#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 3.45 0.09 1.64 1.02 -1.26 0.29 119.74 124.97 1a19 s LYS 2 Ca 0.00 -0.64 0.10 0.00 0.02 0.00 0.00 55.97 55.45 1a19 s LYS 2 Cb 0.00 -2.75 -0.03 0.00 -0.52 0.00 0.00 37.83 34.52 1a19 s LYS 2 CO 0.00 0.16 -0.26 0.00 -0.92 0.00 0.00 175.35 174.33 1a19 s ALA 3 N 0.53 2.22 -0.06 5.17 0.00 -0.45 -4.97 121.76 124.20 1a19 s ALA 3 Ca -0.07 -1.34 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 1a19 s ALA 3 Cb -0.15 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.60 1a19 s ALA 3 CO 0.03 0.50 0.02 0.08 0.00 0.00 0.00 175.76 176.40 1a19 s VAL 4 N -0.97 0.22 -0.13 0.00 1.01 -1.26 -1.27 120.40 118.00 1a19 s VAL 4 Ca 0.12 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.31 1a19 s VAL 4 Cb -0.10 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1a19 s VAL 4 CO 0.04 0.22 -0.21 -0.63 0.00 0.00 0.00 175.10 174.52 1a19 s ILE 5 N 1.85 2.24 -0.34 2.22 1.01 -0.23 -5.01 121.20 122.94 1a19 s ILE 5 Ca 0.02 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 1a19 s ILE 5 Cb -0.12 -1.90 0.07 0.00 0.01 0.00 0.00 42.46 40.52 1a19 s ILE 5 CO -0.04 0.54 0.08 0.20 0.00 0.00 0.00 174.94 175.72 1a19 s ASN 6 N 0.64 5.03 0.00 3.58 -0.87 -1.26 -0.37 114.94 121.69 1a19 s ASN 6 Ca -0.11 -1.57 0.00 0.00 -1.57 0.00 0.00 52.86 49.61 1a19 s ASN 6 Cb -0.16 -1.76 0.00 0.00 -0.02 0.00 0.00 41.25 39.31 1a19 s ASN 6 CO 0.02 -0.37 0.59 0.61 -2.57 0.00 0.00 177.10 175.39 1a19 n GLY 7 N 4.60 -0.17 0.35 0.66 0.00 -0.40 -1.75 105.19 108.47 1a19 n GLY 7 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 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 1.15 0.00 1.61 4.81 -1.82 -3.25 114.58 117.08 1a19 h GLU 8 Ca 0.00 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1a19 h GLU 8 Cb 0.14 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 1a19 h GLU 8 CO 0.00 0.87 -1.98 1.04 -0.73 0.00 0.00 179.01 178.20 1a19 n GLN 9 N -4.32 0.65 -1.54 1.92 1.13 -0.72 -4.75 117.38 109.74 1a19 n GLN 9 Ca 0.08 -0.18 -0.32 0.00 -1.94 0.00 0.00 57.00 54.65 1a19 n GLN 9 Cb 0.12 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 28.90 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 -2.26 1.29 0.34 5.09 -0.00 -1.23 -4.59 119.36 118.00 1a19 n ILE 10 Ca -0.06 -1.27 0.14 0.00 -0.00 0.00 0.00 62.75 61.57 1a19 n ILE 10 Cb 0.59 -2.15 0.53 0.00 -0.00 0.00 0.00 39.64 38.60 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 9.65 0.00 -3.97 0.38 -0.00 -1.85 -3.43 114.38 115.17 1a19 h ARG 11 Ca 0.24 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.61 1a19 h ARG 11 Cb 0.85 0.00 -0.14 0.00 0.00 0.00 0.00 29.97 30.68 1a19 h ARG 11 CO 1.48 0.00 -0.43 -1.54 0.00 0.00 0.00 179.97 179.48 1a19 s SER 12 N -5.20 0.17 0.08 7.04 1.04 -1.26 -4.67 113.70 110.90 1a19 s SER 12 Ca 0.04 -0.83 0.15 0.00 0.48 0.00 0.00 55.95 55.79 1a19 s SER 12 Cb 0.09 0.34 0.64 0.00 0.10 0.00 0.00 66.02 67.19 