#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n88 s LYS 2 N 0.00 3.58 0.28 2.12 -0.14 -1.26 -4.85 119.74 119.47 1n88 s LYS 2 Ca 0.00 0.28 0.20 0.00 -1.36 0.00 0.00 55.97 55.09 1n88 s LYS 2 Cb 0.00 -3.95 0.94 0.00 -1.68 0.00 0.00 37.83 33.15 1n88 s LYS 2 CO 0.00 -1.37 0.99 2.41 -0.76 0.00 0.00 175.35 176.61 1n88 n THR 3 N 6.60 -0.16 -0.63 2.17 -1.04 -1.26 0.30 114.28 120.25 1n88 n THR 3 Ca 0.08 1.14 -0.39 0.00 -2.04 0.00 0.00 64.05 62.84 1n88 n THR 3 Cb 0.49 -1.87 -0.09 0.00 -1.82 0.00 0.00 70.33 67.04 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 -2.55 1.64 -2.63 2.41 0.00 -1.26 -4.14 120.51 113.98 1n88 n ALA 4 Ca 0.25 -2.57 -0.16 0.00 0.00 0.00 0.00 53.44 50.97 1n88 n ALA 4 Cb 0.99 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 16.84 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 8.04 -0.72 -3.03 0.00 4.11 -0.89 0.22 117.16 124.89 1n88 n TYR 5 Ca 0.43 0.25 -0.13 0.00 -0.00 0.00 0.00 57.90 58.45 1n88 n TYR 5 Cb 0.36 -0.83 0.06 0.00 -0.00 0.00 0.00 39.34 38.94 1n88 n TYR 5 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1n88 n ASP 6 N -0.85 -4.32 0.00 9.48 2.03 0.86 -4.91 116.55 118.84 1n88 n ASP 6 Ca 0.04 -0.55 0.00 0.00 0.52 0.00 0.00 54.79 54.80 1n88 n ASP 6 Cb 0.24 -4.35 0.00 0.00 -0.72 0.00 0.00 41.12 36.29 1n88 n ASP 6 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1n88 n VAL 7 N -3.18 0.00 -1.51 5.18 0.31 0.60 -4.67 118.33 115.06 1n88 n VAL 7 Ca -0.13 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.82 1n88 n VAL 7 Cb 0.61 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.58 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 2.59 0.00 2.52 5.41 -1.26 -4.30 119.36 124.32 1n88 n ILE 8 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 1n88 n ILE 8 Cb 0.00 -0.81 0.00 0.00 -0.71 0.00 0.00 39.64 38.12 1n88 n ILE 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1n88 n LEU 9 N 0.24 0.00 -4.83 1.39 -0.00 -1.17 -4.60 117.00 108.02 1n88 n LEU 9 Ca 0.12 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.76 1n88 n LEU 9 Cb 0.46 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.82 1n88 n LEU 9 CO 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 177.39 177.87 1n88 s ALA 10 N -1.85 3.76 1.00 1.47 0.00 -1.26 -4.90 121.76 119.98 1n88 s ALA 10 Ca 0.00 -0.44 -0.15 0.00 0.00 0.00 0.00 51.96 51.37 1n88 s ALA 10 Cb 0.00 -2.21 0.19 0.00 0.00 0.00 0.00 23.12 21.10 1n88 s ALA 10 CO 0.00 0.47 1.16 -1.25 0.00 0.00 0.00 175.76 176.14 1n88 s PRO 11 N -0.77 0.37 -0.18 0.00 0.04 -1.26 -2.05 135.00 131.15 1n88 s PRO 11 Ca 0.19 0.08 -0.06 0.00 0.04 0.00 0.00 61.00 61.24 1n88 s PRO 11 Cb -0.14 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1n88 s PRO 11 CO 0.08 -2.68 0.04 0.14 0.04 0.00 0.00 177.00 174.62 1n88 s VAL 12 N -3.30 4.51 -0.42 -0.36 -7.23 -0.53 -4.79 120.40 108.27 1n88 s VAL 12 Ca 0.68 -0.13 -0.12 0.00 -1.81 0.00 0.00 61.98 60.59 1n88 s VAL 12 Cb -0.12 -3.02 0.05 0.00 0.56 0.00 0.00 36.38 33.85 1n88 s VAL 12 CO 0.54 0.46 0.29 -0.76 -0.31 0.00 0.00 175.10 175.32 1n88 s LEU 13 N 0.46 5.15 -0.07 1.32 2.01 -1.26 -4.70 118.68 121.58 1n88 s LEU 13 Ca 0.01 -1.23 -0.28 0.00 0.01 0.00 0.00 