#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 3.23 0.00 3.17 4.01 -1.26 -4.51 118.16 122.80 1n88 n LYS 2 Ca 0.00 -3.32 0.00 0.00 -0.51 0.00 0.00 58.31 54.48 1n88 n LYS 2 Cb 0.00 -3.25 0.00 0.00 -0.51 0.00 0.00 35.03 31.27 1n88 n LYS 2 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1n88 n THR 3 N 5.20 0.00 0.02 -0.18 5.66 -1.26 -4.49 114.28 119.22 1n88 n THR 3 Ca 0.45 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.42 1n88 n THR 3 Cb 0.42 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.10 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1n88 h ALA 4 N 1.00 0.68 -0.89 1.79 0.00 -1.78 -2.68 119.26 117.38 1n88 h ALA 4 Ca 0.00 -1.07 0.26 0.00 0.00 0.00 0.00 54.91 54.10 1n88 h ALA 4 Cb 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1n88 h ALA 4 CO 0.00 1.18 0.97 2.48 0.00 0.00 0.00 179.25 183.88 1n88 n TYR 5 N -3.00 0.00 0.18 0.00 4.11 -1.26 -2.48 117.16 114.71 1n88 n TYR 5 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.79 1n88 n TYR 5 Cb 0.92 -0.22 0.00 0.00 -0.00 0.00 0.00 39.34 40.04 1n88 n TYR 5 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 1n88 n ASP 6 N -2.88 -3.21 0.00 9.48 8.00 -1.26 -4.88 116.55 121.80 1n88 n ASP 6 Ca 0.20 0.73 0.00 0.00 0.71 0.00 0.00 54.79 56.43 1n88 n ASP 6 Cb 1.24 3.09 0.00 0.00 -0.02 0.00 0.00 41.12 45.43 1n88 n ASP 6 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1n88 n VAL 7 N -3.25 0.00 -3.13 2.53 0.31 -1.23 -3.01 118.33 110.56 1n88 n VAL 7 Ca 0.00 1.33 -0.34 0.00 -0.01 0.00 0.00 64.34 65.32 1n88 n VAL 7 Cb 0.00 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 30.99 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 -2.20 3.95 0.00 2.52 5.41 -1.01 -3.59 119.36 124.43 1n88 n ILE 8 Ca 0.00 -5.62 0.00 0.00 1.00 0.00 0.00 62.75 58.13 1n88 n ILE 8 Cb 0.00 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 36.98 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 0.78 0.00 -4.92 1.39 4.77 -1.03 -4.47 117.00 113.53 1n88 n LEU 9 Ca 0.30 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.98 1n88 n LEU 9 Cb 0.36 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 1n88 n LEU 9 CO 0.53 0.00 -0.11 0.00 -1.33 0.00 0.00 177.39 176.48 1n88 s ALA 10 N -2.29 3.97 0.73 -1.18 0.00 -1.26 -4.93 121.76 116.80 1n88 s ALA 10 Ca 0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.04 1n88 s ALA 10 Cb 0.00 -1.88 0.03 0.00 0.00 0.00 0.00 23.12 21.27 1n88 s ALA 10 CO 0.00 0.77 1.07 -1.25 0.00 0.00 0.00 175.76 176.36 1n88 s PRO 11 N -2.61 2.61 -0.29 0.00 0.04 -1.26 -2.09 135.00 131.40 1n88 s PRO 11 Ca 0.36 0.81 -0.01 0.00 0.04 0.00 0.00 61.00 62.20 1n88 s PRO 11 Cb -0.13 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.50 1n88 s PRO 11 CO 0.28 -1.29 -0.02 0.54 0.04 0.00 0.00 177.00 176.54 1n88 s VAL 12 N -3.10 2.89 -0.43 -0.36 0.11 -0.82 -4.74 120.40 113.94 1n88 s VAL 12 Ca 0.59 -1.39 -0.13 0.00 -2.93 0.00 0.00 61.98 58.12 1n88 s VAL 12 Cb -0.14 -2.65 0.06 0.00 -1.53 0.00 0.00 36.38 32.12 1n88 s VAL 12 CO 0.55 -0.08 0.32 -0.76 -3.33 0.00 0.00 175.10 171.80 1n88 s LEU 13 N 1.24 5.27 0.29 2.54 2.01 -1.26 -4.70 118.68 124.07 1n88 s LEU 13 Ca -0.05 -1.22 0.03 