#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a19 s LYS 2 N 0.00 3.25 0.07 1.64 1.02 -1.26 -0.13 119.74 124.33 1a19 s LYS 2 Ca 0.00 -0.61 0.07 0.00 0.02 0.00 0.00 55.97 55.46 1a19 s LYS 2 Cb 0.00 -2.68 -0.03 0.00 -0.52 0.00 0.00 37.83 34.60 1a19 s LYS 2 CO 0.00 0.36 -0.20 0.00 -0.92 0.00 0.00 175.35 174.59 1a19 s ALA 3 N 0.00 1.68 -0.05 5.17 0.00 -0.68 -4.97 121.76 122.91 1a19 s ALA 3 Ca -0.02 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 1a19 s ALA 3 Cb -0.14 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.75 1a19 s ALA 3 CO 0.03 0.35 0.02 0.08 0.00 0.00 0.00 175.76 176.24 1a19 s VAL 4 N -1.01 0.16 -0.14 0.00 1.01 -1.26 -1.44 120.40 117.72 1a19 s VAL 4 Ca 0.06 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1a19 s VAL 4 Cb -0.09 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 35.96 1a19 s VAL 4 CO 0.03 0.20 -0.21 -0.63 0.00 0.00 0.00 175.10 174.49 1a19 s ILE 5 N 1.78 2.16 -0.36 2.22 1.01 -0.35 -5.01 121.20 122.66 1a19 s ILE 5 Ca 0.01 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 1a19 s ILE 5 Cb -0.13 -1.87 0.07 0.00 0.01 0.00 0.00 42.46 40.55 1a19 s ILE 5 CO -0.04 0.55 0.11 0.20 0.00 0.00 0.00 174.94 175.76 1a19 s ASN 6 N 0.78 5.13 0.00 3.58 -0.87 -1.26 0.21 114.94 122.50 1a19 s ASN 6 Ca -0.08 -1.59 0.00 0.00 -1.57 0.00 0.00 52.86 49.63 1a19 s ASN 6 Cb -0.16 -1.79 0.00 0.00 -0.02 0.00 0.00 41.25 39.28 1a19 s ASN 6 CO -0.01 -0.40 0.69 0.61 -2.57 0.00 0.00 177.10 175.43 1a19 n GLY 7 N 4.64 -0.24 0.38 0.66 0.00 -0.38 -1.42 105.19 108.83 1a19 n GLY 7 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1a19 n GLY 7 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1a19 h GLU 8 N 0.00 1.24 0.00 1.61 4.81 -1.81 -3.22 114.58 117.21 1a19 h GLU 8 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1a19 h GLU 8 Cb 0.28 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1a19 h GLU 8 CO 0.00 0.82 -1.35 1.04 -0.73 0.00 0.00 179.01 178.79 1a19 n GLN 9 N -4.43 0.84 -1.79 1.92 1.13 -0.51 -4.77 117.38 109.77 1a19 n GLN 9 Ca 0.13 -0.09 -0.32 0.00 -1.94 0.00 0.00 57.00 54.78 1a19 n GLN 9 Cb 0.08 -1.39 -0.06 0.00 0.11 0.00 0.00 30.24 28.98 1a19 n GLN 9 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1a19 n ILE 10 N -1.79 1.83 0.37 5.09 -0.00 -1.22 -4.62 119.36 119.02 1a19 n ILE 10 Ca -0.00 -1.82 0.14 0.00 -0.00 0.00 0.00 62.75 61.06 1a19 n ILE 10 Cb 0.38 -2.20 0.43 0.00 -0.00 0.00 0.00 39.64 38.25 1a19 n ILE 10 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 1a19 h ARG 11 N 9.28 0.00 -3.88 0.38 -0.00 -1.85 -3.42 114.38 114.88 1a19 h ARG 11 Ca 0.27 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.66 1a19 h ARG 11 Cb 0.87 0.00 -0.14 0.00 0.00 0.00 0.00 29.97 30.69 1a19 h ARG 11 CO 1.43 0.00 -0.42 -1.54 0.00 0.00 0.00 179.97 179.44 1a19 s SER 12 N -5.26 0.18 0.10 7.04 1.04 -1.26 -4.68 113.70 110.86 1a19 s SER 12 Ca 0.06 -0.71 0.13 0.00 0.48 0.00 0.00 55.95 55.91 1a19 s SER 12 Cb 0.09 0.32 0.60 0.00 0.10 0.00 0.00 66.02 67.13 1a19 s SER 12 CO 0.56 -0.71 1.41 