1a19 s SER 12 CO 0.52 -0.76 1.46 0.00 0.98 0.00 0.00 173.24 175.44 1a19 n ILE 13 N -0.08 1.13 0.01 -1.02 0.13 -1.26 -0.81 119.36 117.46 1a19 n ILE 13 Ca -0.12 0.32 -0.00 0.00 -1.10 0.00 0.00 62.75 61.85 1a19 n ILE 13 Cb 0.63 -1.18 -0.10 0.00 -0.84 0.00 0.00 39.64 38.15 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 -1.73 0.67 -0.19 9.51 2.88 -1.26 -3.46 113.62 120.05 1a19 n SER 14 Ca 0.02 0.30 -0.08 0.00 -1.33 0.00 0.00 58.87 57.78 1a19 n SER 14 Cb 0.15 0.43 0.02 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.74 -0.42 -3.46 3.32 -1.36 -0.52 116.42 114.72 1a19 h ASP 15 Ca -0.20 -0.17 0.08 0.00 0.02 0.00 0.00 57.03 56.77 1a19 h ASP 15 Cb 1.62 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.91 1a19 h ASP 15 CO 0.04 0.70 -0.05 0.25 -1.72 0.00 0.00 179.24 178.46 1a19 h LEU 16 N 0.73 -0.28 -0.59 1.55 6.46 -1.45 -0.27 115.31 121.46 1a19 h LEU 16 Ca 0.18 0.11 -0.15 0.00 -0.12 0.00 0.00 57.88 57.90 1a19 h LEU 16 Cb 0.19 0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1a19 h LEU 16 CO -0.02 -0.09 -0.70 0.45 -0.62 0.00 0.00 178.44 177.46 1a19 h HIS 17 N 0.05 0.02 -0.40 1.25 3.86 -1.52 -1.34 115.15 117.07 1a19 h HIS 17 Ca 0.21 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.31 1a19 h HIS 17 Cb 0.31 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 1a19 h HIS 17 CO -0.32 0.71 -0.16 0.37 0.86 0.00 0.00 177.93 179.39 1a19 h GLN 18 N 0.01 0.75 -0.04 2.45 5.75 -0.54 -1.25 115.11 122.24 1a19 h GLN 18 Ca -0.01 -0.27 -0.08 0.00 -0.15 0.00 0.00 58.65 58.14 1a19 h GLN 18 Cb 1.25 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.75 1a19 h GLN 18 CO 0.09 0.87 -0.29 1.15 -2.65 0.00 0.00 178.83 178.00 1a19 h THR 19 N 0.67 1.46 -0.47 2.39 2.02 -0.88 -3.07 112.91 115.04 1a19 h THR 19 Ca 0.11 -1.77 0.02 0.00 0.77 0.00 0.00 66.41 65.54 1a19 h THR 19 Cb 0.65 2.47 -0.03 0.00 -1.74 0.00 0.00 68.15 69.49 1a19 h THR 19 CO 0.05 0.50 0.27 -0.07 0.37 0.00 0.00 175.52 176.64 1a19 h LEU 20 N -0.28 0.44 -0.62 2.58 4.07 -1.24 0.19 115.31 120.45 1a19 h LEU 20 Ca -0.02 0.01 0.13 0.00 0.08 0.00 0.00 57.88 58.07 1a19 h LEU 20 Cb 0.96 -0.09 -0.11 0.00 1.08 0.00 0.00 40.66 42.51 1a19 h LEU 20 CO 0.06 0.31 -0.04 0.50 -1.08 0.00 0.00 178.44 178.19 1a19 h LYS 21 N 0.55 0.08 0.02 1.13 3.64 -1.26 0.22 116.57 120.95 1a19 h LYS 21 Ca 0.19 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 1a19 h LYS 21 Cb 0.02 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1a19 h LYS 21 CO -0.09 0.05 -0.47 0.87 -2.27 0.00 0.00 179.45 177.54 1a19 h LYS 22 N 0.08 0.29 -0.73 1.90 1.57 -1.32 0.11 116.57 118.48 1a19 h LYS 22 Ca 0.32 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1a19 h LYS 22 Cb 0.52 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 1a19 h LYS 22 CO -0.56 1.05 0.35 0.93 -0.57 0.00 0.00 179.45 180.64 1a19 h GLU 23 N -0.32 1.05 -0.28 3.15 4.39 -0.31 -2.14 114.58 120.12 1a19 h GLU 23 Ca -0.06 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1a19 h GLU 23 Cb 1.23 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1a19 h GLU 23 CO 0.09 0.82 0.00 1.28 -1.16 0.00 0.00 179.01 180.05 1a19 n LEU 24 N -4.41 2.86 -4.06 1.33 4.77 0.74 -4.79 117.00 113.44 1a19 n LEU 24 Ca 0.06 -1.19 -0.31 0.00 -0.03 0.00 0.00 56.01 54.54 1a19 n LEU 24 Cb 0.13 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1a19 n LEU 24 CO 0.39 0.60 -0.08 0.00 -1.33 0.00 0.00 177.39 176.97 1a19 n ALA 25 N 1.12 -1.56 -0.43 -1.18 0.00 -0.69 -4.87 120.51 112.89 1a19 n ALA 25 Ca 0.18 -0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 1a19 n ALA 25 Cb 0.52 -2.90 0.26 0.00 0.00 0.00 0.00 19.45 17.33 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 -4.44 -1.61 -4.74 0.00 4.32 0.29 -4.94 117.00 105.88 1a19 n LEU 26 Ca -0.08 -0.37 -0.33 0.00 -0.02 0.00 0.00 56.01 55.21 1a19 n LEU 26 Cb 0.57 -1.13 0.09 0.00 -1.62 0.00 0.00 43.42 41.34 1a19 n LEU 26 CO 0.80 -3.64 0.74 -2.84 -1.22 0.00 0.00 177.39 171.22 1a19 s PRO 27 N -4.37 2.18 0.51 3.23 0.02 -1.26 -4.90 135.00 130.41 1a19 s PRO 27 Ca 0.65 1.47 0.19 0.00 0.02 0.00 0.00 61.00 63.33 1a19 s PRO 27 Cb -0.20 -1.87 1.27 0.00 0.02 0.00 0.00 34.50 33.73 1a19 s PRO 27 CO 0.62 -1.74 2.06 1.49 -0.33 0.00 0.00 177.00 179.11 1a19 h GLU 28 N -0.66 0.07 -0.24 5.54 4.81 -1.98 -0.93 114.58 121.19 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 1.26 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1a19 h GLU 28 CO 0.50 0.05 0.00 2.48 -0.73 0.00 0.00 179.01 181.31 1a19 n TYR 29 N -4.46 0.31 -1.50 0.92 4.11 -1.26 -4.95 117.16 110.33 1a19 n TYR 29 Ca 0.04 -0.16 -0.64 0.00 -0.00 0.00 0.00 57.90 57.15 1a19 n TYR 29 Cb 0.33 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.56 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 0.43 1.46 1.44 -3.48 9.36 -0.36 -4.76 117.16 121.25 1a19 n TYR 30 Ca 0.15 0.96 0.08 0.00 3.32 0.00 0.00 57.90 62.41 1a19 n TYR 30 Cb 0.33 -2.24 0.49 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 5.63 -0.72 3.48 2.98 0.00 -1.26 -4.91 105.19 110.39 1a19 n GLY 31 Ca 0.42 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.86 -1.39 -3.57 1.61 1.02 -1.26 -5.00 120.64 111.19 1a19 n GLU 32 Ca 0.12 0.92 -0.15 0.00 -0.02 0.00 0.00 57.16 58.03 1a19 n GLU 32 Cb 0.06 -4.28 -0.06 0.00 -0.02 0.00 0.00 31.44 27.14 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 -3.17 -0.63 0.44 1.62 2.20 -1.26 -5.01 114.94 109.13 1a19 s ASN 33 Ca 0.18 0.91 0.25 0.00 -0.94 0.00 0.00 52.86 53.26 1a19 s ASN 33 Cb -0.06 0.82 1.27 0.00 -2.00 0.00 0.00 41.25 41.27 1a19 s ASN 33 CO 0.83 -0.43 1.76 -0.07 -2.94 0.00 0.00 177.10 176.25 1a19 h LEU 34 N 3.64 0.30 -0.52 3.54 3.38 -1.98 0.54 115.31 124.22 1a19 h LEU 34 Ca -0.27 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1a19 h LEU 34 Cb 1.15 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1a19 h LEU 34 