#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 1.70 0.23 1.61 1.04 -1.26 -5.04 113.70 111.99 2d87 s SER 2 Ca 0.00 -0.27 -0.17 0.00 0.48 0.00 0.00 55.95 55.99 2d87 s SER 2 Cb 0.00 -0.77 0.25 0.00 0.10 0.00 0.00 66.02 65.60 2d87 s SER 2 CO 0.00 -0.00 1.53 -1.20 0.98 0.00 0.00 173.24 174.55 2d87 n SER 3 N 4.01 -0.63 -1.77 7.02 7.64 -1.26 -4.89 113.62 123.75 2d87 n SER 3 Ca -0.22 1.72 -0.00 0.00 1.01 0.00 0.00 58.87 61.38 2d87 n SER 3 Cb 0.51 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2d87 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d87 n GLY 4 N -1.48 -0.43 2.21 0.23 0.00 -1.26 -5.09 105.19 99.38 2d87 n GLY 4 Ca 0.10 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2d87 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d87 n SER 5 N -1.15 1.56 -4.27 1.61 7.64 -1.26 -5.14 113.62 112.60 2d87 n SER 5 Ca -0.00 -1.97 -0.29 0.00 1.01 0.00 0.00 58.87 57.62 2d87 n SER 5 Cb 0.50 -0.15 -0.16 0.00 -1.01 0.00 0.00 64.21 63.40 2d87 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d87 s SER 6 N -2.97 2.79 0.00 6.43 0.01 -1.26 -5.04 113.70 113.66 2d87 s SER 6 Ca 0.27 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2d87 s SER 6 Cb -0.02 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.90 2d87 s SER 6 CO 0.17 0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.72 2d87 n GLY 7 N 2.42 0.86 0.12 3.44 0.00 -1.26 -4.68 105.19 106.09 2d87 n GLY 7 Ca -0.16 -1.97 -0.17 0.00 0.00 0.00 0.00 46.02 43.72 2d87 n GLY 7 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2d87 n ILE 8 N 1.23 1.58 0.12 -0.61 5.41 -1.26 -4.08 119.36 121.75 2d87 n ILE 8 Ca 0.00 -0.66 0.19 0.00 1.00 0.00 0.00 62.75 63.28 2d87 n ILE 8 Cb 0.00 -1.35 0.64 0.00 -0.71 0.00 0.00 39.64 38.22 2d87 n ILE 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2d87 h LYS 9 N 0.02 0.00 0.00 0.38 3.64 -2.00 -1.49 116.57 117.12 2d87 h LYS 9 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2d87 h LYS 9 Cb 2.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.82 2d87 h LYS 9 CO 0.00 0.00 -0.10 1.96 -2.27 0.00 0.00 179.45 179.04 2d87 h GLN 10 N 0.00 0.00 -1.30 1.90 1.08 -1.84 -3.27 115.11 111.68 2d87 h GLN 10 Ca 0.18 0.00 0.42 0.00 -1.45 0.00 0.00 58.65 57.80 2d87 h GLN 10 Cb 1.39 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.69 2d87 h GLN 10 CO -0.00 0.00 0.84 0.00 -0.95 0.00 0.00 178.83 178.72 2d87 h MET 11 N -0.55 0.11 -0.30 1.46 -0.00 -1.56 0.68 114.93 114.77 2d87 h MET 11 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 2d87 h MET 11 Cb 0.10 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 31.67 2d87 h MET 11 CO 0.00 0.07 0.13 -0.07 -0.00 0.00 0.00 176.91 177.04 2d87 h LEU 12 N 0.11 0.40 -0.41 -0.10 3.38 -1.44 0.12 115.31 117.37 2d87 h LEU 12 Ca 0.80 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.59 2d87 h LEU 12 Cb 2.49 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 43.12 2d87 h LEU 12 CO -0.40 0.44 0.13 0.25 0.09 0.00 0.00 178.44 178.95 2d87 h LEU 13 N 0.33 0.59 -0.54 1.67 5.85 0.28 0.38 115.31 123.88 2d87 h LEU 13 Ca 0.10 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 2d87 h LEU 13 Cb 0.16 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2d87 h LEU 13 CO -0.01 0.64 0.16 -0.78 -0.34 0.00 0.00 178.44 178.11 2d87 h ASP 14 N 0.52 0.79 0.40 1.25 1.82 -1.16 -3.06 116.42 116.98 2d87 h ASP 14 Ca 0.13 -0.21 -0.02 0.00 -0.39 0.00 0.00 57.03 56.54 2d87 h ASP 14 Cb 0.25 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.06 2d87 h ASP 14 CO -0.00 0.79 -0.19 -0.25 -1.61 0.00 0.00 179.24 177.98 2d87 h TRP 15 N 0.75 -0.50 -0.93 0.28 7.01 -0.61 -2.75 115.95 119.20 2d87 h TRP 15 Ca 0.17 -0.01 0.19 0.00 2.11 0.00 0.00 58.89 61.35 2d87 h TRP 15 Cb 0.29 0.17 -0.18 0.00 -2.10 0.00 0.00 29.16 27.34 2d87 h TRP 15 CO 0.02 -0.19 -0.22 0.00 -2.79 0.00 0.00 178.44 175.26 2d87 h ARG 17 N 0.00 -0.03 -0.99 0.00 3.08 -1.50 -0.71 114.38 114.23 2d87 h ARG 17 Ca 0.45 0.00 0.33 0.00 0.07 0.00 0.00 59.98 60.83 2d87 h ARG 17 Cb 0.71 0.01 -0.18 0.00 0.08 0.00 0.00 29.97 30.59 2d87 h ARG 17 CO -0.95 0.06 0.25 0.00 -1.07 0.00 0.00 179.97 178.26 2d87 h ALA 18 N 0.86 1.58 