#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dld s ILE 2 N 0.00 3.84 0.21 1.12 1.01 -1.26 -4.61 121.20 121.51 3dld s ILE 2 Ca 0.00 1.18 -0.07 0.00 0.00 0.00 0.00 60.65 61.76 3dld s ILE 2 Cb 0.00 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 3dld s ILE 2 CO 0.00 -0.02 0.49 -0.13 0.00 0.00 0.00 174.94 175.28 3dld s ARG 3 N 2.67 3.71 0.16 2.79 1.81 -1.26 -5.02 118.95 123.81 3dld s ARG 3 Ca 0.63 0.10 -0.31 0.00 -1.72 0.00 0.00 55.73 54.42 3dld s ARG 3 Cb -0.29 -2.71 -0.10 0.00 -0.45 0.00 0.00 34.95 31.40 3dld s ARG 3 CO 0.25 0.34 1.51 -0.51 -0.68 0.00 0.00 175.30 176.21 3dld s ASP 4 N -2.55 6.65 -0.24 0.23 1.01 -1.26 -4.93 116.67 115.58 3dld s ASP 4 Ca 0.45 2.55 -0.25 0.00 0.71 0.00 0.00 52.55 56.01 3dld s ASP 4 Cb -0.11 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.22 3dld s ASP 4 CO 0.24 -0.77 0.84 -0.63 0.21 0.00 0.00 175.17 175.06 3dld s ILE 5 N 1.01 4.82 0.34 0.77 1.01 -1.26 -4.40 121.20 123.50 3dld s ILE 5 Ca 0.68 1.58 -0.25 0.00 0.00 0.00 0.00 60.65 62.65 3dld s ILE 5 Cb -0.42 -4.13 -0.10 0.00 0.01 0.00 0.00 42.46 37.82 3dld s ILE 5 CO 0.32 -0.09 0.95 0.27 0.00 0.00 0.00 174.94 176.39 3dld s ILE 6 N 2.87 4.23 0.22 2.92 -4.36 0.15 -4.94 121.20 122.28 3dld s ILE 6 Ca 0.35 1.76 0.02 0.00 -0.26 0.00 0.00 60.65 62.52 3dld s ILE 6 Cb -0.15 -3.94 -0.04 0.00 1.25 0.00 0.00 42.46 39.58 3dld s ILE 6 CO 0.07 0.07 0.38 -0.13 0.24 0.00 0.00 174.94 175.56 3dld s ARG 7 N -2.24 3.47 0.19 0.37 0.52 -1.26 -4.38 118.95 115.61 3dld s ARG 7 Ca 0.52 -0.53 -0.33 0.00 -0.52 0.00 0.00 55.73 54.88 3dld s ARG 7 Cb -0.17 -2.86 -0.14 0.00 0.52 0.00 0.00 34.95 32.29 3dld s ARG 7 CO 0.22 0.41 1.39 -0.12 0.02 0.00 0.00 175.30 177.22 3dld n MET 8 N -0.99 1.78 0.00 3.54 0.00 0.15 -1.48 117.12 120.13 3dld n MET 8 Ca -0.07 0.64 0.00 0.00 -0.00 0.00 0.00 57.70 58.27 3dld n MET 8 Cb 0.55 -2.29 0.00 0.00 0.00 0.00 0.00 33.22 31.48 3dld n MET 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3dld n GLY 9 N 2.45 2.28 3.67 -5.12 0.00 -1.26 -5.03 105.19 102.18 3dld n GLY 9 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3dld n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dld s ASP 10 N -1.31 7.07 0.57 1.61 -1.08 -0.55 -4.88 116.67 118.11 3dld s ASP 10 Ca 0.00 1.60 0.29 0.00 -0.52 0.00 0.00 52.55 53.92 3dld s ASP 10 Cb 0.00 -2.55 1.48 0.00 -1.46 0.00 0.00 42.92 40.39 3dld s ASP 10 CO 0.00 -0.63 1.92 0.11 0.52 0.00 0.00 175.17 177.09 3dld h LYS 11 N 7.60 0.00 0.00 4.34 1.57 -1.98 -1.90 116.57 126.19 3dld h LYS 11 Ca -0.27 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 3dld h LYS 11 Cb 1.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 3dld h LYS 11 CO 0.93 0.00 -0.13 0.00 -0.57 0.00 0.00 179.45 179.68 3dld h ARG 12 N 0.00 0.00 0.00 3.15 3.08 -1.94 0.17 114.38 118.84 3dld h ARG 12 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3dld h ARG 12 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3dld h ARG 12 CO -0.00 0.13 0.00 1.28 -1.07 0.00 0.00 179.97 180.31 3dld n LEU 13 N -3.65 0.00 -0.78 3.04 4.77 -0.71 -3.68 117.00 115.98 3dld n LEU 13 Ca -0.02 0.43 0.11 0.00 -0.03 0.00 0.00 56.01 56.51 3dld n LEU 13 Cb 0.25 -0.43 0.30 0.00 -2.33 0.00 0.00 43.42 41.21 3dld n LEU 13 CO 0.31 -0.06 0.74 0.18 -1.33 0.00 0.00 177.39 177.23 3dld n LEU 14 N -1.43 2.34 -4.87 2.23 4.77 0.61 -4.20 117.00 116.45 3dld n LEU 14 Ca 0.08 -0.99 -0.31 0.00 -0.03 0.00 0.00 56.01 54.76 3dld n LEU 14 Cb 0.27 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 3dld n LEU 14 CO 0.22 0.49 0.30 -0.13 -1.33 0.00 0.00 177.39 176.95 3dld s ARG 15 N -1.69 3.81 -0.45 3.23 0.52 -1.24 -4.56 118.95 118.57 3dld s ARG 15 Ca 0.34 0.35 -0.21 0.00 -0.52 0.00 0.00 55.73 55.69 3dld s ARG 15 Cb 0.19 -2.55 0.03 0.00 0.52 0.00 0.00 34.95 33.14 3dld s ARG 15 CO 0.28 0.19 0.67 0.54 0.02 0.00 0.00 175.30 177.00 3dld s VAL 16 N -2.02 4.80 0.28 3.52 0.11 -1.26 -2.05 120.40 123.78 3dld s VAL 16 Ca 0.49 0.12 -0.29 0.00 -2.93 0.00 0.00 61.98 59.36 3dld s VAL 16 Cb -0.11 -4.23 -0.10 0.00 -1.53 0.00 0.00 36.38 30.41 3dld s VAL 16 CO 0.24 -0.64 1.19 0.00 -3.33 0.00 0.00 175.10 172.56 3dld s ALA 17 N 2.89 3.45 0.78 1.54 0.00 -0.80 -5.02 121.76 124.60 3dld s ALA 17 Ca 0.23 1.03 -0.12 0.00 0.00 0.00 0.00 51.96 53.10 3dld s ALA 17 Cb -0.14 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.65 3dld s ALA 17 CO 0.19 -0.35 1.10 -1.25 0.00 0.00 0.00 175.76 175.45 3dld s PRO 18 N -1.34 2.21 0.77 0.00 0.04 -1.26 -4.62 135.00 130.80 3dld s PRO 18 Ca 0.47 0.56 -0.14 0.00 0.04 0.00 0.00 61.00 61.94 3dld s PRO 18 Cb -0.35 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.32 3dld s PRO 18 CO 0.44 -1.51 1.21 -0.65 0.04 0.00 0.00 177.00 176.52 3dld s GLN 19 N -5.22 1.87 -0.07 4.56 -0.21 -1.26 -2.05 119.66 117.27 3dld s GLN 19 Ca 0.60 1.76 -0.30 0.00 0.02 0.00 0.00 55.36 57.44 3dld s GLN 19 Cb -0.13 -1.80 -0.02 0.00 1.00 0.00 0.00 33.01 32.05 3dld s GLN 19 CO 0.53 -2.04 1.04 0.08 -2.12 0.00 0.00 175.29 172.78 3dld s VAL 20 N -2.08 4.69 -0.06 1.09 1.01 -1.26 -4.69 120.40 119.10 3dld s VAL 20 Ca 0.74 1.96 0.09 0.00 0.00 0.00 0.00 61.98 64.76 3dld s VAL 20 Cb -0.29 -4.26 0.14 0.00 0.00 0.00 0.00 36.38 31.98 3dld s VAL 20 CO 0.48 0.04 1.06 0.35 0.00 0.00 0.00 175.10 177.04 3dld n THR 21 N 4.38 1.39 -2.17 3.92 -2.24 -1.26 -4.73 114.28 113.57 3dld n THR 21 Ca 0.08 -1.57 -0.19 0.00 -2.27 0.00 0.00 64.05 60.10 3dld n THR 21 Cb 0.49 0.15 0.03 0.00 -2.10 0.00 0.00 70.33 68.90 3dld n THR 21 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3dld n ASN 22 N -0.93 4.23 -4.39 3.42 2.04 -1.26 -5.08 115.26 113.30 3dld n ASN 22 Ca 0.08 -3.43 -0.41 0.00 -0.44 0.00 0.00 54.58 50.38 3dld n ASN 22 Cb 0.45 -0.37 0.01 0.00 -2.53 0.00 0.00 39.78 37.34 3dld n ASN 22 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3dld n LEU 23 N -0.69 -1.17 0.00 -4.53 4.77 -1.26 -1.51 