CO 0.25 0.03 -0.07 0.44 0.09 0.00 0.00 178.44 179.19 1a19 h ASP 35 N 0.25 0.95 1.36 -0.43 3.32 -1.99 0.19 116.42 120.06 1a19 h ASP 35 Ca 0.61 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 1a19 h ASP 35 Cb 1.84 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 41.12 1a19 h ASP 35 CO -0.23 1.06 -0.21 0.00 -1.72 0.00 0.00 179.24 178.15 1a19 h ALA 36 N 0.92 0.92 -0.00 3.45 0.00 -0.42 -2.66 119.26 121.47 1a19 h ALA 36 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1a19 h ALA 36 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1a19 h ALA 36 CO 0.04 0.26 -0.20 1.25 0.00 0.00 0.00 179.25 180.60 1a19 h LEU 37 N 0.00 0.17 -0.19 0.00 5.85 -0.53 -2.39 115.31 118.22 1a19 h LEU 37 Ca -0.00 -0.78 0.05 0.00 0.84 0.00 0.00 57.88 57.99 1a19 h LEU 37 Cb 0.94 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.85 1a19 h LEU 37 CO 0.03 0.93 -0.28 -0.25 -0.34 0.00 0.00 178.44 178.54 1a19 h TRP 38 N -0.57 -0.75 -0.51 1.25 2.91 -0.92 0.26 115.95 117.63 1a19 h TRP 38 Ca -0.02 0.04 0.06 0.00 1.13 0.00 0.00 58.89 60.09 1a19 h TRP 38 Cb 0.96 0.36 -0.05 0.00 -0.51 0.00 0.00 29.16 29.92 1a19 h TRP 38 CO 0.19 -0.35 0.21 -0.44 -1.03 0.00 0.00 178.44 177.01 1a19 h ASP 39 N -0.31 0.25 -0.45 2.65 5.19 -1.56 0.26 116.42 122.45 1a19 h ASP 39 Ca 0.12 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1a19 h ASP 39 Cb 0.50 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.00 1a19 h ASP 39 CO -0.37 0.17 0.28 0.00 -3.12 0.00 0.00 179.24 176.21 1a19 h LEU 41 N 0.62 0.07 -3.23 0.00 4.07 0.90 -0.51 115.31 117.23 1a19 h LEU 41 Ca 0.16 -0.05 -0.11 0.00 0.08 0.00 0.00 57.88 57.96 1a19 h LEU 41 Cb -0.04 -0.02 -0.07 0.00 1.08 0.00 0.00 40.66 41.61 1a19 h LEU 41 CO -0.03 0.78 0.14 0.35 -1.08 0.00 0.00 178.44 178.60 1a19 n THR 42 N -3.70 2.40 0.00 0.22 -2.24 0.79 -4.71 114.28 107.05 1a19 n THR 42 Ca -0.01 -1.25 0.00 0.00 -2.27 0.00 0.00 64.05 60.52 1a19 n THR 42 Cb 0.71 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.14 0.06 0.07 3.38 0.00 -0.89 -5.00 105.19 102.96 1a19 n GLY 43 Ca 0.30 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 46.20 1a19 n GLY 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1a19 h TRP 44 N 0.00 0.00 -3.56 1.61 2.91 -1.57 -3.47 115.95 111.87 1a19 h TRP 44 Ca 0.00 0.00 -0.56 0.00 1.13 0.00 0.00 58.89 59.46 1a19 h TRP 44 Cb 0.00 0.00 0.12 0.00 -0.51 0.00 0.00 29.16 28.77 1a19 h TRP 44 CO 0.00 0.51 0.51 0.28 -1.03 0.00 0.00 178.44 178.70 1a19 n VAL 45 N -4.63 2.54 -3.82 2.65 0.31 -0.25 -4.99 118.33 110.13 1a19 n VAL 45 Ca -0.10 -0.50 -0.36 0.00 -0.01 0.00 0.00 64.34 63.37 1a19 n VAL 45 Cb 0.30 -1.59 -0.11 0.00 -0.91 0.00 0.00 33.84 31.54 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 -2.21 3.86 0.29 5.55 -6.30 -1.26 -4.97 118.70 113.66 1a19 s GLU 46 Ca 0.61 -0.39 0.04 0.00 -2.50 0.00 0.00 54.97 52.73 1a19 s GLU 46 Cb -0.51 -3.36 -0.02 0.00 0.00 0.00 0.00 34.13 30.24 