0.00 0.04 0.00 0.18 1.41 119.26 123.33 2d87 h ALA 18 Ca -0.00 0.30 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 2d87 h ALA 18 Cb 0.11 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2d87 h ALA 18 CO 0.00 -0.71 -0.92 0.87 0.00 0.00 0.00 179.25 178.50 2d87 h LYS 19 N 0.03 0.00 -0.92 0.00 1.79 -1.20 -3.28 116.57 113.00 2d87 h LYS 19 Ca 0.70 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.77 2d87 h LYS 19 Cb 1.62 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 32.03 2d87 h LYS 19 CO -0.84 0.53 0.51 2.41 -1.08 0.00 0.00 179.45 180.98 2d87 n THR 20 N -3.14 3.03 -2.65 -0.16 -1.04 0.43 -4.84 114.28 105.91 2d87 n THR 20 Ca -0.03 -1.74 -0.42 0.00 -2.04 0.00 0.00 64.05 59.82 2d87 n THR 20 Cb 0.82 -0.45 -0.03 0.00 -1.82 0.00 0.00 70.33 68.85 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 -3.07 4.50 0.00 -2.82 0.52 0.16 -3.73 118.95 114.51 2d87 s ARG 21 Ca 0.54 1.48 0.00 0.00 -0.52 0.00 0.00 55.73 57.23 2d87 s ARG 21 Cb 0.45 -3.47 0.00 0.00 0.52 0.00 0.00 34.95 32.45 2d87 s ARG 21 CO 0.12 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.69 2d87 n GLY 22 N 3.01 2.97 3.19 -3.53 0.00 -1.26 -5.01 105.19 104.55 2d87 n GLY 22 Ca 0.07 -0.79 -0.58 0.00 0.00 0.00 0.00 46.02 44.72 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 1.37 -2.42 1.61 4.01 -1.24 -4.85 117.16 115.63 2d87 n TYR 23 Ca 0.00 0.90 -0.37 0.00 -0.16 0.00 0.00 57.90 58.27 2d87 n TYR 23 Cb 0.00 -2.02 -0.03 0.00 -0.31 0.00 0.00 39.34 36.98 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 3.75 4.04 -1.01 -0.72 2.12 -1.26 -3.51 118.70 122.11 2d87 s GLU 24 Ca 0.99 1.64 -0.07 0.00 0.36 0.00 0.00 54.97 57.90 2d87 s GLU 24 Cb -1.35 -2.53 0.01 0.00 0.26 0.00 0.00 34.13 30.52 2d87 s GLU 24 CO 0.68 -0.28 0.86 0.72 -0.54 0.00 0.00 175.26 176.70 2d87 n HIS 25 N -0.15 -2.12 -3.68 5.30 8.25 -1.26 -5.01 115.22 116.55 2d87 n HIS 25 Ca 0.05 0.74 -0.11 0.00 -0.26 0.00 0.00 57.72 58.15 2d87 n HIS 25 Cb 0.49 -3.98 -0.11 0.00 1.12 0.00 0.00 29.99 27.51 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 -3.23 -0.38 -0.20 1.59 1.01 -1.23 -4.64 120.40 113.33 2d87 s VAL 26 Ca 0.43 0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 2d87 s VAL 26 Cb -0.19 -0.56 0.10 0.00 0.00 0.00 0.00 36.38 35.73 2d87 s VAL 26 CO 0.53 0.08 0.28 -1.81 0.00 0.00 0.00 175.10 174.18 2d87 s ASP 27 N 2.14 0.77 -0.94 3.32 1.01 -1.26 -4.92 116.67 116.79 2d87 s ASP 27 Ca -0.03 0.14 -0.15 0.00 0.71 0.00 0.00 52.55 53.21 2d87 s ASP 27 Cb -0.11 0.69 0.19 0.00 1.01 0.00 0.00 42.92 44.70 2d87 s ASP 27 CO -0.11 -0.29 1.02 -0.63 0.21 0.00 0.00 175.17 175.36 2d87 s ILE 28 N 2.42 5.26 -0.11 0.77 1.01 -1.26 -4.79 121.20 124.49 2d87 s ILE 28 Ca 0.07 -2.26 -0.04 0.00 0.00 0.00 0.00 60.65 58.42 2d87 s ILE 28 Cb -0.15 -4.65 -0.26 0.00 0.01 0.00 0.00 42.46 37.42 2d87 s ILE 28 CO -0.12 -1.29 0.39 1.67 0.00 0.00 0.00 174.94 175.59 2d87 n GLN 29 N 4.98 0.74 -3.57 2.79 7.27 -1.26 -4.93 117.38 123.40 2d87 n GLN 29 Ca 0.21 0.26 -0.17 0.00 0.07 0.00 0.00 57.00 57.38 2d87 n GLN 29 Cb 0.46 -1.72 -0.07 0.00 2.41 0.00 0.00 30.24 31.33 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 -6.88 -0.61 0.00 1.69 6.03 -1.26 -5.04 114.94 108.88 2d87 s ASN 30 Ca -0.20 0.72 -0.04 0.00 -1.03 0.00 0.00 52.86 52.31 2d87 s ASN 30 Cb 0.07 0.62 -0.19 0.00 -3.03 0.00 0.00 41.25 38.72 2d87 s ASN 30 CO 0.77 -0.54 2.85 0.49 -2.03 0.00 0.00 177.10 178.65 2d87 n PHE 31 N 1.19 0.00 0.00 1.54 3.72 -1.26 -3.58 117.46 119.07 2d87 n PHE 31 Ca -0.19 -1.17 0.00 0.00 -0.05 0.00 0.00 57.45 56.04 2d87 n PHE 31 Cb 0.57 -1.24 0.00 0.00 -0.94 0.00 0.00 39.48 37.87 2d87 n PHE 31 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2d87 n SER 32 N 2.42 0.00 -2.42 4.37 7.64 -1.26 -2.91 113.62 121.46 2d87 n SER 32 Ca 0.30 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 60.03 2d87 n SER 32 Cb 0.70 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.93 2d87 n SER 32 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2d87 n SER 33 N -2.39 3.43 -0.07 6.43 3.41 -1.25 -3.03 113.62 120.15 2d87 n SER 33 Ca 0.00 -3.07 -0.06 0.00 -0.26 0.00 0.00 58.87 55.48 2d87 n SER 33 Cb 0.00 -0.42 -0.13 0.00 -0.26 0.00 0.00 64.21 63.40 2d87 n SER 33 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2d87 n SER 34 N -0.58 1.04 -0.06 4.04 7.64 -1.23 -4.56 113.62 119.90 2d87 n SER 34 Ca 0.28 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.14 2d87 n SER 34 Cb 0.86 0.98 -0.15 0.00 -1.01 0.00 0.00 64.21 64.88 2d87 n SER 34 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2d87 n TRP 35 N -2.55 0.00 -0.43 1.43 7.02 -1.26 -4.44 117.44 117.21 2d87 n TRP 35 Ca -0.24 0.00 0.34 0.00 -1.02 0.00 0.00 57.50 56.58 2d87 n TRP 35 Cb 0.97 -0.76 0.55 0.00 -2.42 0.00 0.00 31.31 29.65 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 -2.51 0.09 0.33 -0.99 3.41 -1.26 0.45 113.62 113.14 2d87 n SER 36 Ca -0.20 0.92 -0.17 0.00 -0.26 0.00 0.00 58.87 59.16 2d87 n SER 36 Cb 0.89 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.16 0.00 4.04 3.58 -1.87 -3.48 116.42 117.53 2d87 h ASP 37 Ca 0.68 0.08 0.00 0.00 0.42 0.00 0.00 57.03 58.20 2d87 h ASP 37 Cb 2.41 0.36 0.00 0.00 1.72 0.00 0.00 39.33 43.81 2d87 h ASP 37 CO -0.21 -0.64 0.00 0.61 -2.88 0.00 0.00 179.24 176.12 2d87 n GLY 38 N -1.53 2.49 0.34 -0.78 0.00 0.17 -4.54 105.19 101.34 2d87 n GLY 38 Ca -0.12 -0.48 0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 0.02 -0.49 1.61 2.86 -1.85 -1.21 114.93 115.86 2d87 h MET 39 Ca 0.00 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2d87 h MET 39 Cb 0.00 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 2d87 h MET 39 CO 0.00 0.01 -0.29 0.00 1.06 0.00 0.00 176.91 177.69 2d87 n ALA 40 N -3.29 -0.31 -0.00 6.32 0.00 -1.26 -0.10 120.51 121.86 2d87 n ALA 40 Ca 0.19 0.41 -0.14 0.00 0.00 0.00 0.00 53.44 53.90 2d87 n ALA 40 Cb 0.61 0.06 -0.08 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.46 -0.16 0.00 0.04 -1.51 -1.61 116.94 112.24 2d87 h PHE 41 Ca 0.08 0.06 0.03 0.00 2.80 0.00 0.00 57.97 60.94 2d87 h PHE 41 Cb 0.20 0.66 -0.07 0.00 2.20 0.00 0.00 35.95 38.94 2d87 h PHE 41 CO -0.74 -0.53 -0.53 0.00 -0.60 0.00 0.00 178.31 175.92 2d87 h ALA 43 N -0.21 0.66 -0.55 0.00 0.00 -0.12 0.52 119.26 119.55 2d87 h ALA 43 Ca 0.04 0.32 0.05 0.00 0.00 0.00 0.00 54.91 55.32 2d87 h ALA 43 Cb 0.67 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 2d87 h ALA 43 CO -0.45 -0.42 0.28 1.25 0.00 0.00 0.00 179.25 179.91 2d87 h LEU 44 N 0.02 0.39 0.40 0.00 5.85 -0.28 -2.45 115.31 119.23 2d87 h LEU 44 Ca 0.43 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.16 2d87 h LEU 44 Cb 0.70 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2d87 h LEU 44 CO -0.85 0.26 -0.19 0.58 -0.34 0.00 0.00 178.44 177.90 2d87 h VAL 45 N 0.53 0.00 -0.74 1.05 2.07 0.55 -3.24 116.25 116.47 2d87 h VAL 45 Ca 0.25 -0.33 0.25 0.00 0.82 0.00 0.00 66.70 67.69 2d87 h VAL 45 Cb 0.17 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.80 2d87 h VAL 45 CO -0.18 0.00 0.19 1.57 0.02 0.00 0.00 177.57 179.18 2d87 n HIS 46 N -4.37 0.66 -0.20 1.57 -0.00 0.14 0.15 115.22 113.16 2d87 n HIS 46 Ca -0.07 0.89 -0.00 0.00 -0.00 0.00 0.00 57.72 58.53 2d87 n HIS 46 Cb 0.21 -1.17 0.07 0.00 -0.00 0.00 0.00 29.99 29.10 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 -0.48 0.31 0.26 -1.24 -1.46 -0.14 115.58 112.84 2d87 h ASN 47 Ca 0.53 0.17 -0.02 0.00 0.71 0.00 0.00 56.30 57.70 2d87 h ASN 47 Cb 1.27 0.34 0.00 0.00 0.73 0.00 0.00 38.32 40.67 2d87 h ASN 47 CO -0.64 -0.18 -0.15 -0.26 -1.29 0.00 0.00 177.43 174.92 2d87 h PHE 48 N 0.03 -0.39 -3.41 0.67 0.04 0.12 -3.41 116.94 110.60 2d87 h PHE 48 Ca 0.30 -0.01 -0.67 0.00 2.80 0.00 0.00 57.97 60.39 2d87 h PHE 48 Cb 0.47 0.13 -0.38 0.00 2.20 0.00 0.00 35.95 38.37 2d87 h PHE 48 CO -0.46 -0.24 -0.43 -0.06 -0.60 0.00 0.00 178.31 176.53 2d87 s PHE 49 N -2.97 3.42 0.17 -0.55 0.08 -0.88 -4.93 117.98 112.33 2d87 s PHE 49 Ca -0.06 -2.98 -0.08 0.00 0.12 0.00 0.00 56.93 53.93 2d87 s PHE 49 Cb 0.01 -3.03 0.03 0.00 -0.57 0.00 0.00 43.02 39.45 2d87 s PHE 49 CO 0.18 -0.76 1.51 -1.00 -0.10 0.00 0.00 175.22 175.05 2d87 h PRO 50 N 6.52 0.84 -0.58 0.24 0.13 -1.26 -3.19 132.00 134.70 2d87 h PRO 50 Ca 0.01 -0.44 -0.09 0.00 -0.87 0.00 0.00 66.00 64.62 2d87 h PRO 50 Cb 0.89 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 