#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 5.00 -0.93 6.43 4.22 -1.26 -5.07 114.94 123.34 3lo3 s ASN 0 Ca 0.00 -0.78 -0.15 0.00 -2.14 0.00 0.00 52.86 49.79 3lo3 s ASN 0 Cb 0.00 -0.51 0.19 0.00 1.28 0.00 0.00 41.25 42.21 3lo3 s ASN 0 CO 0.00 -0.68 0.99 0.00 -2.04 0.00 0.00 177.10 175.37 3lo3 s ALA 1 N -2.49 3.93 0.23 3.54 0.00 -1.26 -5.02 121.76 120.69 3lo3 s ALA 1 Ca 0.47 -3.22 -0.32 0.00 0.00 0.00 0.00 51.96 48.90 3lo3 s ALA 1 Cb -0.03 -3.75 -0.12 0.00 0.00 0.00 0.00 23.12 19.22 3lo3 s ALA 1 CO 0.28 -2.54 1.67 2.41 0.00 0.00 0.00 175.76 177.58 3lo3 n THR 2 N 4.35 0.28 -4.17 0.00 -1.04 -1.26 -3.95 114.28 108.49 3lo3 n THR 2 Ca 0.20 -0.07 -0.23 0.00 -2.04 0.00 0.00 64.05 61.92 3lo3 n THR 2 Cb 0.46 -1.93 -0.05 0.00 -1.82 0.00 0.00 70.33 66.99 3lo3 n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lo3 s ALA 3 N 0.82 3.44 0.01 2.41 0.00 -0.66 -4.87 121.76 122.91 3lo3 s ALA 3 Ca 0.72 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 51.22 3lo3 s ALA 3 Cb -0.52 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 3lo3 s ALA 3 CO 0.37 0.29 -0.03 0.71 0.00 0.00 0.00 175.76 177.10 3lo3 s TYR 4 N -2.14 0.27 -0.11 0.00 2.02 0.46 -1.31 117.35 116.55 3lo3 s TYR 4 Ca 0.32 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.79 3lo3 s TYR 4 Cb -0.08 -0.18 -0.02 0.00 -0.40 0.00 0.00 41.96 41.29 3lo3 s TYR 4 CO 0.23 -0.06 -0.13 0.42 -1.57 0.00 0.00 175.55 174.44 3lo3 s ILE 5 N -0.61 3.09 -0.09 2.71 1.01 0.28 -0.10 121.20 127.48 3lo3 s ILE 5 Ca -0.05 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 59.94 3lo3 s ILE 5 Cb -0.05 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 3lo3 s ILE 5 CO -0.00 0.54 -0.11 -0.63 0.00 0.00 0.00 174.94 174.73 3lo3 s ILE 6 N 0.10 3.29 -0.04 2.92 1.01 -0.29 0.19 121.20 128.38 3lo3 s ILE 6 Ca -0.06 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.01 3lo3 s ILE 6 Cb -0.15 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 39.98 3lo3 s ILE 6 CO 0.04 0.56 -0.10 0.54 0.00 0.00 0.00 174.94 175.99 3lo3 s VAL 7 N -0.28 0.88 -0.19 2.92 0.11 -0.11 -1.04 120.40 122.70 3lo3 s VAL 7 Ca 0.03 -0.39 -0.04 0.00 -2.93 0.00 0.00 61.98 58.65 3lo3 s VAL 7 Cb -0.13 -0.80 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 3lo3 s VAL 7 CO 0.03 0.28 -0.02 -0.83 -3.33 0.00 0.00 175.10 171.22 3lo3 s GLY 8 N 0.37 1.69 0.08 6.54 0.00 -0.90 -1.60 107.32 113.50 3lo3 s GLY 8 Ca -0.07 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 43.73 3lo3 s GLY 8 CO 0.01 0.14 -0.11 0.48 0.00 0.00 0.00 173.10 173.63 3lo3 s LEU 9 N 0.84 2.33 -0.09 0.66 -0.00 -0.67 -1.20 118.68 120.55 3lo3 s LEU 9 Ca -0.00 -0.69 -0.00 0.00 -0.00 0.00 0.00 54.13 53.44 3lo3 s LEU 9 Cb -0.14 -0.34 0.02 0.00 -0.00 0.00 0.00 46.19 45.73 3lo3 s LEU 9 CO 0.02 -0.19 -0.06 -0.89 -0.00 0.00 0.00 176.35 175.23 3lo3 s THR 10 N -1.81 0.85 0.36 5.48 2.01 0.16 -1.80 115.64 120.88 3lo3 s THR 10 Ca -0.01 -0.21 -0.27 0.00 0.31 0.00 0.00 61.69 61.52 3lo3 s THR 10 Cb -0.07 -0.88 -0.09 0.00 0.01 0.00 0.00 72.50 71.47 3lo3 s THR 10 CO 0.01 0.33 1.15 -2.84 -0.69 0.00 0.00 174.62 172.58 3lo3 s PRO 11 N 1.54 4.28 -0.02 4.92 0.02 -1.26 0.03 135.00 144.50 3lo3 s PRO 11 