0.00 0.01 0.00 0.00 54.13 52.90 1n88 s LEU 13 Cb -0.20 -2.11 -0.04 0.00 0.01 0.00 0.00 46.19 43.86 1n88 s LEU 13 CO -0.02 -0.54 0.18 -0.44 1.01 0.00 0.00 176.35 176.54 1n88 s SER 14 N 2.14 1.25 0.04 2.29 0.01 -1.26 -4.95 113.70 113.22 1n88 s SER 14 Ca 0.04 -1.57 -0.16 0.00 1.31 0.00 0.00 55.95 55.57 1n88 s SER 14 Cb -0.22 0.43 -0.08 0.00 0.21 0.00 0.00 66.02 66.36 1n88 s SER 14 CO 0.06 -0.92 1.25 -0.33 0.41 0.00 0.00 173.24 173.71 1n88 h GLU 15 N 2.29 -0.46 -0.76 12.44 5.08 -1.98 1.11 114.58 132.30 1n88 h GLU 15 Ca -0.32 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.21 1n88 h GLU 15 Cb 1.25 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.55 1n88 h GLU 15 CO 0.48 -0.31 0.50 -0.22 -1.00 0.00 0.00 179.01 178.47 1n88 h LYS 16 N -0.48 0.47 -0.01 2.33 3.64 -1.98 -1.21 116.57 119.34 1n88 h LYS 16 Ca -0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1n88 h LYS 16 Cb 0.40 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1n88 h LYS 16 CO -0.01 0.31 -0.03 0.00 -2.27 0.00 0.00 179.45 177.45 1n88 h ALA 17 N 1.64 0.02 -0.32 5.00 0.00 -1.78 -1.01 119.26 122.81 1n88 h ALA 17 Ca 0.37 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1n88 h ALA 17 Cb 0.76 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1n88 h ALA 17 CO -0.13 -0.16 0.22 1.88 0.00 0.00 0.00 179.25 181.06 1n88 h TYR 18 N -0.54 0.19 -0.00 0.00 0.05 0.19 2.02 116.97 118.88 1n88 h TYR 18 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1n88 h TYR 18 Cb 0.63 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.31 1n88 h TYR 18 CO 0.13 0.10 -0.45 0.00 -1.05 0.00 0.00 178.16 176.90 1n88 n ALA 19 N -2.55 3.45 -0.07 3.88 0.00 -0.52 -3.07 120.51 121.64 1n88 n ALA 19 Ca 0.04 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 53.01 1n88 n ALA 19 Cb 0.26 -1.11 -0.09 0.00 0.00 0.00 0.00 19.45 18.51 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 1.45 -0.40 0.16 0.00 0.00 0.15 -4.37 105.19 102.18 1n88 n GLY 20 Ca 0.07 -0.15 0.13 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 -0.00 1.61 -0.00 0.30 -3.13 116.94 115.72 1n88 h PHE 21 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.62 1n88 h PHE 21 Cb 1.66 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.61 1n88 h PHE 21 CO 0.01 0.00 0.05 0.00 -0.00 0.00 0.00 178.31 178.37 1n88 h ALA 22 N 2.27 1.08 -0.28 12.09 0.00 -1.69 -0.04 119.26 132.70 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 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1n88 h ALA 22 CO 0.00 -0.05 0.00 -1.91 0.00 0.00 0.00 179.25 177.29 1n88 n GLU 23 N -3.10 2.48 -0.28 0.00 2.13 -1.18 -4.78 120.64 115.91 1n88 n GLU 23 Ca -0.03 -1.35 0.00 0.00 0.66 0.00 0.00 57.16 56.44 1n88 n GLU 23 Cb 0.11 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.14 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 0.48 0.65 3.78 8.31 0.00 -0.07 -4.87 105.19 113.47 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 -0.71 4.54 -0.22 1.61 1.02 -0.92 -2.68 119.74 122.38 1n88 s LYS 25 Ca 0.00 1.20 -0.00 0.00 0.02 0.00 0.00 55.97 57.18 1n88 s LYS 25 Cb 0.00 -3.00 0.06 0.00 -0.52 0.00 0.00 37.83 34.37 1n88 s LYS 25 CO 0.00 0.41 -0.03 0.71 -0.92 0.00 0.00 175.35 175.52 1n88 s TYR 26 N -1.42 1.97 0.01 3.18 2.02 0.25 -3.95 117.35 119.41 1n88 s TYR 26 Ca 0.44 -1.45 -0.28 0.00 -0.37 0.00 0.00 57.07 55.40 1n88 s TYR 26 Cb -0.20 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 39.91 1n88 s TYR 26 CO 0.25 -0.72 0.91 0.99 -1.57 0.00 0.00 175.55 175.41 1n88 s THR 27 N 1.54 4.83 0.29 -0.71 2.01 -1.18 0.20 115.64 122.62 1n88 s THR 27 Ca -0.04 1.92 0.07 0.00 0.31 0.00 0.00 61.69 63.95 1n88 s THR 27 Cb -0.18 -4.25 -0.06 0.00 0.01 0.00 0.00 72.50 68.02 1n88 s THR 27 CO -0.07 0.22 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.66 1n88 s PHE 28 N 0.71 2.04 -0.25 4.92 0.08 0.69 -1.94 117.98 124.24 1n88 s PHE 28 Ca 0.47 -0.67 -0.09 0.00 0.12 0.00 0.00 56.93 56.77 1n88 s PHE 28 Cb -0.21 -1.18 -0.04 0.00 -0.57 0.00 0.00 43.02 41.03 1n88 s PHE 28 CO 0.26 0.33 0.12 -1.58 -0.10 0.00 0.00 175.22 174.25 1n88 s TRP 29 N -2.94 3.18 0.08 0.36 0.23 -0.89 0.90 118.94 119.86 1n88 s TRP 29 Ca 0.30 -0.09 -0.01 0.00 -2.03 0.00 0.00 56.10 54.27 1n88 s TRP 29 Cb 0.04 -2.26 -0.04 0.00 0.03 0.00 0.00 33.47 31.24 1n88 s TRP 29 CO 0.13 -0.16 -0.01 0.54 0.96 0.00 0.00 176.95 178.41 1n88 s VAL 30 N 1.38 0.25 0.50 4.03 0.11 -0.76 -3.09 120.40 122.83 1n88 s VAL 30 Ca 0.06 -1.85 -0.20 0.00 -2.93 0.00 0.00 61.98 57.06 1n88 s VAL 30 Cb -0.15 -1.70 -0.08 0.00 -1.53 0.00 0.00 36.38 32.93 1n88 s VAL 30 CO 0.06 -0.83 1.05 -2.28 -3.33 0.00 0.00 175.10 169.77 1n88 s HIS 31 N -3.92 2.94 -0.78 1.54 2.46 -1.24 -3.95 115.29 112.35 1n88 s HIS 31 Ca 0.13 1.57 -0.17 0.00 0.47 0.00 0.00 55.06 57.05 1n88 s HIS 31 Cb 0.08 -3.10 -0.13 0.00 -0.13 0.00 0.00 32.58 29.29 1n88 s HIS 31 CO -0.06 -0.97 1.95 -0.35 -2.47 0.00 0.00 174.74 172.84 1n88 n PRO 32 N -1.08 1.60 0.00 2.88 -0.04 -1.26 -2.45 135.00 134.64 1n88 n PRO 32 Ca 0.10 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 1n88 n PRO 32 Cb 0.52 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 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 6.23 0.00 -1.51 0.54 -0.00 -1.26 -5.07 118.16 117.09 1n88 n LYS 33 Ca 0.47 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.47 1n88 n LYS 33 Cb 0.32 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 35.19 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 0.66 -1.34 0.58 0.00 -1.03 -4.71 120.51 114.67 1n88 n ALA 34 Ca 0.00 -0.65 -0.52 0.00 0.00 0.00 0.00 53.44 52.27 1n88 n ALA 34 Cb 0.00 -2.51 -0.07 0.00 0.00 0.00 0.00 19.45 16.87 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 6.94 0.16 -0.32 0.00 -2.24 -1.26 -4.53 114.28 113.03 1n88 n THR 35 Ca 0.62 -0.04 0.19 0.00 -2.27 0.00 0.00 64.05 62.55 1n88 n THR 35 Cb 0.16 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 68.78 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 2.54 0.13 -0.49 -0.78 1.57 -1.99 0.91 116.57 118.46 1n88 h LYS 36 Ca -0.44 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 1n88 h LYS 36 Cb 1.29 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 1n88 h LYS 36 CO 0.58 0.08 0.26 1.15 -0.57 0.00 0.00 179.45 180.95 1n88 h THR 37 N 0.13 1.18 -0.94 -0.16 2.02 -1.96 -2.11 112.91 111.06 1n88 h THR 37 Ca 0.66 -0.46 0.11 0.00 