2d87 h PRO 50 CO 0.72 1.08 0.03 1.05 -0.23 0.00 0.00 178.00 180.65 2d87 h GLU 51 N 0.68 1.01 -1.34 0.86 4.11 -1.91 -2.90 114.58 115.09 2d87 h GLU 51 Ca 0.06 -0.31 0.44 0.00 0.07 0.00 0.00 59.36 59.61 2d87 h GLU 51 Cb 0.96 -0.10 -0.12 0.00 0.50 0.00 0.00 28.75 29.99 2d87 h GLU 51 CO 0.09 0.99 0.87 0.00 0.07 0.00 0.00 179.01 181.03 2d87 h ALA 52 N 0.98 2.77 -1.86 1.06 0.00 -1.93 -3.41 119.26 116.87 2d87 h ALA 52 Ca 0.17 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.24 2d87 h ALA 52 Cb 0.52 0.20 -0.20 0.00 0.00 0.00 0.00 17.79 18.30 2d87 h ALA 52 CO 0.02 -1.39 0.46 -0.59 0.00 0.00 0.00 179.25 177.75 2d87 s PHE 53 N -5.28 -0.42 -0.14 0.00 -0.71 -1.10 -4.94 117.98 105.39 2d87 s PHE 53 Ca -0.08 0.61 -0.21 0.00 -1.04 0.00 0.00 56.93 56.21 2d87 s PHE 53 Cb 0.29 0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 42.54 2d87 s PHE 53 CO 0.82 -0.46 0.62 -0.51 -1.34 0.00 0.00 175.22 174.36 2d87 s ASP 54 N -1.51 6.78 -0.10 1.98 1.01 -1.26 -4.69 116.67 118.88 2d87 s ASP 54 Ca -0.02 0.94 -0.09 0.00 0.71 0.00 0.00 52.55 54.09 2d87 s ASP 54 Cb -0.01 -2.36 -0.07 0.00 1.01 0.00 0.00 42.92 41.50 2d87 s ASP 54 CO 0.00 -0.17 0.29 0.22 0.21 0.00 0.00 175.17 175.72 2d87 h TYR 55 N 7.11 -0.07 -0.99 4.23 3.20 -1.96 -3.32 116.97 125.16 2d87 h TYR 55 Ca -0.36 -0.00 0.26 0.00 3.14 0.00 0.00 58.73 61.76 2d87 h TYR 55 Cb 1.17 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 39.39 2d87 h TYR 55 CO 0.67 0.17 0.67 0.78 -1.64 0.00 0.00 178.16 178.82 2d87 h GLY 56 N -1.00 0.66 0.83 1.82 0.00 -2.01 0.11 103.07 103.48 2d87 h GLY 56 Ca -0.01 -0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.24 2d87 h GLY 56 CO 0.01 -0.05 0.62 1.46 0.00 0.00 0.00 176.54 178.59 2d87 h GLN 57 N 0.25 1.15 -7.33 4.80 1.08 -1.99 -3.43 115.11 109.65 2d87 h GLN 57 Ca 0.51 -0.07 -0.41 0.00 -1.45 0.00 0.00 58.65 57.23 2d87 h GLN 57 Cb 1.56 -0.26 0.20 0.00 -0.05 0.00 0.00 27.48 28.93 2d87 h GLN 57 CO -0.15 0.76 0.09 -0.51 -0.95 0.00 0.00 178.83 178.07 2d87 s LEU 58 N -10.16 0.43 0.04 1.46 1.43 0.38 -5.08 118.68 107.17 2d87 s LEU 58 Ca -0.13 0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 53.68 2d87 s LEU 58 Cb 0.19 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 2d87 s LEU 58 CO 0.81 -4.30 -0.01 -0.44 0.23 0.00 0.00 176.35 172.64 2d87 s SER 59 N -3.71 0.36 0.05 2.29 0.01 -1.26 -5.04 113.70 106.40 2d87 s SER 59 Ca 0.70 -0.77 -0.19 0.00 1.31 0.00 0.00 55.95 57.00 2d87 s SER 59 Cb -0.11 0.17 -0.13 0.00 0.21 0.00 0.00 66.02 66.15 2d87 s SER 59 CO 0.57 -0.49 1.36 1.55 0.41 0.00 0.00 173.24 176.64 2d87 h PRO 60 N 3.72 0.41 -1.06 12.44 0.13 -1.98 -3.14 132.00 142.53 2d87 h PRO 60 Ca -0.33 -0.22 0.28 0.00 -0.87 0.00 0.00 66.00 64.86 2d87 h PRO 60 Cb 1.17 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 2d87 h PRO 60 CO 0.55 0.78 0.69 0.37 -0.23 0.00 0.00 178.00 180.16 2d87 h GLN 61 N 0.06 0.34 -5.84 0.86 5.75 -1.97 -3.36 115.11 110.95 2d87 h GLN 61 Ca 0.03 -0.02 -0.44 0.00 -0.15 0.00 0.00 58.65 58.07 2d87 h GLN 61 Cb 0.71 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.15 2d87 h GLN 61 CO 0.04 0.23 1.26 -0.80 -2.65 0.00 0.00 178.83 176.91 2d87 s ASN 62 N -5.23 5.01 0.37 -0.69 0.01 -1.19 -4.79 114.94 108.44 2d87 s ASN 62 Ca -0.08 0.33 0.20 0.00 -0.71 0.00 0.00 52.86 52.59 2d87 s ASN 62 Cb 0.25 -2.53 0.50 0.00 0.41 0.00 0.00 41.25 39.89 2d87 s ASN 62 CO 0.80 -2.61 1.64 0.03 -1.51 0.00 0.00 177.10 175.45 2d87 h ARG 63 N 15.30 0.00 0.00 -0.60 2.47 -1.80 -3.12 114.38 126.63 2d87 h ARG 63 Ca -0.19 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 2d87 h ARG 63 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 2d87 h ARG 63 CO 1.20 0.34 0.00 0.54 0.56 0.00 0.00 179.97 182.60 2d87 n ARG 64 N -3.32 0.00 -0.27 0.04 3.00 -1.26 -4.03 116.66 110.82 2d87 n ARG 64 Ca 0.01 0.12 0.12 0.00 -0.01 0.00 0.00 57.85 58.10 2d87 n ARG 64 Cb 0.57 -0.51 0.24 0.00 0.00 0.00 0.00 32.46 32.76 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 -1.88 -0.06 -0.09 5.56 -0.06 -1.26 0.12 117.38 119.71 2d87 n GLN 65 Ca 0.00 1.17 -0.06 0.00 -2.00 0.00 0.00 57.00 56.11 2d87 n GLN 65 Cb 0.00 -1.88 0.00 