#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n88 n LYS 2 N 0.00 0.40 0.00 3.17 4.76 -1.26 -4.29 118.16 120.94 1n88 n LYS 2 Ca 0.00 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1n88 n LYS 2 Cb 0.00 -2.24 0.00 0.00 -1.84 0.00 0.00 35.03 30.95 1n88 n LYS 2 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1n88 n THR 3 N 7.69 0.00 -0.94 -0.18 -1.04 -1.26 0.17 114.28 118.71 1n88 n THR 3 Ca 0.55 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 62.29 1n88 n THR 3 Cb 0.23 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.64 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n88 n ALA 4 N 0.00 0.51 -2.47 2.41 0.00 -1.24 -3.87 120.51 115.85 1n88 n ALA 4 Ca 0.00 -2.21 -0.13 0.00 0.00 0.00 0.00 53.44 51.10 1n88 n ALA 4 Cb 0.00 -3.03 -0.02 0.00 0.00 0.00 0.00 19.45 16.39 1n88 n ALA 4 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1n88 n TYR 5 N 11.82 -0.85 -1.84 0.00 4.11 -1.10 0.27 117.16 129.56 1n88 n TYR 5 Ca 0.37 0.21 0.00 0.00 -0.00 0.00 0.00 57.90 58.48 1n88 n TYR 5 Cb 0.42 -0.81 0.00 0.00 -0.00 0.00 0.00 39.34 38.95 1n88 n TYR 5 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1n88 n ASP 6 N -0.93 -1.46 0.00 9.48 5.75 0.44 -4.79 116.55 125.05 1n88 n ASP 6 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 1n88 n ASP 6 Cb 0.26 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1n88 n ASP 6 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1n88 n VAL 7 N -1.88 0.00 -1.03 2.12 0.31 0.76 -4.43 118.33 114.18 1n88 n VAL 7 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 1n88 n VAL 7 Cb 0.37 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.24 1n88 n VAL 7 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1n88 n ILE 8 N 0.00 0.00 0.00 2.52 2.08 -1.26 -4.47 119.36 118.23 1n88 n ILE 8 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1n88 n ILE 8 Cb 0.00 -0.13 0.00 0.00 -0.75 0.00 0.00 39.64 38.76 1n88 n ILE 8 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1n88 n LEU 9 N 1.60 0.00 -4.71 1.39 4.77 0.38 -3.64 117.00 116.79 1n88 n LEU 9 Ca 0.16 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.87 1n88 n LEU 9 Cb 0.02 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 1n88 n LEU 9 CO 0.46 0.00 -0.30 0.00 -1.33 0.00 0.00 177.39 176.23 1n88 s ALA 10 N -2.50 3.33 0.64 -1.18 0.00 -1.26 -4.84 121.76 115.97 1n88 s ALA 10 Ca 0.00 -1.27 -0.12 0.00 0.00 0.00 0.00 51.96 50.56 1n88 s ALA 10 Cb 0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 1n88 s ALA 10 CO 0.00 0.53 1.05 -1.25 0.00 0.00 0.00 175.76 176.09 1n88 s PRO 11 N -2.88 3.22 -0.19 0.00 0.04 -1.26 -0.61 135.00 133.32 1n88 s PRO 11 Ca 0.28 0.98 -0.08 0.00 0.04 0.00 0.00 61.00 62.23 1n88 s PRO 11 Cb -0.10 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1n88 s PRO 11 CO 0.20 -0.88 0.07 0.14 0.04 0.00 0.00 177.00 176.57 1n88 s VAL 12 N -2.89 4.78 -0.35 -0.36 -7.23 -0.69 -4.83 120.40 108.83 1n88 s VAL 12 Ca 0.59 -0.03 -0.11 0.00 -1.81 0.00 0.00 61.98 60.61 1n88 s VAL 12 Cb -0.14 -3.16 0.01 0.00 0.56 0.00 0.00 36.38 33.65 1n88 s VAL 12 CO 0.48 0.45 0.21 -0.76 -0.31 0.00 0.00 175.10 175.17 1n88 s LEU 13 N 0.47 4.54 -0.19 1.32 2.01 -1.26 -4.74 118.68 120.82 1n88 s LEU 13 Ca 0.03 -0.71 -0.27 0.00 0.01 0.00 0.00 