#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d87 s SER 2 N 0.00 5.12 -0.49 1.61 0.01 -1.26 -5.10 113.70 113.60 2d87 s SER 2 Ca 0.00 -0.51 0.03 0.00 1.31 0.00 0.00 55.95 56.78 2d87 s SER 2 Cb 0.00 -1.02 0.13 0.00 0.21 0.00 0.00 66.02 65.34 2d87 s SER 2 CO 0.00 -0.21 0.24 -0.94 0.41 0.00 0.00 173.24 172.74 2d87 s SER 3 N -3.88 4.61 0.00 2.44 1.04 -1.26 -5.06 113.70 111.60 2d87 s SER 3 Ca 0.37 -2.75 0.00 0.00 0.48 0.00 0.00 55.95 54.05 2d87 s SER 3 Cb -0.06 -1.68 0.00 0.00 0.10 0.00 0.00 66.02 64.38 2d87 s SER 3 CO 0.24 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2d87 n GLY 4 N 3.50 1.77 3.01 7.32 0.00 -1.26 -4.30 105.19 115.23 2d87 n GLY 4 Ca 0.05 0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.26 2d87 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d87 s SER 5 N -3.46 0.30 -0.14 1.61 0.01 -1.26 -5.14 113.70 105.62 2d87 s SER 5 Ca 0.00 0.58 -0.18 0.00 1.31 0.00 0.00 55.95 57.66 2d87 s SER 5 Cb 0.00 0.66 0.05 0.00 0.21 0.00 0.00 66.02 66.93 2d87 s SER 5 CO 0.00 -0.23 0.49 -0.94 0.41 0.00 0.00 173.24 172.96 2d87 s SER 6 N 2.29 -0.48 0.27 2.44 1.04 -1.26 -4.67 113.70 113.32 2d87 s SER 6 Ca 0.00 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.26 2d87 s SER 6 Cb -0.12 0.85 0.00 0.00 0.10 0.00 0.00 66.02 66.85 2d87 s SER 6 CO -0.08 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2d87 n GLY 7 N 2.37 -5.37 0.17 7.32 0.00 -1.26 -4.60 105.19 103.81 2d87 n GLY 7 Ca -0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 2d87 n GLY 7 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2d87 h ILE 8 N 4.16 1.36 -0.17 -0.61 5.03 -1.98 -2.90 117.51 122.41 2d87 h ILE 8 Ca 0.00 -1.78 0.05 0.00 -0.12 0.00 0.00 64.86 63.01 2d87 h ILE 8 Cb 0.00 1.90 -0.01 0.00 -3.03 0.00 0.00 36.82 35.69 2d87 h ILE 8 CO 0.00 0.52 0.45 0.50 -0.68 0.00 0.00 178.15 178.94 2d87 h LYS 9 N 0.10 0.00 0.00 2.37 3.64 -2.01 -1.58 116.57 119.10 2d87 h LYS 9 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2d87 h LYS 9 Cb 0.95 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2d87 h LYS 9 CO 0.07 0.00 -0.20 0.37 -2.27 0.00 0.00 179.45 177.42 2d87 h GLN 10 N 0.00 0.00 -1.83 1.90 -0.00 -1.76 -3.33 115.11 110.09 2d87 h GLN 10 Ca 0.08 0.00 0.53 0.00 -0.00 0.00 0.00 58.65 59.26 2d87 h GLN 10 Cb 0.98 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 28.39 2d87 h GLN 10 CO -0.00 0.00 1.35 0.00 0.00 0.00 0.00 178.83 180.18 2d87 h MET 11 N -0.42 0.00 0.11 1.69 -0.00 -1.54 0.61 114.93 115.39 2d87 h MET 11 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 2d87 h MET 11 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.80 2d87 h MET 11 CO 0.00 0.00 -0.05 -0.07 -0.00 0.00 0.00 176.91 176.79 2d87 h LEU 12 N 0.00 -0.13 -0.47 -0.10 3.38 -1.46 -0.78 115.31 115.75 2d87 h LEU 12 Ca 0.87 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.56 2d87 h LEU 12 Cb 3.55 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 44.31 2d87 h LEU 12 CO -0.01 0.24 0.30 0.25 0.09 0.00 0.00 178.44 179.31 2d87 h LEU 13 N -0.51 0.51 -0.63 1.67 5.85 0.10 0.23 115.31 122.53 2d87 h LEU 13 Ca -0.02 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2d87 h LEU 13 Cb 0.41 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2d87 h LEU 13 CO 0.03 0.36 0.33 -0.78 -0.34 0.00 0.00 178.44 178.04 2d87 h ASP 14 N 0.61 0.80 -0.24 1.25 3.58 -1.39 -2.82 116.42 118.20 2d87 h ASP 14 Ca 0.18 -0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 2d87 h ASP 14 Cb -0.03 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 2d87 h ASP 14 CO -0.06 0.68 -0.07 -0.25 -2.88 0.00 0.00 179.24 176.66 2d87 h TRP 15 N 0.86 0.53 -0.83 0.28 7.01 -0.73 -3.03 115.95 120.04 2d87 h TRP 15 Ca 0.22 -0.12 0.20 0.00 2.11 0.00 0.00 58.89 61.30 2d87 h TRP 15 Cb 0.07 -0.13 -0.12 0.00 -2.10 0.00 0.00 29.16 26.88 2d87 h TRP 15 CO -0.00 0.71 0.29 0.00 -2.79 0.00 0.00 178.44 176.64 2d87 h ARG 17 N 0.33 -0.14 -1.16 0.00 3.08 -1.43 0.44 114.38 115.50 2d87 h ARG 17 Ca 0.50 0.01 0.33 0.00 0.07 0.00 0.00 59.98 60.89 2d87 h ARG 17 Cb 0.92 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.94 2d87 h ARG 17 CO -0.54 -0.00 0.81 0.00 -1.07 0.00 0.00 179.97 179.16 2d87 h ALA 18 N 0.65 2.84 0.00 0.04 0.00 -1.04 1.04 119.26 122.79 2d87 h ALA 18 Ca -0.01 