117.00 112.61 3dld n LEU 23 Ca 0.37 0.85 0.00 0.00 -0.03 0.00 0.00 56.01 57.19 3dld n LEU 23 Cb 0.93 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3dld n LEU 23 CO 0.33 -3.47 0.00 0.61 -1.33 0.00 0.00 177.39 173.53 3dld n GLY 24 N 2.02 1.23 3.83 -0.72 0.00 0.28 -4.85 105.19 106.98 3dld n GLY 24 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3dld n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dld s SER 25 N -2.88 6.64 0.20 1.61 1.04 -0.57 -4.96 113.70 114.78 3dld s SER 25 Ca 0.00 1.61 -0.06 0.00 0.48 0.00 0.00 55.95 57.98 3dld s SER 25 Cb 0.00 -2.52 0.15 0.00 0.10 0.00 0.00 66.02 63.75 3dld s SER 25 CO 0.00 -0.58 1.65 0.00 0.98 0.00 0.00 173.24 175.29 3dld h ALA 26 N 1.10 0.88 -0.53 5.32 0.00 -1.93 -2.15 119.26 121.95 3dld h ALA 26 Ca -0.47 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.17 3dld h ALA 26 Cb 1.19 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 3dld h ALA 26 CO 0.61 0.64 0.21 0.93 0.00 0.00 0.00 179.25 181.64 3dld h GLU 27 N 0.83 0.39 -0.25 0.00 3.07 -1.93 -0.42 114.58 116.27 3dld h GLU 27 Ca 0.13 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.91 3dld h GLU 27 Cb 0.63 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 3dld h GLU 27 CO 0.04 0.26 -0.09 1.25 -1.40 0.00 0.00 179.01 179.07 3dld h LEU 28 N 0.40 0.51 -0.96 1.33 5.85 -1.75 -1.70 115.31 118.99 3dld h LEU 28 Ca 0.25 -0.39 0.08 0.00 0.84 0.00 0.00 57.88 58.66 3dld h LEU 28 Cb 0.26 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 3dld h LEU 28 CO -0.24 0.78 0.61 0.45 -0.34 0.00 0.00 178.44 179.70 3dld h HIS 29 N 0.23 1.12 -0.12 1.25 3.86 -1.25 0.62 115.15 120.86 3dld h HIS 29 Ca 0.06 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3dld h HIS 29 Cb 0.58 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 3dld h HIS 29 CO 0.06 0.55 0.00 0.00 0.86 0.00 0.00 177.93 179.40 3dld h ALA 30 N 1.46 0.16 -0.64 2.45 0.00 -0.80 -1.70 119.26 120.19 3dld h ALA 30 Ca 0.43 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.26 3dld h ALA 30 Cb 0.24 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 3dld h ALA 30 CO -0.19 -0.15 0.25 1.25 0.00 0.00 0.00 179.25 180.40 3dld h LEU 31 N -0.06 0.25 -0.83 0.00 5.85 -0.89 -0.89 115.31 118.74 3dld h LEU 31 Ca 0.03 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 3dld h LEU 31 Cb 0.35 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3dld h LEU 31 CO 0.01 0.14 -0.29 -0.37 -0.34 0.00 0.00 178.44 177.58 3dld h VAL 32 N 0.43 1.28 -0.54 1.05 -1.51 -0.63 -1.66 116.25 114.67 3dld h VAL 32 Ca 0.32 -1.37 -0.01 0.00 -1.23 0.00 0.00 66.70 64.42 3dld h VAL 32 Cb 0.41 1.40 -0.03 0.00 -2.13 0.00 0.00 31.29 30.94 3dld h VAL 32 CO -0.32 0.44 0.31 -1.28 -1.23 0.00 0.00 177.57 175.49 3dld h SER 33 N 0.46 0.66 -0.22 4.19 0.87 -0.68 0.70 113.55 119.54 3dld h SER 33 Ca 0.06 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 3dld h SER 33 Cb 0.75 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 3dld h SER 33 CO 0.06 0.55 0.07 0.44 -0.53 0.00 0.00 176.83 177.41 3dld h ASP 34 N 0.73 0.38 -0.20 6.23 3.32 -0.90 -2.33 116.42 123.66 3dld h ASP 34 Ca 0.19 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 3dld h ASP 34 Cb 0.02 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3dld h ASP 34 CO -0.03 0.40 -0.03 0.24 -1.72 0.00 0.00 179.24 178.09 3dld h MET 35 N 0.42 0.37 -0.34 3.56 2.86 0.04 0.88 114.93 122.72 3dld h MET 35 Ca 0.10 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 3dld h MET 35 Cb 0.17 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3dld h MET 35 CO -0.00 0.61 -0.08 0.74 1.06 0.00 0.00 176.91 179.23 3dld h PHE 36 N 0.10 0.60 -0.11 -0.22 0.04 -1.11 0.80 116.94 117.04 3dld h PHE 36 Ca 0.05 -0.08 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 3dld h PHE 36 Cb 0.46 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 3dld h PHE 36 CO 0.05 0.63 -0.13 1.49 -0.60 0.00 0.00 178.31 179.74 3dld h GLU 37 N 0.52 0.29 -0.69 1.51 4.81 -1.23 -0.96 114.58 118.83 3dld h GLU 37 Ca 0.10 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3dld h GLU 37 Cb 0.46 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 3dld h GLU 37 CO 0.02 0.72 0.38 1.15 -0.73 0.00 0.00 179.01 180.55 3dld h THR 38 N -0.11 1.21 -0.61 0.32 2.02 -0.70 -1.07 112.91 113.97 3dld h THR 38 Ca 0.02 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.58 3dld h THR 38 Cb 0.67 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3dld h THR 38 CO 0.03 0.24 0.10 -0.03 0.37 0.00 0.00 175.52 176.22 3dld h MET 39 N 0.95 1.01 -0.42 6.66 1.85 -0.77 -2.68 114.93 121.53 3dld h MET 39 Ca 0.24 -0.27 -0.04 0.00 -0.61 0.00 0.00 59.70 59.02 3dld h MET 39 Cb 0.04 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 31.94 3dld h MET 39 CO -0.04 0.95 0.11 0.78 -0.40 0.00 0.00 176.91 178.31 3dld h GLY 40 N 0.92 0.71 1.40 1.39 0.00 -0.86 0.36 103.07 107.00 3dld h GLY 40 Ca 0.18 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 3dld h GLY 40 CO 0.01 0.41 0.03 0.00 0.00 0.00 0.00 176.54 176.99 3dld h ALA 41 N 0.96 1.19 -0.14 3.60 0.00 -1.09 -1.62 119.26 122.16 3dld h ALA 41 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dld h ALA 41 Cb 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dld h ALA 41 CO -0.00 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.78 3dld n ALA 42 N -2.47 2.53 -3.38 0.00 0.00 -1.02 -4.95 120.51 111.21 3dld n ALA 42 Ca 0.03 -0.50 -0.24 0.00 0.00 0.00 0.00 53.44 52.73 3dld n ALA 42 Cb 0.27 -1.11 0.05 0.00 0.00 0.00 0.00 19.45 18.66 3dld n ALA 42 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3dld n HIS 43 N 0.26 -2.32 -1.93 0.00 8.25 -0.42 -4.99 115.22 114.07 3dld n HIS 43 Ca 0.16 0.74 -0.30 0.00 -0.26 0.00 0.00 57.72 58.07 3dld n HIS 43 Cb 0.32 -4.46 0.03 0.00 1.12 0.00 0.00 29.99 27.01 3dld n HIS 43 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3dld