#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 2.39 -0.42 3.17 0.00 -1.26 -3.75 118.16 118.29 1n88 n LYS 2 Ca 0.00 -3.03 0.34 0.00 -0.00 0.00 0.00 58.31 55.62 1n88 n LYS 2 Cb 0.00 -2.19 0.56 0.00 -0.00 0.00 0.00 35.03 33.40 1n88 n LYS 2 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1n88 n THR 3 N -1.00 -0.15 -1.02 0.58 5.66 -1.26 0.31 114.28 117.40 1n88 n THR 3 Ca 0.59 1.35 -0.21 0.00 -3.05 0.00 0.00 64.05 62.73 1n88 n THR 3 Cb 1.24 -2.22 -0.08 0.00 -1.55 0.00 0.00 70.33 67.72 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1n88 n ALA 4 N -2.59 0.43 -2.96 1.79 0.00 -1.26 -3.26 120.51 112.66 1n88 n ALA 4 Ca 0.32 -1.96 -0.18 0.00 0.00 0.00 0.00 53.44 51.63 1n88 n ALA 4 Cb 1.32 -2.58 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 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 11.33 -1.10 -3.00 0.00 4.11 -1.18 0.86 117.16 128.19 1n88 n TYR 5 Ca 0.31 0.29 -0.09 0.00 -0.00 0.00 0.00 57.90 58.40 1n88 n TYR 5 Cb 0.42 -1.08 0.04 0.00 -0.00 0.00 0.00 39.34 38.72 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 -1.36 -6.41 0.00 9.48 2.03 0.91 -5.00 116.55 116.20 1n88 n ASP 6 Ca 0.05 -0.46 0.00 0.00 0.52 0.00 0.00 54.79 54.90 1n88 n ASP 6 Cb 0.34 -4.71 0.00 0.00 -0.72 0.00 0.00 41.12 36.03 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 -2.63 0.00 -2.84 5.18 0.31 0.25 -4.78 118.33 113.82 1n88 n VAL 7 Ca -0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.86 1n88 n VAL 7 Cb 0.58 -0.20 -0.04 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 -0.04 4.34 0.00 2.52 -1.09 -1.26 -3.15 121.20 122.52 1n88 s ILE 8 Ca 0.00 -0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 1n88 s ILE 8 Cb 0.00 -4.62 0.00 0.00 -1.58 0.00 0.00 42.46 36.26 1n88 s ILE 8 CO 0.00 -1.30 0.00 0.18 -1.23 0.00 0.00 174.94 172.59 1n88 n LEU 9 N 7.64 0.00 -4.79 2.97 4.32 0.27 -4.29 117.00 123.12 1n88 n LEU 9 Ca -0.01 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.76 1n88 n LEU 9 Cb 0.47 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.22 1n88 n LEU 9 CO 0.64 0.00 -0.15 0.00 -1.22 0.00 0.00 177.39 176.66 1n88 s ALA 10 N -2.25 3.64 0.58 -1.18 0.00 -1.26 -4.17 121.76 117.12 1n88 s ALA 10 Ca 0.00 -1.69 -0.17 0.00 0.00 0.00 0.00 51.96 50.10 1n88 s ALA 10 Cb 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1n88 s ALA 10 CO 0.00 0.06 1.07 -1.25 0.00 0.00 0.00 175.76 175.64 1n88 s PRO 11 N -3.90 3.33 -0.27 0.00 0.04 -1.26 -2.70 135.00 130.24 1n88 s PRO 11 Ca 0.38 1.30 -0.03 0.00 0.04 0.00 0.00 61.00 62.68 1n88 s PRO 11 Cb -0.05 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.49 1n88 s PRO 11 CO 0.24 -0.81 -0.01 0.54 0.04 0.00 0.00 177.00 177.00 1n88 s VAL 12 N -2.29 3.23 -0.37 -0.36 0.11 -1.15 -4.91 120.40 114.67 1n88 s VAL 12 Ca 0.66 -0.95 -0.13 0.00 -2.93 0.00 0.00 61.98 58.63 1n88 s VAL 12 Cb -0.17 -2.67 0.01 0.00 -1.53 0.00 0.00 36.38 32.01 1n88 s VAL 12 CO 0.34 0.13 0.24 -0.76 -3.33 0.00 0.00 175.10 171.72 1n88 s LEU 13 N 1.37 4.71 0.05 2.54 2.01 -1.26 -4.76 118.68 123.34 1n88 s LEU 13 Ca 0.00 -0.72 -0.25 0.00 0.01 0.00 0.00 54.13 53.18 1n88 s LEU 13 Cb -0.17 -2.10 0.06 0.00 0.01 0.00 0.00 46.19 