0.00 -4.06 0.00 0.00 30.24 24.30 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 -0.52 0.24 1.69 2.35 -1.76 0.86 115.58 118.43 2d87 h ASN 66 Ca 0.49 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 56.35 2d87 h ASN 66 Cb 1.02 0.29 0.00 0.00 0.05 0.00 0.00 38.32 39.68 2d87 h ASN 66 CO -0.73 -0.19 -0.12 -0.26 -1.65 0.00 0.00 177.43 174.48 2d87 h PHE 67 N -0.10 -0.30 -0.75 1.19 -1.00 0.81 -2.81 116.94 113.99 2d87 h PHE 67 Ca 0.17 -0.01 0.07 0.00 2.81 0.00 0.00 57.97 61.01 2d87 h PHE 67 Cb 0.36 0.10 -0.09 0.00 3.61 0.00 0.00 35.95 39.93 2d87 h PHE 67 CO -0.36 -0.19 -0.44 0.39 -1.61 0.00 0.00 178.31 176.10 2d87 n GLU 68 N -3.36 -0.33 -0.25 1.51 -0.58 -0.38 -0.52 120.64 116.74 2d87 n GLU 68 Ca -0.04 1.36 -0.02 0.00 -0.42 0.00 0.00 57.16 58.04 2d87 n GLU 68 Cb 0.13 -2.01 0.04 0.00 -0.57 0.00 0.00 31.44 29.02 2d87 n GLU 68 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2d87 h VAL 69 N 0.00 0.17 -0.91 2.62 2.07 -0.95 0.38 116.25 119.63 2d87 h VAL 69 Ca 0.12 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.79 2d87 h VAL 69 Cb 0.31 0.17 -0.10 0.00 -1.52 0.00 0.00 31.29 30.15 2d87 h VAL 69 CO -0.70 0.00 0.51 0.00 0.02 0.00 0.00 177.57 177.40 2d87 h ALA 70 N 1.30 1.42 0.19 1.67 0.00 -0.52 0.20 119.26 123.51 2d87 h ALA 70 Ca 0.29 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2d87 h ALA 70 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2d87 h ALA 70 CO -0.76 -0.03 -0.09 0.74 0.00 0.00 0.00 179.25 179.11 2d87 h PHE 71 N 0.72 -0.23 -0.43 0.00 0.04 0.94 -3.20 116.94 114.77 2d87 h PHE 71 Ca 0.50 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 61.33 2d87 h PHE 71 Cb 0.69 0.08 -0.09 0.00 2.20 0.00 0.00 35.95 38.83 2d87 h PHE 71 CO -0.05 -0.15 -0.47 1.03 -0.60 0.00 0.00 178.31 178.07 2d87 h SER 72 N -0.46 -1.57 -0.93 2.17 0.87 -0.63 0.86 113.55 113.86 2d87 h SER 72 Ca -0.03 0.23 0.33 0.00 -1.23 0.00 0.00 61.79 61.10 2d87 h SER 72 Cb 0.19 0.68 -0.17 0.00 -0.44 0.00 0.00 62.40 62.66 2d87 h SER 72 CO 0.04 -0.38 0.29 -1.20 -0.53 0.00 0.00 176.83 175.06 2d87 n SER 73 N -5.40 0.14 0.26 6.23 7.64 0.69 -0.71 113.62 122.45 2d87 n SER 73 Ca -0.01 1.57 -0.11 0.00 1.01 0.00 0.00 58.87 61.33 2d87 n SER 73 Cb 0.35 -0.68 -0.05 0.00 -1.01 0.00 0.00 64.21 62.82 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 1.87 -0.74 -0.01 -0.43 0.00 -0.85 -3.04 119.26 116.07 2d87 h ALA 74 Ca 0.69 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.45 2d87 h ALA 74 Cb 1.69 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 2d87 h ALA 74 CO -0.79 -0.68 0.60 1.49 0.00 0.00 0.00 179.25 179.87 2d87 h GLU 75 N -1.13 0.00 -0.28 0.00 4.81 -0.17 0.10 114.58 117.90 2d87 h GLU 75 Ca -0.07 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2d87 h GLU 75 Cb 0.54 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 2d87 h GLU 75 CO 0.12 0.00 -0.45 1.15 -0.73 0.00 0.00 179.01 179.10 2d87 h THR 76 N 0.00 0.00 0.00 0.32 2.02 -0.85 -2.18 112.91 112.22 2d87 h THR 76 Ca 0.01 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 2d87 h THR 76 Cb 1.21 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 2d87 h THR 76 CO -0.00 0.00 -1.27 0.00 0.37 0.00 0.00 175.52 174.62 2d87 n HIS 77 N -4.86 0.00 0.09 3.16 1.44 -0.87 -4.65 115.22 109.53 2d87 n HIS 77 Ca -0.03 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.54 2d87 n HIS 77 Cb 0.28 -0.18 -0.13 0.00 0.12 0.00 0.00 29.99 30.08 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 0.31 0.17 -5.75 1.59 0.00 -0.95 -3.48 119.26 111.15 2d87 h ALA 78 Ca -0.07 -0.90 -0.36 0.00 0.00 0.00 0.00 54.91 53.58 2d87 h ALA 78 Cb 0.86 -0.03 0.15 0.00 0.00 0.00 0.00 17.79 18.77 2d87 h ALA 78 CO 0.00 1.06 -0.75 -3.47 0.00 0.00 0.00 179.25 176.09 2d87 n ASP 79 N -3.48 -3.30 -4.72 0.00 -0.08 -0.82 -4.88 116.55 99.27 2d87 n ASP 79 Ca -0.06 -0.61 -0.41 0.00 -1.51 0.00 0.00 54.79 52.19 2d87 n ASP 79 Cb 1.00 -5.01 -0.04 0.00 2.34 0.00 0.00 41.12 39.41 2d87 n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2d87 s PRO 81 N 0.42 3.19 -0.20 0.00 0.04 -1.26 -4.62 135.00 132.57 2d87 s PRO 81 Ca 0.50 1.11 -0.36 0.00 0.04 0.00 0.00 61.00 62.28 2d87 s PRO 81 Cb -0.23 -4.22 -0.13 0.00 0.04 0.00 0.00 34.50 29.97 2d87 s PRO 81 CO 0.29 -2.04 1.91 1.04 0.04 0.00 0.00 177.00 178.24 2d87 n GLN 82 N 8.57 1.68 -0.14 4.56 3.00 -1.26 -4.85 117.38 128.94 2d87 n GLN 82 Ca 0.21 0.59 -0.30 0.00 -0.01 0.00 0.00 57.00 57.50 2d87 n GLN 82 Cb 0.48 -2.47 -0.10 0.00 0.00 0.00 0.00 30.24 28.15 2d87 n GLN 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2d87 n LEU 83 N 6.98 1.96 -4.72 1.08 4.77 -1.26 -4.94 117.00 120.87 2d87 n LEU 83 Ca 0.27 0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 56.17 2d87 n LEU 83 Cb 0.24 -0.82 -0.03 0.00 -2.33 0.00 0.00 43.42 40.48 2d87 n LEU 83 CO 0.76 0.58 0.76 -0.76 -1.33 0.00 0.00 177.39 177.40 2d87 s LEU 84 N -7.50 4.41 -0.97 2.23 1.43 -1.26 -4.98 118.68 112.04 2d87 s LEU 84 Ca -0.39 1.87 -0.18 0.00 -1.03 0.00 0.00 54.13 54.40 2d87 s LEU 84 Cb 0.15 -3.58 0.14 0.00 0.03 0.00 0.00 46.19 42.93 2d87 s LEU 84 CO 0.49 -0.29 1.17 -1.81 0.23 0.00 0.00 176.35 176.14 2d87 s ASP 85 N 0.67 6.71 0.15 2.29 1.11 -1.26 -4.90 116.67 121.44 2d87 s ASP 85 Ca 0.53 -2.23 -0.14 0.00 0.18 0.00 0.00 52.55 50.89 2d87 s ASP 85 Cb -0.25 -2.39 0.12 0.00 1.07 0.00 0.00 42.92 41.46 2d87 s ASP 85 CO 0.30 -0.99 1.08 0.41 1.18 0.00 0.00 175.17 177.15 2d87 n THR 86 N 5.29 -0.39 -0.31 -1.27 -1.04 -1.26 0.17 114.28 115.47 2d87 n THR 86 Ca 0.26 1.65 0.13 0.00 -2.04 0.00 0.00 64.05 64.04 2d87 n THR 86 Cb 0.48 -2.14 0.28 0.00 -1.82 0.00 0.00 70.33 67.12 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 0.09 0.00 -2.82 4.39 -1.98 0.71 114.58 114.97 2d87 h GLU 87 Ca 0.21 -0.01 -0.20 0.00 0.34 0.00 0.00 59.36 59.71 2d87 h GLU 87 Cb 0.39 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 2d87 h GLU 87 CO -0.68 0.06 -0.97 -0.44 -1.16 0.00 0.00 179.01 175.81 2d87 h ASP 88 N 0.09 0.00 -0.20 1.42 3.32 0.13 -3.32 116.42 117.86 2d87 h ASP 88 Ca 0.56 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.60 2d87 h ASP 88 Cb 1.13 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2d87 h ASP 88 CO -0.78 0.96 0.08 0.24 -1.72 0.00 0.00 179.24 178.02 2d87 h MET 89 N 0.00 0.30 0.03 3.56 2.86 0.37 -0.09 114.93 121.96 2d87 h MET 89 Ca -0.02 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2d87 h MET 89 Cb 1.74 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 33.32 2d87 h MET 89 CO 0.12 0.37 -0.33 0.28 1.06 0.00 0.00 176.91 178.41 2d87 h VAL 90 N 0.17 0.00 -0.72 -2.22 2.07 -0.68 -2.44 116.25 112.42 2d87 h VAL 90 Ca 0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.63 2d87 h VAL 90 Cb 0.18 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.90 2d87 h VAL 90 CO -0.01 0.00 0.44 0.08 0.02 0.00 0.00 177.57 178.11 2d87 h ARG 91 N -0.44 0.82 -6.10 1.57 0.11 -1.66 -3.41 114.38 105.26 2d87 h ARG 91 Ca 0.00 -0.05 -0.63 0.00 0.10 0.00 0.00 59.98 59.40 2d87 h ARG 91 Cb 0.46 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.36 2d87 h ARG 91 CO -0.21 0.54 1.30 1.28 0.10 0.00 0.00 179.97 182.99 2d87 n LEU 92 N -4.68 2.92 -0.54 0.08 4.77 -0.05 -4.78 117.00 114.72 2d87 n LEU 92 Ca 0.09 0.59 0.44 0.00 -0.03 0.00 0.00 56.01 57.10 2d87 n LEU 92 Cb 0.12 -1.37 0.72 0.00 -2.33 0.00 0.00 43.42 40.56 2d87 n LEU 92 CO 0.32 -0.45 1.29 0.54 -1.33 0.00 0.00 177.39 177.76 2d87 n ARG 93 N 7.67 -0.03 -3.60 3.23 5.12 -1.26 -4.47 116.66 123.32 2d87 n ARG 93 Ca 0.31 1.20 -0.12 0.00 -1.93 0.00 0.00 57.85 57.31 2d87 n ARG 93 Cb 0.30 -2.47 -0.06 0.00 -1.16 0.00 0.00 32.46 29.07 2d87 n ARG 93 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2d87 s GLU 94 N -5.13 0.72 -0.19 5.56 4.04 -1.26 -5.00 118.70 117.45 2d87 s GLU 94 Ca -0.07 0.57 -0.29 0.00 0.04 0.00 0.00 54.97 55.23 2d87 s GLU 94 Cb 0.30 0.35 -0.03 0.00 0.02 0.00 0.00 34.13 34.76 2d87 s GLU 94 CO 0.84 -0.14 1.59 -1.25 -1.84 0.00 0.00 175.26 174.45 2d87 s PRO 95 N -0.23 3.90 -0.22 -4.83 0.04 -1.17 -4.92 135.00 127.58 2d87 s PRO 95 Ca -0.01 1.75 -0.37 0.00 0.04 0.00 0.00 61.00 62.41 2d87 s PRO 95 Cb -0.03 -4.00 -0.13 0.00 0.04 0.00 0.00 34.50 30.37 2d87 s PRO 95 CO 0.00 -1.16 1.88 -0.25 0.04 0.00 0.00 177.00 177.52 2d87 n ASP 96 N 8.04 2.76 -0.27 6.66 8.00 -1.26 -4.46 116.55 136.02 2d87 n ASP 96 Ca 0.18 0.91 0.08 