#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3z n ALA 3 N 0.00 -0.08 -2.41 4.61 0.00 -1.26 -5.03 120.51 116.34 2h3z n ALA 3 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.92 2h3z n ALA 3 Cb 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2h3z n ALA 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2h3z s ARG 4 N -3.07 4.57 0.09 0.00 0.52 -1.26 -5.01 118.95 114.79 2h3z s ARG 4 Ca 0.05 1.23 -0.15 0.00 -0.52 0.00 0.00 55.73 56.35 2h3z s ARG 4 Cb -0.00 -3.38 0.05 0.00 0.52 0.00 0.00 34.95 32.13 2h3z s ARG 4 CO 0.03 0.21 0.69 0.00 0.02 0.00 0.00 175.30 176.25 2h3z n ALA 5 N 2.99 -1.83 -0.69 2.13 0.00 -1.26 -5.17 120.51 116.67 2h3z n ALA 5 Ca 0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 53.44 52.75 2h3z n ALA 5 Cb 0.50 0.31 0.12 0.00 0.00 0.00 0.00 19.45 20.38 2h3z n ALA 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2h3z n SER 6 N -0.98 -2.81 -0.01 0.00 2.88 -1.26 -4.93 113.62 106.51 2h3z n SER 6 Ca -0.01 -0.34 -0.12 0.00 -1.33 0.00 0.00 58.87 57.07 2h3z n SER 6 Cb 0.37 -0.40 -0.08 0.00 -0.75 0.00 0.00 64.21 63.35 2h3z n SER 6 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2h3z h VAL 7 N -2.62 1.25 -3.79 2.46 2.07 -1.92 -3.44 116.25 110.26 2h3z h VAL 7 Ca -0.15 -0.77 -0.68 0.00 0.82 0.00 0.00 66.70 65.91 2h3z h VAL 7 Cb 0.52 1.69 -0.28 0.00 -1.52 0.00 0.00 31.29 31.70 2h3z h VAL 7 CO 0.09 0.21 -0.81 -0.76 0.02 0.00 0.00 177.57 176.32 2h3z s LEU 8 N -9.55 2.47 0.00 2.57 1.43 -1.26 -4.44 118.68 109.90 2h3z s LEU 8 Ca -0.15 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2h3z s LEU 8 Cb 0.04 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.76 2h3z s LEU 8 CO 0.68 0.25 0.00 -1.54 0.23 0.00 0.00 176.35 175.97 2h3z n SER 9 N 2.94 -0.32 0.37 2.29 3.41 -1.26 -4.60 113.62 116.43 2h3z n SER 9 Ca -0.18 -0.64 -0.14 0.00 -0.26 0.00 0.00 58.87 57.65 2h3z n SER 9 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 2h3z n SER 9 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2h3z h GLY 10 N -0.16 -0.99 1.02 5.00 0.00 -2.00 0.13 103.07 106.07 2h3z h GLY 10 Ca 0.00 0.37 0.05 0.00 0.00 0.00 0.00 47.33 47.75 2h3z h GLY 10 CO 0.00 -0.36 0.52 -1.33 0.00 0.00 0.00 176.54 175.37 2h3z h GLY 11 N -1.08 1.10 0.98 4.60 0.00 -2.02 -2.28 103.07 104.37 2h3z h GLY 11 Ca -0.10 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 2h3z h GLY 11 CO 0.16 0.28 -0.18 0.83 0.00 0.00 0.00 176.54 177.63 2h3z h GLU 12 N 0.90 0.75 -0.50 4.80 5.08 -1.90 -3.09 114.58 120.62 2h3z h GLU 12 Ca 0.33 -0.33 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2h3z h GLU 12 Cb 0.16 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.30 2h3z h GLU 12 CO -0.11 0.94 -0.12 1.25 -1.00 0.00 0.00 179.01 179.97 2h3z h LEU 13 N 0.53 -0.46 0.25 1.33 5.85 -0.15 0.28 115.31 122.95 2h3z h LEU 13 Ca 0.08 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.95 2h3z h LEU 13 Cb 0.73 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 2h3z h LEU 13 CO 0.05 -0.16 -0.32 -0.78 -0.34 0.00 0.00 178.44 176.89 2h3z h ASP 14 N 0.00 -0.88 -0.87 1.25 1.82 -1.50 -2.08 116.42 114.15 2h3z h ASP 14 Ca 0.24 0.09 0.07 0.00 -0.39 0.00 0.00 57.03 57.04 2h3z h ASP 14 Cb 0.36 0.31 -0.07 0.00 0.68 0.00 0.00 39.33 40.62 2h3z h ASP 14 CO -0.51 -0.44 0.53 0.11 -1.61 0.00 0.00 179.24 177.32 2h3z h LYS 15 N -0.62 0.91 -0.40 0.28 1.57 -1.31 -2.17 116.57 114.82 2h3z h LYS 15 Ca -0.00 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.80 2h3z h LYS 15 Cb 0.60 -0.21 -0.07 0.00 0.08 0.00 0.00 32.23 32.63 2h3z h LYS 15 CO -0.11 0.60 -0.03 2.35 -0.57 0.00 0.00 179.45 181.70 2h3z h TRP 16 N 0.94 -0.08 0.00 -1.35 2.91 0.04 0.26 115.95 118.66 2h3z h TRP 16 Ca 0.39 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.44 2h3z h TRP 16 Cb 0.24 0.10 0.00 0.00 -0.51 0.00 0.00 29.16 28.99 2h3z h TRP 16 CO -0.04 -0.11 0.00 0.93 -1.03 0.00 0.00 178.44 178.20 2h3z h GLU 17 N 0.07 0.00 0.05 2.65 5.08 -0.76 -3.22 114.58 118.45 2h3z h GLU 17 Ca 0.20 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2h3z h GLU 17 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2h3z h GLU 17 CO -0.35 0.00 -0.02 -0.22 -1.00 0.00 0.00 179.01 177.41 2h3z h LYS 18 N 0.00 -0.06 -6.26 2.33 3.64 -0.14 -3.34 116.57 112.74 2h3z h LYS 18 Ca 0.00 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.78 2h3z h LYS 18 Cb 0.22 0.01 0.16 0.00 -0.41 0.00 0.00 32.23 32.21 2h3z h LYS 18 CO 0.00 -0.04 -0.58 -0.89 -2.27 0.00 0.00 179.45 175.67 