54.13 52.64 1n88 s LEU 13 Cb -0.13 -2.07 0.07 0.00 0.01 0.00 0.00 46.19 44.06 1n88 s LEU 13 CO 0.01 -0.51 0.65 -0.44 1.01 0.00 0.00 176.35 177.06 1n88 s SER 14 N 2.03 -0.62 0.22 2.29 0.01 -1.26 -4.99 113.70 111.38 1n88 s SER 14 Ca 0.03 0.75 -0.17 0.00 1.31 0.00 0.00 55.95 57.87 1n88 s SER 14 Cb -0.22 0.63 0.23 0.00 0.21 0.00 0.00 66.02 66.88 1n88 s SER 14 CO 0.06 -0.54 1.58 -0.33 0.41 0.00 0.00 173.24 174.41 1n88 h GLU 15 N 3.36 -0.06 -0.90 12.44 4.39 -1.97 0.79 114.58 132.62 1n88 h GLU 15 Ca -0.27 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.54 1n88 h GLU 15 Cb 1.15 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.73 1n88 h GLU 15 CO 0.35 -0.04 0.54 0.87 -1.16 0.00 0.00 179.01 179.56 1n88 h LYS 16 N -0.06 0.83 0.28 2.33 1.57 -1.96 0.72 116.57 120.28 1n88 h LYS 16 Ca 0.32 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1n88 h LYS 16 Cb 0.58 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1n88 h LYS 16 CO -0.83 0.55 -0.14 0.00 -0.57 0.00 0.00 179.45 178.46 1n88 h ALA 17 N 1.50 -0.44 -1.23 3.86 0.00 -0.06 -0.53 119.26 122.36 1n88 h ALA 17 Ca 0.45 -0.08 0.35 0.00 0.00 0.00 0.00 54.91 55.63 1n88 h ALA 17 Cb 0.45 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1n88 h ALA 17 CO -0.27 -0.41 0.85 1.88 0.00 0.00 0.00 179.25 181.30 1n88 h TYR 18 N -0.93 0.29 -0.00 0.00 0.05 0.22 2.63 116.97 119.23 1n88 h TYR 18 Ca -0.04 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1n88 h TYR 18 Cb 0.29 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.95 1n88 h TYR 18 CO 0.01 -0.01 -0.45 0.00 -1.05 0.00 0.00 178.16 176.65 1n88 n ALA 19 N -2.65 3.47 -0.08 3.88 0.00 0.23 -3.00 120.51 122.36 1n88 n ALA 19 Ca 0.29 -0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 1n88 n ALA 19 Cb 1.23 -1.11 -0.09 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.32 0.24 0.00 0.00 0.60 -4.36 105.19 102.80 1n88 n GLY 20 Ca 0.07 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.09 1.61 -0.00 0.36 -3.00 116.94 115.82 1n88 h PHE 21 Ca -0.38 0.00 0.03 0.00 -0.00 0.00 0.00 57.97 57.61 1n88 h PHE 21 Cb 1.64 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.59 1n88 h PHE 21 CO 0.02 0.00 0.23 0.00 -0.00 0.00 0.00 178.31 178.55 1n88 h ALA 22 N 2.07 1.46 -0.28 12.09 0.00 -1.67 0.28 119.26 133.21 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 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1n88 h ALA 22 CO 0.00 -0.27 0.00 -1.91 0.00 0.00 0.00 179.25 177.07 1n88 n GLU 23 N -3.26 2.44 -0.43 0.00 2.13 -1.13 -4.79 120.64 115.59 1n88 n GLU 23 Ca -0.00 -1.33 0.00 0.00 0.66 0.00 0.00 57.16 56.49 1n88 n GLU 23 Cb 0.31 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.36 1n88 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1n88 n GLY 24 N 0.50 0.74 3.77 8.31 0.00 0.93 -4.82 105.19 114.61 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 -0.57 4.67 -0.32 1.61 1.02 -0.88 -3.14 119.74 122.13 1n88 s LYS 25 Ca 0.00 1.27 0.01 0.00 0.02 0.00 0.00 55.97 57.27 1n88 s LYS 25 Cb 0.00 -3.27 0.10 0.00 -0.52 0.00 0.00 37.83 34.14 1n88 s LYS 25 CO 0.00 0.54 0.08 0.71 -0.92 0.00 0.00 175.35 175.76 1n88 s TYR 26 N -1.09 2.45 -0.33 3.18 2.02 0.72 -3.96 117.35 120.34 1n88 s TYR 26 Ca 0.38 -2.19 -0.28 0.00 -0.37 0.00 0.00 57.07 54.60 1n88 s TYR 26 Cb -0.24 -2.15 0.02 0.00 -0.40 0.00 0.00 41.96 39.19 1n88 s TYR 26 CO 0.28 -0.90 1.05 0.99 -1.57 0.00 0.00 175.55 175.40 1n88 s THR 27 N 1.36 4.52 0.32 -0.71 2.01 -1.16 0.67 115.64 122.65 1n88 s THR 27 Ca 0.10 1.66 0.10 0.00 0.31 0.00 0.00 61.69 63.87 1n88 s THR 27 Cb -0.18 -4.40 -0.06 0.00 0.01 0.00 0.00 72.50 67.87 1n88 s THR 27 CO -0.19 -0.48 -0.11 -0.36 -0.69 0.00 0.00 174.62 172.79 1n88 s PHE 28 N 3.62 2.40 -0.26 4.92 0.40 0.79 -1.46 117.98 128.39 1n88 s PHE 28 Ca 0.44 -0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 56.23 1n88 s PHE 28 Cb -0.12 -1.27 -0.05 0.00 0.51 0.00 0.00 43.02 42.09 1n88 s PHE 28 CO 0.16 0.62 0.22 -1.58 0.70 0.00 0.00 175.22 175.34 1n88 s TRP 29 N -2.56 3.27 0.23 0.36 0.52 -0.87 0.26 118.94 120.15 1n88 s TRP 29 Ca 0.32 0.24 0.04 0.00 0.02 0.00 0.00 56.10 56.71 1n88 s TRP 29 Cb -0.01 -2.38 -0.05 0.00 -1.15 0.00 0.00 33.47 29.88 1n88 s TRP 29 CO 0.17 -0.08 -0.01 0.54 0.02 0.00 0.00 176.95 177.58 1n88 s VAL 30 N 1.54 1.04 0.58 4.03 0.11 0.18 -3.02 120.40 124.86 1n88 s VAL 30 Ca 0.09 -2.04 -0.20 0.00 -2.93 0.00 0.00 61.98 56.90 1n88 s VAL 30 Cb -0.15 -2.32 -0.03 0.00 -1.53 0.00 0.00 36.38 32.35 1n88 s VAL 30 CO 0.08 -0.34 1.34 -1.00 -3.33 0.00 0.00 175.10 171.85 1n88 s HIS 31 N -3.42 2.19 -0.96 1.54 3.76 -1.26 -3.40 115.29 113.75 1n88 s HIS 31 Ca 0.28 1.41 -0.20 0.00 -0.15 0.00 0.00 55.06 56.39 1n88 s HIS 31 Cb 0.05 -3.78 -0.10 0.00 1.11 0.00 0.00 32.58 29.86 1n88 s HIS 31 CO 0.08 -2.95 1.99 -0.35 -0.85 0.00 0.00 174.74 172.66 1n88 n PRO 32 N -1.35 1.85 0.00 8.40 -0.04 -1.26 -2.88 135.00 139.72 1n88 n PRO 32 Ca 0.12 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 1n88 n PRO 32 Cb 0.46 -3.07 0.00 0.00 -0.04 0.00 0.00 33.50 30.85 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 6.93 0.00 -1.49 0.54 -0.00 -1.26 -5.09 118.16 117.79 1n88 n LYS 33 Ca 0.50 0.00 -0.47 0.00 -0.00 0.00 0.00 58.31 58.34 1n88 n LYS 33 Cb 0.41 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.38 1n88 n LYS 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1n88 n ALA 34 N 0.00 1.17 -0.95 0.58 0.00 -1.14 -4.92 120.51 115.25 1n88 n ALA 34 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 53.44 53.22 1n88 n ALA 34 Cb 0.00 -2.69 0.02 0.00 0.00 0.00 0.00 19.45 16.78 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 7.43 0.00 0.03 0.00 -2.24 -1.26 -4.70 114.28 113.54 1n88 n THR 35 Ca 0.40 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.99 1n88 n THR 35 Cb 0.30 -0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 68.34 1n88 n THR 35 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1n88 h LYS 36 N 0.00 0.41 -0.17 -0.78 1.63 -1.92 -3.09 116.57 112.65 1n88 h LYS 36 Ca -0.03 -0.52 -0.12 0.00 -0.85 0.00 0.00 60.65 59.13 1n88 h LYS 36 Cb 0.09 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1n88 h LYS 36 CO 0.02 1.19 -0.36 1.15 -3.45 0.00 0.00 179.45 177.99 1n88 h THR 37 N -0.12 1.34 -0.52 1.00 2.02 -1.93 -3.19 112.91 111.51 1n88 h THR 37 Ca -0.11 -1.61 0.07 0.00 0.77 0.00 0.00 66.41 65.53 1n88 h THR 37 Cb 1.50 1.94 -0.06 0.00 -1.74 0.00 0.00 68.15 69.79 1n88 h THR 37 CO 0.15 0.49 0.21 -0.33 0.37 0.00 0.00 175.52 176.41 1n88 h GLU 38 N 0.20 0.39 -0.35 6.66 5.08 -1.92 -0.10 114.58 124.54 1n88 h GLU 38 Ca 0.00 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1n88 h GLU 38 Cb 0.96 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1n88 h GLU 38 CO 0.08 0.26 0.25 0.82 -1.00 0.00 0.00 179.01 179.42 1n88 h ILE 39 N 0.40 0.85 -0.54 3.13 2.04 -1.56 -2.11 117.51 119.73 1n88 h ILE 39 Ca 0.25 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 66.10 1n88 h ILE 39 Cb 0.24 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1n88 h ILE 39 CO -0.23 0.01 0.36 0.50 0.00 0.00 0.00 178.15 178.78 1n88 h LYS 40 N 0.05 0.71 -0.72 2.37 3.64 -0.99 -2.93 116.57 118.69 1n88 h LYS 40 Ca 0.17 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1n88 h LYS 40 Cb 0.60 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1n88 h LYS 40 CO -0.01 0.47 0.48 -0.91 -2.27 0.00 0.00 179.45 177.20 1n88 h ASN 41 N 0.73 0.71 0.01 4.20 2.35 -1.36 -1.42 115.58 120.79 1n88 h ASN 41 Ca 0.20 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1n88 h ASN 41 Cb -0.08 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.13 1n88 h ASN 41 CO -0.04 0.48 -0.00 0.00 -1.65 0.00 0.00 177.43 176.21 1n88 h ALA 42 N 1.59 -0.01 -0.39 -0.83 0.00 -1.61 -2.97 119.26 115.04 1n88 h ALA 42 Ca 0.30 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1n88 h ALA 42 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1n88 h ALA 42 CO -0.09 -0.17 -0.06 -0.24 0.00 0.00 0.00 179.25 178.68 1n88 h VAL 43 N -0.67 1.27 -0.83 0.00 3.04 -1.48 0.24 116.25 117.82 1n88 h VAL 43 Ca -0.00 -1.12 0.07 0.00 -1.01 0.00 0.00 66.70 64.63 1n88 h VAL 43 Cb 0.66 1.20 -0.06 0.00 -2.01 0.00 0.00 31.29 31.07 1n88 h VAL 43 CO 0.00 0.38 0.50 -0.08 -1.01 0.00 0.00 177.57 177.36 1n88 h GLU 44 N 0.55 0.88 0.07 4.17 4.22 -1.37 0.24 114.58 123.34 1n88 h GLU 44 Ca 0.10 -0.05 -0.11 0.00 0.08 0.00 0.00 59.36 59.38 1n88 h GLU 44 Cb 0.57 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1n88 h GLU 44 CO 0.03 0.58 -0.47 1.79 -2.18 0.00 0.00 179.01 178.77 1n88 h THR 45 N 0.90 1.61 0.20 0.32 1.35 -1.40 -1.26 112.91 114.63 1n88 h THR 45 Ca 0.37 -2.38 -0.01 0.00 -0.55 0.00 0.00 66.41 63.85 1n88 h THR 45 Cb 0.21 3.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.81 1n88 h THR 45 CO -0.19 0.65 -0.10 0.00 -0.25 0.00 0.00 175.52 175.64 1n88 h ALA 46 N 0.09 -0.96 0.00 6.62 0.00 -0.28 -2.93 119.26 121.80 1n88 h ALA 46 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1n88 h ALA 46 Cb 1.33 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1n88 h ALA 46 CO 0.09 -0.94 0.00 1.19 0.00 0.00 0.00 179.25 179.59 1n88 n PHE 47 N -2.79 0.00 -4.33 0.00 3.72 0.82 -4.85 117.46 110.04 1n88 n PHE 47 Ca -0.03 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.00 1n88 n PHE 47 Cb 0.11 -0.19 -0.06 0.00 -0.94 0.00 0.00 39.48 38.40 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 -1.19 -1.92 -0.98 -1.08 5.02 -0.48 -4.91 118.16 112.61 1n88 n LYS 48 Ca 0.11 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 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 -4.30 0.00 -3.74 -0.18 3.14 -1.17 -5.01 118.33 107.07 1n88 n VAL 49 Ca -0.02 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 60.98 1n88 n VAL 49 Cb 0.53 -0.38 -0.12 0.00 -1.06 0.00 0.00 33.84 32.81 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 -0.51 2.60 -0.20 1.45 2.36 -1.26 -4.76 119.74 119.42 1n88 s LYS 50 Ca 0.00 -1.22 -0.29 0.00 -2.55 0.00 0.00 55.97 51.91 1n88 s LYS 50 Cb 0.00 -3.50 -0.00 0.00 -1.05 0.00 0.00 37.83 33.28 1n88 s LYS 50 CO 0.00 -0.71 1.17 0.08 1.55 0.00 0.00 175.35 177.44 1n88 s VAL 51 N 1.40 4.44 -0.67 4.02 1.01 -1.26 -3.72 120.40 125.62 1n88 s VAL 51 Ca -0.01 1.74 0.09 0.00 0.00 0.00 0.00 61.98 63.80 1n88 s VAL 51 Cb -0.20 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1n88 s VAL 51 CO 0.03 -0.18 0.51 0.52 0.00 0.00 0.00 175.10 175.97 1n88 n VAL 52 N 5.41 0.00 0.00 2.92 0.31 0.56 -4.90 118.33 122.63 1n88 n VAL 52 Ca 0.13 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1n88 n VAL 52 Cb 0.45 1.07 0.00 0.00 -0.91 0.00 0.00 33.84 34.45 1n88 n VAL 52 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1n88 n LYS 53 N -0.64 0.00 -3.83 5.55 -0.00 -1.02 -4.90 118.16 113.31 1n88 n LYS 53 Ca 0.03 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.08 1n88 n LYS 53 Cb 0.17 0.00 -0.17 0.00 -0.00 0.00 0.00 35.03 35.03 1n88 n LYS 53 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1n88 s VAL 54 N -0.60 0.73 -0.23 0.58 1.01 -1.25 0.25 120.40 120.89 1n88 s VAL 54 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 1n88 s VAL 54 Cb 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.54 1n88 s VAL 54 CO 0.00 0.24 -0.11 0.20 0.00 0.00 0.00 175.10 175.43 1n88 s ASN 55 N 1.82 3.99 0.13 3.32 -0.87 0.54 -4.85 114.94 119.01 1n88 s ASN 55 Ca 0.04 -0.88 0.09 0.00 -1.57 0.00 0.00 52.86 50.54 1n88 s ASN 55 Cb -0.13 -1.59 -0.04 0.00 -0.02 0.00 0.00 41.25 39.47 1n88 s ASN 55 CO -0.07 -0.10 -0.17 0.28 -2.57 0.00 0.00 177.10 174.48 1n88 s THR 56 N 1.28 2.89 -0.08 1.60 -1.32 -1.26 0.26 115.64 119.01 1n88 s THR 56 Ca 0.00 -1.56 -0.10 0.00 -1.21 0.00 0.00 61.69 58.82 1n88 s THR 56 Cb -0.16 -2.35 0.02 0.00 -1.51 0.00 0.00 72.50 68.50 1n88 s THR 56 CO -0.07 0.05 0.27 -1.48 -2.21 0.00 0.00 174.62 171.18 1n88 s LEU 57 N -2.30 0.98 0.08 9.08 0.05 0.85 -4.93 118.68 122.49 1n88 s LEU 57 Ca 0.19 0.39 -0.31 0.00 0.05 0.00 0.00 54.13 54.45 1n88 s LEU 57 Cb -0.10 0.99 -0.08 0.00 -2.05 0.00 0.00 46.19 44.95 1n88 s LEU 57 CO 0.11 -0.19 1.51 -1.00 -0.55 0.00 0.00 176.35 176.22 1n88 s HIS 58 N -0.30 2.85 -0.26 3.48 3.76 -1.26 -0.99 115.29 122.57 1n88 s HIS 58 Ca -0.04 0.66 0.03 0.00 -0.15 0.00 0.00 55.06 55.55 1n88 s HIS 58 Cb -0.03 -3.81 0.06 0.00 1.11 0.00 0.00 32.58 29.91 1n88 s HIS 58 CO 0.01 -3.06 -0.11 0.14 -0.85 0.00 0.00 174.74 170.87 1n88 s VAL 59 N 1.93 2.14 -0.31 -0.90 -7.23 0.73 -4.90 120.40 111.85 1n88 s VAL 59 Ca 0.68 -1.60 -0.14 0.00 -1.81 0.00 0.00 61.98 59.11 1n88 s VAL 59 Cb -0.38 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 1n88 s VAL 59 CO 0.30 -0.01 0.33 -0.13 -0.31 0.00 0.00 175.10 175.28 1n88 s ARG 60 N 1.12 3.75 0.00 4.82 1.81 -1.26 -3.57 118.95 125.62 1n88 s ARG 60 Ca -0.08 -0.28 0.00 0.00 -1.72 