Ca 0.01 1.84 -0.03 0.00 0.02 0.00 0.00 61.00 62.83 3lo3 s PRO 11 Cb -0.13 -2.86 -0.01 0.00 0.02 0.00 0.00 34.50 31.52 3lo3 s PRO 11 CO -0.05 -0.13 -0.06 1.63 -0.33 0.00 0.00 177.00 178.06 3lo3 n LYS 12 N 0.47 0.09 -4.05 5.54 5.02 0.14 -4.80 118.16 120.57 3lo3 n LYS 12 Ca 0.02 0.04 -0.32 0.00 -2.02 0.00 0.00 58.31 56.03 3lo3 n LYS 12 Cb 0.46 -0.54 -0.15 0.00 -0.02 0.00 0.00 35.03 34.78 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 -4.72 4.44 0.43 4.39 -1.08 -1.05 -5.01 116.67 114.07 3lo3 s ASP 13 Ca -0.05 -1.51 0.12 0.00 -0.52 0.00 0.00 52.55 50.60 3lo3 s ASP 13 Cb 0.01 -1.52 0.99 0.00 -1.46 0.00 0.00 42.92 40.93 3lo3 s ASP 13 CO 0.07 -0.23 1.98 0.00 0.52 0.00 0.00 175.17 177.52 3lo3 h ALA 14 N 7.76 1.96 -0.13 3.66 0.00 -1.91 -0.38 119.26 130.21 3lo3 h ALA 14 Ca -0.16 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3lo3 h ALA 14 Cb 1.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3lo3 h ALA 14 CO 0.47 -0.08 -0.43 1.05 0.00 0.00 0.00 179.25 180.26 3lo3 h GLU 15 N 0.45 0.52 -0.81 0.00 4.11 -1.95 0.16 114.58 117.07 3lo3 h GLU 15 Ca 0.27 -0.39 0.04 0.00 0.07 0.00 0.00 59.36 59.35 3lo3 h GLU 15 Cb 0.46 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 3lo3 h GLU 15 CO -0.08 1.01 0.51 0.87 0.07 0.00 0.00 179.01 181.39 3lo3 h LYS 16 N 0.14 0.95 -0.63 1.06 1.79 -1.76 -0.12 116.57 118.01 3lo3 h LYS 16 Ca -0.02 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 3lo3 h LYS 16 Cb 1.05 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.46 3lo3 h LYS 16 CO 0.09 0.63 0.31 1.25 -1.08 0.00 0.00 179.45 180.65 3lo3 h LEU 17 N 0.98 0.81 -0.26 2.94 6.46 -0.86 0.15 115.31 125.53 3lo3 h LEU 17 Ca 0.33 -0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.93 3lo3 h LEU 17 Cb 0.04 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 3lo3 h LEU 17 CO -0.13 0.70 0.02 -0.61 -0.62 0.00 0.00 178.44 177.80 3lo3 h GLN 18 N 0.86 0.45 -0.13 1.25 4.15 -0.34 0.14 115.11 121.50 3lo3 h GLN 18 Ca 0.22 -0.14 0.05 0.00 0.77 0.00 0.00 58.65 59.55 3lo3 h GLN 18 Cb 0.10 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.68 3lo3 h GLN 18 CO -0.03 0.60 -0.34 1.96 -1.93 0.00 0.00 178.83 179.09 3lo3 h GLN 19 N 0.24 -0.41 -0.46 1.69 4.20 -0.65 -2.17 115.11 117.55 3lo3 h GLN 19 Ca 0.08 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.90 3lo3 h GLN 19 Cb 0.39 0.09 -0.08 0.00 0.30 0.00 0.00 27.48 28.18 3lo3 h GLN 19 CO 0.01 -0.27 -0.02 -0.92 -0.67 0.00 0.00 178.83 176.96 3lo3 h TYR 20 N -0.42 -0.07 0.00 2.96 3.20 -0.41 -1.60 116.97 120.63 3lo3 h TYR 20 Ca 0.09 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3lo3 h TYR 20 Cb 0.57 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.94 3lo3 h TYR 20 CO -0.42 -0.12 0.00 0.41 -1.64 0.00 0.00 178.16 176.39 3lo3 n GLY 21 N -1.31 -1.08 0.12 1.82 0.00 0.01 -1.90 105.19 102.86 3lo3 n GLY 21 Ca 0.04 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.15 3lo3 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lo3 h ALA 22 N 2.31 0.64 0.00 4.61 0.00 -0.69 -3.38 119.26 122.75 3lo3 h ALA 22 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3lo3 h ALA 22 Cb 0.26 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3lo3 