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2d87 h ALA 18 Cb 0.20 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2d87 h ALA 18 CO 0.02 -1.22 -1.70 1.63 0.00 0.00 0.00 179.25 177.99 2d87 n LYS 19 N -4.34 0.64 -1.29 0.00 4.76 -0.94 -4.23 118.16 112.76 2d87 n LYS 19 Ca 0.26 0.07 -0.17 0.00 -2.87 0.00 0.00 58.31 55.60 2d87 n LYS 19 Cb 1.16 -1.69 0.12 0.00 -1.84 0.00 0.00 35.03 32.78 2d87 n LYS 19 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2d87 n THR 20 N -2.69 2.78 -3.67 -0.18 -1.04 0.16 -4.65 114.28 104.99 2d87 n THR 20 Ca -0.12 -3.22 -0.36 0.00 -2.04 0.00 0.00 64.05 58.30 2d87 n THR 20 Cb 0.80 -0.74 -0.07 0.00 -1.82 0.00 0.00 70.33 68.51 2d87 n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2d87 s ARG 21 N -3.47 3.96 0.00 -2.82 1.70 0.31 -4.32 118.95 114.30 2d87 s ARG 21 Ca 0.51 0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.78 2d87 s ARG 21 Cb 0.43 -3.33 0.00 0.00 -0.57 0.00 0.00 34.95 31.48 2d87 s ARG 21 CO 0.01 0.47 0.00 0.41 -1.08 0.00 0.00 175.30 175.11 2d87 n GLY 22 N 2.78 3.00 3.54 3.88 0.00 -1.26 -5.03 105.19 112.10 2d87 n GLY 22 Ca -0.15 -0.85 -0.50 0.00 0.00 0.00 0.00 46.02 44.52 2d87 n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2d87 n TYR 23 N 0.00 1.85 -1.89 1.61 4.01 -1.26 -4.89 117.16 116.59 2d87 n TYR 23 Ca 0.00 0.18 -0.39 0.00 -0.16 0.00 0.00 57.90 57.53 2d87 n TYR 23 Cb 0.00 -2.58 0.02 0.00 -0.31 0.00 0.00 39.34 36.47 2d87 n TYR 23 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2d87 s GLU 24 N 5.54 3.52 -0.98 -0.72 2.56 -1.26 -2.86 118.70 124.49 2d87 s GLU 24 Ca 1.04 2.22 -0.03 0.00 0.00 0.00 0.00 54.97 58.19 2d87 s GLU 24 Cb -0.77 -2.48 0.00 0.00 2.00 0.00 0.00 34.13 32.89 2d87 s GLU 24 CO 0.49 -0.88 0.45 0.72 -0.56 0.00 0.00 175.26 175.48 2d87 n HIS 25 N -0.52 -1.36 -3.86 5.30 8.25 -1.26 -5.02 115.22 116.75 2d87 n HIS 25 Ca 0.07 0.39 -0.11 0.00 -0.26 0.00 0.00 57.72 57.80 2d87 n HIS 25 Cb 0.44 -3.31 -0.11 0.00 1.12 0.00 0.00 29.99 28.13 2d87 n HIS 25 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2d87 s VAL 26 N -2.99 0.05 -0.30 1.59 1.01 -1.13 -4.83 120.40 113.80 2d87 s VAL 26 Ca 0.22 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 2d87 s VAL 26 Cb -0.10 -0.30 0.19 0.00 0.00 0.00 0.00 36.38 36.17 2d87 s VAL 26 CO 0.28 -0.21 0.89 -1.81 0.00 0.00 0.00 175.10 174.25 2d87 s ASP 27 N -0.71 -0.80 -1.02 3.32 1.01 -1.26 -4.93 116.67 112.27 2d87 s ASP 27 Ca -0.08 0.30 -0.19 0.00 0.71 0.00 0.00 52.55 53.29 2d87 s ASP 27 Cb -0.05 1.59 0.10 0.00 1.01 0.00 0.00 42.92 45.58 2d87 s ASP 27 CO 0.01 -0.15 1.32 -0.63 0.21 0.00 0.00 175.17 175.92 2d87 s ILE 28 N 2.92 4.45 -0.11 0.77 1.01 -1.26 -4.76 121.20 124.21 2d87 s ILE 28 Ca 0.13 -1.46 -0.10 0.00 0.00 0.00 0.00 60.65 59.22 2d87 s ILE 28 Cb -0.09 -4.92 -0.27 0.00 0.01 0.00 0.00 42.46 37.20 2d87 s ILE 28 CO -0.19 -1.70 0.43 1.56 0.00 0.00 0.00 174.94 175.04 2d87 h GLN 29 N 8.86 0.27 -3.90 2.79 4.20 -1.95 -3.47 115.11 121.91 2d87 h GLN 29 Ca 0.21 -0.46 -0.12 0.00 0.06 0.00 0.00 58.65 58.35 2d87 h GLN 29 Cb 0.99 0.17 -0.10 0.00 0.30 0.00 0.00 27.48 28.84 2d87 h GLN 29 CO 1.26 1.22 -0.24 0.54 -0.67 0.00 0.00 178.83 180.94 2d87 s ASN 30 N -7.08 0.04 -0.68 1.46 6.03 -1.26 -5.06 114.94 108.39 2d87 s ASN 30 Ca -0.22 -1.08 -0.01 0.00 -1.03 0.00 0.00 52.86 50.53 2d87 s ASN 30 Cb 0.06 0.55 0.43 0.00 -3.03 0.00 0.00 41.25 39.25 2d87 s ASN 30 CO 0.77 -1.09 1.95 0.49 -2.03 0.00 0.00 177.10 177.19 2d87 n PHE 31 N -0.37 3.15 0.00 1.54 3.72 -1.26 -3.95 117.46 120.29 2d87 n PHE 31 Ca -0.01 -2.81 0.00 0.00 -0.05 0.00 0.00 57.45 54.59 2d87 n PHE 31 Cb 0.63 -1.27 0.00 0.00 -0.94 0.00 0.00 39.48 37.89 2d87 n PHE 31 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2d87 n SER 32 N -0.80 0.00 -1.24 4.37 2.88 -1.26 -3.00 113.62 114.57 2d87 n SER 32 Ca 0.59 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 58.07 2d87 n SER 32 Cb 0.58 -0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.16 2d87 n SER 32 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2d87 n SER 33 N -2.50 2.97 -0.11 -3.46 3.41 -1.26 -3.15 113.62 109.52 2d87 n SER 33 Ca 0.00 -3.75 -0.13 0.00 -0.26 0.00 0.00 58.87 54.73 2d87 n SER 33 Cb 0.00 -0.45 -0.14 0.00 -0.26 0.00 0.00 64.21 63.36 2d87 n SER 33 