43.99 1n88 s LEU 13 CO -0.02 -0.33 0.58 -0.94 1.01 0.00 0.00 176.35 176.65 1n88 s SER 14 N 1.66 -0.53 0.17 2.29 1.04 -1.26 -4.96 113.70 112.10 1n88 s SER 14 Ca 0.05 0.27 -0.28 0.00 0.48 0.00 0.00 55.95 56.47 1n88 s SER 14 Cb -0.18 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.47 1n88 s SER 14 CO 0.09 -0.76 1.55 -0.33 0.98 0.00 0.00 173.24 174.77 1n88 h GLU 15 N 2.62 -0.16 0.00 4.02 4.39 -1.97 2.06 114.58 125.54 1n88 h GLU 15 Ca -0.31 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1n88 h GLU 15 Cb 1.22 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1n88 h GLU 15 CO 0.40 -0.11 0.25 -0.22 -1.16 0.00 0.00 179.01 178.17 1n88 h LYS 16 N -0.17 0.00 0.00 2.33 3.64 -1.97 -0.63 116.57 119.77 1n88 h LYS 16 Ca 0.17 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.30 1n88 h LYS 16 Cb 0.53 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 1n88 h LYS 16 CO -0.78 0.00 -1.83 0.00 -2.27 0.00 0.00 179.45 174.57 1n88 n ALA 17 N -1.88 1.05 -0.06 5.00 0.00 0.59 -3.89 120.51 121.32 1n88 n ALA 17 Ca -0.02 -0.97 -0.07 0.00 0.00 0.00 0.00 53.44 52.38 1n88 n ALA 17 Cb 0.30 0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.00 -0.28 0.00 0.00 0.05 0.20 2.09 116.97 118.03 1n88 h TYR 18 Ca -0.38 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.43 1n88 h TYR 18 Cb 1.33 0.16 0.00 0.00 1.01 0.00 0.00 36.73 39.23 1n88 h TYR 18 CO -0.24 -0.18 0.00 0.00 -1.05 0.00 0.00 178.16 176.69 1n88 n ALA 19 N -2.59 1.27 -0.06 3.88 0.00 -0.26 -1.30 120.51 121.45 1n88 n ALA 19 Ca -0.01 0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.31 1n88 n ALA 19 Cb 0.20 -1.23 -0.13 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.86 -0.48 0.39 0.00 0.00 0.23 -3.76 105.19 100.72 1n88 n GLY 20 Ca 0.01 -0.23 0.20 0.00 0.00 0.00 0.00 46.02 46.00 1n88 n GLY 20 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1n88 h PHE 21 N -0.01 0.00 -1.25 1.61 -1.00 0.44 -0.04 116.94 116.69 1n88 h PHE 21 Ca -0.49 0.00 0.40 0.00 2.81 0.00 0.00 57.97 60.69 1n88 h PHE 21 Cb 1.95 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 41.39 1n88 h PHE 21 CO 0.06 0.00 0.80 0.00 -1.61 0.00 0.00 178.31 177.56 1n88 h ALA 22 N 1.34 2.60 -0.51 2.45 0.00 -1.52 2.15 119.26 125.78 1n88 h ALA 22 Ca 0.19 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1n88 h ALA 22 Cb 1.22 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1n88 h ALA 22 CO -0.00 -1.20 0.00 -1.91 0.00 0.00 0.00 179.25 176.14 1n88 n GLU 23 N -4.71 3.52 -0.97 0.00 2.13 -0.03 -4.86 120.64 115.71 1n88 n GLU 23 Ca 0.35 -2.39 0.00 0.00 0.66 0.00 0.00 57.16 55.78 1n88 n GLU 23 Cb 1.32 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 31.14 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 0.83 0.67 3.73 8.31 0.00 0.73 -4.67 105.19 114.78 1n88 n GLY 24 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.03 4.57 -0.21 1.61 1.02 -1.23 -3.00 119.74 122.46 1n88 s LYS 25 Ca 0.00 1.26 0.00 0.00 0.02 0.00 0.00 55.97 57.25 1n88 s LYS 25 Cb 0.00 -3.41 0.05 0.00 -0.52 0.00 0.00 37.83 33.96 1n88 s LYS 25 CO 0.00 0.13 -0.06 0.71 -0.92 0.00 0.00 175.35 175.22 1n88 s TYR 26 N 0.39 2.21 0.31 3.18 2.02 0.70 -3.26 117.35 122.90 1n88 s TYR 26 Ca 0.45 -1.56 -0.28 0.00 -0.37 0.00 0.00 57.07 55.31 1n88 s TYR 26 Cb -0.21 -1.52 -0.09 0.00 -0.40 0.00 0.00 41.96 39.74 1n88 s TYR 26 CO 0.26 -0.73 1.05 0.99 -1.57 0.00 0.00 175.55 175.55 1n88 s THR 27 N 1.46 3.68 0.13 -0.71 2.01 -1.19 0.24 115.64 121.26 1n88 s THR 27 Ca -0.04 1.55 -0.02 0.00 0.31 0.00 0.00 61.69 63.49 1n88 s THR 27 Cb -0.18 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1n88 s THR 27 CO -0.07 0.27 0.08 -0.36 -0.69 0.00 0.00 174.62 173.85 1n88 s PHE 28 N -1.33 0.76 -0.23 4.92 0.08 0.80 -2.92 117.98 120.05 1n88 s PHE 28 Ca 0.48 -1.15 -0.17 0.00 0.12 0.00 0.00 56.93 56.22 1n88 s PHE 28 Cb -0.27 -0.41 -0.03 0.00 -0.57 0.00 0.00 43.02 41.73 1n88 s PHE 28 CO 0.35 -0.53 0.45 -1.58 -0.10 0.00 0.00 175.22 173.81 1n88 s TRP 29 N -4.02 3.31 0.15 0.36 0.52 -1.10 0.18 118.94 118.35 1n88 s TRP 29 Ca 0.21 0.61 0.01 0.00 0.02 0.00 0.00 56.10 56.95 1n88 s TRP 29 Cb 0.07 -2.62 -0.04 0.00 -1.15 0.00 0.00 33.47 29.72 1n88 s TRP 29 CO 0.00 -0.15 0.02 0.54 0.02 0.00 0.00 176.95 177.38 1n88 s VAL 30 N 1.83 0.43 0.56 4.03 0.11 0.17 0.96 120.40 128.50 1n88 s VAL 30 Ca 0.20 -1.95 -0.19 0.00 -2.93 0.00 0.00 61.98 57.11 1n88 s VAL 30 Cb -0.15 -2.07 -0.05 0.00 -1.53 0.00 0.00 36.38 32.58 1n88 s VAL 30 CO 0.09 -0.49 1.16 -1.00 -3.33 0.00 0.00 175.10 171.53 1n88 s HIS 31 N -3.82 2.57 -0.94 1.54 3.76 -1.19 -2.88 115.29 114.32 1n88 s HIS 31 Ca 0.23 1.53 -0.17 0.00 -0.15 0.00 0.00 55.06 56.51 1n88 s HIS 31 Cb 0.07 -3.36 -0.10 0.00 1.11 0.00 0.00 32.58 30.30 1n88 s HIS 31 CO 0.03 -1.81 2.06 -0.35 -0.85 0.00 0.00 174.74 173.82 1n88 n PRO 32 N -1.41 1.93 0.00 8.40 -0.04 -1.26 -2.71 135.00 139.92 1n88 n PRO 32 Ca 0.12 -1.89 0.00 0.00 -0.04 0.00 0.00 63.50 61.70 1n88 n PRO 32 Cb 0.50 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 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 6.08 0.00 -1.51 0.54 -0.00 -1.26 -5.07 118.16 116.94 1n88 n LYS 33 Ca 0.50 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 58.41 1n88 n LYS 33 Cb 0.33 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 35.27 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 0.57 -1.57 0.58 0.00 -1.10 -4.83 120.51 114.16 1n88 n ALA 34 Ca 0.00 -0.54 -0.44 0.00 0.00 0.00 0.00 53.44 52.47 1n88 n ALA 34 Cb 0.00 -2.70 -0.01 0.00 0.00 0.00 0.00 19.45 16.74 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 7.68 2.07 -0.41 0.00 -2.24 -1.26 -4.55 114.28 115.57 1n88 n THR 35 Ca 0.51 -0.50 0.33 0.00 -2.27 0.00 0.00 64.05 62.12 1n88 n THR 35 Cb 0.27 -0.94 0.61 0.00 -2.10 0.00 0.00 70.33 68.17 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 1.71 0.15 -0.00 -0.78 3.64 -1.90 0.12 116.57 119.51 1n88 h LYS 36 Ca -0.40 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1n88 h LYS 36 Cb 1.35 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1n88 h LYS 36 CO 0.58 0.10 -0.09 1.15 -2.27 0.00 0.00 179.45 178.92 1n88 h THR 37 N 0.16 1.57 -0.84 1.00 2.02 -1.89 -3.21 112.91 111.73 1n88 h THR 37 Ca 0.76 -1.81 0.10 0.00 0.77 0.00 0.00 66.41 66.23 1n88 h THR 37 Cb 2.30 2.76 -0.08 0.00 -1.74 0.00 0.00 68.15 71.39 1n88 h THR 37 CO -0.39 