h ALA 22 CO 0.00 0.47 -0.79 0.54 0.00 0.00 0.00 179.25 179.47 3lo3 n ARG 23 N -2.89 1.88 -0.02 0.00 1.74 -0.80 -4.58 116.66 111.99 3lo3 n ARG 23 Ca -0.03 -0.01 -0.16 0.00 -0.77 0.00 0.00 57.85 56.88 3lo3 n ARG 23 Cb 0.70 -1.23 -0.10 0.00 -1.02 0.00 0.00 32.46 30.81 3lo3 n ARG 23 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3lo3 h VAL 24 N 0.00 1.42 -0.98 1.55 -1.51 -1.71 -3.34 116.25 111.68 3lo3 h VAL 24 Ca 0.00 -1.90 0.24 0.00 -1.23 0.00 0.00 66.70 63.81 3lo3 h VAL 24 Cb 0.38 2.43 -0.12 0.00 -2.13 0.00 0.00 31.29 31.85 3lo3 h VAL 24 CO 0.00 0.55 0.56 0.00 -1.23 0.00 0.00 177.57 177.45 3lo3 h ALA 25 N 0.39 1.72 0.00 5.19 0.00 -1.81 0.48 119.26 125.22 3lo3 h ALA 25 Ca -0.04 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3lo3 h ALA 25 Cb 1.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3lo3 h ALA 25 CO 0.09 -0.28 -0.29 0.66 0.00 0.00 0.00 179.25 179.43 3lo3 h SER 26 N 0.55 0.00 1.93 0.00 4.64 -1.87 -3.18 113.55 115.62 3lo3 h SER 26 Ca 0.63 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.95 3lo3 h SER 26 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3lo3 h SER 26 CO -0.49 0.29 -0.07 0.71 -0.87 0.00 0.00 176.83 176.41 3lo3 h THR 27 N 0.00 0.01 0.04 2.95 1.35 -0.18 -3.26 112.91 113.81 3lo3 h THR 27 Ca -0.00 -1.02 -0.27 0.00 -0.55 0.00 0.00 66.41 64.57 3lo3 h THR 27 Cb 0.60 1.98 0.02 0.00 -1.73 0.00 0.00 68.15 69.02 3lo3 h THR 27 CO 0.04 0.01 -1.10 -0.07 -0.25 0.00 0.00 175.52 174.15 3lo3 h LEU 28 N 0.00 0.84 -1.47 3.87 3.38 -1.50 -3.36 115.31 117.06 3lo3 h LEU 28 Ca -0.00 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 3lo3 h LEU 28 Cb 1.01 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3lo3 h LEU 28 CO 0.00 1.51 0.08 0.00 0.09 0.00 0.00 178.44 180.13 3lo3 h ALA 29 N 0.42 1.06 0.00 1.53 0.00 -1.65 0.28 119.26 120.90 3lo3 h ALA 29 Ca -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3lo3 h ALA 29 Cb 1.75 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 3lo3 h ALA 29 CO 0.21 -0.06 -0.28 -0.22 0.00 0.00 0.00 179.25 178.90 3lo3 h LYS 30 N 0.00 0.00 -0.12 0.00 3.64 -1.79 -3.25 116.57 115.06 3lo3 h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3lo3 h LYS 30 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3lo3 h LYS 30 CO 0.00 0.28 0.00 0.66 -2.27 0.00 0.00 179.45 178.12 3lo3 n TYR 31 N -3.19 0.34 -3.11 1.91 4.01 0.92 -4.98 117.16 113.06 3lo3 n TYR 31 Ca 0.03 -0.82 -0.18 0.00 -0.16 0.00 0.00 57.90 56.77 3lo3 n TYR 31 Cb 0.62 -0.17 -0.01 0.00 -0.31 0.00 0.00 39.34 39.47 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 -0.77 -2.86 -4.62 7.72 7.64 -0.83 -4.54 113.62 115.36 3lo3 n SER 32 Ca 0.14 -0.16 -0.28 0.00 1.01 0.00 0.00 58.87 59.58 3lo3 n SER 32 Cb 0.62 -2.44 0.20 0.00 -1.01 0.00 0.00 64.21 61.58 3lo3 n SER 32 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3lo3 s GLY 33 N -2.47 1.55 -0.29 0.23 0.00 -1.09 -4.44 107.32 100.82 3lo3 s GLY 33 Ca 0.28 -0.36 -0.16 0.00 0.00 0.00 0.00 44.72 44.47 3lo3 s GLY 33 CO 0.34 0.29 0.94 1.85 0.00 0.00 0.00 173.10 176.52 3lo3 s GLU 34 N -4.88 0.42 -0.01 2.90 2.12 -0.69 -4.69 118.70 113.87 3lo3 s GLU 34 Ca 0.66 0.72 -0.30 0.00 