54.13 53.19 1n88 s LEU 13 Cb -0.13 -2.06 0.08 0.00 0.01 0.00 0.00 46.19 44.09 1n88 s LEU 13 CO 0.01 -0.30 0.76 -0.44 1.01 0.00 0.00 176.35 177.39 1n88 s SER 14 N 1.63 -0.66 0.24 2.29 0.01 -1.26 -4.98 113.70 110.96 1n88 s SER 14 Ca 0.04 1.06 -0.14 0.00 1.31 0.00 0.00 55.95 58.23 1n88 s SER 14 Cb -0.18 1.01 0.30 0.00 0.21 0.00 0.00 66.02 67.35 1n88 s SER 14 CO 0.08 -0.36 1.58 -0.33 0.41 0.00 0.00 173.24 174.61 1n88 h GLU 15 N 4.06 -0.03 -0.71 12.44 5.08 -1.97 1.33 114.58 134.78 1n88 h GLU 15 Ca -0.27 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1n88 h GLU 15 Cb 1.16 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 1n88 h GLU 15 CO 0.19 -0.02 0.48 0.87 -1.00 0.00 0.00 179.01 179.53 1n88 h LYS 16 N -0.03 0.40 0.00 2.33 1.57 -1.97 -0.77 116.57 118.09 1n88 h LYS 16 Ca 0.36 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 1n88 h LYS 16 Cb 0.61 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1n88 h LYS 16 CO -0.86 0.26 -0.37 0.00 -0.57 0.00 0.00 179.45 177.91 1n88 h ALA 17 N 1.66 0.02 -1.34 3.86 0.00 0.99 -2.96 119.26 121.49 1n88 h ALA 17 Ca 0.34 -0.40 0.39 0.00 0.00 0.00 0.00 54.91 55.25 1n88 h ALA 17 Cb 0.77 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1n88 h ALA 17 CO -0.11 0.32 0.95 1.88 0.00 0.00 0.00 179.25 182.29 1n88 h TYR 18 N -1.00 0.12 -0.00 0.00 0.05 0.52 2.71 116.97 119.37 1n88 h TYR 18 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1n88 h TYR 18 Cb 0.43 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.14 1n88 h TYR 18 CO -0.09 -0.01 -0.45 0.00 -1.05 0.00 0.00 178.16 176.56 1n88 n ALA 19 N -2.74 3.46 -0.07 3.88 0.00 -0.31 -3.11 120.51 121.61 1n88 n ALA 19 Ca 0.30 -0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 1n88 n ALA 19 Cb 1.37 -1.12 -0.07 0.00 0.00 0.00 0.00 19.45 19.64 1n88 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n88 n GLY 20 N 1.46 -0.28 0.23 0.00 0.00 0.69 -4.39 105.19 102.90 1n88 n GLY 20 Ca 0.07 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.13 1n88 n GLY 20 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1n88 h PHE 21 N 0.00 0.00 -0.00 1.61 -0.00 0.36 -2.83 116.94 116.08 1n88 h PHE 21 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.66 1n88 h PHE 21 Cb 1.54 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.49 1n88 h PHE 21 CO 0.01 0.00 0.06 0.00 -0.00 0.00 0.00 178.31 178.39 1n88 h ALA 22 N 2.09 1.07 -0.27 12.09 0.00 -1.68 0.76 119.26 133.32 1n88 h ALA 22 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n88 h ALA 22 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1n88 h ALA 22 CO 0.00 -0.06 0.00 -1.91 0.00 0.00 0.00 179.25 177.28 1n88 n GLU 23 N -3.05 2.45 -0.40 0.00 4.07 -1.07 -4.78 120.64 117.86 1n88 n GLU 23 Ca -0.03 -1.31 0.00 0.00 -0.06 0.00 0.00 57.16 55.76 1n88 n GLU 23 Cb 0.13 -1.68 0.00 0.00 -0.06 0.00 0.00 31.44 29.83 1n88 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1n88 n GLY 24 N 0.47 0.73 3.75 8.31 0.00 0.20 -4.80 105.19 113.85 1n88 n GLY 24 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1n88 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 s LYS 25 N -0.60 4.62 -0.36 1.61 1.02 -0.85 -3.00 119.74 122.19 1n88 s LYS 25 Ca 0.00 1.25 0.01 0.00 0.02 0.00 0.00 55.97 57.25 1n88 s LYS 