#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 0.19 0.00 3.17 4.76 -1.26 -4.11 118.16 120.91 1n88 n LYS 2 Ca 0.00 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1n88 n LYS 2 Cb 0.00 -1.83 0.00 0.00 -1.84 0.00 0.00 35.03 31.36 1n88 n LYS 2 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1n88 n THR 3 N 7.42 0.00 -1.41 -0.18 -1.04 -1.26 0.55 114.28 118.36 1n88 n THR 3 Ca 0.61 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.48 1n88 n THR 3 Cb 0.14 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.55 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 0.27 -2.90 2.41 0.00 -1.25 -3.93 120.51 115.11 1n88 n ALA 4 Ca 0.00 -2.07 -0.08 0.00 0.00 0.00 0.00 53.44 51.29 1n88 n ALA 4 Cb 0.00 -2.94 -0.03 0.00 0.00 0.00 0.00 19.45 16.49 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 16.87 -0.32 -2.99 0.00 4.11 -1.11 0.19 117.16 133.91 1n88 n TYR 5 Ca 0.35 0.16 -0.12 0.00 -0.00 0.00 0.00 57.90 58.29 1n88 n TYR 5 Cb 0.47 -0.69 0.06 0.00 -0.00 0.00 0.00 39.34 39.18 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 -0.47 -3.35 0.00 9.48 2.03 0.19 -4.79 116.55 119.64 1n88 n ASP 6 Ca -0.07 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.74 1n88 n ASP 6 Cb 0.17 -4.05 0.00 0.00 -0.72 0.00 0.00 41.12 36.53 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 -3.17 0.00 -1.61 5.18 0.31 0.52 -4.59 118.33 114.98 1n88 n VAL 7 Ca -0.16 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.82 1n88 n VAL 7 Cb 0.62 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.62 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 3.15 2.16 0.00 2.52 1.01 -1.26 -4.03 121.20 124.75 1n88 s ILE 8 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1n88 s ILE 8 Cb 0.00 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.60 1n88 s ILE 8 CO 0.00 -0.03 0.00 0.18 0.00 0.00 0.00 174.94 175.09 1n88 n LEU 9 N -2.27 0.00 -4.72 2.97 4.77 -0.62 -3.77 117.00 113.36 1n88 n LEU 9 Ca 0.15 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.87 1n88 n LEU 9 Cb 0.49 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 1n88 n LEU 9 CO 0.47 0.00 -0.28 0.00 -1.33 0.00 0.00 177.39 176.25 1n88 s ALA 10 N -2.00 3.35 0.62 -1.18 0.00 -1.26 -4.85 121.76 116.44 1n88 s ALA 10 Ca 0.00 -1.33 -0.15 0.00 0.00 0.00 0.00 51.96 50.48 1n88 s ALA 10 Cb 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 1n88 s ALA 10 CO 0.00 0.46 1.06 -1.25 0.00 0.00 0.00 175.76 176.03 1n88 s PRO 11 N -3.10 3.21 -0.09 0.00 0.04 -1.26 -2.46 135.00 131.33 1n88 s PRO 11 Ca 0.29 1.18 -0.07 0.00 0.04 0.00 0.00 61.00 62.45 1n88 s PRO 11 Cb -0.09 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1n88 s PRO 11 CO 0.21 -0.90 0.17 0.14 0.04 0.00 0.00 177.00 176.65 1n88 s VAL 12 N -2.53 5.47 -0.38 -0.36 -7.23 -1.12 -4.93 120.40 109.31 1n88 s VAL 12 Ca 0.63 0.17 -0.12 0.00 -1.81 0.00 0.00 61.98 60.85 1n88 s VAL 12 Cb -0.16 -3.45 0.02 0.00 0.56 0.00 0.00 36.38 33.36 1n88 s VAL 12 CO 0.40 0.56 0.24 -0.76 -0.31 0.00 0.00 175.10 175.22 1n88 s LEU 13 N -1.22 4.82 -0.23 1.32 2.01 -1.26 -4.77 118.68 119.35 1n88 s LEU 13 Ca 0.18 -0.93 -0.26 0.00 0.01 0.00 0.00 54.13 53.13 