#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 1.62 0.00 3.17 -2.85 -1.26 -4.19 119.74 116.23 1n88 s LYS 2 Ca 0.00 0.18 0.00 0.00 -1.00 0.00 0.00 55.97 55.15 1n88 s LYS 2 Cb 0.00 -4.87 0.00 0.00 -2.06 0.00 0.00 37.83 30.90 1n88 s LYS 2 CO 0.00 -4.56 0.00 0.25 0.10 0.00 0.00 175.35 171.14 1n88 n THR 3 N 8.73 0.00 0.00 3.79 -2.24 -1.26 -3.54 114.28 119.76 1n88 n THR 3 Ca 0.45 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.23 1n88 n THR 3 Cb 0.44 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n88 n ALA 4 N -0.47 0.00 -1.00 6.98 0.00 -1.26 -3.79 120.51 120.98 1n88 n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n88 n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -0.09 0.00 4.11 -1.26 -3.10 117.16 116.82 1n88 n TYR 5 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.88 1n88 n TYR 5 Cb 0.00 0.00 -0.01 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 0.00 -0.21 -4.77 9.48 -0.08 -1.26 -3.27 116.55 116.44 1n88 n ASP 6 Ca 0.00 0.39 -0.32 0.00 -1.51 0.00 0.00 54.79 53.35 1n88 n ASP 6 Cb 0.00 -0.06 0.06 0.00 2.34 0.00 0.00 41.12 43.46 1n88 n ASP 6 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1n88 s VAL 7 N -5.13 3.33 -0.34 5.18 1.01 -1.26 -1.14 120.40 122.04 1n88 s VAL 7 Ca -0.03 0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 1n88 s VAL 7 Cb 0.03 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1n88 s VAL 7 CO 0.14 -0.45 0.02 -0.38 0.00 0.00 0.00 175.10 174.43 1n88 n ILE 8 N -2.75 -0.27 0.00 2.22 5.41 -1.26 -4.47 119.36 118.24 1n88 n ILE 8 Ca 0.10 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1n88 n ILE 8 Cb 0.52 -0.26 0.00 0.00 -0.71 0.00 0.00 39.64 39.19 1n88 n ILE 8 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1n88 n LEU 9 N -1.83 0.00 -4.93 1.39 4.77 0.71 -4.73 117.00 112.39 1n88 n LEU 9 Ca -0.07 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.62 1n88 n LEU 9 Cb 0.16 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1n88 n LEU 9 CO 0.19 0.00 -0.11 0.00 -1.33 0.00 0.00 177.39 176.14 1n88 s ALA 10 N -2.76 3.98 0.54 -1.18 0.00 -1.08 -4.80 121.76 116.45 1n88 s ALA 10 Ca 0.00 -0.88 -0.17 0.00 0.00 0.00 0.00 51.96 50.91 1n88 s ALA 10 Cb 0.00 -1.84 -0.06 0.00 0.00 0.00 0.00 23.12 21.22 1n88 s ALA 10 CO 0.00 0.71 1.03 -1.25 0.00 0.00 0.00 175.76 176.25 1n88 s PRO 11 N -2.77 3.63 -0.34 0.00 0.04 -1.26 0.20 135.00 134.49 1n88 s PRO 11 Ca 0.35 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 62.54 1n88 s PRO 11 Cb -0.12 -2.08 0.08 0.00 0.04 0.00 0.00 34.50 32.41 1n88 s PRO 11 CO 0.28 -0.55 0.07 0.54 0.04 0.00 0.00 177.00 177.38 1n88 s VAL 12 N -2.41 2.95 -0.43 -0.36 0.11 -0.82 -4.73 120.40 114.71 1n88 s VAL 12 Ca 0.63 -1.76 -0.13 0.00 -2.93 0.00 0.00 61.98 57.79 1n88 s VAL 12 Cb -0.14 -2.88 0.06 0.00 -1.53 0.00 0.00 36.38 31.89 1n88 s VAL 12 CO 0.31 -0.37 0.32 -0.76 -3.33 0.00 0.00 175.10 171.27 1n88 s LEU 13 N 1.16 5.29 0.00 2.54 2.01 -1.26 -4.74 118.68 123.68 1n88 s LEU 13 Ca 0.01 -1.24 0.05 0.00 0.01 0.00 0.00 54.13 52.97 1n88 s LEU 13 Cb -0.21 -2.11 -0.02 0.00 0.01 0.00 0.00 46.19 43.86 1n88 s LEU 13 CO -0.03 -0.55 0.19 -1.20 