#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lo3 s ASN 0 N 0.00 4.04 -1.27 6.43 2.47 -1.26 -5.05 114.94 120.30 3lo3 s ASN 0 Ca 0.00 -0.49 -0.12 0.00 0.42 0.00 0.00 52.86 52.68 3lo3 s ASN 0 Cb 0.00 -0.65 0.15 0.00 -1.45 0.00 0.00 41.25 39.31 3lo3 s ASN 0 CO 0.00 0.19 1.76 0.00 -3.72 0.00 0.00 177.10 175.32 3lo3 n ALA 1 N 0.87 4.81 -1.80 1.71 0.00 -1.26 -4.99 120.51 119.84 3lo3 n ALA 1 Ca -0.15 -4.24 -0.41 0.00 0.00 0.00 0.00 53.44 48.64 3lo3 n ALA 1 Cb 0.52 -3.08 -0.02 0.00 0.00 0.00 0.00 19.45 16.88 3lo3 n ALA 1 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3lo3 s THR 2 N 1.16 2.58 0.25 0.00 -4.23 -1.26 -4.24 115.64 109.91 3lo3 s THR 2 Ca 0.42 0.56 0.06 0.00 -1.18 0.00 0.00 61.69 61.55 3lo3 s THR 2 Cb 0.06 -3.36 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 3lo3 s THR 2 CO 0.00 0.12 0.30 0.00 -0.54 0.00 0.00 174.62 174.51 3lo3 s ALA 3 N -0.88 3.82 -0.01 3.99 0.00 -0.43 -4.82 121.76 123.43 3lo3 s ALA 3 Ca 0.52 -1.33 0.02 0.00 0.00 0.00 0.00 51.96 51.16 3lo3 s ALA 3 Cb -0.41 -1.54 -0.00 0.00 0.00 0.00 0.00 23.12 21.16 3lo3 s ALA 3 CO 0.53 0.22 -0.06 0.71 0.00 0.00 0.00 175.76 177.16 3lo3 s TYR 4 N -2.06 0.52 -0.26 0.00 2.02 0.36 -1.39 117.35 116.54 3lo3 s TYR 4 Ca 0.35 -0.10 -0.05 0.00 -0.37 0.00 0.00 57.07 56.90 3lo3 s TYR 4 Cb -0.08 -0.35 0.00 0.00 -0.40 0.00 0.00 41.96 41.13 3lo3 s TYR 4 CO 0.28 -0.02 0.01 0.42 -1.57 0.00 0.00 175.55 174.67 3lo3 s ILE 5 N -0.06 3.58 -0.25 2.71 1.01 0.13 -0.82 121.20 127.49 3lo3 s ILE 5 Ca 0.01 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 59.90 3lo3 s ILE 5 Cb -0.03 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 3lo3 s ILE 5 CO -0.00 0.24 0.17 -0.63 0.00 0.00 0.00 174.94 174.71 3lo3 s ILE 6 N 1.47 5.33 -0.07 2.92 1.01 0.06 0.12 121.20 132.04 3lo3 s ILE 6 Ca 0.03 0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.88 3lo3 s ILE 6 Cb -0.16 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 3lo3 s ILE 6 CO -0.01 0.31 -0.14 0.54 0.00 0.00 0.00 174.94 175.65 3lo3 s VAL 7 N 1.29 3.07 -0.16 2.92 0.11 0.22 -0.75 120.40 127.11 3lo3 s VAL 7 Ca 0.07 -0.71 -0.03 0.00 -2.93 0.00 0.00 61.98 58.39 3lo3 s VAL 7 Cb -0.14 -2.22 -0.02 0.00 -1.53 0.00 0.00 36.38 32.46 3lo3 s VAL 7 CO 0.07 0.58 -0.06 -0.83 -3.33 0.00 0.00 175.10 171.52 3lo3 s GLY 8 N -0.50 1.65 0.04 6.54 0.00 -0.57 -1.25 107.32 113.23 3lo3 s GLY 8 Ca 0.07 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.91 3lo3 s GLY 8 CO 0.02 -0.04 -0.05 0.48 0.00 0.00 0.00 173.10 173.50 3lo3 s LEU 9 N 0.50 2.30 -0.18 0.66 0.05 0.38 -1.11 118.68 121.29 3lo3 s LEU 9 Ca -0.05 -0.63 -0.04 0.00 0.05 0.00 0.00 54.13 53.46 3lo3 s LEU 9 Cb -0.15 -0.02 0.06 0.00 -2.05 0.00 0.00 46.19 44.03 3lo3 s LEU 9 CO 0.03 -0.31 0.06 -0.89 -0.55 0.00 0.00 176.35 174.69 3lo3 s THR 10 N -1.92 0.26 0.16 5.48 2.01 -0.22 -1.58 115.64 119.83 3lo3 s THR 10 Ca -0.08 -0.36 -0.34 0.00 0.31 0.00 0.00 61.69 61.22 3lo3 s THR 10 Cb -0.06 -0.82 -0.15 0.00 0.01 0.00 0.00 72.50 71.48 3lo3 s THR 10 CO -0.02 -0.21 1.39 -2.65 -0.69 0.00 0.00 174.62 172.44 3lo3 n PRO 11 N 5.15 1.67 0.00 4.92 -0.02 -1.26 -1.78 135.00 143.67 3lo3 n PRO 11 Ca -0.08 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3lo3 