0.00 0.98 0.00 0.00 173.24 175.48 1a19 n ILE 13 N -0.04 1.25 0.02 -1.02 0.13 -1.26 -0.24 119.36 118.19 1a19 n ILE 13 Ca -0.15 0.39 0.00 0.00 -1.10 0.00 0.00 62.75 61.89 1a19 n ILE 13 Cb 0.62 -1.28 -0.09 0.00 -0.84 0.00 0.00 39.64 38.05 1a19 n ILE 13 CO 0.00 0.00 0.00 -0.24 2.80 0.00 0.00 176.55 179.11 1a19 n SER 14 N -1.76 0.69 -0.12 9.51 2.88 -1.26 -3.57 113.62 119.99 1a19 n SER 14 Ca 0.02 0.30 -0.09 0.00 -1.33 0.00 0.00 58.87 57.77 1a19 n SER 14 Cb 0.11 0.43 -0.01 0.00 -0.75 0.00 0.00 64.21 63.99 1a19 n SER 14 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1a19 h ASP 15 N 0.00 0.48 -0.58 -3.46 3.32 -1.01 -1.01 116.42 114.16 1a19 h ASP 15 Ca -0.18 -0.13 0.12 0.00 0.02 0.00 0.00 57.03 56.85 1a19 h ASP 15 Cb 1.57 -0.12 -0.09 0.00 0.22 0.00 0.00 39.33 40.91 1a19 h ASP 15 CO 0.04 0.47 0.03 0.25 -1.72 0.00 0.00 179.24 178.31 1a19 h LEU 16 N 0.45 -0.19 -0.29 1.55 6.46 -1.42 -1.03 115.31 120.84 1a19 h LEU 16 Ca 0.13 0.13 -0.19 0.00 -0.12 0.00 0.00 57.88 57.82 1a19 h LEU 16 Cb 0.12 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1a19 h LEU 16 CO -0.02 -0.07 -0.87 0.45 -0.62 0.00 0.00 178.44 177.31 1a19 h HIS 17 N 0.15 0.27 -0.55 1.25 3.86 -1.55 -1.71 115.15 116.86 1a19 h HIS 17 Ca 0.30 -0.15 -0.07 0.00 -1.16 0.00 0.00 60.37 59.29 1a19 h HIS 17 Cb 0.47 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 1a19 h HIS 17 CO -0.32 0.96 0.06 0.37 0.86 0.00 0.00 177.93 179.86 1a19 h GLN 18 N 0.10 0.90 -0.03 2.45 5.75 -0.71 -0.85 115.11 122.72 1a19 h GLN 18 Ca -0.04 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 58.21 1a19 h GLN 18 Cb 1.49 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.93 1a19 h GLN 18 CO 0.13 0.85 -0.07 1.15 -2.65 0.00 0.00 178.83 178.25 1a19 h THR 19 N 0.85 1.43 -0.67 2.39 2.02 -1.11 -3.04 112.91 114.78 1a19 h THR 19 Ca 0.17 -1.38 0.03 0.00 0.77 0.00 0.00 66.41 66.00 1a19 h THR 19 Cb 0.41 2.28 -0.04 0.00 -1.74 0.00 0.00 68.15 69.05 1a19 h THR 19 CO 0.01 0.37 0.41 -0.07 0.37 0.00 0.00 175.52 176.62 1a19 h LEU 20 N -0.42 0.67 -0.42 2.58 4.07 -1.26 0.35 115.31 120.88 1a19 h LEU 20 Ca 0.00 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.05 1a19 h LEU 20 Cb 0.64 -0.14 -0.08 0.00 1.08 0.00 0.00 40.66 42.16 1a19 h LEU 20 CO 0.01 0.46 -0.09 0.50 -1.08 0.00 0.00 178.44 178.25 1a19 h LYS 21 N 0.80 0.02 -0.02 1.13 3.64 -1.18 0.46 116.57 121.41 1a19 h LYS 21 Ca 0.27 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 1a19 h LYS 21 Cb 0.04 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1a19 h LYS 21 CO -0.11 0.01 -0.16 0.87 -2.27 0.00 0.00 179.45 177.79 1a19 h LYS 22 N 0.02 0.15 -0.38 1.90 1.57 -1.32 0.16 116.57 118.67 1a19 h LYS 22 Ca 0.20 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1a19 h LYS 22 Cb 0.31 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1a19 h LYS 22 CO -0.42 0.81 0.21 0.93 -0.57 0.00 0.00 179.45 180.42 1a19 h GLU 23 N -0.46 0.42 -0.17 3.15 4.39 -0.06 -1.95 114.58 119.89 1a19 h GLU 23 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1a19 