25 Cb 0.00 -3.32 0.11 0.00 -0.52 0.00 0.00 37.83 34.10 1n88 s LYS 25 CO 0.00 0.38 0.13 0.71 -0.92 0.00 0.00 175.35 175.66 1n88 s TYR 26 N -0.52 2.33 -0.23 3.18 2.02 0.43 -3.97 117.35 120.59 1n88 s TYR 26 Ca 0.40 -2.28 -0.29 0.00 -0.37 0.00 0.00 57.07 54.53 1n88 s TYR 26 Cb -0.23 -2.10 -0.01 0.00 -0.40 0.00 0.00 41.96 39.22 1n88 s TYR 26 CO 0.27 -0.86 1.28 0.99 -1.57 0.00 0.00 175.55 175.65 1n88 s THR 27 N 1.03 4.22 0.31 -0.71 2.01 -1.15 0.63 115.64 121.98 1n88 s THR 27 Ca 0.12 1.43 0.10 0.00 0.31 0.00 0.00 61.69 63.65 1n88 s THR 27 Cb -0.20 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 1n88 s THR 27 CO -0.13 -0.30 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.09 1n88 s PHE 28 N 3.93 2.50 -0.22 4.92 0.08 0.71 -1.71 117.98 128.19 1n88 s PHE 28 Ca 0.55 -0.38 -0.18 0.00 0.12 0.00 0.00 56.93 57.04 1n88 s PHE 28 Cb -0.19 -1.32 -0.03 0.00 -0.57 0.00 0.00 43.02 40.91 1n88 s PHE 28 CO 0.18 0.57 0.49 -1.58 -0.10 0.00 0.00 175.22 174.78 1n88 s TRP 29 N -2.49 3.33 0.19 0.36 0.52 0.22 0.84 118.94 121.91 1n88 s TRP 29 Ca 0.33 0.68 -0.08 0.00 0.02 0.00 0.00 56.10 57.04 1n88 s TRP 29 Cb -0.02 -2.65 -0.01 0.00 -1.15 0.00 0.00 33.47 29.63 1n88 s TRP 29 CO 0.18 -0.15 0.29 0.54 0.02 0.00 0.00 176.95 177.83 1n88 s VAL 30 N 1.82 0.04 0.41 4.03 0.11 0.77 -0.47 120.40 127.11 1n88 s VAL 30 Ca 0.22 -1.50 -0.27 0.00 -2.93 0.00 0.00 61.98 57.49 1n88 s VAL 30 Cb -0.15 -2.03 -0.10 0.00 -1.53 0.00 0.00 36.38 32.57 1n88 s VAL 30 CO 0.09 -0.20 1.46 -2.28 -3.33 0.00 0.00 175.10 170.85 1n88 s HIS 31 N -4.01 2.53 -1.13 1.54 2.46 -1.26 0.25 115.29 115.66 1n88 s HIS 31 Ca 0.22 1.20 -0.21 0.00 0.47 0.00 0.00 55.06 56.74 1n88 s HIS 31 Cb 0.03 -3.99 -0.07 0.00 -0.13 0.00 0.00 32.58 28.43 1n88 s HIS 31 CO 0.04 -2.98 1.91 -0.35 -2.47 0.00 0.00 174.74 170.89 1n88 n PRO 32 N 0.20 1.92 0.00 2.88 -0.04 -1.26 -3.04 135.00 135.67 1n88 n PRO 32 Ca 0.03 -2.49 0.00 0.00 -0.04 0.00 0.00 63.50 60.99 1n88 n PRO 32 Cb 0.40 -3.50 0.00 0.00 -0.04 0.00 0.00 33.50 30.36 1n88 n PRO 32 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1n88 n LYS 33 N 7.93 0.00 -1.54 0.54 2.85 -1.26 -5.05 118.16 121.63 1n88 n LYS 33 Ca 0.47 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.52 1n88 n LYS 33 Cb 0.45 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.71 1n88 n LYS 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1n88 n ALA 34 N 0.00 0.62 -1.26 0.58 0.00 -1.17 -4.84 120.51 114.44 1n88 n ALA 34 Ca 0.00 -1.09 -0.38 0.00 0.00 0.00 0.00 53.44 51.96 1n88 n ALA 34 Cb 0.00 -2.95 0.02 0.00 0.00 0.00 0.00 19.45 16.52 1n88 n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n88 n THR 35 N 7.67 0.44 -0.46 0.00 -2.24 -1.26 -4.22 114.28 114.21 1n88 n THR 35 Ca 0.53 -0.49 0.38 0.00 -2.27 0.00 0.00 64.05 62.19 1n88 n THR 35 Cb 0.33 -0.14 0.67 0.00 -2.10 0.00 0.00 70.33 69.09 1n88 n THR 35 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1n88 h LYS 36 N -0.06 0.08 -0.05 -0.78 1.79 -1.91 0.93 116.57 116.56 1n88 h LYS 36 Ca -0.42 -0.01 -0.25 0.00 -2.18 0.00 0.00 60.65 57.79 1n88 h LYS 36 Cb 1.42 -0.02 0.02 0.00 -1.58 0.00 0.00 32.23 32.07 1n88 h LYS 36 CO 0.41 0.06 -0.95 1.15 -1.08 0.00 0.00 179.45 179.03 1n88 h THR 37 N 0.09 1.28 -0.73 -0.16 2.02 -1.93 -3.22 112.91 