#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 0.17 0.00 2.12 5.02 -1.26 -4.12 118.16 120.08 1n88 n LYS 2 Ca 0.00 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1n88 n LYS 2 Cb 0.00 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 1n88 n LYS 2 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1n88 n THR 3 N 7.43 0.00 -1.46 -0.18 -1.04 -1.26 0.53 114.28 118.30 1n88 n THR 3 Ca 0.61 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.51 1n88 n THR 3 Cb 0.13 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.54 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 0.25 -2.60 2.41 0.00 -1.24 -3.91 120.51 115.41 1n88 n ALA 4 Ca 0.00 -1.97 -0.08 0.00 0.00 0.00 0.00 53.44 51.39 1n88 n ALA 4 Cb 0.00 -2.74 -0.02 0.00 0.00 0.00 0.00 19.45 16.69 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 16.79 -0.28 -2.94 0.00 4.11 -1.11 0.20 117.16 133.94 1n88 n TYR 5 Ca 0.32 0.15 -0.12 0.00 -0.00 0.00 0.00 57.90 58.25 1n88 n TYR 5 Cb 0.48 -0.55 0.06 0.00 -0.00 0.00 0.00 39.34 39.33 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 -0.22 -3.51 0.00 9.48 2.03 0.19 -4.79 116.55 119.73 1n88 n ASP 6 Ca -0.03 -0.48 0.00 0.00 0.52 0.00 0.00 54.79 54.79 1n88 n ASP 6 Cb 0.14 -3.93 0.00 0.00 -0.72 0.00 0.00 41.12 36.60 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 -3.07 0.00 -3.71 5.18 0.31 0.54 -4.65 118.33 112.93 1n88 n VAL 7 Ca -0.14 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.82 1n88 n VAL 7 Cb 0.61 -0.16 -0.11 0.00 -0.91 0.00 0.00 33.84 33.26 1n88 n VAL 7 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1n88 s ILE 8 N -0.61 4.86 0.00 2.52 -1.09 -1.26 -3.82 121.20 121.81 1n88 s ILE 8 Ca 0.00 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.43 1n88 s ILE 8 Cb 0.00 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 1n88 s ILE 8 CO 0.00 0.32 0.00 0.18 -1.23 0.00 0.00 174.94 174.21 1n88 n LEU 9 N 4.75 0.00 -4.71 2.97 4.77 -0.64 -3.71 117.00 120.43 1n88 n LEU 9 Ca -0.15 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.59 1n88 n LEU 9 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1n88 n LEU 9 CO 0.33 0.00 -0.28 0.00 -1.33 0.00 0.00 177.39 176.11 1n88 s ALA 10 N -4.00 3.32 0.29 -1.18 0.00 -1.26 -4.84 121.76 114.09 1n88 s ALA 10 Ca 0.00 -1.47 -0.29 0.00 0.00 0.00 0.00 51.96 50.20 1n88 s ALA 10 Cb 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 23.12 21.99 1n88 s ALA 10 CO 0.00 0.34 1.12 -1.25 0.00 0.00 0.00 175.76 175.97 1n88 s PRO 11 N -3.46 4.60 -0.01 0.00 0.04 -1.26 -2.78 135.00 132.13 1n88 s PRO 11 Ca 0.31 1.84 -0.24 0.00 0.04 0.00 0.00 61.00 62.94 1n88 s PRO 11 Cb -0.08 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1n88 s PRO 11 CO 0.21 0.16 0.75 0.14 0.04 0.00 0.00 177.00 178.30 1n88 s VAL 12 N -1.17 4.89 -0.36 -0.36 -7.23 -0.88 -4.97 120.40 110.32 1n88 s VAL 12 Ca 0.45 1.56 -0.12 0.00 -1.81 0.00 0.00 61.98 62.07 1n88 s VAL 12 Cb -0.32 -4.09 0.01 0.00 0.56 0.00 0.00 36.38 32.53 1n88 s VAL 12 CO 0.42 0.30 0.21 -0.76 -0.31 0.00 0.00 175.10 174.96 1n88 s LEU 13 N 0.40 4.57 -0.12 1.32 2.01 -1.26 -4.73 118.68 120.87 1n88 s LEU 13 Ca 0.39 -0.73 -0.30 0.00 0.01 0.00 0.00 54.13 53.50 