#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d87 n SER 2 N 0.00 4.38 -3.68 1.61 3.41 -1.26 -5.01 113.62 113.08 2d87 n SER 2 Ca 0.00 -3.49 -0.10 0.00 -0.26 0.00 0.00 58.87 55.02 2d87 n SER 2 Cb 0.00 -0.38 -0.09 0.00 -0.26 0.00 0.00 64.21 63.48 2d87 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2d87 s SER 3 N -3.61 -0.66 -0.30 4.04 0.15 -1.26 -5.15 113.70 106.91 2d87 s SER 3 Ca 0.47 1.11 -0.17 0.00 0.70 0.00 0.00 55.95 58.06 2d87 s SER 3 Cb 0.40 1.00 0.21 0.00 -1.71 0.00 0.00 66.02 65.91 2d87 s SER 3 CO 0.00 -0.21 1.27 -0.83 1.20 0.00 0.00 173.24 174.68 2d87 s GLY 4 N 1.37 0.51 -0.46 9.45 0.00 -1.26 -5.04 107.32 111.88 2d87 s GLY 4 Ca -0.09 3.78 0.03 0.00 0.00 0.00 0.00 44.72 48.44 2d87 s GLY 4 CO -0.14 2.99 1.58 -1.14 0.00 0.00 0.00 173.10 176.40 2d87 n SER 5 N 3.61 6.20 -0.17 1.64 3.41 -1.26 -4.80 113.62 122.26 2d87 n SER 5 Ca -0.13 -3.77 -0.05 0.00 -0.26 0.00 0.00 58.87 54.66 2d87 n SER 5 Cb 0.56 -0.63 0.02 0.00 -0.26 0.00 0.00 64.21 63.89 2d87 n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2d87 h SER 6 N 2.09 -0.92 -1.75 4.04 0.87 -2.07 -3.48 113.55 112.33 2d87 h SER 6 Ca 0.48 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 61.24 2d87 h SER 6 Cb 1.21 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 63.64 2d87 h SER 6 CO 1.14 -0.28 0.00 0.61 -0.53 0.00 0.00 176.83 177.78 2d87 n GLY 7 N -1.42 -0.79 0.28 5.77 0.00 -1.26 -4.59 105.19 103.18 2d87 n GLY 7 Ca 0.04 -1.13 0.15 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 0.41 -0.04 -0.61 1.08 -2.00 -2.10 117.51 114.24 2d87 h ILE 8 Ca 0.00 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 2d87 h ILE 8 Cb 0.00 1.26 -0.00 0.00 -3.07 0.00 0.00 36.82 35.01 2d87 h ILE 8 CO 0.00 0.07 -0.02 0.50 -0.69 0.00 0.00 178.15 178.01 2d87 h LYS 9 N 0.00 0.06 0.00 2.37 3.64 -1.99 -2.22 116.57 118.43 2d87 h LYS 9 Ca -0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2d87 h LYS 9 Cb 0.26 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2d87 h LYS 9 CO 0.01 0.08 -0.00 1.96 -2.27 0.00 0.00 179.45 179.23 2d87 h GLN 10 N 0.06 -0.00 -1.17 1.90 1.08 -1.63 -3.17 115.11 112.18 2d87 h GLN 10 Ca 0.01 0.00 0.37 0.00 -1.45 0.00 0.00 58.65 57.58 2d87 h GLN 10 Cb 0.07 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.38 2d87 h GLN 10 CO 0.00 0.05 0.74 0.00 -0.95 0.00 0.00 178.83 178.67 2d87 h MET 11 N -1.00 0.20 0.49 1.46 -0.00 -1.53 -1.14 114.93 113.40 2d87 h MET 11 Ca -0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.70 59.66 2d87 h MET 11 Cb 0.06 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 31.61 2d87 h MET 11 CO 0.00 0.13 -0.23 -0.07 -0.00 0.00 0.00 176.91 176.74 2d87 h LEU 12 N 0.21 -0.55 -0.97 -0.10 3.38 -1.51 -2.44 115.31 113.31 2d87 h LEU 12 Ca 0.74 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.91 2d87 h LEU 12 Cb 2.11 0.14 -0.17 0.00 0.09 0.00 0.00 40.66 42.83 2d87 h LEU 12 CO -0.43 -0.33 -0.31 0.25 0.09 0.00 0.00 178.44 177.71 2d87 h LEU 13 N -0.80 -1.16 -0.82 1.67 5.85 -1.19 0.90 115.31 119.75 2d87 h LEU 13 Ca -0.07 0.30 0.10 0.00 0.84 0.00 0.00 57.88 59.05 2d87 h LEU 13 Cb 0.50 0.67 -0.07 0.00 0.37 0.00 0.00 40.66 42.13 2d87 h LEU 13 CO 0.11 -0.31 0.47 -0.78 -0.34 0.00 0.00 178.44 177.59 2d87 h ASP 14 N -0.01 0.67 0.35 1.25 1.82 -1.44 -1.75 116.42 117.32 2d87 h ASP 14 Ca 0.41 0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 57.08 2d87 h ASP 14 Cb 0.66 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.59 2d87 h ASP 14 CO -0.99 0.38 -0.17 -0.25 -1.61 0.00 0.00 179.24 176.60 2d87 h TRP 15 N 0.78 -0.44 -0.92 0.28 7.01 0.11 -2.75 115.95 120.02 2d87 h TRP 15 Ca 0.40 -0.01 0.26 0.00 2.11 0.00 0.00 58.89 61.65 2d87 h TRP 15 Cb 0.37 0.14 -0.14 0.00 -2.10 0.00 0.00 29.16 27.43 2d87 h TRP 15 CO -0.06 -0.10 0.34 0.00 -2.79 0.00 0.00 178.44 175.82 2d87 h ARG 17 N 0.24 -0.06 -0.63 0.00 3.08 -1.30 0.22 114.38 115.94 2d87 h ARG 17 Ca 0.61 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.79 2d87 h ARG 17 Cb 1.29 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 31.24 2d87 h ARG 17 CO -0.65 0.06 -0.10 0.00 -1.07 0.00 0.00 179.97 178.22 2d87 h ALA 18 N 0.77 0.49 -0.19 0.04 0.00 -0.52 -0.27 119.26 119.58 2d87 h ALA 