1.01 0.00 0.00 176.35 175.77 1n88 n SER 14 N 5.10 0.24 0.10 2.29 7.64 -1.26 -4.95 113.62 122.78 1n88 n SER 14 Ca -0.12 -2.93 -0.05 0.00 1.01 0.00 0.00 58.87 56.78 1n88 n SER 14 Cb 0.44 1.21 -0.02 0.00 -1.01 0.00 0.00 64.21 64.83 1n88 n SER 14 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1n88 h GLU 15 N 0.00 -0.29 -0.58 1.43 5.08 -1.99 0.31 114.58 118.55 1n88 h GLU 15 Ca -0.24 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1n88 h GLU 15 Cb 1.07 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 1n88 h GLU 15 CO 0.37 -0.19 0.24 -0.22 -1.00 0.00 0.00 179.01 178.21 1n88 h LYS 16 N -0.30 0.43 -0.28 2.33 3.64 -1.98 -1.92 116.57 118.49 1n88 h LYS 16 Ca -0.02 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1n88 h LYS 16 Cb 0.24 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 1n88 h LYS 16 CO 0.02 0.28 0.03 0.00 -2.27 0.00 0.00 179.45 177.51 1n88 h ALA 17 N 1.38 0.27 -0.48 5.00 0.00 -1.87 0.62 119.26 124.18 1n88 h ALA 17 Ca 0.28 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.32 1n88 h ALA 17 Cb 0.31 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1n88 h ALA 17 CO -0.26 -0.39 0.32 1.88 0.00 0.00 0.00 179.25 180.80 1n88 h TYR 18 N 0.12 0.41 -0.00 0.00 0.05 0.35 2.09 116.97 119.99 1n88 h TYR 18 Ca 0.13 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1n88 h TYR 18 Cb 0.16 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.76 1n88 h TYR 18 CO -0.19 0.22 -0.46 0.00 -1.05 0.00 0.00 178.16 176.68 1n88 n ALA 19 N -2.51 3.48 -0.10 3.88 0.00 -0.42 -2.87 120.51 121.97 1n88 n ALA 19 Ca 0.06 -0.37 -0.14 0.00 0.00 0.00 0.00 53.44 52.99 1n88 n ALA 19 Cb 0.24 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.39 0.22 0.00 0.00 0.20 -4.29 105.19 102.40 1n88 n GLY 20 Ca 0.07 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.02 1.61 -0.00 0.31 -3.08 116.94 115.76 1n88 h PHE 21 Ca -0.48 0.00 0.01 0.00 -0.00 0.00 0.00 57.97 57.50 1n88 h PHE 21 Cb 1.80 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.75 1n88 h PHE 21 CO 0.02 0.00 0.16 0.00 -0.00 0.00 0.00 178.31 178.49 1n88 h ALA 22 N 2.08 1.23 -0.27 12.09 0.00 -1.67 0.14 119.26 132.87 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 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1n88 h ALA 22 CO 0.00 -0.17 0.00 -1.91 0.00 0.00 0.00 179.25 177.17 1n88 n GLU 23 N -3.09 2.44 -0.35 0.00 2.13 -1.16 -4.78 120.64 115.82 1n88 n GLU 23 Ca -0.02 -1.31 0.00 0.00 0.66 0.00 0.00 57.16 56.49 1n88 n GLU 23 Cb 0.23 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.26 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 0.47 0.69 3.79 8.31 0.00 0.43 -4.87 105.19 114.02 1n88 n GLY 24 Ca 0.12 0.00 -0.37 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 -0.65 4.47 -0.33 1.61 1.02 -0.83 -3.08 119.74 121.96 1n88 s LYS 25 Ca 0.00 1.14 0.01 0.00 0.02 0.00 0.00 55.97 57.14 1n88 s LYS 25 Cb 0.00 -2.93 0.10 0.00 -0.52 0.00 0.00 37.83 34.48 1n88 s LYS 25 CO 0.00 0.38 0.09 0.71 -0.92 0.00 0.00 175.35 175.61 1n88 s TYR 26 N -1.48 2.38 -0.00 3.18 2.02 0.55 -3.96 117.35 120.03 1n88 s TYR 26 Ca 0.45 -2.18 -0.30 0.00 -0.37 0.00 0.00 