0.48 0.48 -0.33 0.37 0.00 0.00 175.52 176.13 1n88 h GLU 38 N -0.64 0.76 -0.30 6.66 4.39 -1.13 0.15 114.58 124.47 1n88 h GLU 38 Ca -0.01 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.71 1n88 h GLU 38 Cb 0.84 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 1n88 h GLU 38 CO 0.02 0.50 0.21 0.82 -1.16 0.00 0.00 179.01 179.40 1n88 h ILE 39 N 0.78 0.89 -0.57 3.13 2.04 -1.27 -1.96 117.51 120.57 1n88 h ILE 39 Ca 0.41 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 66.24 1n88 h ILE 39 Cb 0.40 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1n88 h ILE 39 CO -0.26 0.02 0.34 0.50 0.00 0.00 0.00 178.15 178.74 1n88 h LYS 40 N 0.08 0.77 -0.53 2.37 3.64 -0.69 -2.73 116.57 119.48 1n88 h LYS 40 Ca 0.14 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1n88 h LYS 40 Cb 0.45 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1n88 h LYS 40 CO -0.01 0.56 0.35 -0.91 -2.27 0.00 0.00 179.45 177.17 1n88 h ASN 41 N 0.76 0.48 0.01 4.20 2.35 -1.33 -1.67 115.58 120.39 1n88 h ASN 41 Ca 0.20 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1n88 h ASN 41 Cb -0.01 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1n88 h ASN 41 CO -0.04 0.32 -0.01 0.00 -1.65 0.00 0.00 177.43 176.06 1n88 h ALA 42 N 1.70 -0.02 -0.08 -0.83 0.00 -1.54 -2.90 119.26 115.59 1n88 h ALA 42 Ca 0.22 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1n88 h ALA 42 Cb 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1n88 h ALA 42 CO -0.06 -0.19 -0.29 -0.39 0.00 0.00 0.00 179.25 178.33 1n88 h VAL 43 N -0.67 1.24 0.25 0.00 -1.51 -1.45 0.59 116.25 114.71 1n88 h VAL 43 Ca -0.00 -1.13 -0.01 0.00 -1.23 0.00 0.00 66.70 64.33 1n88 h VAL 43 Cb 0.64 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 1n88 h VAL 43 CO 0.00 0.33 -0.12 -0.08 -1.23 0.00 0.00 177.57 176.48 1n88 h GLU 44 N 0.13 -0.33 0.00 5.19 4.22 -1.35 0.79 114.58 123.23 1n88 h GLU 44 Ca 0.02 0.02 -0.09 0.00 0.08 0.00 0.00 59.36 59.39 1n88 h GLU 44 Cb 0.58 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1n88 h GLU 44 CO 0.04 -0.11 -0.46 1.15 -2.18 0.00 0.00 179.01 177.45 1n88 h THR 45 N -0.49 0.77 0.00 0.32 2.02 -1.43 -2.42 112.91 111.68 1n88 h THR 45 Ca -0.03 -2.09 -0.04 0.00 0.77 0.00 0.00 66.41 65.02 1n88 h THR 45 Cb 0.37 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 1n88 h THR 45 CO 0.06 0.44 -0.39 0.00 0.37 0.00 0.00 175.52 175.99 1n88 h ALA 46 N 1.55 0.05 0.00 6.16 0.00 0.31 -3.35 119.26 123.98 1n88 h ALA 46 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1n88 h ALA 46 Cb 1.35 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1n88 h ALA 46 CO 0.06 0.29 0.00 0.74 0.00 0.00 0.00 179.25 180.34 1n88 h PHE 47 N -1.00 0.00 -4.50 0.00 0.04 0.46 -3.47 116.94 108.47 1n88 h PHE 47 Ca -0.06 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.46 1n88 h PHE 47 Cb 0.58 0.00 0.11 0.00 2.20 0.00 0.00 35.95 38.84 1n88 h PHE 47 CO -0.00 0.00 -0.52 1.63 -0.60 0.00 0.00 178.31 178.82 1n88 n LYS 48 N -2.49 -4.98 -0.88 1.51 5.02 -0.92 -4.83 118.16 110.60 1n88 n LYS 48 Ca 0.02 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1n88 n LYS 48 Cb 0.29 -4.86 0.00 0.00 -0.02 0.00 0.00 