0.36 0.00 0.00 54.97 56.41 3lo3 s GLU 34 Cb -0.20 0.08 -0.05 0.00 0.26 0.00 0.00 34.13 34.22 3lo3 s GLU 34 CO 0.59 -0.09 1.38 0.08 -0.54 0.00 0.00 175.26 176.68 3lo3 s VAL 35 N 1.36 3.77 -0.26 3.70 1.01 -1.26 -0.93 120.40 127.79 3lo3 s VAL 35 Ca -0.09 1.14 -0.01 0.00 0.00 0.00 0.00 61.98 63.03 3lo3 s VAL 35 Cb -0.04 -3.73 -0.17 0.00 0.00 0.00 0.00 36.38 32.44 3lo3 s VAL 35 CO -0.15 -0.00 -0.23 -0.11 0.00 0.00 0.00 175.10 174.61 3lo3 n LEU 36 N 5.36 2.82 -3.79 3.92 7.94 0.60 -4.94 117.00 128.91 3lo3 n LEU 36 Ca 0.13 -0.06 -0.09 0.00 -1.11 0.00 0.00 56.01 54.88 3lo3 n LEU 36 Cb 0.44 -0.90 -0.07 0.00 0.53 0.00 0.00 43.42 43.42 3lo3 n LEU 36 CO 0.58 0.88 -0.02 -0.69 -1.11 0.00 0.00 177.39 177.04 3lo3 s VAL 37 N -2.52 0.12 -0.16 1.96 1.01 -1.09 -4.98 120.40 114.74 3lo3 s VAL 37 Ca -0.35 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 60.39 3lo3 s VAL 37 Cb 0.10 -1.24 0.07 0.00 0.00 0.00 0.00 36.38 35.31 3lo3 s VAL 37 CO 0.59 -0.53 0.70 -0.75 0.00 0.00 0.00 175.10 175.11 3lo3 s LYS 38 N -3.69 0.95 0.00 2.72 2.20 -1.26 -1.19 119.74 119.47 3lo3 s LYS 38 Ca 0.03 0.62 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 3lo3 s LYS 38 Cb 0.03 0.45 0.00 0.00 -1.51 0.00 0.00 37.83 36.81 3lo3 s LYS 38 CO -0.10 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 3lo3 n GLY 39 N 1.78 2.75 3.77 5.54 0.00 -0.88 -5.00 105.19 113.15 3lo3 n GLY 39 Ca -0.17 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 3lo3 n GLY 39 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3lo3 s SER 40 N 0.00 4.84 -0.15 1.61 0.15 -1.26 -1.80 113.70 117.09 3lo3 s SER 40 Ca 0.00 1.96 -0.04 0.00 0.70 0.00 0.00 55.95 58.56 3lo3 s SER 40 Cb 0.00 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 3lo3 s SER 40 CO 0.00 -1.81 0.00 -0.69 1.20 0.00 0.00 173.24 171.94 3lo3 s VAL 41 N -2.52 4.27 -0.20 4.45 1.01 -0.46 -4.84 120.40 122.12 3lo3 s VAL 41 Ca 0.65 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 3lo3 s VAL 41 Cb -0.20 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3lo3 s VAL 41 CO 0.47 0.51 0.06 -0.70 0.00 0.00 0.00 175.10 175.44 3lo3 s GLU 42 N 0.06 3.86 -0.47 2.72 2.12 -1.26 -4.98 118.70 120.75 3lo3 s GLU 42 Ca 0.02 -0.39 -0.22 0.00 0.36 0.00 0.00 54.97 54.73 3lo3 s GLU 42 Cb -0.13 -3.24 0.03 0.00 0.26 0.00 0.00 34.13 31.05 3lo3 s GLU 42 CO 0.02 0.13 0.76 -1.14 -0.54 0.00 0.00 175.26 174.49 3lo3 s GLN 43 N 0.77 3.35 -0.01 4.30 2.00 -1.26 -4.87 119.66 123.93 3lo3 s GLN 43 Ca 0.03 -0.24 -0.14 0.00 -2.00 0.00 0.00 55.36 53.01 3lo3 s GLN 43 Cb -0.13 -3.97 -0.33 0.00 0.80 0.00 0.00 33.01 29.37 3lo3 s GLN 43 CO 0.02 -1.15 0.85 -0.07 -0.50 0.00 0.00 175.29 174.43 3lo3 h LEU 44 N 10.13 0.74 -7.15 3.68 3.38 -2.03 -3.48 115.31 120.57 3lo3 h LEU 44 Ca -0.25 -0.93 -0.08 0.00 0.09 0.00 0.00 57.88 56.71 3lo3 h LEU 44 Cb 1.09 -0.24 -0.22 0.00 0.09 0.00 0.00 40.66 41.38 3lo3 h LEU 44 CO 0.96 1.74 -0.04 -2.28 0.09 0.00 0.00 178.44 178.92 3lo3 s HIS 45 N -2.58 -0.61 0.00 1.13 5.04 -1.26 -5.15 115.29 111.86 3lo3 s HIS 45 Ca -0.12 1.45 0.00 0.00 -1.54 0.00 0.00 55.06 54.84 3lo3 s HIS 45 Cb 0.04 0.22 0.00 0.00 0.04 0.00 0.00 32.58 32.89 3lo3 s HIS 45 CO 0.90 -0.33 0.00 