h GLU 23 Cb 0.85 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1a19 h GLU 23 CO 0.03 0.28 0.00 1.28 -1.16 0.00 0.00 179.01 179.44 1a19 n LEU 24 N -4.89 2.07 -4.17 1.33 4.77 0.16 -4.82 117.00 111.46 1a19 n LEU 24 Ca 0.01 -0.83 -0.35 0.00 -0.03 0.00 0.00 56.01 54.81 1a19 n LEU 24 Cb 0.07 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1a19 n LEU 24 CO 0.32 0.42 -0.02 0.00 -1.33 0.00 0.00 177.39 176.77 1a19 n ALA 25 N 0.59 -1.31 -0.46 -1.18 0.00 -0.21 -4.88 120.51 113.07 1a19 n ALA 25 Ca 0.17 0.01 -0.26 0.00 0.00 0.00 0.00 53.44 53.36 1a19 n ALA 25 Cb 0.41 -3.52 0.21 0.00 0.00 0.00 0.00 19.45 16.55 1a19 n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1a19 n LEU 26 N -4.43 -1.32 -4.79 0.00 4.32 -0.13 -4.94 117.00 105.71 1a19 n LEU 26 Ca 0.05 -0.46 -0.32 0.00 -0.02 0.00 0.00 56.01 55.26 1a19 n LEU 26 Cb 0.51 -0.93 0.04 0.00 -1.62 0.00 0.00 43.42 41.42 1a19 n LEU 26 CO 0.84 -3.63 0.72 -2.84 -1.22 0.00 0.00 177.39 171.26 1a19 s PRO 27 N -4.03 2.91 0.55 3.23 0.02 -1.26 -4.92 135.00 131.50 1a19 s PRO 27 Ca 0.53 1.22 0.27 0.00 0.02 0.00 0.00 61.00 63.03 1a19 s PRO 27 Cb -0.11 -1.98 1.45 0.00 0.02 0.00 0.00 34.50 33.88 1a19 s PRO 27 CO 0.50 -1.14 1.99 1.49 -0.33 0.00 0.00 177.00 179.52 1a19 h GLU 28 N -0.15 0.00 -0.21 5.54 4.81 -1.98 -0.19 114.58 122.40 1a19 h GLU 28 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1a19 h GLU 28 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1a19 h GLU 28 CO 0.55 0.00 0.00 2.48 -0.73 0.00 0.00 179.01 181.31 1a19 n TYR 29 N -4.18 0.27 -1.22 0.92 4.11 -1.26 -4.94 117.16 110.85 1a19 n TYR 29 Ca 0.09 -0.14 -0.52 0.00 -0.00 0.00 0.00 57.90 57.33 1a19 n TYR 29 Cb 0.59 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.81 1a19 n TYR 29 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.86 177.84 1a19 n TYR 30 N 0.49 0.96 0.80 -3.48 9.36 -0.08 -4.73 117.16 120.47 1a19 n TYR 30 Ca 0.16 0.64 0.06 0.00 3.32 0.00 0.00 57.90 62.09 1a19 n TYR 30 Cb 0.36 -2.16 0.38 0.00 -0.63 0.00 0.00 39.34 37.29 1a19 n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1a19 n GLY 31 N 6.82 -0.40 3.44 2.98 0.00 -1.26 -4.89 105.19 111.88 1a19 n GLY 31 Ca 0.54 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 46.29 1a19 n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a19 n GLU 32 N -1.00 -1.49 -3.60 1.61 1.02 -1.26 -5.01 120.64 110.91 1a19 n GLU 32 Ca 0.10 0.87 -0.15 0.00 -0.02 0.00 0.00 57.16 57.96 1a19 n GLU 32 Cb 0.04 -4.65 -0.07 0.00 -0.02 0.00 0.00 31.44 26.75 1a19 n GLU 32 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1a19 s ASN 33 N -3.25 -0.72 0.45 1.62 2.20 -1.26 -5.02 114.94 108.96 1a19 s ASN 33 Ca 0.27 1.26 0.28 0.00 -0.94 0.00 0.00 52.86 53.73 1a19 s ASN 33 Cb -0.08 1.23 1.35 0.00 -2.00 0.00 0.00 41.25 41.75 1a19 s ASN 33 CO 0.81 -0.34 1.71 -0.07 -2.94 0.00 0.00 177.10 176.28 1a19 h LEU 34 N 4.49 0.26 -0.34 3.54 3.38 -1.98 0.96 115.31 125.61 1a19 h LEU 34 Ca -0.28 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1a19 h LEU 34 Cb 1.16 