0.77 0.00 0.00 66.41 67.49 1n88 h THR 37 Cb 1.48 0.58 -0.07 0.00 -1.74 0.00 0.00 68.15 68.40 1n88 h THR 37 CO -0.74 0.19 0.60 -0.33 0.37 0.00 0.00 175.52 175.61 1n88 h GLU 38 N 0.65 0.90 -0.33 6.66 4.39 0.52 0.42 114.58 127.80 1n88 h GLU 38 Ca 0.17 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.89 1n88 h GLU 38 Cb 0.07 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1n88 h GLU 38 CO -0.03 0.60 0.23 0.82 -1.16 0.00 0.00 179.01 179.47 1n88 h ILE 39 N 0.93 0.89 -0.15 3.13 2.04 -0.60 0.41 117.51 124.16 1n88 h ILE 39 Ca 0.45 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 66.24 1n88 h ILE 39 Cb 0.46 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1n88 h ILE 39 CO -0.21 0.02 -0.05 0.50 0.00 0.00 0.00 178.15 178.40 1n88 h LYS 40 N 0.10 0.30 -0.06 2.37 3.64 -0.04 -3.08 116.57 119.80 1n88 h LYS 40 Ca 0.15 -0.12 -0.18 0.00 -1.27 0.00 0.00 60.65 59.23 1n88 h LYS 40 Cb 0.47 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1n88 h LYS 40 CO -0.02 0.60 -0.73 -0.91 -2.27 0.00 0.00 179.45 176.13 1n88 h ASN 41 N -0.01 0.41 -0.04 4.20 2.35 -0.83 -2.75 115.58 118.91 1n88 h ASN 41 Ca 0.04 -0.27 0.02 0.00 -0.55 0.00 0.00 56.30 55.53 1n88 h ASN 41 Cb 0.50 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1n88 h ASN 41 CO 0.02 1.01 -0.05 0.00 -1.65 0.00 0.00 177.43 176.75 1n88 h ALA 42 N 0.98 -0.01 -0.14 -0.83 0.00 -0.24 1.15 119.26 120.17 1n88 h ALA 42 Ca -0.03 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1n88 h ALA 42 Cb 1.30 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1n88 h ALA 42 CO 0.12 -0.53 -0.36 -0.39 0.00 0.00 0.00 179.25 178.09 1n88 h VAL 43 N -0.07 1.29 -0.38 0.00 -1.51 -1.61 0.53 116.25 114.50 1n88 h VAL 43 Ca 0.04 -1.42 -0.11 0.00 -1.23 0.00 0.00 66.70 63.98 1n88 h VAL 43 Cb 0.12 1.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1n88 h VAL 43 CO -0.08 0.43 -0.19 -0.33 -1.23 0.00 0.00 177.57 176.16 1n88 h GLU 44 N 0.25 0.80 0.00 5.19 4.39 -1.04 2.25 114.58 126.42 1n88 h GLU 44 Ca 0.03 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1n88 h GLU 44 Cb 0.76 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1n88 h GLU 44 CO 0.06 0.98 0.00 2.41 -1.16 0.00 0.00 179.01 181.30 1n88 n THR 45 N -4.26 0.38 -0.01 1.13 -1.04 0.39 -2.23 114.28 108.63 1n88 n THR 45 Ca -0.02 -0.15 -0.03 0.00 -2.04 0.00 0.00 64.05 61.81 1n88 n THR 45 Cb 0.42 -0.58 -0.01 0.00 -1.82 0.00 0.00 70.33 68.34 1n88 n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n88 n ALA 46 N -1.67 1.94 0.24 2.41 0.00 0.18 -4.68 120.51 118.93 1n88 n ALA 46 Ca 0.06 -0.32 0.12 0.00 0.00 0.00 0.00 53.44 53.30 1n88 n ALA 46 Cb 0.38 0.12 0.51 0.00 0.00 0.00 0.00 19.45 20.46 1n88 n ALA 46 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1n88 h PHE 47 N -0.36 0.00 -4.53 0.00 0.04 0.35 -3.47 116.94 108.98 1n88 h PHE 47 Ca 0.00 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.52 1n88 h PHE 47 Cb 0.36 0.00 0.11 0.00 2.20 0.00 0.00 35.95 38.62 1n88 h PHE 47 CO -0.15 0.14 -0.52 1.63 -0.60 0.00 0.00 178.31 178.81 1n88 n LYS 48 N -3.28 -4.99 -0.98 1.51 5.02 -0.51 -4.98 118.16 109.94 1n88 n LYS 48 Ca 0.00 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1n88 