s GLY 44 N -3.00 1.63 -0.02 -1.41 0.00 0.11 -4.69 107.32 99.94 3dld s GLY 44 Ca 0.47 -0.30 0.20 0.00 0.00 0.00 0.00 44.72 45.09 3dld s GLY 44 CO 0.58 0.03 0.53 3.33 0.00 0.00 0.00 173.10 177.56 3dld n VAL 45 N -2.89 0.00 -3.65 1.40 0.24 -1.26 -4.77 118.33 107.40 3dld n VAL 45 Ca 0.06 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.34 61.88 3dld n VAL 45 Cb 0.56 0.25 -0.05 0.00 -1.47 0.00 0.00 33.84 33.13 3dld n VAL 45 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3dld s GLY 46 N -3.98 -0.28 -0.18 7.63 0.00 -1.26 -0.96 107.32 108.29 3dld s GLY 46 Ca -0.04 0.14 -0.10 0.00 0.00 0.00 0.00 44.72 44.72 3dld s GLY 46 CO 0.83 -0.12 0.44 -2.27 0.00 0.00 0.00 173.10 171.98 3dld s LEU 47 N -2.38 -0.16 -0.02 0.66 2.96 0.15 -4.95 118.68 114.93 3dld s LEU 47 Ca -0.01 0.96 -0.03 0.00 -0.22 0.00 0.00 54.13 54.83 3dld s LEU 47 Cb 0.00 1.46 -0.04 0.00 0.50 0.00 0.00 46.19 48.12 3dld s LEU 47 CO -0.07 -0.20 0.15 0.00 -1.32 0.00 0.00 176.35 174.91 3dld s ALA 48 N 1.36 3.84 0.27 5.97 0.00 -1.26 -0.82 121.76 131.12 3dld s ALA 48 Ca -0.09 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3dld s ALA 48 Cb -0.08 -1.81 0.52 0.00 0.00 0.00 0.00 23.12 21.76 3dld s ALA 48 CO -0.13 0.72 1.83 0.00 0.00 0.00 0.00 175.76 178.17 3dld h ALA 49 N 4.04 1.44 -0.17 0.00 0.00 -1.09 -0.79 119.26 122.68 3dld h ALA 49 Ca -0.50 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.49 3dld h ALA 49 Cb 1.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3dld h ALA 49 CO 0.66 0.18 0.17 -1.35 0.00 0.00 0.00 179.25 178.91 3dld h PRO 50 N 0.93 0.00 0.00 0.00 0.11 -1.61 -1.30 132.00 130.13 3dld h PRO 50 Ca 0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.58 3dld h PRO 50 Cb 0.48 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 3dld h PRO 50 CO -0.27 0.00 -0.06 1.96 -0.21 0.00 0.00 178.00 179.42 3dld h GLN 51 N 0.00 0.00 -0.43 1.05 4.20 -1.43 0.21 115.11 118.70 3dld h GLN 51 Ca 0.08 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 3dld h GLN 51 Cb 0.42 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.16 3dld h GLN 51 CO -0.00 0.06 0.06 0.44 -0.67 0.00 0.00 178.83 178.71 3dld n ILE 52 N -3.34 2.55 -2.16 2.54 -5.35 -0.60 0.30 119.36 113.30 3dld n ILE 52 Ca -0.01 -1.89 -0.13 0.00 -0.27 0.00 0.00 62.75 60.45 3dld n ILE 52 Cb 0.22 -0.29 -0.01 0.00 -1.74 0.00 0.00 39.64 37.81 3dld n ILE 52 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dld n ALA 53 N -0.37 -0.36 -3.62 -1.28 0.00 0.73 -4.93 120.51 110.69 3dld n ALA 53 Ca 0.29 0.11 -0.35 0.00 0.00 0.00 0.00 53.44 53.49 3dld n ALA 53 Cb 1.08 -1.53 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 3dld n ALA 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dld s VAL 54 N -2.62 3.10 -1.33 0.00 0.11 -0.59 -4.98 120.40 114.09 3dld s VAL 54 Ca 0.00 -0.74 -0.16 0.00 -2.93 0.00 0.00 61.98 58.15 3dld s VAL 54 Cb 0.00 -2.47 0.08 0.00 -1.53 0.00 0.00 36.38 32.46 3dld s VAL 54 CO 0.00 0.33 1.84 -0.67 -3.33 0.00 0.00 175.10 173.27 3dld n ASP 55 N 4.74 4.71 -3.95 3.54 2.03 -1.26 -2.03 116.55 124.33 3dld n ASP 55 Ca -0.18 -2.92 -0.09 0.00 0.52 0.00 0.00 54.79 52.12 3dld n ASP 55 Cb 0.49 -1.68 -0.10 0.00 -0.72 0.00 0.00 41.12 39.11 3dld n ASP 55 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3dld s LEU 56 N 2.95 1.97 -1.33 -2.67 1.43 -1.26 -4.24 118.68 115.53 3dld s LEU 56 Ca 0.49 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.94 3dld s LEU 56 Cb 0.06 0.40 0.03 0.00 0.03 0.00 0.00 46.19 46.70 3dld s LEU 56 CO 0.02 -0.41 2.03 0.00 0.23 0.00 0.00 176.35 178.22 3dld n GLN 57 N 1.16 2.78 -3.84 1.70 6.02 -0.87 -4.39 117.38 119.94 3dld n GLN 57 Ca -0.21 -2.75 -0.12 0.00 -0.01 0.00 0.00 57.00 53.91 3dld n GLN 57 Cb 0.57 -3.35 -0.12 0.00 1.02 0.00 0.00 30.24 28.37 3dld n GLN 57 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3dld s LEU 58 N 3.21 1.49 -0.01 1.08 2.96 -1.26 -0.99 118.68 125.17 3dld s LEU 58 Ca 0.51 0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 54.41 3dld s LEU 58 Cb 0.10 0.56 0.01 0.00 0.50 0.00 0.00 46.19 47.36 3dld s LEU 58 CO -0.00 -0.17 0.24 0.00 -1.32 0.00 0.00 176.35 175.10 3dld s MET 59 N -0.46 0.59 0.17 1.98 0.23 -0.79 -0.64 119.30 120.38 3dld s MET 59 Ca -0.05 -0.27 0.11 0.00 -1.03 0.00 0.00 55.69 54.45 3dld s MET 59 Cb -0.04 0.26 -0.04 0.00 -1.53 0.00 0.00 34.83 33.48 3dld s MET 59 CO 0.01 -0.16 -0.25 0.14 -2.03 0.00 0.00 175.02 172.73 3dld s VAL 60 N -1.33 2.30 0.26 5.16 -7.23 -0.00 -1.39 120.40 118.16 3dld s VAL 60 Ca -0.14 -1.94 -0.21 0.00 -1.81 0.00 0.00 61.98 57.88 3dld s VAL 60 Cb -0.06 -2.07 0.05 0.00 0.56 0.00 0.00 36.38 34.86 3dld s VAL 60 CO 0.03 -0.05 0.86 0.72 -0.31 0.00 0.00 175.10 176.35 3dld s PHE 61 N -1.48 -0.05 0.00 2.82 -0.71 -0.20 0.31 117.98 118.68 3dld s PHE 61 Ca 0.18 -0.42 0.00 0.00 -1.04 0.00 0.00 56.93 55.66 3dld s PHE 61 Cb -0.09 0.72 0.00 0.00 -1.21 0.00 0.00 43.02 42.45 3dld s PHE 61 CO 0.08 -1.16 0.00 0.41 -1.34 0.00 0.00 175.22 173.22 3dld n GLY 62 N -0.52 3.02 0.00 1.99 0.00 -0.13 -0.48 105.19 109.06 3dld n GLY 62 Ca -0.06 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3dld n GLY 62 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3dld n PHE 63 N -0.67 0.00 -0.05 1.61 1.16 0.87 -4.79 117.46 115.59 3dld n PHE 63 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.55 3dld n PHE 63 Cb 0.00 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 37.86 3dld n PHE 63 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 3dld h GLU 64 N 0.00 0.00 -5.13 3.97 4.81 -1.95 -1.38 114.58 114.90 3dld h GLU 64 Ca 0.00 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.57 3dld h GLU 64 Cb 0.00 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 29.08 3dld h GLU 64 CO 0.00 0.00 -0.79 0.00 -0.73 0.00 0.00 179.01 177.49 3dld s ALA 65 N -2.78 2.55 -0.19 2.92 0.00 -1.26 -4.11 