0.00 0.00 41.96 39.19 3i56 s TYR 17 CO 0.26 -0.75 0.00 0.25 -1.34 0.00 0.00 175.55 173.96 3i56 n THR 18 N 3.09 0.00 -1.55 4.34 -2.24 -1.26 -0.88 114.28 115.78 3i56 n THR 18 Ca 0.08 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.61 3i56 n THR 18 Cb 0.34 -0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 3i56 n THR 18 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i56 n ARG 19 N -0.92 0.71 0.15 -0.78 5.12 -1.26 -4.83 116.66 114.86 3i56 n ARG 19 Ca 0.00 -0.41 0.12 0.00 -1.93 0.00 0.00 57.85 55.63 3i56 n ARG 19 Cb 0.10 -3.36 0.56 0.00 -1.16 0.00 0.00 32.46 28.60 3i56 n ARG 19 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3i56 n ARG 20 N 8.72 0.17 0.02 5.56 1.74 -1.26 -1.90 116.66 129.70 3i56 n ARG 20 Ca 0.45 0.54 0.10 0.00 -0.77 0.00 0.00 57.85 58.17 3i56 n ARG 20 Cb 0.45 -1.94 0.44 0.00 -1.02 0.00 0.00 32.46 30.40 3i56 n ARG 20 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3i56 n GLU 21 N -2.28 0.03 0.00 5.56 0.00 -1.26 -3.08 120.64 119.61 3i56 n GLU 21 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.33 3i56 n GLU 21 Cb 0.13 -1.55 0.00 0.00 0.00 0.00 0.00 31.44 30.02 3i56 n GLU 21 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3i56 n TYR 22 N -1.61 0.00 -4.36 -1.84 4.02 -0.80 -5.01 117.16 107.57 3i56 n TYR 22 Ca 0.05 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.60 3i56 n TYR 22 Cb 0.25 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.43 3i56 n TYR 22 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3i56 s ILE 23 N -0.80 3.16 0.24 -0.72 1.01 -1.08 -5.12 121.20 117.88 3i56 s ILE 23 Ca 0.00 -0.60 0.11 0.00 0.00 0.00 0.00 60.65 60.17 3i56 s ILE 23 Cb 0.00 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 3i56 s ILE 23 CO 0.00 0.48 -0.21 0.42 0.00 0.00 0.00 174.94 175.63 3i56 s THR 24 N 0.87 2.35 -0.35 2.92 -4.23 -1.26 -4.68 115.64 111.25 3i56 s THR 24 Ca -0.03 -2.22 -0.01 0.00 -1.18 0.00 0.00 61.69 58.25 3i56 s THR 24 Cb -0.15 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.50 3i56 s THR 24 CO 0.00 -0.29 0.16 0.61 -0.54 0.00 0.00 174.62 174.56 3i56 n GLY 25 N -0.21 0.43 3.66 3.99 0.00 -1.26 -4.84 105.19 106.96 3i56 n GLY 25 Ca -0.09 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 3i56 n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i56 s ILE 26 N -2.73 4.82 0.36 -0.61 1.01 -1.26 -4.83 121.20 117.96 3i56 s ILE 26 Ca 0.08 1.71 -0.28 0.00 0.00 0.00 0.00 60.65 62.16 3i56 s ILE 26 Cb -0.04 -4.17 -0.10 0.00 0.01 0.00 0.00 42.46 38.16 3i56 s ILE 26 CO 0.10 -0.05 1.30 -2.84 0.00 0.00 0.00 174.94 173.45 3i56 s PRO 27 N 2.58 4.23 0.73 2.79 0.02 -1.26 -4.99 135.00 139.10 3i56 s PRO 27 Ca 0.39 2.19 -0.15 0.00 0.02 0.00 0.00 61.00 63.45 3i56 s PRO 27 Cb -0.16 -2.96 0.04 0.00 0.02 0.00 0.00 34.50 31.44 3i56 s PRO 27 CO 0.10 -0.29 1.20 0.20 -0.33 0.00 0.00 177.00 177.88 3i56 s GLY 28 N -0.58 2.33 0.18 0.52 0.00 -1.26 -4.76 107.32 103.76 3i56 s GLY 28 Ca 0.52 0.86 -0.31 0.00 0.00 0.00 0.00 44.72 45.79 3i56 s GLY 28 CO 0.51 1.26 1.42 -0.45 0.00 0.00 0.00 173.10 175.85 3i56 s SER 29 N -2.07 6.74 0.00 1.64 0.15 -1.26 -4.91 113.70 114.00 3i56 s SER 29 Ca 0.74 2.50 0.22 0.00 0.70 0.00 0.00 55.95 60.11 3i56 s SER 29 Cb -0.29 -2.60 1.01 0.00 -1.71 0.00 0.00 66.02 62.43 3i56 s SER 29 CO 0.45 -0.67 1.71 0.29 1.20 0.00 0.00 173.24 176.22 3i56 n LYS 30 N 3.18 0.14 -2.26 5.44 5.02 -1.26 -4.79 118.16 123.62 3i56 n LYS 30 Ca 0.09 0.11 -0.42 0.00 -2.02 0.00 0.00 58.31 56.07 3i56 n LYS 30 Cb 0.41 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 3i56 n LYS 30 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i56 s ILE 31 N -2.82 3.71 0.00 -0.18 1.01 -1.26 -4.91 121.20 116.75 3i56 s ILE 31 Ca 0.15 1.15 0.00 0.00 0.00 0.00 0.00 60.65 61.95 3i56 s ILE 31 Cb 0.15 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.88 3i56 s ILE 31 CO 0.37 0.03 0.15 0.00 0.00 0.00 0.00 174.94 175.49 3i56 n ALA 32 N 4.86 -0.07 -2.90 9.38 0.00 -1.26 -4.98 120.51 125.53 3i56 n ALA 32 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 3i56 n ALA 32 Cb 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 3i56 n ALA 32 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3i56 s GLN 33 N -1.16 0.44 -0.06 0.00 1.03 -1.26 -5.04 119.66 113.60 3i56 s GLN 33 Ca 0.00 -0.68 0.16 0.00 0.04 0.00 0.00 55.36 54.87 3i56 s GLN 33 Cb 0.00 -0.14 -0.22 0.00 0.03 0.00 0.00 33.01 32.68 3i56 s GLN 33 CO 0.00 0.01 0.51 0.72 -2.54 0.00 0.00 175.29 173.99 3i56 n HIS 34 N 1.56 0.63 -3.46 9.60 8.25 -1.26 -4.83 115.22 125.70 3i56 n HIS 34 Ca -0.23 0.22 -0.39 0.00 -0.26 0.00 0.00 57.72 57.06 3i56 n HIS 34 Cb 0.55 -1.06 -0.10 0.00 1.12 0.00 0.00 29.99 30.50 3i56 n HIS 34 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3i56 s LYS 35 N -2.70 3.91 0.27 -0.41 -0.14 -1.26 -1.78 119.74 117.63 3i56 s LYS 35 Ca -0.06 -0.16 0.09 0.00 -1.36 0.00 0.00 55.97 54.48 3i56 s LYS 35 Cb 0.08 -3.68 -0.05 0.00 -1.68 0.00 0.00 37.83 32.49 3i56 s LYS 35 CO 0.83 -0.28 -0.13 -1.64 -0.76 0.00 0.00 175.35 