0.00 0.00 55.73 53.65 1n88 s ARG 60 Cb -0.20 -3.74 0.00 0.00 -0.45 0.00 0.00 34.95 30.56 1n88 s ARG 60 CO -0.05 -0.40 0.00 0.41 -0.68 0.00 0.00 175.30 174.58 1n88 n GLY 61 N 4.90 2.40 1.17 -3.53 0.00 -1.26 -4.92 105.19 103.95 1n88 n GLY 61 Ca -0.10 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1n88 n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1n88 n LYS 62 N 0.00 0.00 -4.17 1.61 4.81 -1.26 -4.97 118.16 114.18 1n88 n LYS 62 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 1n88 n LYS 62 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 1n88 n LYS 62 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1n88 n LYS 63 N -2.65 0.89 -1.46 1.64 4.01 -1.26 -5.07 118.16 114.26 1n88 n LYS 63 Ca 0.00 -3.03 -0.51 0.00 -0.51 0.00 0.00 58.31 54.27 1n88 n LYS 63 Cb 0.00 1.02 -0.04 0.00 -0.51 0.00 0.00 35.03 35.50 1n88 n LYS 63 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1n88 n LYS 64 N -0.98 0.23 -0.24 1.97 4.81 -1.26 -4.79 118.16 117.90 1n88 n LYS 64 Ca -0.14 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1n88 n LYS 64 Cb 0.53 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 34.28 1n88 n LYS 64 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1n88 n ARG 65 N 1.20 2.64 -4.19 1.64 0.00 -1.26 -3.49 116.66 113.20 1n88 n ARG 65 Ca 0.18 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.71 1n88 n ARG 65 Cb 0.21 0.00 -0.06 0.00 -0.00 0.00 0.00 32.46 32.61 1n88 n ARG 65 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1n88 n LEU 66 N 0.00 -1.19 0.00 2.89 7.94 -1.26 -4.85 117.00 120.53 1n88 n LEU 66 Ca 0.00 -1.22 0.00 0.00 -1.11 0.00 0.00 56.01 53.68 1n88 n LEU 66 Cb 0.00 -1.75 0.00 0.00 0.53 0.00 0.00 43.42 42.20 1n88 n LEU 66 CO 0.00 0.51 0.00 0.61 -1.11 0.00 0.00 177.39 177.40 1n88 n GLY 67 N -2.37 2.08 3.69 -3.96 0.00 -1.26 -5.11 105.19 98.25 1n88 n GLY 67 Ca -0.29 0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 4.15 -0.44 1.61 1.70 -1.26 -4.56 118.95 120.16 1n88 s ARG 68 Ca 0.00 2.52 0.04 0.00 -0.47 0.00 0.00 55.73 57.82 1n88 s ARG 68 Cb 0.00 -3.68 0.28 0.00 -0.57 0.00 0.00 34.95 30.98 1n88 s ARG 68 CO 0.00 -0.83 1.07 0.98 -1.08 0.00 0.00 175.30 175.44 1n88 n TYR 69 N 5.93 -2.41 -4.27 5.89 9.36 -1.26 -4.95 117.16 125.45 1n88 n TYR 69 Ca 0.17 -1.54 -0.37 0.00 3.32 0.00 0.00 57.90 59.48 1n88 n TYR 69 Cb 0.39 1.46 -0.05 0.00 -0.63 0.00 0.00 39.34 40.51 1n88 n TYR 69 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1n88 n LEU 70 N 1.18 -1.10 0.00 2.98 7.94 -1.26 -4.60 117.00 122.15 1n88 n LEU 70 Ca 0.05 -1.03 0.00 0.00 -1.11 0.00 0.00 56.01 53.92 1n88 n LEU 70 Cb 0.68 -1.75 0.00 0.00 0.53 0.00 0.00 43.42 42.88 1n88 n LEU 70 CO -0.01 0.16 0.00 0.61 -1.11 0.00 0.00 177.39 177.04 1n88 n GLY 71 N -1.14 0.13 1.00 -3.96 0.00 -1.26 -5.12 105.19 94.85 1n88 n GLY 71 Ca 0.09 0.39 0.03 0.00 0.00 0.00 0.00 46.02 46.53 1n88 n GLY 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1n88 n LYS 72 N 0.00 -2.56 -1.45 1.61 0.00 -1.23 -4.58 118.16 109.95 1n88 n LYS 72 Ca 0.00 2.01 -0.50 0.00 0.00 0.00 0.00 58.31 59.82 1n88 n LYS 72 Cb 0.00 -2.60 -0.07 0.00 0.00 0.00 0.00 35.03 32.36 1n88 n LYS 