0.41 -2.34 0.00 0.00 174.74 173.38 3lo3 n GLY 46 N 2.56 -1.70 3.78 1.59 0.00 -1.26 -4.93 105.19 105.24 3lo3 n GLY 46 Ca -0.14 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 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 2.89 -0.30 1.61 1.02 -1.26 -5.07 119.74 118.63 3lo3 s LYS 47 Ca 0.00 -0.77 -0.04 0.00 0.02 0.00 0.00 55.97 55.19 3lo3 s LYS 47 Cb 0.00 -2.69 0.19 0.00 -0.52 0.00 0.00 37.83 34.81 3lo3 s LYS 47 CO 0.00 0.53 0.71 0.12 -0.92 0.00 0.00 175.35 175.79 3lo3 s PHE 48 N -1.54 -1.36 -1.03 3.18 5.36 -1.26 -5.06 117.98 116.27 3lo3 s PHE 48 Ca 0.30 1.41 0.24 0.00 -0.96 0.00 0.00 56.93 57.92 3lo3 s PHE 48 Cb -0.11 0.47 1.04 0.00 -0.34 0.00 0.00 43.02 44.07 3lo3 s PHE 48 CO 0.23 -0.75 1.77 -0.85 -1.46 0.00 0.00 175.22 174.16 3lo3 n GLU 49 N 5.44 0.02 -2.93 10.12 0.00 -1.26 -4.83 120.64 127.21 3lo3 n GLU 49 Ca -0.02 0.08 -0.18 0.00 0.00 0.00 0.00 57.16 57.04 3lo3 n GLU 49 Cb 0.52 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 30.50 3lo3 n GLU 49 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3lo3 n HIS 50 N -1.49 -1.89 -0.02 -1.84 8.25 -1.26 -4.96 115.22 112.01 3lo3 n HIS 50 Ca 0.06 -1.86 -0.01 0.00 -0.26 0.00 0.00 57.72 55.65 3lo3 n HIS 50 Cb 0.28 -0.44 -0.04 0.00 1.12 0.00 0.00 29.99 30.90 3lo3 n HIS 50 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3lo3 n LYS 51 N -1.93 2.40 -3.97 -0.41 4.76 -0.75 -4.97 118.16 113.29 3lo3 n LYS 51 Ca 0.09 -0.01 -0.08 0.00 -2.87 0.00 0.00 58.31 55.43 3lo3 n LYS 51 Cb 0.52 -1.13 -0.08 0.00 -1.84 0.00 0.00 35.03 32.49 3lo3 n LYS 51 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3lo3 s ALA 52 N -2.19 0.12 0.10 7.82 0.00 -1.06 -1.35 121.76 125.20 3lo3 s ALA 52 Ca -0.02 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.12 3lo3 s ALA 52 Cb 0.02 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 3lo3 s ALA 52 CO 0.22 -0.49 -0.22 -0.65 0.00 0.00 0.00 175.76 174.61 3lo3 s GLN 53 N -3.91 1.23 -0.04 0.00 -1.52 -0.74 -1.67 119.66 113.00 3lo3 s GLN 53 Ca 0.09 -1.19 0.04 0.00 -1.95 0.00 0.00 55.36 52.36 3lo3 s GLN 53 Cb 0.06 -1.53 -0.00 0.00 -0.22 0.00 0.00 33.01 31.31 3lo3 s GLN 53 CO -0.08 0.36 -0.17 0.08 -0.25 0.00 0.00 175.29 175.23 3lo3 s VAL 54 N -1.10 1.43 -0.20 1.09 1.01 -0.63 -2.07 120.40 119.94 3lo3 s VAL 54 Ca 0.08 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 3lo3 s VAL 54 Cb -0.10 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 3lo3 s VAL 54 CO 0.04 0.41 -0.03 -0.63 0.00 0.00 0.00 175.10 174.89 3lo3 s ILE 55 N 0.00 3.63 0.05 2.22 1.01 -0.34 -0.93 121.20 126.84 3lo3 s ILE 55 Ca -0.03 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 60.25 3lo3 s ILE 55 Cb -0.11 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 3lo3 s ILE 55 CO 0.02 0.44 -0.11 -0.76 0.00 0.00 0.00 174.94 174.53 3lo3 s LEU 56 N 1.05 2.96 -0.07 2.97 1.02 0.13 -0.29 118.68 126.44 3lo3 s LEU 56 Ca 0.01 -0.30 0.03 0.00 0.02 0.00 0.00 54.13 53.89 3lo3 s LEU 56 Cb -0.15 -1.73 0.00 0.00 0.02 0.00 0.00 46.19 44.34 3lo3 s LEU 56 CO 0.01 0.24 -0.17 -0.70 0.02 0.00 0.00 176.35 175.75 3lo3 s GLU 57 N -1.67 2.12 0.10 1.70 2.12 -0.11 -0.56 118.70 122.40 3lo3 s GLU 57 Ca 0.18 -0.61 0.05 