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1a19 h LEU 34 CO 0.14 -0.03 0.00 0.44 0.09 0.00 0.00 178.44 179.08 1a19 h ASP 35 N 0.18 0.58 0.82 -0.43 3.32 -1.99 -0.55 116.42 118.35 1a19 h ASP 35 Ca 0.69 -0.30 -0.06 0.00 0.02 0.00 0.00 57.03 57.37 1a19 h ASP 35 Cb 2.18 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 41.57 1a19 h ASP 35 CO -0.26 0.74 -0.30 0.00 -1.72 0.00 0.00 179.24 177.71 1a19 h ALA 36 N 0.86 1.04 -0.06 3.45 0.00 0.40 -2.53 119.26 122.42 1a19 h ALA 36 Ca 0.10 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1a19 h ALA 36 Cb 0.44 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1a19 h ALA 36 CO 0.02 0.37 -0.61 1.25 0.00 0.00 0.00 179.25 180.28 1a19 h LEU 37 N 0.00 0.64 0.20 0.00 5.85 -0.43 -2.49 115.31 119.09 1a19 h LEU 37 Ca -0.00 -0.70 0.01 0.00 0.84 0.00 0.00 57.88 58.03 1a19 h LEU 37 Cb 0.79 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1a19 h LEU 37 CO 0.04 1.24 -0.33 -0.25 -0.34 0.00 0.00 178.44 178.80 1a19 h TRP 38 N 0.09 -0.90 -0.56 1.25 2.91 -0.92 0.22 115.95 118.03 1a19 h TRP 38 Ca -0.06 0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.07 1a19 h TRP 38 Cb 1.28 0.37 -0.07 0.00 -0.51 0.00 0.00 29.16 30.23 1a19 h TRP 38 CO 0.12 -0.45 0.17 -0.44 -1.03 0.00 0.00 178.44 176.81 1a19 h ASP 39 N -0.61 0.12 -0.60 2.65 5.19 -1.54 0.23 116.42 121.85 1a19 h ASP 39 Ca 0.01 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1a19 h ASP 39 Cb 0.60 0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.17 1a19 h ASP 39 CO -0.14 0.08 0.37 0.00 -3.12 0.00 0.00 179.24 176.43 1a19 h LEU 41 N 0.85 0.33 -2.89 0.00 4.07 0.14 -1.15 115.31 116.65 1a19 h LEU 41 Ca 0.22 -0.17 -0.07 0.00 0.08 0.00 0.00 57.88 57.94 1a19 h LEU 41 Cb -0.02 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 41.58 1a19 h LEU 41 CO -0.04 0.80 0.09 0.35 -1.08 0.00 0.00 178.44 178.56 1a19 n THR 42 N -3.93 2.03 0.00 0.22 -2.24 0.61 -4.67 114.28 106.31 1a19 n THR 42 Ca -0.02 -1.04 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 1a19 n THR 42 Cb 0.57 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1a19 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a19 n GLY 43 N 0.23 0.04 0.10 3.38 0.00 -0.91 -5.00 105.19 103.04 1a19 n GLY 43 Ca 0.23 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 1a19 n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1a19 n TRP 44 N -0.44 0.80 -1.70 1.61 -0.00 -0.87 -4.96 117.44 111.88 1a19 n TRP 44 Ca 0.00 0.35 -0.41 0.00 -0.00 0.00 0.00 57.50 57.44 1a19 n TRP 44 Cb 0.00 -0.98 0.01 0.00 -0.00 0.00 0.00 31.31 30.34 1a19 n TRP 44 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1a19 n VAL 45 N -4.45 2.48 -3.98 5.87 0.31 -0.49 -5.00 118.33 113.07 1a19 n VAL 45 Ca -0.29 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.19 1a19 n VAL 45 Cb 0.61 -1.56 -0.11 0.00 -0.91 0.00 0.00 33.84 31.87 1a19 n VAL 45 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1a19 s GLU 46 N -2.16 3.89 0.27 5.55 -6.30 -1.26 -4.97 118.70 113.72 1a19 s GLU 46 Ca 0.60 -0.38 