110.25 1n88 h THR 37 Ca 0.81 -2.16 0.08 0.00 0.77 0.00 0.00 66.41 65.91 1n88 h THR 37 Cb 2.64 2.25 -0.07 0.00 -1.74 0.00 0.00 68.15 71.23 1n88 h THR 37 CO -0.35 0.67 0.40 -0.33 0.37 0.00 0.00 175.52 176.28 1n88 h GLU 38 N 0.44 0.68 -0.23 6.66 4.39 0.63 0.13 114.58 127.28 1n88 h GLU 38 Ca -0.10 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.62 1n88 h GLU 38 Cb 1.60 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.09 1n88 h GLU 38 CO 0.19 0.45 0.16 0.82 -1.16 0.00 0.00 179.01 179.47 1n88 h ILE 39 N 0.70 0.91 -0.26 3.13 2.04 -1.42 -2.43 117.51 120.18 1n88 h ILE 39 Ca 0.34 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 66.19 1n88 h ILE 39 Cb 0.29 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1n88 h ILE 39 CO -0.23 0.01 0.17 0.50 0.00 0.00 0.00 178.15 178.60 1n88 h LYS 40 N 0.04 0.34 -0.91 2.37 3.64 -0.75 -2.69 116.57 118.61 1n88 h LYS 40 Ca 0.11 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1n88 h LYS 40 Cb 0.37 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 1n88 h LYS 40 CO -0.01 0.23 0.60 -0.91 -2.27 0.00 0.00 179.45 177.10 1n88 h ASN 41 N 0.35 0.96 0.03 4.20 2.35 -1.39 -1.04 115.58 121.03 1n88 h ASN 41 Ca 0.09 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1n88 h ASN 41 Cb -0.03 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.13 1n88 h ASN 41 CO -0.02 0.64 -0.01 0.00 -1.65 0.00 0.00 177.43 176.39 1n88 h ALA 42 N 1.48 -0.04 -0.34 -0.83 0.00 -1.57 -2.85 119.26 115.10 1n88 h ALA 42 Ca 0.38 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1n88 h ALA 42 Cb 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1n88 h ALA 42 CO -0.13 -0.18 0.03 -0.39 0.00 0.00 0.00 179.25 178.59 1n88 h VAL 43 N -0.72 1.25 -0.31 0.00 -1.51 -1.43 1.21 116.25 114.73 1n88 h VAL 43 Ca -0.00 -0.89 0.04 0.00 -1.23 0.00 0.00 66.70 64.62 1n88 h VAL 43 Cb 0.65 1.15 -0.04 0.00 -2.13 0.00 0.00 31.29 30.93 1n88 h VAL 43 CO 0.01 0.29 0.09 -0.08 -1.23 0.00 0.00 177.57 176.65 1n88 h GLU 44 N 0.41 0.21 0.04 5.19 4.22 -1.31 0.64 114.58 123.98 1n88 h GLU 44 Ca 0.10 -0.01 -0.07 0.00 0.08 0.00 0.00 59.36 59.46 1n88 h GLU 44 Cb 0.39 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1n88 h GLU 44 CO 0.01 0.14 -0.31 1.15 -2.18 0.00 0.00 179.01 177.82 1n88 h THR 45 N 0.21 1.65 0.36 0.32 2.02 -1.42 -1.56 112.91 114.51 1n88 h THR 45 Ca 0.14 -2.31 -0.02 0.00 0.77 0.00 0.00 66.41 64.99 1n88 h THR 45 Cb 0.13 3.19 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 1n88 h THR 45 CO -0.16 0.62 -0.18 0.00 0.37 0.00 0.00 175.52 176.17 1n88 h ALA 46 N 0.09 -0.71 0.00 6.16 0.00 0.16 -3.11 119.26 121.84 1n88 h ALA 46 Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1n88 h ALA 46 Cb 1.20 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1n88 h ALA 46 CO 0.06 -0.67 0.00 1.19 0.00 0.00 0.00 179.25 179.83 1n88 n PHE 47 N -4.05 0.00 -4.10 0.00 3.72 0.22 -4.86 117.46 108.39 1n88 n PHE 47 Ca -0.06 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.04 1n88 n PHE 47 Cb 0.19 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.49 1n88 n PHE 47 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1n88 n LYS 48 N -1.21 -2.99 -0.63 -1.08 5.02 -0.60 -4.85 118.16 111.83 1n88 n LYS 48 Ca 0.10 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1n88 