1a19 s GLU 46 CO 0.58 0.00 0.43 0.71 0.02 0.00 0.00 175.26 177.00 1a19 s TYR 47 N 1.14 3.37 0.61 5.30 2.02 -1.26 -4.49 117.35 124.04 1a19 s TYR 47 Ca 0.05 0.00 -0.19 0.00 -0.37 0.00 0.00 57.07 56.57 1a19 s TYR 47 Cb -0.14 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.64 1a19 s TYR 47 CO 0.04 0.25 1.25 -2.14 -1.57 0.00 0.00 175.55 173.38 1a19 s PRO 48 N -4.10 2.80 -0.04 -1.71 0.02 -1.26 -5.08 135.00 125.63 1a19 s PRO 48 Ca 0.38 1.94 0.01 0.00 0.02 0.00 0.00 61.00 63.35 1a19 s PRO 48 Cb -0.09 -1.90 0.02 0.00 0.02 0.00 0.00 34.50 32.55 1a19 s PRO 48 CO 0.31 -1.37 -0.02 -1.17 -0.33 0.00 0.00 177.00 174.42 1a19 s LEU 49 N -4.17 1.22 -0.22 -5.54 2.96 -0.79 -4.33 118.68 107.80 1a19 s LEU 49 Ca 0.80 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 1a19 s LEU 49 Cb -0.34 -0.36 0.04 0.00 0.50 0.00 0.00 46.19 46.03 1a19 s LEU 49 CO 0.36 -0.08 -0.14 0.54 -1.32 0.00 0.00 176.35 175.71 1a19 s VAL 50 N 1.02 2.24 -0.27 1.68 0.11 0.15 -0.44 120.40 124.89 1a19 s VAL 50 Ca -0.10 -1.20 -0.09 0.00 -2.93 0.00 0.00 61.98 57.66 1a19 s VAL 50 Cb -0.14 -2.12 -0.03 0.00 -1.53 0.00 0.00 36.38 32.57 1a19 s VAL 50 CO -0.01 0.28 0.12 -0.22 -3.33 0.00 0.00 175.10 171.94 1a19 s LEU 51 N 1.23 3.74 -0.27 2.54 2.96 0.17 -1.34 118.68 127.70 1a19 s LEU 51 Ca -0.01 -0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 53.59 1a19 s LEU 51 Cb -0.16 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 1a19 s LEU 51 CO -0.09 -0.07 0.11 -0.70 -1.32 0.00 0.00 176.35 174.28 1a19 s GLU 52 N 1.65 3.58 -0.64 1.98 2.12 -0.40 -0.61 118.70 126.39 1a19 s GLU 52 Ca 0.06 -0.54 -0.06 0.00 0.36 0.00 0.00 54.97 54.79 1a19 s GLU 52 Cb -0.16 -3.43 0.17 0.00 0.26 0.00 0.00 34.13 30.97 1a19 s GLU 52 CO 0.06 -0.26 0.49 -0.46 -0.54 0.00 0.00 175.26 174.55 1a19 s TRP 53 N 1.63 3.50 0.17 5.30 -0.11 0.17 -1.07 118.94 128.53 1a19 s TRP 53 Ca 0.06 -2.42 -0.30 0.00 1.22 0.00 0.00 56.10 54.66 1a19 s TRP 53 Cb -0.16 -3.39 -0.08 0.00 -1.50 0.00 0.00 33.47 28.35 1a19 s TRP 53 CO 0.05 -0.90 1.20 1.03 -4.62 0.00 0.00 176.95 173.71 1a19 s ARG 54 N 0.25 4.48 -1.19 5.86 0.52 0.50 -2.35 118.95 127.02 1a19 s ARG 54 Ca 0.15 1.86 -0.14 0.00 -0.52 0.00 0.00 55.73 57.09 1a19 s ARG 54 Cb -0.19 -3.25 -0.01 0.00 0.52 0.00 0.00 34.95 32.01 1a19 s ARG 54 CO -0.04 -0.12 0.74 1.04 0.02 0.00 0.00 175.30 176.94 1a19 n GLN 55 N 2.73 -2.13 0.33 3.54 3.00 -0.85 -1.28 117.38 122.72 1a19 n GLN 55 Ca 0.05 0.51 0.21 0.00 -0.01 0.00 0.00 57.00 57.76 1a19 n GLN 55 Cb 0.45 -4.49 1.10 0.00 0.00 0.00 0.00 30.24 27.29 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 -1.81 0.00 0.60 1.08 3.57 -1.68 -3.06 116.94 115.64 1a19 h PHE 56 Ca -0.65 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 60.83 1a19 h PHE 56 Cb 1.36 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.09 1a19 h PHE 56 CO 0.37 0.00 -0.38 1.49 -2.23 0.00 0.00 178.31 177.56 1a19 h GLU 57 N 0.00 -0.88 