35.03 30.43 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 -3.56 0.00 -3.87 -0.18 3.14 -1.16 -4.99 118.33 107.71 1n88 n VAL 49 Ca -0.13 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 60.90 1n88 n VAL 49 Cb 0.59 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 33.24 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 -0.32 2.17 -0.22 1.45 2.36 -1.26 -4.75 119.74 119.18 1n88 s LYS 50 Ca 0.00 -1.54 -0.29 0.00 -2.55 0.00 0.00 55.97 51.59 1n88 s LYS 50 Cb 0.00 -3.34 0.00 0.00 -1.05 0.00 0.00 37.83 33.44 1n88 s LYS 50 CO 0.00 -0.83 1.16 0.08 1.55 0.00 0.00 175.35 177.31 1n88 s VAL 51 N 1.18 4.45 -0.11 4.02 1.01 -1.26 -2.54 120.40 127.15 1n88 s VAL 51 Ca 0.02 1.74 0.22 0.00 0.00 0.00 0.00 61.98 63.95 1n88 s VAL 51 Cb -0.21 -4.18 -0.21 0.00 0.00 0.00 0.00 36.38 31.78 1n88 s VAL 51 CO -0.03 -0.22 0.67 0.55 0.00 0.00 0.00 175.10 176.07 1n88 n VAL 52 N 5.48 0.32 -3.60 2.92 3.14 0.41 -4.81 118.33 122.19 1n88 n VAL 52 Ca 0.13 -0.54 -0.11 0.00 -2.96 0.00 0.00 64.34 60.87 1n88 n VAL 52 Cb 0.46 -0.16 -0.06 0.00 -1.06 0.00 0.00 33.84 33.01 1n88 n VAL 52 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1n88 s LYS 53 N -3.40 0.59 -0.13 1.45 0.00 -1.07 -4.96 119.74 112.22 1n88 s LYS 53 Ca -0.05 0.33 -0.01 0.00 0.00 0.00 0.00 55.97 56.23 1n88 s LYS 53 Cb 0.12 0.28 0.04 0.00 0.00 0.00 0.00 37.83 38.27 1n88 s LYS 53 CO 0.86 -0.15 -0.02 0.08 0.00 0.00 0.00 175.35 176.12 1n88 s VAL 54 N -0.60 0.76 -0.26 1.79 1.01 -1.25 0.24 120.40 122.09 1n88 s VAL 54 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 1n88 s VAL 54 Cb -0.02 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.42 1n88 s VAL 54 CO -0.01 0.16 -0.04 0.21 0.00 0.00 0.00 175.10 175.42 1n88 s ASN 55 N 1.79 4.45 -0.04 3.32 3.84 0.73 -4.83 114.94 124.20 1n88 s ASN 55 Ca 0.03 -0.85 0.02 0.00 0.21 0.00 0.00 52.86 52.26 1n88 s ASN 55 Cb -0.14 -1.70 -0.03 0.00 -0.55 0.00 0.00 41.25 38.83 1n88 s ASN 55 CO -0.07 -0.14 -0.07 0.42 -2.79 0.00 0.00 177.10 174.45 1n88 s THR 56 N 1.35 3.66 0.04 -5.21 -4.23 -1.25 0.31 115.64 110.30 1n88 s THR 56 Ca 0.00 -0.59 0.03 0.00 -1.18 0.00 0.00 61.69 59.95 1n88 s THR 56 Cb -0.17 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.13 1n88 s THR 56 CO -0.03 0.53 -0.09 -1.48 -0.54 0.00 0.00 174.62 173.01 1n88 s LEU 57 N -1.02 2.23 0.05 4.79 2.34 0.13 -4.87 118.68 122.33 1n88 s LEU 57 Ca 0.14 -0.50 -0.31 0.00 0.06 0.00 0.00 54.13 53.52 1n88 s LEU 57 Cb -0.11 -0.24 -0.07 0.00 -0.56 0.00 0.00 46.19 45.21 1n88 s LEU 57 CO 0.03 -0.15 1.45 -1.00 -1.06 0.00 0.00 176.35 175.63 1n88 s HIS 58 N -1.19 2.88 -0.03 3.48 3.76 -1.26 0.52 115.29 123.44 1n88 s HIS 58 Ca -0.07 0.75 0.07 0.00 -0.15 0.00 0.00 55.06 55.66 1n88 s HIS 58 Cb -0.09 -3.73 -0.02 0.00 1.11 0.00 0.00 32.58 29.85 1n88 s HIS 58 CO 0.01 -2.73 -0.25 0.14 -0.85 0.00 0.00 174.74 171.05 1n88 s VAL 59 N 2.07 2.02 -0.38 -0.90 -7.23 0.66 -4.86 120.40 111.77 1n88 s VAL 59 Ca 0.66 -1.08 -0.11 0.00 -1.81 0.00 0.00 61.98 59.65 1n88 s VAL 59 Cb -0.35 -1.69 0.04 0.00 0.56 0.00 0.00 36.38 34.94 1n88 s VAL 59 CO 0.29 0.57 0.22 -0.13 -0.31 0.00 0.00 175.10 175.73 1n88 s ARG 60 N -0.42 2.77 0.00 