18 Ca -0.01 0.23 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 2d87 h ALA 18 Cb 0.15 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2d87 h ALA 18 CO 0.01 -0.42 -0.40 0.87 0.00 0.00 0.00 179.25 179.31 2d87 h LYS 19 N 0.04 0.61 -1.32 0.00 1.79 -1.28 -3.12 116.57 113.29 2d87 h LYS 19 Ca 0.31 -0.40 -0.11 0.00 -2.18 0.00 0.00 60.65 58.27 2d87 h LYS 19 Cb 0.49 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.14 2d87 h LYS 19 CO -0.61 1.01 0.14 2.41 -1.08 0.00 0.00 179.45 181.33 2d87 n THR 20 N -4.25 1.78 -2.86 -0.16 -1.04 0.77 -4.89 114.28 103.64 2d87 n THR 20 Ca -0.06 -0.61 -0.35 0.00 -2.04 0.00 0.00 64.05 60.99 2d87 n THR 20 Cb 0.53 -1.11 -0.07 0.00 -1.82 0.00 0.00 70.33 67.86 2d87 n THR 20 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2d87 s ARG 21 N -0.67 4.40 0.00 -2.82 0.52 -0.23 -3.81 118.95 116.34 2d87 s ARG 21 Ca 0.11 1.16 0.00 0.00 -0.52 0.00 0.00 55.73 56.49 2d87 s ARG 21 Cb 0.09 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.96 2d87 s ARG 21 CO 0.01 0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.94 2d87 n GLY 22 N 0.16 1.78 3.54 -3.53 0.00 -1.26 -4.97 105.19 100.92 2d87 n GLY 22 Ca 0.03 -0.23 -0.56 0.00 0.00 0.00 0.00 46.02 45.26 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 1.73 -1.38 1.61 4.01 -1.25 -4.91 117.16 116.97 2d87 n TYR 23 Ca 0.00 0.51 -0.29 0.00 -0.16 0.00 0.00 57.90 57.96 2d87 n TYR 23 Cb 0.00 -2.45 0.13 0.00 -0.31 0.00 0.00 39.34 36.71 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 4.90 1.33 -0.71 -0.72 2.12 -1.26 -3.40 118.70 120.96 2d87 s GLU 24 Ca 1.06 0.59 0.00 0.00 0.36 0.00 0.00 54.97 56.98 2d87 s GLU 24 Cb -1.09 -1.84 0.00 0.00 0.26 0.00 0.00 34.13 31.46 2d87 s GLU 24 CO 0.61 -2.13 0.00 -2.39 -0.54 0.00 0.00 175.26 170.81 2d87 n HIS 25 N -3.77 -1.15 -4.40 5.30 1.44 -1.26 -4.89 115.22 106.48 2d87 n HIS 25 Ca 0.07 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.56 2d87 n HIS 25 Cb 0.57 -1.97 -0.16 0.00 0.12 0.00 0.00 29.99 28.55 2d87 n HIS 25 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2d87 s VAL 26 N -2.00 0.83 -0.28 0.61 1.01 -1.22 -4.92 120.40 114.43 2d87 s VAL 26 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 2d87 s VAL 26 Cb 0.00 -0.77 0.17 0.00 0.00 0.00 0.00 36.38 35.78 2d87 s VAL 26 CO 0.00 0.27 0.51 1.51 0.00 0.00 0.00 175.10 177.39 2d87 s ASP 27 N 0.48 -0.73 -0.78 3.32 -4.77 -1.26 -4.93 116.67 108.01 2d87 s ASP 27 Ca -0.08 0.47 -0.19 0.00 -3.30 0.00 0.00 52.55 49.45 2d87 s ASP 27 Cb -0.12 1.72 0.12 0.00 -1.09 0.00 0.00 42.92 43.54 2d87 s ASP 27 CO 0.01 -0.29 0.96 -0.63 0.70 0.00 0.00 175.17 175.93 2d87 s ILE 28 N 2.73 4.70 -0.23 2.11 1.01 -1.26 -4.79 121.20 125.47 2d87 s ILE 28 Ca 0.16 -1.19 0.05 0.00 0.00 0.00 0.00 60.65 59.67 2d87 s ILE 28 Cb -0.14 -4.67 -0.17 0.00 0.01 0.00 0.00 42.46 37.49 2d87 s ILE 28 CO -0.21 -1.38 -0.16 1.67 0.00 0.00 0.00 174.94 174.86 2d87 n GLN 29 N 6.62 0.66 -3.75 2.79 7.27 -1.26 -4.91 117.38 124.81 2d87 n GLN 29 Ca 0.08 0.11 -0.11 0.00 0.07 0.00 0.00 57.00 57.16 2d87 n GLN 29 Cb 0.46 -1.49 -0.07 0.00 2.41 0.00 0.00 30.24 31.56 2d87 n GLN 29 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2d87 s ASN 30 N -6.18 -0.10 -0.50 1.69 6.03 -1.26 -5.05 114.94 109.57 2d87 s ASN 30 Ca -0.29 -0.32 -0.03 0.00 -1.03 0.00 0.00 52.86 51.19 2d87 s ASN 30 Cb 0.08 0.38 0.14 0.00 -3.03 0.00 0.00 41.25 38.82 2d87 s ASN 30 CO 0.60 -0.70 2.54 0.49 -2.03 0.00 0.00 177.10 178.00 2d87 n PHE 31 N 0.24 1.86 0.01 1.54 3.01 -1.26 -3.63 117.46 119.23 2d87 n PHE 31 Ca -0.17 -2.05 0.00 0.00 1.01 0.00 0.00 57.45 56.24 2d87 n PHE 31 Cb 0.61 -1.30 0.00 0.00 -0.01 0.00 0.00 39.48 38.78 2d87 n PHE 31 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2d87 n SER 32 N 0.52 0.11 -0.50 4.37 2.88 -1.26 -3.32 113.62 116.42 2d87 n SER 32 Ca 0.48 0.02 0.06 0.00 -1.33 0.00 0.00 58.87 58.10 2d87 n SER 32 Cb 0.51 -0.03 0.12 0.00 -0.75 0.00 0.00 64.21 64.07 2d87 n SER 32 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d87 n SER 33 N -2.61 1.60 0.01 -3.46 7.64 -1.26 -3.54 113.62 111.99 2d87 n SER 33 Ca 0.00 -3.04 -0.15 0.00 1.01 0.00 0.00 58.87 56.69 2d87 n SER 33 Cb 0.00 -0.41 -0.14 0.00 -1.01 0.00 0.00 64.21 