0.00 0.71 0.00 0.00 54.79 56.67 2d87 n ASP 96 Cb 0.45 -1.25 0.22 0.00 -0.02 0.00 0.00 41.12 40.51 2d87 n ASP 96 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 2d87 h TRP 97 N 8.97 0.43 -0.93 1.24 5.08 -1.84 -0.63 115.95 128.26 2d87 h TRP 97 Ca -0.44 0.04 0.26 0.00 1.08 0.00 0.00 58.89 59.84 2d87 h TRP 97 Cb 1.30 -0.07 -0.17 0.00 -3.00 0.00 0.00 29.16 27.22 2d87 h TRP 97 CO 0.85 -0.04 0.05 1.63 -1.28 0.00 0.00 178.44 179.65 2d87 n LYS 98 N -5.09 -0.07 -0.06 0.12 4.76 -1.26 -0.74 118.16 115.81 2d87 n LYS 98 Ca 0.16 1.39 -0.05 0.00 -2.87 0.00 0.00 58.31 56.94 2d87 n LYS 98 Cb 0.50 -2.22 -0.03 0.00 -1.84 0.00 0.00 35.03 31.44 2d87 n LYS 98 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2d87 n VAL 100 N -4.71 -0.55 -0.30 0.00 0.31 -0.61 0.12 118.33 112.58 2d87 n VAL 100 Ca -0.04 2.02 0.14 0.00 -0.01 0.00 0.00 64.34 66.45 2d87 n VAL 100 Cb 0.17 -2.52 0.31 0.00 -0.91 0.00 0.00 33.84 30.89 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 0.37 0.08 3.52 5.03 -1.12 0.33 116.97 125.19 2d87 h TYR 101 Ca 0.16 0.05 0.02 0.00 2.58 0.00 0.00 58.73 61.54 2d87 h TYR 101 Cb 0.36 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.59 2d87 h TYR 101 CO -0.85 -0.23 -0.23 1.15 -1.32 0.00 0.00 178.16 176.68 2d87 h THR 102 N 0.19 0.48 -0.02 1.81 2.02 0.74 -2.44 112.91 115.70 2d87 h THR 102 Ca 0.58 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.78 2d87 h THR 102 Cb 1.19 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 2d87 h THR 102 CO -0.68 0.00 -0.50 0.22 0.37 0.00 0.00 175.52 174.93 2d87 h TYR 103 N -0.41 -1.48 -1.34 3.16 3.20 -0.55 0.29 116.97 119.85 2d87 h TYR 103 Ca 0.04 0.05 0.39 0.00 3.14 0.00 0.00 58.73 62.34 2d87 h TYR 103 Cb 0.45 0.65 -0.06 0.00 1.54 0.00 0.00 36.73 39.31 2d87 h TYR 103 CO -0.23 -0.53 0.96 0.82 -1.64 0.00 0.00 178.16 177.53 2d87 h ILE 104 N -0.62 0.33 0.04 1.81 1.08 -1.33 0.13 117.51 118.96 2d87 h ILE 104 Ca 0.01 -0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.42 2d87 h ILE 104 Cb 0.67 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 34.74 2d87 h ILE 104 CO -0.34 0.00 -0.25 -0.61 -0.69 0.00 0.00 178.15 176.26 2d87 h GLN 105 N 0.01 0.08 -0.34 2.37 5.75 -0.31 -2.73 115.11 119.94 2d87 h GLN 105 Ca 0.64 -0.13 0.07 0.00 -0.15 0.00 0.00 58.65 59.08 2d87 h GLN 105 Cb 2.54 0.05 -0.06 0.00 1.07 0.00 0.00 27.48 31.08 2d87 h GLN 105 CO -0.02 1.06 -0.07 1.49 -2.65 0.00 0.00 178.83 178.64 2d87 h GLU 106 N -0.84 0.02 -0.69 1.69 4.57 0.21 -1.76 114.58 117.77 2d87 h GLU 106 Ca -0.05 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 2d87 h GLU 106 Cb 1.18 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.74 2d87 h GLU 106 CO 0.03 0.01 0.14 0.35 -1.18 0.00 0.00 179.01 178.36 2d87 h PHE 107 N 0.02 1.20 0.00 0.92 3.57 -1.30 -2.06 116.94 119.28 2d87 h PHE 107 Ca 0.16 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2d87 h PHE 107 Cb 0.25 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2d87 h PHE 107 CO -0.30 0.98 0.11 -0.92 -2.23 0.00 0.00 178.31 175.95 2d87 h TYR 108 N 1.06 0.00 0.05 0.41 5.03 -1.00 0.66 116.97 123.18 2d87 h TYR 108 Ca 0.21 0.00 -0.33 0.00 2.58 0.00 0.00 58.73 61.19 2d87 h TYR 108 Cb 0.41 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.65 2d87 h TYR 108 CO 0.03 0.00 -1.93 -2.13 -1.32 0.00 0.00 178.16 172.81 2d87 n ARG 109 N -2.24 0.68 -0.06 1.82 0.63 -0.79 -3.74 116.66 112.98 2d87 n ARG 109 Ca -0.01 0.24 -0.16 0.00 -0.92 0.00 0.00 57.85 57.00 2d87 n ARG 109 Cb 0.14 -1.72 -0.06 0.00 0.45 0.00 0.00 32.46 31.27 2d87 n ARG 109 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2d87 h LEU 111 N 0.53 -0.16 -1.08 0.00 3.38 -1.47 -2.52 115.31 113.99 2d87 h LEU 111 Ca -0.01 -0.01 0.33 0.00 0.09 0.00 0.00 57.88 58.28 2d87 h LEU 111 Cb 1.21 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.86 2d87 h LEU 111 CO 0.13 -0.10 0.61 0.58 0.09 0.00 0.00 178.44 179.75 2d87 h VAL 112 N -0.21 0.31 0.66 1.22 2.07 -1.64 0.24 116.25 118.89 2d87 h VAL 112 Ca -0.02 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 2d87 h VAL 112 Cb 0.16 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 29.91 2d87 h VAL 112 CO 0.03 