n PRO 11 Cb 0.48 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3lo3 n PRO 11 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3lo3 n LYS 12 N 2.51 0.00 -3.07 -0.52 5.02 0.50 -4.85 118.16 117.76 3lo3 n LYS 12 Ca 0.16 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.02 3lo3 n LYS 12 Cb 0.26 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.21 3lo3 n LYS 12 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3lo3 s ASP 13 N -0.10 6.41 0.36 4.39 -1.08 -1.07 -4.96 116.67 120.63 3lo3 s ASP 13 Ca 0.00 0.01 0.03 0.00 -0.52 0.00 0.00 52.55 52.07 3lo3 s ASP 13 Cb 0.00 -2.34 0.67 0.00 -1.46 0.00 0.00 42.92 39.78 3lo3 s ASP 13 CO 0.00 -0.71 2.01 0.00 0.52 0.00 0.00 175.17 176.98 3lo3 h ALA 14 N 8.66 1.58 0.58 3.66 0.00 -1.93 0.44 119.26 132.26 3lo3 h ALA 14 Ca -0.26 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3lo3 h ALA 14 Cb 1.10 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.65 3lo3 h ALA 14 CO 0.88 0.37 -0.28 1.49 0.00 0.00 0.00 179.25 181.71 3lo3 h GLU 15 N 0.83 -0.75 -1.02 0.00 4.81 -1.95 -1.67 114.58 114.83 3lo3 h GLU 15 Ca 0.24 0.05 0.27 0.00 -0.13 0.00 0.00 59.36 59.79 3lo3 h GLU 15 Cb -0.04 0.17 -0.12 0.00 0.63 0.00 0.00 28.75 29.39 3lo3 h GLU 15 CO -0.06 -0.45 0.61 0.87 -0.73 0.00 0.00 179.01 179.25 3lo3 h LYS 16 N -1.09 0.47 -0.14 1.92 1.79 -1.85 0.27 116.57 117.93 3lo3 h LYS 16 Ca -0.08 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.28 3lo3 h LYS 16 Cb 0.65 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 3lo3 h LYS 16 CO 0.13 0.31 -0.27 1.25 -1.08 0.00 0.00 179.45 179.79 3lo3 h LEU 17 N 0.48 0.26 -0.02 2.94 6.46 -0.73 -0.73 115.31 123.97 3lo3 h LEU 17 Ca 0.66 -0.08 -0.23 0.00 -0.12 0.00 0.00 57.88 58.11 3lo3 h LEU 17 Cb 1.41 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.26 3lo3 h LEU 17 CO -0.47 0.53 -1.07 -0.61 -0.62 0.00 0.00 178.44 176.20 3lo3 h GLN 18 N 0.23 0.15 -0.02 1.25 4.15 0.42 -1.44 115.11 119.85 3lo3 h GLN 18 Ca 0.04 -0.23 -0.16 0.00 0.77 0.00 0.00 58.65 59.06 3lo3 h GLN 18 Cb 0.61 0.08 0.01 0.00 0.21 0.00 0.00 27.48 28.39 3lo3 h GLN 18 CO 0.04 1.08 -0.63 1.96 -1.93 0.00 0.00 178.83 179.35 3lo3 h GLN 19 N 0.05 0.46 0.39 1.69 4.20 -0.76 -2.04 115.11 119.12 3lo3 h GLN 19 Ca -0.07 -0.47 -0.01 0.00 0.06 0.00 0.00 58.65 58.16 3lo3 h GLN 19 Cb 1.79 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 29.68 3lo3 h GLN 19 CO 0.16 1.12 -0.32 -0.92 -0.67 0.00 0.00 178.83 178.20 3lo3 h TYR 20 N -0.00 -0.85 -0.24 2.96 3.20 -1.17 -2.81 116.97 118.06 3lo3 h TYR 20 Ca -0.07 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.87 3lo3 h TYR 20 Cb 1.32 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.90 3lo3 h TYR 20 CO 0.13 -0.47 0.22 0.78 -1.64 0.00 0.00 178.16 177.19 3lo3 h GLY 21 N -0.71 0.00 2.00 1.82 0.00 -1.26 0.90 103.07 105.82 3lo3 h GLY 21 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3lo3 h GLY 21 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.53 3lo3 n ALA 22 N -2.43 2.22 0.41 3.60 0.00 -0.77 -3.94 120.51 119.60 3lo3 n ALA 22 Ca 0.03 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.45 3lo3 n ALA 22 Cb 0.36 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 3lo3 n