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2d87 n SER 34 N -0.90 0.81 -0.02 4.04 2.88 -1.25 -4.51 113.62 114.67 2d87 n SER 34 Ca 0.28 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2d87 n SER 34 Cb 0.82 0.48 -0.13 0.00 -0.75 0.00 0.00 64.21 64.62 2d87 n SER 34 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2d87 n TRP 35 N -2.92 0.35 -0.24 0.66 7.02 -1.26 -4.37 117.44 116.67 2d87 n TRP 35 Ca -0.37 0.11 0.24 0.00 -1.02 0.00 0.00 57.50 56.47 2d87 n TRP 35 Cb 1.08 -0.87 0.44 0.00 -2.42 0.00 0.00 31.31 29.55 2d87 n TRP 35 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2d87 n SER 36 N -2.64 0.26 0.10 -0.99 3.41 -1.26 0.11 113.62 112.62 2d87 n SER 36 Ca -0.15 1.26 -0.12 0.00 -0.26 0.00 0.00 58.87 59.59 2d87 n SER 36 Cb 0.85 -0.61 -0.07 0.00 -0.26 0.00 0.00 64.21 64.12 2d87 n SER 36 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2d87 h ASP 37 N 0.00 -1.13 0.00 4.04 5.19 -1.86 -3.48 116.42 119.18 2d87 h ASP 37 Ca 0.64 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 57.17 2d87 h ASP 37 Cb 1.70 0.41 0.00 0.00 0.18 0.00 0.00 39.33 41.62 2d87 h ASP 37 CO -0.58 -0.42 0.00 0.61 -3.12 0.00 0.00 179.24 175.73 2d87 n GLY 38 N -1.36 2.09 0.34 2.75 0.00 0.12 -4.59 105.19 104.54 2d87 n GLY 38 Ca -0.07 -0.36 0.16 0.00 0.00 0.00 0.00 46.02 45.75 2d87 n GLY 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2d87 n MET 39 N 0.00 -0.08 -0.11 1.61 2.81 -1.26 -1.44 117.12 118.65 2d87 n MET 39 Ca 0.00 1.48 -0.03 0.00 -1.81 0.00 0.00 57.70 57.34 2d87 n MET 39 Cb 0.00 -2.36 -0.03 0.00 -0.71 0.00 0.00 33.22 30.12 2d87 n MET 39 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2d87 n ALA 40 N -3.12 -0.17 0.06 3.04 0.00 -1.26 -0.29 120.51 118.77 2d87 n ALA 40 Ca 0.24 0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.78 2d87 n ALA 40 Cb 0.79 0.18 -0.06 0.00 0.00 0.00 0.00 19.45 20.36 2d87 n ALA 40 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2d87 h PHE 41 N 0.00 -1.00 -0.57 0.00 0.04 -1.53 -2.02 116.94 111.86 2d87 h PHE 41 Ca 0.04 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.90 2d87 h PHE 41 Cb 0.11 0.44 -0.09 0.00 2.20 0.00 0.00 35.95 38.61 2d87 h PHE 41 CO -0.69 -0.45 -0.55 0.00 -0.60 0.00 0.00 178.31 176.02 2d87 h ALA 43 N 0.07 -0.17 -0.87 0.00 0.00 -0.36 0.39 119.26 118.33 2d87 h ALA 43 Ca 0.10 0.12 0.19 0.00 0.00 0.00 0.00 54.91 55.31 2d87 h ALA 43 Cb 0.53 0.74 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 2d87 h ALA 43 CO -0.68 -0.72 0.40 1.25 0.00 0.00 0.00 179.25 179.50 2d87 h LEU 44 N -0.23 0.39 0.32 0.00 5.85 -0.48 -2.06 115.31 119.08 2d87 h LEU 44 Ca 0.19 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 2d87 h LEU 44 Cb 0.54 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.67 2d87 h LEU 44 CO -0.58 0.07 -0.15 0.58 -0.34 0.00 0.00 178.44 178.02 2d87 h VAL 45 N 0.47 0.00 -0.70 1.05 2.07 0.44 -3.28 116.25 116.30 2d87 h VAL 45 Ca 0.52 -0.45 0.23 0.00 0.82 0.00 0.00 66.70 67.82 2d87 h VAL 45 Cb 0.91 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.55 2d87 h VAL 45 CO -0.47 0.00 0.15 1.57 0.02 0.00 0.00 177.57 178.84 2d87 n HIS 46 N -4.40 0.58 -0.18 1.57 -0.00 0.11 0.19 115.22 113.09 2d87 n HIS 46 Ca -0.05 0.83 -0.01 0.00 -0.00 0.00 0.00 57.72 58.49 2d87 n HIS 46 Cb 0.17 -1.11 0.08 0.00 -0.00 0.00 0.00 29.99 29.12 2d87 n HIS 46 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.34 175.37 2d87 h ASN 47 N 0.00 -0.29 0.40 0.26 -1.24 -1.44 -0.35 115.58 112.92 2d87 h ASN 47 Ca 0.49 0.14 -0.02 0.00 0.71 0.00 0.00 56.30 57.62 2d87 h ASN 47 Cb 1.13 0.26 0.00 0.00 0.73 0.00 0.00 38.32 40.45 2d87 h ASN 47 CO -0.61 -0.11 -0.19 -0.26 -1.29 0.00 0.00 177.43 174.97 2d87 h PHE 48 N 0.10 -0.50 -3.38 0.67 0.04 0.19 -3.40 116.94 110.67 2d87 h PHE 48 Ca 0.28 -0.01 -0.65 0.00 2.80 0.00 0.00 57.97 60.39 2d87 h PHE 48 Cb 0.45 0.16 -0.40 0.00 2.20 0.00 0.00 35.95 38.36 2d87 h PHE 48 CO -0.36 -0.18 -0.57 -0.06 -0.60 0.00 0.00 178.31 176.54 2d87 s PHE 49 N -4.10 3.26 0.07 -0.55 0.40 -0.83 -4.95 117.98 111.28 2d87 s PHE 49 Ca -0.12 -3.12 -0.18 0.00 -0.60 0.00 0.00 56.93 52.91 2d87 s PHE 49 Cb 0.01 -2.87 -0.11 0.00 0.51 0.00 0.00 43.02 40.56 2d87 s PHE 49 CO 0.43 -0.74 1.38 -1.00 0.70 0.00 0.00 175.22 176.00 2d87 h PRO 50 N 6.46 0.53 0.00 