121.76 118.89 3dld s ALA 65 Ca -0.08 -1.09 -0.12 0.00 0.00 0.00 0.00 51.96 50.66 3dld s ALA 65 Cb 0.01 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 3dld s ALA 65 CO 0.12 -0.16 0.24 0.45 0.00 0.00 0.00 175.76 176.41 3dld s SER 66 N 1.02 6.33 0.26 0.00 0.15 -1.26 -4.95 113.70 115.24 3dld s SER 66 Ca -0.01 0.37 0.05 0.00 0.70 0.00 0.00 55.95 57.06 3dld s SER 66 Cb -0.15 -2.15 0.32 0.00 -1.71 0.00 0.00 66.02 62.34 3dld s SER 66 CO -0.03 0.10 1.61 -0.08 1.20 0.00 0.00 173.24 176.05 3dld h GLU 67 N 6.84 0.26 0.00 5.44 4.81 -1.88 -3.32 114.58 126.74 3dld h GLU 67 Ca -0.40 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 58.52 3dld h GLU 67 Cb 1.16 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 3dld h GLU 67 CO 0.74 0.72 -0.72 -0.09 -0.73 0.00 0.00 179.01 178.93 3dld h ARG 68 N 0.20 0.00 0.12 1.92 2.43 -1.93 -3.38 114.38 113.75 3dld h ARG 68 Ca 0.01 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.87 3dld h ARG 68 Cb 0.99 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 3dld h ARG 68 CO 0.08 0.72 -1.55 1.88 -1.51 0.00 0.00 179.97 179.59 3dld h TYR 69 N 0.00 0.44 0.34 2.20 -1.99 -1.96 -3.49 116.97 112.52 3dld h TYR 69 Ca -0.01 -0.32 -0.02 0.00 2.00 0.00 0.00 58.73 60.38 3dld h TYR 69 Cb 1.52 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.24 3dld h TYR 69 CO 0.00 1.39 -0.16 -1.35 -0.00 0.00 0.00 178.16 178.03 3dld h PRO 70 N 0.07 -0.44 -0.54 4.88 0.11 -1.74 -3.41 132.00 130.91 3dld h PRO 70 Ca -0.25 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3dld h PRO 70 Cb 2.02 0.10 0.00 0.00 0.11 0.00 0.00 31.00 33.23 3dld h PRO 70 CO 0.16 -0.29 0.00 -0.85 -0.21 0.00 0.00 178.00 176.80 3dld n GLU 71 N -3.26 0.00 -2.14 1.05 -0.00 -1.26 -4.27 120.64 110.77 3dld n GLU 71 Ca -0.06 0.00 -0.37 0.00 -0.00 0.00 0.00 57.16 56.73 3dld n GLU 71 Cb 0.18 -0.63 0.00 0.00 -0.00 0.00 0.00 31.44 31.00 3dld n GLU 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dld s ALA 72 N -0.01 2.92 0.75 -1.84 0.00 -1.26 -5.04 121.76 117.28 3dld s ALA 72 Ca 0.00 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 3dld s ALA 72 Cb 0.00 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.74 3dld s ALA 72 CO 0.00 -0.84 1.09 -1.25 0.00 0.00 0.00 175.76 174.76 3dld s PRO 73 N -2.77 2.38 0.31 0.00 0.04 -1.26 -4.84 135.00 128.86 3dld s PRO 73 Ca 0.66 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 3dld s PRO 73 Cb -0.31 -1.91 -0.12 0.00 0.04 0.00 0.00 34.50 32.20 3dld s PRO 73 CO 0.38 -1.55 1.48 0.00 0.04 0.00 0.00 177.00 177.34 3dld n ALA 74 N -3.36 2.02 -2.93 8.56 0.00 -1.26 -4.94 120.51 118.60 3dld n ALA 74 Ca 0.09 0.37 -0.32 0.00 0.00 0.00 0.00 53.44 53.58 3dld n ALA 74 Cb 0.53 -2.38 -0.16 0.00 0.00 0.00 0.00 19.45 17.44 3dld n ALA 74 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dld s VAL 75 N -0.50 2.45 0.49 0.00 1.01 -0.52 -4.98 120.40 118.35 3dld s VAL 75 Ca 0.60 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 61.46 3dld s VAL 75 Cb -0.53 -1.95 -0.06 0.00 0.00 0.00 0.00 36.38 33.83 3dld s VAL 75 CO 0.55 0.56 1.22 -2.84 0.00 0.00 0.00 175.10 174.59 3dld s PRO 76 N 0.05 3.52 -0.07 2.72 0.02 -1.26 -0.09 135.00 139.88 3dld s PRO 76 Ca -0.08 1.90 -0.29 0.00 0.02 0.00 0.00 61.00 62.55 3dld s PRO 76 Cb -0.15 -2.32 -0.06 0.00 0.02 0.00 0.00 34.50 31.99 3dld s PRO 76 CO 0.05 -0.78 1.82 -0.51 -0.33 0.00 0.00 177.00 177.25 3dld s LEU 77 N -3.25 4.18 -0.03 -5.54 1.43 -1.26 -4.07 118.68 110.14 3dld s LEU 77 Ca 0.67 2.24 0.01 0.00 -1.03 0.00 0.00 54.13 56.01 3dld s LEU 77 Cb -0.32 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.39 3dld s LEU 77 CO 0.38 -1.15 -0.02 -0.89 0.23 0.00 0.00 176.35 174.89 3dld s THR 78 N 4.90 0.32 -0.15 5.49 2.01 0.37 -4.99 115.64 123.59 3dld s THR 78 Ca 0.81 -0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.76 3dld s THR 78 Cb -0.35 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.78 3dld s THR 78 CO 0.34 0.16 -0.09 0.00 -0.69 0.00 0.00 174.62 174.34 3dld s ALA 79 N 0.75 2.75 -0.07 7.40 0.00 -1.26 -1.03 121.76 130.29 3dld s ALA 79 Ca -0.08 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 3dld s ALA 79 Cb -0.12 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.65 3dld s ALA 79 CO -0.01 0.12 -0.00 -1.17 0.00 0.00 0.00 175.76 174.70 3dld s LEU 80 N 0.55 0.66 0.15 0.00 2.96 -0.49 -4.34 118.68 118.16 3dld s LEU 80 Ca -0.06 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3dld s LEU 80 Cb -0.15 -0.42 -0.04 0.00 0.50 0.00 0.00 46.19 46.07 3dld s LEU 80 CO 0.03 -0.18 0.31 0.00 -1.32 0.00 0.00 176.35 175.19 3dld s ALA 81 N 1.86 3.92 -1.60 5.97 0.00 0.11 -1.89 121.76 130.13 3dld s ALA 81 Ca 0.03 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 3dld s ALA 81 Cb -0.12 -1.88 0.10 0.00 0.00 0.00 0.00 23.12 21.22 3dld s ALA 81 CO -0.05 0.57 0.69 0.09 0.00 0.00 0.00 175.76 177.06 3dld n ASN 82 N -0.39 -2.52 -4.63 0.00 3.02 -0.16 -0.59 115.26 109.99 3dld n ASN 82 Ca -0.06 -0.99 -0.48 0.00 -0.03 0.00 0.00 54.58 53.03 3dld n ASN 82 Cb 0.53 -2.95 -0.04 0.00 -0.61 0.00 0.00 39.78 36.71 3dld n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dld n ALA 83 N -4.43 0.16 -2.99 5.41 0.00 -1.25 -4.37 120.51 113.04 3dld n ALA 83 Ca -0.05 0.46 -0.12 0.00 0.00 0.00 0.00 53.44 53.73 3dld n ALA 83 Cb 0.56 -2.18 -0.14 0.00 0.00 0.00 0.00 19.45 17.69 3dld n ALA 83 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3dld s GLN 84 N 0.09 -0.00 -0.01 0.00 -2.07 0.31 -4.98 119.66 113.00 3dld s GLN 84 Ca 0.76 0.03 0.07 0.00 -1.82 0.00 0.00 55.36 54.39 3dld s GLN 84 Cb -0.78 -0.03 -0.02 0.00 -1.09 0.00 0.00 33.01 31.09 3dld s GLN 84 CO 0.47 -0.02 -0.23 0.42 -1.32 0.00 0.00 175.29 174.61 3dld s ILE 85 N 0.14 1.81 -0.02 3.63 1.01 -1.26 -1.24 121.20 125.26 3dld s ILE 85 Ca -0.01 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.62 3dld s ILE 85 Cb -0.02 