0.00 0.36 0.00 0.00 54.97 54.95 3lo3 s GLU 57 Cb -0.11 -1.71 -0.03 0.00 0.26 0.00 0.00 34.13 32.53 3lo3 s GLU 57 CO 0.09 0.14 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.75 3lo3 s PHE 58 N 0.38 1.29 0.61 5.30 0.08 -0.43 -1.70 117.98 123.50 3lo3 s PHE 58 Ca -0.13 -0.54 0.32 0.00 0.12 0.00 0.00 56.93 56.71 3lo3 s PHE 58 Cb -0.15 -0.70 1.88 0.00 -0.57 0.00 0.00 43.02 43.49 3lo3 s PHE 58 CO 0.05 0.09 2.23 -1.35 -0.10 0.00 0.00 175.22 176.15 3lo3 h PRO 59 N 3.78 0.00 -3.68 0.24 0.11 -1.80 -1.75 132.00 128.91 3lo3 h PRO 59 Ca -0.40 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.60 3lo3 h PRO 59 Cb 1.19 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 3lo3 h PRO 59 CO 0.47 0.00 -0.07 -1.54 -0.21 0.00 0.00 178.00 176.65 3lo3 s SER 60 N -5.87 0.20 0.13 -2.05 1.04 -1.25 -4.11 113.70 101.78 3lo3 s SER 60 Ca -0.05 -1.11 -0.13 0.00 0.48 0.00 0.00 55.95 55.15 3lo3 s SER 60 Cb 0.15 0.65 -0.06 0.00 0.10 0.00 0.00 66.02 66.86 3lo3 s SER 60 CO 0.52 -1.27 1.46 -0.09 0.98 0.00 0.00 173.24 174.84 3lo3 h ARG 61 N 2.17 0.85 -0.49 4.02 2.43 -1.88 -3.19 114.38 118.28 3lo3 h ARG 61 Ca -0.27 -0.44 -0.11 0.00 -0.81 0.00 0.00 59.98 58.35 3lo3 h ARG 61 Cb 1.25 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 3lo3 h ARG 61 CO 0.37 1.08 -0.12 0.93 -1.51 0.00 0.00 179.97 180.71 3lo3 h GLU 62 N 0.64 0.93 -0.73 0.20 5.08 -1.96 -1.77 114.58 116.96 3lo3 h GLU 62 Ca 0.06 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3lo3 h GLU 62 Cb 0.91 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 3lo3 h GLU 62 CO 0.08 1.00 0.45 -0.44 -1.00 0.00 0.00 179.01 179.10 3lo3 h ASP 63 N 0.83 0.87 -0.66 1.42 3.32 -1.92 0.38 116.42 120.66 3lo3 h ASP 63 Ca 0.13 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3lo3 h ASP 63 Cb 0.66 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 3lo3 h ASP 63 CO 0.05 0.67 0.34 0.00 -1.72 0.00 0.00 179.24 178.57 3lo3 h ALA 64 N 1.24 0.85 -0.05 3.45 0.00 -1.44 -0.68 119.26 122.62 3lo3 h ALA 64 Ca 0.26 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 3lo3 h ALA 64 Cb -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3lo3 h ALA 64 CO -0.05 0.39 -0.84 -0.92 0.00 0.00 0.00 179.25 177.83 3lo3 h TYR 65 N 0.91 0.69 -0.55 0.00 3.20 -0.91 -2.05 116.97 118.26 3lo3 h TYR 65 Ca 0.23 -0.34 -0.10 0.00 3.14 0.00 0.00 58.73 61.66 3lo3 h TYR 65 Cb 0.08 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 3lo3 h TYR 65 CO -0.00 1.14 -0.07 -0.91 -1.64 0.00 0.00 178.16 176.68 3lo3 h ASN 66 N 0.31 0.99 0.43 -2.11 2.35 -0.08 -2.17 115.58 115.29 3lo3 h ASN 66 Ca -0.06 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.36 3lo3 h ASN 66 Cb 1.45 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.56 3lo3 h ASN 66 CO 0.15 1.08 -0.21 -0.25 -1.65 0.00 0.00 177.43 176.55 3lo3 h TRP 67 N 0.90 -0.54 -0.87 1.19 7.01 -1.08 0.51 115.95 123.07 3lo3 h TRP 67 Ca 0.15 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.27 3lo3 h TRP 67 Cb 0.62 0.18 -0.07 0.00 -2.10 0.00 0.00 29.16 27.79 3lo3 h TRP 67 CO 0.04 -0.32 0.56 -0.92 -2.79 0.00 0.00 178.44 175.02 3lo3 h TYR 68 N -0.61 0.81 -0.52 2.65 3.20 -1.37 -2.29 116.97 118.84 3lo3 h TYR 68 Ca -0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3lo3 h TYR 68 Cb 0.46 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.47 3lo3 h TYR 68 CO -0.04 0.32 0.00 0.72 -1.64 0.00 0.00 178.16 177.52 3lo3 n HIS 69 N -4.55 0.69 -2.55 -3.82 8.25 -0.82 -4.32 115.22 108.10 3lo3 n HIS 69 Ca 0.16 -0.35 -0.36 0.00 -0.26 0.00 0.00 57.72 56.92 3lo3 n HIS 69 Cb 0.44 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.51 3lo3 n HIS 69 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3lo3 s SER 70 N -1.18 6.69 0.21 0.41 1.04 0.14 -4.82 113.70 116.19 3lo3 s SER 70 Ca 0.40 2.01 -0.09 0.00 0.48 0.00 0.00 55.95 58.75 3lo3 s SER 70 Cb 0.22 -2.58 0.26 0.00 0.10 0.00 0.00 66.02 64.02 3lo3 s SER 70 CO 0.29 -0.54 1.79 -0.33 0.98 0.00 0.00 173.24 175.43 3lo3 h GLU 71 N 2.32 0.58 -0.07 4.02 5.08 -1.90 0.10 114.58 124.73 3lo3 h GLU 71 Ca -0.48 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 57.87 3lo3 h GLU 71 Cb 1.21 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 3lo3 h GLU 71 CO 0.62 0.39 -0.50 1.05 -1.00 0.00 0.00 179.01 179.56 3lo3 h GLU 72 N 0.60 -0.58 0.46 2.33 9.09 -1.94 -2.43 114.58 122.11 3lo3 h GLU 72 Ca 0.31 0.04 -0.02 0.00 0.05 0.00 0.00 59.36 59.74 3lo3 h GLU 72 Cb 0.26 0.13 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 3lo3 h GLU 72 CO -0.22 -0.39 -0.22 -0.92 0.05 0.00 0.00 179.01 177.31 3lo3 h TYR 73 N -0.60 -0.57 -1.21 2.06 3.20 -1.65 -2.48 116.97 115.72 3lo3 h TYR 73 Ca 0.04 -0.01 0.35 0.00 3.14 0.00 0.00 58.73 62.24 3lo3 h TYR 73 Cb 0.69 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.10 3lo3 h TYR 73 CO -0.52 -0.27 1.23 1.04 -1.64 0.00 0.00 178.16 178.00 3lo3 n GLN 74 N -5.28 0.01 0.00 1.82 1.13 0.30 0.12 117.38 115.49 3lo3 n GLN 74 Ca -0.11 1.00 0.13 0.00 -1.94 0.00 0.00 57.00 56.08 3lo3 n GLN 74 Cb 0.30 -2.45 0.65 0.00 0.11 0.00 0.00 30.24 28.85 3lo3 n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3lo3 n ALA 75 N -2.36 2.32 0.31 -1.58 0.00 -0.92 -3.13 120.51 115.14 3lo3 n ALA 75 Ca 0.27 -0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.69 3lo3 n ALA 75 Cb 1.59 -1.44 0.15 0.00 0.00 0.00 0.00 19.45 19.75 3lo3 n ALA 75 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3lo3 n LEU 76 N -1.37 2.92 0.09 0.00 4.77 0.33 -4.60 117.00 119.14 3lo3 n LEU 76 Ca 0.11 -1.42 -0.19 0.00 -0.03 0.00 0.00 56.01 54.47 3lo3 n LEU 76 Cb 0.25 -0.16 -0.15 0.00 -2.33 0.00 0.00 43.42 41.04 3lo3 n LEU 76 CO 0.22 0.62 -0.29 0.40 -1.33 0.00 0.00 177.39 177.02 3lo3 h ILE 77 N 3.41 1.22 -0.26 -0.08 2.04 -1.64 -0.47 117.51 121.72 3lo3 h ILE 77 Ca 0.00 -2.80 0.03 0.00 1.00 0.00 0.00 64.86 63.10 3lo3 h ILE 77 Cb 0.80 2.84 -0.03 0.00 -0.74 0.00 0.00 36.82 39.69 3lo3 h ILE 77 CO 0.00 0.84 0.06 0.28 0.00 0.00 0.00 178.15 179.33 3lo3 h SER 78 N 0.09 0.03 0.00 1.72 0.02 -1.81 -0.76 113.55 112.84 3lo3 h SER 78 Ca -0.24 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3lo3 h SER 78 Cb 2.04 0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.63 3lo3 h SER 78 CO 0.19 0.05 -0.00 0.74 -1.14 0.00 0.00 176.83 176.67 3lo3 h THR 79 N 0.16 1.12 -0.61 -2.27 2.02 -1.85 -3.09 112.91 108.40 3lo3 h THR 79 Ca 0.12 -0.38 0.09 0.00 0.77 0.00 0.00 