0.24 0.13 -1.28 -3.10 132.00 134.97 2d87 h PRO 50 Ca -0.04 -0.28 -0.05 0.00 -0.87 0.00 0.00 66.00 64.75 2d87 h PRO 50 Cb 0.89 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 2d87 h PRO 50 CO 0.70 0.86 -0.26 1.05 -0.23 0.00 0.00 178.00 180.12 2d87 h GLU 51 N 0.22 0.00 -0.92 0.86 4.11 -1.92 -2.86 114.58 114.07 2d87 h GLU 51 Ca 0.04 0.00 0.20 0.00 0.07 0.00 0.00 59.36 59.67 2d87 h GLU 51 Cb 0.76 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.94 2d87 h GLU 51 CO 0.05 0.26 0.60 0.00 0.07 0.00 0.00 179.01 180.00 2d87 h ALA 52 N 1.74 2.16 -1.45 1.06 0.00 -1.92 -3.42 119.26 117.43 2d87 h ALA 52 Ca -0.00 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.04 2d87 h ALA 52 Cb 0.57 -0.03 -0.28 0.00 0.00 0.00 0.00 17.79 18.05 2d87 h ALA 52 CO 0.03 -0.45 0.54 -0.59 0.00 0.00 0.00 179.25 178.78 2d87 s PHE 53 N -5.47 -0.39 -0.13 0.00 -0.71 -1.08 -4.99 117.98 105.22 2d87 s PHE 53 Ca -0.08 0.89 -0.29 0.00 -1.04 0.00 0.00 56.93 56.40 2d87 s PHE 53 Cb 0.23 0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 42.38 2d87 s PHE 53 CO 0.79 -0.19 1.47 -0.51 -1.34 0.00 0.00 175.22 175.44 2d87 s ASP 54 N 0.46 6.75 -0.01 1.98 1.11 -1.26 -4.78 116.67 120.92 2d87 s ASP 54 Ca 0.01 1.90 -0.17 0.00 0.18 0.00 0.00 52.55 54.47 2d87 s ASP 54 Cb -0.05 -2.54 -0.09 0.00 1.07 0.00 0.00 42.92 41.32 2d87 s ASP 54 CO -0.10 -0.90 0.80 0.22 1.18 0.00 0.00 175.17 176.37 2d87 h TYR 55 N 9.09 -0.56 -1.35 4.23 3.20 -1.97 -3.19 116.97 126.41 2d87 h TYR 55 Ca -0.33 -0.01 0.42 0.00 3.14 0.00 0.00 58.73 61.95 2d87 h TYR 55 Cb 1.14 0.19 -0.11 0.00 1.54 0.00 0.00 36.73 39.49 2d87 h TYR 55 CO 0.85 -0.35 0.90 0.78 -1.64 0.00 0.00 178.16 178.70 2d87 h GLY 56 N -0.97 0.96 0.97 1.82 0.00 -2.01 0.75 103.07 104.60 2d87 h GLY 56 Ca -0.06 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.21 2d87 h GLY 56 CO 0.10 -0.26 0.58 1.46 0.00 0.00 0.00 176.54 178.42 2d87 h GLN 57 N 0.11 1.03 -7.16 4.80 1.08 -1.96 -3.43 115.11 109.58 2d87 h GLN 57 Ca 0.77 -0.06 -0.43 0.00 -1.45 0.00 0.00 58.65 57.48 2d87 h GLN 57 Cb 2.53 -0.23 0.21 0.00 -0.05 0.00 0.00 27.48 29.93 2d87 h GLN 57 CO -0.30 0.68 0.01 -0.51 -0.95 0.00 0.00 178.83 177.77 2d87 s LEU 58 N -9.97 0.56 0.04 1.46 1.43 0.26 -5.06 118.68 107.39 2d87 s LEU 58 Ca -0.11 1.33 0.01 0.00 -1.03 0.00 0.00 54.13 54.32 2d87 s LEU 58 Cb 0.19 -3.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 2d87 s LEU 58 CO 0.80 -4.30 -0.06 -0.44 0.23 0.00 0.00 176.35 172.58 2d87 s SER 59 N -2.75 0.63 0.12 2.29 0.01 -1.26 -5.06 113.70 107.68 2d87 s SER 59 Ca 0.68 -0.59 -0.13 0.00 1.31 0.00 0.00 55.95 57.22 2d87 s SER 59 Cb -0.22 0.07 -0.06 0.00 0.21 0.00 0.00 66.02 66.02 2d87 s SER 59 CO 0.63 -0.28 1.45 1.55 0.41 0.00 0.00 173.24 177.00 2d87 h PRO 60 N 4.36 0.84 -0.16 12.44 0.13 -1.98 -2.96 132.00 144.66 2d87 h PRO 60 Ca -0.34 -0.44 0.05 0.00 -0.87 0.00 0.00 66.00 64.39 2d87 h PRO 60 Cb 1.20 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2d87 h PRO 60 CO 0.44 1.08 0.38 1.96 -0.23 0.00 0.00 178.00 181.63 2d87 h GLN 61 N 0.63 0.00 -6.41 0.86 7.50 -1.97 -3.37 115.11 112.35 2d87 h GLN 61 Ca 0.05 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.66 2d87 h GLN 61 Cb 0.93 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 28.39 2d87 h GLN 61 CO 0.08 0.00 1.07 -0.80 -1.50 0.00 0.00 178.83 177.69 2d87 s ASN 62 N -4.80 6.16 0.02 1.46 0.01 -1.12 -4.85 114.94 111.83 2d87 s ASN 62 Ca -0.04 0.00 -0.11 0.00 -0.71 0.00 0.00 52.86 52.01 2d87 s ASN 62 Cb 0.11 -2.55 -0.32 0.00 0.41 0.00 0.00 41.25 38.90 2d87 s ASN 62 CO 0.39 -1.74 0.93 0.03 -1.51 0.00 0.00 177.10 175.20 2d87 h ARG 63 N 10.59 0.42 0.00 -0.60 3.08 -1.81 -3.28 114.38 122.78 2d87 h ARG 63 Ca -0.27 -0.71 0.00 0.00 0.07 0.00 0.00 59.98 59.07 2d87 h ARG 63 Cb 1.07 0.27 0.00 0.00 0.08 0.00 0.00 29.97 31.39 2d87 h ARG 63 CO 1.22 1.33 0.00 0.54 -1.07 0.00 0.00 179.97 181.98 2d87 n ARG 64 N -3.61 0.00 -0.25 0.04 3.00 -1.26 -4.02 116.66 110.56 2d87 n ARG 64 Ca -0.17 0.37 0.03 0.00 -0.01 0.00 0.00 57.85 58.06 2d87 n ARG 64 Cb 1.08 -0.86 0.08 0.00 0.00 0.00 0.00 32.46 32.75 2d87 n ARG 64 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2d87 n GLN 65 N -1.85 -0.09 -0.30 5.56 7.27 -1.26 0.15 117.38 126.86 2d87 n GLN 65 Ca 0.00 1.06 0.06 0.00 