n LYS 48 Cb 0.12 -4.65 0.00 0.00 -0.02 0.00 0.00 35.03 30.48 1n88 n LYS 48 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1n88 n VAL 49 N -4.42 0.00 -4.00 -0.18 3.14 -1.10 -5.00 118.33 106.77 1n88 n VAL 49 Ca -0.16 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 60.88 1n88 n VAL 49 Cb 0.61 -0.09 -0.15 0.00 -1.06 0.00 0.00 33.84 33.15 1n88 n VAL 49 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1n88 s LYS 50 N 0.14 2.55 -0.21 1.45 2.36 -1.26 -4.61 119.74 120.15 1n88 s LYS 50 Ca 0.00 -1.16 -0.29 0.00 -2.55 0.00 0.00 55.97 51.97 1n88 s LYS 50 Cb 0.00 -2.96 -0.00 0.00 -1.05 0.00 0.00 37.83 33.82 1n88 s LYS 50 CO 0.00 -0.49 1.16 0.08 1.55 0.00 0.00 175.35 177.64 1n88 s VAL 51 N 1.23 4.46 -0.18 4.02 1.01 -1.26 -3.79 120.40 125.88 1n88 s VAL 51 Ca -0.04 1.76 0.04 0.00 0.00 0.00 0.00 61.98 63.74 1n88 s VAL 51 Cb -0.18 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1n88 s VAL 51 CO -0.05 -0.19 0.17 0.52 0.00 0.00 0.00 175.10 175.55 1n88 n VAL 52 N 5.42 0.00 0.00 2.92 0.31 0.70 -4.90 118.33 122.79 1n88 n VAL 52 Ca 0.13 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1n88 n VAL 52 Cb 0.46 0.96 0.00 0.00 -0.91 0.00 0.00 33.84 34.34 1n88 n VAL 52 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1n88 n LYS 53 N -1.14 0.00 -4.21 5.55 5.02 -1.09 -4.92 118.16 117.37 1n88 n LYS 53 Ca 0.01 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.95 1n88 n LYS 53 Cb 0.07 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.99 1n88 n LYS 53 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1n88 s VAL 54 N 0.00 4.59 -0.16 -0.18 1.01 -1.25 0.84 120.40 125.25 1n88 s VAL 54 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1n88 s VAL 54 Cb 0.00 -2.98 0.04 0.00 0.00 0.00 0.00 36.38 33.44 1n88 s VAL 54 CO 0.00 0.56 -0.02 0.21 0.00 0.00 0.00 175.10 175.85 1n88 s ASN 55 N -0.49 2.64 0.09 3.32 3.84 0.74 -4.87 114.94 120.21 1n88 s ASN 55 Ca 0.09 -0.60 0.05 0.00 0.21 0.00 0.00 52.86 52.61 1n88 s ASN 55 Cb -0.12 -0.76 -0.04 0.00 -0.55 0.00 0.00 41.25 39.78 1n88 s ASN 55 CO 0.02 -0.21 0.01 0.42 -2.79 0.00 0.00 177.10 174.55 1n88 s THR 56 N 1.74 4.07 0.32 -5.21 -4.23 -1.25 0.31 115.64 111.38 1n88 s THR 56 Ca 0.01 -0.97 0.03 0.00 -1.18 0.00 0.00 61.69 59.57 1n88 s THR 56 Cb -0.15 -2.94 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 1n88 s THR 56 CO -0.07 0.12 0.09 0.18 -0.54 0.00 0.00 174.62 174.39 1n88 n LEU 57 N 0.54 0.00 -4.64 4.79 4.32 -0.19 -4.94 117.00 116.88 1n88 n LEU 57 Ca -0.10 -2.35 -0.42 0.00 -0.02 0.00 0.00 56.01 53.12 1n88 n LEU 57 Cb 0.52 0.69 -0.04 0.00 -1.62 0.00 0.00 43.42 42.97 1n88 n LEU 57 CO 0.40 -0.36 0.62 -2.28 -1.22 0.00 0.00 177.39 174.55 1n88 s HIS 58 N -2.64 3.30 -0.22 -1.77 2.46 -1.26 -3.26 115.29 111.90 1n88 s HIS 58 Ca 0.13 1.09 -0.05 0.00 0.47 0.00 0.00 55.06 56.70 1n88 s HIS 58 Cb 0.01 -3.03 -0.02 0.00 -0.13 0.00 0.00 32.58 29.40 1n88 s HIS 58 CO 0.09 -0.40 0.01 0.14 -2.47 0.00 0.00 174.74 172.11 1n88 s VAL 59 N 2.81 3.86 -0.15 0.89 -7.23 -1.25 -4.93 120.40 114.39 1n88 s VAL 59 Ca 0.34 -0.33 -0.28 0.00 -1.81 0.00 0.00 61.98 59.90 1n88 s VAL 59 Cb -0.15 -2.77 -0.13 0.00 0.56 0.00 0.00 36.38 33.89 1n88 s VAL 59 CO 0.08 0.40 0.84 0.54 -0.31 0.00 0.00 