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.95 3dld s ILE 85 CO -0.00 0.47 -0.03 -0.70 0.00 0.00 0.00 174.94 174.67 3dld s GLU 86 N -0.65 0.45 0.38 2.79 2.12 -0.50 -5.02 118.70 118.28 3dld s GLU 86 Ca 0.09 -0.10 -0.21 0.00 0.36 0.00 0.00 54.97 55.11 3dld s GLU 86 Cb -0.09 -0.49 -0.10 0.00 0.26 0.00 0.00 34.13 33.71 3dld s GLU 86 CO -0.00 0.01 0.91 -1.25 -0.54 0.00 0.00 175.26 174.38 3dld s PRO 87 N 0.37 4.27 0.00 4.30 0.04 -1.26 -0.36 135.00 142.37 3dld s PRO 87 Ca -0.04 1.09 0.19 0.00 0.04 0.00 0.00 61.00 62.27 3dld s PRO 87 Cb -0.07 -2.38 0.21 0.00 0.04 0.00 0.00 34.50 32.30 3dld s PRO 87 CO -0.00 0.08 1.16 1.28 0.04 0.00 0.00 177.00 179.55 3dld n LEU 88 N -0.28 2.74 -3.82 -3.56 4.77 0.16 -4.82 117.00 112.20 3dld n LEU 88 Ca 0.05 -1.18 -0.06 0.00 -0.03 0.00 0.00 56.01 54.80 3dld n LEU 88 Cb 0.53 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.54 3dld n LEU 88 CO 0.39 0.52 0.58 -0.55 -1.33 0.00 0.00 177.39 177.01 3dld s SER 89 N -1.47 -0.19 0.16 -1.43 0.15 -1.25 -5.02 113.70 104.64 3dld s SER 89 Ca 0.25 -0.59 0.21 0.00 0.70 0.00 0.00 55.95 56.53 3dld s SER 89 Cb 0.17 0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 65.07 3dld s SER 89 CO 0.24 -1.20 0.95 0.47 1.20 0.00 0.00 173.24 174.90 3dld n ASP 90 N -0.58 0.79 -4.63 5.45 8.00 -1.26 -4.84 116.55 119.48 3dld n ASP 90 Ca -0.05 0.31 -0.56 0.00 0.71 0.00 0.00 54.79 55.20 3dld n ASP 90 Cb 0.60 0.50 -0.07 0.00 -0.02 0.00 0.00 41.12 42.13 3dld n ASP 90 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3dld n GLU 91 N -2.69 0.89 -4.16 -1.24 2.13 -1.26 -4.90 120.64 109.40 3dld n GLU 91 Ca -0.02 0.32 -0.27 0.00 0.66 0.00 0.00 57.16 57.85 3dld n GLU 91 Cb 0.61 -1.94 -0.07 0.00 0.27 0.00 0.00 31.44 30.31 3dld n GLU 91 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 3dld s MET 92 N 1.57 2.57 -0.07 5.31 -1.94 -1.26 -1.49 119.30 123.99 3dld s MET 92 Ca 0.91 -1.01 -0.06 0.00 -1.71 0.00 0.00 55.69 53.82 3dld s MET 92 Cb -1.08 -2.46 0.02 0.00 2.01 0.00 0.00 34.83 33.32 3dld s MET 92 CO 0.57 0.47 0.18 -2.00 -0.01 0.00 0.00 175.02 174.23 3dld s GLU 93 N -2.94 0.20 0.04 2.03 2.12 0.63 -4.77 118.70 116.01 3dld s GLU 93 Ca 0.28 0.27 -0.21 0.00 0.36 0.00 0.00 54.97 55.67 3dld s GLU 93 Cb -0.10 0.07 -0.06 0.00 0.26 0.00 0.00 34.13 34.30 3dld s GLU 93 CO 0.20 -0.04 0.63 -0.80 -0.54 0.00 0.00 175.26 174.71 3dld s ASN 94 N 0.24 7.07 0.22 -1.70 0.01 -1.26 -1.61 114.94 117.91 3dld s ASN 94 Ca -0.01 1.28 -0.18 0.00 -0.71 0.00 0.00 52.86 53.23 3dld s ASN 94 Cb -0.03 -2.39 0.03 0.00 0.41 0.00 0.00 41.25 39.27 3dld s ASN 94 CO -0.01 0.14 0.56 -0.83 -1.51 0.00 0.00 177.10 175.45 3dld s GLY 95 N -0.46 -0.05 0.11 0.66 0.00 -0.98 -4.94 107.32 101.66 3dld s GLY 95 Ca 0.32 -0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.47 3dld s GLY 95 CO 0.19 -0.24 1.08 -0.98 0.00 0.00 0.00 173.10 173.16 3dld s TRP 96 N -3.89 3.60 0.12 1.90 0.52 -1.26 -0.82 118.94 119.11 3dld s TRP 96 Ca 0.11 1.58 0.08 0.00 0.02 0.00 0.00 56.10 57.89 3dld s TRP 96 Cb -0.02 -3.25 -0.04 0.00 -1.15 0.00 0.00 33.47 29.01 3dld s TRP 96 CO -0.00 -0.54 -0.21 -1.21 0.02 0.00 0.00 176.95 175.01 3dld s GLU 97 N 0.22 1.17 0.33 4.98 2.02 -0.06 -4.93 118.70 122.43 3dld s GLU 97 Ca 0.52 -1.23 0.06 0.00 0.02 0.00 0.00 54.97 54.34 3dld s GLU 97 Cb -0.27 -1.41 -0.03 0.00 0.10 0.00 0.00 34.13 32.52 3dld s GLU 97 CO 0.32 0.32 0.24 0.20 0.02 0.00 0.00 175.26 176.36 3dld s GLY 98 N -2.08 2.33 -0.17 -1.39 0.00 -1.26 -2.22 107.32 102.53 3dld s GLY 98 Ca 0.09 -1.91 -0.15 0.00 0.00 0.00 0.00 44.72 42.75 3dld s GLY 98 CO 0.05 -1.53 0.44 0.00 0.00 0.00 0.00 173.10 172.06 3dld h LEU 100 N 5.60 0.00 0.00 0.00 3.38 -1.97 0.53 115.31 122.85 3dld h LEU 100 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3dld h LEU 100 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3dld h LEU 100 CO 0.23 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.56 3dld n SER 101 N -3.02 0.00 -3.15 -0.43 7.64 -1.26 -4.24 113.62 109.16 3dld n SER 101 Ca 0.02 -0.20 -0.22 0.00 1.01 0.00 0.00 58.87 59.48 3dld n SER 101 Cb 0.35 -0.25 -0.04 0.00 -1.01 0.00 0.00 64.21 63.26 3dld n SER 101 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3dld n ILE 102 N -1.25 0.69 -2.41 0.44 5.41 0.17 0.34 119.36 122.76 3dld n ILE 102 Ca 0.14 -4.77 -0.40 0.00 1.00 0.00 0.00 62.75 58.72 3dld n ILE 102 Cb 0.20 -0.99 -0.04 0.00 -0.71 0.00 0.00 39.64 38.10 3dld n ILE 102 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3dld s PRO 103 N -2.44 4.55 0.00 0.38 0.04 -1.22 -2.80 135.00 133.51 3dld s PRO 103 Ca 0.41 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.32 3dld s PRO 103 Cb 0.28 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.70 3dld s PRO 103 CO -0.09 0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.47 3dld n GLY 104 N 1.07 2.98 3.90 0.56 0.00 -1.26 -5.05 105.19 107.39 3dld n GLY 104 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3dld n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dld s LEU 105 N 0.00 3.24 -0.08 0.99 1.43 -1.12 0.19 118.68 123.33 3dld s LEU 105 Ca 0.00 -0.84 -0.32 0.00 -1.03 0.00 0.00 54.13 51.94 3dld s LEU 105 Cb 0.00 -1.86 0.12 0.00 0.03 0.00 0.00 46.19 44.48 3dld s LEU 105 CO 0.00 -0.81 1.20 0.00 0.23 0.00 0.00 176.35 176.96 3dld s ARG 106 N -4.22 0.46 0.15 1.70 1.70 -0.67 -4.49 118.95 113.58 3dld s ARG 106 Ca 0.47 -0.22 -0.24 0.00 -0.47 0.00 0.00 55.73 55.27 3dld s ARG 106 Cb -0.03 0.18 0.06 0.00 -0.57 0.00 0.00 34.95 34.59 3dld s ARG 106 CO 0.28 -0.21 0.78 0.00 -1.08 0.00 0.00 175.30 175.07 3dld s ALA 107 N -2.55 -1.56 -0.12 7.88 0.00 -0.94 -1.47 121.76 122.99 3dld s ALA 107 Ca 0.11 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.26 3dld s ALA 107 Cb 0.01 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.80 3dld s ALA 107 CO -0.04 -0.89 0.27 0.08 0.00 0.00 0.00 175.76 175.19 