173.37 3i56 s MET 36 N 1.95 1.59 5.40 1.68 -1.94 -0.13 -4.96 119.30 122.89 3i56 s MET 36 Ca 0.12 -1.76 0.00 0.00 -1.71 0.00 0.00 55.69 52.33 3i56 s MET 36 Cb -0.16 -1.44 0.00 0.00 2.01 0.00 0.00 34.83 35.24 3i56 s MET 36 CO 0.11 0.18 0.00 0.41 -0.01 0.00 0.00 175.02 175.71 3i56 n GLY 37 N -0.59 0.30 3.36 -0.03 0.00 -1.26 -2.38 105.19 104.60 3i56 n GLY 37 Ca -0.06 -0.77 -0.46 0.00 0.00 0.00 0.00 46.02 44.73 3i56 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i56 s ARG 38 N 0.00 3.82 0.00 1.61 0.52 -0.59 -4.89 118.95 119.42 3i56 s ARG 38 Ca 0.00 -2.58 0.17 0.00 -0.52 0.00 0.00 55.73 52.80 3i56 s ARG 38 Cb 0.00 -4.60 0.92 0.00 0.52 0.00 0.00 34.95 31.79 3i56 s ARG 38 CO 0.00 -1.39 1.44 0.36 0.02 0.00 0.00 175.30 175.73 3i56 n LYS 39 N 4.16 0.38 -0.01 3.54 2.85 -1.26 -2.79 118.16 125.04 3i56 n LYS 39 Ca 0.20 0.07 -0.07 0.00 -1.05 0.00 0.00 58.31 57.46 3i56 n LYS 39 Cb 0.45 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.20 3i56 n LYS 39 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 3i56 h GLN 40 N 0.00 0.00 -7.26 -1.58 4.20 -1.97 -3.47 115.11 105.03 3i56 h GLN 40 Ca 0.00 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.22 3i56 h GLN 40 Cb 0.08 0.00 0.04 0.00 0.30 0.00 0.00 27.48 27.89 3i56 h GLN 40 CO 0.00 0.46 0.38 0.21 -0.67 0.00 0.00 178.83 179.21 3i56 s LYS 41 N -2.67 3.76 0.52 1.46 2.20 -1.12 -5.07 119.74 118.83 3i56 s LYS 41 Ca -0.04 0.81 -0.07 0.00 -0.36 0.00 0.00 55.97 56.32 3i56 s LYS 41 Cb 0.08 -2.12 -0.04 0.00 -1.51 0.00 0.00 37.83 34.24 3i56 s LYS 41 CO 0.82 -0.41 0.86 -0.51 -0.36 0.00 0.00 175.35 175.75 3i56 s ASP 42 N -3.66 6.22 0.41 1.43 1.11 -1.26 -4.99 116.67 115.94 3i56 s ASP 42 Ca 0.56 1.05 0.23 0.00 0.18 0.00 0.00 52.55 54.57 3i56 s ASP 42 Cb -0.10 -2.28 0.54 0.00 1.07 0.00 0.00 42.92 42.14 3i56 s ASP 42 CO 0.43 -0.68 1.67 0.00 1.18 0.00 0.00 175.17 177.77 3i56 h ALA 43 N 0.06 0.92 0.00 5.23 0.00 -1.97 -3.09 119.26 120.40 3i56 h ALA 43 Ca -0.46 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3i56 h ALA 43 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3i56 h ALA 43 CO 0.62 0.23 -0.27 -0.25 0.00 0.00 0.00 179.25 179.57 3i56 n ASP 44 N -3.19 0.37 0.00 0.00 8.00 -1.26 -3.68 116.55 116.78 3i56 n ASP 44 Ca 0.02 0.18 0.16 0.00 0.71 0.00 0.00 54.79 55.86 3i56 n ASP 44 Cb 0.53 -0.17 0.93 0.00 -0.02 0.00 0.00 41.12 42.39 3i56 n ASP 44 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3i56 n ASP 45 N -1.67 0.00 -4.41 -2.24 9.92 -1.17 -4.80 116.55 112.18 3i56 n ASP 45 Ca 0.06 -1.00 -0.33 0.00 -0.53 0.00 0.00 54.79 52.99 3i56 n ASP 45 Cb 0.36 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.70 3i56 n ASP 45 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3i56 s TYR 46 N -2.00 2.80 0.17 1.24 1.51 -1.24 -5.03 117.35 114.81 3i56 s TYR 46 Ca 0.47 -0.48 0.21 0.00 -1.01 0.00 0.00 57.07 56.26 3i56 s TYR 46 Cb 0.21 -1.79 0.82 0.00 -0.11 0.00 0.00 41.96 41.09 3i56 s TYR 46 CO 0.36 -0.09 1.79 -1.35 -1.11 0.00 0.00 175.55 175.16 3i56 h PRO 47 N 6.32 0.00 -5.26 -1.71 0.11 -1.87 -3.44 132.00 126.15 3i56 h PRO 47 Ca -0.32 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.12 3i56 h PRO 47 Cb 1.20 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.99 3i56 h PRO 47 CO 0.55 0.30 -0.85 0.08 -0.21 0.00 0.00 178.00 177.87 3i56 s VAL 48 N -3.68 2.29 -0.25 3.15 1.01 -0.97 -4.57 120.40 117.38 3i56 s VAL 48 Ca 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3i56 s VAL 48 Cb 0.11 -1.92 0.07 0.00 0.00 0.00 0.00 36.38 34.64 3i56 s VAL 48 CO 0.66 0.54 -0.02 -1.58 0.00 0.00 0.00 175.10 174.70 3i56 s GLN 49 N 0.59 1.46 -0.14 2.72 0.74 -1.26 -0.92 119.66 122.85 3i56 s GLN 49 Ca -0.11 -1.05 0.00 0.00 0.05 0.00 0.00 55.36 54.25 3i56 s GLN 49 Cb -0.16 -2.56 -0.01 0.00 1.10 0.00 0.00 33.01 31.38 3i56 s GLN 49 CO 0.03 -0.67 -0.14 0.42 -0.55 0.00 0.00 175.29 174.38 3i56 s ILE 50 N 1.40 2.83 0.10 -2.34 1.01 -0.10 -0.03 121.20 124.07 3i56 s ILE 50 Ca -0.03 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 59.97 3i56 s ILE 50 Cb -0.19 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 3i56 s ILE 50 CO -0.08 0.52 -0.11 -0.44 0.00 0.00 0.00 174.94 174.83 3i56 s SER 51 N 0.57 4.33 -0.35 3.58 0.01 -0.47 -0.57 113.70 120.80 3i56 s SER 51 Ca -0.09 -0.39 -0.13 0.00 1.31 0.00 0.00 55.95 56.65 3i56 s SER 51 Cb -0.16 -0.81 -0.01 0.00 0.21 0.00 0.00 66.02 65.25 3i56 s SER 51 CO 0.04 0.19 0.24 -0.22 0.41 0.00 0.00 173.24 173.89 3i56 s LEU 52 N -2.13 4.58 -0.20 2.44 2.96 0.51 -1.96 118.68 124.87 3i56 s LEU 52 Ca 0.21 -0.54 -0.06 0.00 -0.22 0.00 0.00 54.13 53.51 3i56 s LEU 52 Cb -0.11 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 3i56 s LEU 52 CO 0.13 -0.27 0.04 -0.63 -1.32 0.00 0.00 176.35 174.30 3i56 s ILE 53 N 1.69 4.39 -0.04 6.68 1.01 -0.08 -1.08 121.20 133.77 3i56 s ILE 53 Ca 0.06 -0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.24 3i56 s ILE 53 Cb -0.18 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 3i56 s ILE 53 CO 0.10 0.42 1.10 -0.69 0.00 