175.10 176.65 1n88 n ARG 60 N 4.61 0.00 0.00 4.82 3.00 -1.26 -4.40 116.66 123.43 1n88 n ARG 60 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.67 1n88 n ARG 60 Cb 0.51 -0.95 0.00 0.00 0.00 0.00 0.00 32.46 32.02 1n88 n ARG 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n88 n GLY 61 N 1.72 -1.82 3.85 -0.13 0.00 -1.26 -4.61 105.19 102.95 1n88 n GLY 61 Ca 0.16 0.83 -0.21 0.00 0.00 0.00 0.00 46.02 46.80 1n88 n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n88 n LYS 62 N 0.00 0.28 0.25 1.61 5.02 -1.16 -3.46 118.16 120.70 1n88 n LYS 62 Ca 0.00 -2.90 0.16 0.00 -2.02 0.00 0.00 58.31 53.55 1n88 n LYS 62 Cb 0.00 -0.43 0.55 0.00 -0.02 0.00 0.00 35.03 35.12 1n88 n LYS 62 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1n88 h LYS 63 N 0.00 0.00 -5.05 1.97 3.64 -1.86 -3.38 116.57 111.89 1n88 h LYS 63 Ca -0.29 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.60 1n88 h LYS 63 Cb 1.22 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.96 1n88 h LYS 63 CO 0.37 0.00 1.76 1.17 -2.27 0.00 0.00 179.45 180.48 1n88 n LYS 64 N -3.04 0.09 -0.24 1.90 3.00 -1.26 -4.69 118.16 113.92 1n88 n LYS 64 Ca 0.02 -0.01 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 1n88 n LYS 64 Cb 0.36 -1.63 0.15 0.00 0.00 0.00 0.00 35.03 33.91 1n88 n LYS 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1n88 n ARG 65 N 8.30 1.30 -1.45 1.64 1.74 -1.26 -3.98 116.66 122.95 1n88 n ARG 65 Ca 0.64 -2.71 -0.49 0.00 -0.77 0.00 0.00 57.85 54.52 1n88 n ARG 65 Cb 0.08 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 1n88 n ARG 65 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1n88 n LEU 66 N -1.29 -0.48 -4.48 0.55 7.94 -1.26 -4.55 117.00 113.42 1n88 n LEU 66 Ca 0.16 1.14 -0.13 0.00 -1.11 0.00 0.00 56.01 56.08 1n88 n LEU 66 Cb 0.66 -1.01 -0.10 0.00 0.53 0.00 0.00 43.42 43.50 1n88 n LEU 66 CO -0.00 -2.52 1.21 0.61 -1.11 0.00 0.00 177.39 175.57 1n88 n GLY 67 N 1.83 -0.31 3.22 -3.96 0.00 -1.26 -4.67 105.19 100.04 1n88 n GLY 67 Ca 0.17 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 1n88 n GLY 67 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1n88 s ARG 68 N 8.03 1.25 0.58 1.61 1.70 -1.26 -5.11 118.95 125.76 1n88 s ARG 68 Ca 0.79 -0.89 -0.20 0.00 -0.47 0.00 0.00 55.73 54.96 1n88 s ARG 68 Cb -0.15 -1.34 -0.04 0.00 -0.57 0.00 0.00 34.95 32.85 1n88 s ARG 68 CO 0.17 0.34 1.29 2.48 -1.08 0.00 0.00 175.30 178.49 1n88 n TYR 69 N 1.84 1.99 -4.41 5.89 4.11 -1.26 -2.37 117.16 122.95 1n88 n TYR 69 Ca -0.17 0.43 -0.38 0.00 -0.00 0.00 0.00 57.90 57.78 1n88 n TYR 69 Cb 0.54 -2.30 -0.07 0.00 -0.00 0.00 0.00 39.34 37.50 1n88 n TYR 69 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.86 176.75 1n88 n LEU 70 N -1.25 -1.08 0.00 -3.48 7.94 -1.26 -4.87 117.00 113.01 1n88 n LEU 70 Ca 0.13 -1.21 0.00 0.00 -1.11 0.00 0.00 56.01 53.82 1n88 n LEU 70 Cb 0.46 -1.71 0.00 0.00 0.53 0.00 0.00 43.42 42.70 1n88 n LEU 70 CO 0.51 0.24 0.00 0.61 -1.11 0.00 0.00 177.39 177.64 1n88 n GLY 71 N -1.54 1.52 3.14 -3.96 0.00 -1.00 -5.00 105.19 98.36 1n88 n GLY 71 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 1n88 n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n88 n LYS 72 N 0.00 -1.57 -3.47 1.61 5.02 -1.26 -4.94 118.16 113.55 1n88 n LYS 72 Ca 0.00 