n LYS 48 Cb 0.40 -4.88 0.00 0.00 -0.02 0.00 0.00 35.03 30.52 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 -3.55 0.00 -4.00 -0.18 3.14 -1.26 -5.04 118.33 107.43 1n88 n VAL 49 Ca -0.14 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 60.92 1n88 n VAL 49 Cb 0.59 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.23 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 -0.46 2.07 0.26 1.45 2.36 -1.26 -4.70 119.74 119.46 1n88 s LYS 50 Ca 0.00 -1.50 -0.29 0.00 -2.55 0.00 0.00 55.97 51.62 1n88 s LYS 50 Cb 0.00 -3.08 -0.09 0.00 -1.05 0.00 0.00 37.83 33.61 1n88 s LYS 50 CO 0.00 -0.71 0.97 0.08 1.55 0.00 0.00 175.35 177.24 1n88 s VAL 51 N 1.08 3.96 -0.09 4.02 1.01 -1.26 -2.12 120.40 127.00 1n88 s VAL 51 Ca -0.02 1.93 0.01 0.00 0.00 0.00 0.00 61.98 63.91 1n88 s VAL 51 Cb -0.20 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 1n88 s VAL 51 CO -0.05 0.43 0.22 0.55 0.00 0.00 0.00 175.10 176.25 1n88 n VAL 52 N 1.31 0.00 -3.65 2.92 3.14 0.57 -4.68 118.33 117.95 1n88 n VAL 52 Ca -0.01 -0.48 0.02 0.00 -2.96 0.00 0.00 64.34 60.90 1n88 n VAL 52 Cb 0.47 1.01 -0.06 0.00 -1.06 0.00 0.00 33.84 34.20 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 -0.75 0.03 -0.10 1.45 -2.85 -1.12 -4.91 119.74 111.47 1n88 s LYS 53 Ca 0.01 0.05 0.04 0.00 -1.00 0.00 0.00 55.97 55.07 1n88 s LYS 53 Cb 0.01 0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.79 1n88 s LYS 53 CO 0.04 -0.01 -0.23 0.08 0.10 0.00 0.00 175.35 175.33 1n88 s VAL 54 N 0.86 2.03 -0.15 1.79 1.01 -1.26 0.15 120.40 124.83 1n88 s VAL 54 Ca -0.05 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 1n88 s VAL 54 Cb -0.03 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.63 1n88 s VAL 54 CO -0.11 0.55 -0.03 0.20 0.00 0.00 0.00 175.10 175.72 1n88 s ASN 55 N 0.40 2.52 0.26 3.32 0.01 0.78 -4.90 114.94 117.34 1n88 s ASN 55 Ca -0.18 -0.54 0.10 0.00 -0.71 0.00 0.00 52.86 51.54 1n88 s ASN 55 Cb -0.18 -0.74 -0.05 0.00 0.41 0.00 0.00 41.25 40.69 1n88 s ASN 55 CO 0.08 -0.20 -0.08 0.28 -1.51 0.00 0.00 177.10 175.67 1n88 s THR 56 N 1.76 3.10 -0.06 1.60 -1.32 -1.26 0.27 115.64 119.72 1n88 s THR 56 Ca 0.02 -2.06 -0.12 0.00 -1.21 0.00 0.00 61.69 58.32 1n88 s THR 56 Cb -0.15 -2.64 0.02 0.00 -1.51 0.00 0.00 72.50 68.23 1n88 s THR 56 CO -0.07 -0.36 0.28 -1.48 -2.21 0.00 0.00 174.62 170.78 1n88 s LEU 57 N -3.56 0.94 -0.54 9.08 2.34 0.36 -4.93 118.68 122.37 1n88 s LEU 57 Ca 0.30 0.32 -0.27 0.00 0.06 0.00 0.00 54.13 54.54 1n88 s LEU 57 Cb -0.06 1.07 -0.01 0.00 -0.56 0.00 0.00 46.19 46.63 1n88 s LEU 57 CO 0.18 -0.26 1.74 -2.28 -1.06 0.00 0.00 176.35 174.67 1n88 s HIS 58 N -0.55 1.85 -0.43 3.48 2.46 -1.26 -1.14 115.29 119.69 1n88 s HIS 58 Ca -0.07 0.67 -0.18 0.00 0.47 0.00 0.00 55.06 55.95 1n88 s HIS 58 Cb -0.04 -4.18 0.03 0.00 -0.13 0.00 0.00 32.58 28.26 1n88 s HIS 58 CO 0.02 -2.37 0.49 0.08 -2.47 0.00 0.00 174.74 170.49 1n88 s VAL 59 N 7.85 5.03 -0.09 0.89 1.01 1.00 -4.91 120.40 131.18 1n88 s VAL 59 Ca 0.66 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.33 1n88 s VAL 59 Cb -0.14 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1n88 s VAL 59 CO 0.24 -0.50 -0.14 -0.13 0.00 