0.00 0.00 174.94 175.87 3i56 s VAL 54 N 0.83 4.49 -0.12 2.92 1.01 -0.72 -0.65 120.40 128.16 3i56 s VAL 54 Ca 0.02 1.79 0.15 0.00 0.00 0.00 0.00 61.98 63.95 3i56 s VAL 54 Cb -0.14 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 3i56 s VAL 54 CO 0.02 0.05 1.11 -0.33 0.00 0.00 0.00 175.10 175.95 3i56 h GLU 55 N 7.12 0.00 -6.37 2.72 5.08 -1.68 0.34 114.58 121.79 3i56 h GLU 55 Ca -0.36 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.39 3i56 h GLU 55 Cb 1.18 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 3i56 h GLU 55 CO 0.84 0.42 -0.72 -1.21 -1.00 0.00 0.00 179.01 177.33 3i56 s GLU 56 N -2.92 1.98 -0.59 2.33 2.02 -1.26 -4.44 118.70 115.81 3i56 s GLU 56 Ca 0.00 -1.42 -0.25 0.00 0.02 0.00 0.00 54.97 53.32 3i56 s GLU 56 Cb 0.08 -2.05 0.04 0.00 0.10 0.00 0.00 34.13 32.30 3i56 s GLU 56 CO 0.78 0.40 1.03 0.99 0.02 0.00 0.00 175.26 178.48 3i56 s THR 57 N -1.97 4.23 0.39 3.63 2.01 -1.26 -3.95 115.64 118.72 3i56 s THR 57 Ca 0.27 0.33 0.04 0.00 0.31 0.00 0.00 61.69 62.64 3i56 s THR 57 Cb -0.07 -4.64 -0.03 0.00 0.01 0.00 0.00 72.50 67.77 3i56 s THR 57 CO 0.15 -1.29 0.15 0.68 -0.69 0.00 0.00 174.62 173.62 3i56 s VAL 58 N 4.36 0.52 -0.21 3.82 -7.23 -0.44 -4.74 120.40 116.47 3i56 s VAL 58 Ca 0.32 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 3i56 s VAL 58 Cb -0.12 -2.39 0.04 0.00 0.56 0.00 0.00 36.38 34.46 3i56 s VAL 58 CO 0.19 0.00 -0.16 -1.10 -0.31 0.00 0.00 175.10 173.72 3i56 s GLN 59 N -3.70 2.70 -0.23 4.82 -0.21 0.11 -0.81 119.66 122.34 3i56 s GLN 59 Ca 0.27 -1.03 -0.07 0.00 0.02 0.00 0.00 55.36 54.55 3i56 s GLN 59 Cb 0.03 -2.72 -0.03 0.00 1.00 0.00 0.00 33.01 31.29 3i56 s GLN 59 CO 0.16 -0.36 0.06 -0.51 -2.12 0.00 0.00 175.29 172.52 3i56 s LEU 60 N 1.22 3.49 0.75 2.90 1.43 -0.45 -4.34 118.68 123.67 3i56 s LEU 60 Ca -0.01 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 3i56 s LEU 60 Cb -0.16 -1.92 0.05 0.00 0.03 0.00 0.00 46.19 44.19 3i56 s LEU 60 CO -0.09 0.03 1.11 -0.13 0.23 0.00 0.00 176.35 177.49 3i56 s ARG 61 N 1.25 2.31 0.48 1.70 0.52 -1.26 0.39 118.95 124.33 3i56 s ARG 61 Ca 0.05 1.31 0.14 0.00 -0.52 0.00 0.00 55.73 56.70 3i56 s ARG 61 Cb -0.15 -1.89 1.11 0.00 0.52 0.00 0.00 34.95 34.54 3i56 s ARG 61 CO 0.03 -1.62 2.09 1.12 0.02 0.00 0.00 175.30 176.94 3i56 h HIS 62 N -0.78 0.11 -0.13 -0.53 2.07 -1.75 -0.73 115.15 113.41 3i56 h HIS 62 Ca -0.45 -0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 56.94 3i56 h HIS 62 Cb 1.24 -0.04 -0.01 0.00 2.57 0.00 0.00 27.41 31.18 3i56 h HIS 62 CO 0.55 0.12 -0.50 0.78 -3.07 0.00 0.00 177.93 175.81 3i56 h GLY 63 N 0.25 0.39 1.49 6.13 0.00 -1.92 -0.87 103.07 108.54 3i56 h GLY 63 Ca 0.03 -0.43 -0.28 0.00 0.00 0.00 0.00 47.33 46.65 3i56 h GLY 63 CO 0.00 0.39 -1.21 1.76 0.00 0.00 0.00 176.54 177.48 3i56 h SER 64 N 0.29 0.59 -0.73 0.19 0.02 -1.71 -0.95 113.55 111.25 3i56 h SER 64 Ca 0.01 -0.58 -0.06 0.00 -0.84 0.00 0.00 61.79 60.33 3i56 h SER 64 Cb 0.98 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 3i56 h SER 64 CO 0.08 1.42 0.24 -0.07 -1.14 0.00 0.00 176.83 177.37 3i56 h LEU 65 N 0.16 1.07 -0.07 5.07 4.07 -0.98 -0.86 115.31 123.77 3i56 h LEU 65 Ca -0.15 -0.19 -0.12 0.00 0.08 0.00 0.00 57.88 57.50 3i56 h LEU 65 Cb 1.90 -0.28 0.01 0.00 1.08 0.00 0.00 40.66 43.37 3i56 h LEU 65 CO 0.21 0.98 -0.42 -0.08 -1.08 0.00 0.00 178.44 178.05 3i56 h GLU 66 N 1.10 0.40 0.00 1.13 4.57 -1.18 -1.77 114.58 118.83 3i56 h GLU 66 Ca 0.24 -0.34 -0.04 0.00 -1.18 0.00 0.00 59.36 58.04 3i56 h GLU 66 Cb 0.29 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3i56 h GLU 66 CO -0.01 0.99 -0.18 0.00 -1.18 0.00 0.00 179.01 178.63 3i56 h ALA 67 N 0.42 1.70 0.07 2.92 0.00 -1.04 0.22 119.26 123.55 3i56 h ALA 67 Ca -0.03 -0.16 -0.29 0.00 0.00 0.00 0.00 54.91 54.43 3i56 h ALA 67 Cb 1.08 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3i56 h ALA 67 CO 0.09 0.23 -1.47 0.66 0.00 0.00 0.00 179.25 178.75 3i56 h SER 68 N 0.00 0.24 -0.23 0.00 4.64 -1.17 -3.04 113.55 113.99 3i56 h SER 68 Ca -0.00 -0.34 -0.16 0.00 -0.47 0.00 0.00 61.79 60.81 3i56 h SER 68 Cb 0.32 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3i56 h SER 68 CO 0.02 1.29 -0.50 -0.09 -0.87 0.00 0.00 176.83 176.68 3i56 h ARG 69 N 0.04 0.74 0.51 4.77 2.43 -0.84 -2.81 114.38 119.21 3i56 h ARG 69 Ca -0.21 -0.49 -0.03 0.00 -0.81 0.00 0.00 59.98 58.44 3i56 h ARG 69 Cb 1.97 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 31.59 3i56 h ARG 69 CO 0.14 1.12 -0.25 1.25 -1.51 0.00 0.00 179.97 180.72 3i56 h LEU 70 N 0.46 -0.58 0.00 3.80 5.85 -0.70 -0.73 115.31 123.41 3i56 h LEU 70 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3i56 h LEU 70 Cb 1.11 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3i56 h LEU 70 CO 0.11 -0.32 0.00 -1.54 -0.34 0.00 0.00 178.44 176.35 3i56 n SER 71 N -5.33 0.00 -0.12 1.25 3.41 -1.15 -0.81 113.62 110.87 3i56 n SER 71 Ca -0.12 0.06 -0.25 0.00 -0.26 0.00 0.00 58.87 58.31 3i56 n SER 71 Cb 0.31 -0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 3i56 