0.07 1.11 4.57 -1.90 -1.30 114.58 116.25 1a19 h GLU 57 Ca 0.00 0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1a19 h GLU 57 Cb 0.19 0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 1a19 h GLU 57 CO 0.00 -0.59 -0.30 1.96 -1.18 0.00 0.00 179.01 178.90 1a19 h GLN 58 N -0.92 -0.41 0.00 1.92 7.50 -1.82 -0.08 115.11 121.30 1a19 h GLN 58 Ca -0.08 0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.10 1a19 h GLN 58 Cb 0.74 0.09 0.00 0.00 0.05 0.00 0.00 27.48 28.36 1a19 h GLN 58 CO 0.07 -0.27 0.53 0.66 -1.50 0.00 0.00 178.83 178.32 1a19 h SER 59 N -0.42 0.00 0.00 1.46 4.64 -1.59 0.24 113.55 117.88 1a19 h SER 59 Ca -0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1a19 h SER 59 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1a19 h SER 59 CO -0.16 0.00 -1.01 0.50 -0.87 0.00 0.00 176.83 175.29 1a19 h LYS 60 N 0.00 0.00 -0.14 4.77 1.63 0.17 -3.40 116.57 119.60 1a19 h LYS 60 Ca 0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 1a19 h LYS 60 Cb 1.05 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.68 1a19 h LYS 60 CO 0.00 0.77 -0.13 -0.56 -3.45 0.00 0.00 179.45 176.09 1a19 h GLN 61 N -1.00 0.33 -1.44 1.90 3.07 0.46 -0.93 115.11 117.51 1a19 h GLN 61 Ca -0.25 -0.17 0.00 0.00 0.09 0.00 0.00 58.65 58.32 1a19 h GLN 61 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.66 1a19 h GLN 61 CO -0.15 0.71 0.00 1.28 0.09 0.00 0.00 178.83 180.76 1a19 n LEU 62 N -4.59 3.07 -0.73 0.06 7.99 0.55 -2.98 117.00 120.37 1a19 n LEU 62 Ca -0.06 -1.47 -0.02 0.00 -0.01 0.00 0.00 56.01 54.46 1a19 n LEU 62 Cb 0.35 -0.57 -0.02 0.00 -0.11 0.00 0.00 43.42 43.07 1a19 n LEU 62 CO 0.39 0.54 0.26 0.35 -1.51 0.00 0.00 177.39 177.42 1a19 n THR 63 N 0.90 0.00 -2.29 -5.08 -2.24 -1.22 -4.08 114.28 100.28 1a19 n THR 63 Ca 0.00 -0.09 -0.19 0.00 -2.27 0.00 0.00 64.05 61.50 1a19 n THR 63 Cb 0.41 0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.05 -1.76 -1.29 -0.78 1.02 -1.16 -0.71 120.64 116.00 1a19 n GLU 64 Ca -0.07 0.94 -0.10 0.00 -0.02 0.00 0.00 57.16 57.91 1a19 n GLU 64 Cb 0.65 -5.55 -0.04 0.00 -0.02 0.00 0.00 31.44 26.47 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 -1.85 -4.29 0.00 1.62 2.85 -0.36 -4.89 115.26 108.35 1a19 n ASN 65 Ca -0.22 0.25 0.15 0.00 -0.11 0.00 0.00 54.58 54.65 1a19 n ASN 65 Cb 0.66 -2.67 0.90 0.00 1.24 0.00 0.00 39.78 39.91 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 -1.65 -0.99 0.14 8.20 0.00 0.11 -3.23 105.19 107.77 1a19 n GLY 66 Ca -0.10 -0.19 0.06 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 3.94 0.70 -0.00 4.61 0.00 -1.80 -3.33 119.26 123.38 1a19 h ALA 67 Ca 0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1a19 h ALA 67 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1a19 h ALA 67 CO 0.00 0.43 -0.53 1.49 0.00 0.00 0.00 179.25 180.64 1a19 h GLU 68 N 0.00 0.01 -0.11 0.00 4.57 -1.90 -2.00 114.58 115.15 1a19 h GLU 68 Ca -0.04 