4.82 1.81 -1.26 -1.39 118.95 125.27 1n88 s ARG 60 Ca 0.05 -1.16 0.00 0.00 -1.72 0.00 0.00 55.73 52.89 1n88 s ARG 60 Cb -0.11 -3.74 0.00 0.00 -0.45 0.00 0.00 34.95 30.65 1n88 s ARG 60 CO 0.01 -0.76 0.00 0.41 -0.68 0.00 0.00 175.30 174.28 1n88 n GLY 61 N 4.98 -0.66 3.98 -3.53 0.00 -1.26 -4.86 105.19 103.84 1n88 n GLY 61 Ca -0.12 -1.27 0.02 0.00 0.00 0.00 0.00 46.02 44.65 1n88 n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n88 s LYS 62 N -2.00 0.51 0.91 1.61 2.20 -1.26 -4.81 119.74 116.90 1n88 s LYS 62 Ca 0.00 -0.33 -0.11 0.00 -0.36 0.00 0.00 55.97 55.17 1n88 s LYS 62 Cb 0.00 0.14 0.12 0.00 -1.51 0.00 0.00 37.83 36.58 1n88 s LYS 62 CO 0.00 -0.24 1.03 1.63 -0.36 0.00 0.00 175.35 177.42 1n88 n LYS 63 N -0.88 -0.34 -3.62 4.03 4.76 -1.26 -3.25 118.16 117.59 1n88 n LYS 63 Ca 0.03 -0.03 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 1n88 n LYS 63 Cb 0.59 -2.30 0.06 0.00 -1.84 0.00 0.00 35.03 31.54 1n88 n LYS 63 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1n88 n LYS 64 N -3.69 -6.29 -0.51 1.97 5.02 -1.26 -4.85 118.16 108.55 1n88 n LYS 64 Ca 0.11 0.74 -0.00 0.00 -2.02 0.00 0.00 58.31 57.14 1n88 n LYS 64 Cb 0.52 -5.62 -0.00 0.00 -0.02 0.00 0.00 35.03 29.91 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 -4.46 0.00 -1.38 1.97 1.74 -1.20 -4.74 116.66 108.60 1n88 n ARG 65 Ca -0.17 -0.08 -0.18 0.00 -0.77 0.00 0.00 57.85 56.64 1n88 n ARG 65 Cb 0.62 -0.02 -0.11 0.00 -1.02 0.00 0.00 32.46 31.93 1n88 n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1n88 n LEU 66 N 0.00 1.09 -3.96 0.55 7.99 -1.26 -3.42 117.00 118.00 1n88 n LEU 66 Ca -0.00 -2.26 -0.29 0.00 -0.01 0.00 0.00 56.01 53.44 1n88 n LEU 66 Cb 0.52 -1.47 0.01 0.00 -0.11 0.00 0.00 43.42 42.36 1n88 n LEU 66 CO -0.00 -3.31 -0.03 0.61 -1.51 0.00 0.00 177.39 173.14 1n88 n GLY 67 N 5.86 -0.39 0.19 -0.72 0.00 -1.26 -4.83 105.19 104.04 1n88 n GLY 67 Ca 0.40 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.65 1n88 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 n ARG 68 N -4.48 1.00 -1.39 1.61 1.74 -1.22 -5.04 116.66 108.88 1n88 n ARG 68 Ca -0.09 -2.24 0.00 0.00 -0.77 0.00 0.00 57.85 54.75 1n88 n ARG 68 Cb 0.58 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 1n88 n ARG 68 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1n88 n TYR 69 N -1.10 0.00 -2.83 -1.55 9.36 -1.26 -4.82 117.16 114.96 1n88 n TYR 69 Ca 0.12 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.34 1n88 n TYR 69 Cb 0.66 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 39.42 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 -0.14 1.50 0.00 2.98 7.94 -1.26 -5.03 117.00 122.99 1n88 n LEU 70 Ca 0.00 -3.05 0.00 0.00 -1.11 0.00 0.00 56.01 51.85 1n88 n LEU 70 Cb 0.00 0.47 0.00 0.00 0.53 0.00 0.00 43.42 44.42 1n88 n LEU 70 CO 0.00 1.06 0.00 0.61 -1.11 0.00 0.00 177.39 177.95 1n88 n GLY 71 N -0.60 -1.51 3.84 -3.96 0.00 -1.26 -5.00 105.19 96.70 1n88 n GLY 71 Ca 0.07 0.76 0.02 0.00 0.00 0.00 0.00 46.02 46.86 1n88 n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n88 s LYS 72 N 1.33 0.50 -0.45 1.61 -2.85 -1.26 -5.11 119.74 113.51 1n88 s LYS 72 Ca 0.00 -0.31 0.03 0.00 -1.00 