2h3z n ILE 19 N -2.36 1.47 -4.30 2.00 5.41 -1.05 -4.62 119.36 115.91 2h3z n ILE 19 Ca -0.01 -0.50 -0.23 0.00 1.00 0.00 0.00 62.75 63.01 2h3z n ILE 19 Cb 0.02 -0.41 -0.07 0.00 -0.71 0.00 0.00 39.64 38.47 2h3z n ILE 19 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2h3z s ARG 20 N -1.50 2.27 0.21 0.38 0.52 -1.26 -1.37 118.95 118.20 2h3z s ARG 20 Ca 0.63 -1.42 -0.04 0.00 -0.52 0.00 0.00 55.73 54.38 2h3z s ARG 20 Cb -0.57 -2.15 0.16 0.00 0.52 0.00 0.00 34.95 32.91 2h3z s ARG 20 CO 0.59 0.37 1.58 -0.07 0.02 0.00 0.00 175.30 177.79 2h3z h LEU 21 N 1.94 0.71 -9.08 2.53 3.38 -1.75 -1.42 115.31 111.62 2h3z h LEU 21 Ca -0.44 -0.31 -0.62 0.00 0.09 0.00 0.00 57.88 56.60 2h3z h LEU 21 Cb 1.25 -0.20 -0.17 0.00 0.09 0.00 0.00 40.66 41.63 2h3z h LEU 21 CO 0.60 1.01 -0.79 -0.13 0.09 0.00 0.00 178.44 179.21 2h3z s ARG 22 N -4.34 1.55 0.11 1.13 0.52 -1.26 -3.98 118.95 112.68 2h3z s ARG 22 Ca -0.08 -1.61 -0.13 0.00 -0.52 0.00 0.00 55.73 53.38 2h3z s ARG 22 Cb 0.12 -1.74 -0.07 0.00 0.52 0.00 0.00 34.95 33.78 2h3z s ARG 22 CO 0.84 0.35 1.44 -1.00 0.02 0.00 0.00 175.30 176.95 2h3z h PRO 23 N 2.84 0.79 -0.55 3.54 0.13 -1.90 -3.25 132.00 133.59 2h3z h PRO 23 Ca -0.43 -0.41 -0.32 0.00 -0.87 0.00 0.00 66.00 63.96 2h3z h PRO 23 Cb 1.23 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.18 2h3z h PRO 23 CO 0.53 1.04 0.05 0.41 -0.23 0.00 0.00 178.00 179.80 2h3z n GLY 24 N 0.15 5.09 2.85 1.56 0.00 -1.26 -5.01 105.19 108.57 2h3z n GLY 24 Ca -0.03 -1.45 -0.18 0.00 0.00 0.00 0.00 46.02 44.36 2h3z n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h3z n GLY 25 N -1.07 2.57 0.00 -0.02 0.00 -1.23 -5.05 105.19 100.39 2h3z n GLY 25 Ca 0.41 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2h3z n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2h3z n LYS 26 N -1.60 1.77 -2.94 1.61 4.76 -1.26 -4.95 118.16 115.56 2h3z n LYS 26 Ca 0.02 -0.25 -0.43 0.00 -2.87 0.00 0.00 58.31 54.78 2h3z n LYS 26 Cb 0.46 -0.72 -0.05 0.00 -1.84 0.00 0.00 35.03 32.88 2h3z n LYS 26 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2h3z s LYS 27 N -0.33 3.57 0.86 1.97 2.20 -1.26 -5.05 119.74 121.71 2h3z s LYS 27 Ca 0.00 0.12 -0.10 0.00 -0.36 0.00 0.00 55.97 55.63 2h3z s LYS 27 Cb 0.00 -3.88 0.17 0.00 -1.51 0.00 0.00 37.83 32.61 2h3z s LYS 27 CO 0.00 -1.02 1.19 -0.65 -0.36 0.00 0.00 175.35 174.50 2h3z s GLN 28 N 3.29 1.09 0.24 4.03 1.11 -1.26 -2.43 119.66 125.73 2h3z s GLN 28 Ca 0.32 -0.69 -0.28 0.00 0.01 0.00 0.00 55.36 54.72 2h3z s GLN 28 Cb -0.12 -2.05 -0.09 0.00 -1.01 0.00 0.00 33.01 29.74 2h3z s GLN 28 CO 0.21 -2.00 0.90 0.71 0.01 0.00 0.00 175.29 175.11 2h3z s TYR 29 N -3.58 3.88 0.18 0.91 2.02 -0.47 -4.68 117.35 115.62 2h3z s TYR 29 Ca 0.71 1.80 -0.00 0.00 -0.37 0.00 0.00 57.07 59.20 2h3z s TYR 29 Cb -0.05 -2.90 -0.04 0.00 -0.40 0.00 0.00 41.96 38.57 2h3z s TYR 29 CO 0.49 0.40 0.08 0.21 -1.57 0.00 0.00 175.55 175.17 2h3z s LYS 30 N -1.43 1.12 0.35 -0.62 2.47 -1.26 -3.98 119.74 116.38 2h3z s LYS 30 Ca 0.42 -1.57 0.12 0.00 -1.56 0.00 0.00 55.97 53.39 2h3z s LYS 30 Cb -0.23 0.12 0.95 0.00 -1.46 0.00 0.00 37.83 37.21 2h3z s LYS 30 CO 0.28 -0.30 1.75 1.25 0.16 0.00 0.00 175.35 178.50 2h3z h LEU 31 N 2.69 0.60 -0.65 5.43 5.85 -1.98 -0.68 115.31 126.57 2h3z h LEU 31 Ca -0.36 0.11 0.13 0.00 0.84 0.00 0.00 57.88 58.60 2h3z h LEU 31 Cb 1.22 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 42.14 2h3z h LEU 31 CO 0.58 0.12 -0.20 0.11 -0.34 0.00 0.00 178.44 178.71 2h3z h LYS 32 N 0.54 -0.03 -0.44 1.25 1.57 -1.99 0.32 116.57 117.79 2h3z h LYS 32 Ca 0.61 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 2h3z h LYS 32 Cb 1.28 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 2h3z h LYS 32 CO -0.39 -0.02 0.29 0.45 -0.57 0.00 0.00 179.45 179.21 2h3z h HIS 33 N -0.03 0.55 0.03 -1.35 3.86 -1.53 -1.35 115.15 115.32 2h3z h HIS 33 Ca 0.30 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.53 2h3z h HIS 33 Cb 0.50 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.79 2h3z h HIS 33 CO -0.56 0.34 -0.01 0.82 0.86 0.00 0.00 177.93 179.38 2h3z h ILE 34 N 0.59 0.00 -1.31 2.45 2.04 -0.42 -3.20 117.51 117.66 2h3z h ILE 34 Ca 0.16 -0.05 0.40 0.00 1.00 0.00 0.00 64.86 66.37 2h3z h ILE 34 Cb -0.06 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 35.91 2h3z h ILE 34 CO -0.03 0.00 0.87 0.58 0.00 0.00 0.00 178.15 179.56 2h3z h VAL 35 N -0.09 0.24 0.49 1.67 2.07 -1.17 0.30 116.25 119.76 2h3z h VAL 35 Ca -0.00 