1n88 s LEU 13 Cb -0.19 -2.06 0.09 0.00 0.01 0.00 0.00 46.19 44.04 1n88 s LEU 13 CO 0.21 -0.31 0.81 -0.44 1.01 0.00 0.00 176.35 177.63 1n88 s SER 14 N 1.63 -0.55 0.21 2.29 0.01 -1.26 -4.97 113.70 111.06 1n88 s SER 14 Ca 0.04 0.68 -0.18 0.00 1.31 0.00 0.00 55.95 57.79 1n88 s SER 14 Cb -0.18 0.55 0.20 0.00 0.21 0.00 0.00 66.02 66.80 1n88 s SER 14 CO 0.08 -0.46 1.57 -0.33 0.41 0.00 0.00 173.24 174.51 1n88 h GLU 15 N 3.07 -0.07 -0.10 12.44 5.08 -1.97 2.22 114.58 135.25 1n88 h GLU 15 Ca -0.24 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1n88 h GLU 15 Cb 1.15 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1n88 h GLU 15 CO 0.32 -0.05 0.28 0.87 -1.00 0.00 0.00 179.01 179.43 1n88 h LYS 16 N -0.07 0.00 0.00 2.33 1.57 -1.97 -1.49 116.57 116.93 1n88 h LYS 16 Ca 0.30 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.96 1n88 h LYS 16 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1n88 h LYS 16 CO -0.84 0.00 -1.41 0.00 -0.57 0.00 0.00 179.45 176.63 1n88 n ALA 17 N -2.07 1.00 -0.36 3.86 0.00 0.67 -3.51 120.51 120.10 1n88 n ALA 17 Ca 0.00 -0.89 0.29 0.00 0.00 0.00 0.00 53.44 52.85 1n88 n ALA 17 Cb 0.36 0.06 0.60 0.00 0.00 0.00 0.00 19.45 20.48 1n88 n ALA 17 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1n88 h TYR 18 N -0.98 0.46 -0.00 0.00 0.05 0.11 2.46 116.97 119.06 1n88 h TYR 18 Ca -0.19 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.61 1n88 h TYR 18 Cb 1.16 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.77 1n88 h TYR 18 CO -0.33 -0.01 -0.45 0.00 -1.05 0.00 0.00 178.16 176.32 1n88 n ALA 19 N -2.56 3.45 -0.09 3.88 0.00 -0.57 -2.66 120.51 121.95 1n88 n ALA 19 Ca 0.28 -0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 1n88 n ALA 19 Cb 1.11 -1.12 -0.12 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.61 0.19 0.00 0.00 0.51 -4.30 105.19 102.45 1n88 n GLY 20 Ca 0.07 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.08 1.61 -0.00 0.33 -3.24 116.94 115.56 1n88 h PHE 21 Ca -0.46 0.00 0.02 0.00 -0.00 0.00 0.00 57.97 57.53 1n88 h PHE 21 Cb 1.91 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.86 1n88 h PHE 21 CO 0.01 0.00 0.26 0.00 -0.00 0.00 0.00 178.31 178.58 1n88 h ALA 22 N 2.11 1.45 -0.28 12.09 0.00 -1.65 0.22 119.26 133.20 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 0.95 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1n88 h ALA 22 CO 0.00 -0.30 0.00 -1.91 0.00 0.00 0.00 179.25 177.04 1n88 n GLU 23 N -3.19 2.48 -0.34 0.00 0.00 -1.22 -4.79 120.64 113.58 1n88 n GLU 23 Ca -0.00 -1.37 0.00 0.00 0.00 0.00 0.00 57.16 55.79 1n88 n GLU 23 Cb 0.34 -1.68 0.00 0.00 0.00 0.00 0.00 31.44 30.10 1n88 n GLU 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1n88 n GLY 24 N 0.50 0.68 3.78 8.31 0.00 0.73 -4.82 105.19 114.37 1n88 n GLY 24 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.66 4.56 -0.21 1.61 1.02 -0.89 -2.54 119.74 122.64 1n88 s LYS 25 Ca 0.00 1.21 -0.00 0.00 0.02 0.00 0.00 55.97 57.20 1n88 s LYS 25 Cb 0.00 -3.05 0.06 0.00 -0.52 0.00 0.00 37.83 34.32 1n88 s LYS 25 CO 0.00 0.44 -0.03 0.71 -0.92 0.00 0.00 175.35 175.55 1n88 s TYR 26 N -1.37 1.88 -0.13 3.18 2.02 0.73 -3.96 117.35 