1n88 s LEU 13 Cb -0.12 -2.07 0.09 0.00 0.01 0.00 0.00 46.19 44.09 1n88 s LEU 13 CO 0.07 -0.40 0.81 -0.44 1.01 0.00 0.00 176.35 177.41 1n88 s SER 14 N 1.60 -0.63 0.28 2.29 0.01 -1.26 -5.01 113.70 110.99 1n88 s SER 14 Ca 0.03 1.12 -0.02 0.00 1.31 0.00 0.00 55.95 58.39 1n88 s SER 14 Cb -0.19 1.09 0.61 0.00 0.21 0.00 0.00 66.02 67.75 1n88 s SER 14 CO 0.08 -0.29 1.60 -0.33 0.41 0.00 0.00 173.24 174.71 1n88 h GLU 15 N 4.31 0.05 -0.37 12.44 4.39 -1.98 0.44 114.58 133.86 1n88 h GLU 15 Ca -0.28 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.48 1n88 h GLU 15 Cb 1.16 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.75 1n88 h GLU 15 CO 0.14 0.03 0.04 0.87 -1.16 0.00 0.00 179.01 178.93 1n88 h LYS 16 N 0.05 0.15 0.54 2.33 1.57 -1.96 0.55 116.57 119.80 1n88 h LYS 16 Ca 0.52 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.27 1n88 h LYS 16 Cb 1.00 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.28 1n88 h LYS 16 CO -0.83 0.10 -0.26 0.00 -0.57 0.00 0.00 179.45 177.88 1n88 h ALA 17 N 1.30 -0.90 -1.35 3.86 0.00 -0.57 0.39 119.26 122.00 1n88 h ALA 17 Ca 0.18 -0.16 0.39 0.00 0.00 0.00 0.00 54.91 55.32 1n88 h ALA 17 Cb 0.23 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1n88 h ALA 17 CO -0.27 -0.85 0.95 1.88 0.00 0.00 0.00 179.25 180.97 1n88 h TYR 18 N -0.95 0.14 -0.00 0.00 0.05 -0.89 2.70 116.97 118.02 1n88 h TYR 18 Ca -0.07 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1n88 h TYR 18 Cb 0.56 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1n88 h TYR 18 CO 0.04 -0.01 -0.45 0.00 -1.05 0.00 0.00 178.16 176.68 1n88 n ALA 19 N -2.74 3.46 -0.06 3.88 0.00 0.18 -3.04 120.51 122.19 1n88 n ALA 19 Ca 0.31 -0.37 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 1n88 n ALA 19 Cb 1.38 -1.11 -0.07 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.28 0.26 0.00 0.00 0.70 -4.43 105.19 102.89 1n88 n GLY 20 Ca 0.07 -0.11 0.16 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.07 1.61 -0.00 0.36 -3.01 116.94 115.83 1n88 h PHE 21 Ca -0.30 0.00 0.02 0.00 -0.00 0.00 0.00 57.97 57.69 1n88 h PHE 21 Cb 1.52 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.47 1n88 h PHE 21 CO 0.01 0.00 0.27 0.00 -0.00 0.00 0.00 178.31 178.59 1n88 h ALA 22 N 2.00 1.41 -0.39 12.09 0.00 -1.67 0.37 119.26 133.08 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 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 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 -3.12 2.95 -0.30 0.00 0.00 -1.14 -4.82 120.64 114.20 1n88 n GLU 23 Ca -0.01 -1.85 0.00 0.00 0.00 0.00 0.00 57.16 55.30 1n88 n GLU 23 Cb 0.34 -1.76 0.00 0.00 0.00 0.00 0.00 31.44 30.02 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 0.69 0.71 3.78 8.31 0.00 0.13 -4.80 105.19 114.01 1n88 n GLY 24 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.70 4.56 -0.28 1.61 1.02 -0.97 -2.55 119.74 122.43 1n88 s LYS 25 Ca 0.00 1.20 0.01 0.00 0.02 0.00 0.00 55.97 57.20 1n88 s LYS 25 Cb 0.00 -3.06 0.08 0.00 -0.52 0.00 0.00 37.83 34.34 1n88 s LYS 25 CO 0.00 0.44 0.04 0.71 -0.92 0.00 0.00 175.35 175.62 1n88 s TYR 26 N -1.36 2.31 -0.04 3.18 2.02 0.35 -3.95 117.35 