0.07 0.00 0.00 57.00 58.19 2d87 n GLN 65 Cb 0.00 -1.58 0.15 0.00 2.41 0.00 0.00 30.24 31.23 2d87 n GLN 65 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 2d87 h ASN 66 N 0.00 -0.64 0.24 1.69 2.35 -1.74 0.34 115.58 117.82 2d87 h ASN 66 Ca 0.30 0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 56.29 2d87 h ASN 66 Cb 0.47 0.48 0.00 0.00 0.05 0.00 0.00 38.32 39.32 2d87 h ASN 66 CO -0.69 -0.27 -0.11 -0.26 -1.65 0.00 0.00 177.43 174.44 2d87 h PHE 67 N 0.03 -0.29 -0.93 1.19 -1.00 0.13 -2.85 116.94 113.21 2d87 h PHE 67 Ca 0.45 -0.01 0.11 0.00 2.81 0.00 0.00 57.97 61.33 2d87 h PHE 67 Cb 0.76 0.10 -0.13 0.00 3.61 0.00 0.00 35.95 40.29 2d87 h PHE 67 CO -0.58 -0.18 -0.52 0.93 -1.61 0.00 0.00 178.31 176.35 2d87 h GLU 68 N -0.90 -0.04 -0.75 1.51 4.39 -0.84 0.43 114.58 118.38 2d87 h GLU 68 Ca -0.03 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.78 2d87 h GLU 68 Cb 0.24 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.82 2d87 h GLU 68 CO 0.05 -0.03 0.37 0.28 -1.16 0.00 0.00 179.01 178.53 2d87 h VAL 69 N -0.04 0.80 -0.81 3.13 2.07 -0.48 0.23 116.25 121.16 2d87 h VAL 69 Ca 0.21 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.61 2d87 h VAL 69 Cb 0.49 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 2d87 h VAL 69 CO -0.92 0.11 0.47 0.00 0.02 0.00 0.00 177.57 177.25 2d87 h ALA 70 N 1.47 1.14 0.15 1.67 0.00 0.05 0.38 119.26 124.12 2d87 h ALA 70 Ca 0.38 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2d87 h ALA 70 Cb 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2d87 h ALA 70 CO -0.30 0.12 -0.07 0.74 0.00 0.00 0.00 179.25 179.74 2d87 h PHE 71 N 0.81 -0.18 0.45 0.00 0.04 0.12 -3.24 116.94 114.94 2d87 h PHE 71 Ca 0.38 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.13 2d87 h PHE 71 Cb 0.30 0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 2d87 h PHE 71 CO -0.06 0.21 -0.51 1.03 -0.60 0.00 0.00 178.31 178.38 2d87 h SER 72 N -0.94 -1.42 -0.83 2.17 0.87 -0.48 -0.86 113.55 112.04 2d87 h SER 72 Ca -0.02 0.12 0.12 0.00 -1.23 0.00 0.00 61.79 60.78 2d87 h SER 72 Cb 0.48 0.48 -0.13 0.00 -0.44 0.00 0.00 62.40 62.78 2d87 h SER 72 CO 0.03 -0.65 -0.34 -1.20 -0.53 0.00 0.00 176.83 174.14 2d87 n SER 73 N -5.52 -0.57 0.36 6.23 7.64 0.13 -1.05 113.62 120.84 2d87 n SER 73 Ca -0.12 1.46 -0.14 0.00 1.01 0.00 0.00 58.87 61.08 2d87 n SER 73 Cb 0.46 -0.32 -0.07 0.00 -1.01 0.00 0.00 64.21 63.27 2d87 n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d87 h ALA 74 N 1.09 -1.15 -1.46 -0.43 0.00 -1.51 -2.64 119.26 113.16 2d87 h ALA 74 Ca 0.28 -0.20 0.42 0.00 0.00 0.00 0.00 54.91 55.41 2d87 h ALA 74 Cb 0.49 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 2d87 h ALA 74 CO -0.82 -1.09 1.28 -1.91 0.00 0.00 0.00 179.25 176.71 2d87 n GLU 75 N -4.64 0.01 -0.19 0.00 2.13 -0.31 0.05 120.64 117.69 2d87 n GLU 75 Ca -0.11 1.02 -0.08 0.00 0.66 0.00 0.00 57.16 58.64 2d87 n GLU 75 Cb 0.36 -2.44 -0.07 0.00 0.27 0.00 0.00 31.44 29.56 2d87 n GLU 75 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2d87 h THR 76 N 0.00 0.00 0.00 6.31 2.02 -0.70 -2.06 112.91 118.48 2d87 h THR 76 Ca 0.69 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.86 2d87 h THR 76 Cb 3.25 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 69.66 2d87 h THR 76 CO -0.01 0.00 -1.15 0.00 0.37 0.00 0.00 175.52 174.74 2d87 n HIS 77 N -4.50 0.00 0.07 3.16 1.44 -0.40 -4.63 115.22 110.35 2d87 n HIS 77 Ca -0.01 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.64 2d87 n HIS 77 Cb 0.20 -0.08 -0.08 0.00 0.12 0.00 0.00 29.99 30.15 2d87 n HIS 77 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2d87 h ALA 78 N 0.25 0.44 -6.28 1.59 0.00 -0.49 -3.48 119.26 111.29 2d87 h ALA 78 Ca -0.01 -0.86 -0.46 0.00 0.00 0.00 0.00 54.91 53.58 2d87 h ALA 78 Cb 0.29 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2d87 h ALA 78 CO 0.00 1.18 -0.86 -3.47 0.00 0.00 0.00 179.25 176.10 2d87 n ASP 79 N -3.41 -0.95 -4.75 0.00 2.03 -0.77 -4.87 116.55 103.83 2d87 n ASP 79 Ca -0.00 -0.92 -0.40 0.00 0.52 0.00 0.00 54.79 53.99 2d87 n ASP 79 Cb 0.89 -3.56 -0.06 0.00 -0.72 0.00 0.00 41.12 37.68 2d87 n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2d87 s PRO 81 N -0.91 2.59 -0.55 0.00 0.04 -1.26 -4.77 135.00 130.13 2d87 s PRO 