119.71 1n88 s TYR 26 Ca 0.43 -1.38 -0.27 0.00 -0.37 0.00 0.00 57.07 55.48 1n88 s TYR 26 Cb -0.21 -1.38 -0.02 0.00 -0.40 0.00 0.00 41.96 39.96 1n88 s TYR 26 CO 0.26 -0.70 0.89 0.99 -1.57 0.00 0.00 175.55 175.42 1n88 s THR 27 N 1.57 4.86 0.35 -0.71 2.01 -1.16 0.13 115.64 122.69 1n88 s THR 27 Ca -0.03 1.79 0.09 0.00 0.31 0.00 0.00 61.69 63.85 1n88 s THR 27 Cb -0.18 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.07 1n88 s THR 27 CO -0.07 0.05 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.48 1n88 s PHE 28 N 1.90 2.44 -0.24 4.92 0.08 0.71 -2.08 117.98 125.71 1n88 s PHE 28 Ca 0.43 -0.51 -0.09 0.00 0.12 0.00 0.00 56.93 56.88 1n88 s PHE 28 Cb -0.18 -1.45 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 1n88 s PHE 28 CO 0.16 0.55 0.11 -1.58 -0.10 0.00 0.00 175.22 174.36 1n88 s TRP 29 N -2.61 3.19 0.17 0.36 0.23 -1.12 0.21 118.94 119.37 1n88 s TRP 29 Ca 0.33 -0.07 -0.10 0.00 -2.03 0.00 0.00 56.10 54.23 1n88 s TRP 29 Cb 0.03 -2.25 -0.00 0.00 0.03 0.00 0.00 33.47 31.28 1n88 s TRP 29 CO 0.17 -0.13 0.32 0.54 0.96 0.00 0.00 176.95 178.81 1n88 s VAL 30 N 1.31 0.06 0.66 4.03 0.11 0.77 -1.62 120.40 125.71 1n88 s VAL 30 Ca 0.06 -1.27 -0.17 0.00 -2.93 0.00 0.00 61.98 57.67 1n88 s VAL 30 Cb -0.15 -1.78 -0.00 0.00 -1.53 0.00 0.00 36.38 32.93 1n88 s VAL 30 CO 0.05 -0.28 1.24 -1.00 -3.33 0.00 0.00 175.10 171.78 1n88 s HIS 31 N -3.95 2.17 -1.01 1.54 3.76 -1.25 -2.63 115.29 113.93 1n88 s HIS 31 Ca 0.15 1.53 -0.19 0.00 -0.15 0.00 0.00 55.06 56.40 1n88 s HIS 31 Cb 0.03 -3.55 -0.09 0.00 1.11 0.00 0.00 32.58 30.08 1n88 s HIS 31 CO -0.01 -2.58 2.03 -0.35 -0.85 0.00 0.00 174.74 172.98 1n88 n PRO 32 N -2.07 1.97 0.00 8.40 -0.04 -1.26 -3.03 135.00 138.97 1n88 n PRO 32 Ca 0.14 -2.11 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 1n88 n PRO 32 Cb 0.49 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 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 6.70 0.00 -1.50 0.54 -0.00 -1.26 -5.05 118.16 117.58 1n88 n LYS 33 Ca 0.50 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 58.44 1n88 n LYS 33 Cb 0.40 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 35.28 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 0.45 -1.44 0.58 0.00 -1.17 -4.74 120.51 114.19 1n88 n ALA 34 Ca 0.00 -0.42 -0.50 0.00 0.00 0.00 0.00 53.44 52.52 1n88 n ALA 34 Cb 0.00 -2.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.04 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 7.27 1.60 -0.44 0.00 -2.24 -1.26 -4.52 114.28 114.68 1n88 n THR 35 Ca 0.64 -0.40 0.36 0.00 -2.27 0.00 0.00 64.05 62.38 1n88 n THR 35 Cb 0.09 -0.13 0.64 0.00 -2.10 0.00 0.00 70.33 68.83 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 1.55 0.10 -0.03 -0.78 1.57 -1.93 1.20 116.57 118.25 1n88 h LYS 36 Ca -0.34 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.22 1n88 h LYS 36 Cb 1.42 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.71 1n88 h LYS 36 CO 0.59 0.07 -0.88 1.15 -0.57 0.00 0.00 179.45 179.82 1n88 h THR 37 N 0.10 1.38 -0.51 -0.16 2.02 -1.94 -3.24 112.91 110.56 1n88 h THR 37 Ca 0.80 -2.32 0.06 0.00 0.77 0.00 0.00 66.41 65.73 1n88 h THR 37 Cb 2.51 2.30 -0.05 0.00 -1.74 