57.07 54.66 1n88 s TYR 26 Cb -0.19 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 1n88 s TYR 26 CO 0.24 -0.89 1.21 0.99 -1.57 0.00 0.00 175.55 175.52 1n88 s THR 27 N 1.31 4.13 0.22 -0.71 2.01 -1.15 0.11 115.64 121.57 1n88 s THR 27 Ca 0.11 1.50 0.03 0.00 0.31 0.00 0.00 61.69 63.64 1n88 s THR 27 Cb -0.18 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 1n88 s THR 27 CO -0.18 0.05 -0.01 0.12 -0.69 0.00 0.00 174.62 173.91 1n88 s PHE 28 N 1.72 1.52 -0.25 4.92 2.19 0.76 -1.94 117.98 126.90 1n88 s PHE 28 Ca 0.58 -0.92 -0.11 0.00 0.33 0.00 0.00 56.93 56.81 1n88 s PHE 28 Cb -0.27 -0.87 -0.05 0.00 -1.31 0.00 0.00 43.02 40.51 1n88 s PHE 28 CO 0.25 -0.05 0.17 -1.58 1.83 0.00 0.00 175.22 175.85 1n88 s TRP 29 N -3.43 3.28 0.13 10.12 0.52 0.53 0.43 118.94 130.52 1n88 s TRP 29 Ca 0.28 0.19 -0.04 0.00 0.02 0.00 0.00 56.10 56.55 1n88 s TRP 29 Cb 0.05 -2.31 -0.03 0.00 -1.15 0.00 0.00 33.47 30.04 1n88 s TRP 29 CO 0.08 -0.01 0.12 0.54 0.02 0.00 0.00 176.95 177.70 1n88 s VAL 30 N 1.30 0.10 0.59 4.03 0.11 0.27 0.25 120.40 127.05 1n88 s VAL 30 Ca 0.07 -1.72 -0.19 0.00 -2.93 0.00 0.00 61.98 57.21 1n88 s VAL 30 Cb -0.14 -1.93 -0.04 0.00 -1.53 0.00 0.00 36.38 32.74 1n88 s VAL 30 CO 0.07 -0.45 1.21 -2.28 -3.33 0.00 0.00 175.10 170.31 1n88 s HIS 31 N -4.01 2.41 -0.99 1.54 2.46 -0.30 -1.54 115.29 114.86 1n88 s HIS 31 Ca 0.20 1.51 -0.16 0.00 0.47 0.00 0.00 55.06 57.08 1n88 s HIS 31 Cb 0.06 -3.49 -0.09 0.00 -0.13 0.00 0.00 32.58 28.93 1n88 s HIS 31 CO 0.00 -2.20 2.08 -0.35 -2.47 0.00 0.00 174.74 171.80 1n88 n PRO 32 N -1.52 2.02 0.00 2.88 -0.04 -1.26 -2.75 135.00 134.33 1n88 n PRO 32 Ca 0.13 -1.95 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 1n88 n PRO 32 Cb 0.49 -2.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 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 6.07 0.00 -1.50 0.54 -0.00 -1.26 -5.07 118.16 116.94 1n88 n LYS 33 Ca 0.51 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.55 1n88 n LYS 33 Cb 0.34 0.00 -0.20 0.00 -0.00 0.00 0.00 35.03 35.17 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 0.88 -1.49 0.58 0.00 -1.11 -4.76 120.51 114.61 1n88 n ALA 34 Ca 0.00 -0.70 -0.44 0.00 0.00 0.00 0.00 53.44 52.30 1n88 n ALA 34 Cb 0.00 -2.41 -0.01 0.00 0.00 0.00 0.00 19.45 17.03 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 6.20 1.89 -0.36 0.00 -2.24 -1.26 -4.44 114.28 114.07 1n88 n THR 35 Ca 0.66 -0.50 0.30 0.00 -2.27 0.00 0.00 64.05 62.24 1n88 n THR 35 Cb 0.13 -0.57 0.56 0.00 -2.10 0.00 0.00 70.33 68.35 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 1.29 0.16 -0.11 -0.78 1.79 -1.95 1.45 116.57 118.41 1n88 h LYS 36 Ca -0.37 -0.01 -0.19 0.00 -2.18 0.00 0.00 60.65 57.90 1n88 h LYS 36 Cb 1.39 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 32.00 1n88 h LYS 36 CO 0.56 0.11 -0.72 1.15 -1.08 0.00 0.00 179.45 179.47 1n88 h THR 37 N 0.17 1.35 -0.67 -0.16 2.02 -1.96 -3.11 112.91 110.54 1n88 h THR 37 Ca 0.79 -2.06 0.02 0.00 0.77 0.00 0.00 66.41 65.93 1n88 h THR 37 Cb 2.10 2.04 -0.04 0.00 -1.74 0.00 0.00 68.15 70.51 1n88 h THR 37 CO -0.58 0.63 0.43 -0.33 0.37 0.00 0.00 175.52 176.04 