62.65 2d87 n SER 33 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2d87 h SER 34 N 0.45 0.23 0.40 6.43 0.87 -1.91 -3.37 113.55 116.65 2d87 h SER 34 Ca -0.03 -0.43 -0.18 0.00 -1.23 0.00 0.00 61.79 59.92 2d87 h SER 34 Cb 1.18 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 63.03 2d87 h SER 34 CO 0.01 1.38 -1.75 0.79 -0.53 0.00 0.00 176.83 176.73 2d87 n TRP 35 N -3.29 0.56 -0.45 2.24 7.02 -1.26 -4.29 117.44 117.96 2d87 n TRP 35 Ca -0.21 0.18 0.36 0.00 -1.02 0.00 0.00 57.50 56.81 2d87 n TRP 35 Cb 1.04 -0.95 0.57 0.00 -2.42 0.00 0.00 31.31 29.56 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 -2.73 0.09 0.26 -0.99 3.41 -1.26 0.33 113.62 112.73 2d87 n SER 36 Ca -0.14 0.92 -0.16 0.00 -0.26 0.00 0.00 58.87 59.24 2d87 n SER 36 Cb 0.86 -0.46 -0.09 0.00 -0.26 0.00 0.00 64.21 64.26 2d87 n SER 36 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2d87 h ASP 37 N 0.00 -1.21 0.00 4.04 1.82 -1.82 -3.48 116.42 115.76 2d87 h ASP 37 Ca 0.70 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 57.43 2d87 h ASP 37 Cb 2.52 0.40 0.00 0.00 0.68 0.00 0.00 39.33 42.93 2d87 h ASP 37 CO -0.20 -0.59 0.00 0.61 -1.61 0.00 0.00 179.24 177.46 2d87 n GLY 38 N -1.49 2.38 0.33 -0.78 0.00 0.15 -4.69 105.19 101.08 2d87 n GLY 38 Ca -0.11 -0.49 0.28 0.00 0.00 0.00 0.00 46.02 45.71 2d87 n GLY 38 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2d87 h MET 39 N 0.00 0.08 -0.95 1.61 2.86 -1.86 -0.16 114.93 116.52 2d87 h MET 39 Ca 0.00 -0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.74 2d87 h MET 39 Cb 0.00 -0.02 -0.13 0.00 0.06 0.00 0.00 31.60 31.51 2d87 h MET 39 CO 0.00 0.05 -0.50 0.00 1.06 0.00 0.00 176.91 177.53 2d87 n ALA 40 N -2.36 -0.44 -0.15 6.32 0.00 -1.26 0.12 120.51 122.74 2d87 n ALA 40 Ca 0.35 0.85 -0.06 0.00 0.00 0.00 0.00 53.44 54.58 2d87 n ALA 40 Cb 1.15 -0.23 0.03 0.00 0.00 0.00 0.00 19.45 20.41 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 0.49 0.43 0.00 0.04 -1.32 -2.34 116.94 114.25 2d87 h PHE 41 Ca 0.21 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.98 2d87 h PHE 41 Cb 0.45 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 2d87 h PHE 41 CO -0.93 0.27 -0.34 0.00 -0.60 0.00 0.00 178.31 176.71 2d87 h ALA 43 N -1.29 0.58 -0.43 0.00 0.00 -0.42 0.39 119.26 118.10 2d87 h ALA 43 Ca -0.06 0.33 0.07 0.00 0.00 0.00 0.00 54.91 55.25 2d87 h ALA 43 Cb 0.62 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 2d87 h ALA 43 CO 0.01 -0.40 0.05 1.25 0.00 0.00 0.00 179.25 180.15 2d87 h LEU 44 N 0.00 -0.08 0.62 0.00 5.85 -1.20 -2.01 115.31 118.49 2d87 h LEU 44 Ca 0.41 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 59.18 2d87 h LEU 44 Cb 0.63 0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.80 2d87 h LEU 44 CO -0.87 -0.01 -0.30 0.58 -0.34 0.00 0.00 178.44 177.51 2d87 h VAL 45 N 0.16 0.00 -0.87 1.05 2.07 0.29 -3.16 116.25 115.80 2d87 h VAL 45 Ca 0.21 -0.33 0.34 0.00 0.82 0.00 0.00 66.70 67.74 2d87 h VAL 45 Cb 0.28 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.90 2d87 h VAL 45 CO -0.31 0.00 0.38 1.57 0.02 0.00 0.00 177.57 179.23 2d87 n HIS 46 N -5.15 0.92 -0.20 1.57 -0.00 0.10 0.14 115.22 112.61 2d87 n HIS 46 Ca -0.10 1.03 0.01 0.00 -0.00 0.00 0.00 57.72 58.66 2d87 n HIS 46 Cb 0.33 -1.38 0.11 0.00 -0.00 0.00 0.00 29.99 29.05 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 -0.04 0.11 0.26 -1.24 -1.33 0.56 115.58 113.90 2d87 h ASN 47 Ca 0.69 0.12 -0.01 0.00 0.71 0.00 0.00 56.30 57.82 2d87 h ASN 47 Cb 1.78 0.17 0.00 0.00 0.73 0.00 0.00 38.32 41.00 2d87 h ASN 47 CO -0.70 -0.02 -0.05 -0.26 -1.29 0.00 0.00 177.43 175.11 2d87 h PHE 48 N 0.23 -0.14 -3.20 0.67 0.04 0.12 -3.41 116.94 111.26 2d87 h PHE 48 Ca 0.32 -0.00 -0.63 0.00 2.80 0.00 0.00 57.97 60.46 2d87 h PHE 48 Cb 0.49 0.05 -0.41 0.00 2.20 0.00 0.00 35.95 38.27 2d87 h PHE 48 CO -0.27 0.35 -0.64 -0.06 -0.60 0.00 0.00 178.31 177.10 2d87 s PHE 49 N -3.04 3.08 0.11 -0.55 0.08 -0.61 -4.94 117.98 112.11 2d87 s PHE 49 Ca -0.12 -3.11 -0.14 0.00 0.12 0.00 0.00 56.93 53.68 2d87 s PHE 49 Cb -0.00 -2.60 -0.07 0.00 -0.57 0.00 0.00 43.02 39.78 2d87 s PHE 49 CO 0.47 -0.69 1.44 -1.00 -0.10 0.00 0.00 175.22 175.34 2d87 h PRO 50 N 6.14 0.77 -0.53 0.24 0.13 -1.13 -3.19 132.00 134.43 2d87 h PRO 50 Ca 0.01 -0.40 -0.09 0.00 -0.87 0.00 0.00 66.00 64.65 2d87 h PRO 50 Cb 0.85 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 2d87 h PRO 50 CO 0.66 1.03 -0.03 1.05 -0.23 0.00 0.00 178.00 180.48 2d87 h GLU 51 N 0.54 0.92 -0.98 0.86 4.11 -1.92 -3.03 114.58 115.07 2d87 h GLU 51 Ca 0.05 -0.28 0.33 0.00 0.07 0.00 0.00 59.36 59.53 2d87 h GLU 51 Cb 0.88 -0.09 -0.18 0.00 0.50 0.00 0.00 28.75 29.87 2d87 h GLU 51 CO 0.08 0.93 0.28 0.00 0.07 0.00 0.00 179.01 180.36 2d87 h ALA 52 N 1.12 1.61 -2.65 1.06 0.00 -1.94 -3.42 119.26 115.04 2d87 h ALA 52 Ca 0.15 0.30 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 2d87 h ALA 52 Cb 0.54 0.44 -0.15 0.00 0.00 0.00 0.00 17.79 18.63 2d87 h ALA 52 CO 0.03 -0.71 0.02 -0.59 0.00 0.00 0.00 179.25 178.00 2d87 s PHE 53 N -5.79 -0.37 0.22 0.00 -0.71 -1.14 -5.02 117.98 105.17 2d87 s PHE 53 Ca -0.11 0.27 -0.18 0.00 -1.04 0.00 0.00 56.93 55.87 2d87 s PHE 53 Cb 0.31 0.34 -0.08 0.00 -1.21 0.00 0.00 43.02 42.38 2d87 s PHE 53 CO 0.78 -0.68 0.70 -0.51 -1.34 0.00 0.00 175.22 174.17 2d87 s ASP 54 N -2.32 6.99 -0.08 1.98 1.11 -1.26 -4.74 116.67 118.35 2d87 s ASP 54 Ca -0.02 1.35 -0.06 0.00 0.18 0.00 0.00 52.55 54.00 2d87 s ASP 54 Cb -0.00 -2.39 -0.02 0.00 1.07 0.00 0.00 42.92 41.58 2d87 s ASP 54 CO -0.06 0.01 -0.11 0.00 1.18 0.00 0.00 175.17 176.19 2d87 n TYR 55 N 0.59 0.45 0.32 4.23 9.36 -1.26 -4.19 117.16 126.65 2d87 n TYR 55 Ca -0.02 0.19 0.15 0.00 3.32 0.00 0.00 57.90 61.54 2d87 n TYR 55 Cb 0.51 -0.50 0.79 0.00 -0.63 0.00 0.00 39.34 39.51 2d87 n TYR 55 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2d87 h GLY 56 N -0.56 0.00 1.62 2.98 0.00 -2.02 0.13 103.07 105.22 2d87 h GLY 56 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 2d87 h GLY 56 CO 0.00 0.00 -0.43 1.46 0.00 0.00 0.00 176.54 177.57 2d87 h GLN 57 N 0.00 0.42 -7.50 4.80 1.08 -1.99 -3.44 115.11 108.48 2d87 h GLN 57 Ca 0.00 -0.22 -0.47 0.00 -1.45 0.00 0.00 58.65 56.51 2d87 h GLN 57 Cb 0.61 0.01 0.11 0.00 -0.05 0.00 0.00 27.48 28.16 2d87 h GLN 57 CO 0.00 0.78 0.35 -0.51 -0.95 0.00 0.00 178.83 178.50 2d87 s LEU 58 N -8.37 2.40 0.11 1.46 1.43 0.45 -5.09 118.68 111.07 2d87 s LEU 58 Ca -0.06 1.04 0.05 0.00 -1.03 0.00 0.00 54.13 54.13 2d87 s LEU 58 Cb 0.13 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 2d87 s LEU 58 CO 0.80 -2.09 -0.13 -0.44 0.23 0.00 0.00 176.35 174.73 2d87 s SER 59 N -4.16 1.78 0.12 2.29 0.01 -1.26 -5.03 113.70 107.44 2d87 s SER 59 Ca 0.62 -0.80 -0.13 0.00 1.31 0.00 0.00 55.95 56.94 2d87 s SER 59 Cb -0.13 -0.04 -0.07 0.00 0.21 0.00 0.00 66.02 65.99 2d87 s SER 59 CO 0.52 -0.18 1.44 1.55 0.41 0.00 0.00 173.24 176.98 2d87 h PRO 60 N 3.57 0.80 -0.28 12.44 0.13 -1.98 -2.98 132.00 143.70 2d87 h PRO 60 Ca -0.39 -0.42 0.08 0.00 -0.87 0.00 0.00 66.00 64.40 2d87 h PRO 60 Cb 1.19 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2d87 h PRO 60 CO 0.51 1.05 0.42 1.96 -0.23 0.00 0.00 178.00 181.71 2d87 h GLN 61 N 0.57 0.00 -6.42 0.86 4.20 -1.97 -3.37 115.11 108.98 2d87 h GLN 61 Ca 0.05 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.22 2d87 h GLN 61 Cb 0.90 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.60 2d87 h GLN 61 CO 0.08 0.00 1.04 -0.80 -0.67 0.00 0.00 178.83 178.48 2d87 s ASN 62 N -4.98 6.24 0.14 1.46 0.01 -1.13 -4.85 114.94 111.83 2d87 s ASN 62 Ca -0.04 -0.24 0.06 0.00 -0.71 0.00 0.00 52.86 51.92 2d87 s ASN 62 Cb 0.13 -2.56 -0.13 0.00 0.41 0.00 0.00 41.25 39.10 2d87 s ASN 62 CO 0.45 -1.73 1.31 0.03 -1.51 0.00 0.00 177.10 175.66 2d87 h ARG 63 N 9.98 0.05 0.00 -0.60 3.08 -1.84 -3.24 114.38 121.81 2d87 h ARG 63 Ca -0.27 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.71 2d87 h ARG 63 Cb 1.05 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2d87 h ARG 63 CO 1.25 0.97 -0.04 0.00 -1.07 0.00 0.00 179.97 181.08 2d87 h ARG 64 N 0.02 0.00 -0.77 0.04 3.08 -1.92 -3.30 114.38 111.52 2d87 h ARG 64 Ca -0.03 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.14 2d87 h ARG 64 Cb 1.68 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.61 2d87 h ARG 64 CO 0.13 0.00 -0.31 0.94 -1.07 0.00 0.00 179.97 179.66 2d87 n GLN 65 N -2.75 -0.19 -0.22 0.04 -0.06 -1.26 0.14 