n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i56 n ALA 72 N -1.26 1.00 0.18 7.33 0.00 -1.05 -4.10 120.51 122.62 3i56 n ALA 72 Ca 0.06 -0.84 0.05 0.00 0.00 0.00 0.00 53.44 52.71 3i56 n ALA 72 Cb 0.09 -0.14 0.33 0.00 0.00 0.00 0.00 19.45 19.73 3i56 n ALA 72 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3i56 h ASN 73 N -1.00 0.00 0.40 0.00 -0.00 -0.82 -2.72 115.58 111.44 3i56 h ASN 73 Ca -0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 56.30 55.68 3i56 h ASN 73 Cb 1.44 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.74 3i56 h ASN 73 CO -0.31 0.40 -0.45 -0.09 -0.00 0.00 0.00 177.43 176.98 3i56 h ARG 74 N 0.00 0.07 0.02 6.67 2.43 -1.18 -0.01 114.38 122.38 3i56 h ARG 74 Ca -0.00 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 58.91 3i56 h ARG 74 Cb 0.88 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3i56 h ARG 74 CO 0.05 0.51 -0.96 1.25 -1.51 0.00 0.00 179.97 179.31 3i56 h HIS 75 N 0.06 0.50 0.00 2.20 2.76 -1.65 -1.32 115.15 117.70 3i56 h HIS 75 Ca 0.00 -0.29 -0.11 0.00 -2.20 0.00 0.00 60.37 57.78 3i56 h HIS 75 Cb 0.82 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.72 3i56 h HIS 75 CO 0.00 1.12 -0.51 -0.07 -1.30 0.00 0.00 177.93 177.17 3i56 h LEU 76 N 0.18 0.00 -0.01 0.26 3.38 -1.15 -1.36 115.31 116.60 3i56 h LEU 76 Ca -0.08 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.65 3i56 h LEU 76 Cb 1.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 3i56 h LEU 76 CO 0.16 0.51 -1.09 0.40 0.09 0.00 0.00 178.44 178.51 3i56 h ILE 77 N 0.00 1.53 -0.16 1.22 2.04 -0.92 -1.33 117.51 119.89 3i56 h ILE 77 Ca -0.01 -2.99 -0.09 0.00 1.00 0.00 0.00 64.86 62.78 3i56 h ILE 77 Cb 0.98 2.78 -0.00 0.00 -0.74 0.00 0.00 36.82 39.84 3i56 h ILE 77 CO 0.07 0.87 -0.26 0.50 0.00 0.00 0.00 178.15 179.33 3i56 h LYS 78 N 0.08 0.46 0.04 2.37 3.64 -1.03 -1.32 116.57 120.80 3i56 h LYS 78 Ca -0.09 -0.28 -0.27 0.00 -1.27 0.00 0.00 60.65 58.74 3i56 h LYS 78 Cb 1.80 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.61 3i56 h LYS 78 CO 0.17 0.87 -1.47 0.93 -2.27 0.00 0.00 179.45 177.68 3i56 h GLU 79 N 0.08 0.07 -0.02 1.90 4.39 -1.34 -3.38 114.58 116.29 3i56 h GLU 79 Ca 0.01 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3i56 h GLU 79 Cb 0.84 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 3i56 h GLU 79 CO 0.06 0.83 0.00 1.28 -1.16 0.00 0.00 179.01 180.02 3i56 n LEU 80 N -3.26 1.95 0.00 1.33 4.77 -0.50 -5.09 117.00 116.20 3i56 n LEU 80 Ca -0.12 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.85 3i56 n LEU 80 Cb 1.02 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 3i56 n LEU 80 CO 0.47 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 3i56 n GLY 81 N 0.63 -0.95 0.06 -0.72 0.00 -0.50 -3.23 105.19 100.48 3i56 n GLY 81 Ca 0.07 -1.63 0.09 0.00 0.00 0.00 0.00 46.02 44.55 3i56 n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i56 n GLU 82 N -0.89 0.09 -2.24 1.61 1.02 -1.25 -3.07 120.64 115.91 3i56 n GLU 82 Ca 0.00 0.33 -0.03 0.00 -0.02 0.00 0.00 57.16 57.44 3i56 n GLU 82 Cb 0.00 -1.67 0.05 0.00 -0.02 0.00 0.00 31.44 29.80 3i56 n GLU 82 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3i56 n GLU 83 N -1.84 1.68 -1.00 3.49 1.02 -1.26 -4.99 120.64 117.73 3i56 n GLU 83 Ca 0.03 -3.28 -0.29 0.00 -0.02 0.00 0.00 57.16 53.60 3i56 n GLU 83 Cb 0.19 -1.38 0.19 0.00 -0.02 0.00 0.00 31.44 30.42 3i56 n GLU 83 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i56 s GLY 84 N -3.34 1.57 -1.30 0.62 0.00 -1.18 -4.92 107.32 98.78 3i56 s GLY 84 Ca 0.34 -0.23 -0.10 0.00 0.00 0.00 0.00 44.72 44.73 3i56 s GLY 84 CO -0.06 0.39 1.89 1.34 0.00 0.00 0.00 173.10 176.67 3i56 n ASP 85 N -4.33 4.94 -3.97 1.64 2.03 -1.26 -4.58 116.55 111.02 3i56 n ASP 85 Ca 0.05 -3.07 -0.10 0.00 0.52 0.00 0.00 54.79 52.20 3i56 n ASP 85 Cb 0.56 -1.51 -0.06 0.00 -0.72 0.00 0.00 41.12 39.39 3i56 n ASP 85 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3i56 s TYR 86 N 0.86 0.37 -0.26 -0.67 -0.85 -1.26 -4.25 117.35 111.30 3i56 s TYR 86 Ca 0.41 -0.72 -0.09 0.00 -0.52 0.00 0.00 57.07 56.15 3i56 s TYR 86 Cb 0.09 0.07 0.11 0.00 0.38 0.00 0.00 41.96 42.62 3i56 s TYR 86 CO -0.01 -0.86 0.56 -1.59 -1.52 0.00 0.00 175.55 172.13 3i56 s LYS 87 N -3.99 0.48 -0.02 -3.49 -2.85 -0.94 -1.54 119.74 107.39 3i56 s LYS 87 Ca 0.20 1.28 0.04 0.00 -1.00 0.00 0.00 55.97 56.49 3i56 s LYS 87 Cb 0.01 0.63 -0.03 0.00 -2.06 0.00 0.00 37.83 36.39 3i56 s LYS 87 CO 0.05 -0.22 -0.13 1.41 0.10 0.00 0.00 175.35 176.56 3i56 s MET 88 N 2.73 2.42 -0.02 1.78 1.75 -1.00 -0.86 119.30 126.11 3i56 s MET 88 Ca -0.04 -0.76 0.04 0.00 -1.25 0.00 0.00 55.69 53.68 3i56 s MET 88 Cb -0.12 -2.37 -0.01 0.00 2.84 0.00 0.00 34.83 35.17 3i56 s MET 88 CO -0.16 0.60 -0.15 0.99 -0.65 0.00 0.00 175.02 175.64 3i56 s THR 89 N -0.83 1.23 -0.42 10.11 2.01 0.21 -0.96 115.64 126.99 3i56 s THR 89 Ca 0.13 -0.65 -0.09 0.00 0.31 0.00 0.00 61.69 61.40 3i56 s THR 89 Cb -0.11 -1.04 0.08 0.00 0.01 0.00 0.00 72.50 71.45 3i56 s THR 89 CO 0.03 0.35 0.26 -0.22 -0.69 0.00 0.00 