81 Ca 0.41 0.12 -0.34 0.00 0.04 0.00 0.00 61.00 61.23 2d87 s PRO 81 Cb -0.25 -4.75 -0.15 0.00 0.04 0.00 0.00 34.50 29.39 2d87 s PRO 81 CO 0.30 -3.08 2.34 1.04 0.04 0.00 0.00 177.00 177.64 2d87 n GLN 82 N 9.01 0.63 -0.04 4.56 6.02 -1.26 -4.81 117.38 131.48 2d87 n GLN 82 Ca 0.31 0.12 -0.03 0.00 -0.01 0.00 0.00 57.00 57.39 2d87 n GLN 82 Cb 0.49 -2.22 -0.01 0.00 1.02 0.00 0.00 30.24 29.52 2d87 n GLN 82 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2d87 n LEU 83 N 10.56 1.08 -4.62 1.08 4.77 -1.26 -4.96 117.00 123.65 2d87 n LEU 83 Ca 0.49 0.44 -0.35 0.00 -0.03 0.00 0.00 56.01 56.56 2d87 n LEU 83 Cb 0.18 -0.71 0.09 0.00 -2.33 0.00 0.00 43.42 40.66 2d87 n LEU 83 CO 0.82 -0.47 0.55 0.18 -1.33 0.00 0.00 177.39 177.13 2d87 n LEU 84 N -3.66 3.54 -4.07 2.23 4.77 -1.26 -4.97 117.00 113.58 2d87 n LEU 84 Ca -0.05 0.65 -0.35 0.00 -0.03 0.00 0.00 56.01 56.23 2d87 n LEU 84 Cb 0.18 -1.41 -0.11 0.00 -2.33 0.00 0.00 43.42 39.75 2d87 n LEU 84 CO 0.07 -2.03 -0.04 -0.62 -1.33 0.00 0.00 177.39 173.45 2d87 s ASP 85 N -1.69 5.07 0.21 -1.43 2.15 -1.26 -4.97 116.67 114.75 2d87 s ASP 85 Ca 0.73 -2.75 -0.10 0.00 0.43 0.00 0.00 52.55 50.86 2d87 s ASP 85 Cb -0.34 -1.81 0.29 0.00 -0.30 0.00 0.00 42.92 40.77 2d87 s ASP 85 CO 0.51 -0.37 1.26 0.41 -0.17 0.00 0.00 175.17 176.81 2d87 n THR 86 N 3.59 -0.38 -0.26 1.71 -1.04 -1.26 0.12 114.28 116.76 2d87 n THR 86 Ca 0.06 1.87 0.04 0.00 -2.04 0.00 0.00 64.05 63.98 2d87 n THR 86 Cb 0.37 -2.54 0.14 0.00 -1.82 0.00 0.00 70.33 66.48 2d87 n THR 86 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2d87 h GLU 87 N 0.00 0.06 0.01 -2.82 5.08 -2.01 0.27 114.58 115.17 2d87 h GLU 87 Ca 0.34 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.50 2d87 h GLU 87 Cb 0.54 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2d87 h GLU 87 CO -0.82 0.04 -0.92 -0.44 -1.00 0.00 0.00 179.01 175.88 2d87 h ASP 88 N 0.07 0.08 -0.24 1.42 5.19 0.44 -3.29 116.42 120.07 2d87 h ASP 88 Ca 0.39 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.73 2d87 h ASP 88 Cb 0.67 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 2d87 h ASP 88 CO -0.70 0.95 0.14 0.24 -3.12 0.00 0.00 179.24 176.75 2d87 h MET 89 N 0.02 0.33 0.17 3.56 2.86 0.28 0.33 114.93 122.48 2d87 h MET 89 Ca -0.02 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2d87 h MET 89 Cb 1.60 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 33.16 2d87 h MET 89 CO 0.13 0.28 -0.34 0.28 1.06 0.00 0.00 176.91 178.32 2d87 h VAL 90 N 0.29 0.00 -0.62 -2.22 2.07 -0.74 -2.69 116.25 112.33 2d87 h VAL 90 Ca 0.09 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.67 2d87 h VAL 90 Cb 0.04 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.75 2d87 h VAL 90 CO -0.02 0.00 0.31 0.08 0.02 0.00 0.00 177.57 177.97 2d87 h ARG 91 N -0.55 0.56 -6.19 1.57 0.11 -1.63 -3.40 114.38 104.84 2d87 h ARG 91 Ca -0.02 -0.03 -0.56 0.00 0.10 0.00 0.00 59.98 59.47 2d87 h ARG 91 Cb 0.52 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.48 2d87 h ARG 91 CO -0.13 0.37 1.32 -0.51 0.10 0.00 0.00 179.97 181.11 2d87 s LEU 92 N -10.30 3.92 0.40 0.08 1.43 0.10 -4.83 118.68 109.49 2d87 s LEU 92 Ca -0.13 2.13 0.26 0.00 -1.03 0.00 0.00 54.13 55.36 2d87 s LEU 92 Cb 0.16 -3.52 1.41 0.00 0.03 0.00 0.00 46.19 44.26 2d87 s LEU 92 CO 0.75 -1.47 1.58 -0.09 0.23 0.00 0.00 176.35 177.36 2d87 h ARG 93 N 12.43 0.01 -1.92 1.70 2.43 -1.79 -3.41 114.38 123.83 2d87 h ARG 93 Ca -0.43 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.71 2d87 h ARG 93 Cb 1.22 -0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 30.56 2d87 h ARG 93 CO 0.96 0.01 0.23 -1.83 -1.51 0.00 0.00 179.97 177.83 2d87 s GLU 94 N -5.42 0.89 0.57 0.20 -1.05 -1.26 -4.94 118.70 107.69 2d87 s GLU 94 Ca -0.08 0.53 -0.18 0.00 -0.15 0.00 0.00 54.97 55.08 2d87 s GLU 94 Cb 0.33 0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 34.40 2d87 s GLU 94 CO 0.80 -0.21 1.12 -1.25 0.95 0.00 0.00 175.26 176.67 2d87 s PRO 95 N -0.53 3.21 -0.26 -4.83 0.04 -1.19 -4.99 135.00 126.45 2d87 s PRO 95 Ca -0.05 1.56 -0.26 0.00 0.04 0.00 0.00 61.00 62.28 2d87 s PRO 95 Cb -0.02 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2d87 s PRO 95 CO 0.05 -0.95 0.92 -0.51 0.04 0.00 0.00 177.00 176.54 2d87 s ASP 96 N -1.98 6.89 0.31 