1.51 -0.43 0.00 -2.02 0.00 0.00 58.31 57.37 1n88 n LYS 72 Cb 0.00 -5.14 -0.10 0.00 -0.02 0.00 0.00 35.03 29.78 1n88 n LYS 72 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1n88 s ARG 73 N -3.17 2.93 0.00 1.97 0.52 -1.26 -5.06 118.95 114.88 1n88 s ARG 73 Ca 0.06 -1.14 0.00 0.00 -0.52 0.00 0.00 55.73 54.13 1n88 s ARG 73 Cb -0.01 -3.98 0.00 0.00 0.52 0.00 0.00 34.95 31.48 1n88 s ARG 73 CO 0.78 -0.83 0.00 -0.35 0.02 0.00 0.00 175.30 174.92 1n88 n PRO 74 N 5.14 0.26 -3.77 3.54 -0.04 -1.26 -3.74 135.00 135.13 1n88 n PRO 74 Ca -0.11 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.00 1n88 n PRO 74 Cb 0.46 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.81 1n88 n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n88 s ASP 75 N -1.29 5.03 0.20 3.54 1.11 -1.23 -2.96 116.67 121.08 1n88 s ASP 75 Ca 0.00 -2.92 -0.03 0.00 0.18 0.00 0.00 52.55 49.78 1n88 s ASP 75 Cb 0.00 -1.81 -0.05 0.00 1.07 0.00 0.00 42.92 42.13 1n88 s ASP 75 CO 0.00 -0.33 0.42 0.00 1.18 0.00 0.00 175.17 176.44 1n88 s ARG 76 N -0.16 3.57 -0.00 8.23 3.03 -1.26 -4.06 118.95 128.30 1n88 s ARG 76 Ca 0.17 -0.20 0.07 0.00 2.03 0.00 0.00 55.73 57.81 1n88 s ARG 76 Cb -0.21 -2.80 -0.02 0.00 -1.03 0.00 0.00 34.95 30.88 1n88 s ARG 76 CO -0.03 0.39 -0.22 0.21 -1.13 0.00 0.00 175.30 174.52 1n88 s LYS 77 N -3.16 1.72 -0.16 3.89 2.20 0.68 -3.96 119.74 120.95 1n88 s LYS 77 Ca 0.40 -0.84 -0.08 0.00 -0.36 0.00 0.00 55.97 55.10 1n88 s LYS 77 Cb -0.11 -1.71 -0.04 0.00 -1.51 0.00 0.00 37.83 34.46 1n88 s LYS 77 CO 0.28 0.46 0.11 0.21 -0.36 0.00 0.00 175.35 176.05 1n88 s LYS 78 N -0.68 3.79 -0.14 4.03 2.20 -1.20 0.27 119.74 128.01 1n88 s LYS 78 Ca 0.09 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 1n88 s LYS 78 Cb -0.09 -3.25 0.02 0.00 -1.51 0.00 0.00 37.83 33.00 1n88 s LYS 78 CO -0.00 0.49 -0.14 0.00 -0.36 0.00 0.00 175.35 175.34 1n88 s ALA 79 N -0.22 1.82 -0.40 3.13 0.00 0.25 -1.02 121.76 125.31 1n88 s ALA 79 Ca 0.10 -0.87 -0.18 0.00 0.00 0.00 0.00 51.96 51.01 1n88 s ALA 79 Cb -0.12 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 21.98 1n88 s ALA 79 CO 0.01 -0.36 0.47 0.42 0.00 0.00 0.00 175.76 176.29 1n88 s ILE 80 N 1.47 5.05 -0.11 0.00 1.01 0.90 0.26 121.20 129.77 1n88 s ILE 80 Ca 0.04 -0.11 -0.14 0.00 0.00 0.00 0.00 60.65 60.45 1n88 s ILE 80 Cb -0.13 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 1n88 s ILE 80 CO -0.10 -0.37 0.32 -0.69 0.00 0.00 0.00 174.94 174.11 1n88 s VAL 81 N 2.26 5.25 0.01 2.92 1.01 0.21 0.26 120.40 132.32 1n88 s VAL 81 Ca 0.15 0.63 0.04 0.00 0.00 0.00 0.00 61.98 62.79 1n88 s VAL 81 Cb -0.16 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1n88 s VAL 81 CO 0.14 0.45 -0.10 -1.58 0.00 0.00 0.00 175.10 174.02 1n88 s GLN 82 N -0.04 2.45 0.18 2.72 2.00 0.25 0.16 119.66 127.38 1n88 s GLN 82 Ca 0.19 -0.77 0.08 0.00 -2.00 0.00 0.00 55.36 52.86 1n88 s GLN 82 Cb -0.14 -2.43 -0.04 0.00 0.80 0.00 0.00 33.01 31.20 1n88 s GLN 82 CO 0.07 0.59 -0.17 0.14 -0.50 0.00 0.00 175.29 175.42 1n88 s VAL 83 N -0.96 1.82 1.03 1.34 -7.23 -1.16 0.25 120.40 115.49 1n88 s VAL 83 Ca 0.16 -2.02 -0.18 0.00 -1.81 0.00 0.00 61.98 58.13 1n88 s VAL 83 Cb -0.11 -1.91 0.05 0.00 0.56 0.00 0.00 36.38 34.97 1n88 s VAL 83 CO 0.06 -0.40 -0.27 0.00 -0.31 0.00 