174.62 174.35 3i56 s LEU 90 N -0.23 5.16 0.16 4.42 2.96 -0.73 -1.87 118.68 128.55 3i56 s LEU 90 Ca 0.03 -1.53 0.26 0.00 -0.22 0.00 0.00 54.13 52.67 3i56 s LEU 90 Cb -0.07 -1.98 0.77 0.00 0.50 0.00 0.00 46.19 45.41 3i56 s LEU 90 CO 0.00 -0.54 1.70 -2.11 -1.32 0.00 0.00 176.35 174.09 3i56 n ARG 91 N 4.90 0.23 -3.72 1.98 1.85 -0.95 -4.83 116.66 116.12 3i56 n ARG 91 Ca -0.10 0.16 -0.37 0.00 -1.00 0.00 0.00 57.85 56.55 3i56 n ARG 91 Cb 0.43 -1.74 -0.06 0.00 -1.05 0.00 0.00 32.46 30.03 3i56 n ARG 91 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3i56 s LYS 92 N -3.10 3.79 -0.02 2.89 -0.14 -1.26 -5.10 119.74 116.81 3i56 s LYS 92 Ca 0.10 0.01 0.04 0.00 -1.36 0.00 0.00 55.97 54.76 3i56 s LYS 92 Cb 0.13 -3.27 -0.03 0.00 -1.68 0.00 0.00 37.83 32.98 3i56 s LYS 92 CO 0.61 0.60 -0.14 -0.06 -0.76 0.00 0.00 175.35 175.60 3i56 s PHE 93 N -0.57 2.70 -1.08 3.18 0.40 -1.26 -5.07 117.98 116.27 3i56 s PHE 93 Ca 0.16 -0.16 -0.22 0.00 -0.60 0.00 0.00 56.93 56.11 3i56 s PHE 93 Cb -0.13 -1.58 0.02 0.00 0.51 0.00 0.00 43.02 41.84 3i56 s PHE 93 CO 0.05 0.24 1.66 -1.25 0.70 0.00 0.00 175.22 176.62 3i56 s PRO 94 N -1.04 3.39 -0.09 0.24 0.04 -1.26 -4.58 135.00 131.70 3i56 s PRO 94 Ca 0.13 -1.19 -0.00 0.00 0.04 0.00 0.00 61.00 59.98 3i56 s PRO 94 Cb -0.11 -5.34 -0.25 0.00 0.04 0.00 0.00 34.50 28.84 3i56 s PRO 94 CO 0.03 -2.61 0.50 0.45 0.04 0.00 0.00 177.00 175.41 3i56 h HIS 95 N 9.52 0.33 -2.81 0.56 3.86 -1.84 -3.41 115.15 121.37 3i56 h HIS 95 Ca 0.24 -0.24 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 3i56 h HIS 95 Cb 0.97 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.41 3i56 h HIS 95 CO 1.30 1.51 0.94 -1.14 0.86 0.00 0.00 177.93 181.40 3i56 s GLN 96 N -2.58 4.23 -0.00 2.45 2.00 -0.62 -4.51 119.66 120.63 3i56 s GLN 96 Ca -0.16 1.93 -0.23 0.00 -2.00 0.00 0.00 55.36 54.90 3i56 s GLN 96 Cb 0.07 -3.78 -0.05 0.00 0.80 0.00 0.00 33.01 30.05 3i56 s GLN 96 CO 0.79 -0.71 0.69 0.08 -0.50 0.00 0.00 175.29 175.64 3i56 s VAL 97 N 3.35 4.88 -0.10 1.34 1.01 -0.06 0.34 120.40 131.16 3i56 s VAL 97 Ca 0.64 1.45 -0.03 0.00 0.00 0.00 0.00 61.98 64.04 3i56 s VAL 97 Cb -0.28 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3i56 s VAL 97 CO 0.23 0.35 0.04 -0.76 0.00 0.00 0.00 175.10 174.96 3i56 s LEU 98 N 0.14 3.77 0.40 3.92 1.43 0.84 -4.83 118.68 124.34 3i56 s LEU 98 Ca 0.36 0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.74 3i56 s LEU 98 Cb -0.19 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3i56 s LEU 98 CO 0.20 0.37 0.21 -0.13 0.23 0.00 0.00 176.35 177.22 3i56 s ARG 99 N -0.82 2.31 -0.24 1.70 0.52 -1.26 -1.02 118.95 120.14 3i56 s ARG 99 Ca 0.13 -1.73 -0.14 0.00 -0.52 0.00 0.00 55.73 53.47 3i56 s ARG 99 Cb -0.12 -2.09 0.07 0.00 0.52 0.00 0.00 34.95 33.33 3i56 s ARG 99 CO 0.03 -0.08 0.59 -2.00 0.02 0.00 0.00 175.30 173.85 3i56 s GLU 100 N -3.93 0.60 -1.13 3.54 2.12 -0.68 -4.83 118.70 114.39 3i56 s GLU 100 Ca 0.42 1.06 -0.17 0.00 0.36 0.00 0.00 54.97 56.63 3i56 s GLU 100 Cb 0.01 0.09 0.12 0.00 0.26 0.00 0.00 34.13 34.62 3i56 s GLU 100 CO 0.24 -0.15 1.42 1.21 -0.54 0.00 0.00 175.26 177.43 3i56 s ASN 101 N 1.49 6.84 -0.73 -1.70 2.47 -1.26 -1.91 114.94 120.13 3i56 s ASN 101 Ca -0.09 -2.44 0.04 0.00 0.42 0.00 0.00 52.86 50.79 3i56 s ASN 101 Cb -0.06 -2.46 0.18 0.00 -1.45 0.00 0.00 41.25 37.46 3i56 s ASN 101 CO -0.16 -1.01 0.55 2.29 -3.72 0.00 0.00 177.10 175.04 3i56 n LYS 102 N 6.86 1.99 -0.01 0.43 2.85 -1.26 -5.05 118.16 123.97 3i56 n LYS 102 Ca 0.35 -4.51 0.00 0.00 -1.05 0.00 0.00 58.31 53.11 3i56 n LYS 102 Cb 0.46 -2.30 0.00 0.00 -0.65 0.00 0.00 35.03 32.54 3i56 n LYS 102 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3i56 n ASP 114 N 1.92 -0.02 0.00 -5.58 4.64 -1.26 -4.91 116.55 111.35 3i56 n ASP 114 Ca 0.21 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.62 3i56 n ASP 114 Cb 0.36 -0.01 0.00 0.00 -1.04 0.00 0.00 41.12 40.43 3i56 n ASP 114 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3i56 n GLY 115 N 2.97 1.66 0.62 0.27 0.00 -1.26 -4.97 105.19 104.47 3i56 n GLY 115 Ca 0.00 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.91 3i56 n GLY 115 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i56 n MET 116 N 0.00 1.26 -2.59 1.61 2.81 -1.26 -4.83 117.12 114.13 3i56 n MET 116 Ca 0.00 -1.40 -0.41 0.00 -1.81 0.00 0.00 57.70 54.08 3i56 n MET 116 Cb 0.00 -1.30 -0.04 0.00 -0.71 0.00 0.00 33.22 31.17 3i56 n MET 116 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 3i56 s ARG 117 N -1.37 4.63 -1.40 0.03 3.52 -1.26 -3.17 118.95 119.93 3i56 s ARG 117 Ca 0.18 1.63 -0.05 0.00 -0.13 0.00 0.00 55.73 57.36 3i56 s ARG 117 Cb 0.13 -3.31 0.03 0.00 -1.56 0.00 0.00 34.95 30.24 3i56 s ARG 117 CO 0.21 0.12 0.76 0.00 -0.81 0.00 0.00 175.30 175.59 3i56 n ALA 118 N 2.53 -1.76 0.29 6.12 0.00 -1.26 -4.88 120.51 121.54 3i56 n ALA 118 Ca 0.03 -0.06 0.17 0.00 0.00 0.00 0.00 53.44 53.58 3i56 n ALA 118 Cb 0.47 -2.73 0.97 0.00 0.00 0.00 0.00 19.45 18.16 3i56 n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i56 