119.87 1n88 s TYR 26 Ca 0.42 -1.95 -0.30 0.00 -0.37 0.00 0.00 57.07 54.88 1n88 s TYR 26 Cb -0.21 -1.88 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 1n88 s TYR 26 CO 0.25 -0.84 1.13 0.99 -1.57 0.00 0.00 175.55 175.52 1n88 s THR 27 N 1.41 4.41 0.28 -0.71 2.01 -1.16 -0.62 115.64 121.26 1n88 s THR 27 Ca 0.04 1.72 0.06 0.00 0.31 0.00 0.00 61.69 63.83 1n88 s THR 27 Cb -0.18 -4.10 -0.06 0.00 0.01 0.00 0.00 72.50 68.17 1n88 s THR 27 CO -0.14 0.04 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.41 1n88 s PHE 28 N 1.80 1.93 -0.25 4.92 0.08 0.51 -2.81 117.98 124.16 1n88 s PHE 28 Ca 0.54 -0.70 -0.13 0.00 0.12 0.00 0.00 56.93 56.76 1n88 s PHE 28 Cb -0.24 -1.09 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 1n88 s PHE 28 CO 0.23 0.27 0.27 -1.58 -0.10 0.00 0.00 175.22 174.31 1n88 s TRP 29 N -3.03 3.28 0.18 0.36 0.23 -1.03 -0.08 118.94 118.84 1n88 s TRP 29 Ca 0.29 0.32 -0.07 0.00 -2.03 0.00 0.00 56.10 54.61 1n88 s TRP 29 Cb 0.04 -2.44 -0.02 0.00 0.03 0.00 0.00 33.47 31.08 1n88 s TRP 29 CO 0.12 -0.10 0.26 0.54 0.96 0.00 0.00 176.95 178.73 1n88 s VAL 30 N 1.60 0.05 0.59 4.03 0.11 0.33 -1.60 120.40 125.51 1n88 s VAL 30 Ca 0.12 -1.55 -0.18 0.00 -2.93 0.00 0.00 61.98 57.43 1n88 s VAL 30 Cb -0.15 -2.03 -0.04 0.00 -1.53 0.00 0.00 36.38 32.64 1n88 s VAL 30 CO 0.09 -0.23 1.12 -2.28 -3.33 0.00 0.00 175.10 170.47 1n88 s HIS 31 N -4.02 2.64 -1.03 1.54 2.46 -1.26 0.22 115.29 115.85 1n88 s HIS 31 Ca 0.22 1.55 -0.18 0.00 0.47 0.00 0.00 55.06 57.12 1n88 s HIS 31 Cb 0.04 -3.25 -0.08 0.00 -0.13 0.00 0.00 32.58 29.15 1n88 s HIS 31 CO 0.03 -1.64 2.07 -0.35 -2.47 0.00 0.00 174.74 172.38 1n88 n PRO 32 N -1.72 2.05 0.00 2.88 -0.04 -1.26 -2.95 135.00 133.95 1n88 n PRO 32 Ca 0.11 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 1n88 n PRO 32 Cb 0.51 -3.01 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 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 6.44 0.00 -1.48 0.54 -0.00 -1.26 -5.07 118.16 117.32 1n88 n LYS 33 Ca 0.51 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 58.39 1n88 n LYS 33 Cb 0.38 0.00 -0.14 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 0.33 -1.65 0.58 0.00 -1.15 -4.78 120.51 113.84 1n88 n ALA 34 Ca 0.00 -0.28 -0.45 0.00 0.00 0.00 0.00 53.44 52.71 1n88 n ALA 34 Cb 0.00 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.10 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 7.44 1.19 -0.32 0.00 -2.24 -1.26 -4.61 114.28 114.48 1n88 n THR 35 Ca 0.62 -0.30 0.12 0.00 -2.27 0.00 0.00 64.05 62.22 1n88 n THR 35 Cb 0.07 -1.33 0.25 0.00 -2.10 0.00 0.00 70.33 67.22 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 3.61 0.05 0.32 -0.78 1.57 -1.90 0.16 116.57 119.60 1n88 h LYS 36 Ca -0.44 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.32 1n88 h LYS 36 Cb 1.30 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1n88 h LYS 36 CO 0.71 0.03 -0.16 1.15 -0.57 0.00 0.00 179.45 180.62 1n88 h THR 37 N 0.05 0.69 -0.83 -0.16 2.02 -1.93 -2.23 112.91 110.52 1n88 h THR 37 Ca 0.55 -0.04 0.09 0.00 0.77 0.00 0.00 66.41 67.77 1n88 h THR 37 Cb 1.08 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 