0.06 0.00 -2.50 0.00 0.00 54.97 52.75 1a19 s GLU 46 Cb -0.52 -3.23 -0.03 0.00 0.00 0.00 0.00 34.13 30.36 1a19 s GLU 46 CO 0.59 0.17 0.31 0.71 0.02 0.00 0.00 175.26 177.05 1a19 s TYR 47 N 0.66 3.19 0.67 5.30 2.02 -1.26 -4.51 117.35 123.42 1a19 s TYR 47 Ca 0.03 -0.13 -0.17 0.00 -0.37 0.00 0.00 57.07 56.43 1a19 s TYR 47 Cb -0.13 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 1a19 s TYR 47 CO 0.02 0.36 1.27 -2.14 -1.57 0.00 0.00 175.55 173.49 1a19 s PRO 48 N -3.96 2.42 -0.04 -1.71 0.02 -1.26 -5.08 135.00 125.39 1a19 s PRO 48 Ca 0.36 1.98 -0.01 0.00 0.02 0.00 0.00 61.00 63.36 1a19 s PRO 48 Cb -0.08 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.63 1a19 s PRO 48 CO 0.27 -1.68 0.03 -1.17 -0.33 0.00 0.00 177.00 174.12 1a19 s LEU 49 N -4.59 0.75 -0.23 -5.54 2.96 -0.88 -4.40 118.68 106.74 1a19 s LEU 49 Ca 0.80 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.73 1a19 s LEU 49 Cb -0.35 -0.18 0.03 0.00 0.50 0.00 0.00 46.19 46.19 1a19 s LEU 49 CO 0.41 -0.17 -0.11 0.54 -1.32 0.00 0.00 176.35 175.70 1a19 s VAL 50 N 1.51 2.46 -0.24 1.68 0.11 0.81 -0.76 120.40 125.98 1a19 s VAL 50 Ca -0.03 -1.15 -0.07 0.00 -2.93 0.00 0.00 61.98 57.79 1a19 s VAL 50 Cb -0.13 -2.24 -0.03 0.00 -1.53 0.00 0.00 36.38 32.45 1a19 s VAL 50 CO -0.03 0.24 0.07 -0.22 -3.33 0.00 0.00 175.10 171.83 1a19 s LEU 51 N 1.26 3.47 -0.31 2.54 2.96 0.13 -1.69 118.68 127.02 1a19 s LEU 51 Ca -0.01 -0.18 -0.09 0.00 -0.22 0.00 0.00 54.13 53.64 1a19 s LEU 51 Cb -0.16 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.60 1a19 s LEU 51 CO -0.07 -0.01 0.14 -0.70 -1.32 0.00 0.00 176.35 174.39 1a19 s GLU 52 N 1.45 3.21 -0.62 1.98 2.12 -0.52 -0.73 118.70 125.59 1a19 s GLU 52 Ca 0.06 -0.80 -0.11 0.00 0.36 0.00 0.00 54.97 54.48 1a19 s GLU 52 Cb -0.15 -3.54 0.16 0.00 0.26 0.00 0.00 34.13 30.86 1a19 s GLU 52 CO 0.03 -0.46 0.52 -0.46 -0.54 0.00 0.00 175.26 174.35 1a19 s TRP 53 N 1.58 3.49 0.19 5.30 -0.11 0.12 -1.21 118.94 128.30 1a19 s TRP 53 Ca 0.04 -1.95 -0.30 0.00 1.22 0.00 0.00 56.10 55.11 1a19 s TRP 53 Cb -0.17 -3.60 -0.08 0.00 -1.50 0.00 0.00 33.47 28.12 1a19 s TRP 53 CO 0.05 -0.97 1.10 1.03 -4.62 0.00 0.00 176.95 173.55 1a19 s ARG 54 N 0.80 4.60 -1.14 5.86 0.52 0.13 -2.03 118.95 127.69 1a19 s ARG 54 Ca 0.11 1.74 -0.22 0.00 -0.52 0.00 0.00 55.73 56.83 1a19 s ARG 54 Cb -0.21 -3.26 -0.00 0.00 0.52 0.00 0.00 34.95 31.99 1a19 s ARG 54 CO -0.03 0.09 0.78 1.04 0.02 0.00 0.00 175.30 177.20 1a19 n GLN 55 N 2.21 -1.07 0.32 3.54 3.00 -0.87 -1.24 117.38 123.26 1a19 n GLN 55 Ca 0.02 0.42 0.20 0.00 -0.01 0.00 0.00 57.00 57.63 1a19 n GLN 55 Cb 0.46 -3.87 1.09 0.00 0.00 0.00 0.00 30.24 27.91 1a19 n GLN 55 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1a19 h PHE 56 N -1.94 0.00 0.44 1.08 3.57 -1.69 -3.13 116.94 115.27 1a19 h PHE 56 Ca -0.66 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 60.82 1a19 h PHE 56 Cb 1.36 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 1a19 h PHE 56 CO 0.34 0.00 -0.34 1.49 -2.23 0.00 0.00 178.31 177.57 1a19 h GLU 57 N 