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2h3z h VAL 35 Cb 0.03 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 2h3z h VAL 35 CO 0.01 0.02 -0.46 -0.25 0.02 0.00 0.00 177.57 176.91 2h3z h TRP 36 N 0.14 -1.26 -0.83 1.57 7.01 -1.32 0.59 115.95 121.86 2h3z h TRP 36 Ca 0.75 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.74 2h3z h TRP 36 Cb 2.41 0.48 -0.04 0.00 -2.10 0.00 0.00 29.16 29.92 2h3z h TRP 36 CO -0.00 -0.63 0.45 0.00 -2.79 0.00 0.00 178.44 175.47 2h3z h ALA 37 N -0.72 1.24 -0.52 2.65 0.00 -0.97 -2.11 119.26 118.83 2h3z h ALA 37 Ca -0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2h3z h ALA 37 Cb 0.83 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2h3z h ALA 37 CO -0.04 0.62 0.31 0.66 0.00 0.00 0.00 179.25 180.79 2h3z h SER 38 N 1.15 0.62 1.47 0.00 4.64 -0.97 0.12 113.55 120.58 2h3z h SER 38 Ca 0.29 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2h3z h SER 38 Cb 0.03 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2h3z h SER 38 CO -0.05 0.48 0.00 0.03 -0.87 0.00 0.00 176.83 176.43 2h3z h ARG 39 N 0.72 0.00 0.06 4.77 2.47 -0.24 -3.20 114.38 118.95 2h3z h ARG 39 Ca 0.19 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.57 2h3z h ARG 39 Cb -0.02 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.27 2h3z h ARG 39 CO -0.03 0.00 -1.94 -1.91 0.56 0.00 0.00 179.97 176.64 2h3z n GLU 40 N -2.40 0.70 -0.31 0.04 4.07 -0.25 -4.21 120.64 118.29 2h3z n GLU 40 Ca 0.05 0.25 -0.05 0.00 -0.06 0.00 0.00 57.16 57.35 2h3z n GLU 40 Cb 0.42 -1.72 0.08 0.00 -0.06 0.00 0.00 31.44 30.16 2h3z n GLU 40 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2h3z h LEU 41 N 0.04 1.09 -2.64 4.31 3.38 -0.87 -1.53 115.31 119.08 2h3z h LEU 41 Ca -0.39 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.46 2h3z h LEU 41 Cb 2.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.50 2h3z h LEU 41 CO 0.07 0.90 0.09 -0.08 0.09 0.00 0.00 178.44 179.52 2h3z h GLU 42 N 1.20 0.00 0.00 1.13 4.81 -1.39 0.27 114.58 120.60 2h3z h GLU 42 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2h3z h GLU 42 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2h3z h GLU 42 CO -0.04 0.00 -0.70 -0.09 -0.73 0.00 0.00 179.01 177.45 2h3z h ARG 43 N 0.00 0.00 -0.76 1.92 2.43 -1.46 -3.30 114.38 113.21 2h3z h ARG 43 Ca 0.01 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.96 2h3z h ARG 43 Cb 0.20 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.62 2h3z h ARG 43 CO -0.00 0.00 0.28 1.19 -1.51 0.00 0.00 179.97 179.93 2h3z n PHE 44 N -2.64 2.51 -2.09 2.20 3.72 0.79 -4.88 117.46 117.07 2h3z n PHE 44 Ca 0.02 -1.20 -0.16 0.00 -0.05 0.00 0.00 57.45 56.06 2h3z n PHE 44 Cb 0.52 -0.70 -0.02 0.00 -0.94 0.00 0.00 39.48 38.34 2h3z n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h3z n ALA 45 N -0.12 -0.41 -3.11 4.37 0.00 -1.16 -4.99 120.51 115.09 2h3z n ALA 45 Ca 0.41 0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.72 2h3z n ALA 45 Cb 1.40 -1.77 -0.17 0.00 0.00 0.00 0.00 19.45 18.92 2h3z n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2h3z s VAL 46 N -2.74 1.79 0.20 0.00 1.01 -0.34 -5.02 120.40 115.29 2h3z s VAL 46 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 2h3z s VAL 46 Cb 0.00 -1.55 -0.08 0.00 0.00 0.00 0.00 36.38 34.75 2h3z s VAL 46 CO 0.00 0.50 1.11 0.20 0.00 0.00 0.00 175.10 176.91 2h3z s ASN 47 N 0.24 7.25 0.00 3.32 -0.87 -1.26 -1.93 114.94 121.68 2h3z s ASN 47 Ca -0.12 2.14 0.14 0.00 -1.57 0.00 0.00 52.86 53.45 2h3z s ASN 47 Cb -0.16 -2.61 0.65 0.00 -0.02 0.00 0.00 41.25 39.11 2h3z s ASN 47 CO 0.06 -0.22 1.43 -0.81 -2.57 0.00 0.00 177.10 174.99 2h3z n PRO 48 N 2.13 0.07 0.00 -0.60 -0.04 -1.26 -2.47 135.00 132.83 2h3z n PRO 48 Ca 0.02 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 63.83 2h3z n PRO 48 Cb 0.46 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 33.00 2h3z n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h3z n GLY 49 N -0.04 -1.39 0.20 0.55 0.00 -1.26 -3.04 105.19 100.20 2h3z n GLY 49 Ca 0.05 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.06 2h3z n GLY 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2h3z h LEU 50 N 0.00 0.00 -0.41 0.99 3.38 -1.85 -3.11 115.31 114.32 2h3z h LEU 50 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2h3z h LEU 50 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2h3z h LEU 50 CO 0.00 0.19 0.00 -0.07 0.09 0.00 0.00 178.44 178.65 2h3z h LEU 51 N 0.00 0.00 -0.86 1.67 3.38 -1.76 -3.02 115.31 114.72 2h3z h LEU 51 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2h3z h LEU 51 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2h3z h LEU 51 CO 0.02 0.00 -0.32 1.05 0.09 0.00 0.00 178.44 179.28 2h3z h GLU 52 N 0.00 0.00 -5.24 1.13 4.11 -1.71 -3.43 114.58 109.44 2h3z h GLU 52 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.77 2h3z h GLU 52 Cb 0.70 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.67 2h3z h GLU 52 CO 0.00 0.32 -0.76 0.95 0.07 0.00 0.00 179.01 179.59 2h3z s THR 53 N -3.53 3.08 0.35 -1.06 -4.23 -1.14 -4.85 115.64 104.27 2h3z s THR 53 Ca 0.01 -0.64 0.13 0.00 -1.18 0.00 0.00 61.69 60.02 2h3z s THR 53 Cb 0.10 -2.32 0.34 0.00 1.34 0.00 0.00 72.50 71.97 2h3z s THR 53 CO 0.67 0.51 1.74 -1.28 -0.54 0.00 0.00 174.62 175.72 2h3z h SER 54 N 7.03 0.58 -0.94 3.99 0.87 -1.83 0.33 113.55 123.60 2h3z h SER 54 Ca -0.30 0.12 0.09 0.00 -1.23 0.00 0.00 61.79 60.47 2h3z h SER 54 Cb 1.20 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 63.12 2h3z h SER 54 CO 0.57 0.09 0.60 -0.33 -0.53 0.00 0.00 176.83 177.24 2h3z h GLU 55 N 0.50 0.95 0.16 2.24 4.39 -1.94 -1.23 114.58 119.66 2h3z h GLU 55 Ca 0.63 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.26 2h3z h GLU 55 Cb 1.35 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 2h3z h GLU 55 CO -0.41 0.63 -0.08 0.78 -1.16 0.00 0.00 179.01 178.77 2h3z h GLY 56 N 0.98 -0.23 0.99 -3.84 0.00 -0.39 -2.92 103.07 97.65 2h3z h GLY 56 Ca 0.43 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.85 2h3z h GLY 56 CO -0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 176.54 176.26 2h3z h ARG 58 N -0.03 0.11 0.18 0.00 1.12 -1.20 0.36 114.38 114.92 2h3z h ARG 58 Ca -0.00 -0.01 -0.35 0.00 -1.11 0.00 0.00 59.98 58.51 2h3z h ARG 58 Cb 0.02 -0.02 0.01 0.00 -0.01 0.00 0.00 29.97 29.97 2h3z h ARG 58 CO 0.00 0.07 -1.75 0.37 -3.11 0.00 0.00 179.97 175.55 2h3z h GLN 59 N 0.11 0.39 -0.30 0.20 4.15 -1.20 -3.26 115.11 115.19 2h3z h GLN 59 Ca 0.67 -0.66 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2h3z h GLN 59 Cb 2.35 0.25 -0.01 0.00 0.21 0.00 0.00 27.48 30.28 2h3z h GLN 59 CO -0.15 1.31 0.20 0.82 -1.93 0.00 0.00 178.83 179.08 2h3z h ILE 60 N 0.11 1.08 -0.97 2.39 2.04 0.10 -2.25 117.51 120.01 2h3z h ILE 60 Ca -0.34 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.40 2h3z h ILE 60 Cb 2.10 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 38.76 2h3z h ILE 60 CO 0.18 0.08 0.63 -0.07 0.00 0.00 0.00 178.15 178.97 2h3z h LEU 61 N 0.41 1.07 -1.82 1.44 3.38 -0.96 -0.62 115.31 118.21 2h3z h LEU 61 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2h3z h LEU 61 Cb -0.05 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.45 2h3z h LEU 61 CO -0.02 0.75 0.00 1.23 0.09 0.00 0.00 178.44 180.48 2h3z h GLY 62 N 1.25 0.00 0.14 0.83 0.00 -1.50 0.26 103.07 104.05 2h3z h GLY 62 Ca 0.38 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.54 2h3z h GLY 62 CO -0.11 0.00 -0.91 1.46 0.00 0.00 0.00 176.54 176.99 2h3z h GLN 63 N 0.00 0.06 0.00 4.80 4.20 -0.59 -3.37 115.11 120.21 2h3z h GLN 63 Ca 0.00 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.47 2h3z h GLN 63 Cb 0.38 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2h3z h GLN 63 CO 0.00 1.05 -0.64 -0.07 -0.67 0.00 0.00 178.83 178.50 2h3z h LEU 64 N -0.83 0.00 -0.48 1.46 3.38 -1.19 -3.32 115.31 114.33 2h3z h LEU 64 Ca -0.23 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.80 2h3z h LEU 64 Cb 1.32 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.98 2h3z h LEU 64 CO -0.08 0.64 -0.54 -0.61 0.09 0.00 0.00 178.44 177.94 2h3z h GLN 65 N 0.00 -0.33 0.00 1.13 4.15 -0.64 0.69 115.11 120.11 2h3z h GLN 65 Ca -0.01 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2h3z h GLN 65 Cb 1.23 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.99 2h3z h GLN 65 CO 0.08 -0.22 0.00 -0.35 -1.93 0.00 0.00 178.83 176.41 2h3z n PRO 66 N -5.37 0.37 0.00 -2.39 -0.04 -1.25 -1.79 135.00 124.54 2h3z n PRO 66 Ca -0.02 0.06 0.06 0.00 -0.04 0.00 0.00 63.50 63.56 2h3z n PRO 66 Cb 0.34 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.31 2h3z n PRO 66 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2h3z n SER 67 N -1.12 1.55 0.28 3.54 7.64 0.21 -4.45 113.62 121.27 2h3z n SER 67 Ca 0.10 -1.27 0.18 0.00 1.01 0.00 0.00 58.87 58.89 2h3z n SER 67 Cb 0.08 0.33 0.83 0.00 -1.01 0.00 0.00 64.21 64.44 2h3z n SER 67 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2h3z