1n88 h GLU 38 N 0.35 0.84 -0.26 6.66 4.39 0.17 0.46 114.58 127.19 1n88 h GLU 38 Ca -0.03 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.68 1n88 h GLU 38 Cb 1.30 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 1n88 h GLU 38 CO 0.13 0.56 0.18 0.82 -1.16 0.00 0.00 179.01 179.54 1n88 h ILE 39 N 0.86 0.90 -0.33 3.13 2.04 -1.18 -0.99 117.51 121.94 1n88 h ILE 39 Ca 0.26 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 66.06 1n88 h ILE 39 Cb -0.04 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1n88 h ILE 39 CO -0.08 0.01 0.05 0.50 0.00 0.00 0.00 178.15 178.63 1n88 h LYS 40 N 0.06 0.55 -0.02 2.37 3.64 -0.85 -2.68 116.57 119.63 1n88 h LYS 40 Ca 0.12 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1n88 h LYS 40 Cb 0.42 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1n88 h LYS 40 CO -0.01 0.64 -0.04 -0.91 -2.27 0.00 0.00 179.45 176.86 1n88 h ASN 41 N 0.38 0.07 -0.05 4.20 2.35 -0.85 -2.66 115.58 119.02 1n88 h ASN 41 Ca 0.10 -0.56 0.02 0.00 -0.55 0.00 0.00 56.30 55.31 1n88 h ASN 41 Cb 0.36 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 1n88 h ASN 41 CO 0.01 0.62 -0.09 0.00 -1.65 0.00 0.00 177.43 176.32 1n88 h ALA 42 N 0.45 -0.05 -0.92 -0.83 0.00 -1.34 -0.99 119.26 115.58 1n88 h ALA 42 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1n88 h ALA 42 Cb 0.60 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1n88 h ALA 42 CO 0.01 -0.56 0.60 0.28 0.00 0.00 0.00 179.25 179.58 1n88 h VAL 43 N -0.13 1.20 0.00 0.00 2.07 -1.58 -1.83 116.25 115.99 1n88 h VAL 43 Ca 0.05 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1n88 h VAL 43 Cb 0.20 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1n88 h VAL 43 CO -0.12 0.22 -0.27 -0.33 0.02 0.00 0.00 177.57 177.09 1n88 h GLU 44 N 1.21 0.00 -0.18 1.57 4.39 -1.05 -0.04 114.58 120.48 1n88 h GLU 44 Ca 0.35 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 1n88 h GLU 44 Cb -0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1n88 h GLU 44 CO -0.09 0.27 0.00 1.79 -1.16 0.00 0.00 179.01 179.82 1n88 h THR 45 N 0.00 1.25 0.00 1.13 1.35 -0.31 -0.01 112.91 116.32 1n88 h THR 45 Ca -0.00 -0.85 -0.06 0.00 -0.55 0.00 0.00 66.41 64.95 1n88 h THR 45 Cb 0.49 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 1n88 h THR 45 CO 0.03 0.26 -0.57 0.00 -0.25 0.00 0.00 175.52 174.99 1n88 h ALA 46 N 0.78 0.07 0.00 6.62 0.00 -1.42 -3.37 119.26 121.94 1n88 h ALA 46 Ca 0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1n88 h ALA 46 Cb 0.38 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1n88 h ALA 46 CO 0.01 0.43 -0.07 0.74 0.00 0.00 0.00 179.25 180.36 1n88 h PHE 47 N -1.00 0.00 -6.62 0.00 0.04 -1.17 -3.46 116.94 104.73 1n88 h PHE 47 Ca -0.09 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.15 1n88 h PHE 47 Cb 0.66 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.66 1n88 h PHE 47 CO -0.06 0.07 -0.82 1.63 -0.60 0.00 0.00 178.31 178.53 1n88 n LYS 48 N -3.18 -3.74 -0.21 1.51 5.02 -0.02 -4.90 118.16 112.64 1n88 n LYS 48 Ca 0.01 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1n88 n LYS 48 Cb 0.37 -5.14 