117.38 113.08 2d87 n GLN 65 Ca -0.01 1.18 0.02 0.00 -2.00 0.00 0.00 57.00 56.19 2d87 n GLN 65 Cb 0.02 -1.75 0.11 0.00 -4.06 0.00 0.00 30.24 24.56 2d87 n GLN 65 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 2d87 h ASN 66 N 0.00 -0.31 0.23 1.69 2.35 -1.75 0.31 115.58 118.11 2d87 h ASN 66 Ca 0.26 0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 56.16 2d87 h ASN 66 Cb 0.45 0.29 0.00 0.00 0.05 0.00 0.00 38.32 39.11 2d87 h ASN 66 CO -0.76 -0.13 -0.11 -0.26 -1.65 0.00 0.00 177.43 174.52 2d87 h PHE 67 N 0.11 -0.29 0.00 1.19 -1.00 0.11 -2.96 116.94 114.10 2d87 h PHE 67 Ca 0.34 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.11 2d87 h PHE 67 Cb 0.56 0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.21 2d87 h PHE 67 CO -0.39 0.09 0.00 0.39 -1.61 0.00 0.00 178.31 176.79 2d87 n GLU 68 N -5.03 0.00 -0.33 1.51 1.02 0.95 -1.73 120.64 117.02 2d87 n GLU 68 Ca -0.09 0.67 -0.05 0.00 -0.02 0.00 0.00 57.16 57.68 2d87 n GLU 68 Cb 0.26 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 2d87 n GLU 68 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2d87 n VAL 69 N -2.31 -0.50 -0.20 2.62 0.31 0.10 0.55 118.33 118.91 2d87 n VAL 69 Ca 0.00 1.97 -0.02 0.00 -0.01 0.00 0.00 64.34 66.28 2d87 n VAL 69 Cb 0.00 -2.52 0.05 0.00 -0.91 0.00 0.00 33.84 30.45 2d87 n VAL 69 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2d87 h ALA 70 N 0.80 0.28 0.22 3.52 0.00 -1.33 0.55 119.26 123.31 2d87 h ALA 70 Ca 0.21 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 2d87 h ALA 70 Cb 0.42 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2d87 h ALA 70 CO -0.80 -0.49 -0.11 0.74 0.00 0.00 0.00 179.25 178.59 2d87 h PHE 71 N -0.05 -0.28 -0.44 0.00 0.04 0.97 -3.12 116.94 114.06 2d87 h PHE 71 Ca 0.28 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 61.09 2d87 h PHE 71 Cb 0.48 0.09 -0.07 0.00 2.20 0.00 0.00 35.95 38.65 2d87 h PHE 71 CO -0.53 -0.17 -0.46 0.77 -0.60 0.00 0.00 178.31 177.32 2d87 h SER 72 N -0.52 -1.58 -1.34 2.17 0.02 0.07 0.38 113.55 112.74 2d87 h SER 72 Ca -0.03 0.22 0.45 0.00 -0.84 0.00 0.00 61.79 61.59 2d87 h SER 72 Cb 0.23 0.66 -0.13 0.00 0.14 0.00 0.00 62.40 63.30 2d87 h SER 72 CO 0.05 -0.30 0.86 0.28 -1.14 0.00 0.00 176.83 176.59 2d87 h SER 73 N -0.25 0.23 0.07 3.07 0.02 -0.03 0.35 113.55 117.01 2d87 h SER 73 Ca 0.08 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2d87 h SER 73 Cb 0.45 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2d87 h SER 73 CO -0.55 -0.22 -0.03 0.00 -1.14 0.00 0.00 176.83 174.89 2d87 h ALA 74 N 1.61 -0.09 0.00 3.77 0.00 -0.24 -3.11 119.26 121.20 2d87 h ALA 74 Ca 0.85 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2d87 h ALA 74 Cb 2.68 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.51 2d87 h ALA 74 CO -0.45 -0.22 0.16 -1.91 0.00 0.00 0.00 179.25 176.84 2d87 n GLU 75 N -4.83 0.10 0.03 0.00 2.13 0.11 0.58 120.64 118.76 2d87 n GLU 75 Ca -0.08 0.59 -0.01 0.00 0.66 0.00 0.00 57.16 58.31 2d87 n GLU 75 Cb 0.30 -2.01 -0.01 0.00 0.27 0.00 0.00 31.44 29.99 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 -1.17 -2.85 112.91 117.23 2d87 h THR 76 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2d87 h THR 76 Cb 0.33 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2d87 h THR 76 CO 0.00 0.00 -0.49 0.00 0.37 0.00 0.00 175.52 175.40 2d87 n HIS 77 N -2.40 0.00 0.05 3.16 1.44 -1.11 -4.49 115.22 111.88 2d87 n HIS 77 Ca -0.01 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.80 2d87 n HIS 77 Cb 0.03 -0.01 -0.07 0.00 0.12 0.00 0.00 29.99 30.06 2d87 n HIS 77 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2d87 n ALA 78 N -1.25 2.53 -4.20 1.59 0.00 0.20 -4.98 120.51 114.40 2d87 n ALA 78 Ca 0.02 -0.39 -0.29 0.00 0.00 0.00 0.00 53.44 52.78 2d87 n ALA 78 Cb 0.15 -0.95 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 2d87 n ALA 78 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2d87 n ASP 79 N -2.56 0.52 -4.75 0.00 2.03 -1.06 -4.86 116.55 105.87 2d87 n ASP 79 Ca -0.03 -1.19 -0.40 0.00 0.52 0.00 0.00 54.79 53.69 2d87 n ASP 79 Cb 0.60 -2.08 -0.05 0.00 -0.72 0.00 0.00 41.12 38.87 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 -0.93 2.53 -0.67 0.00 0.04 -1.26 -4.74 135.00 129.96 2d87 s PRO 81 Ca 0.45 -0.56 -0.38 0.00 0.04 0.00 0.00 61.00 60.55 2d87 s PRO 81 Cb -0.29 -5.12 -0.19 0.00 0.04 0.00 0.00 34.50 28.94 2d87 s PRO 81 CO 0.36 -3.57 2.36 1.04 0.04 0.00 0.00 177.00 177.23 2d87 n GLN 82 N 8.68 0.12 -0.06 4.56 6.02 -1.26 -4.80 117.38 130.63 2d87 n GLN 82 Ca 0.42 0.02 -0.06 0.00 -0.01 0.00 0.00 57.00 57.37 2d87 n GLN 82 Cb 0.47 -1.63 -0.02 0.00 1.02 0.00 0.00 30.24 30.08 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 9.05 1.45 -4.55 1.08 4.77 -1.26 -4.98 117.00 122.55 2d87 n LEU 83 Ca 0.57 0.36 -0.34 0.00 -0.03 0.00 0.00 56.01 56.58 2d87 n LEU 83 Cb 0.02 -0.72 0.11 0.00 -2.33 0.00 0.00 43.42 40.50 2d87 n LEU 83 CO 0.89 -0.38 0.34 0.18 -1.33 0.00 0.00 177.39 177.09 2d87 n LEU 84 N -4.03 2.21 -4.04 2.23 4.77 -1.26 -4.96 117.00 111.92 2d87 n LEU 84 Ca -0.09 0.54 -0.33 0.00 -0.03 0.00 0.00 56.01 56.09 2d87 n LEU 84 Cb 0.32 -1.34 -0.09 0.00 -2.33 0.00 0.00 43.42 39.98 2d87 n LEU 84 CO 0.13 -2.59 0.14 -1.81 -1.33 0.00 0.00 177.39 171.93 2d87 s ASP 85 N -1.87 5.41 0.17 -1.43 1.01 -1.26 -4.96 116.67 113.74 2d87 s ASP 85 Ca 0.67 -3.55 -0.13 0.00 0.71 0.00 0.00 52.55 50.26 2d87 s ASP 85 Cb -0.29 -1.80 0.17 0.00 1.01 0.00 0.00 42.92 42.01 2d87 s ASP 85 CO 0.57 -0.19 1.12 0.41 0.21 0.00 0.00 175.17 177.28 2d87 n THR 86 N 2.50 -0.38 -0.30 -1.27 -1.04 -1.26 0.17 114.28 112.70 2d87 n THR 86 Ca 0.17 1.69 0.10 0.00 -2.04 0.00 0.00 64.05 63.97 2d87 n THR 86 Cb 0.36 -2.23 0.24 0.00 -1.82 0.00 0.00 70.33 66.88 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 0.10 0.00 -2.82 5.08 -2.01 0.72 114.58 115.66 2d87 h GLU 87 Ca 0.25 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.44 2d87 h GLU 87 Cb 0.43 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2d87 h GLU 87 CO -0.71 0.07 -0.77 0.22 -1.00 0.00 0.00 179.01 176.81 2d87 h ASP 88 N 0.10 0.00 -0.51 1.42 1.82 0.12 -3.26 116.42 116.12 2d87 h ASP 88 Ca 0.51 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 57.05 2d87 h ASP 88 Cb 1.00 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.99 2d87 h ASP 88 CO -0.75 0.77 -0.10 0.24 -1.61 0.00 0.00 179.24 177.79 2d87 h MET 89 N 0.00 0.99 0.42 0.28 2.86 0.30 -1.23 114.93 118.56 2d87 h MET 89 Ca -0.01 -0.35 -0.02 0.00 -2.06 0.00 0.00 59.70 57.26 2d87 h MET 89 Cb 1.50 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 33.09 2d87 h MET 89 CO 0.10 1.03 -0.26 0.28 1.06 0.00 0.00 176.91 179.11 2d87 h VAL 90 N 0.88 0.00 -0.60 -2.22 2.07 -0.50 -3.11 116.25 112.78 2d87 h VAL 90 Ca 0.14 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.72 2d87 h VAL 90 Cb 0.65 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2d87 h VAL 90 CO 0.05 0.00 0.31 0.08 0.02 0.00 0.00 177.57 178.02 2d87 h ARG 91 N -0.65 0.55 -6.24 1.57 0.11 -1.64 -3.41 114.38 104.68 2d87 h ARG 91 Ca -0.06 -0.03 -0.57 0.00 0.10 0.00 0.00 59.98 59.42 2d87 h ARG 91 Cb 0.52 -0.13 0.01 0.00 1.11 0.00 0.00 29.97 31.49 2d87 h ARG 91 CO 0.06 0.37 1.27 1.28 0.10 0.00 0.00 179.97 183.04 2d87 n LEU 92 N -4.86 3.72 -0.38 0.08 4.77 -0.46 -4.82 117.00 115.05 2d87 n LEU 92 Ca 0.07 0.75 0.32 0.00 -0.03 0.00 0.00 56.01 57.13 2d87 n LEU 92 Cb 0.18 -1.48 0.59 0.00 -2.33 0.00 0.00 43.42 40.37 2d87 n LEU 92 CO 0.28 -0.08 1.15 -0.09 -1.33 0.00 0.00 177.39 177.32 2d87 h ARG 93 N 11.27 0.12 -2.48 3.23 9.65 -1.82 -3.41 114.38 130.94 2d87 h ARG 93 Ca -0.47 -0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.32 2d87 h ARG 93 Cb 1.25 -0.03 -0.22 0.00 -1.39 0.00 0.00 29.97 29.59 2d87 h ARG 93 CO 0.95 0.08 -0.07 -1.83 2.80 0.00 0.00 179.97 181.89 2d87 s GLU 94 N -5.45 0.72 0.35 0.20 -1.05 -1.26 -4.97 118.70 107.23 2d87 s GLU 94 Ca -0.09 0.45 -0.28 0.00 -0.15 0.00 0.00 54.97 54.91 2d87 s GLU 94 Cb 0.31 0.34 -0.09 0.00 -0.44 0.00 0.00 34.13 34.25 2d87 s GLU 94 CO 0.80 -0.15 1.21 -1.25 0.95 0.00 0.00 175.26 176.82 2d87 s PRO 95 N -0.34 4.30 -0.17 -4.83 0.04 -1.23 -4.95 135.00 127.81 2d87 s PRO 95 Ca -0.05 1.99 -0.29 0.00 0.04 0.00 0.00 61.00 62.69 2d87 s PRO 95 Cb -0.03 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 2d87 s PRO 95 CO 0.03 -0.16 1.68 -0.51 0.04 0.00 0.00 177.00 178.09 2d87 s ASP 96 N -0.81 6.39 0.26 6.66 1.01 -1.26 -4.63 