6.66 1.11 -1.26 -4.55 116.67 123.85 2d87 s ASP 96 Ca 0.71 1.07 0.02 0.00 0.18 0.00 0.00 52.55 54.53 2d87 s ASP 96 Cb -0.23 -2.48 0.77 0.00 1.07 0.00 0.00 42.92 42.06 2d87 s ASP 96 CO 0.31 -0.63 1.58 4.11 1.18 0.00 0.00 175.17 181.71 2d87 h TRP 97 N 7.75 0.02 -0.99 4.23 5.08 -1.86 0.64 115.95 130.83 2d87 h TRP 97 Ca -0.22 0.07 0.36 0.00 1.08 0.00 0.00 58.89 60.18 2d87 h TRP 97 Cb 1.08 0.15 -0.17 0.00 -3.00 0.00 0.00 29.16 27.22 2d87 h TRP 97 CO 0.77 -0.42 0.47 0.87 -1.28 0.00 0.00 178.44 178.85 2d87 h LYS 98 N 0.02 0.12 0.00 0.12 1.57 -1.91 0.11 116.57 116.60 2d87 h LYS 98 Ca 0.60 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 2d87 h LYS 98 Cb 1.26 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2d87 h LYS 98 CO -0.89 0.08 -0.13 0.00 -0.57 0.00 0.00 179.45 177.94 2d87 n VAL 100 N -3.76 -0.59 -0.34 0.00 0.31 -0.86 0.13 118.33 113.21 2d87 n VAL 100 Ca -0.02 2.15 0.20 0.00 -0.01 0.00 0.00 64.34 66.66 2d87 n VAL 100 Cb 0.07 -2.66 0.42 0.00 -0.91 0.00 0.00 33.84 30.76 2d87 n VAL 100 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 2d87 h TYR 101 N 0.00 0.97 -0.32 3.52 5.03 -0.99 0.16 116.97 125.34 2d87 h TYR 101 Ca 0.14 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.48 2d87 h TYR 101 Cb 0.36 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.35 2d87 h TYR 101 CO -0.92 -0.04 0.19 1.15 -1.32 0.00 0.00 178.16 177.22 2d87 h THR 102 N 0.47 1.12 -0.71 1.81 2.02 0.95 -2.21 112.91 116.36 2d87 h THR 102 Ca 0.68 -0.28 0.07 0.00 0.77 0.00 0.00 66.41 67.66 2d87 h THR 102 Cb 1.40 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 68.47 2d87 h THR 102 CO -0.53 0.11 0.39 0.22 0.37 0.00 0.00 175.52 176.08 2d87 h TYR 103 N 0.41 0.70 0.19 3.16 3.20 0.09 0.26 116.97 124.98 2d87 h TYR 103 Ca 0.11 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2d87 h TYR 103 Cb 0.02 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.08 2d87 h TYR 103 CO -0.04 0.31 -0.09 0.82 -1.64 0.00 0.00 178.16 177.52 2d87 h ILE 104 N 0.69 0.82 -0.75 1.81 1.08 -1.13 0.32 117.51 120.34 2d87 h ILE 104 Ca 0.33 -0.02 -0.04 0.00 -0.39 0.00 0.00 64.86 64.74 2d87 h ILE 104 Cb 0.26 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 2d87 h ILE 104 CO -0.22 0.00 0.33 -0.61 -0.69 0.00 0.00 178.15 176.96 2d87 h GLN 105 N -0.26 1.11 -0.48 2.37 5.75 -0.98 0.24 115.11 122.86 2d87 h GLN 105 Ca -0.03 -0.19 -0.07 0.00 -0.15 0.00 0.00 58.65 58.22 2d87 h GLN 105 Cb 0.20 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 2d87 h GLN 105 CO 0.04 0.89 0.01 1.49 -2.65 0.00 0.00 178.83 178.61 2d87 h GLU 106 N 1.07 0.84 0.37 1.69 4.57 -0.29 -3.03 114.58 119.80 2d87 h GLU 106 Ca 0.25 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2d87 h GLU 106 Cb 0.17 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2d87 h GLU 106 CO -0.03 0.88 -0.18 0.35 -1.18 0.00 0.00 179.01 178.85 2d87 h PHE 107 N 0.69 -0.46 -1.67 0.92 3.57 -0.12 -3.16 116.94 116.70 2d87 h PHE 107 Ca 0.14 -0.01 0.53 0.00 3.53 0.00 0.00 57.97 62.15 2d87 h PHE 107 Cb 0.49 0.15 -0.11 0.00 2.79 0.00 0.00 35.95 39.27 2d87 h PHE 107 CO 0.04 -0.16 1.15 -0.92 -2.23 0.00 0.00 178.31 176.19 2d87 h TYR 108 N -1.02 0.26 -0.52 0.41 5.03 -0.59 1.21 116.97 121.76 2d87 h TYR 108 Ca -0.05 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.26 2d87 h TYR 108 Cb 0.51 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.70 2d87 h TYR 108 CO 0.03 -0.15 0.29 -0.09 -1.32 0.00 0.00 178.16 176.92 2d87 h ARG 109 N 0.00 0.73 -0.83 1.82 2.43 -1.49 -2.23 114.38 114.81 2d87 h ARG 109 Ca 0.91 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.97 2d87 h ARG 109 Cb 3.30 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 32.67 2d87 h ARG 109 CO -0.25 0.56 0.41 0.00 -1.51 0.00 0.00 179.97 179.19 2d87 h LEU 111 N 1.17 -0.96 -0.86 0.00 3.38 -1.24 0.45 115.31 117.26 2d87 h LEU 111 Ca 0.29 0.04 0.20 0.00 0.09 0.00 0.00 57.88 58.50 2d87 h LEU 111 Cb 0.10 0.26 -0.16 0.00 0.09 0.00 0.00 40.66 40.95 2d87 h LEU 111 CO -0.04 -0.65 -0.06 0.58 0.09 0.00 0.00 178.44 178.36 2d87 h VAL 112 N -1.06 0.19 -0.15 1.22 2.07 -1.35 0.35 116.25 117.52 2d87 h VAL 112 Ca -0.10 -0.02 -0.20 0.00 0.82 0.00 0.00 66.70 67.20 2d87 h VAL 112 Cb 0.83 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2d87 