66.41 67.01 3lo3 h THR 79 Cb 0.11 1.38 -0.07 0.00 -1.74 0.00 0.00 68.15 67.83 3lo3 h THR 79 CO -0.15 0.10 0.23 -0.09 0.37 0.00 0.00 175.52 175.98 3lo3 h ARG 80 N -0.17 0.41 0.00 6.66 2.43 -0.84 -1.77 114.38 121.10 3lo3 h ARG 80 Ca -0.00 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 3lo3 h ARG 80 Cb 0.16 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3lo3 h ARG 80 CO 0.00 0.27 -0.18 -0.44 -1.51 0.00 0.00 179.97 178.11 3lo3 h ASP 81 N 0.42 0.00 1.08 -3.80 3.32 -1.09 -1.56 116.42 114.78 3lo3 h ASP 81 Ca 0.31 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.20 3lo3 h ASP 81 Cb 0.37 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3lo3 h ASP 81 CO -0.30 0.18 -0.97 -0.07 -1.72 0.00 0.00 179.24 176.36 3lo3 h LEU 82 N 0.00 0.00 -0.09 1.55 3.38 -1.34 -3.42 115.31 115.38 3lo3 h LEU 82 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3lo3 h LEU 82 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3lo3 h LEU 82 CO 0.02 0.65 -0.06 0.61 0.09 0.00 0.00 178.44 179.76 3lo3 n GLY 83 N 1.33 -1.15 3.58 0.83 0.00 -0.59 -3.30 105.19 105.89 3lo3 n GLY 83 Ca -0.03 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 3lo3 n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3lo3 s ASP 85 N -2.55 5.01 0.34 1.61 -0.00 0.10 0.27 116.67 121.45 3lo3 s ASP 85 Ca 0.28 -0.01 -0.03 0.00 -0.00 0.00 0.00 52.55 52.79 3lo3 s ASP 85 Cb 0.20 -1.65 0.00 0.00 -0.00 0.00 0.00 42.92 41.47 3lo3 s ASP 85 CO 0.48 0.25 0.47 -0.94 -0.00 0.00 0.00 175.17 175.43 3lo3 s SER 86 N -0.13 0.88 -0.08 0.27 1.04 -1.26 0.36 113.70 114.78 3lo3 s SER 86 Ca 0.04 -1.47 -0.04 0.00 0.48 0.00 0.00 55.95 54.96 3lo3 s SER 86 Cb -0.13 0.66 0.04 0.00 0.10 0.00 0.00 66.02 66.69 3lo3 s SER 86 CO 0.02 -1.29 0.17 0.00 0.98 0.00 0.00 173.24 173.12 3lo3 s GLN 87 N -3.09 0.12 -0.16 4.02 -2.07 -0.34 -4.98 119.66 113.17 3lo3 s GLN 87 Ca 0.30 0.41 -0.02 0.00 -1.82 0.00 0.00 55.36 54.24 3lo3 s GLN 87 Cb -0.00 -0.16 -0.02 0.00 -1.09 0.00 0.00 33.01 31.74 3lo3 s GLN 87 CO 0.20 -0.16 -0.09 -0.06 -1.32 0.00 0.00 175.29 173.85 3lo3 s PHE 88 N 1.17 2.89 -0.08 9.60 2.99 -1.26 -2.11 117.98 131.18 3lo3 s PHE 88 Ca -0.09 -0.65 0.04 0.00 0.00 0.00 0.00 56.93 56.23 3lo3 s PHE 88 Cb -0.11 -1.92 -0.00 0.00 0.00 0.00 0.00 43.02 40.98 3lo3 s PHE 88 CO -0.07 -0.26 -0.22 -0.65 -0.00 0.00 0.00 175.22 174.02 3lo3 s GLN 89 N 0.61 2.67 -0.37 0.44 1.11 -0.21 -4.97 119.66 118.94 3lo3 s GLN 89 Ca -0.06 -0.81 -0.13 0.00 0.01 0.00 0.00 55.36 54.37 3lo3 s GLN 89 Cb -0.15 -2.10 0.01 0.00 -1.01 0.00 0.00 33.01 29.75 3lo3 s GLN 89 CO 0.03 0.22 0.25 -1.17 0.01 0.00 0.00 175.29 174.63 3lo3 s LEU 90 N 0.22 4.75 -0.44 2.90 2.96 -1.26 -1.14 118.68 126.67 3lo3 s LEU 90 Ca -0.13 -0.73 -0.10 0.00 -0.22 0.00 0.00 54.13 52.95 3lo3 s LEU 90 Cb -0.16 -2.11 0.09 0.00 0.50 0.00 0.00 46.19 44.51 3lo3 s LEU 90 CO 0.06 -0.34 0.29 -0.63 -1.32 0.00 0.00 176.35 174.41 3lo3 s ILE 91 N 1.66 4.33 0.00 6.68 -1.09 0.86 -4.98 121.20 128.66 3lo3 s ILE 91 Ca 0.05 -1.45 0.00 0.00 -2.23 0.00 0.00 60.65 57.02 3lo3 s ILE 91 Cb -0.18 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 3lo3 s ILE 91 CO 0.09 -0.57 0.09 0.61 -1.23 0.00 0.00 174.94 173.93