68.12 1n88 h THR 37 CO -0.85 0.01 0.48 -0.33 0.37 0.00 0.00 175.52 175.21 1n88 h GLU 38 N -0.45 0.81 -0.30 6.66 5.08 -1.15 0.11 114.58 125.33 1n88 h GLU 38 Ca -0.04 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1n88 h GLU 38 Cb 0.35 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1n88 h GLU 38 CO 0.07 0.53 0.21 0.82 -1.00 0.00 0.00 179.01 179.65 1n88 h ILE 39 N 0.83 0.91 -0.43 3.13 2.04 -0.52 -1.83 117.51 121.64 1n88 h ILE 39 Ca 0.39 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 66.21 1n88 h ILE 39 Cb 0.31 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1n88 h ILE 39 CO -0.23 0.02 0.27 0.50 0.00 0.00 0.00 178.15 178.71 1n88 h LYS 40 N 0.12 0.58 -0.27 2.37 3.64 -0.17 -2.82 116.57 120.03 1n88 h LYS 40 Ca 0.14 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1n88 h LYS 40 Cb 0.40 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1n88 h LYS 40 CO -0.02 0.42 0.07 -0.91 -2.27 0.00 0.00 179.45 176.75 1n88 h ASN 41 N 0.57 0.40 -0.95 4.20 2.35 -1.28 -0.69 115.58 120.18 1n88 h ASN 41 Ca 0.16 -0.22 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1n88 h ASN 41 Cb -0.01 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.20 1n88 h ASN 41 CO -0.03 0.51 0.62 0.00 -1.65 0.00 0.00 177.43 176.88 1n88 h ALA 42 N 0.90 1.26 0.01 -0.83 0.00 -1.44 -1.47 119.26 117.69 1n88 h ALA 42 Ca 0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1n88 h ALA 42 Cb 0.26 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1n88 h ALA 42 CO -0.00 0.50 -0.60 -0.24 0.00 0.00 0.00 179.25 178.92 1n88 h VAL 43 N 1.21 1.45 -0.87 0.00 3.04 -1.42 -0.98 116.25 118.67 1n88 h VAL 43 Ca 0.38 -2.12 0.09 0.00 -1.01 0.00 0.00 66.70 64.04 1n88 h VAL 43 Cb -0.01 2.68 -0.06 0.00 -2.01 0.00 0.00 31.29 31.89 1n88 h VAL 43 CO -0.12 0.61 0.56 -0.08 -1.01 0.00 0.00 177.57 177.54 1n88 h GLU 44 N -0.16 0.84 0.11 4.17 4.22 -0.93 0.57 114.58 123.39 1n88 h GLU 44 Ca -0.08 -0.05 -0.16 0.00 0.08 0.00 0.00 59.36 59.15 1n88 h GLU 44 Cb 1.33 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 30.40 1n88 h GLU 44 CO 0.12 0.56 -0.68 1.79 -2.18 0.00 0.00 179.01 178.61 1n88 h THR 45 N 0.87 1.54 0.44 0.32 1.35 -1.31 -0.64 112.91 115.48 1n88 h THR 45 Ca 0.40 -2.45 -0.02 0.00 -0.55 0.00 0.00 66.41 63.78 1n88 h THR 45 Cb 0.39 3.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.97 1n88 h THR 45 CO -0.17 0.69 -0.21 0.00 -0.25 0.00 0.00 175.52 175.58 1n88 h ALA 46 N 0.10 -0.75 0.00 6.62 0.00 -0.71 -3.24 119.26 121.28 1n88 h ALA 46 Ca -0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1n88 h ALA 46 Cb 1.52 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 1n88 h ALA 46 CO 0.13 -0.71 -0.08 0.74 0.00 0.00 0.00 179.25 179.33 1n88 h PHE 47 N -0.89 0.00 -5.40 0.00 0.04 -0.07 -3.47 116.94 107.16 1n88 h PHE 47 Ca -0.06 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.35 1n88 h PHE 47 Cb 0.45 0.00 0.13 0.00 2.20 0.00 0.00 35.95 38.73 1n88 h PHE 47 CO 0.04 0.08 -0.63 1.63 -0.60 0.00 0.00 178.31 178.83 1n88 n LYS 48 N -3.19 -7.16 -0.77 1.51 4.76 -0.25 -5.00 118.16 108.05 1n88 n LYS 48 Ca 0.01 0.76 0.00 0.00 -2.87 0.00 0.00 58.31 56.20 1n88 n