0.06 -0.32 1.56 0.02 0.00 0.00 177.57 178.92 2d87 h GLN 113 N 0.31 -0.86 -0.33 1.57 4.20 -1.50 -2.78 115.11 115.72 2d87 h GLN 113 Ca 0.73 0.06 0.10 0.00 0.06 0.00 0.00 58.65 59.60 2d87 h GLN 113 Cb 1.75 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.71 2d87 h GLN 113 CO -0.55 -0.54 0.27 0.87 -0.67 0.00 0.00 178.83 178.21 2d87 h LYS 114 N -1.03 0.00 0.00 1.46 6.56 -0.93 -3.45 116.57 119.18 2d87 h LYS 114 Ca -0.09 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 2d87 h LYS 114 Cb 0.72 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.38 2d87 h LYS 114 CO 0.15 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.95 2d87 n GLY 115 N -1.55 1.49 0.09 3.86 0.00 -0.10 -5.01 105.19 103.97 2d87 n GLY 115 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 2d87 n GLY 115 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d87 h LEU 116 N 0.00 0.17 -7.28 0.99 3.38 -1.68 -3.43 115.31 107.46 2d87 h LEU 116 Ca 0.00 -0.27 -0.60 0.00 0.09 0.00 0.00 57.88 57.10 2d87 h LEU 116 Cb 0.00 -0.05 -0.40 0.00 0.09 0.00 0.00 40.66 40.30 2d87 h LEU 116 CO 0.00 1.23 -0.75 -0.69 0.09 0.00 0.00 178.44 178.32 2d87 s VAL 117 N -2.62 1.21 -0.21 1.22 1.01 -1.26 -4.97 120.40 114.78 2d87 s VAL 117 Ca -0.07 -1.63 -0.16 0.00 0.00 0.00 0.00 61.98 60.13 2d87 s VAL 117 Cb 0.08 -1.91 0.06 0.00 0.00 0.00 0.00 36.38 34.60 2d87 s VAL 117 CO 0.83 -0.66 0.54 -0.75 0.00 0.00 0.00 175.10 175.06 2d87 s LYS 118 N 1.44 0.59 -0.14 2.72 2.20 -1.26 -4.15 119.74 121.15 2d87 s LYS 118 Ca 0.10 0.86 0.16 0.00 -0.36 0.00 0.00 55.97 56.73 2d87 s LYS 118 Cb -0.18 0.20 0.43 0.00 -1.51 0.00 0.00 37.83 36.77 2d87 s LYS 118 CO -0.21 -0.11 1.20 0.25 -0.36 0.00 0.00 175.35 176.11 2d87 n THR 119 N 3.43 1.42 -2.03 3.43 -2.24 -1.26 -4.95 114.28 112.09 2d87 n THR 119 Ca -0.17 -2.52 -0.15 0.00 -2.27 0.00 0.00 64.05 58.94 2d87 n THR 119 Cb 0.56 0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 2d87 n THR 119 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2d87 n LYS 120 N -0.51 -1.16 -3.68 -0.78 4.81 -1.26 -4.98 118.16 110.60 2d87 n LYS 120 Ca 0.16 0.82 -0.11 0.00 -0.87 0.00 0.00 58.31 58.31 2d87 n LYS 120 Cb 0.87 -5.10 -0.11 0.00 0.02 0.00 0.00 35.03 30.71 2d87 n LYS 120 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2d87 s LYS 121 N -4.30 0.29 0.15 1.64 -0.14 -1.26 -5.16 119.74 110.96 2d87 s LYS 121 Ca 0.00 0.82 0.06 0.00 -1.36 0.00 0.00 55.97 55.50 2d87 s LYS 121 Cb 0.00 0.07 -0.04 0.00 -1.68 0.00 0.00 37.83 36.18 2d87 s LYS 121 CO 0.00 -0.22 -0.14 -1.54 -0.76 0.00 0.00 175.35 172.70 2d87 s SER 122 N 2.00 2.19 -0.86 2.83 1.04 -1.26 -5.03 113.70 114.61 2d87 s SER 122 Ca -0.05 -0.92 -0.24 0.00 0.48 0.00 0.00 55.95 55.23 2d87 s SER 122 Cb -0.11 -0.08 0.06 0.00 0.10 0.00 0.00 66.02 65.99 2d87 s SER 122 CO -0.11 -0.18 1.28 -0.55 0.98 0.00 0.00 173.24 174.66 2d87 s SER 123 N -2.87 6.35 0.96 7.02 0.15 -1.26 -4.91 113.70 119.14 2d87 s SER 123 Ca 0.15 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.69 2d87 s SER 123 Cb -0.02 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2d87 s SER 123 CO 0.04 -1.56 0.00 0.61 1.20 0.00 0.00 173.24 173.53 2d87 n GLY 124 N 5.95 0.95 3.76 9.45 0.00 -1.26 -4.70 105.19 119.34 2d87 n GLY 124 Ca 0.16 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 4.46 -0.33 1.61 0.04 -1.26 -4.90 135.00 134.63 2d87 s PRO 125 Ca 0.00 2.06 -0.33 0.00 0.04 0.00 0.00 61.00 62.76 2d87 s PRO 125 Cb 0.00 -3.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.32 2d87 s PRO 125 CO 0.00 -0.05 2.21 -1.13 0.04 0.00 0.00 177.00 178.06 2d87 n SER 126 N 1.08 2.37 -4.53 6.66 3.41 -1.26 -4.84 113.62 116.50 2d87 n SER 126 Ca 0.00 0.35 -0.47 0.00 -0.26 0.00 0.00 58.87 58.49 2d87 n SER 126 Cb 0.43 -1.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.02 2d87 n SER 126 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2d87 n SER 127 N 10.36 0.60 0.00 4.04 7.64 -1.26 -5.23 113.62 129.77 2d87 n SER 127 Ca 0.39 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.43 2d87 n SER 127 Cb 0.28 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 2d87 n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64