0.00 0.00 68.15 71.17 1n88 h THR 37 CO -0.41 0.70 0.21 -0.33 0.37 0.00 0.00 175.52 176.06 1n88 h GLU 38 N 0.27 0.40 -0.29 6.66 5.08 0.12 0.61 114.58 127.44 1n88 h GLU 38 Ca -0.07 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1n88 h GLU 38 Cb 1.49 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1n88 h GLU 38 CO 0.15 0.27 0.20 0.82 -1.00 0.00 0.00 179.01 179.45 1n88 h ILE 39 N 0.41 0.87 -0.20 3.13 2.04 -1.49 -2.20 117.51 120.07 1n88 h ILE 39 Ca 0.24 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 1n88 h ILE 39 Cb 0.22 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1n88 h ILE 39 CO -0.21 0.01 0.08 0.50 0.00 0.00 0.00 178.15 178.53 1n88 h LYS 40 N 0.03 0.30 -0.33 2.37 3.64 -0.92 -2.53 116.57 119.13 1n88 h LYS 40 Ca 0.14 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1n88 h LYS 40 Cb 0.50 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1n88 h LYS 40 CO -0.01 0.35 -0.04 -0.91 -2.27 0.00 0.00 179.45 176.57 1n88 h ASN 41 N 0.18 0.51 -0.01 4.20 2.35 -1.25 -1.59 115.58 119.97 1n88 h ASN 41 Ca 0.07 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1n88 h ASN 41 Cb 0.16 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1n88 h ASN 41 CO -0.01 0.61 -0.04 0.00 -1.65 0.00 0.00 177.43 176.35 1n88 h ALA 42 N 1.45 0.02 0.00 -0.83 0.00 -1.41 -3.22 119.26 115.27 1n88 h ALA 42 Ca 0.10 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1n88 h ALA 42 Cb 0.40 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1n88 h ALA 42 CO 0.02 -0.13 -0.48 -0.39 0.00 0.00 0.00 179.25 178.27 1n88 h VAL 43 N -0.58 1.19 -0.03 0.00 -1.51 -1.47 0.10 116.25 113.95 1n88 h VAL 43 Ca -0.00 -1.72 0.02 0.00 -1.23 0.00 0.00 66.70 63.77 1n88 h VAL 43 Cb 0.68 1.97 -0.03 0.00 -2.13 0.00 0.00 31.29 31.78 1n88 h VAL 43 CO 0.01 0.47 -0.12 -0.08 -1.23 0.00 0.00 177.57 176.61 1n88 h GLU 44 N 0.00 -0.18 0.11 5.19 4.22 -1.34 0.63 114.58 123.20 1n88 h GLU 44 Ca -0.00 0.01 -0.16 0.00 0.08 0.00 0.00 59.36 59.29 1n88 h GLU 44 Cb 0.93 0.04 0.02 0.00 0.50 0.00 0.00 28.75 30.24 1n88 h GLU 44 CO 0.06 -0.12 -0.70 1.79 -2.18 0.00 0.00 179.01 177.86 1n88 h THR 45 N -0.19 1.53 0.38 0.32 1.35 -1.55 0.13 112.91 114.88 1n88 h THR 45 Ca 0.05 -2.45 -0.02 0.00 -0.55 0.00 0.00 66.41 63.44 1n88 h THR 45 Cb 0.26 3.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 1n88 h THR 45 CO -0.14 0.69 -0.18 0.00 -0.25 0.00 0.00 175.52 175.63 1n88 h ALA 46 N 0.11 -1.08 0.00 6.62 0.00 -0.70 -3.08 119.26 121.13 1n88 h ALA 46 Ca -0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1n88 h ALA 46 Cb 1.53 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1n88 h ALA 46 CO 0.13 -1.04 -0.06 0.74 0.00 0.00 0.00 179.25 179.02 1n88 h PHE 47 N -0.53 0.00 -4.96 0.00 0.04 0.06 -3.47 116.94 108.08 1n88 h PHE 47 Ca -0.05 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.44 1n88 h PHE 47 Cb 0.39 0.00 0.13 0.00 2.20 0.00 0.00 35.95 38.67 1n88 h PHE 47 CO 0.13 0.06 -0.61 1.63 -0.60 0.00 0.00 178.31 178.93 1n88 n LYS 48 N -3.17 -5.68 -0.57 1.51 5.02 0.02 -4.95 118.16 110.34 1n88 n LYS 48 Ca 0.01 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1n88 n LYS 48 Cb 0.37 -5.24 