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 57.99 1a19 h GLU 68 Cb 1.27 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.87 1a19 h GLU 68 CO 0.03 0.55 -0.48 0.66 -1.18 0.00 0.00 179.01 178.58 1a19 h SER 69 N 0.01 0.61 0.25 1.04 4.64 -1.78 -1.80 113.55 116.53 1a19 h SER 69 Ca -0.00 -0.63 0.01 0.00 -0.47 0.00 0.00 61.79 60.69 1a19 h SER 69 Cb 0.95 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.83 1a19 h SER 69 CO 0.07 1.15 -0.35 0.58 -0.87 0.00 0.00 176.83 177.41 1a19 h VAL 70 N 0.12 0.28 -0.72 0.95 2.07 -1.65 -1.32 116.25 115.98 1a19 h VAL 70 Ca -0.03 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.64 1a19 h VAL 70 Cb 1.13 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1a19 h VAL 70 CO 0.10 0.00 0.48 0.25 0.02 0.00 0.00 177.57 178.42 1a19 h LEU 71 N -0.66 0.33 -1.04 2.57 5.85 -1.37 0.16 115.31 121.14 1a19 h LEU 71 Ca -0.00 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1a19 h LEU 71 Cb 0.63 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1a19 h LEU 71 CO -0.12 0.17 -0.36 -0.61 -0.34 0.00 0.00 178.44 177.18 1a19 h GLN 72 N 0.35 0.00 -0.42 1.25 5.75 -0.45 0.95 115.11 122.55 1a19 h GLN 72 Ca 0.35 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.71 1a19 h GLN 72 Cb 0.86 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 1a19 h GLN 72 CO -0.10 0.36 -0.27 0.28 -2.65 0.00 0.00 178.83 176.45 1a19 h VAL 73 N 0.00 1.27 -0.44 2.39 2.07 0.39 0.14 116.25 122.07 1a19 h VAL 73 Ca -0.00 -1.44 -0.13 0.00 0.82 0.00 0.00 66.70 65.95 1a19 h VAL 73 Cb 0.83 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1a19 h VAL 73 CO 0.05 0.49 -0.25 -0.26 0.02 0.00 0.00 177.57 177.62 1a19 h PHE 74 N 0.75 1.09 0.00 1.57 0.04 -1.02 -0.33 116.94 119.05 1a19 h PHE 74 Ca 0.09 -0.28 -0.00 0.00 2.80 0.00 0.00 57.97 60.57 1a19 h PHE 74 Cb 0.85 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.75 1a19 h PHE 74 CO 0.06 1.10 -0.01 0.00 -0.60 0.00 0.00 178.31 178.85 1a19 h ARG 75 N 0.78 0.00 0.12 1.51 2.47 -0.54 -2.15 114.38 116.57 1a19 h ARG 75 Ca 0.09 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.54 1a19 h ARG 75 Cb 0.82 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.14 1a19 h ARG 75 CO 0.07 0.01 -1.36 0.93 0.56 0.00 0.00 179.97 180.18 1a19 h GLU 76 N 0.00 0.25 -0.34 0.04 4.39 -0.12 -3.05 114.58 115.74 1a19 h GLU 76 Ca -0.00 -0.43 0.04 0.00 0.34 0.00 0.00 59.36 59.32 1a19 h GLU 76 Cb 0.33 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 1a19 h GLU 76 CO 0.00 1.20 0.10 0.00 -1.16 0.00 0.00 179.01 179.16 1a19 h ALA 77 N -0.04 0.39 -0.50 3.43 0.00 -0.75 0.58 119.26 122.37 1a19 h ALA 77 Ca -0.29 0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.76 1a19 h ALA 77 Cb 1.75 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.51 1a19 h ALA 77 CO 0.07 -0.30 0.09 -0.22 0.00 0.00 0.00 179.25 178.89 1a19 h LYS 78 N 0.24 0.22 0.69 0.00 3.64 -1.54 0.24 116.57 120.06 