0.00 -0.72 0.04 1.11 4.57 -1.90 -1.23 114.58 116.44 1a19 h GLU 57 Ca 0.01 0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1a19 h GLU 57 Cb 0.07 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1a19 h GLU 57 CO -0.00 -0.48 -0.26 1.96 -1.18 0.00 0.00 179.01 179.04 1a19 h GLN 58 N -0.75 -0.35 -0.00 1.92 7.50 -1.84 0.06 115.11 121.65 1a19 h GLN 58 Ca -0.06 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.12 1a19 h GLN 58 Cb 0.63 0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.23 1a19 h GLN 58 CO 0.01 -0.23 0.72 0.66 -1.50 0.00 0.00 178.83 178.49 1a19 h SER 59 N -0.36 0.00 0.00 1.46 4.64 -1.61 0.21 113.55 117.89 1a19 h SER 59 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1a19 h SER 59 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1a19 h SER 59 CO -0.16 0.00 -0.54 0.50 -0.87 0.00 0.00 176.83 175.77 1a19 h LYS 60 N 0.00 0.00 -0.30 4.77 1.63 0.25 -3.38 116.57 119.54 1a19 h LYS 60 Ca 0.00 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.70 1a19 h LYS 60 Cb 1.44 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.06 1a19 h LYS 60 CO -0.00 0.65 -0.20 -0.56 -3.45 0.00 0.00 179.45 175.89 1a19 h GLN 61 N -1.00 0.67 -1.08 1.90 3.07 0.27 -1.05 115.11 117.89 1a19 h GLN 61 Ca -0.12 -0.32 0.00 0.00 0.09 0.00 0.00 58.65 58.30 1a19 h GLN 61 Cb 0.85 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.40 1a19 h GLN 61 CO -0.07 0.91 0.00 1.28 0.09 0.00 0.00 178.83 181.04 1a19 n LEU 62 N -4.34 2.93 -0.72 0.06 7.99 0.42 -3.23 117.00 120.10 1a19 n LEU 62 Ca -0.03 -1.46 -0.01 0.00 -0.01 0.00 0.00 56.01 54.50 1a19 n LEU 62 Cb 0.42 -0.50 -0.01 0.00 -0.11 0.00 0.00 43.42 43.22 1a19 n LEU 62 CO 0.43 0.49 0.25 0.35 -1.51 0.00 0.00 177.39 177.40 1a19 n THR 63 N 0.55 0.00 -1.99 -5.08 -2.24 -1.19 -4.08 114.28 100.25 1a19 n THR 63 Ca 0.00 -0.13 -0.20 0.00 -2.27 0.00 0.00 64.05 61.45 1a19 n THR 63 Cb 0.48 0.36 -0.05 0.00 -2.10 0.00 0.00 70.33 69.02 1a19 n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a19 n GLU 64 N 0.06 -1.58 -1.19 -0.78 1.02 -1.20 -0.84 120.64 116.14 1a19 n GLU 64 Ca -0.05 1.10 -0.07 0.00 -0.02 0.00 0.00 57.16 58.13 1a19 n GLU 64 Cb 0.68 -5.62 -0.03 0.00 -0.02 0.00 0.00 31.44 26.45 1a19 n GLU 64 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1a19 n ASN 65 N -1.66 -3.86 -0.05 1.62 2.85 -0.40 -4.90 115.26 108.85 1a19 n ASN 65 Ca -0.22 0.16 0.12 0.00 -0.11 0.00 0.00 54.58 54.53 1a19 n ASN 65 Cb 0.68 -1.94 0.70 0.00 1.24 0.00 0.00 39.78 40.46 1a19 n ASN 65 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1a19 n GLY 66 N -2.09 -0.88 0.11 8.20 0.00 -0.02 -3.19 105.19 107.33 1a19 n GLY 66 Ca -0.07 -0.18 0.01 0.00 0.00 0.00 0.00 46.02 45.79 1a19 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a19 h ALA 67 N 3.82 0.65 0.00 4.61 0.00 -1.80 -3.33 119.26 123.21 1a19 h ALA 67 Ca 0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.21 1a19 h ALA 67 Cb 0.05 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1a19 h ALA 67 CO 0.00 0.76 -0.23 1.49 0.00 0.00 0.00 179.25 