ALA 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3lo3 n ARG 23 N -1.78 3.40 -0.02 0.00 1.74 0.30 -4.66 116.66 115.65 3lo3 n ARG 23 Ca 0.06 -0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 57.00 3lo3 n ARG 23 Cb 0.35 -0.99 -0.09 0.00 -1.02 0.00 0.00 32.46 30.70 3lo3 n ARG 23 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3lo3 h VAL 24 N 0.00 1.36 -0.96 1.55 2.07 -1.65 -3.29 116.25 115.33 3lo3 h VAL 24 Ca 0.00 -1.09 0.16 0.00 0.82 0.00 0.00 66.70 66.58 3lo3 h VAL 24 Cb 0.25 2.07 -0.16 0.00 -1.52 0.00 0.00 31.29 31.94 3lo3 h VAL 24 CO 0.00 0.29 -0.35 0.00 0.02 0.00 0.00 177.57 177.53 3lo3 n ALA 25 N -2.34 -0.05 -0.07 1.67 0.00 -1.26 0.50 120.51 118.96 3lo3 n ALA 25 Ca -0.08 0.98 -0.03 0.00 0.00 0.00 0.00 53.44 54.31 3lo3 n ALA 25 Cb 0.25 -0.47 0.21 0.00 0.00 0.00 0.00 19.45 19.44 3lo3 n ALA 25 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3lo3 h SER 26 N 0.00 0.66 0.44 0.00 4.64 -1.88 -0.54 113.55 116.87 3lo3 h SER 26 Ca 0.36 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3lo3 h SER 26 Cb 0.60 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3lo3 h SER 26 CO -0.96 0.73 0.00 0.71 -0.87 0.00 0.00 176.83 176.44 3lo3 h THR 27 N 0.65 0.00 0.13 2.95 1.35 -0.02 -3.10 112.91 114.88 3lo3 h THR 27 Ca 0.13 -0.16 -0.35 0.00 -0.55 0.00 0.00 66.41 65.49 3lo3 h THR 27 Cb 0.41 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 3lo3 h THR 27 CO 0.02 0.00 -1.86 -0.07 -0.25 0.00 0.00 175.52 173.35 3lo3 h LEU 28 N 0.00 0.44 -1.44 3.87 3.38 -0.52 -3.39 115.31 117.64 3lo3 h LEU 28 Ca 0.00 -0.84 0.18 0.00 0.09 0.00 0.00 57.88 57.31 3lo3 h LEU 28 Cb 0.22 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 3lo3 h LEU 28 CO 0.00 1.73 0.58 0.00 0.09 0.00 0.00 178.44 180.84 3lo3 h ALA 29 N 0.20 2.07 0.00 1.53 0.00 -1.42 0.11 119.26 121.75 3lo3 h ALA 29 Ca -0.37 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3lo3 h ALA 29 Cb 2.05 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 3lo3 h ALA 29 CO 0.12 -0.34 -0.07 0.87 0.00 0.00 0.00 179.25 179.84 3lo3 h LYS 30 N 0.50 0.00 -0.33 0.00 1.57 -1.76 -2.34 116.57 114.21 3lo3 h LYS 30 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3lo3 h LYS 30 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 3lo3 h LYS 30 CO -0.19 0.07 0.00 0.66 -0.57 0.00 0.00 179.45 179.42 3lo3 n TYR 31 N -3.23 0.53 -2.08 -1.35 4.01 0.30 -4.95 117.16 110.40 3lo3 n TYR 31 Ca -0.00 -0.56 -0.19 0.00 -0.16 0.00 0.00 57.90 56.99 3lo3 n TYR 31 Cb 0.31 -0.07 -0.04 0.00 -0.31 0.00 0.00 39.34 39.23 3lo3 n TYR 31 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3lo3 n SER 32 N 0.34 -5.38 -4.60 7.72 7.64 -0.86 -4.64 113.62 113.84 3lo3 n SER 32 Ca 0.13 0.20 -0.33 0.00 1.01 0.00 0.00 58.87 59.88 3lo3 n SER 32 Cb 0.49 -4.60 0.13 0.00 -1.01 0.00 0.00 64.21 59.23 3lo3 n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3lo3 n GLY 33 N -0.74 -0.70 3.64 0.23 0.00 -0.68 -4.55 105.19 102.39 3lo3 n GLY 33 Ca -0.22 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 3lo3 n GLY 33 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3lo3 s GLU 34 N -4.02 0.62 -0.37 1.61 2.12 -0.68 -4.67 118.70 113.30 3lo3 s GLU 34 Ca 0.67 0.87 -0.26 0.00 0.36 0.00 0.00 54.97 56.61 3lo3 s GLU 34 Cb -0.26 0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.37 3lo3 s GLU 34 CO 0.57 -0.10 0.92 0.08 -0.54 0.00 0.00 175.26 176.19 3lo3 s VAL 35 N 0.82 4.59 0.03 3.70 1.01 -1.26 -0.64 120.40 128.65 3lo3 s VAL 35 Ca -0.03 1.