0.00 0.00 175.10 174.58 1n88 s ARG 60 N 2.27 2.99 -0.37 2.72 1.81 -1.26 -0.42 118.95 126.70 1n88 s ARG 60 Ca 0.14 -0.70 -0.25 0.00 -1.72 0.00 0.00 55.73 53.20 1n88 s ARG 60 Cb -0.17 -2.51 0.01 0.00 -0.45 0.00 0.00 34.95 31.83 1n88 s ARG 60 CO 0.14 0.39 0.88 0.20 -0.68 0.00 0.00 175.30 176.22 1n88 s GLY 61 N -0.11 1.60 0.26 -3.53 0.00 0.20 -4.96 107.32 100.77 1n88 s GLY 61 Ca -0.02 -0.52 -0.04 0.00 0.00 0.00 0.00 44.72 44.14 1n88 s GLY 61 CO 0.04 1.92 0.13 0.28 0.00 0.00 0.00 173.10 175.47 1n88 n LYS 62 N 6.65 -1.16 -0.02 2.90 4.76 -1.26 -4.71 118.16 125.31 1n88 n LYS 62 Ca 0.06 -0.22 0.22 0.00 -2.87 0.00 0.00 58.31 55.50 1n88 n LYS 62 Cb 0.48 -0.35 0.71 0.00 -1.84 0.00 0.00 35.03 34.03 1n88 n LYS 62 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1n88 h LYS 63 N 0.00 0.00 -5.06 1.97 3.64 -1.96 -3.41 116.57 111.75 1n88 h LYS 63 Ca -0.06 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.82 1n88 h LYS 63 Cb 0.20 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 1n88 h LYS 63 CO 0.04 0.00 1.74 1.63 -2.27 0.00 0.00 179.45 180.59 1n88 n LYS 64 N -4.24 0.08 0.19 1.90 4.01 -1.26 -4.20 118.16 114.64 1n88 n LYS 64 Ca 0.11 -0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 1n88 n LYS 64 Cb 0.68 -1.66 0.00 0.00 -0.51 0.00 0.00 35.03 33.54 1n88 n LYS 64 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1n88 n ARG 65 N 8.53 0.00 -1.51 1.97 1.74 -1.26 -4.26 116.66 121.88 1n88 n ARG 65 Ca 0.64 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 57.37 1n88 n ARG 65 Cb 0.07 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.35 1n88 n ARG 65 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1n88 n LEU 66 N -3.27 -0.06 -3.22 0.55 7.94 -1.26 -2.92 117.00 114.77 1n88 n LEU 66 Ca 0.00 -0.14 -0.10 0.00 -1.11 0.00 0.00 56.01 54.66 1n88 n LEU 66 Cb 0.00 -0.87 0.01 0.00 0.53 0.00 0.00 43.42 43.09 1n88 n LEU 66 CO 0.00 -1.06 -0.43 0.61 -1.11 0.00 0.00 177.39 175.40 1n88 n GLY 67 N 6.18 -0.35 2.99 -3.96 0.00 -1.26 -4.99 105.19 103.80 1n88 n GLY 67 Ca 0.64 0.35 -0.13 0.00 0.00 0.00 0.00 46.02 46.88 1n88 n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n88 s ARG 68 N -1.44 0.15 0.13 1.61 0.52 -1.15 -5.07 118.95 113.71 1n88 s ARG 68 Ca 0.10 0.42 -0.34 0.00 -0.52 0.00 0.00 55.73 55.39 1n88 s ARG 68 Cb -0.01 -0.12 -0.17 0.00 0.52 0.00 0.00 34.95 35.17 1n88 s ARG 68 CO 0.29 -0.15 1.04 2.48 0.02 0.00 0.00 175.30 178.98 1n88 n TYR 69 N 4.07 0.84 -4.38 -0.53 4.11 -1.26 0.31 117.16 120.32 1n88 n TYR 69 Ca -0.24 0.82 -0.39 0.00 -0.00 0.00 0.00 57.90 58.09 1n88 n TYR 69 Cb 0.53 -2.18 -0.05 0.00 -0.00 0.00 0.00 39.34 37.64 1n88 n TYR 69 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.86 176.75 1n88 n LEU 70 N 1.91 -1.28 0.00 -3.48 7.94 -1.26 -4.90 117.00 115.93 1n88 n LEU 70 Ca 0.17 -1.13 0.00 0.00 -1.11 0.00 0.00 56.01 53.94 1n88 n LEU 70 Cb 0.20 -1.85 0.00 0.00 0.53 0.00 0.00 43.42 42.30 1n88 n LEU 70 CO 0.60 0.21 0.00 0.61 -1.11 0.00 0.00 177.39 177.70 1n88 n GLY 71 N -1.27 0.68 4.10 -3.96 0.00 0.15 -4.82 105.19 100.07 1n88 n GLY 71 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.23 -3.48 1.61 4.76 -1.26 -4.88 118.16 113.69 1n88 