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 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 -4.46 0.00 -3.92 -0.18 3.14 -1.26 -5.04 118.33 106.61 1n88 n VAL 49 Ca 0.03 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.07 1n88 n VAL 49 Cb 0.52 -0.86 -0.14 0.00 -1.06 0.00 0.00 33.84 32.30 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 1.83 2.64 -0.20 1.45 2.36 -1.26 -4.83 119.74 121.72 1n88 s LYS 50 Ca 0.00 -1.12 -0.29 0.00 -2.55 0.00 0.00 55.97 52.01 1n88 s LYS 50 Cb 0.00 -3.11 -0.00 0.00 -1.05 0.00 0.00 37.83 33.66 1n88 s LYS 50 CO 0.00 -0.52 1.15 0.08 1.55 0.00 0.00 175.35 177.61 1n88 s VAL 51 N 1.30 4.47 -0.16 4.02 1.01 -1.26 -3.79 120.40 125.99 1n88 s VAL 51 Ca -0.03 1.78 0.06 0.00 0.00 0.00 0.00 61.98 63.79 1n88 s VAL 51 Cb -0.18 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 31.96 1n88 s VAL 51 CO -0.02 -0.17 0.21 0.52 0.00 0.00 0.00 175.10 175.63 1n88 n VAL 52 N 5.38 0.00 -3.17 2.92 0.31 0.50 -4.90 118.33 119.37 1n88 n VAL 52 Ca 0.13 -0.26 0.05 0.00 -0.01 0.00 0.00 64.34 64.25 1n88 n VAL 52 Cb 0.45 0.71 -0.03 0.00 -0.91 0.00 0.00 33.84 34.06 1n88 n VAL 52 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1n88 s LYS 53 N -1.97 0.04 -0.13 5.55 1.02 -0.92 -4.92 119.74 118.41 1n88 s LYS 53 Ca 0.00 0.08 -0.01 0.00 0.02 0.00 0.00 55.97 56.06 1n88 s LYS 53 Cb 0.04 0.05 -0.02 0.00 -0.52 0.00 0.00 37.83 37.38 1n88 s LYS 53 CO 0.26 -0.03 -0.11 0.08 -0.92 0.00 0.00 175.35 174.63 1n88 s VAL 54 N 2.51 3.28 -0.15 3.17 1.01 -1.26 0.20 120.40 129.16 1n88 s VAL 54 Ca -0.05 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1n88 s VAL 54 Cb -0.05 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.99 1n88 s VAL 54 CO -0.12 0.52 -0.04 0.20 0.00 0.00 0.00 175.10 175.67 1n88 s ASN 55 N 0.25 2.60 0.27 3.32 -0.87 0.61 -4.88 114.94 116.24 1n88 s ASN 55 Ca -0.07 -0.56 0.10 0.00 -1.57 0.00 0.00 52.86 50.76 1n88 s ASN 55 Cb -0.15 -0.81 -0.04 0.00 -0.02 0.00 0.00 41.25 40.22 1n88 s ASN 55 CO 0.05 -0.19 -0.04 0.28 -2.57 0.00 0.00 177.10 174.63 1n88 s THR 56 N 1.71 3.21 0.16 1.60 -1.32 -1.25 0.27 115.64 120.01 1n88 s THR 56 Ca 0.02 -2.02 -0.03 0.00 -1.21 0.00 0.00 61.69 58.45 1n88 s THR 56 Cb -0.15 -2.73 -0.03 0.00 -1.51 0.00 0.00 72.50 68.08 1n88 s THR 56 CO -0.07 -0.37 0.13 -1.48 -2.21 0.00 0.00 174.62 170.61 1n88 s LEU 57 N -3.64 1.43 -0.24 9.08 0.05 0.11 -4.93 118.68 120.54 1n88 s LEU 57 Ca 0.31 -1.19 -0.29 0.00 0.05 0.00 0.00 54.13 53.02 1n88 s LEU 57 Cb -0.06 0.52 0.00 0.00 -2.05 0.00 0.00 46.19 44.60 1n88 s LEU 57 CO 0.19 -0.80 1.18 -2.28 -0.55 0.00 0.00 176.35 174.09 1n88 s HIS 58 N -4.06 3.00 -0.09 3.48 5.65 -1.26 -1.11 115.29 120.89 1n88 s HIS 58 Ca 0.26 1.14 0.04 0.00 0.25 0.00 0.00 55.06 56.75 1n88 s HIS 58 Cb 0.06 -3.56 -0.00 0.00 -1.18 0.00 0.00 32.58 27.90 1n88 s HIS 58 CO 0.04 -1.22 -0.23 0.14 -0.65 0.00 0.00 174.74 172.82 1n88 s VAL 59 N 3.62 2.13 -0.08 0.89 -7.23 -0.03 -4.89 120.40 114.81 1n88 s VAL 59 Ca 0.51 -1.00 -0.06 0.00 -1.81 0.00 0.00 61.98 59.61 1n88 s VAL 59 Cb -0.17 -1.81 0.03 0.00 0.56 0.00 0.00 36.38 34.99 1n88 s VAL 59 CO 0.14 0.56 0.19 -0.13 -0.31 0.00 0.00 175.10 175.55 