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.93 3lo3 s VAL 35 Cb -0.05 -4.33 -0.33 0.00 0.00 0.00 0.00 36.38 31.67 3lo3 s VAL 35 CO -0.09 -0.55 1.03 0.25 0.00 0.00 0.00 175.10 175.73 3lo3 h LEU 36 N 10.08 0.83 -7.34 3.92 5.85 -0.78 -3.48 115.31 124.40 3lo3 h LEU 36 Ca -0.23 -0.89 0.07 0.00 0.84 0.00 0.00 57.88 57.67 3lo3 h LEU 36 Cb 1.08 -0.27 -0.11 0.00 0.37 0.00 0.00 40.66 41.74 3lo3 h LEU 36 CO 0.98 1.65 0.34 0.54 -0.34 0.00 0.00 178.44 181.61 3lo3 s VAL 37 N -2.72 0.00 -0.19 1.05 0.11 -1.22 -4.98 120.40 112.44 3lo3 s VAL 37 Ca -0.10 -0.34 -0.17 0.00 -2.93 0.00 0.00 61.98 58.44 3lo3 s VAL 37 Cb 0.04 -1.40 0.05 0.00 -1.53 0.00 0.00 36.38 33.54 3lo3 s VAL 37 CO 0.93 0.00 0.51 -1.59 -3.33 0.00 0.00 175.10 171.63 3lo3 s LYS 38 N -3.54 0.59 0.00 1.54 -2.85 -1.26 -1.28 119.74 112.94 3lo3 s LYS 38 Ca 0.06 0.73 0.00 0.00 -1.00 0.00 0.00 55.97 55.76 3lo3 s LYS 38 Cb -0.02 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 3lo3 s LYS 38 CO -0.05 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.73 3lo3 n GLY 39 N 2.92 0.89 3.89 0.59 0.00 -1.01 -5.03 105.19 107.44 3lo3 n GLY 39 Ca -0.14 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 3lo3 n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3lo3 s SER 40 N 0.00 6.36 -0.09 1.61 1.04 -1.26 -1.53 113.70 119.83 3lo3 s SER 40 Ca 0.00 1.01 -0.15 0.00 0.48 0.00 0.00 55.95 57.28 3lo3 s SER 40 Cb 0.00 -2.28 -0.05 0.00 0.10 0.00 0.00 66.02 63.79 3lo3 s SER 40 CO 0.00 -0.51 0.39 -0.69 0.98 0.00 0.00 173.24 173.41 3lo3 s VAL 41 N -2.60 5.18 -0.27 5.02 1.01 0.23 -4.90 120.40 124.07 3lo3 s VAL 41 Ca 0.49 0.77 -0.07 0.00 0.00 0.00 0.00 61.98 63.17 3lo3 s VAL 41 Cb -0.10 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 3lo3 s VAL 41 CO 0.40 0.45 0.07 -0.70 0.00 0.00 0.00 175.10 175.31 3lo3 s GLU 42 N -0.09 3.40 -0.01 2.72 2.12 -1.26 -4.99 118.70 120.58 3lo3 s GLU 42 Ca 0.22 -0.65 -0.30 0.00 0.36 0.00 0.00 54.97 54.60 3lo3 s GLU 42 Cb -0.15 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 3lo3 s GLU 42 CO 0.09 -0.30 1.32 -1.14 -0.54 0.00 0.00 175.26 174.69 3lo3 s GLN 43 N 1.56 4.32 -0.03 4.30 2.00 -1.26 -4.89 119.66 125.66 3lo3 s GLN 43 Ca 0.05 1.85 0.21 0.00 -2.00 0.00 0.00 55.36 55.47 3lo3 s GLN 43 Cb -0.16 -3.55 -0.32 0.00 0.80 0.00 0.00 33.01 29.79 3lo3 s GLN 43 CO 0.03 -0.51 0.49 1.28 -0.50 0.00 0.00 175.29 176.07 3lo3 n LEU 44 N 5.19 0.06 -3.59 3.68 4.77 -1.26 -5.01 117.00 120.84 3lo3 n LEU 44 Ca 0.12 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 3lo3 n LEU 44 Cb 0.45 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 3lo3 n LEU 44 CO 0.57 0.02 0.80 -2.28 -1.33 0.00 0.00 177.39 175.16 3lo3 s HIS 45 N -3.42 -0.37 0.00 -1.77 5.04 -1.26 -5.15 115.29 108.36 3lo3 s HIS 45 Ca -0.07 0.70 0.00 0.00 -1.54 0.00 0.00 55.06 54.15 3lo3 s HIS 45 Cb 0.14 0.44 0.00 0.00 0.04 0.00 0.00 32.58 33.19 3lo3 s HIS 45 CO 0.87 -0.30 0.00 0.41 -2.34 0.00 