116.67 124.29 2d87 s ASP 96 Ca 0.51 1.82 -0.04 0.00 0.71 0.00 0.00 52.55 55.55 2d87 s ASP 96 Cb -0.35 -2.53 0.54 0.00 1.01 0.00 0.00 42.92 41.59 2d87 s ASP 96 CO 0.45 -1.22 1.63 4.11 0.21 0.00 0.00 175.17 180.35 2d87 h TRP 97 N 10.74 0.04 -0.83 4.23 5.08 -1.88 0.23 115.95 133.56 2d87 h TRP 97 Ca -0.36 0.06 0.21 0.00 1.08 0.00 0.00 58.89 59.88 2d87 h TRP 97 Cb 1.17 0.11 -0.14 0.00 -3.00 0.00 0.00 29.16 27.30 2d87 h TRP 97 CO 0.91 -0.26 0.15 0.87 -1.28 0.00 0.00 178.44 178.83 2d87 h LYS 98 N 0.12 0.17 0.28 0.12 1.57 -1.90 0.19 116.57 117.12 2d87 h LYS 98 Ca 0.47 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.23 2d87 h LYS 98 Cb 0.88 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2d87 h LYS 98 CO -0.70 0.11 -0.13 0.00 -0.57 0.00 0.00 179.45 178.16 2d87 h VAL 100 N -0.96 0.02 -0.94 0.00 2.07 -0.86 0.51 116.25 116.10 2d87 h VAL 100 Ca -0.04 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.71 2d87 h VAL 100 Cb 0.29 0.02 -0.12 0.00 -1.52 0.00 0.00 31.29 29.96 2d87 h VAL 100 CO 0.06 0.00 0.48 0.22 0.02 0.00 0.00 177.57 178.35 2d87 h TYR 101 N -0.08 0.80 0.90 1.57 5.03 -0.77 -1.79 116.97 122.63 2d87 h TYR 101 Ca 0.23 0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.53 2d87 h TYR 101 Cb 0.52 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.60 2d87 h TYR 101 CO -0.88 -0.00 -0.47 1.15 -1.32 0.00 0.00 178.16 176.64 2d87 h THR 102 N 0.47 0.00 -0.68 1.81 2.02 0.05 -2.42 112.91 114.16 2d87 h THR 102 Ca 0.59 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.89 2d87 h THR 102 Cb 1.13 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.41 2d87 h THR 102 CO -0.51 0.00 -0.35 0.22 0.37 0.00 0.00 175.52 175.25 2d87 h TYR 103 N -1.26 -0.97 -1.00 3.16 3.20 -0.68 0.45 116.97 119.86 2d87 h TYR 103 Ca -0.12 0.08 0.20 0.00 3.14 0.00 0.00 58.73 62.03 2d87 h TYR 103 Cb 0.98 0.53 -0.11 0.00 1.54 0.00 0.00 36.73 39.67 2d87 h TYR 103 CO -0.03 -0.39 0.61 0.82 -1.64 0.00 0.00 178.16 177.53 2d87 h ILE 104 N -0.13 0.67 -0.01 1.81 1.08 -1.34 0.21 117.51 119.80 2d87 h ILE 104 Ca 0.25 -0.24 -0.01 0.00 -0.39 0.00 0.00 64.86 64.47 2d87 h ILE 104 Cb 0.56 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.21 2d87 h ILE 104 CO -0.75 0.13 -0.02 -0.61 -0.69 0.00 0.00 178.15 176.21 2d87 h GLN 105 N 0.71 0.03 0.33 2.37 5.75 0.25 -1.95 115.11 122.59 2d87 h GLN 105 Ca 0.59 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 59.07 2d87 h GLN 105 Cb 0.99 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 2d87 h GLN 105 CO -0.39 0.60 -0.31 1.49 -2.65 0.00 0.00 178.83 177.58 2d87 h GLU 106 N -0.54 -0.63 0.05 1.69 4.57 0.31 -2.43 114.58 117.59 2d87 h GLU 106 Ca 0.00 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 2d87 h GLU 106 Cb 0.60 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.30 2d87 h GLU 106 CO 0.00 -0.42 -0.21 0.35 -1.18 0.00 0.00 179.01 177.55 2d87 h PHE 107 N -0.66 -0.56 -0.88 0.92 3.57 -0.73 -2.36 116.94 116.24 2d87 h PHE 107 Ca -0.02 0.02 0.22 0.00 3.53 0.00 0.00 57.97 61.71 2d87 h PHE 107 Cb 0.59 0.24 -0.16 0.00 2.79 0.00 0.00 35.95 39.41 2d87 h PHE 107 CO -0.18 -0.30 -0.01 -0.92 -2.23 0.00 0.00 178.31 174.68 2d87 h TYR 108 N -0.36 -0.09 -1.00 0.41 5.03 -1.21 0.72 116.97 120.47 2d87 h TYR 108 Ca 0.05 0.07 0.11 0.00 2.58 0.00 0.00 58.73 61.54 2d87 h TYR 108 Cb 0.42 0.18 -0.08 0.00 1.55 0.00 0.00 36.73 38.80 2d87 h TYR 108 CO -0.23 -0.34 0.63 -0.09 -1.32 0.00 0.00 178.16 176.80 2d87 h ARG 109 N 0.06 0.98 0.55 1.82 2.43 -0.93 -2.47 114.38 116.82 2d87 h ARG 109 Ca 0.50 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.59 2d87 h ARG 109 Cb 0.95 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2d87 h ARG 109 CO -0.81 0.65 -0.27 0.00 -1.51 0.00 0.00 179.97 178.02 2d87 h LEU 111 N -0.75 -0.59 -1.02 0.00 3.38 -1.01 0.79 115.31 116.11 2d87 h LEU 111 Ca -0.08 0.26 0.15 0.00 0.09 0.00 0.00 57.88 58.30 2d87 h LEU 111 Cb 0.57 0.48 -0.09 0.00 0.09 0.00 0.00 40.66 41.71 2d87 h LEU 111 CO 0.12 -0.29 0.62 0.58 0.09 0.00 0.00 178.44 179.57 2d87 h VAL 112 N 0.03 0.82 0.22 1.22 2.07 -1.35 0.13 116.25 119.38 2d87 h VAL 112 Ca 0.49 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 2d87 h VAL 112 Cb 0.87 