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 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 -3.80 0.00 -4.00 -0.18 3.14 -1.12 -4.98 118.33 107.40 1n88 n VAL 49 Ca -0.17 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 60.88 1n88 n VAL 49 Cb 0.61 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.25 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 0.15 2.13 -0.22 1.45 2.36 -1.26 -4.70 119.74 119.66 1n88 s LYS 50 Ca 0.00 -1.46 -0.29 0.00 -2.55 0.00 0.00 55.97 51.67 1n88 s LYS 50 Cb 0.00 -3.08 0.00 0.00 -1.05 0.00 0.00 37.83 33.71 1n88 s LYS 50 CO 0.00 -0.69 1.11 0.08 1.55 0.00 0.00 175.35 177.40 1n88 s VAL 51 N 1.11 4.56 -0.93 4.02 1.01 -1.26 -2.99 120.40 125.92 1n88 s VAL 51 Ca -0.03 1.88 0.09 0.00 0.00 0.00 0.00 61.98 63.91 1n88 s VAL 51 Cb -0.20 -4.22 0.16 0.00 0.00 0.00 0.00 36.38 32.11 1n88 s VAL 51 CO -0.04 -0.18 0.99 0.55 0.00 0.00 0.00 175.10 176.42 1n88 n VAL 52 N 5.36 0.50 0.00 2.92 3.14 0.22 -4.89 118.33 125.58 1n88 n VAL 52 Ca 0.13 -0.75 0.00 0.00 -2.96 0.00 0.00 64.34 60.76 1n88 n VAL 52 Cb 0.46 0.85 0.00 0.00 -1.06 0.00 0.00 33.84 34.08 1n88 n VAL 52 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1n88 n LYS 53 N 0.41 0.00 -4.98 1.45 5.02 -1.17 -4.91 118.16 113.98 1n88 n LYS 53 Ca 0.07 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.04 1n88 n LYS 53 Cb 0.31 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.17 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 2.76 -0.14 -0.18 1.01 -1.26 0.14 120.40 122.74 1n88 s VAL 54 Ca 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 1n88 s VAL 54 Cb 0.00 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.34 1n88 s VAL 54 CO 0.00 0.57 -0.03 0.21 0.00 0.00 0.00 175.10 175.84 1n88 s ASN 55 N -0.31 2.45 0.36 3.32 3.84 0.78 -4.89 114.94 120.49 1n88 s ASN 55 Ca 0.02 -0.49 0.08 0.00 0.21 0.00 0.00 52.86 52.68 1n88 s ASN 55 Cb -0.13 -0.76 -0.05 0.00 -0.55 0.00 0.00 41.25 39.77 1n88 s ASN 55 CO 0.03 -0.19 0.11 0.42 -2.79 0.00 0.00 177.10 174.67 1n88 s THR 56 N 1.75 2.70 -0.08 -5.21 -4.23 -1.26 0.21 115.64 109.53 1n88 s THR 56 Ca 0.02 -1.79 -0.18 0.00 -1.18 0.00 0.00 61.69 58.56 1n88 s THR 56 Cb -0.14 -2.92 0.04 0.00 1.34 0.00 0.00 72.50 70.82 1n88 s THR 56 CO -0.07 -0.14 0.43 -1.48 -0.54 0.00 0.00 174.62 172.82 1n88 s LEU 57 N -3.82 0.35 -0.19 4.79 0.05 -0.68 -4.94 118.68 114.25 1n88 s LEU 57 Ca 0.38 0.51 -0.28 0.00 0.05 0.00 0.00 54.13 54.79 1n88 s LEU 57 Cb 0.00 1.61 -0.00 0.00 -2.05 0.00 0.00 46.19 45.75 1n88 s LEU 57 CO 0.21 -0.37 0.95 -2.28 -0.55 0.00 0.00 176.35 174.32 1n88 s HIS 58 N -0.72 3.40 -0.05 3.48 5.65 -1.26 -2.04 115.29 123.74 1n88 s HIS 58 Ca -0.08 1.40 0.06 0.00 0.25 0.00 0.00 55.06 56.69 1n88 s HIS 58 Cb -0.03 -3.16 -0.01 0.00 -1.18 0.00 0.00 32.58 28.20 1n88 s HIS 58 CO 0.04 -0.35 -0.23 0.54 -0.65 0.00 0.00 174.74 174.08 1n88 s VAL 59 N 2.62 1.91 -0.25 0.89 0.11 0.78 -4.94 120.40 121.53 1n88 s VAL 59 Ca 0.42 -0.99 -0.28 0.00 -2.93 0.00 0.00 61.98 58.20 1n88 s VAL 59 Cb -0.16 -1.62 0.16 0.00 -1.53 0.00 0.00 36.38 33.23 1n88 s VAL 59 CO 0.10 0.54 1.20 0.00 -3.33 0.00 0.00 175.10 173.61 1n88 s ARG 60 N -0.16 0.32 0.00 1.54 3.03 -1.26 -2.41 118.95 