h LEU 68 N 1.66 0.00 -0.38 -3.43 3.38 0.20 -1.06 115.31 115.67 2h3z h LEU 68 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2h3z h LEU 68 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2h3z h LEU 68 CO 0.00 0.00 0.24 -0.61 0.09 0.00 0.00 178.44 178.16 2h3z h GLN 69 N 0.00 0.51 -0.28 1.13 4.15 -1.78 -3.20 115.11 115.65 2h3z h GLN 69 Ca 0.00 -0.04 -0.22 0.00 0.77 0.00 0.00 58.65 59.16 2h3z h GLN 69 Cb 0.32 -0.11 -0.21 0.00 0.21 0.00 0.00 27.48 27.68 2h3z h GLN 69 CO 0.00 0.37 -0.71 0.25 -1.93 0.00 0.00 178.83 176.81 2h3z n THR 70 N -4.80 2.02 -3.29 2.39 -2.24 -1.09 -5.04 114.28 102.23 2h3z n THR 70 Ca 0.00 -3.31 -0.39 0.00 -2.27 0.00 0.00 64.05 58.08 2h3z n THR 70 Cb 0.04 -0.30 -0.07 0.00 -2.10 0.00 0.00 70.33 67.90 2h3z n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2h3z s GLY 71 N -3.27 2.18 0.50 3.38 0.00 -0.42 -5.07 107.32 104.62 2h3z s GLY 71 Ca 0.41 -0.35 -0.08 0.00 0.00 0.00 0.00 44.72 44.70 2h3z s GLY 71 CO -0.04 0.94 0.30 -1.14 0.00 0.00 0.00 173.10 173.16 2h3z n SER 72 N 4.38 -2.62 0.13 1.64 3.41 -1.26 -4.62 113.62 114.67 2h3z n SER 72 Ca -0.06 -0.34 0.02 0.00 -0.26 0.00 0.00 58.87 58.23 2h3z n SER 72 Cb 0.51 -0.34 0.38 0.00 -0.26 0.00 0.00 64.21 64.49 2h3z n SER 72 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2h3z h GLU 73 N 0.00 0.21 -0.99 4.33 4.11 -1.99 -2.27 114.58 117.97 2h3z h GLU 73 Ca -0.14 -0.05 0.01 0.00 0.07 0.00 0.00 59.36 59.25 2h3z h GLU 73 Cb 0.45 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 2h3z h GLU 73 CO 0.08 0.39 0.65 0.93 0.07 0.00 0.00 179.01 181.13 2h3z h GLU 74 N 0.19 1.32 0.01 1.06 5.08 -2.01 -1.81 114.58 118.43 2h3z h GLU 74 Ca 0.04 -0.09 -0.20 0.00 -1.00 0.00 0.00 59.36 58.11 2h3z h GLU 74 Cb 0.44 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2h3z h GLU 74 CO 0.03 0.88 -0.90 1.25 -1.00 0.00 0.00 179.01 179.27 2h3z h LEU 75 N 1.35 0.16 0.34 1.33 6.46 -1.78 -3.11 115.31 120.07 2h3z h LEU 75 Ca 0.36 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.97 2h3z h LEU 75 Cb -0.14 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 39.75 2h3z h LEU 75 CO -0.08 0.98 -0.16 -0.09 -0.62 0.00 0.00 178.44 178.47 2h3z h ARG 76 N 0.06 -0.44 -0.87 1.25 1.12 -0.85 -2.41 114.38 112.23 2h3z h ARG 76 Ca -0.04 0.03 0.06 0.00 -1.11 0.00 0.00 59.98 58.92 2h3z h ARG 76 Cb 1.56 0.10 -0.06 0.00 -0.01 0.00 0.00 29.97 31.56 2h3z h ARG 76 CO 0.13 -0.23 0.55 0.77 -3.11 0.00 0.00 179.97 178.07 2h3z h SER 77 N -0.55 0.87 0.34 -3.80 0.02 -1.44 -2.78 113.55 106.21 2h3z h SER 77 Ca -0.05 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2h3z h SER 77 Cb 0.41 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2h3z h SER 77 CO 0.08 0.57 -0.46 -0.07 -1.14 0.00 0.00 176.83 175.81 2h3z h LEU 78 N 1.01 -1.29 -0.98 5.07 -0.00 -1.45 -1.69 115.31 115.98 2h3z h LEU 78 Ca 0.37 0.12 0.25 0.00 -0.00 0.00 0.00 57.88 58.63 2h3z h LEU 78 Cb 0.14 0.45 -0.13 0.00 -0.00 0.00 0.00 40.66 41.12 2h3z h LEU 78 CO -0.16 -0.58 0.55 0.22 -0.00 0.00 0.00 178.44 178.47 2h3z h TYR 79 N -0.84 0.94 0.67 1.13 3.20 -1.19 0.21 116.97 121.09 2h3z h TYR 79 Ca -0.03 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 2h3z h TYR 79 Cb 0.78 -0.26 0.01 0.00 1.54 0.00 0.00 36.73 38.80 2h3z h TYR 79 CO -0.29 0.00 -0.32 -0.91 -1.64 0.00 0.00 178.16 175.00 2h3z h ASN 80 N 0.51 -0.77 0.05 -2.11 4.21 -1.10 -0.04 115.58 116.33 2h3z h ASN 80 Ca 0.65 0.03 0.02 0.00 1.21 0.00 0.00 56.30 58.21 2h3z h ASN 80 Cb 1.27 0.20 -0.04 0.00 -1.12 0.00 0.00 38.32 38.63 2h3z h ASN 80 CO -0.51 -0.54 -0.24 0.74 -1.29 0.00 0.00 177.43 175.59 2h3z h THR 81 N -0.93 0.45 -0.82 2.81 2.02 -0.59 -2.11 112.91 113.74 2h3z h THR 81 Ca -0.09 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.25 2h3z h THR 81 Cb 0.69 0.45 -0.10 0.00 -1.74 0.00 0.00 68.15 67.45 2h3z h THR 81 CO 0.15 0.00 0.37 0.40 0.37 0.00 0.00 175.52 176.81 2h3z h ILE 82 N -0.41 0.63 -0.61 3.11 2.04 -0.65 0.90 117.51 122.52 2h3z h ILE 82 Ca 0.05 -0.17 0.11 0.00 1.00 0.00 0.00 64.86 65.85 2h3z h ILE 82 Cb 0.47 0.10 -0.08 0.00 -0.74 0.00 0.00 36.82 36.56 2h3z h ILE 82 CO -0.18 0.09 0.17 0.00 0.00 0.00 0.00 178.15 178.23 2h3z h ALA 83 N 1.59 0.76 -0.00 1.87 0.00 -0.31 -1.07 119.26 122.10 2h3z h ALA 83 Ca 0.47 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.49 2h3z h ALA 83 Cb 0.74 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2h3z h ALA 83 CO -0.42 -0.27 -0.00 0.28 0.00 0.00 0.00 179.25 178.83 2h3z h