1n88 s ARG 60 N 0.25 0.20 0.84 4.82 1.81 -1.26 -3.77 118.95 121.84 1n88 s ARG 60 Ca -0.16 0.32 -0.11 0.00 -1.72 0.00 0.00 55.73 54.06 1n88 s ARG 60 Cb -0.17 0.04 0.17 0.00 -0.45 0.00 0.00 34.95 34.53 1n88 s ARG 60 CO 0.08 -0.06 0.38 0.41 -0.68 0.00 0.00 175.30 175.43 1n88 n GLY 61 N 3.32 -2.12 2.67 -3.53 0.00 -1.26 -4.96 105.19 99.31 1n88 n GLY 61 Ca -0.16 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 1n88 n GLY 61 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1n88 n LYS 62 N -1.64 1.26 0.00 1.61 2.85 -1.26 -4.95 118.16 116.03 1n88 n LYS 62 Ca 0.06 -3.31 0.00 0.00 -1.05 0.00 0.00 58.31 54.01 1n88 n LYS 62 Cb 0.26 -1.31 0.00 0.00 -0.65 0.00 0.00 35.03 33.34 1n88 n LYS 62 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1n88 n LYS 63 N -0.13 0.00 0.00 -1.58 4.81 -1.26 -5.00 118.16 115.00 1n88 n LYS 63 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1n88 n LYS 63 Cb 0.81 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.86 1n88 n LYS 63 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1n88 n LYS 64 N 0.00 0.00 -0.87 1.64 4.81 -1.26 -4.50 118.16 117.98 1n88 n LYS 64 Ca 0.00 0.86 -0.33 0.00 -0.87 0.00 0.00 58.31 57.97 1n88 n LYS 64 Cb 0.00 -1.42 0.11 0.00 0.02 0.00 0.00 35.03 33.75 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 -2.56 -0.20 0.00 1.64 1.85 -1.26 -5.01 116.66 111.12 1n88 n ARG 65 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 1n88 n ARG 65 Cb 0.00 -1.85 0.00 0.00 -1.05 0.00 0.00 32.46 29.56 1n88 n ARG 65 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1n88 n LEU 66 N -1.15 0.00 -4.51 2.89 -0.00 -1.26 -4.92 117.00 108.05 1n88 n LEU 66 Ca 0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.79 1n88 n LEU 66 Cb 0.53 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.78 1n88 n LEU 66 CO 0.50 0.00 2.05 0.61 -0.00 0.00 0.00 177.39 180.56 1n88 n GLY 67 N 0.00 -0.41 0.89 -3.96 0.00 -1.26 -4.47 105.19 95.97 1n88 n GLY 67 Ca 0.00 0.49 -0.01 0.00 0.00 0.00 0.00 46.02 46.50 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 7.16 0.19 -1.57 1.61 1.74 -1.26 -5.02 116.66 119.52 1n88 n ARG 68 Ca 0.63 -0.41 -0.49 0.00 -0.77 0.00 0.00 57.85 56.82 1n88 n ARG 68 Cb 0.16 0.53 -0.04 0.00 -1.02 0.00 0.00 32.46 32.09 1n88 n ARG 68 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 1n88 n TYR 69 N -0.15 1.16 -4.48 -1.55 0.18 -1.26 -0.46 117.16 110.59 1n88 n TYR 69 Ca -0.01 0.72 -0.41 0.00 1.88 0.00 0.00 57.90 60.08 1n88 n TYR 69 Cb 0.14 -2.25 -0.08 0.00 -0.38 0.00 0.00 39.34 36.77 1n88 n TYR 69 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 1n88 n LEU 70 N 1.91 -0.96 -4.39 -3.48 0.00 -1.26 -4.90 117.00 103.91 1n88 n LEU 70 Ca 0.15 -1.22 -0.30 0.00 0.00 0.00 0.00 56.01 54.64 1n88 n LEU 70 Cb 0.25 -1.66 -0.13 0.00 0.00 0.00 0.00 43.42 41.87 1n88 n LEU 70 CO 0.61 0.17 -0.55 -0.83 0.00 0.00 0.00 177.39 176.78 1n88 s GLY 71 N -3.39 1.53 0.15 -3.96 0.00 0.39 -5.06 107.32 96.98 1n88 s GLY 71 Ca 0.73 -1.35 -0.23 0.00 0.00 0.00 0.00 44.72 43.87 1n88 s GLY 71 CO 1.01 -1.28 0.63 -1.59 0.00 0.00 0.00 173.10 171.87 1n88 s LYS 72 N -1.68 1.27 0.07 2.90 -2.85 -1.26 -4.45 119.74 113.74 1n88 s LYS 72 Ca 0.14 -0.48 -0.06 0.00 -1.00 0.00 0.00 55.97 54.56 1n88 s LYS 72 Cb -0.10 0.57 -0.05 0.00 -2.06 0.00 0.00 37.83 36.19 1n88 s LYS 72 CO 0.05 -0.56 0.32 0.50 0.10 0.00 0.00 175.35 175.77 1n88 s ARG 73 N -3.71 3.62 0.00 1.78 6.06 -1.26 -4.33 118.95 121.11 1n88 s ARG 73 Ca 0.02 -0.06 0.00 0.00 -2.50 0.00 0.00 55.73 53.19 1n88 s ARG 73 Cb -0.01 -2.98 0.00 0.00 0.06 0.00 0.00 34.95 32.01 1n88 s ARG 73 CO -0.12 0.57 0.00 -0.35 -2.50 0.00 0.00 175.30 172.90 1n88 n PRO 74 N 0.66 0.15 -3.78 5.12 -0.04 -1.26 -5.00 135.00 130.84 1n88 n PRO 74 Ca -0.07 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.04 1n88 n PRO 74 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.87 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 -1.31 4.98 -0.19 3.54 1.01 -1.26 -5.03 116.67 118.41 1n88 s ASP 75 Ca 0.00 -2.97 -0.01 0.00 0.71 0.00 0.00 52.55 50.29 1n88 s ASP 75 Cb 0.00 -1.79 0.05 0.00 1.01 0.00 0.00 42.92 42.19 1n88 s ASP 75 CO 0.00 -0.31 -0.03 -0.60 0.21 0.00 0.00 175.17 174.43 1n88 s ARG 76 N -0.23 1.30 -0.02 8.23 3.52 -1.25 -4.61 118.95 125.90 1n88 s ARG 76 Ca 0.18 -0.63 0.07 0.00 -0.13 0.00 0.00 55.73 55.21 1n88 s ARG 76 Cb -0.21 -2.20 -0.02 0.00 -1.56 0.00 0.00 34.95 30.96 1n88 s ARG 76 CO -0.03 -0.53 -0.22 0.21 -0.81 0.00 0.00 175.30 173.92 1n88 s LYS 77 N 1.61 1.85 0.02 5.12 2.20 -0.59 -0.85 119.74 129.10 1n88 s LYS 77 Ca -0.02 -0.78 -0.01 0.00 -0.36 0.00 0.00 55.97 54.80 1n88 s LYS 77 Cb -0.17 -1.75 -0.04 0.00 -1.51 0.00 0.00 37.83 34.37 1n88 s LYS 77 CO -0.07 0.45 0.15 0.15 -0.36 0.00 0.00 175.35 175.66 1n88 s LYS 78 N -0.44 3.27 -0.07 4.03 1.02 -0.27 0.94 119.74 128.22 1n88 s LYS 78 Ca 0.06 -0.44 0.01 0.00 0.02 0.00 0.00 55.97 55.63 1n88 s LYS 78 Cb -0.09 -2.97 0.02 0.00 -0.52 0.00 0.00 37.83 34.26 1n88 s LYS 78 CO -0.00 0.64 -0.07 0.00 -0.92 0.00 0.00 175.35 174.99 1n88 s ALA 79 N -1.33 1.02 -0.35 5.17 0.00 0.17 0.09 121.76 126.52 1n88 s ALA 79 Ca 0.28 -0.29 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 1n88 s ALA 79 Cb -0.12 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.41 1n88 s ALA 79 CO 0.20 -0.10 0.17 0.42 0.00 0.00 0.00 175.76 176.44 1n88 s ILE 80 N 1.10 4.39 -0.03 0.00 1.09 0.77 0.27 121.20 128.80 1n88 s ILE 80 Ca -0.07 -0.79 -0.10 0.00 -1.10 0.00 0.00 60.65 58.58 1n88 s ILE 80 Cb -0.14 -3.40 -0.05 0.00 -1.06 0.00 0.00 42.46 37.81 1n88 s ILE 80 CO -0.01 -0.13 0.29 -0.69 -0.10 0.00 0.00 174.94 174.30 1n88 s VAL 81 N 1.54 5.25 0.02 2.92 1.01 0.12 0.23 120.40 131.47 1n88 s VAL 81 Ca 0.02 0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.54 1n88 s VAL 81 Cb -0.19 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1n88 s VAL 81 CO 0.06 0.52 -0.25 -1.58 0.00 0.00 0.00 175.10 173.85 1n88 s GLN 82 N -1.29 1.83 0.18 2.72 2.00 0.52 0.21 119.66 125.83 1n88 s GLN 82 Ca 0.23 -0.98 0.08 0.00 -2.00 0.00 0.00 55.36 52.69 1n88 s GLN 82 Cb -0.14 -1.89 -0.04 0.00 0.80 0.00 0.00 33.01 31.73 1n88 s GLN 82 CO 0.11 0.50 -0.17 0.14 -0.50 0.00 0.00 175.29 175.37 1n88 s VAL 83 N -0.70 1.82 0.98 1.34 -7.23 -1.18 0.19 120.40 115.63 1n88 s VAL 83 Ca 0.10 -2.01 -0.21 0.00 -1.81 0.00 0.00 61.98 58.05 1n88 s VAL 83 Cb -0.10 -1.91 -0.06 0.00 0.56 0.00 0.00 36.38 34.87 1n88 s VAL 83 CO 0.01 -0.39 -0.80 0.00 -0.31 0.00 0.00 175.10 173.60 1n88 n ALA 84 N 0.08 -3.76 -1.00 1.32 0.00 -1.25 -4.66 120.51 111.24 1n88 n ALA 84 Ca -0.11 -1.19 -0.20 0.00 0.00 0.00 0.00 53.44 51.93 1n88 n ALA 84 Cb 0.58 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 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 0.80 2.38 0.00 0.00 -0.04 -1.26 -3.54 135.00 133.35 1n88 n PRO 85 Ca -0.00 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 1n88 n PRO 85 Cb 0.60 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 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 2.98 -0.29 1.13 0.55 0.00 -1.26 -5.14 105.19 103.15 1n88 n GLY 86 Ca 0.51 0.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.99 -0.82 0.00 1.61 3.00 -1.23 -5.03 117.38 112.91 1n88 n GLN 87 Ca 0.00 -0.31 0.00 0.00 -0.01 0.00 0.00 57.00 56.68 1n88 n GLN 87 Cb 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 30.24 29.67 1n88 n GLN 87 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1n88 n LYS 88 N -1.41 0.00 -1.39 -1.09 2.85 -1.26 -4.98 118.16 110.88 1n88 n LYS 88 Ca 0.03 0.00 -0.53 0.00 -1.05 0.00 0.00 58.31 56.76 1n88 n LYS 88 Cb 0.13 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.42 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 0.13 0.34 0.58 5.41 -1.26 -4.74 119.36 119.81 1n88 n ILE 89 Ca 0.00 -0.18 0.12 0.00 1.00 0.00 0.00 62.75 63.68 1n88 n ILE 89 Cb 0.00 -1.30 0.51 0.00 -0.71 0.00 0.00 39.64 38.14 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 8.01 0.18 -0.21 0.38 -0.58 -1.26 -2.59 120.64 124.57 1n88 n GLU 90 Ca 0.46 0.48 0.06 0.00 -0.42 0.00 0.00 57.16 57.73 1n88 n GLU 90 Cb 0.15 -1.89 0.33 0.00 -0.57 0.00 0.00 31.44 29.46 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 2.20 1.66 0.00 0.62 0.00 -1.97 -2.86 119.26 118.91 1n88 h ALA 91 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1n88 h ALA 91 Cb 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1n88 h ALA 91 CO 0.00 0.22 -1.74 1.28 0.00 0.00 0.00 179.25 179.00 1n88 n LEU 92 N -4.48 0.00 0.14 0.00 4.77 -1.14 -3.91 117.00 112.38 1n88 n LEU 92 Ca 0.11 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.15 1n88 n LEU 92 Cb 0.22 0.12 0.52 0.00 -2.33 0.00 0.00 43.42 41.95 1n88 n LEU 92 CO 0.33 0.12 1.08 -0.33 -1.33 0.00 0.00 177.39 177.26 1n88 h GLU 93 N 0.00 0.25 0.00 3.23 4.39 -1.38 -1.97 114.58 119.10 1n88 h GLU 93 Ca -0.13 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1n88 h GLU 93 Cb 1.06 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1n88 h GLU 93 CO 0.01 0.20 -1.24 0.41 -1.16 0.00 0.00 179.01 177.22 1n88 n GLY 94 N -1.42 -1.02 0.01 -3.84 0.00 -1.09 -4.11 105.19 93.73 1n88 n GLY 94 Ca -0.00 -0.56 0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.72 0.13 0.00 0.99 7.94 -0.76 -5.13 117.00 118.44 1n88 n LEU 95 Ca 0.02 0.49 0.09 0.00 -1.11 0.00 0.00 56.01 55.50 1n88 n LEU 95 Cb 0.40 -0.47 0.52 0.00 0.53 0.00 0.00 43.42 44.40 1n88 n LEU 95 CO 0.43 -0.02 0.72 2.30 -1.11 0.00 0.00 177.39 179.71