3dld s VAL 108 N -3.54 5.30 -0.04 0.00 1.01 -1.25 -0.89 120.40 120.99 3dld s VAL 108 Ca 0.07 0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.58 3dld s VAL 108 Cb -0.02 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.78 3dld s VAL 108 CO -0.03 0.47 -0.09 -0.63 0.00 0.00 0.00 175.10 174.83 3dld s ILE 109 N -0.13 0.80 0.10 2.22 -1.09 0.00 -4.54 121.20 118.55 3dld s ILE 109 Ca 0.17 -0.32 -0.30 0.00 -2.23 0.00 0.00 60.65 57.97 3dld s ILE 109 Cb -0.13 -0.74 -0.05 0.00 -1.58 0.00 0.00 42.46 39.95 3dld s ILE 109 CO 0.05 0.27 1.00 -2.16 -1.23 0.00 0.00 174.94 172.86 3dld s PRO 110 N 0.51 4.64 0.18 2.79 0.04 -1.26 -2.33 135.00 139.58 3dld s PRO 110 Ca -0.08 1.50 0.03 0.00 0.04 0.00 0.00 61.00 62.48 3dld s PRO 110 Cb -0.12 -3.38 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 3dld s PRO 110 CO 0.01 0.12 -0.04 1.03 0.04 0.00 0.00 177.00 178.17 3dld s ARG 111 N 0.20 1.16 0.23 4.56 1.81 -0.64 -4.92 118.95 121.36 3dld s ARG 111 Ca 0.49 -1.54 -0.31 0.00 -1.72 0.00 0.00 55.73 52.65 3dld s ARG 111 Cb -0.24 -0.50 -0.11 0.00 -0.45 0.00 0.00 34.95 33.65 3dld s ARG 111 CO 0.30 -0.05 1.57 0.71 -0.68 0.00 0.00 175.30 177.16 3dld s TYR 112 N -3.47 2.93 0.30 -0.53 2.02 -1.26 -0.27 117.35 117.07 3dld s TYR 112 Ca 0.22 0.72 0.08 0.00 -0.37 0.00 0.00 57.07 57.72 3dld s TYR 112 Cb 0.05 -3.98 0.47 0.00 -0.40 0.00 0.00 41.96 38.09 3dld s TYR 112 CO 0.04 -3.46 1.69 -0.09 -1.57 0.00 0.00 175.55 172.16 3dld h ARG 113 N 5.79 0.14 -4.47 -0.62 2.43 -1.56 -3.43 114.38 112.65 3dld h ARG 113 Ca -0.45 -0.07 -0.58 0.00 -0.81 0.00 0.00 59.98 58.07 3dld h ARG 113 Cb 1.21 0.00 -0.37 0.00 -0.42 0.00 0.00 29.97 30.40 3dld h ARG 113 CO 0.85 0.58 -0.82 0.71 -1.51 0.00 0.00 179.97 179.79 3dld s TYR 114 N -4.00 1.96 0.11 2.20 1.51 -1.26 -1.39 117.35 116.47 3dld s TYR 114 Ca -0.03 -1.12 0.03 0.00 -1.01 0.00 0.00 57.07 54.93 3dld s TYR 114 Cb 0.13 -1.47 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 3dld s TYR 114 CO 0.76 -0.63 -0.09 0.96 -1.11 0.00 0.00 175.55 175.45 3dld s ILE 115 N 1.55 0.90 -0.13 2.71 -4.36 -0.71 0.39 121.20 121.55 3dld s ILE 115 Ca 0.04 -1.86 -0.02 0.00 -0.26 0.00 0.00 60.65 58.54 3dld s ILE 115 Cb -0.14 -1.61 -0.02 0.00 1.25 0.00 0.00 42.46 41.94 3dld s ILE 115 CO -0.09 -0.74 -0.07 -0.60 0.24 0.00 0.00 174.94 173.68 3dld s ARG 116 N -3.45 3.45 0.14 0.37 3.52 0.51 -0.04 118.95 123.45 3dld s ARG 116 Ca 0.11 -0.57 0.09 0.00 -0.13 0.00 0.00 55.73 55.23 3dld s ARG 116 Cb 0.02 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 3dld s ARG 116 CO -0.02 0.30 -0.14 1.52 -0.81 0.00 0.00 175.30 176.15 3dld s TYR 117 N 0.16 2.59 0.03 5.12 1.13 -0.43 -1.41 117.35 124.55 3dld s TYR 117 Ca -0.03 -0.24 0.01 0.00 -1.41 0.00 0.00 57.07 55.40 3dld s TYR 117 Cb -0.14 -1.33 -0.02 0.00 -1.10 0.00 0.00 41.96 39.36 3dld s TYR 117 CO 0.03 0.44 -0.06 1.03 -2.51 0.00 0.00 175.55 174.48 3dld s ARG 118 N -2.38 0.44 0.00 -3.49 0.52 -0.38 -1.22 118.95 112.44 3dld s ARG 118 Ca 0.21 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 3dld s ARG 118 Cb -0.10 -0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.20 3dld s ARG 118 CO 0.12 0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.88 3dld n GLY 119 N 1.67 -0.64 3.06 -3.53 0.00 -0.63 -0.53 105.19 104.59 3dld n GLY 119 Ca -0.22 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 3dld n GLY 119 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dld s PHE 120 N -3.92 1.06 0.82 1.61 0.08 0.24 -0.82 117.98 117.05 3dld s PHE 120 Ca 0.00 -0.21 -0.11 0.00 0.12 0.00 0.00 56.93 56.73 3dld s PHE 120 Cb 0.00 -0.69 0.08 0.00 -0.57 0.00 0.00 43.02 41.84 3dld s PHE 120 CO 0.00 -0.03 1.09 0.00 -0.10 0.00 0.00 175.22 176.19 3dld s ALA 121 N -0.22 1.98 0.48 5.36 0.00 0.21 0.07 121.76 129.64 3dld s ALA 121 Ca 0.04 0.20 0.38 0.00 0.00 0.00 0.00 51.96 52.57 3dld s ALA 121 Cb -0.05 -3.26 1.97 0.00 0.00 0.00 0.00 23.12 21.77 3dld s ALA 121 CO -0.00 -2.02 2.22 -1.35 0.00 0.00 0.00 175.76 174.61 3dld h PRO 122 N -1.31 0.00 -0.00 0.00 0.11 -1.88 0.68 132.00 129.60 3dld h PRO 122 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3dld h PRO 122 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3dld h PRO 122 CO 0.51 0.02 -0.01 -0.40 -0.21 0.00 0.00 178.00 177.92 3dld n ASP 123 N -3.25 0.05 0.00 -2.05 3.85 -1.26 0.98 116.55 114.87 3dld n ASP 123 Ca -0.02 -0.41 0.00 0.00 -0.71 0.00 0.00 54.79 53.65 3dld n ASP 123 Cb 0.16 -0.19 0.00 0.00 -1.35 0.00 0.00 41.12 39.73 3dld n ASP 123 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3dld n GLY 124 N 1.21 1.75 3.78 6.12 0.00 0.23 -4.09 105.19 114.20 3dld n GLY 124 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3dld n GLY 124 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dld s SER 125 N -1.52 5.97 0.39 1.61 1.04 -1.26 -4.71 113.70 115.21 3dld s SER 125 Ca 0.00 2.09 -0.24 0.00 0.48 0.00 0.00 55.95 58.28 3dld s SER 125 Cb 0.00 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.45 3dld s SER 125 CO 0.00 -1.05 1.00 -2.16 0.98 0.00 0.00 173.24 172.02 3dld s PRO 126 N -3.24 4.26 -0.09 4.02 0.04 -1.26 -0.62 135.00 138.11 3dld s PRO 126 Ca 0.70 1.37 0.04 0.00 0.04 0.00 0.00 61.00 63.16 3dld s PRO 126 Cb -0.21 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.82 3dld s PRO 126 CO 0.25 -0.03 -0.23 0.42 0.04 0.00 0.00 177.00 177.45 3dld s ILE 127 N -1.77 1.94 -0.10 0.56 1.01 -0.00 -4.78 121.20 118.06 3dld s ILE 127 Ca 0.57 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 3dld s ILE 127 Cb -0.18 -1.68 0.05 0.00 0.01 0.00 0.00 42.46 40.66 3dld s ILE 127 CO 0.23 0.54 0.22 -1.83 0.00 0.00 0.00 174.94 174.09 3dld s GLU 128 N 0.31 0.14 0.04 2.79 4.04 -1.26 -1.61 118.70 123.15 3dld s GLU 128 Ca -0.16 0.56 0.02 0.00 0.04 0.00 0.00 54.97 55.42 3dld s GLU 128 Cb -0.17 -0.13 -0.02 0.00 0.02 0.00 0.00 34.13 33.82 3dld s GLU 128 CO 0.08 -0.21 -0.07 1.03 -1.84 0.00 0.00 175.26 174.25 3dld s ARG 129 N 1.67 0.49 -0.04 -4.83 0.52 -0.36 -5.01 118.95 111.38 3dld s ARG 129 Ca -0.05 -0.74 -0.09 0.00 -0.52 0.00 0.00 55.73 54.34 3dld s ARG 129 Cb -0.11 -0.20 -0.05 0.00 0.52 0.00 0.00 34.95 35.11 3dld s ARG 129 CO -0.08 0.03 0.25 -1.83 0.02 0.00 0.00 175.30 173.69 3dld s GLU 130 N -1.59 3.60 0.13 3.54 1.03 -1.26 -1.31 118.70 122.85 3dld s GLU 130 Ca -0.11 0.02 0.02 0.00 0.03 0.00 0.00 54.97 54.93 3dld s GLU 130 Cb -0.10 -3.15 -0.04 0.00 -0.80 0.00 0.00 34.13 30.04 3dld s GLU 130 CO -0.00 0.71 -0.04 0.00 -1.33 0.00 0.00 175.26 174.60 3dld s ALA 131 N -1.14 1.16 0.12 -0.84 0.00 0.94 -4.99 121.76 117.02 3dld s ALA 131 Ca 0.22 -1.46 -0.04 0.00 0.00 0.00 0.00 51.96 50.68 3dld s ALA 131 Cb -0.14 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 3dld s ALA 131 CO 0.11 -0.26 0.12 -1.83 0.00 0.00 0.00 175.76 173.90 3dld s GLU 132 N -3.86 0.94 6.69 0.00 -1.05 -1.26 -1.73 118.70 118.43 3dld s GLU 132 Ca 0.17 -1.28 0.00 0.00 -0.15 0.00 0.00 54.97 53.71 3dld s GLU 132 Cb 0.05 0.29 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 3dld s GLU 132 CO -0.01 -0.28 0.00 0.41 0.95 0.00 0.00 175.26 176.33 3dld n GLY 133 N -0.09 3.38 0.06 -3.83 0.00 -0.49 -2.72 105.19 101.49 3dld n GLY 133 Ca -0.08 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 3dld n GLY 133 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dld h PHE 134 N 0.00 0.07 -0.77 1.61 3.57 -1.97 0.20 116.94 119.64 3dld h PHE 134 Ca 0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 3dld h PHE 134 Cb 0.00 -0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.63 3dld h PHE 134 CO 0.00 0.26 -0.45 1.58 -2.23 0.00 0.00 178.31 177.47 3dld n HIS 135 N -4.94 -0.34 -0.23 0.41 -0.00 -1.15 -0.83 115.22 108.14 3dld n HIS 135 Ca -0.07 0.96 -0.00 0.00 0.46 0.00 0.00 57.72 59.07 3dld n HIS 135 Cb 0.14 -0.56 0.11 0.00 -0.12 0.00 0.00 29.99 29.56 3dld n HIS 135 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3dld h ALA 136 N 0.19 0.90 -0.97 1.57 0.00 -1.14 -2.40 119.26 117.42 3dld h ALA 136 Ca 0.12 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3dld h ALA 136 Cb 0.32 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 3dld h ALA 136 CO -0.72 -0.04 0.63 -0.09 0.00 0.00 0.00 179.25 179.03 3dld h ARG 137 N 0.59 1.17 -0.34 0.00 2.43 0.45 0.33 114.38 119.00 3dld h ARG 137 Ca 0.32 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 3dld h ARG 137 Cb 0.29 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3dld h ARG 137 CO -0.24 0.77 -0.02 0.28 -1.51 0.00 0.00 179.97 179.25 3dld h VAL 138 N 1.20 1.26 -0.29 0.20 2.07 -0.50 0.11 116.25 120.30 3dld h VAL 138 Ca 0.39 -1.02 -0.15 0.00 0.82 0.00 0.00 66.70 66.75 3dld h VAL 138 Cb 0.05 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3dld h VAL 138 CO -0.13 0.33 -0.43 0.58 0.02 0.00 0.00 177.57 177.95 3dld h VAL 139 N 0.42 1.29 -0.75 2.57 2.07 -1.05 -0.30 116.25 120.50 3dld h VAL 139 Ca 0.09 -1.61 -0.04 0.00 0.82 0.00 0.00 66.70 65.96 3dld h VAL 139 Cb 0.49 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 3dld h VAL 139 CO 0.02 0.52 0.29 1.56 0.02 0.00 0.00 177.57 179.98 3dld h GLN 140 N 0.58 1.12 0.07 1.57 4.20 -0.75 -0.45 115.11 121.45 3dld h GLN 140 Ca 0.04 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 3dld h GLN 140 Cb 0.97 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.57 3dld h GLN 140 CO 0.09 0.92 -0.03 1.25 -0.67 0.00 0.00 178.83 180.39 3dld h HIS 141 N 1.08 -0.09 -0.81 2.96 2.76 -0.42 -1.66 115.15 118.97 3dld h HIS 141 Ca 0.25 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 3dld h HIS 141 Cb 0.22 0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.17 3dld h HIS 141 CO 0.02 0.10 0.51 0.93 -1.30 0.00 0.00 177.93 178.19 3dld h GLU 142 N -0.27 1.09 -0.08 5.26 4.39 -1.02 -3.03 114.58 120.92 3dld h GLU 142 Ca -0.01 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.64 3dld h GLU 142 Cb 0.23 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 3dld h GLU 142 CO 0.02 0.75 -0.12 -0.92 -1.16 0.00 0.00 179.01 177.57 3dld h TYR 143 N 1.11 -0.31 -1.00 4.33 3.20 -0.96 -1.65 116.97 121.70 3dld h TYR 143 Ca 0.29 0.02 0.35 0.00 3.14 0.00 0.00 58.73 62.53 3dld h TYR 143 Cb -0.08 0.15 -0.16 0.00 1.54 0.00 0.00 36.73 38.18 3dld h TYR 143 CO -0.01 -0.18 0.53 -0.44 -1.64 0.00 0.00 178.16 176.41 3dld h ASP 144 N -0.17 0.39 -0.13 -2.11 3.32 -1.18 0.41 116.42 116.96 3dld h ASP 144 Ca 0.07 0.22 0.04 0.00 0.02 0.00 0.00 57.03 57.38 3dld h ASP 144 Cb 0.27 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3dld h ASP 144 CO -0.18 -0.26 0.09 0.45 -1.72 0.00 0.00 179.24 177.63 3dld h HIS 145 N 0.19 0.00 0.00 4.55 3.86 -1.23 0.79 115.15 123.30 3dld h HIS 145 Ca 0.77 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.98 3dld h HIS 145 Cb 1.85 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.32 3dld h HIS 145 CO -0.04 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.03 3dld n LEU 146 N -4.44 0.53 -0.19 2.43 4.77 0.14 -2.55 117.00 117.70 3dld n LEU 146 Ca 0.00 0.57 0.04 0.00 -0.03 0.00 0.00 56.01 56.59 3dld n LEU 146 Cb 0.22 -0.43 0.07 0.00 -2.33 0.00 0.00 43.42 40.95 3dld n LEU 146 CO 0.34 -0.23 0.55 0.52 -1.33 0.00 0.00 177.39 177.24 3dld n VAL 147 N -2.02 1.26 -1.85 4.08 0.31 -0.77 -1.90 118.33 117.44 3dld n VAL 147 Ca 0.05 -1.31 -0.09 0.00 -0.01 0.00 0.00 64.34 62.98 3dld n VAL 147 Cb 0.34 0.30 -0.02 0.00 -0.91 0.00 0.00 33.84 33.56 3dld n VAL 147 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dld n GLY 148 N -0.50 0.37 3.52 2.92 0.00 -0.87 -4.62 105.19 106.00 3dld n GLY 148 Ca 0.07 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 3dld n GLY 148 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dld s ARG 149 N -3.85 2.92 0.30 1.61 3.52 0.20 -4.56 118.95 119.09 3dld s ARG 149 Ca 0.00 -0.59 0.09 