VAL 84 N 0.32 1.50 -0.94 0.00 2.07 -0.86 -3.10 116.25 115.25 2h3z h VAL 84 Ca 0.32 -1.48 0.27 0.00 0.82 0.00 0.00 66.70 66.63 2h3z h VAL 84 Cb 0.46 2.51 -0.04 0.00 -1.52 0.00 0.00 31.29 32.70 2h3z h VAL 84 CO -0.37 0.39 0.75 0.25 0.02 0.00 0.00 177.57 178.60 2h3z h LEU 85 N -0.62 0.00 -0.04 2.57 5.85 -0.54 0.27 115.31 122.79 2h3z h LEU 85 Ca -0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 2h3z h LEU 85 Cb 0.63 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.68 2h3z h LEU 85 CO 0.00 0.00 -0.66 0.22 -0.34 0.00 0.00 178.44 177.66 2h3z h TYR 86 N 0.00 0.74 0.00 1.25 3.20 -1.16 -3.15 116.97 117.85 2h3z h TYR 86 Ca 0.44 -0.38 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 2h3z h TYR 86 Cb 1.94 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 40.11 2h3z h TYR 86 CO 0.00 1.19 -0.08 0.00 -1.64 0.00 0.00 178.16 177.62 2h3z h VAL 88 N 0.00 1.35 0.11 0.00 2.07 -1.23 0.39 116.25 118.94 2h3z h VAL 88 Ca -0.00 -2.07 -0.31 0.00 0.82 0.00 0.00 66.70 65.14 2h3z h VAL 88 Cb 0.39 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 2h3z h VAL 88 CO 0.01 0.63 -1.56 0.45 0.02 0.00 0.00 177.57 177.13 2h3z h HIS 89 N 0.35 0.44 -0.01 1.57 -0.00 -1.42 -3.30 115.15 112.79 2h3z h HIS 89 Ca -0.03 -0.32 0.00 0.00 -0.00 0.00 0.00 60.37 60.01 2h3z h HIS 89 Cb 1.32 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.71 2h3z h HIS 89 CO 0.05 1.39 -0.00 1.04 -0.00 0.00 0.00 177.93 180.41 2h3z n GLN 90 N -3.44 1.44 -3.48 2.45 1.13 -0.46 -4.92 117.38 110.09 2h3z n GLN 90 Ca -0.17 -0.65 -0.20 0.00 -1.94 0.00 0.00 57.00 54.04 2h3z n GLN 90 Cb 1.04 -1.49 0.08 0.00 0.11 0.00 0.00 30.24 29.99 2h3z n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2h3z n ARG 91 N -0.21 -7.15 -3.24 -1.09 3.00 -0.51 -4.96 116.66 102.49 2h3z n ARG 91 Ca 0.21 0.81 -0.42 0.00 -0.00 0.00 0.00 57.85 58.45 2h3z n ARG 91 Cb 0.27 -5.78 -0.08 0.00 0.00 0.00 0.00 32.46 26.88 2h3z n ARG 91 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2h3z s ILE 92 N -3.33 5.00 0.17 5.15 1.01 0.13 -5.02 121.20 124.31 2h3z s ILE 92 Ca 0.31 0.16 -0.34 0.00 0.00 0.00 0.00 60.65 60.79 2h3z s ILE 92 Cb -0.14 -4.01 -0.14 0.00 0.01 0.00 0.00 42.46 38.18 2h3z s ILE 92 CO 0.71 -0.31 1.46 0.47 0.00 0.00 0.00 174.94 177.27 2h3z n ASP 93 N 5.79 2.64 -3.66 3.58 9.92 -1.26 -4.72 116.55 128.83 2h3z n ASP 93 Ca -0.05 1.11 -0.14 0.00 -0.53 0.00 0.00 54.79 55.18 2h3z n ASP 93 Cb 0.48 -1.37 -0.14 0.00 -0.64 0.00 0.00 41.12 39.46 2h3z n ASP 93 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2h3z s VAL 94 N 0.50 -0.39 0.17 2.53 -7.23 -1.26 -4.84 120.40 109.87 2h3z s VAL 94 Ca 0.76 0.29 0.29 0.00 -1.81 0.00 0.00 61.98 61.52 2h3z s VAL 94 Cb -0.73 -0.42 0.32 0.00 0.56 0.00 0.00 36.38 36.11 2h3z s VAL 94 CO 0.43 0.12 1.94 0.50 -0.31 0.00 0.00 175.10 177.79 2h3z h LYS 95 N 8.30 0.00 -1.93 4.82 1.63 -1.97 -3.45 116.57 123.96 2h3z h LYS 95 Ca -0.14 0.00 0.30 0.00 -0.85 0.00 0.00 60.65 59.96 2h3z h LYS 95 Cb 1.11 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.66 2h3z h LYS 95 CO 0.14 0.11 0.80 0.16 -3.45 0.00 0.00 179.45 177.20 2h3z s ASP 96 N -5.94 -0.03 0.41 4.20 1.47 -1.26 -4.49 116.67 111.03 2h3z s ASP 96 Ca 0.00 -0.26 0.28 0.00 1.18 0.00 0.00 52.55 53.76 2h3z s ASP 96 Cb 0.10 0.23 1.47 0.00 -0.34 0.00 0.00 42.92 44.37 2h3z s ASP 96 CO 0.58 -0.44 1.87 0.74 0.68 0.00 0.00 175.17 178.60 2h3z h THR 97 N 2.00 0.00 -0.01 2.11 2.02 -1.38 -1.98 112.91 115.67 2h3z h THR 97 Ca -0.26 -0.07 -0.23 0.00 0.77 0.00 0.00 66.41 66.61 2h3z h THR 97 Cb 1.20 0.75 0.02 0.00 -1.74 0.00 0.00 68.15 68.38 2h3z h THR 97 CO 0.31 0.00 -0.90 0.50 0.37 0.00 0.00 175.52 175.79 2h3z h LYS 98 N 0.00 0.62 0.07 6.66 1.63 -1.86 -3.14 116.57 120.55 2h3z h LYS 98 Ca 0.00 -0.66 -0.00 0.00 -0.85 0.00 0.00 60.65 59.13 2h3z h LYS 98 Cb 0.09 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2h3z h LYS 98 CO 0.00 1.26 -0.03 1.49 -3.45 0.00 0.00 179.45 178.72 2h3z h GLU 99 N 0.25 -0.09 -1.09 1.90 4.22 -1.75 -2.41 114.58 115.63 2h3z h GLU 99 Ca -0.11 0.01 0.43 0.00 0.08 0.00 0.00 59.36 59.76 2h3z h GLU 99 Cb 1.57 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 30.68 2h3z h GLU 99 CO 0.18 -0.06 0.62 0.00 -2.18 0.00 0.00 179.01 177.57 2h3z h ALA 100 N -1.95 2.31 0.95 2.92 0.00 -1.72 0.37 119.26 122.14 2h3z h ALA 100 Ca -0.01 0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2h3z h ALA 100 Cb 0.07 0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2h3z h ALA 