1a19 h LYS 78 Ca 0.16 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1a19 h LYS 78 Cb 0.15 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1a19 h LYS 78 CO -0.18 0.15 -0.51 0.00 -2.27 0.00 0.00 179.45 176.64 1a19 h ALA 79 N 1.40 -1.24 -0.92 5.00 0.00 -1.08 -1.98 119.26 120.45 1a19 h ALA 79 Ca 0.25 -0.23 0.23 0.00 0.00 0.00 0.00 54.91 55.16 1a19 h ALA 79 Cb 0.34 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 1a19 h ALA 79 CO -0.34 -1.22 0.62 0.93 0.00 0.00 0.00 179.25 179.24 1a19 h GLU 80 N -1.14 0.29 0.00 0.00 3.07 -0.72 -3.45 114.58 112.62 1a19 h GLU 80 Ca -0.09 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1a19 h GLU 80 Cb 0.94 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1a19 h GLU 80 CO 0.04 0.19 0.00 0.41 -1.40 0.00 0.00 179.01 178.25 1a19 n GLY 81 N -1.56 1.15 2.87 -3.84 0.00 -0.37 -5.11 105.19 98.32 1a19 n GLY 81 Ca 0.20 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.59 -2.82 4.61 0.00 -0.07 -4.81 120.51 114.83 1a19 n ALA 82 Ca 0.00 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 1a19 n ALA 82 Cb 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.08 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 -0.83 6.87 -0.01 0.00 -1.08 -1.26 -4.22 116.67 116.13 1a19 s ASP 83 Ca 0.54 -2.51 0.08 0.00 -0.52 0.00 0.00 52.55 50.14 1a19 s ASP 83 Cb -0.79 -2.46 -0.02 0.00 -1.46 0.00 0.00 42.92 38.19 1a19 s ASP 83 CO 0.47 -0.99 -0.25 -0.63 0.52 0.00 0.00 175.17 174.29 1a19 s ILE 84 N 2.76 2.16 -0.09 4.11 1.01 -1.26 -1.89 121.20 128.00 1a19 s ILE 84 Ca 0.43 -1.13 0.04 0.00 0.00 0.00 0.00 60.65 60.00 1a19 s ILE 84 Cb -0.01 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.68 1a19 s ILE 84 CO -0.01 0.54 -0.23 -0.89 0.00 0.00 0.00 174.94 174.35 1a19 s THR 85 N -0.66 1.93 -0.25 2.92 2.01 0.41 -4.96 115.64 117.04 1a19 s THR 85 Ca 0.11 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1a19 s THR 85 Cb -0.10 -1.67 0.05 0.00 0.01 0.00 0.00 72.50 70.79 1a19 s THR 85 CO -0.00 0.53 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.73 1a19 s ILE 86 N 0.31 2.37 -0.35 1.82 1.01 -1.26 0.42 121.20 125.51 1a19 s ILE 86 Ca -0.16 -1.38 -0.12 0.00 0.00 0.00 0.00 60.65 58.99 1a19 s ILE 86 Cb -0.17 -2.29 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 1a19 s ILE 86 CO 0.08 0.10 0.22 -0.63 0.00 0.00 0.00 174.94 174.71 1a19 s ILE 87 N 1.19 4.98 -1.11 2.92 1.01 0.22 -4.99 121.20 125.43 1a19 s ILE 87 Ca -0.04 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 1a19 s ILE 87 Cb -0.18 -3.63 0.24 0.00 0.01 0.00 0.00 42.46 38.90 1a19 s ILE 87 CO -0.06 -0.08 1.17 -0.76 0.00 0.00 0.00 174.94 175.22 1a19 s LEU 88 N 1.66 5.96 0.00 2.97 1.02 -1.26 -0.65 118.68 128.37 1a19 s LEU 88 Ca 0.05 -3.27 0.26 0.00 0.02 0.00 0.00 54.13 51.18 1a19 s LEU 88 Cb -0.18 -2.27 0.52 0.00 0.02 0.00 0.00 46.19 44.27 1a19 s LEU 88 CO 0.09 -0.48 1.44 -1.54 0.02 0.00 0.00 176.35 175.88