0.00 175.10 174.19 1n88 n ALA 84 N 0.06 -3.04 -1.16 1.32 0.00 -1.25 -4.72 120.51 111.72 1n88 n ALA 84 Ca -0.11 -1.18 -0.27 0.00 0.00 0.00 0.00 53.44 51.88 1n88 n ALA 84 Cb 0.58 -1.07 -0.09 0.00 0.00 0.00 0.00 19.45 18.87 1n88 n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1n88 n PRO 85 N -0.72 2.92 0.00 0.00 -0.04 -1.26 -3.43 135.00 132.47 1n88 n PRO 85 Ca 0.01 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 1n88 n PRO 85 Cb 0.54 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1n88 n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n88 n GLY 86 N 3.09 0.13 3.95 0.55 0.00 -1.26 -5.14 105.19 106.51 1n88 n GLY 86 Ca 0.62 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 46.34 1n88 n GLY 86 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n88 s GLN 87 N -0.88 2.30 0.00 1.61 0.00 -1.22 -5.13 119.66 116.34 1n88 s GLN 87 Ca 0.00 -1.83 0.00 0.00 -0.00 0.00 0.00 55.36 53.53 1n88 s GLN 87 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 33.01 30.68 1n88 s GLN 87 CO 0.00 -0.67 0.00 0.36 0.00 0.00 0.00 175.29 174.98 1n88 n LYS 88 N -1.93 0.00 -1.51 9.60 2.85 -1.26 -4.70 118.16 121.20 1n88 n LYS 88 Ca 0.05 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.02 1n88 n LYS 88 Cb 0.63 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.85 1n88 n LYS 88 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1n88 n ILE 89 N 0.00 -0.01 0.15 0.58 5.41 -1.26 -4.66 119.36 119.57 1n88 n ILE 89 Ca 0.00 -0.34 0.08 0.00 1.00 0.00 0.00 62.75 63.49 1n88 n ILE 89 Cb 0.00 -0.69 0.45 0.00 -0.71 0.00 0.00 39.64 38.69 1n88 n ILE 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1n88 n GLU 90 N 7.35 0.11 0.01 0.38 1.02 -1.26 -1.98 120.64 126.27 1n88 n GLU 90 Ca 0.62 0.59 0.19 0.00 -0.02 0.00 0.00 57.16 58.54 1n88 n GLU 90 Cb 0.17 -1.97 0.68 0.00 -0.02 0.00 0.00 31.44 30.31 1n88 n GLU 90 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n88 h ALA 91 N 1.69 2.46 0.00 0.62 0.00 -1.94 -2.11 119.26 119.98 1n88 h ALA 91 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1n88 h ALA 91 Cb 0.22 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1n88 h ALA 91 CO 0.00 -0.60 -1.76 1.28 0.00 0.00 0.00 179.25 178.16 1n88 n LEU 92 N -4.39 0.00 0.15 0.00 4.77 -0.84 -4.37 117.00 112.32 1n88 n LEU 92 Ca 0.09 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.24 1n88 n LEU 92 Cb 0.57 0.11 0.76 0.00 -2.33 0.00 0.00 43.42 42.53 1n88 n LEU 92 CO 0.37 0.11 1.15 -0.33 -1.33 0.00 0.00 177.39 177.35 1n88 h GLU 93 N 0.00 0.00 -0.38 3.23 4.39 -1.37 0.93 114.58 121.38 1n88 h GLU 93 Ca -0.12 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 1n88 h GLU 93 Cb 1.06 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 1n88 h GLU 93 CO 0.01 0.00 0.03 0.41 -1.16 0.00 0.00 179.01 178.30 1n88 n GLY 94 N -1.50 3.94 1.01 -3.84 0.00 -1.14 -4.40 105.19 99.27 1n88 n GLY 94 Ca 0.03 -1.04 0.12 0.00 0.00 0.00 0.00 46.02 45.13 1n88 n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1n88 n LEU 95 N -0.37 3.10 -0.03 0.99 7.94 0.32 -5.12 117.00 123.84 1n88 n LEU 95 Ca 0.26 -1.17 0.16 0.00 -1.11 0.00 0.00 56.01 54.15 1n88 n LEU 95 Cb 1.03 -0.10 0.93 0.00 0.53 0.00 0.00 43.42 45.80 1n88 n LEU 95 CO 0.22 0.59 1.10 -0.38 -1.11 0.00 0.00 177.39 177.81