181.27 1a19 h GLU 68 N 0.00 0.00 0.05 0.00 4.57 -1.91 -1.90 114.58 115.40 1a19 h GLU 68 Ca -0.09 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.90 1a19 h GLU 68 Cb 1.48 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 30.09 1a19 h GLU 68 CO 0.05 0.23 -0.75 0.77 -1.18 0.00 0.00 179.01 178.14 1a19 h SER 69 N 0.00 0.57 -0.03 1.04 0.02 -1.77 -2.40 113.55 110.97 1a19 h SER 69 Ca -0.00 -0.82 0.03 0.00 -0.84 0.00 0.00 61.79 60.16 1a19 h SER 69 Cb 0.57 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 1a19 h SER 69 CO 0.03 1.33 -0.17 0.58 -1.14 0.00 0.00 176.83 177.46 1a19 h VAL 70 N -0.12 0.58 -0.71 2.27 2.07 -1.64 -1.70 116.25 117.00 1a19 h VAL 70 Ca -0.11 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.54 1a19 h VAL 70 Cb 1.49 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 1a19 h VAL 70 CO 0.14 0.00 0.47 0.25 0.02 0.00 0.00 177.57 178.46 1a19 h LEU 71 N -0.26 0.43 -0.99 2.57 5.85 -1.38 0.09 115.31 121.61 1a19 h LEU 71 Ca 0.06 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1a19 h LEU 71 Cb 0.35 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1a19 h LEU 71 CO -0.18 0.24 -0.41 -0.61 -0.34 0.00 0.00 178.44 177.14 1a19 h GLN 72 N 0.47 0.00 -0.30 1.25 5.75 -0.82 0.92 115.11 122.38 1a19 h GLN 72 Ca 0.34 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.73 1a19 h GLN 72 Cb 0.69 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 1a19 h GLN 72 CO -0.11 0.41 -0.24 0.28 -2.65 0.00 0.00 178.83 176.51 1a19 h VAL 73 N 0.00 1.30 -0.42 2.39 2.07 -0.14 0.88 116.25 122.33 1a19 h VAL 73 Ca -0.00 -1.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 1a19 h VAL 73 Cb 0.88 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1a19 h VAL 73 CO 0.05 0.45 0.05 -0.26 0.02 0.00 0.00 177.57 177.88 1a19 h PHE 74 N 0.44 0.76 0.00 1.57 0.04 -1.12 0.09 116.94 118.72 1a19 h PHE 74 Ca 0.05 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1a19 h PHE 74 Cb 0.80 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.74 1a19 h PHE 74 CO 0.07 0.74 0.00 0.00 -0.60 0.00 0.00 178.31 178.52 1a19 h ARG 75 N 0.56 0.00 0.11 1.51 2.47 -0.66 -2.23 114.38 116.14 1a19 h ARG 75 Ca 0.13 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.53 1a19 h ARG 75 Cb 0.41 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 1a19 h ARG 75 CO 0.01 0.00 -1.68 0.93 0.56 0.00 0.00 179.97 179.79 1a19 h GLU 76 N 0.00 0.24 -0.15 0.04 4.39 0.09 -3.10 114.58 116.09 1a19 h GLU 76 Ca 0.00 -0.41 0.03 0.00 0.34 0.00 0.00 59.36 59.33 1a19 h GLU 76 Cb 0.24 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 1a19 h GLU 76 CO 0.00 1.19 -0.05 0.00 -1.16 0.00 0.00 179.01 178.99 1a19 h ALA 77 N -0.04 0.09 -0.56 3.43 0.00 -0.71 0.24 119.26 121.70 1a19 h ALA 77 Ca -0.37 0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.72 1a19 h ALA 77 Cb 1.85 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 19.68 1a19 h ALA 77 CO 0.05 -0.49 -0.08 -0.22 0.00 0.00 0.00 179.25 178.50 1a19 h LYS 78 N -0.02 0.04 0.44 0.00 3.64 -1.55 0.08 116.57 