120.00 1n88 s ARG 60 Ca -0.02 0.17 0.00 0.00 2.03 0.00 0.00 55.73 57.91 1n88 s ARG 60 Cb -0.13 0.15 0.00 0.00 -1.03 0.00 0.00 34.95 33.94 1n88 s ARG 60 CO 0.03 -0.08 0.00 0.41 -1.13 0.00 0.00 175.30 174.53 1n88 n GLY 61 N 1.10 2.91 3.24 3.88 0.00 -1.26 -4.69 105.19 110.36 1n88 n GLY 61 Ca -0.08 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 1n88 n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 s LYS 62 N -1.09 1.02 0.00 1.61 -0.14 -1.26 -5.02 119.74 114.86 1n88 s LYS 62 Ca 0.00 -1.35 0.00 0.00 -1.36 0.00 0.00 55.97 53.26 1n88 s LYS 62 Cb 0.00 -0.70 0.00 0.00 -1.68 0.00 0.00 37.83 35.45 1n88 s LYS 62 CO 0.00 0.11 0.81 1.17 -0.76 0.00 0.00 175.35 176.68 1n88 n LYS 63 N 0.11 0.00 -1.44 1.68 4.81 -1.26 -4.54 118.16 117.53 1n88 n LYS 63 Ca -0.12 0.64 -0.48 0.00 -0.87 0.00 0.00 58.31 57.47 1n88 n LYS 63 Cb 0.59 -1.31 -0.03 0.00 0.02 0.00 0.00 35.03 34.30 1n88 n LYS 63 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1n88 n LYS 64 N -1.97 0.21 0.14 1.64 5.02 -1.26 -4.87 118.16 117.07 1n88 n LYS 64 Ca 0.00 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1n88 n LYS 64 Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1n88 n LYS 64 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1n88 n ARG 65 N 1.03 0.00 -3.11 1.97 5.12 -1.26 -4.80 116.66 115.61 1n88 n ARG 65 Ca 0.17 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 56.09 1n88 n ARG 65 Cb 0.24 -0.03 -0.00 0.00 -1.16 0.00 0.00 32.46 31.52 1n88 n ARG 65 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1n88 n LEU 66 N -3.45 -4.28 -2.67 0.55 4.32 -1.26 -4.43 117.00 105.78 1n88 n LEU 66 Ca 0.00 0.64 -0.14 0.00 -0.02 0.00 0.00 56.01 56.49 1n88 n LEU 66 Cb 0.00 -1.81 -0.06 0.00 -1.62 0.00 0.00 43.42 39.94 1n88 n LEU 66 CO 0.00 -1.87 1.70 0.61 -1.22 0.00 0.00 177.39 176.62 1n88 n GLY 67 N 1.40 2.58 1.12 -0.72 0.00 -1.26 -3.68 105.19 104.63 1n88 n GLY 67 Ca -0.01 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.29 1n88 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1n88 n ARG 68 N 3.42 0.10 -3.82 1.61 -4.01 -1.26 -5.09 116.66 107.61 1n88 n ARG 68 Ca 0.34 -1.76 -0.06 0.00 -1.04 0.00 0.00 57.85 55.32 1n88 n ARG 68 Cb 0.33 -0.26 -0.00 0.00 -3.04 0.00 0.00 32.46 29.49 1n88 n ARG 68 CO 0.00 0.00 0.00 -0.47 -3.04 0.00 0.00 177.63 174.12 1n88 s TYR 69 N -0.20 -0.06 -0.25 2.89 5.04 -1.24 -5.02 117.35 118.50 1n88 s TYR 69 Ca 0.24 -0.42 -0.02 0.00 -2.44 0.00 0.00 57.07 54.43 1n88 s TYR 69 Cb 0.27 0.73 0.07 0.00 0.35 0.00 0.00 41.96 43.37 1n88 s TYR 69 CO -0.11 -1.20 2.45 1.28 -1.34 0.00 0.00 175.55 176.63 1n88 n LEU 70 N -0.51 6.10 0.00 6.97 4.77 -1.26 -4.72 117.00 128.35 1n88 n LEU 70 Ca -0.06 -3.33 0.00 0.00 -0.03 0.00 0.00 56.01 52.59 1n88 n LEU 70 Cb 0.60 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 1n88 n LEU 70 CO 0.18 1.39 0.00 0.61 -1.33 0.00 0.00 177.39 178.25 1n88 n GLY 71 N 1.00 0.70 3.50 -0.72 0.00 -1.26 -5.03 105.19 103.38 1n88 n GLY 71 Ca 0.32 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.78 -1.33 1.61 5.02 -1.26 -4.47 118.16 115.95 1n88 n LYS 72 Ca 0.00 1.17 -0.58 0.00 -2.02 0.00 0.00 58.31 56.89 1n88 n LYS 72 Cb 0.00 -2.17 -0.11 0.00 -0.02 0.00 0.00 35.03 32.73 1n88 n LYS 72 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1n88 n ARG 73 N -3.32 0.31 0.00 1.97 1.74 -1.26 -4.76 116.66 111.34 1n88 n ARG 73 Ca 0.01 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1n88 n ARG 73 Cb 0.40 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 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 7.47 -0.76 -3.88 5.56 -0.04 -1.26 -4.83 135.00 137.26 1n88 n PRO 74 Ca 0.50 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.64 1n88 n PRO 74 Cb 0.03 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.37 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 -1.46 4.61 -0.08 3.54 1.11 -1.26 -4.49 116.67 118.64 1n88 s ASP 75 Ca 0.00 -3.01 0.04 0.00 0.18 0.00 0.00 52.55 49.75 1n88 s ASP 75 Cb 0.00 -1.71 0.00 0.00 1.07 0.00 0.00 42.92 42.29 1n88 s ASP 75 CO 0.00 -0.26 -0.20 -0.60 1.18 0.00 0.00 175.17 175.29 1n88 s ARG 76 N -0.29 2.43 -0.08 8.23 3.52 -1.01 -4.51 118.95 127.25 1n88 s ARG 76 Ca 0.17 -0.70 0.04 0.00 -0.13 0.00 0.00 55.73 55.11 1n88 s ARG 76 Cb -0.24 -1.92 0.00 0.00 -1.56 0.00 0.00 34.95 31.24 1n88 s ARG 76 CO -0.02 0.15 -0.19 -1.59 -0.81 0.00 0.00 175.30 172.85 1n88 s LYS 77 N 0.37 2.35 0.09 5.12 -2.85 -1.08 0.27 119.74 124.02 1n88 s LYS 77 Ca -0.15 -0.68 0.02 0.00 -1.00 0.00 0.00 55.97 54.16 1n88 s LYS 77 Cb -0.16 -1.87 -0.04 0.00 -2.06 0.00 0.00 37.83 33.70 1n88 s LYS 77 CO 0.06 0.16 0.19 -1.59 0.10 0.00 0.00 175.35 174.27 1n88 s LYS 78 N 0.35 3.27 -0.20 1.78 -2.85 -0.86 -0.17 119.74 121.07 1n88 s LYS 78 Ca -0.14 -0.56 -0.01 0.00 -1.00 0.00 0.00 55.97 54.26 1n88 s LYS 78 Cb -0.16 -2.92 0.01 0.00 -2.06 0.00 0.00 37.83 32.70 1n88 s LYS 78 CO 0.06 0.57 -0.13 0.00 0.10 0.00 0.00 175.35 175.95 1n88 s ALA 79 N -1.55 2.55 -0.39 0.59 0.00 0.56 -1.69 121.76 121.83 1n88 s ALA 79 Ca 0.33 -1.19 -0.16 0.00 0.00 0.00 0.00 51.96 50.94 1n88 s ALA 79 Cb -0.12 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 21.59 1n88 s ALA 79 CO 0.26 -0.38 0.40 0.42 0.00 0.00 0.00 175.76 176.46 1n88 s ILE 80 N 1.36 5.13 -0.13 0.00 1.09 0.58 0.26 121.20 129.48 1n88 s ILE 80 Ca 0.05 -0.20 -0.03 0.00 -1.10 0.00 0.00 60.65 59.37 1n88 s ILE 80 Cb -0.14 -3.95 -0.03 0.00 -1.06 0.00 0.00 42.46 37.29 1n88 s ILE 80 CO -0.08 -0.28 -0.05 -0.69 -0.10 0.00 0.00 174.94 173.73 1n88 s VAL 81 N 2.06 3.82 0.07 2.92 1.01 0.35 0.28 120.40 130.92 1n88 s VAL 81 Ca 0.12 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1n88 s VAL 81 Cb -0.17 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1n88 s VAL 81 CO 0.13 0.52 0.12 -1.58 0.00 0.00 0.00 175.10 174.29 1n88 s GLN 82 N 0.09 3.08 0.24 2.72 2.00 0.38 0.26 119.66 128.43 1n88 s GLN 82 Ca -0.01 -0.60 0.10 0.00 -2.00 0.00 0.00 55.36 52.86 1n88 s GLN 82 Cb -0.14 -2.84 -0.04 0.00 0.80 0.00 0.00 33.01 30.79 1n88 s GLN 82 CO 0.03 0.58 -0.11 0.14 -0.50 0.00 0.00 175.29 175.43 1n88 s VAL 83 N -1.43 2.99 0.91 1.34 -7.23 -1.05 0.70 120.40 116.63 1n88 s VAL 83 Ca 0.31 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.32 1n88 s VAL 83 Cb -0.12 -2.55 0.22 0.00 0.56 0.00 0.00 36.38 34.49 1n88 s VAL 83 CO 0.24 -0.29 1.07 0.00 -0.31 0.00 0.00 175.10 175.81 1n88 n ALA 