0.00 -0.13 0.00 0.00 55.73 55.10 3dld s ARG 149 Cb 0.00 -2.60 -0.04 0.00 -1.56 0.00 0.00 34.95 30.75 3dld s ARG 149 CO 0.00 0.53 0.05 -0.51 -0.81 0.00 0.00 175.30 174.56 3dld s LEU 150 N -0.47 3.20 0.40 -0.88 1.43 -1.26 -3.11 118.68 117.99 3dld s LEU 150 Ca 0.07 -0.72 0.08 0.00 -1.03 0.00 0.00 54.13 52.52 3dld s LEU 150 Cb -0.12 -1.69 0.82 0.00 0.03 0.00 0.00 46.19 45.23 3dld s LEU 150 CO 0.02 -0.13 1.99 0.10 0.23 0.00 0.00 176.35 178.56 3dld h TYR 151 N 1.75 0.41 -1.00 0.29 -0.00 -1.97 -3.08 116.97 113.37 3dld h TYR 151 Ca -0.44 -0.02 0.20 0.00 0.00 0.00 0.00 58.73 58.48 3dld h TYR 151 Cb 1.25 -0.13 -0.11 0.00 0.00 0.00 0.00 36.73 37.75 3dld h TYR 151 CO 0.66 0.36 0.61 -1.35 -0.00 0.00 0.00 178.16 178.44 3dld h PRO 152 N 0.41 0.68 0.00 0.10 0.11 -1.98 0.35 132.00 131.66 3dld h PRO 152 Ca 0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3dld h PRO 152 Cb 0.15 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.10 3dld h PRO 152 CO -0.01 0.45 0.00 -1.13 -0.21 0.00 0.00 178.00 177.10 3dld n SER 153 N -4.76 0.00 -0.23 -2.05 3.41 -1.16 -1.21 113.62 107.62 3dld n SER 153 Ca 0.24 -0.39 0.08 0.00 -0.26 0.00 0.00 58.87 58.53 3dld n SER 153 Cb 0.62 -0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 3dld n SER 153 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dld n ARG 154 N -1.08 1.64 -1.87 4.33 1.74 0.12 -5.00 116.66 116.54 3dld n ARG 154 Ca 0.12 -0.49 -0.42 0.00 -0.77 0.00 0.00 57.85 56.29 3dld n ARG 154 Cb 0.08 -1.29 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 3dld n ARG 154 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dld s ILE 155 N -2.20 2.58 -0.24 0.55 1.01 -0.35 -4.59 121.20 117.96 3dld s ILE 155 Ca 0.11 0.33 -0.03 0.00 0.00 0.00 0.00 60.65 61.05 3dld s ILE 155 Cb 0.13 -3.21 -0.14 0.00 0.01 0.00 0.00 42.46 39.25 3dld s ILE 155 CO 0.52 0.02 -0.25 -0.62 0.00 0.00 0.00 174.94 174.61 3dld n GLU 156 N 4.51 0.58 -3.50 2.79 1.02 -1.26 -4.87 120.64 119.91 3dld n GLU 156 Ca 0.15 0.17 -0.42 0.00 -0.02 0.00 0.00 57.16 57.04 3dld n GLU 156 Cb 0.38 -1.45 -0.07 0.00 -0.02 0.00 0.00 31.44 30.28 3dld n GLU 156 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3dld s ASN 157 N -6.66 5.85 0.41 1.62 2.47 -1.26 -4.94 114.94 112.44 3dld s ASN 157 Ca -0.33 -2.01 0.29 0.00 0.42 0.00 0.00 52.86 51.22 3dld s ASN 157 Cb 0.10 -2.05 1.33 0.00 -1.45 0.00 0.00 41.25 39.17 3dld s ASN 157 CO 0.52 -0.70 1.87 -0.26 -3.72 0.00 0.00 177.10 174.81 3dld h PHE 158 N 8.39 0.00 -0.12 0.43 0.04 -1.96 -1.87 116.94 121.86 3dld h PHE 158 Ca -0.19 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.61 3dld h PHE 158 Cb 1.07 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.21 3dld h PHE 158 CO 0.69 0.00 0.11 -0.44 -0.60 0.00 0.00 178.31 178.08 3dld h ASP 159 N 0.00 0.00 -0.06 2.17 5.19 -2.01 -2.11 116.42 119.59 3dld h ASP 159 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3dld h ASP 159 Cb 0.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.81 3dld h ASP 159 CO 0.00 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.47 3dld n THR 160 N -4.05 0.06 -3.37 0.35 -2.24 -0.70 -4.84 114.28 99.49 3dld n THR 160 Ca 0.00 -0.35 -0.39 0.00 -2.27 0.00 0.00 64.05 61.04 3dld n THR 160 Cb 0.23 0.75 -0.08 0.00 -2.10 0.00 0.00 70.33 69.12 3dld n THR 160 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3dld s PHE 161 N -1.94 3.28 0.00 4.78 5.36 -0.80 -3.93 117.98 124.74 3dld s PHE 161 Ca 0.35 0.49 0.00 0.00 -0.96 0.00 0.00 56.93 56.81 3dld s PHE 161 Cb 0.20 -2.57 0.00 0.00 -0.34 0.00 0.00 43.02 40.31 3dld s PHE 161 CO 0.31 -0.17 0.00 0.41 -1.46 0.00 0.00 175.22 174.31 3dld n GLY 162 N 4.44 0.88 3.78 13.12 0.00 -0.54 -5.01 105.19 121.86 3dld n GLY 162 Ca -0.08 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 3dld n GLY 162 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dld s PHE 163 N -3.10 3.74 0.32 1.61 0.40 -1.26 -1.68 117.98 118.02 3dld s PHE 163 Ca 0.00 1.25 0.04 0.00 -0.60 0.00 0.00 56.93 57.62 3dld s PHE 163 Cb 0.00 -2.57 0.67 0.00 0.51 0.00 0.00 43.02 41.62 3dld s PHE 163 CO 0.00 0.45 1.87 0.22 0.70 0.00 0.00 175.22 178.46 3dld h ASP 164 N 5.15 0.80 0.34 1.36 1.82 0.17 0.24 116.42 126.30 3dld h ASP 164 Ca -0.47 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 3dld h ASP 164 Cb 1.21 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.09 3dld h ASP 164 CO 0.67 0.44 -0.01 -0.90 -1.61 0.00 0.00 179.24 177.83 3dld n ASP 165 N -4.57 0.08 -0.04 2.28 5.75 -1.26 -3.82 116.55 114.98 3dld n ASP 165 Ca 0.17 -0.51 -0.04 0.00 -0.01 0.00 0.00 54.79 54.39 3dld n ASP 165 Cb 0.37 -0.16 -0.05 0.00 -1.03 0.00 0.00 41.12 40.25 3dld n ASP 165 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3dld n VAL 166 N -1.12 0.47 -1.48 2.12 0.31 0.65 -5.05 118.33 114.22 3dld n VAL 166 Ca 0.18 -0.24 -0.38 0.00 -0.01 0.00 0.00 64.34 63.89 3dld n VAL 166 Cb 0.20 -0.81 0.05 0.00 -0.91 0.00 0.00 33.84 32.37 3dld n VAL 166 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3dld n LEU 167 N -2.44 1.75 -0.97 7.52 4.77 -0.11 -4.95 117.00 122.58 3dld n LEU 167 Ca -0.12 0.73 -0.03 0.00 -0.03 0.00 0.00 56.01 56.56 3dld n LEU 167 Cb 0.69 -1.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.50 3dld n LEU 167 CO 0.12 -2.69 0.26 -1.54 -1.33 0.00 0.00 177.39 172.21 3dld n SER 168 N -0.09 -0.30 -4.72 -1.43 3.41 -1.26 -5.04 113.62 104.19 3dld n SER 168 Ca 0.12 -1.80 -0.41 0.00 -0.26 0.00 0.00 58.87 56.51 3dld n SER 168 Cb 0.48 0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 3dld n SER 168 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3dld s TYR 169 N 0.00 3.63 -2.33 7.33 5.04 -1.26 -5.23 117.35 124.53 3dld s TYR 169 Ca 0.07 1.60 0.29 0.00 -2.44 0.00 0.00 57.07 56.60 3dld s TYR 169 Cb 0.08 -3.22 1.35 0.00 0.35 0.00 0.00 41.96 40.52 3dld s TYR 169 CO -0.04 -0.41 1.91 -0.25 -1.34 0.00 0.00 175.55 175.42