LYS 48 Cb 0.38 -5.58 0.00 0.00 -1.84 0.00 0.00 35.03 27.99 1n88 n LYS 48 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1n88 n VAL 49 N -4.70 0.00 -3.88 -0.18 3.14 -1.21 -5.02 118.33 106.47 1n88 n VAL 49 Ca -0.02 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.02 1n88 n VAL 49 Cb 0.56 -0.09 -0.13 0.00 -1.06 0.00 0.00 33.84 33.12 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 -0.10 1.88 -0.23 1.45 2.36 -1.26 -4.73 119.74 119.12 1n88 s LYS 50 Ca 0.00 -1.76 -0.29 0.00 -2.55 0.00 0.00 55.97 51.37 1n88 s LYS 50 Cb 0.00 -3.39 0.00 0.00 -1.05 0.00 0.00 37.83 33.39 1n88 s LYS 50 CO 0.00 -0.96 1.13 0.08 1.55 0.00 0.00 175.35 177.15 1n88 s VAL 51 N 1.07 4.50 -2.24 4.02 1.01 -1.26 -2.83 120.40 124.68 1n88 s VAL 51 Ca 0.07 1.80 0.21 0.00 0.00 0.00 0.00 61.98 64.06 1n88 s VAL 51 Cb -0.21 -4.22 0.08 0.00 0.00 0.00 0.00 36.38 32.03 1n88 s VAL 51 CO -0.05 -0.22 1.08 0.55 0.00 0.00 0.00 175.10 176.46 1n88 n VAL 52 N 5.46 0.00 0.00 2.92 3.14 0.83 -4.85 118.33 125.83 1n88 n VAL 52 Ca 0.13 -0.40 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 1n88 n VAL 52 Cb 0.46 1.34 0.00 0.00 -1.06 0.00 0.00 33.84 34.58 1n88 n VAL 52 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1n88 n LYS 53 N 0.57 0.00 -3.80 1.45 -0.00 -0.79 -4.90 118.16 110.70 1n88 n LYS 53 Ca 0.10 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.17 1n88 n LYS 53 Cb 0.47 0.00 -0.17 0.00 -0.00 0.00 0.00 35.03 35.33 1n88 n LYS 53 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1n88 s VAL 54 N -1.34 0.55 -0.22 0.58 1.01 -1.25 0.25 120.40 119.98 1n88 s VAL 54 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1n88 s VAL 54 Cb 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.68 1n88 s VAL 54 CO 0.00 0.21 -0.14 0.21 0.00 0.00 0.00 175.10 175.38 1n88 s ASN 55 N 1.89 3.80 0.35 3.32 3.84 0.74 -4.85 114.94 124.03 1n88 s ASN 55 Ca 0.04 -0.92 0.09 0.00 0.21 0.00 0.00 52.86 52.28 1n88 s ASN 55 Cb -0.13 -1.54 -0.05 0.00 -0.55 0.00 0.00 41.25 38.97 1n88 s ASN 55 CO -0.06 -0.08 0.03 0.42 -2.79 0.00 0.00 177.10 174.61 1n88 s THR 56 N 1.24 2.58 -0.02 -5.21 -4.23 -1.25 0.27 115.64 109.01 1n88 s THR 56 Ca -0.00 -1.95 -0.21 0.00 -1.18 0.00 0.00 61.69 58.35 1n88 s THR 56 Cb -0.16 -2.83 0.04 0.00 1.34 0.00 0.00 72.50 70.90 1n88 s THR 56 CO -0.09 -0.17 0.46 -1.48 -0.54 0.00 0.00 174.62 172.79 1n88 s LEU 57 N -3.73 0.26 0.05 4.79 2.34 0.27 -4.91 118.68 117.74 1n88 s LEU 57 Ca 0.35 0.32 -0.31 0.00 0.06 0.00 0.00 54.13 54.56 1n88 s LEU 57 Cb 0.01 1.77 -0.07 0.00 -0.56 0.00 0.00 46.19 47.34 1n88 s LEU 57 CO 0.20 -0.52 1.54 -2.28 -1.06 0.00 0.00 176.35 174.22 1n88 s HIS 58 N -1.33 2.68 -0.04 3.48 5.65 -1.26 0.11 115.29 124.57 1n88 s HIS 58 Ca -0.12 0.56 0.07 0.00 0.25 0.00 0.00 55.06 55.82 1n88 s HIS 58 Cb -0.03 -3.83 -0.02 0.00 -1.18 0.00 0.00 32.58 27.52 1n88 s HIS 58 CO 0.06 -3.22 -0.25 0.14 -0.65 0.00 0.00 174.74 170.82 1n88 s VAL 59 N 2.35 2.12 0.00 0.89 -7.23 0.72 -4.82 120.40 114.42 1n88 s VAL 59 Ca 0.69 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 1n88 s VAL 59 Cb -0.37 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 34.82 1n88 s VAL 59 