0.00 174.74 173.38 3lo3 n GLY 46 N 1.03 -0.17 3.40 1.59 0.00 -1.26 -4.88 105.19 104.89 3lo3 n GLY 46 Ca -0.10 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.67 3lo3 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lo3 s LYS 47 N 0.00 1.45 -0.04 1.61 1.02 -1.26 -5.04 119.74 117.49 3lo3 s LYS 47 Ca 0.00 -1.52 -0.02 0.00 0.02 0.00 0.00 55.97 54.44 3lo3 s LYS 47 Cb 0.00 -1.63 0.02 0.00 -0.52 0.00 0.00 37.83 35.70 3lo3 s LYS 47 CO 0.00 0.34 0.09 0.12 -0.92 0.00 0.00 175.35 174.98 3lo3 s PHE 48 N -1.97 -0.09 0.16 3.18 5.36 -1.26 -5.06 117.98 118.31 3lo3 s PHE 48 Ca 0.20 0.27 0.13 0.00 -0.96 0.00 0.00 56.93 56.58 3lo3 s PHE 48 Cb -0.06 -0.04 0.36 0.00 -0.34 0.00 0.00 43.02 42.93 3lo3 s PHE 48 CO 0.09 -0.08 1.59 0.93 -1.46 0.00 0.00 175.22 176.29 3lo3 h GLU 49 N 6.54 0.00 -6.18 10.12 3.07 -2.01 -3.47 114.58 122.65 3lo3 h GLU 49 Ca -0.33 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.03 3lo3 h GLU 49 Cb 1.17 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.04 3lo3 h GLU 49 CO 0.45 0.57 -0.47 -1.01 -1.40 0.00 0.00 179.01 177.16 3lo3 s HIS 50 N -3.41 2.87 -0.12 4.33 3.76 -1.26 -4.99 115.29 116.48 3lo3 s HIS 50 Ca 0.00 -0.31 0.19 0.00 -0.15 0.00 0.00 55.06 54.79 3lo3 s HIS 50 Cb 0.11 -1.75 -0.25 0.00 1.11 0.00 0.00 32.58 31.80 3lo3 s HIS 50 CO 0.74 0.22 0.42 1.63 -0.85 0.00 0.00 174.74 176.91 3lo3 n LYS 51 N -1.32 0.66 -4.03 1.40 5.02 -0.62 -4.86 118.16 114.41 3lo3 n LYS 51 Ca -0.02 -0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.17 3lo3 n LYS 51 Cb 0.60 -1.60 -0.09 0.00 -0.02 0.00 0.00 35.03 33.92 3lo3 n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3lo3 s ALA 52 N -2.98 0.33 0.04 7.82 0.00 -0.75 -0.60 121.76 125.62 3lo3 s ALA 52 Ca -0.07 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.84 3lo3 s ALA 52 Cb 0.10 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 3lo3 s ALA 52 CO 0.85 -0.43 -0.07 -0.65 0.00 0.00 0.00 175.76 175.46 3lo3 s GLN 53 N -3.92 0.49 0.03 0.00 -0.21 -0.58 -0.47 119.66 115.00 3lo3 s GLN 53 Ca 0.09 -0.71 0.05 0.00 0.02 0.00 0.00 55.36 54.80 3lo3 s GLN 53 Cb 0.07 -0.24 -0.02 0.00 1.00 0.00 0.00 33.01 33.82 3lo3 s GLN 53 CO -0.08 0.04 -0.14 0.08 -2.12 0.00 0.00 175.29 173.06 3lo3 s VAL 54 N -1.34 1.10 -0.21 1.09 1.01 -0.38 -2.41 120.40 119.25 3lo3 s VAL 54 Ca -0.10 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 60.94 3lo3 s VAL 54 Cb -0.10 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.32 3lo3 s VAL 54 CO 0.00 0.05 -0.13 -0.63 0.00 0.00 0.00 175.10 174.39 3lo3 s ILE 55 N -0.77 2.51 -0.12 2.22 1.01 -0.40 -0.61 121.20 125.04 3lo3 s ILE 55 Ca 0.02 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 3lo3 s ILE 55 Cb -0.07 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 3lo3 s ILE 55 CO 0.01 0.40 0.12 -0.76 0.00 0.00 0.00 174.94 174.71 3lo3 s LEU 56 N 1.32 4.26 -0.05 2.97 1.02 0.12 -0.00 118.68 128.32 3lo3 s LEU 56 Ca 0.03 0.41 0.05 0.00 0.02 0.00 0.00 54.13 54.64 3lo3 s LEU 56 Cb -0.15 -2.03 -0.01 0.00 0.02 0.00 0.00 46.19 44.02 3lo3 s LEU 56 CO -0.09 0.39 -0.22 -0.70 0.02 0.00 0.00 176.35 175.76 3lo3 s GLU 57 N -0.93 2.26 0.17 1.70 2.12 0.19 -0.70 118.70 123.52 3lo3 s GLU 57 Ca 0.14 -0.79 0.01 