100 CO 0.02 -1.06 -0.46 1.25 0.00 0.00 0.00 179.25 178.99 2h3z h LEU 101 N 0.02 -1.10 -1.99 0.00 7.12 -1.48 -0.54 115.31 117.35 2h3z h LEU 101 Ca 0.85 0.04 -0.02 0.00 0.13 0.00 0.00 57.88 58.88 2h3z h LEU 101 Cb 2.34 0.29 -0.00 0.00 -0.53 0.00 0.00 40.66 42.76 2h3z h LEU 101 CO -0.69 -0.78 -0.10 0.44 -0.13 0.00 0.00 178.44 177.18 2h3z h ASP 102 N -1.28 0.00 0.74 1.25 5.19 -0.28 0.17 116.42 122.21 2h3z h ASP 102 Ca -0.13 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.18 2h3z h ASP 102 Cb 0.99 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.48 2h3z h ASP 102 CO 0.21 0.10 -0.46 0.50 -3.12 0.00 0.00 179.24 176.47 2h3z h LYS 103 N 0.00 0.00 0.00 3.56 1.63 -0.08 0.11 116.57 121.79 2h3z h LYS 103 Ca -0.00 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.68 2h3z h LYS 103 Cb 0.23 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 2h3z h LYS 103 CO 0.01 0.46 -1.87 -0.89 -3.45 0.00 0.00 179.45 173.72 2h3z n ILE 104 N -3.65 0.61 -0.09 2.00 5.41 -0.24 -4.03 119.36 119.38 2h3z n ILE 104 Ca -0.01 -0.62 -0.17 0.00 1.00 0.00 0.00 62.75 62.95 2h3z n ILE 104 Cb 0.54 -0.28 -0.11 0.00 -0.71 0.00 0.00 39.64 39.08 2h3z n ILE 104 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2h3z h GLU 105 N 0.00 0.00 -0.77 0.38 4.81 -0.66 -3.36 114.58 114.99 2h3z h GLU 105 Ca -0.16 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.24 2h3z h GLU 105 Cb 1.40 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.73 2h3z h GLU 105 CO 0.02 0.88 0.52 1.49 -0.73 0.00 0.00 179.01 181.19 2h3z h GLU 106 N -1.00 0.30 -0.01 1.92 4.81 -1.00 0.36 114.58 119.96 2h3z h GLU 106 Ca -0.18 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2h3z h GLU 106 Cb 1.07 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 2h3z h GLU 106 CO -0.11 0.20 0.01 0.93 -0.73 0.00 0.00 179.01 179.31 2h3z h GLU 107 N 0.31 0.00 0.00 1.92 5.08 -1.70 -2.28 114.58 117.92 2h3z h GLU 107 Ca 0.38 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.64 2h3z h GLU 107 Cb 1.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 2h3z h GLU 107 CO -0.10 0.00 -1.98 1.04 -1.00 0.00 0.00 179.01 176.96 2h3z n GLN 108 N -4.38 0.74 0.04 2.33 6.02 0.74 -4.37 117.38 118.49 2h3z n GLN 108 Ca -0.03 -0.12 0.01 0.00 -0.01 0.00 0.00 57.00 56.84 2h3z n GLN 108 Cb 0.09 -1.46 0.33 0.00 1.02 0.00 0.00 30.24 30.23 2h3z n GLN 108 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 2h3z h ASN 109 N 0.00 0.41 -0.84 1.08 -0.73 0.07 -1.67 115.58 113.90 2h3z h ASN 109 Ca -0.15 -0.08 0.06 0.00 1.87 0.00 0.00 56.30 58.01 2h3z h ASN 109 Cb 1.25 -0.11 -0.06 0.00 0.27 0.00 0.00 38.32 39.67 2h3z h ASN 109 CO 0.01 0.50 0.52 0.11 -0.37 0.00 0.00 177.43 178.20 2h3z h LYS 110 N 0.42 0.92 0.00 6.67 1.79 -1.65 -1.31 116.57 123.41 2h3z h LYS 110 Ca 0.09 -0.06 -0.11 0.00 -2.18 0.00 0.00 60.65 58.39 2h3z h LYS 110 Cb 0.33 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 2h3z h LYS 110 CO 0.01 0.61 -0.60 0.77 -1.08 0.00 0.00 179.45 179.16 2h3z h SER 111 N 0.95 0.00 0.30 0.86 0.02 -1.72 -3.15 113.55 110.80 2h3z h SER 111 Ca 0.37 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.30 2h3z h SER 111 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2h3z h SER 111 CO -0.17 0.51 -0.14 0.11 -1.14 0.00 0.00 176.83 175.99 2h3z h LYS 112 N 0.00 -0.38 -0.07 3.45 1.57 -0.35 -2.57 116.57 118.22 2h3z h LYS 112 Ca -0.02 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2h3z h LYS 112 Cb 1.41 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.80 2h3z h LYS 112 CO 0.06 -0.26 0.17 -0.22 -0.57 0.00 0.00 179.45 178.64 2h3z h LYS 113 N -0.52 0.00 -0.90 3.15 3.64 -1.44 -0.38 116.57 120.11 2h3z h LYS 113 Ca -0.04 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.72 2h3z h LYS 113 Cb 0.31 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 31.80 2h3z h LYS 113 CO 0.07 0.00 0.36 1.63 -2.27 0.00 0.00 179.45 179.24 2h3z n LYS 114 N -3.29 2.89 0.00 1.90 5.02 -1.16 -4.25 118.16 119.27 2h3z n LYS 114 Ca -0.01 -3.52 0.00 0.00 -2.02 0.00 0.00 58.31 52.76 2h3z n LYS 114 Cb 0.26 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 2h3z n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2h3z n ALA 115 N -0.88 0.14 -0.35 7.82 0.00 -0.15 -4.85 120.51 122.24 2h3z n ALA 115 Ca 0.56 -0.01 0.24 0.00 0.00 0.00 0.00 53.44 54.24 2h3z n ALA 115 Cb 0.81 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.75 2h3z n ALA 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2h3z