h VAL 112 CO 0.15 0.01 -0.70 1.56 0.02 0.00 0.00 177.57 178.60 2d87 h GLN 113 N 0.05 0.64 -0.73 1.57 1.08 -1.34 -3.15 115.11 113.24 2d87 h GLN 113 Ca 0.47 -0.49 0.05 0.00 -1.45 0.00 0.00 58.65 57.23 2d87 h GLN 113 Cb 0.83 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 28.31 2d87 h GLN 113 CO -0.81 1.11 0.48 0.87 -0.95 0.00 0.00 178.83 179.53 2d87 h LYS 114 N 0.45 0.79 0.00 1.46 1.79 0.37 -3.46 116.57 117.96 2d87 h LYS 114 Ca -0.03 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2d87 h LYS 114 Cb 1.30 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2d87 h LYS 114 CO 0.14 0.52 0.00 0.41 -1.08 0.00 0.00 179.45 179.44 2d87 n GLY 115 N -1.44 1.84 0.13 3.86 0.00 0.30 -5.04 105.19 104.84 2d87 n GLY 115 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2d87 n GLY 115 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d87 n LEU 116 N 0.00 2.62 -4.34 0.99 4.77 -1.10 -4.89 117.00 115.05 2d87 n LEU 116 Ca 0.00 0.03 -0.37 0.00 -0.03 0.00 0.00 56.01 55.64 2d87 n LEU 116 Cb 0.00 -0.88 -0.13 0.00 -2.33 0.00 0.00 43.42 40.08 2d87 n LEU 116 CO 0.00 0.81 -0.28 -0.69 -1.33 0.00 0.00 177.39 175.90 2d87 s VAL 117 N -2.52 3.92 0.75 4.08 1.01 -1.26 -5.03 120.40 121.35 2d87 s VAL 117 Ca -0.36 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 60.73 2d87 s VAL 117 Cb 0.11 -3.03 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 2d87 s VAL 117 CO 0.57 0.08 0.06 0.29 0.00 0.00 0.00 175.10 176.10 2d87 n LYS 118 N 4.86 0.11 -1.63 2.72 5.02 -1.26 -4.60 118.16 123.38 2d87 n LYS 118 Ca -0.15 0.06 -0.48 0.00 -2.02 0.00 0.00 58.31 55.72 2d87 n LYS 118 Cb 0.48 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 34.00 2d87 n LYS 118 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2d87 n THR 119 N -2.28 0.15 -3.04 -0.18 -1.04 -1.26 -4.93 114.28 101.69 2d87 n THR 119 Ca 0.07 -0.04 -0.40 0.00 -2.04 0.00 0.00 64.05 61.64 2d87 n THR 119 Cb 0.51 -1.22 -0.05 0.00 -1.82 0.00 0.00 70.33 67.75 2d87 n THR 119 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2d87 s LYS 120 N 0.54 4.44 0.06 -2.82 2.47 -1.26 -5.00 119.74 118.17 2d87 s LYS 120 Ca 0.79 0.95 -0.36 0.00 -1.56 0.00 0.00 55.97 55.80 2d87 s LYS 120 Cb -0.79 -3.38 -0.20 0.00 -1.46 0.00 0.00 37.83 32.00 2d87 s LYS 120 CO 0.43 0.24 1.52 0.87 0.16 0.00 0.00 175.35 178.58 2d87 h LYS 121 N 5.95 -1.24 -6.51 4.03 1.79 -2.03 -3.45 116.57 115.10 2d87 h LYS 121 Ca -0.43 0.08 -0.45 0.00 -2.18 0.00 0.00 60.65 57.67 2d87 h LYS 121 Cb 1.20 0.28 -0.15 0.00 -1.58 0.00 0.00 32.23 31.98 2d87 h LYS 121 CO 0.72 -0.82 -0.70 -1.13 -1.08 0.00 0.00 179.45 176.44 2d87 n SER 122 N -5.47 0.64 -0.04 0.86 3.41 -1.26 -4.81 113.62 106.95 2d87 n SER 122 Ca -0.16 -0.92 -0.14 0.00 -0.26 0.00 0.00 58.87 57.39 2d87 n SER 122 Cb 0.51 -1.14 -0.12 0.00 -0.26 0.00 0.00 64.21 63.19 2d87 n SER 122 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2d87 h SER 123 N -1.01 0.04 -2.44 4.04 4.64 -2.04 -3.38 113.55 113.40 2d87 h SER 123 Ca -0.48 -0.81 -0.68 0.00 -0.47 0.00 0.00 61.79 59.35 2d87 h SER 123 Cb 1.01 -0.01 -0.36 0.00 -0.31 0.00 0.00 62.40 62.72 2d87 h SER 123 CO 0.51 0.85 -0.03 0.61 -0.87 0.00 0.00 176.83 177.90 2d87 n GLY 124 N 1.11 5.11 3.74 -0.77 0.00 -1.26 -5.07 105.19 108.06 2d87 n GLY 124 Ca -0.10 -2.73 -0.30 0.00 0.00 0.00 0.00 46.02 42.89 2d87 n GLY 124 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d87 s PRO 125 N -2.82 1.77 0.21 1.61 0.04 -1.26 -5.02 135.00 129.53 2d87 s PRO 125 Ca 0.38 1.00 -0.27 0.00 0.04 0.00 0.00 61.00 62.15 2d87 s PRO 125 Cb 0.13 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.73 2d87 s PRO 125 CO 0.01 -1.94 0.84 -1.12 0.04 0.00 0.00 177.00 174.83 2d87 s SER 126 N -3.41 7.45 -0.17 6.66 0.01 -1.26 -5.05 113.70 117.93 2d87 s SER 126 Ca 0.62 1.75 -0.12 0.00 1.31 0.00 0.00 55.95 59.51 2d87 s SER 126 Cb -0.18 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 2d87 s SER 126 CO 0.56 0.16 0.23 -0.94 0.41 0.00 0.00 173.24 173.66 2d87 s SER 127 N -1.23 6.36 0.00 2.44 1.04 -1.26 -4.96 113.70 116.09 2d87 s SER 127 Ca 0.39 0.41 0.00 0.00 0.48 0.00 0.00 55.95 57.23 2d87 s SER 127 Cb -0.23 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2d87 s SER 127 CO 0.28 0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.25