0.00 0.00 55.97 54.69 1n88 s LYS 72 Cb 0.00 0.15 0.12 0.00 -2.06 0.00 0.00 37.83 36.04 1n88 s LYS 72 CO 0.00 -0.23 0.19 1.03 0.10 0.00 0.00 175.35 176.44 1n88 s ARG 73 N -2.20 1.84 0.00 1.78 0.52 -1.26 -4.70 118.95 114.93 1n88 s ARG 73 Ca 0.23 -2.29 0.00 0.00 -0.52 0.00 0.00 55.73 53.15 1n88 s ARG 73 Cb 0.01 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 32.15 1n88 s ARG 73 CO -0.01 -1.05 0.00 -0.35 0.02 0.00 0.00 175.30 173.91 1n88 n PRO 74 N 3.66 0.25 -3.77 3.54 -0.04 -1.26 -4.83 135.00 132.55 1n88 n PRO 74 Ca 0.04 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.16 1n88 n PRO 74 Cb 0.37 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.72 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 5.04 0.12 3.54 1.11 -1.26 -4.35 116.67 119.55 1n88 s ASP 75 Ca 0.00 -2.96 0.02 0.00 0.18 0.00 0.00 52.55 49.79 1n88 s ASP 75 Cb 0.00 -1.80 -0.04 0.00 1.07 0.00 0.00 42.92 42.15 1n88 s ASP 75 CO 0.00 -0.32 0.24 -0.60 1.18 0.00 0.00 175.17 175.67 1n88 s ARG 76 N -0.22 3.36 -0.11 8.23 6.06 -0.49 -4.82 118.95 130.96 1n88 s ARG 76 Ca 0.18 -0.58 -0.03 0.00 -2.50 0.00 0.00 55.73 52.79 1n88 s ARG 76 Cb -0.21 -2.94 -0.03 0.00 0.06 0.00 0.00 34.95 31.83 1n88 s ARG 76 CO -0.03 0.55 0.01 0.21 -2.50 0.00 0.00 175.30 173.53 1n88 s LYS 77 N -2.97 3.25 0.12 5.12 2.20 -1.14 0.24 119.74 126.57 1n88 s LYS 77 Ca 0.34 -0.41 0.07 0.00 -0.36 0.00 0.00 55.97 55.61 1n88 s LYS 77 Cb -0.12 -2.88 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 1n88 s LYS 77 CO 0.27 0.57 -0.08 0.21 -0.36 0.00 0.00 175.35 175.96 1n88 s LYS 78 N -0.50 2.17 -0.14 4.03 2.47 0.18 0.43 119.74 128.38 1n88 s LYS 78 Ca 0.09 -1.06 0.00 0.00 -1.56 0.00 0.00 55.97 53.44 1n88 s LYS 78 Cb -0.12 -2.30 0.02 0.00 -1.46 0.00 0.00 37.83 33.97 1n88 s LYS 78 CO 0.02 0.49 -0.13 0.00 0.16 0.00 0.00 175.35 175.90 1n88 s ALA 79 N -1.34 1.74 -0.41 3.13 0.00 0.48 0.18 121.76 125.54 1n88 s ALA 79 Ca 0.23 -0.83 -0.17 0.00 0.00 0.00 0.00 51.96 51.19 1n88 s ALA 79 Cb -0.11 -1.02 0.02 0.00 0.00 0.00 0.00 23.12 22.01 1n88 s ALA 79 CO 0.15 -0.38 0.43 0.42 0.00 0.00 0.00 175.76 176.38 1n88 s ILE 80 N 1.52 5.09 -0.19 0.00 1.01 0.90 0.28 121.20 129.82 1n88 s ILE 80 Ca 0.05 -0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.30 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 -0.40 0.11 -0.69 0.00 0.00 0.00 174.94 173.86 1n88 s VAL 81 N 2.14 5.20 0.16 2.92 1.01 0.66 0.26 120.40 132.75 1n88 s VAL 81 Ca 0.12 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.29 1n88 s VAL 81 Cb -0.17 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1n88 s VAL 81 CO 0.13 0.46 -0.05 -1.58 0.00 0.00 0.00 175.10 174.06 1n88 s GLN 82 N 0.23 2.22 0.23 2.72 -0.44 0.65 0.25 119.66 125.52 1n88 s GLN 82 Ca 0.07 -1.15 0.10 0.00 -2.50 0.00 0.00 55.36 51.88 1n88 s GLN 82 Cb -0.11 -2.27 -0.04 0.00 -1.64 0.00 0.00 33.01 28.94 1n88 s GLN 82 CO -0.01 0.46 -0.10 0.14 0.50 0.00 0.00 175.29 176.28 1n88 s VAL 83 N -1.62 3.08 1.31 1.34 -7.23 -1.16 0.15 120.40 116.27 1n88 s VAL 83 Ca 0.25 -1.91 -0.18 0.00 -1.81 0.00 0.00 61.98 58.33 1n88 s VAL 83 Cb -0.09 -2.58 0.33 0.00 0.56 0.00 0.00 36.38 34.60 1n88 s VAL 83 CO 