n LYS 72 Ca 0.00 0.19 -0.43 0.00 -2.87 0.00 0.00 58.31 55.20 1n88 n LYS 72 Cb 0.00 -3.50 -0.08 0.00 -1.84 0.00 0.00 35.03 29.61 1n88 n LYS 72 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1n88 s ARG 73 N -7.08 2.78 0.00 1.97 0.52 -1.26 -5.06 118.95 110.82 1n88 s ARG 73 Ca 0.21 -1.49 0.00 0.00 -0.52 0.00 0.00 55.73 53.93 1n88 s ARG 73 Cb -0.11 -4.00 0.00 0.00 0.52 0.00 0.00 34.95 31.37 1n88 s ARG 73 CO 0.95 -1.06 0.00 -0.35 0.02 0.00 0.00 175.30 174.87 1n88 n PRO 74 N 5.07 0.32 -3.79 3.54 -0.04 -1.26 -3.10 135.00 135.73 1n88 n PRO 74 Ca -0.11 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.00 1n88 n PRO 74 Cb 0.43 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.78 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 -1.13 4.95 0.05 3.54 1.11 -1.26 0.61 116.67 124.53 1n88 s ASP 75 Ca 0.00 -2.94 0.01 0.00 0.18 0.00 0.00 52.55 49.81 1n88 s ASP 75 Cb 0.00 -1.79 -0.03 0.00 1.07 0.00 0.00 42.92 42.17 1n88 s ASP 75 CO 0.00 -0.32 -0.06 -0.60 1.18 0.00 0.00 175.17 175.37 1n88 s ARG 76 N -0.18 0.57 -0.07 8.23 6.06 0.44 -4.95 118.95 129.05 1n88 s ARG 76 Ca 0.17 -0.93 -0.08 0.00 -2.50 0.00 0.00 55.73 52.39 1n88 s ARG 76 Cb -0.22 -0.11 -0.04 0.00 0.06 0.00 0.00 34.95 34.64 1n88 s ARG 76 CO -0.02 -0.01 0.20 -1.59 -2.50 0.00 0.00 175.30 171.38 1n88 s LYS 77 N -2.43 3.54 0.12 5.12 -2.85 -1.25 -0.00 119.74 121.97 1n88 s LYS 77 Ca -0.04 -0.05 0.06 0.00 -1.00 0.00 0.00 55.97 54.94 1n88 s LYS 77 Cb -0.04 -3.17 -0.04 0.00 -2.06 0.00 0.00 37.83 32.52 1n88 s LYS 77 CO -0.03 0.74 0.00 -1.59 0.10 0.00 0.00 175.35 174.57 1n88 s LYS 78 N -1.22 2.51 -0.17 1.78 -2.85 -0.29 -1.82 119.74 117.67 1n88 s LYS 78 Ca 0.19 -0.92 -0.00 0.00 -1.00 0.00 0.00 55.97 54.25 1n88 s LYS 78 Cb -0.13 -2.49 0.00 0.00 -2.06 0.00 0.00 37.83 33.16 1n88 s LYS 78 CO 0.08 0.51 -0.15 0.00 0.10 0.00 0.00 175.35 175.90 1n88 s ALA 79 N -1.43 2.49 -0.35 0.59 0.00 0.26 -0.48 121.76 122.83 1n88 s ALA 79 Ca 0.26 -1.13 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 1n88 s ALA 79 Cb -0.11 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.73 1n88 s ALA 79 CO 0.18 -0.21 0.21 0.42 0.00 0.00 0.00 175.76 176.36 1n88 s ILE 80 N 1.09 4.77 -0.14 0.00 1.09 0.75 0.25 121.20 129.01 1n88 s ILE 80 Ca -0.00 -0.59 -0.01 0.00 -1.10 0.00 0.00 60.65 58.95 1n88 s ILE 80 Cb -0.14 -3.56 -0.01 0.00 -1.06 0.00 0.00 42.46 37.69 1n88 s ILE 80 CO -0.05 -0.11 -0.11 -0.69 -0.10 0.00 0.00 174.94 173.88 1n88 s VAL 81 N 1.61 3.18 0.14 2.92 1.01 0.13 0.28 120.40 129.67 1n88 s VAL 81 Ca 0.04 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1n88 s VAL 81 Cb -0.18 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1n88 s VAL 81 CO 0.07 0.51 0.30 -1.58 0.00 0.00 0.00 175.10 174.41 1n88 s GLN 82 N 0.49 3.47 0.22 2.72 2.00 0.38 0.87 119.66 129.83 1n88 s GLN 82 Ca -0.08 -0.46 0.10 0.00 -2.00 0.00 0.00 55.36 52.93 1n88 s GLN 82 Cb -0.15 -2.94 -0.04 0.00 0.80 0.00 0.00 33.01 30.67 1n88 s GLN 82 CO 0.04 0.50 -0.13 0.14 -0.50 0.00 0.00 175.29 175.34 1n88 s VAL 83 N -1.72 2.89 1.24 1.34 -7.23 -1.09 0.21 120.40 116.04 1n88 s VAL 83 Ca 0.36 -1.96 -0.20 0.00 -1.81 0.00 0.00 61.98 58.37 1n88 s VAL 83 Cb -0.12 -2.46 0.30 0.00 0.56 0.00 0.00 36.38 34.66 1n88 s VAL 83 CO 0.28 -0.23 1.10 0.00 -0.31 0.00 0.00 175.10 175.95 1n88 s ALA 84 N -2.00 0.50 0.25 1.32 0.00 -0.90 -4.65 121.76 116.27 1n88 s ALA 84 Ca 0.26 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 1n88 s ALA 84 Cb -0.07 -2.86 -0.09 0.00 0.00 0.00 0.00 23.12 20.10 1n88 s ALA 84 CO 0.15 -3.73 1.14 -1.25 0.00 0.00 0.00 175.76 172.06 1n88 s PRO 85 N -5.44 4.58 0.00 0.00 0.04 -1.26 -3.48 135.00 129.44 1n88 s PRO 85 Ca 0.71 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1n88 s PRO 85 Cb -0.09 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1n88 s PRO 85 CO 0.56 0.10 0.00 0.41 0.04 0.00 0.00 177.00 178.11 1n88 n GLY 86 N 1.48 1.66 3.86 0.56 0.00 -1.26 -5.06 105.19 106.43 1n88 n GLY 86 Ca 0.01 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 2.26 0.00 1.61 0.00 -1.23 -5.12 119.66 117.18 1n88 s GLN 87 Ca 0.00 -2.02 0.00 0.00 -0.00 0.00 0.00 55.36 53.34 1n88 s GLN 87 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 33.01 30.99 1n88 s GLN 87 CO 0.00 -0.49 0.00 0.36 0.00 0.00 0.00 175.29 175.16 1n88 n LYS 88 N -1.61 0.00 -1.51 9.60 2.85 -1.26 -4.88 118.16 121.34 1n88 n LYS 88 Ca -0.04 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.91 1n88 n LYS 88 Cb 0.65 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.87 1n88 n LYS 88 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1n88 n ILE 89 N 0.00 -0.01 0.36 0.58 5.41 -1.26 -4.68 119.36 119.76 1n88 n ILE 89 Ca 0.00 -0.34 0.11 0.00 1.00 0.00 0.00 62.75 63.52 1n88 n ILE 89 Cb 0.00 -0.83 0.46 0.00 -0.71 0.00 0.00 39.64 38.56 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 7.62 0.15 0.06 0.38 0.28 -1.26 -2.85 120.64 125.02 1n88 n GLU 90 Ca 0.60 0.43 0.19 0.00 -0.16 0.00 0.00 57.16 58.23 1n88 n GLU 90 Cb 0.18 -1.82 0.72 0.00 1.43 0.00 0.00 31.44 31.95 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 2.25 2.32 0.00 -1.84 0.00 -1.96 -1.84 119.26 118.18 1n88 h ALA 91 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1n88 h ALA 91 Cb 0.28 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1n88 h ALA 91 CO 0.00 -0.57 -1.77 1.28 0.00 0.00 0.00 179.25 178.19 1n88 n LEU 92 N -4.19 0.00 -0.21 0.00 4.77 -1.13 -4.08 117.00 112.15 1n88 n LEU 92 Ca 0.08 0.00 0.26 0.00 -0.03 0.00 0.00 56.01 56.31 1n88 n LEU 92 Cb 0.54 0.10 0.65 0.00 -2.33 0.00 0.00 43.42 42.39 1n88 n LEU 92 CO 0.34 0.10 1.25 -0.33 -1.33 0.00 0.00 177.39 177.42 1n88 h GLU 93 N 0.00 0.14 0.00 3.23 4.39 -1.34 -0.52 114.58 120.48 1n88 h GLU 93 Ca -0.12 -0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.34 1n88 h GLU 93 Cb 1.04 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.62 1n88 h GLU 93 CO 0.01 0.09 -2.10 0.41 -1.16 0.00 0.00 179.01 176.26 1n88 n GLY 94 N -1.64 -1.03 0.52 -3.84 0.00 -1.20 -4.24 105.19 93.76 1n88 n GLY 94 Ca 0.19 -0.34 0.30 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.23 -3.53 115.31 115.61 1n88 h LEU 95 Ca -0.33 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.63 1n88 h LEU 95 Cb 1.80 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.54 1n88 h LEU 95 CO 0.03 0.00 0.00 -0.38 -1.08 0.00 0.00 178.44 177.01