CO 0.30 0.58 0.00 -2.11 -0.31 0.00 0.00 175.10 173.55 1n88 n ARG 60 N 2.70 0.00 -3.82 4.82 0.00 -1.26 -3.40 116.66 115.70 1n88 n ARG 60 Ca -0.17 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.45 1n88 n ARG 60 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 32.46 32.98 1n88 n ARG 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n88 n GLY 61 N 0.00 -0.29 0.00 2.89 0.00 -1.26 -4.86 105.19 101.66 1n88 n GLY 61 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1n88 n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1n88 n LYS 62 N -4.32 1.39 -1.85 1.61 3.00 -1.26 -5.03 118.16 111.70 1n88 n LYS 62 Ca -0.30 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.60 1n88 n LYS 62 Cb 0.68 -0.93 -0.01 0.00 0.00 0.00 0.00 35.03 34.77 1n88 n LYS 62 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1n88 s LYS 63 N -1.86 4.15 -0.97 1.64 3.01 -1.26 -4.71 119.74 119.73 1n88 s LYS 63 Ca 0.00 2.52 -0.23 0.00 -1.01 0.00 0.00 55.97 57.24 1n88 s LYS 63 Cb 0.00 -3.00 -0.25 0.00 -1.01 0.00 0.00 37.83 33.57 1n88 s LYS 63 CO 0.00 -0.50 2.50 1.63 0.51 0.00 0.00 175.35 179.49 1n88 n LYS 64 N 0.85 0.06 -0.02 1.68 5.02 -1.26 -4.68 118.16 119.81 1n88 n LYS 64 Ca 0.02 -0.02 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1n88 n LYS 64 Cb 0.39 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.93 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 7.54 0.14 -0.58 1.97 1.74 -1.26 -4.78 116.66 121.42 1n88 n ARG 65 Ca 0.65 0.05 0.08 0.00 -0.77 0.00 0.00 57.85 57.86 1n88 n ARG 65 Cb 0.10 -0.63 -0.02 0.00 -1.02 0.00 0.00 32.46 30.88 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 -3.14 0.00 -1.71 0.55 4.32 -1.26 -2.04 117.00 113.71 1n88 n LEU 66 Ca -0.04 0.62 -0.11 0.00 -0.02 0.00 0.00 56.01 56.47 1n88 n LEU 66 Cb 0.13 -1.95 0.03 0.00 -1.62 0.00 0.00 43.42 40.01 1n88 n LEU 66 CO 0.05 -1.27 1.09 0.61 -1.22 0.00 0.00 177.39 176.65 1n88 n GLY 67 N -1.90 3.46 0.45 -0.72 0.00 -1.26 -3.44 105.19 101.78 1n88 n GLY 67 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.61 0.00 -0.39 1.61 1.74 -1.20 -5.10 116.66 113.94 1n88 n ARG 68 Ca 0.20 -0.59 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 1n88 n ARG 68 Cb 0.60 -0.31 0.00 0.00 -1.02 0.00 0.00 32.46 31.73 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 0.00 0.00 -3.15 -1.55 9.36 -0.87 -5.07 117.16 115.88 1n88 n TYR 69 Ca 0.00 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.27 1n88 n TYR 69 Cb 0.61 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.32 1n88 n TYR 69 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1n88 s LEU 70 N 0.00 -1.12 -0.42 2.98 1.02 -1.26 -4.96 118.68 114.92 1n88 s LEU 70 Ca 0.00 0.29 0.07 0.00 0.02 0.00 0.00 54.13 54.50 1n88 s LEU 70 Cb 0.00 1.77 0.23 0.00 0.02 0.00 0.00 46.19 48.21 1n88 s LEU 70 CO 0.00 -0.21 0.55 0.61 0.02 0.00 0.00 176.35 177.32 1n88 n GLY 71 N 5.35 2.07 3.12 -3.19 0.00 -1.26 -5.10 105.19 106.18 1n88 n GLY 71 Ca 0.04 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 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 1.85 -0.13 -1.46 1.61 5.02 -1.26 -4.38 118.16 119.41 1n88 n LYS 72 Ca 0.21 -0.03 -0.44 0.00 -2.02 0.00 0.00 58.31 56.03 1n88 n LYS 72 Cb 0.54 -1.25 -0.13 0.00 -0.02 0.00 0.00 35.03 34.16 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 1.22 0.15 0.00 1.97 1.74 -1.26 -4.87 116.66 115.61 1n88 n ARG 73 Ca 0.00 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1n88 n ARG 73 Cb 0.57 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1n88 n ARG 73 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1n88 n PRO 74 N 8.38 0.03 -3.78 5.56 -0.04 -1.26 -5.00 135.00 138.89 1n88 n PRO 74 Ca 0.60 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.72 1n88 n PRO 74 Cb 0.08 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.43 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 -1.35 5.00 -0.06 3.54 1.11 -1.26 -4.93 116.67 118.72 1n88 s ASP 75 Ca 0.00 -3.00 -0.01 0.00 0.18 0.00 0.00 52.55 49.72 1n88 s ASP 75 Cb 0.00 -1.79 0.03 0.00 1.07 0.00 0.00 42.92 42.23 1n88 s ASP 75 CO 0.00 -0.31 0.00 -0.60 1.18 0.00 0.00 175.17 175.45 1n88 s ARG 76 N -0.28 0.51 0.01 8.23 3.52 -1.22 -4.65 118.95 125.08 1n88 s ARG 76 Ca 0.18 0.11 0.08 0.00 -0.13 0.00 0.00 55.73 55.97 1n88 s ARG 76 Cb -0.21 -0.83 -0.02 0.00 -1.56 0.00 0.00 34.95 32.33 1n88 s ARG 76 CO -0.03 -0.25 -0.26 0.21 -0.81 0.00 0.00 175.30 174.16 1n88 s LYS 77 N 1.72 1.99 0.01 5.12 2.20 0.13 0.26 119.74 131.17 1n88 s LYS 77 Ca 0.01 -1.00 -0.01 0.00 -0.36 0.00 0.00 55.97 54.60 1n88 s LYS 77 Cb -0.13 -2.02 -0.04 0.00 -1.51 0.00 0.00 37.83 34.13 1n88 s LYS 77 CO -0.04 0.54 0.16 0.21 -0.36 0.00 0.00 175.35 175.86 1n88 s LYS 78 N -0.89 3.33 -0.10 4.03 2.47 0.29 0.12 119.74 128.99 1n88 s LYS 78 Ca 0.11 -0.39 0.01 0.00 -1.56 0.00 0.00 55.97 54.13 1n88 s LYS 78 Cb -0.10 -3.02 0.02 0.00 -1.46 0.00 0.00 37.83 33.27 1n88 s LYS 78 CO 0.00 0.65 -0.11 0.00 0.16 0.00 0.00 175.35 176.06 1n88 s ALA 79 N -1.33 1.41 -0.33 3.13 0.00 0.88 0.94 121.76 126.46 1n88 s ALA 79 Ca 0.28 -0.57 -0.09 0.00 0.00 0.00 0.00 51.96 51.58 1n88 s ALA 79 Cb -0.13 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.19 1n88 s ALA 79 CO 0.19 -0.22 0.14 0.42 0.00 0.00 0.00 175.76 176.30 1n88 s ILE 80 N 1.30 4.31 -0.15 0.00 1.09 0.76 0.19 121.20 128.69 1n88 s ILE 80 Ca -0.02 -0.73 -0.06 0.00 -1.10 0.00 0.00 60.65 58.74 1n88 s ILE 80 Cb -0.14 -3.30 -0.04 0.00 -1.06 0.00 0.00 42.46 37.92 1n88 s ILE 80 CO -0.04 -0.05 0.05 -0.69 -0.10 0.00 0.00 174.94 174.10 1n88 s VAL 81 N 1.54 4.72 -0.08 2.92 1.01 0.21 0.26 120.40 130.98 1n88 s VAL 81 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1n88 s VAL 81 Cb -0.18 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1n88 s VAL 81 CO 0.05 0.51 -0.01 -1.58 0.00 0.00 0.00 175.10 174.07 1n88 s GLN 82 N -0.07 2.92 0.18 2.72 2.00 0.71 0.13 119.66 128.25 1n88 s GLN 82 Ca 0.06 -0.45 0.07 0.00 -2.00 0.00 0.00 55.36 53.04 1n88 s GLN 82 Cb -0.12 -2.74 -0.04 0.00 0.80 0.00 0.00 33.01 30.91 1n88 s GLN 82 CO 0.01 0.69 0.05 0.14 -0.50 0.00 0.00 175.29 175.68 1n88 s VAL 83 N -0.88 3.97 1.14 1.34 -7.23 -1.06 0.29 120.40 117.97 1n88 s VAL 83 Ca 0.14 -1.36 -0.17 0.00 -1.81 0.00 0.00 61.98 58.78 1n88 s VAL 83 Cb -0.11 -3.03 0.22 0.00 0.56 0.00 0.00 36.38 34.02 