0.16 -0.25 0.98 0.00 -0.31 0.00 0.00 175.10 175.68 1n88 s ALA 84 N -2.05 -0.59 -1.11 1.32 0.00 -1.05 -4.59 121.76 113.69 1n88 s ALA 84 Ca 0.28 -0.55 -0.08 0.00 0.00 0.00 0.00 51.96 51.61 1n88 s ALA 84 Cb -0.07 -3.06 -0.10 0.00 0.00 0.00 0.00 23.12 19.88 1n88 s ALA 84 CO 0.16 -4.24 2.74 -0.35 0.00 0.00 0.00 175.76 174.06 1n88 n PRO 85 N -5.30 2.84 0.00 0.00 -0.04 -1.26 -3.26 135.00 127.98 1n88 n PRO 85 Ca 0.08 -1.72 0.00 0.00 -0.04 0.00 0.00 63.50 61.82 1n88 n PRO 85 Cb 0.58 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 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 3.45 0.09 3.86 0.55 0.00 -1.26 -5.15 105.19 106.73 1n88 n GLY 86 Ca 0.60 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 46.29 1n88 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n88 n GLN 87 N -0.70 0.68 -3.53 1.61 0.00 -1.20 -5.13 117.38 109.11 1n88 n GLN 87 Ca 0.00 -3.60 -0.00 0.00 0.00 0.00 0.00 57.00 53.40 1n88 n GLN 87 Cb 0.00 0.54 -0.05 0.00 0.00 0.00 0.00 30.24 30.72 1n88 n GLN 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1n88 s LYS 88 N -4.20 0.30 -0.64 2.61 -2.85 -1.26 -4.70 119.74 109.00 1n88 s LYS 88 Ca 0.24 0.62 -0.26 0.00 -1.00 0.00 0.00 55.97 55.56 1n88 s LYS 88 Cb -0.02 0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 1n88 s LYS 88 CO 0.15 -0.08 1.95 0.42 0.10 0.00 0.00 175.35 177.89 1n88 s ILE 89 N 1.80 3.32 -0.62 3.79 1.01 -1.26 -4.79 121.20 124.45 1n88 s ILE 89 Ca -0.06 0.10 0.22 0.00 0.00 0.00 0.00 60.65 60.91 1n88 s ILE 89 Cb -0.04 -3.82 0.22 0.00 0.01 0.00 0.00 42.46 38.83 1n88 s ILE 89 CO -0.16 -0.79 1.66 -0.62 0.00 0.00 0.00 174.94 175.04 1n88 n GLU 90 N 9.12 0.15 0.03 2.79 1.02 -1.26 -3.11 120.64 129.38 1n88 n GLU 90 Ca 0.25 0.37 0.20 0.00 -0.02 0.00 0.00 57.16 57.96 1n88 n GLU 90 Cb 0.52 -1.78 0.71 0.00 -0.02 0.00 0.00 31.44 30.87 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 2.34 2.38 0.00 0.62 0.00 -1.89 -1.66 119.26 121.06 1n88 h ALA 91 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1n88 h ALA 91 Cb 0.36 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1n88 h ALA 91 CO 0.00 -0.64 -1.76 1.28 0.00 0.00 0.00 179.25 178.13 1n88 n LEU 92 N -4.21 0.00 0.14 0.00 4.77 -1.18 -4.20 117.00 112.31 1n88 n LEU 92 Ca 0.09 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 1n88 n LEU 92 Cb 0.59 0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.71 1n88 n LEU 92 CO 0.35 0.09 0.71 -0.33 -1.33 0.00 0.00 177.39 176.87 1n88 h GLU 93 N 0.00 -0.45 0.00 3.23 4.39 -1.34 -1.26 114.58 119.15 1n88 h GLU 93 Ca -0.10 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1n88 h GLU 93 Cb 0.99 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1n88 h GLU 93 CO 0.01 -0.30 0.00 0.41 -1.16 0.00 0.00 179.01 177.97 1n88 n GLY 94 N -1.36 -1.44 0.00 -3.84 0.00 -1.10 -2.67 105.19 94.78 1n88 n GLY 94 Ca -0.07 0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.25 0.00 0.00 0.99 7.94 -0.48 -5.15 117.00 118.05 1n88 n LEU 95 Ca 0.03 0.39 0.09 0.00 -1.11 0.00 0.00 56.01 55.41 1n88 n LEU 95 Cb 0.30 -0.39 0.55 0.00 0.53 0.00 0.00 43.42 44.42 1n88 n LEU 95 CO 0.24 -0.23 0.75 -0.38 -1.11 0.00 0.00 177.39 176.65