h ALA 119 N 0.90 1.44 -1.97 0.00 0.00 -1.87 -3.44 119.26 114.33 3i56 h ALA 119 Ca -0.60 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 53.72 3i56 h ALA 119 Cb 1.37 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.16 3i56 h ALA 119 CO 0.61 -0.05 1.36 0.34 0.00 0.00 0.00 179.25 181.51 3i56 n PHE 120 N -3.64 2.12 -1.34 0.00 7.35 -1.26 -4.63 117.46 116.05 3i56 n PHE 120 Ca -0.02 -0.12 -0.29 0.00 -0.76 0.00 0.00 57.45 56.26 3i56 n PHE 120 Cb 0.12 -2.71 0.16 0.00 0.35 0.00 0.00 39.48 37.40 3i56 n PHE 120 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3i56 s GLY 121 N 6.55 1.57 0.25 7.13 0.00 -1.26 -4.94 107.32 116.62 3i56 s GLY 121 Ca 0.98 -0.44 -0.10 0.00 0.00 0.00 0.00 44.72 45.16 3i56 s GLY 121 CO 0.41 0.15 0.58 -1.59 0.00 0.00 0.00 173.10 172.65 3i56 s LYS 122 N -5.11 3.82 0.01 2.90 -2.85 -0.80 -4.66 119.74 113.04 3i56 s LYS 122 Ca 0.65 0.32 -0.30 0.00 -1.00 0.00 0.00 55.97 55.64 3i56 s LYS 122 Cb -0.17 -2.61 -0.06 0.00 -2.06 0.00 0.00 37.83 32.93 3i56 s LYS 122 CO 0.56 0.28 1.56 0.42 0.10 0.00 0.00 175.35 178.26 3i56 s ILE 123 N -1.87 3.43 -0.04 3.79 1.09 -1.26 -1.69 121.20 124.64 3i56 s ILE 123 Ca 0.48 0.77 0.01 0.00 -1.10 0.00 0.00 60.65 60.82 3i56 s ILE 123 Cb -0.11 -3.50 -0.02 0.00 -1.06 0.00 0.00 42.46 37.78 3i56 s ILE 123 CO 0.21 -0.02 0.05 1.33 -0.10 0.00 0.00 174.94 176.41 3i56 n VAL 124 N 4.90 0.00 -3.17 2.92 0.24 -0.18 -4.88 118.33 118.16 3i56 n VAL 124 Ca 0.15 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 3i56 n VAL 124 Cb 0.42 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 3i56 n VAL 124 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i56 n GLY 125 N 1.46 -1.13 3.09 7.63 0.00 -1.09 -4.86 105.19 110.28 3i56 n GLY 125 Ca 0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.02 3i56 n GLY 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i56 s THR 126 N -3.00 0.81 0.09 2.61 -4.23 -1.26 -0.11 115.64 110.55 3i56 s THR 126 Ca 0.00 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 3i56 s THR 126 Cb 0.00 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 73.02 3i56 s THR 126 CO 0.00 -0.15 -0.02 0.00 -0.54 0.00 0.00 174.62 173.91 3i56 s ALA 127 N -0.99 0.82 -0.25 3.99 0.00 0.15 -1.87 121.76 123.61 3i56 s ALA 127 Ca -0.03 -1.34 -0.02 0.00 0.00 0.00 0.00 51.96 50.57 3i56 s ALA 127 Cb -0.08 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.44 3i56 s ALA 127 CO 0.01 -0.34 -0.06 0.00 0.00 0.00 0.00 175.76 175.37 3i56 s ALA 128 N -3.82 2.71 -0.49 0.00 0.00 0.16 -1.59 121.76 118.72 3i56 s ALA 128 Ca 0.14 -1.47 -0.28 0.00 0.00 0.00 0.00 51.96 50.35 3i56 s ALA 128 Cb 0.07 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.50 3i56 s ALA 128 CO -0.05 -0.82 1.41 1.03 0.00 0.00 0.00 175.76 177.33 3i56 s ARG 129 N 1.33 3.43 -0.17 0.00 0.52 -1.26 -1.35 118.95 121.44 3i56 s ARG 129 Ca 0.00 0.68 -0.02 0.00 -0.52 0.00 0.00 55.73 55.86 3i56 s ARG 129 Cb -0.17 -4.08 -0.01 0.00 0.52 0.00 0.00 34.95 31.21 3i56 s ARG 129 CO -0.04 -1.77 -0.08 0.08 0.02 0.00 0.00 175.30 173.51 3i56 s VAL 130 N 5.78 3.32 0.62 3.52 1.01 0.01 -5.02 120.40 129.63 3i56 s VAL 130 Ca 0.56 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 3i56 s VAL 130 Cb -0.12 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 3i56 s VAL 130 CO 0.29 0.48 0.98 -1.10 0.00 0.00 0.00 175.10 175.74 3i56 s GLN 131 N 0.84 3.23 0.38 2.72 -1.52 -1.26 -1.33 119.66 122.72 3i56 s GLN 131 Ca -0.02 0.41 -0.27 0.00 -1.95 0.00 0.00 55.36 53.53 3i56 s GLN 131 Cb -0.15 -2.15 -0.09 0.00 -0.22 0.00 0.00 33.01 30.40 3i56 s GLN 131 CO 0.01 -0.67 1.27 0.00 -0.25 0.00 0.00 175.29 175.64 3i56 s ALA 132 N -3.12 3.29 0.00 6.09 0.00 -1.25 -2.78 121.76 123.99 3i56 s ALA 132 Ca 0.54 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.67 3i56 s ALA 132 Cb -0.11 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3i56 s ALA 132 CO 0.50 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.97 3i56 n GLY 133 N 0.71 1.56 3.85 0.00 0.00 0.12 -4.97 105.19 106.45 3i56 n GLY 133 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3i56 n GLY 133 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i56 s GLU 134 N -0.15 3.96 -0.23 1.61 2.02 -1.12 -4.82 118.70 119.98 3i56 s GLU 134 Ca 0.00 0.74 -0.23 0.00 0.02 0.00 0.00 54.97 55.49 3i56 s GLU 134 Cb 0.00 -2.32 -0.01 0.00 0.10 0.00 0.00 34.13 31.90 3i56 s GLU 134 CO 0.00 -0.01 0.77 -0.65 0.02 0.00 0.00 175.26 175.39 3i56 s GLN 135 N -3.47 4.18 -0.21 1.61 -0.21 -1.26 -1.76 119.66 118.53 3i56 s GLN 135 Ca 0.55 0.84 -0.19 0.00 0.02 0.00 0.00 55.36 56.58 3i56 s GLN 135 Cb -0.10 -3.63 -0.17 0.00 1.00 0.00 0.00 33.01 30.11 3i56 s GLN 135 CO 0.23 -0.45 0.09 -0.11 -2.12 0.00 0.00 175.29 172.93 3i56 n LEU 136 N 5.78 1.87 -4.40 2.90 7.94 -0.25 -4.71 117.00 126.13 3i56 n LEU 136 Ca 0.03 0.42 -0.28 0.00 -1.11 0.00 0.00 56.01 55.08 3i56 n LEU 136 Cb 0.48 -0.94 -0.12 0.00 0.53 0.00 0.00 43.42 43.37 3i56 n LEU 136 CO 0.46 0.26 -0.55 -0.36 -1.11 0.00 0.00 177.39 176.08 3i56 s