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1n88 n ARG 73 N -2.57 1.04 0.00 1.64 1.74 -1.26 -4.88 116.66 112.36 1n88 n ARG 73 Ca -0.02 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 1n88 n ARG 73 Cb 0.35 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.32 1n88 n ARG 73 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1n88 n PRO 74 N 8.25 -0.09 -3.81 5.56 -0.04 -1.26 -4.92 135.00 138.69 1n88 n PRO 74 Ca 0.42 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.54 1n88 n PRO 74 Cb 0.24 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.58 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 -1.32 4.89 -0.05 3.54 1.01 -1.26 -4.60 116.67 118.89 1n88 s ASP 75 Ca 0.00 -3.00 0.02 0.00 0.71 0.00 0.00 52.55 50.29 1n88 s ASP 75 Cb 0.00 -1.77 -0.03 0.00 1.01 0.00 0.00 42.92 42.13 1n88 s ASP 75 CO 0.00 -0.30 -0.10 -0.60 0.21 0.00 0.00 175.17 174.39 1n88 s ARG 76 N -0.27 2.61 -0.10 8.23 6.06 -1.23 -4.62 118.95 129.62 1n88 s ARG 76 Ca 0.18 -0.64 0.03 0.00 -2.50 0.00 0.00 55.73 52.79 1n88 s ARG 76 Cb -0.21 -2.49 0.01 0.00 0.06 0.00 0.00 34.95 32.31 1n88 s ARG 76 CO -0.03 0.64 -0.19 0.21 -2.50 0.00 0.00 175.30 173.43 1n88 s LYS 77 N -0.90 2.53 0.09 5.12 2.20 -1.22 0.26 119.74 127.81 1n88 s LYS 77 Ca 0.13 -0.69 0.02 0.00 -0.36 0.00 0.00 55.97 55.07 1n88 s LYS 77 Cb -0.11 -2.03 -0.04 0.00 -1.51 0.00 0.00 37.83 34.14 1n88 s LYS 77 CO 0.02 0.03 0.16 -1.59 -0.36 0.00 0.00 175.35 173.61 1n88 s LYS 78 N 0.71 3.17 -0.12 4.03 -2.85 -0.16 0.47 119.74 124.99 1n88 s LYS 78 Ca -0.12 -0.60 0.02 0.00 -1.00 0.00 0.00 55.97 54.28 1n88 s LYS 78 Cb -0.16 -2.87 0.01 0.00 -2.06 0.00 0.00 37.83 32.75 1n88 s LYS 78 CO 0.02 0.57 -0.19 0.00 0.10 0.00 0.00 175.35 175.86 1n88 s ALA 79 N -1.52 1.93 -0.38 0.59 0.00 0.73 -0.10 121.76 123.01 1n88 s ALA 79 Ca 0.32 -0.88 -0.14 0.00 0.00 0.00 0.00 51.96 51.27 1n88 s ALA 79 Cb -0.12 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.13 1n88 s ALA 79 CO 0.25 -0.01 0.26 0.42 0.00 0.00 0.00 175.76 176.68 1n88 s ILE 80 N 0.84 5.15 -0.04 0.00 1.09 0.72 0.28 121.20 129.24 1n88 s ILE 80 Ca -0.08 -0.54 -0.04 0.00 -1.10 0.00 0.00 60.65 58.89 1n88 s ILE 80 Cb -0.15 -3.79 -0.04 0.00 -1.06 0.00 0.00 42.46 37.41 1n88 s ILE 80 CO -0.00 -0.19 0.17 -0.69 -0.10 0.00 0.00 174.94 174.12 1n88 s VAL 81 N 1.67 5.45 0.08 2.92 1.01 0.21 0.20 120.40 131.95 1n88 s VAL 81 Ca 0.05 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.05 1n88 s VAL 81 Cb -0.18 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1n88 s VAL 81 CO 0.10 0.40 -0.21 -1.58 0.00 0.00 0.00 175.10 173.80 1n88 s GLN 82 N -1.70 1.25 0.18 2.72 2.00 0.70 0.26 119.66 125.06 1n88 s GLN 82 Ca 0.24 -1.09 0.08 0.00 -2.00 0.00 0.00 55.36 52.60 1n88 s GLN 82 Cb -0.12 -1.47 -0.04 0.00 0.80 0.00 0.00 33.01 32.17 1n88 s GLN 82 CO 0.15 0.36 -0.17 0.14 -0.50 0.00 0.00 175.29 175.26 1n88 s VAL 83 N -1.01 1.83 0.93 1.34 -7.23 -1.19 0.21 120.40 115.28 1n88 s VAL 83 Ca 0.07 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.05 1n88 s VAL 83 Cb -0.10 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 1n88 s VAL 83 CO 0.03 -0.38 -0.67 0.00 -0.31 0.00 0.00 175.10 173.77 1n88 n ALA 84 N 0.10 -2.63 -0.92 