0.00 0.36 0.00 0.00 54.97 54.69 3lo3 s GLU 57 Cb -0.12 -1.93 -0.04 0.00 0.26 0.00 0.00 34.13 32.29 3lo3 s GLU 57 CO 0.03 0.33 0.03 -0.06 -0.54 0.00 0.00 175.26 175.06 3lo3 s PHE 58 N -0.08 1.15 -1.19 5.30 0.08 -0.48 -1.68 117.98 121.08 3lo3 s PHE 58 Ca -0.04 -1.11 0.29 0.00 0.12 0.00 0.00 56.93 56.19 3lo3 s PHE 58 Cb -0.13 -0.65 1.32 0.00 -0.57 0.00 0.00 43.02 42.98 3lo3 s PHE 58 CO 0.03 -0.33 1.95 -0.35 -0.10 0.00 0.00 175.22 176.43 3lo3 n PRO 59 N -0.23 0.19 -3.50 0.24 -0.05 -1.26 -1.32 135.00 129.06 3lo3 n PRO 59 Ca -0.05 -0.01 -0.16 0.00 -0.05 0.00 0.00 63.50 63.23 3lo3 n PRO 59 Cb 0.64 -1.50 -0.05 0.00 -0.05 0.00 0.00 33.50 32.54 3lo3 n PRO 59 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 175.50 173.91 3lo3 s SER 60 N -2.82 -0.60 0.48 3.54 1.04 -1.26 -4.24 113.70 109.83 3lo3 s SER 60 Ca 0.20 0.46 0.13 0.00 0.48 0.00 0.00 55.95 57.21 3lo3 s SER 60 Cb 0.19 0.55 1.12 0.00 0.10 0.00 0.00 66.02 67.98 3lo3 s SER 60 CO 0.51 -0.72 2.12 -0.09 0.98 0.00 0.00 173.24 176.04 3lo3 h ARG 61 N 2.72 0.20 -0.18 4.02 2.43 -1.85 -1.94 114.38 119.78 3lo3 h ARG 61 Ca -0.29 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.83 3lo3 h ARG 61 Cb 1.19 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 3lo3 h ARG 61 CO 0.39 0.13 -0.01 0.93 -1.51 0.00 0.00 179.97 179.91 3lo3 h GLU 62 N 0.21 0.32 -0.37 0.20 3.07 -1.96 -1.58 114.58 114.46 3lo3 h GLU 62 Ca 0.06 -0.11 0.07 0.00 -0.50 0.00 0.00 59.36 58.88 3lo3 h GLU 62 Cb -0.02 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 27.80 3lo3 h GLU 62 CO -0.01 0.55 -0.03 -0.44 -1.40 0.00 0.00 179.01 177.67 3lo3 h ASP 63 N 0.06 -0.22 -0.40 1.42 3.32 -1.73 0.84 116.42 119.71 3lo3 h ASP 63 Ca 0.05 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3lo3 h ASP 63 Cb 0.41 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3lo3 h ASP 63 CO 0.01 -0.07 0.19 0.00 -1.72 0.00 0.00 179.24 177.65 3lo3 h ALA 64 N 1.34 0.52 -0.59 3.45 0.00 -1.38 -0.04 119.26 122.57 3lo3 h ALA 64 Ca 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3lo3 h ALA 64 Cb 0.26 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3lo3 h ALA 64 CO -0.33 0.08 0.31 -0.92 0.00 0.00 0.00 179.25 178.39 3lo3 h TYR 65 N 0.51 0.82 0.00 0.00 3.20 -0.80 -1.85 116.97 118.85 3lo3 h TYR 65 Ca 0.14 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.86 3lo3 h TYR 65 Cb 0.12 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 3lo3 h TYR 65 CO -0.01 0.60 -0.60 -0.91 -1.64 0.00 0.00 178.16 175.60 3lo3 h ASN 66 N 0.79 0.00 0.22 -2.11 2.35 -0.69 -2.68 115.58 113.46 3lo3 h ASN 66 Ca 0.20 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3lo3 h ASN 66 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3lo3 h ASN 66 CO -0.03 0.60 -0.10 -0.25 -1.65 0.00 0.00 177.43 175.99 3lo3 h TRP 67 N 0.00 -0.27 -0.08 1.19 7.01 -0.62 0.34 115.95 123.52 3lo3 h TRP 67 Ca -0.01 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.01 3lo3 h TRP 67 Cb 1.10 0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 28.25 3lo3 h TRP 67 CO 0.00 -0.17 0.09 -0.92 -2.79 0.00 0.00 178.44 174.66 3lo3 h TYR 68 N -0.29 0.00 -0.04 2.65 3.20 -1.08 -2.16 116.97 119.25 3lo3 h TYR 68 Ca -0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3lo3 h TYR 68 Cb 0.