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2d87 h VAL 112 CO -0.86 0.16 -0.10 1.56 0.02 0.00 0.00 177.57 178.34 2d87 h GLN 113 N 0.88 -0.28 0.00 1.57 4.20 0.66 -2.92 115.11 119.23 2d87 h GLN 113 Ca 0.54 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.26 2d87 h GLN 113 Cb 0.69 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 2d87 h GLN 113 CO -0.32 0.00 -0.02 0.87 -0.67 0.00 0.00 178.83 178.70 2d87 h LYS 114 N -0.55 0.00 -0.01 1.46 6.56 -0.72 -3.46 116.57 119.85 2d87 h LYS 114 Ca -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2d87 h LYS 114 Cb 0.41 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 2d87 h LYS 114 CO 0.05 0.02 0.00 0.41 -2.06 0.00 0.00 179.45 177.87 2d87 n GLY 115 N -1.43 1.36 0.13 3.86 0.00 0.33 -5.04 105.19 104.41 2d87 n GLY 115 Ca -0.03 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 2.36 -4.71 0.99 4.77 -0.50 -4.93 117.00 114.96 2d87 n LEU 116 Ca 0.00 0.20 -0.35 0.00 -0.03 0.00 0.00 56.01 55.83 2d87 n LEU 116 Cb 0.01 -0.94 -0.09 0.00 -2.33 0.00 0.00 43.42 40.07 2d87 n LEU 116 CO 0.00 0.67 -0.26 -0.69 -1.33 0.00 0.00 177.39 175.78 2d87 s VAL 117 N -2.49 4.75 -0.83 4.08 1.01 -1.25 -5.00 120.40 120.66 2d87 s VAL 117 Ca -0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2d87 s VAL 117 Cb 0.10 -3.07 0.21 0.00 0.00 0.00 0.00 36.38 33.62 2d87 s VAL 117 CO 0.60 0.56 0.70 -1.59 0.00 0.00 0.00 175.10 175.38 2d87 s LYS 118 N -0.51 3.11 -0.20 2.72 -2.85 -1.26 -4.51 119.74 116.24 2d87 s LYS 118 Ca 0.10 -3.12 -0.07 0.00 -1.00 0.00 0.00 55.97 51.87 2d87 s LYS 118 Cb -0.12 -3.90 -0.04 0.00 -2.06 0.00 0.00 37.83 31.71 2d87 s LYS 118 CO 0.02 -1.25 0.06 -0.08 0.10 0.00 0.00 175.35 174.20 2d87 s THR 119 N -1.08 4.60 0.54 3.79 -1.32 -1.26 -5.10 115.64 115.81 2d87 s THR 119 Ca 0.25 -0.09 -0.10 0.00 -1.21 0.00 0.00 61.69 60.54 2d87 s THR 119 Cb -0.10 -3.10 -0.05 0.00 -1.51 0.00 0.00 72.50 67.75 2d87 s THR 119 CO -0.11 0.42 0.91 -0.54 -2.21 0.00 0.00 174.62 173.09 2d87 s LYS 120 N 0.79 3.64 -0.24 7.08 1.02 -1.26 -5.06 119.74 125.71 2d87 s LYS 120 Ca 0.03 0.55 -0.06 0.00 0.02 0.00 0.00 55.97 56.51 2d87 s LYS 120 Cb -0.14 -2.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 2d87 s LYS 120 CO 0.02 -0.35 0.03 0.21 -0.92 0.00 0.00 175.35 174.34 2d87 s LYS 121 N -4.76 3.58 0.24 1.68 2.47 -1.26 -4.99 119.74 116.70 2d87 s LYS 121 Ca 0.52 -0.52 -0.04 0.00 -1.56 0.00 0.00 55.97 54.37 2d87 s LYS 121 Cb -0.11 -3.22 0.46 0.00 -1.46 0.00 0.00 37.83 33.51 2d87 s LYS 121 CO 0.46 -0.17 1.31 0.43 0.16 0.00 0.00 175.35 177.54 2d87 n SER 122 N 4.82 -0.24 -4.84 1.43 7.64 -1.26 -4.15 113.62 117.03 2d87 n SER 122 Ca -0.17 1.44 -0.37 0.00 1.01 0.00 0.00 58.87 60.79 2d87 n SER 122 Cb 0.51 -0.46 -0.07 0.00 -1.01 0.00 0.00 64.21 63.18 2d87 n SER 122 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d87 s SER 123 N -5.15 6.22 0.61 6.43 0.15 -1.26 -5.08 113.70 115.62 2d87 s SER 123 Ca -0.12 0.40 -0.18 0.00 0.70 0.00 0.00 55.95 56.75 2d87 s SER 123 Cb 0.23 -2.00 -0.02 0.00 -1.71 0.00 0.00 66.02 62.52 2d87 s SER 123 CO 0.65 0.38 1.16 -0.83 1.20 0.00 0.00 173.24 175.81 2d87 s GLY 124 N -0.84 2.52 0.72 9.45 0.00 -1.26 -5.00 107.32 112.91 2d87 s GLY 124 Ca 0.14 0.84 -0.12 0.00 0.00 0.00 0.00 44.72 45.57 2d87 s GLY 124 CO 0.03 1.21 1.10 2.56 0.00 0.00 0.00 173.10 178.00 2d87 s PRO 125 N -3.57 2.51 -0.14 2.90 0.04 -1.26 -5.06 135.00 130.42 2d87 s PRO 125 Ca 0.73 1.26 -0.03 0.00 0.04 0.00 0.00 61.00 63.01 2d87 s PRO 125 Cb -0.26 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.40 2d87 s PRO 125 CO 0.35 -1.46 0.04 -1.12 0.04 0.00 0.00 177.00 174.85 2d87 s SER 126 N -3.04 2.21 -0.27 6.66 0.01 -1.26 -5.12 113.70 112.89 2d87 s SER 126 Ca 0.64 -0.46 -0.26 0.00 1.31 0.00 0.00 55.95 57.18 2d87 s SER 126 Cb -0.19 -0.42 0.14 0.00 0.21 0.00 0.00 66.02 65.77 2d87 s SER 126 CO 0.49 -0.28 1.14 -0.94 0.41 0.00 0.00 173.24 174.07 2d87 s SER 127 N 1.99 -0.33 0.00 2.44 1.04 -1.26 -5.35 113.70 112.23 2d87 s SER 127 Ca 0.02 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2d87 s SER 127 Cb -0.15 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2d87 s SER 127 CO -0.07 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.63