h GLN 116 N 0.00 0.36 -6.40 0.00 3.07 -1.74 -3.45 115.11 106.95 2h3z h GLN 116 Ca 0.00 -0.02 -0.49 0.00 0.09 0.00 0.00 58.65 58.23 2h3z h GLN 116 Cb 0.13 -0.08 -0.06 0.00 0.08 0.00 0.00 27.48 27.54 2h3z h GLN 116 CO 0.00 0.24 -0.82 1.04 0.09 0.00 0.00 178.83 179.38 2h3z n GLN 117 N -4.80 -4.36 0.00 0.06 6.02 -1.26 -4.40 117.38 108.64 2h3z n GLN 117 Ca 0.29 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.79 2h3z n GLN 117 Cb 0.96 -5.11 0.00 0.00 1.02 0.00 0.00 30.24 27.11 2h3z n GLN 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2h3z n ALA 118 N -4.47 0.00 0.28 -1.58 0.00 -1.26 -4.94 120.51 108.54 2h3z n ALA 118 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.37 2h3z n ALA 118 Cb 0.59 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.20 2h3z n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3z n ALA 119 N 0.00 1.39 -1.80 0.00 0.00 -1.26 -4.71 120.51 114.13 2h3z n ALA 119 Ca 0.00 -0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 2h3z n ALA 119 Cb 0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 2h3z n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3z s ALA 120 N -2.83 3.01 -0.92 0.00 0.00 -1.26 -3.52 121.76 116.24 2h3z s ALA 120 Ca 0.05 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2h3z s ALA 120 Cb 0.05 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2h3z s ALA 120 CO 0.12 -0.06 0.00 -0.25 0.00 0.00 0.00 175.76 175.57 2h3z n ASP 121 N -0.56 -3.85 -4.53 0.00 9.92 -1.26 -5.01 116.55 111.25 2h3z n ASP 121 Ca 0.07 0.16 -0.32 0.00 -0.53 0.00 0.00 54.79 54.17 2h3z n ASP 121 Cb 0.53 -2.41 -0.12 0.00 -0.64 0.00 0.00 41.12 38.48 2h3z n ASP 121 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2h3z s THR 122 N -2.37 3.33 -0.31 -3.53 -4.23 -1.23 -5.05 115.64 102.25 2h3z s THR 122 Ca 0.00 -0.79 -0.37 0.00 -1.18 0.00 0.00 61.69 59.35 2h3z s THR 122 Cb 0.00 -2.39 -0.13 0.00 1.34 0.00 0.00 72.50 71.32 2h3z s THR 122 CO 0.00 0.47 2.05 0.61 -0.54 0.00 0.00 174.62 177.21 2h3z n GLY 123 N 1.87 0.65 3.14 3.99 0.00 -1.26 -4.94 105.19 108.65 2h3z n GLY 123 Ca -0.16 0.94 -0.15 0.00 0.00 0.00 0.00 46.02 46.65 2h3z n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2h3z s ASN 124 N 6.04 1.32 0.26 1.61 -0.87 -1.26 -5.17 114.94 116.87 2h3z s ASN 124 Ca 1.06 -0.71 0.02 0.00 -1.57 0.00 0.00 52.86 51.66 2h3z s ASN 124 Cb -0.92 0.01 -0.04 0.00 -0.02 0.00 0.00 41.25 40.28 2h3z s ASN 124 CO 0.54 -0.22 0.17 0.54 -2.57 0.00 0.00 177.10 175.57 2h3z s ASN 125 N -2.08 0.88 0.00 -1.22 4.22 -1.26 -5.12 114.94 110.36 2h3z s ASN 125 Ca -0.00 -1.52 0.00 0.00 -2.14 0.00 0.00 52.86 49.20 2h3z s ASN 125 Cb -0.06 0.41 0.00 0.00 1.28 0.00 0.00 41.25 42.88 2h3z s ASN 125 CO 0.00 -0.90 0.00 -0.24 -2.04 0.00 0.00 177.10 173.92 2h3z n SER 126 N -0.74 0.00 -2.76 3.54 2.88 -1.26 -4.99 113.62 110.29 2h3z n SER 126 Ca 0.03 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.41 2h3z n SER 126 Cb 0.65 -0.04 -0.00 0.00 -0.75 0.00 0.00 64.21 64.07 2h3z n SER 126 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2h3z n GLN 127 N -1.83 -2.79 -3.96 -1.46 0.00 -1.26 -4.93 117.38 101.14 2h3z n GLN 127 Ca 0.00 0.59 -0.35 0.00 -0.00 0.00 0.00 57.00 57.23 2h3z n GLN 127 Cb 0.00 -5.24 -0.08 0.00 0.00 0.00 0.00 30.24 24.92 2h3z n GLN 127 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2h3z s VAL 128 N -2.75 5.09 1.31 1.69 1.01 -1.26 -5.10 120.40 120.39 2h3z s VAL 128 Ca 0.14 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.99 2h3z s VAL 128 Cb -0.07 -3.26 0.33 0.00 0.00 0.00 0.00 36.38 33.38 2h3z s VAL 128 CO 0.18 0.53 0.99 -0.44 0.00 0.00 0.00 175.10 176.36 2h3z s SER 129 N -0.25 -0.09 0.35 3.32 0.01 -1.26 -5.08 113.70 110.71 2h3z s SER 129 Ca 0.09 0.96 0.07 0.00 1.31 0.00 0.00 55.95 58.38 2h3z s SER 129 Cb -0.12 -1.40 -0.02 0.00 0.21 0.00 0.00 66.02 64.68 2h3z s SER 129 CO 0.01 -4.78 0.24 1.67 0.41 0.00 0.00 173.24 170.79 2h3z n GLN 130 N -5.25 0.45 -3.24 12.44 7.27 -1.26 -4.98 117.38 122.82 2h3z n GLN 130 Ca 0.10 -3.32 -0.16 0.00 0.07 0.00 0.00 57.00 53.70 2h3z n GLN 130 Cb 0.59 2.44 0.01 0.00 2.41 0.00 0.00 30.24 35.69 2h3z n GLN 130 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 2h3z n ASN 131 N -1.66 -6.79 -0.45 1.69 5.15 -1.26 -5.34 115.26 106.60 2h3z n ASN 131 Ca 0.04 -0.08 0.06 0.00 -0.60 0.00 0.00 54.58 53.99 2h3z n ASN 131 Cb 0.60 -3.86 0.05 0.00 -0.53 0.00 0.00 39.78 36.04 2h3z n ASN 131 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66