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3lo3 h TYR 68 CO -0.06 0.00 0.00 0.72 -1.64 0.00 0.00 178.16 177.18 3lo3 n HIS 69 N -3.82 0.03 -1.66 -3.82 8.25 -0.99 -4.52 115.22 108.69 3lo3 n HIS 69 Ca -0.01 -0.03 -0.41 0.00 -0.26 0.00 0.00 57.72 57.01 3lo3 n HIS 69 Cb 0.19 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.31 3lo3 n HIS 69 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3lo3 n SER 70 N 0.74 2.01 -0.29 0.41 3.41 0.12 -4.79 113.62 115.22 3lo3 n SER 70 Ca 0.08 1.08 0.11 0.00 -0.26 0.00 0.00 58.87 59.88 3lo3 n SER 70 Cb 0.34 -1.44 0.27 0.00 -0.26 0.00 0.00 64.21 63.12 3lo3 n SER 70 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3lo3 h GLU 71 N 1.85 0.39 0.83 4.33 4.39 -1.89 -1.24 114.58 123.24 3lo3 h GLU 71 Ca -0.46 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.18 3lo3 h GLU 71 Cb 1.31 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3lo3 h GLU 71 CO 0.59 0.26 -0.48 1.05 -1.16 0.00 0.00 179.01 179.26 3lo3 h GLU 72 N 0.40 -1.18 -0.49 2.33 9.09 -1.93 -2.40 114.58 120.41 3lo3 h GLU 72 Ca 0.52 0.08 -0.04 0.00 0.05 0.00 0.00 59.36 59.97 3lo3 h GLU 72 Cb 0.93 0.27 -0.02 0.00 -1.65 0.00 0.00 28.75 28.28 3lo3 h GLU 72 CO -0.50 -0.78 0.17 -0.92 0.05 0.00 0.00 179.01 177.02 3lo3 h TYR 73 N -1.22 0.77 -0.67 2.06 3.20 -1.76 -2.51 116.97 116.85 3lo3 h TYR 73 Ca -0.11 -0.07 0.13 0.00 3.14 0.00 0.00 58.73 61.82 3lo3 h TYR 73 Cb 0.97 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.97 3lo3 h TYR 73 CO -0.08 0.67 0.45 1.96 -1.64 0.00 0.00 178.16 179.51 3lo3 h GLN 74 N 0.65 0.33 -0.17 1.82 1.08 -1.13 0.48 115.11 118.17 3lo3 h GLN 74 Ca 0.16 -0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.39 3lo3 h GLN 74 Cb 0.25 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 3lo3 h GLN 74 CO -0.01 0.22 0.19 0.00 -0.95 0.00 0.00 178.83 178.28 3lo3 h ALA 75 N 1.68 1.80 -0.00 3.87 0.00 -0.96 -2.40 119.26 123.25 3lo3 h ALA 75 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3lo3 h ALA 75 Cb 0.78 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3lo3 h ALA 75 CO -0.08 -0.28 -0.16 1.28 0.00 0.00 0.00 179.25 180.01 3lo3 n LEU 76 N -3.82 0.53 -0.02 0.00 4.77 0.17 -4.46 117.00 114.17 3lo3 n LEU 76 Ca 0.01 -0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.82 3lo3 n LEU 76 Cb 0.31 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 3lo3 n LEU 76 CO 0.28 0.10 0.29 0.40 -1.33 0.00 0.00 177.39 177.13 3lo3 h ILE 77 N 0.58 1.31 -0.56 -0.08 2.04 -1.48 0.39 117.51 119.71 3lo3 h ILE 77 Ca 0.00 -1.93 0.00 0.00 1.00 0.00 0.00 64.86 63.93 3lo3 h ILE 77 Cb 0.40 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 3lo3 h ILE 77 CO 0.00 0.60 0.35 0.77 0.00 0.00 0.00 178.15 179.87 3lo3 h SER 78 N 0.39 0.65 -0.09 1.72 4.64 -1.80 0.34 113.55 119.41 3lo3 h SER 78 Ca -0.05 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 3lo3 h SER 78 Cb 1.33 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3lo3 h SER 78 CO 0.14 0.49 -0.09 0.74 -0.87 0.00 0.00 176.83 177.25 3lo3 h THR 79 N 0.76 1.37 -0.71 2.95 2.02 -1.77 -3.15 112.91 114.38 3lo3 h THR 79 Ca 0.20 -1.25 0.10 0.00 0.77 0.00 0.00 66.41 66.23 3lo3 h