1.32 0.00 -1.24 -4.65 120.51 112.49 1n88 n ALA 84 Ca -0.12 -1.05 -0.19 0.00 0.00 0.00 0.00 53.44 52.08 1n88 n ALA 84 Cb 0.58 -0.79 -0.09 0.00 0.00 0.00 0.00 19.45 19.15 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 0.87 2.22 0.01 0.00 -0.04 -1.26 -3.50 135.00 133.30 1n88 n PRO 85 Ca 0.00 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1n88 n PRO 85 Cb 0.52 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 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 3.07 -0.52 3.01 0.55 0.00 -1.26 -5.14 105.19 104.90 1n88 n GLY 86 Ca 0.47 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 46.41 1n88 n GLY 86 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n88 n GLN 87 N -2.36 -2.66 0.00 1.61 3.00 -1.23 -5.03 117.38 110.71 1n88 n GLN 87 Ca 0.00 -0.79 0.00 0.00 -0.01 0.00 0.00 57.00 56.20 1n88 n GLN 87 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 28.73 1n88 n GLN 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1n88 n LYS 88 N -2.26 0.00 -1.50 -1.09 0.00 -1.26 -4.94 118.16 107.11 1n88 n LYS 88 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 58.31 58.11 1n88 n LYS 88 Cb 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.28 1n88 n LYS 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1n88 n ILE 89 N 0.00 0.86 0.15 3.15 5.41 -1.26 -4.67 119.36 123.00 1n88 n ILE 89 Ca 0.00 -0.86 0.07 0.00 1.00 0.00 0.00 62.75 62.96 1n88 n ILE 89 Cb 0.00 -2.10 0.37 0.00 -0.71 0.00 0.00 39.64 37.20 1n88 n ILE 89 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1n88 n GLU 90 N 8.01 0.09 0.26 0.38 0.28 -1.26 -1.81 120.64 126.60 1n88 n GLU 90 Ca 0.44 0.56 0.18 0.00 -0.16 0.00 0.00 57.16 58.18 1n88 n GLU 90 Cb 0.45 -2.02 0.84 0.00 1.43 0.00 0.00 31.44 32.14 1n88 n GLU 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1n88 h ALA 91 N 1.37 1.55 0.00 -1.84 0.00 -1.99 -0.47 119.26 117.88 1n88 h ALA 91 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1n88 h ALA 91 Cb 0.45 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1n88 h ALA 91 CO 0.00 -0.37 -1.78 1.28 0.00 0.00 0.00 179.25 178.39 1n88 n LEU 92 N -3.24 0.00 0.14 0.00 4.77 -0.75 -3.95 117.00 113.97 1n88 n LEU 92 Ca 0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 1n88 n LEU 92 Cb 0.40 0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 1n88 n LEU 92 CO 0.19 0.11 0.77 -0.33 -1.33 0.00 0.00 177.39 176.80 1n88 h GLU 93 N 0.00 -0.27 -0.17 3.23 4.39 -1.19 -2.59 114.58 117.97 1n88 h GLU 93 Ca -0.12 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1n88 h GLU 93 Cb 1.07 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1n88 h GLU 93 CO 0.01 -0.13 0.00 0.41 -1.16 0.00 0.00 179.01 178.14 1n88 n GLY 94 N -1.03 0.29 0.18 -3.84 0.00 -1.07 -3.84 105.19 95.88 1n88 n GLY 94 Ca -0.09 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.65 1n88 n GLY 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n88 h LEU 95 N 2.19 0.00 0.00 0.99 5.85 -1.58 -3.52 115.31 119.24 1n88 h LEU 95 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1n88 h LEU 95 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1n88 h LEU 95 CO 0.00 0.00 0.00 -0.38 -0.34 0.00 0.00 178.44 177.72