1n88 s VAL 83 CO 0.03 -0.15 0.46 0.00 -0.31 0.00 0.00 175.10 175.13 1n88 n ALA 84 N -0.32 -2.18 -1.77 1.32 0.00 -1.13 -4.70 120.51 111.74 1n88 n ALA 84 Ca -0.09 -1.29 -0.38 0.00 0.00 0.00 0.00 53.44 51.68 1n88 n ALA 84 Cb 0.55 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.90 4.20 0.00 0.00 0.04 -1.26 -3.13 135.00 130.95 1n88 s PRO 85 Ca 0.47 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1n88 s PRO 85 Cb -0.09 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1n88 s PRO 85 CO 0.43 -0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.72 1n88 n GLY 86 N 0.61 2.99 3.92 0.56 0.00 -1.26 -5.02 105.19 106.99 1n88 n GLY 86 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1n88 n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n88 s GLN 87 N -0.23 2.13 0.00 1.61 -0.21 -1.18 -5.09 119.66 116.68 1n88 s GLN 87 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.28 1n88 s GLN 87 Cb 0.00 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 31.92 1n88 s GLN 87 CO 0.00 -1.36 0.00 0.36 -2.12 0.00 0.00 175.29 172.17 1n88 n LYS 88 N -3.07 0.00 -3.14 2.91 2.85 -1.26 -4.96 118.16 111.49 1n88 n LYS 88 Ca 0.08 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.93 1n88 n LYS 88 Cb 0.61 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.92 1n88 n LYS 88 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1n88 s ILE 89 N 0.00 4.94 -0.69 0.58 1.01 -1.26 -4.91 121.20 120.87 1n88 s ILE 89 Ca 0.00 0.67 0.26 0.00 0.00 0.00 0.00 60.65 61.57 1n88 s ILE 89 Cb 0.00 -4.02 0.28 0.00 0.01 0.00 0.00 42.46 38.73 1n88 s ILE 89 CO 0.00 -0.21 1.77 -1.84 0.00 0.00 0.00 174.94 174.66 1n88 n GLU 90 N 5.91 0.25 0.08 2.79 0.28 -1.26 -3.52 120.64 125.17 1n88 n GLU 90 Ca -0.02 0.25 0.18 0.00 -0.16 0.00 0.00 57.16 57.41 1n88 n GLU 90 Cb 0.49 -1.82 0.70 0.00 1.43 0.00 0.00 31.44 32.25 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 2.48 2.29 0.00 -1.84 0.00 -2.00 -2.35 119.26 117.85 1n88 h ALA 91 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1n88 h ALA 91 Cb 0.66 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1n88 h ALA 91 CO 0.00 -0.49 -1.79 1.28 0.00 0.00 0.00 179.25 178.25 1n88 n LEU 92 N -4.29 0.00 -0.26 0.00 4.77 -1.23 -3.93 117.00 112.06 1n88 n LEU 92 Ca 0.06 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.00 1n88 n LEU 92 Cb 0.48 0.12 0.12 0.00 -2.33 0.00 0.00 43.42 41.80 1n88 n LEU 92 CO 0.35 0.12 1.09 -0.33 -1.33 0.00 0.00 177.39 177.28 1n88 h GLU 93 N 0.00 1.12 0.00 3.23 4.39 -1.48 -2.45 114.58 119.40 1n88 h GLU 93 Ca -0.13 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1n88 h GLU 93 Cb 1.09 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1n88 h GLU 93 CO 0.01 0.88 -0.71 0.41 -1.16 0.00 0.00 179.01 178.44 1n88 n GLY 94 N -0.99 -1.32 0.25 -3.84 0.00 -1.05 -3.90 105.19 94.33 1n88 n GLY 94 Ca 0.07 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.55 -3.52 115.31 115.29 1n88 h LEU 95 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1n88 h LEU 95 Cb 0.69 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.43 1n88 h LEU 95 CO 0.00 0.00 0.00 -0.38 -1.08 0.00 0.00 178.44 176.98