THR 79 Cb -0.05 2.00 -0.07 0.00 -1.74 0.00 0.00 68.15 68.29 3lo3 h THR 79 CO -0.04 0.35 0.35 -0.09 0.37 0.00 0.00 175.52 176.46 3lo3 h ARG 80 N -0.21 0.56 0.00 6.66 2.43 0.21 -1.31 114.38 122.72 3lo3 h ARG 80 Ca 0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3lo3 h ARG 80 Cb 0.60 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3lo3 h ARG 80 CO 0.02 0.37 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.37 3lo3 h ASP 81 N 0.58 0.00 0.09 -3.80 3.45 -0.99 -2.16 116.42 113.59 3lo3 h ASP 81 Ca 0.35 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.81 3lo3 h ASP 81 Cb 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.16 3lo3 h ASP 81 CO -0.28 0.04 -0.04 -0.07 -1.57 0.00 0.00 179.24 177.32 3lo3 h LEU 82 N 0.00 -0.10 -1.71 1.55 3.38 -1.45 -3.43 115.31 113.54 3lo3 h LEU 82 Ca -0.00 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.54 3lo3 h LEU 82 Cb 0.86 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3lo3 h LEU 82 CO 0.01 0.54 0.50 1.23 0.09 0.00 0.00 178.44 180.80 3lo3 h GLY 83 N -0.85 0.00 -5.18 0.83 0.00 -0.55 -3.17 103.07 94.15 3lo3 h GLY 83 Ca -0.01 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.64 3lo3 h GLY 83 CO 0.02 0.00 -0.76 0.99 0.00 0.00 0.00 176.54 176.79 3lo3 s ASP 85 N -4.48 4.05 0.30 0.19 1.01 -0.74 -0.37 116.67 116.65 3lo3 s ASP 85 Ca -0.03 -0.23 -0.07 0.00 0.71 0.00 0.00 52.55 52.92 3lo3 s ASP 85 Cb 0.10 -1.14 0.00 0.00 1.01 0.00 0.00 42.92 42.89 3lo3 s ASP 85 CO 0.34 0.28 0.48 -0.94 0.21 0.00 0.00 175.17 175.55 3lo3 s SER 86 N -0.34 0.42 -0.03 0.27 1.04 -1.26 -1.06 113.70 112.75 3lo3 s SER 86 Ca 0.03 -1.25 0.01 0.00 0.48 0.00 0.00 55.95 55.22 3lo3 s SER 86 Cb -0.13 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.66 3lo3 s SER 86 CO 0.02 -1.25 -0.00 0.00 0.98 0.00 0.00 173.24 172.99 3lo3 s GLN 87 N -3.40 0.33 -0.20 4.02 -2.07 -0.27 -4.97 119.66 113.10 3lo3 s GLN 87 Ca 0.27 0.05 -0.03 0.00 -1.82 0.00 0.00 55.36 53.83 3lo3 s GLN 87 Cb -0.00 -0.48 -0.01 0.00 -1.09 0.00 0.00 33.01 31.42 3lo3 s GLN 87 CO 0.15 -0.12 -0.08 -0.06 -1.32 0.00 0.00 175.29 173.86 3lo3 s PHE 88 N 0.94 2.91 -0.16 9.60 0.08 -1.26 -1.51 117.98 128.58 3lo3 s PHE 88 Ca -0.10 -0.96 -0.02 0.00 0.12 0.00 0.00 56.93 55.97 3lo3 s PHE 88 Cb -0.13 -2.04 -0.02 0.00 -0.57 0.00 0.00 43.02 40.27 3lo3 s PHE 88 CO -0.01 -0.51 -0.08 -0.65 -0.10 0.00 0.00 175.22 173.86 3lo3 s GLN 89 N 1.24 3.47 -0.21 0.44 1.11 0.07 -4.96 119.66 120.83 3lo3 s GLN 89 Ca 0.03 -0.62 -0.13 0.00 0.01 0.00 0.00 55.36 54.64 3lo3 s GLN 89 Cb -0.14 -2.81 -0.04 0.00 -1.01 0.00 0.00 33.01 29.00 3lo3 s GLN 89 CO -0.03 0.12 0.28 -1.17 0.01 0.00 0.00 175.29 174.51 3lo3 s LEU 90 N 0.63 4.16 0.05 2.90 0.20 -1.26 -0.76 118.68 124.60 3lo3 s LEU 90 Ca -0.05 0.36 0.02 0.00 0.69 0.00 0.00 54.13 55.16 3lo3 s LEU 90 Cb -0.15 -2.33 -0.03 0.00 -0.43 0.00 0.00 46.19 43.26 3lo3 s LEU 90 CO 0.03 0.02 -0.08 0.27 -0.29 0.00 0.00 176.35 176.29 3lo3 s ILE 91 N 1.03 0.61 0.00 6.68 -4.36 -0.00 -5.02 121.20 120.14 3lo3 s ILE 91 Ca 0.14 -1.17 0.00 0.00 -0.26 0.00 0.00 60.65 59.36 3lo3 s ILE 91 Cb -0.14 -0.74 0.00 0.00 1.25 0.00 0.00 42.46 42.83 3lo3 s ILE 91 CO 0.05 -0.41 0.00 0.61 0.24 0.00 0.00 174.94 175.44