PHE 137 N -2.38 2.27 -0.17 1.96 0.40 -1.19 -2.23 117.98 116.64 3i56 s PHE 137 Ca -0.29 -0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 55.61 3i56 s PHE 137 Cb 0.07 -1.19 0.09 0.00 0.51 0.00 0.00 43.02 42.49 3i56 s PHE 137 CO 0.55 0.39 0.31 0.99 0.70 0.00 0.00 175.22 178.15 3i56 s THR 138 N -1.30 -0.48 -0.04 0.64 2.01 -0.78 -0.36 115.64 115.33 3i56 s THR 138 Ca 0.16 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.36 3i56 s THR 138 Cb -0.09 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 3i56 s THR 138 CO 0.07 0.02 -0.19 0.00 -0.69 0.00 0.00 174.62 173.83 3i56 s ALA 139 N 2.47 2.44 -0.18 7.40 0.00 0.26 -0.62 121.76 133.52 3i56 s ALA 139 Ca 0.03 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.94 3i56 s ALA 139 Cb -0.13 -0.79 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 3i56 s ALA 139 CO -0.11 0.54 -0.11 0.71 0.00 0.00 0.00 175.76 176.79 3i56 s TYR 140 N -0.64 2.87 0.31 0.00 1.51 -0.04 -0.92 117.35 120.44 3i56 s TYR 140 Ca 0.10 -1.04 0.05 0.00 -1.01 0.00 0.00 57.07 55.17 3i56 s TYR 140 Cb -0.11 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 3i56 s TYR 140 CO 0.00 -0.52 0.27 0.00 -1.11 0.00 0.00 175.55 174.19 3i56 s ASN 142 N -3.32 6.44 0.33 0.00 0.01 -1.26 -2.30 114.94 114.85 3i56 s ASN 142 Ca 0.39 0.53 0.09 0.00 -0.71 0.00 0.00 52.86 53.16 3i56 s ASN 142 Cb 0.03 -2.06 0.99 0.00 0.41 0.00 0.00 41.25 40.62 3i56 s ASN 142 CO 0.24 -0.01 1.57 0.58 -1.51 0.00 0.00 177.10 177.98 3i56 h VAL 143 N 1.79 0.00 -0.05 1.60 2.07 -1.95 -0.61 116.25 119.10 3i56 h VAL 143 Ca -0.47 -0.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 3i56 h VAL 143 Cb 1.18 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3i56 h VAL 143 CO 0.70 0.00 -0.40 1.05 0.02 0.00 0.00 177.57 178.95 3i56 h GLU 144 N 0.00 0.11 -0.43 1.57 4.11 -2.00 -3.09 114.58 114.85 3i56 h GLU 144 Ca 0.70 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 60.08 3i56 h GLU 144 Cb 1.63 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 3i56 h GLU 144 CO -0.87 0.49 0.00 -0.25 0.07 0.00 0.00 179.01 178.45 3i56 n ASP 145 N -4.05 2.43 -0.29 3.06 8.00 -0.24 -4.50 116.55 120.96 3i56 n ASP 145 Ca -0.02 -1.97 -0.04 0.00 0.71 0.00 0.00 54.79 53.48 3i56 n ASP 145 Cb 0.45 -0.28 0.11 0.00 -0.02 0.00 0.00 41.12 41.38 3i56 n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i56 h ALA 146 N 3.90 1.18 0.00 2.24 0.00 -1.49 -2.78 119.26 122.32 3i56 h ALA 146 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3i56 h ALA 146 Cb 0.62 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i56 h ALA 146 CO 0.00 0.64 0.00 0.39 0.00 0.00 0.00 179.25 180.28 3i56 n GLU 147 N -4.32 0.22 0.02 0.00 -0.58 -1.26 -2.44 120.64 112.28 3i56 n GLU 147 Ca 0.08 0.03 -0.18 0.00 -0.42 0.00 0.00 57.16 56.67 3i56 n GLU 147 Cb 0.12 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.35 3i56 n GLU 147 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3i56 h HIS 148 N 0.00 0.39 0.00 -0.32 3.86 -1.82 -3.26 115.15 114.01 3i56 h HIS 148 Ca 0.00 -0.29 -0.13 0.00 -1.16 0.00 0.00 60.37 58.79 3i56 h HIS 148 Cb 0.35 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 3i56 h HIS 148 CO 0.00 1.54 -0.64 -0.24 0.86 0.00 0.00 177.93 179.45 3i56 h VAL 149 N 0.06 1.18 0.00 2.45 3.04 -1.46 -1.95 116.25 119.58 3i56 h VAL 149 Ca -0.36 -2.43 -0.01 0.00 -1.01 0.00 0.00 66.70 62.89 3i56 h VAL 149 Cb 2.03 2.42 -0.00 0.00 -2.01 0.00 0.00 31.29 33.74 3i56 h VAL 149 CO 0.11 0.62 -0.04 0.11 -1.01 0.00 0.00 177.57 177.36 3i56 h LYS 150 N 0.00 0.00 0.00 4.17 1.57 -1.62 -2.54 116.57 118.16 3i56 h LYS 150 Ca -0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 3i56 h LYS 150 Cb 1.37 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.66 3i56 h LYS 150 CO 0.08 0.04 -1.47 -1.91 -0.57 0.00 0.00 179.45 175.62 3i56 n GLU 151 N -3.14 0.63 0.07 3.15 4.07 -1.11 -2.92 120.64 121.39 3i56 n GLU 151 Ca 0.01 0.10 -0.07 0.00 -0.06 0.00 0.00 57.16 57.14 3i56 n GLU 151 Cb 0.39 -1.74 0.08 0.00 -0.06 0.00 0.00 31.44 30.11 3i56 n GLU 151 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i56 h ALA 152 N 1.67 0.76 0.00 4.31 0.00 -1.03 -2.68 119.26 122.28 3i56 h ALA 152 Ca -0.12 -0.56 -0.20 0.00 0.00 0.00 0.00 54.91 54.03 3i56 h ALA 152 Cb 1.36 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3i56 h ALA 152 CO 0.02 0.74 -0.98 0.74 0.00 0.00 0.00 179.25 179.77 3i56 h PHE 153 N 0.22 0.00 0.00 0.00 0.05 -1.59 -2.10 116.94 113.53 3i56 h PHE 153 Ca -0.01 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.70 3i56 h PHE 153 Cb 1.17 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 39.11 3i56 h PHE 153 CO 0.03 0.94 -0.39 -0.09 -0.18 0.00 0.00 178.31 178.62 3i56 h ARG 154 N 0.00 0.00 0.02 1.51 2.43 -1.40 0.14 114.38 117.07 3i56 h ARG 154 Ca -0.02 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.89 3i56 h ARG 154 Cb 1.74 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.25 3i56 h ARG 154 CO 0.12 0.39 -1.32 0.00 -1.51 0.00 0.00 179.97 177.65 3i56 h ARG 155 N 0.00 0.03 -0.12 0.20 3.08 -1.47 -3.34 114.38 112.77 3i56 h ARG 155 Ca -0.00 -0.06 -0.23 0.00 0.07 0.00 0.00 59.98 59.76 3i56 h ARG 155 Cb 0.71 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.80 3i56 h ARG 155 CO 0.05 0.84 -0.82 0.00 -1.07 0.00 0.00 179.97 178.97 3i56 h ALA 156 N 0.93 0.31 0.00 0.04 0.00 -0.70 -3.17 119.26 116.67 3i56 h ALA 156 Ca -0.14 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3i56 h ALA 156 Cb 1.