84 N -0.46 -1.89 -1.99 1.32 0.00 -1.16 -4.77 120.51 111.56 1n88 n ALA 84 Ca -0.08 -1.45 -0.41 0.00 0.00 0.00 0.00 53.44 51.50 1n88 n ALA 84 Cb 0.58 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 1n88 n ALA 84 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n88 s PRO 85 N -5.35 4.49 0.00 0.00 0.04 -1.26 -3.54 135.00 129.37 1n88 s PRO 85 Ca 0.63 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1n88 s PRO 85 Cb -0.03 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1n88 s PRO 85 CO 0.46 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.83 1n88 n GLY 86 N 2.00 3.28 4.01 0.56 0.00 -1.26 -5.05 105.19 108.73 1n88 n GLY 86 Ca 0.04 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 2.43 0.00 1.61 0.00 -1.23 -5.12 119.66 117.35 1n88 s GLN 87 Ca 0.00 -1.34 0.00 0.00 -0.00 0.00 0.00 55.36 54.02 1n88 s GLN 87 Cb 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 33.01 30.38 1n88 s GLN 87 CO 0.00 -0.72 0.00 1.63 0.00 0.00 0.00 175.29 176.20 1n88 n LYS 88 N -2.20 0.00 -0.71 9.60 4.76 -1.26 -4.77 118.16 123.59 1n88 n LYS 88 Ca 0.12 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.30 1n88 n LYS 88 Cb 0.60 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.76 1n88 n LYS 88 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1n88 n ILE 89 N 0.00 1.66 0.10 -0.18 5.41 -1.26 -4.60 119.36 120.49 1n88 n ILE 89 Ca 0.00 -1.13 0.05 0.00 1.00 0.00 0.00 62.75 62.67 1n88 n ILE 89 Cb 0.00 -2.06 0.25 0.00 -0.71 0.00 0.00 39.64 37.11 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 5.40 0.06 0.20 0.38 -0.58 -1.26 -2.41 120.64 122.43 1n88 n GLU 90 Ca 0.38 0.49 0.09 0.00 -0.42 0.00 0.00 57.16 57.71 1n88 n GLU 90 Cb 0.21 -1.88 0.50 0.00 -0.57 0.00 0.00 31.44 29.69 1n88 n GLU 90 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n88 h ALA 91 N 1.43 1.20 0.00 0.62 0.00 -1.98 0.26 119.26 120.79 1n88 h ALA 91 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1n88 h ALA 91 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1n88 h ALA 91 CO 0.00 -0.20 -2.02 1.28 0.00 0.00 0.00 179.25 178.31 1n88 n LEU 92 N -2.27 0.00 0.01 0.00 4.77 -1.01 -4.01 117.00 114.48 1n88 n LEU 92 Ca -0.01 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.18 1n88 n LEU 92 Cb 0.29 0.14 0.71 0.00 -2.33 0.00 0.00 43.42 42.23 1n88 n LEU 92 CO 0.08 0.14 1.19 -0.33 -1.33 0.00 0.00 177.39 177.14 1n88 h GLU 93 N 0.00 0.00 0.00 3.23 4.39 -0.68 -0.62 114.58 120.90 1n88 h GLU 93 Ca -0.15 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.39 1n88 h GLU 93 Cb 1.28 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.91 1n88 h GLU 93 CO 0.01 0.00 -1.92 0.41 -1.16 0.00 0.00 179.01 176.35 1n88 n GLY 94 N -1.61 -1.08 0.63 -3.84 0.00 -1.24 -4.24 105.19 93.82 1n88 n GLY 94 Ca 0.10 -0.34 0.43 0.00 0.00 0.00 0.00 46.02 46.21 1n88 n GLY 94 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n88 h LEU 95 N 0.00 0.00 0.00 0.99 4.07 -1.24 -3.53 115.31 115.60 1n88 h LEU 95 Ca -0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1n88 h LEU 95 Cb 1.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.29 1n88 h LEU 95 CO 0.02 0.00 0.00 -0.38 -1.08 0.00 0.00 178.44 177.00