119.20 1a19 h LYS 78 Ca 0.08 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1a19 h LYS 78 Cb 0.14 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1a19 h LYS 78 CO -0.17 0.03 -0.45 0.00 -2.27 0.00 0.00 179.45 176.59 1a19 h ALA 79 N 1.54 -0.99 -0.82 5.00 0.00 -1.11 -1.28 119.26 121.60 1a19 h ALA 79 Ca 0.28 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.20 1a19 h ALA 79 Cb 0.43 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1a19 h ALA 79 CO -0.54 -1.09 0.54 0.93 0.00 0.00 0.00 179.25 179.09 1a19 h GLU 80 N -0.90 0.40 0.00 0.00 3.07 -0.47 -3.45 114.58 113.23 1a19 h GLU 80 Ca -0.05 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1a19 h GLU 80 Cb 0.80 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1a19 h GLU 80 CO -0.07 0.27 0.00 0.41 -1.40 0.00 0.00 179.01 178.22 1a19 n GLY 81 N -1.52 1.80 2.58 -3.84 0.00 -0.05 -5.11 105.19 99.05 1a19 n GLY 81 Ca 0.16 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1a19 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a19 n ALA 82 N 0.00 -2.44 -2.84 4.61 0.00 -0.77 -4.81 120.51 114.26 1a19 n ALA 82 Ca 0.00 0.34 -0.44 0.00 0.00 0.00 0.00 53.44 53.34 1a19 n ALA 82 Cb 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 1a19 n ALA 82 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1a19 s ASP 83 N -0.74 6.92 0.02 0.00 -1.08 -1.26 -4.23 116.67 116.30 1a19 s ASP 83 Ca 0.49 -2.63 0.07 0.00 -0.52 0.00 0.00 52.55 49.96 1a19 s ASP 83 Cb -0.71 -2.45 -0.03 0.00 -1.46 0.00 0.00 42.92 38.27 1a19 s ASP 83 CO 0.42 -0.93 -0.21 -0.63 0.52 0.00 0.00 175.17 174.34 1a19 s ILE 84 N 2.53 2.53 -0.09 4.11 1.01 -1.26 -2.08 121.20 127.95 1a19 s ILE 84 Ca 0.44 -1.17 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1a19 s ILE 84 Cb -0.02 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.46 1a19 s ILE 84 CO -0.00 0.42 -0.16 -0.89 0.00 0.00 0.00 174.94 174.30 1a19 s THR 85 N -0.82 1.51 -0.23 2.92 2.01 0.07 -4.97 115.64 116.13 1a19 s THR 85 Ca 0.13 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1a19 s THR 85 Cb -0.10 -1.36 0.04 0.00 0.01 0.00 0.00 72.50 71.09 1a19 s THR 85 CO 0.03 0.44 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.62 1a19 s ILE 86 N 0.73 2.11 -0.42 1.82 1.01 -1.26 0.17 121.20 125.36 1a19 s ILE 86 Ca -0.12 -1.35 -0.14 0.00 0.00 0.00 0.00 60.65 59.03 1a19 s ILE 86 Cb -0.16 -2.10 0.04 0.00 0.01 0.00 0.00 42.46 40.24 1a19 s ILE 86 CO 0.03 0.20 0.31 -0.63 0.00 0.00 0.00 174.94 174.84 1a19 s ILE 87 N 1.18 5.09 -1.11 2.92 1.01 0.09 -4.99 121.20 125.40 1a19 s ILE 87 Ca -0.03 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 1a19 s ILE 87 Cb -0.17 -3.90 0.19 0.00 0.01 0.00 0.00 42.46 38.59 1a19 s ILE 87 CO -0.08 -0.37 1.25 -0.76 0.00 0.00 0.00 174.94 174.98 1a19 s LEU 88 N 1.64 5.49 0.00 2.97 1.02 -1.26 -0.70 118.68 127.84 1a19 s LEU 88 Ca 0.04 -2.95 0.25 0.00 0.02 0.00 0.00 54.13 51.50 1a19 s LEU 88 Cb -0.20 -2.34 0.48 0.00 0.02 0.00 0.00 46.19 44.14 1a19 s LEU 88 CO 0.08 -0.68 1.42 -1.54 0.02 0.00 0.00 176.35 175.66