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3i56 h ALA 156 CO 0.12 0.70 0.00 2.48 0.00 0.00 0.00 179.25 182.54 3i56 n TYR 157 N -3.91 0.34 0.77 0.00 0.18 0.42 -2.22 117.16 112.74 3i56 n TYR 157 Ca -0.08 0.13 0.13 0.00 1.88 0.00 0.00 57.90 59.97 3i56 n TYR 157 Cb 0.77 -0.72 0.42 0.00 -0.38 0.00 0.00 39.34 39.43 3i56 n TYR 157 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 3i56 n ASN 158 N -1.81 0.51 -0.60 9.48 3.02 -1.20 -3.94 115.26 120.73 3i56 n ASN 158 Ca 0.03 0.40 0.06 0.00 -0.03 0.00 0.00 54.58 55.03 3i56 n ASN 158 Cb 0.19 -0.44 0.15 0.00 -0.61 0.00 0.00 39.78 39.07 3i56 n ASN 158 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i56 n LYS 159 N -1.93 2.87 -3.27 3.52 5.02 -0.94 -5.00 118.16 118.43 3i56 n LYS 159 Ca 0.06 -2.13 -0.17 0.00 -2.02 0.00 0.00 58.31 54.05 3i56 n LYS 159 Cb 0.39 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 3i56 n LYS 159 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3i56 n ILE 160 N 0.20 0.00 0.01 -0.18 -5.35 -1.25 -4.63 119.36 108.16 3i56 n ILE 160 Ca 0.12 -1.29 -0.22 0.00 -0.27 0.00 0.00 62.75 61.09 3i56 n ILE 160 Cb 0.49 0.11 -0.14 0.00 -1.74 0.00 0.00 39.64 38.36 3i56 n ILE 160 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3i56 h THR 161 N 0.97 0.75 -3.07 7.28 2.02 -1.93 -3.49 112.91 115.43 3i56 h THR 161 Ca -0.22 -2.37 -0.46 0.00 0.77 0.00 0.00 66.41 64.14 3i56 h THR 161 Cb 0.71 2.56 0.10 0.00 -1.74 0.00 0.00 68.15 69.77 3i56 h THR 161 CO 0.36 0.83 0.21 -2.16 0.37 0.00 0.00 175.52 175.12 3i56 s PRO 162 N -2.54 1.64 0.38 6.66 0.04 -1.26 -5.07 135.00 134.86 3i56 s PRO 162 Ca -0.21 -0.68 -0.17 0.00 0.04 0.00 0.00 61.00 59.98 3i56 s PRO 162 Cb 0.06 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 3i56 s PRO 162 CO 0.77 -1.56 0.83 -1.12 0.04 0.00 0.00 177.00 175.95 3i56 s SER 163 N -4.69 6.79 0.27 6.66 0.01 -1.26 -4.93 113.70 116.55 3i56 s SER 163 Ca 0.66 1.42 0.03 0.00 1.31 0.00 0.00 55.95 59.36 3i56 s SER 163 Cb -0.07 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 3i56 s SER 163 CO 0.46 -0.31 0.05 0.00 0.41 0.00 0.00 173.24 173.85 3i56 s ARG 165 N -3.93 1.80 -0.56 0.00 0.52 0.17 -4.94 118.95 112.01 3i56 s ARG 165 Ca 0.34 -1.11 -0.02 0.00 -0.52 0.00 0.00 55.73 54.42 3i56 s ARG 165 Cb 0.07 -1.97 0.14 0.00 0.52 0.00 0.00 34.95 33.72 3i56 s ARG 165 CO 0.12 0.51 0.36 0.42 0.02 0.00 0.00 175.30 176.73 3i56 s ILE 166 N -0.80 3.51 -0.24 1.52 1.01 -1.26 -0.90 121.20 124.04 3i56 s ILE 166 Ca 0.12 -2.74 -0.10 0.00 0.00 0.00 0.00 60.65 57.93 3i56 s ILE 166 Cb -0.10 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 3i56 s ILE 166 CO 0.02 -0.82 0.15 -0.75 0.00 0.00 0.00 174.94 173.54 3i56 s LYS 167 N 0.25 4.05 -0.32 2.79 2.20 -0.83 -4.98 119.74 122.90 3i56 s LYS 167 Ca 0.15 -0.28 -0.20 0.00 -0.36 0.00 0.00 55.97 55.27 3i56 s LYS 167 Cb -0.21 -3.51 -0.01 0.00 -1.51 0.00 0.00 37.83 32.59 3i56 s LYS 167 CO -0.03 0.07 0.63 0.08 -0.36 0.00 0.00 175.35 175.74 3i56 s VAL 168 N 1.02 4.92 -0.10 4.02 1.01 -1.26 -1.37 120.40 128.63 3i56 s VAL 168 Ca 0.07 0.77 0.16 0.00 0.00 0.00 0.00 61.98 62.98 3i56 s VAL 168 Cb -0.13 -4.03 -0.20 0.00 0.00 0.00 0.00 36.38 32.02 3i56 s VAL 168 CO 0.04 -0.20 0.62 -0.62 0.00 0.00 0.00 175.10 174.94 3i56 n GLU 169 N 5.94 0.64 -2.74 2.72 4.71 0.96 -4.56 120.64 128.30 3i56 n GLU 169 Ca -0.01 0.18 -0.19 0.00 -0.01 0.00 0.00 57.16 57.13 3i56 n GLU 169 Cb 0.49 -1.74 -0.00 0.00 -1.01 0.00 0.00 31.44 29.18 3i56 n GLU 169 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3i56 n ARG 170 N -2.88 2.19 -3.69 3.49 1.74 -1.22 -4.94 116.66 111.35 3i56 n ARG 170 Ca -0.16 -3.94 -0.29 0.00 -0.77 0.00 0.00 57.85 52.70 3i56 n ARG 170 Cb 0.95 -1.81 -0.12 0.00 -1.02 0.00 0.00 32.46 30.46 3i56 n ARG 170 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3i56 s GLY 171 N -3.19 1.86 0.00 -0.13 0.00 -1.26 -3.99 107.32 100.61 3i56 s GLY 171 Ca 0.40 -2.85 0.25 0.00 0.00 0.00 0.00 44.72 42.51 3i56 s GLY 171 CO -0.08 1.56 1.50 1.18 0.00 0.00 0.00 173.10 177.25 3i56 n GLU 172 N 3.03 2.03 -3.00 2.90 -0.58 -1.26 -4.71 120.64 119.05 3i56 n GLU 172 Ca 0.16 -1.52 -0.44 0.00 -0.42 0.00 0.00 57.16 54.94 3i56 n GLU 172 Cb 0.37 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 3i56 n GLU 172 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3i56 n GLU 173 N 0.80 3.65 0.00 3.49 4.71 -1.26 -5.29 120.64 126.74 3i56 n GLU 173 Ca 0.17 -4.13 0.00 0.00 -0.01 0.00 0.00 57.16 53.19 3i56 n GLU 173 Cb 0.47 -2.76 0.00 0.00 -1.01 0.00 0.00 31.44 28.14 3i56 n GLU 173 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11