#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1llr s PRO 2 N 0.00 2.97 0.20 -2.82 0.02 -1.26 -4.92 135.00 129.19 1llr s PRO 2 Ca 0.00 2.06 0.20 0.00 0.02 0.00 0.00 61.00 63.28 1llr s PRO 2 Cb 0.00 -2.07 0.01 0.00 0.02 0.00 0.00 34.50 32.46 1llr s PRO 2 CO 0.00 -1.27 1.08 1.96 -0.33 0.00 0.00 177.00 178.44 1llr h GLN 3 N 1.10 0.00 -3.06 5.54 1.08 -2.02 -3.48 115.11 114.27 1llr h GLN 3 Ca -0.51 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 56.75 1llr h GLN 3 Cb 1.31 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.68 1llr h GLN 3 CO 0.56 0.13 0.20 0.54 -0.95 0.00 0.00 178.83 179.30 1llr s ASN 4 N -5.68 -0.25 0.45 1.46 2.20 -1.26 -5.06 114.94 106.81 1llr s ASN 4 Ca 0.00 -0.64 0.17 0.00 -0.94 0.00 0.00 52.86 51.45 1llr s ASN 4 Cb 0.09 0.72 1.06 0.00 -2.00 0.00 0.00 41.25 41.11 1llr s ASN 4 CO 0.78 -1.33 1.98 -0.29 -2.94 0.00 0.00 177.10 175.30 1llr h ILE 5 N 2.02 1.03 -0.20 0.54 2.10 -1.96 -1.73 117.51 119.31 1llr h ILE 5 Ca -0.20 -0.70 -0.06 0.00 1.08 0.00 0.00 64.86 64.98 1llr h ILE 5 Cb 1.25 1.39 -0.00 0.00 -1.09 0.00 0.00 36.82 38.37 1llr h ILE 5 CO 0.24 0.19 -0.11 0.74 -1.08 0.00 0.00 178.15 178.14 1llr h THR 6 N 0.00 1.31 -0.35 2.19 2.02 -1.99 -0.23 112.91 115.86 1llr h THR 6 Ca -0.00 -1.18 -0.09 0.00 0.77 0.00 0.00 66.41 65.91 1llr h THR 6 Cb 0.37 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1llr h THR 6 CO 0.03 0.36 -0.17 0.44 0.37 0.00 0.00 175.52 176.54 1llr h ASP 7 N 0.11 0.64 -0.27 4.18 3.32 -1.95 -2.05 116.42 120.39 1llr h ASP 7 Ca 0.04 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.81 1llr h ASP 7 Cb 0.60 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1llr h ASP 7 CO 0.03 0.82 -0.17 0.25 -1.72 0.00 0.00 179.24 178.45 1llr h LEU 8 N 0.58 0.63 -1.34 1.55 6.46 -1.13 -2.98 115.31 119.06 1llr h LEU 8 Ca 0.09 -0.43 -0.01 0.00 -0.12 0.00 0.00 57.88 57.42 1llr h LEU 8 Cb 0.62 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 1llr h LEU 8 CO 0.04 0.92 0.32 0.00 -0.62 0.00 0.00 178.44 179.10 1llr h ALA 10 N 1.58 1.00 0.00 0.00 0.00 -1.22 -2.16 119.26 118.45 1llr h ALA 10 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1llr h ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1llr h ALA 10 CO -0.04 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.60 1llr n GLU 11 N -2.53 0.06 -4.52 0.00 1.02 -0.73 -4.84 120.64 109.10 1llr n GLU 11 Ca 0.00 0.21 -0.30 0.00 -0.02 0.00 0.00 57.16 57.05 1llr n GLU 11 Cb 0.18 -1.59 -0.13 0.00 -0.02 0.00 0.00 31.44 29.88 1llr n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1llr s TYR 12 N -3.06 2.44 0.61 -0.32 1.51 -0.81 -5.12 117.35 112.59 1llr s TYR 12 Ca 0.09 -0.32 -0.12 0.00 -1.01 0.00 0.00 57.07 55.70 1llr s TYR 12 Cb 0.12 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 1llr s TYR 12 CO 0.39 0.30 1.03 -1.58 -1.11 0.00 0.00 175.55 174.58 1llr s HIS 13 N -1.01 3.46 -1.17 2.71 2.46 -1.26 -4.21 115.29 116.27 1llr s HIS 13 Ca 0.15 1.36 -0.03 0.00 0.47 0.00 0.00 55.06 57.02 1llr s HIS 13 Cb -0.10 -2.78 0.00 0.00 -0.13 0.00 0.00 32.58 29.57 1llr s HIS 13 CO 0.06 -0.75 0.36 0.09 -2.47 0.00 0.00 174.74 172.03 1llr n ASN 14 N -2.54 -4.83 -4.46 9.88 5.03 -1.26 -4.99 115.26 112.10 1llr n ASN 14 Ca 0.07 -0.17 -0.23 0.00 0.87 0.00 0.00 54.58 55.12 1llr n ASN 14 Cb 0.54 -3.74 -0.10 0.00 -1.02 0.00 0.00 39.78 35.45 1llr n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1llr s THR 15 N -2.95 1.86 0.14 3.41 -4.23 -1.26 -1.40 115.64 111.21 1llr s THR 15 Ca 0.18 -2.17 -0.08 0.00 -1.18 0.00 0.00 61.69 58.45 1llr s THR 15 Cb -0.08 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 1llr s THR 15 CO 0.22 -0.29 0.23 0.00 -0.54 0.00 0.00 174.62 174.24 1llr s GLN 16 N -3.68 1.05 -0.08 3.99 -2.07 -0.42 -4.83 119.66 113.63 1llr s GLN 16 Ca 0.30 -1.18 -0.12 0.00 -1.82 0.00 0.00 55.36 52.55 1llr s GLN 16 Cb 0.03 0.35 -0.05 0.00 -1.09 0.00 0.00 33.01 32.25 1llr s GLN 16 CO 0.13 -0.36 0.29 0.42 -1.32 0.00 0.00 175.29 174.45 1llr s ILE 17 N -3.96 5.26 -0.16 3.63 -1.09 -1.26 -1.15 121.20 122.47 1llr s ILE 17 Ca 0.16 0.56 -0.03 0.00 -2.23 0.00 0.00 60.65 59.10 1llr s ILE 17 Cb 0.04 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.31 1llr s ILE 17 CO -0.02 0.55 -0.05 -1.00 -1.23 0.00 0.00 174.94 173.19 1llr s HIS 18 N -0.72 2.98 -0.30 3.97 3.76 -0.02 -4.99 115.29 119.98 1llr s HIS 18 Ca 0.19 -0.41 -0.09 0.00 -0.15 0.00 0.00 55.06 54.60 1llr s HIS 18 Cb -0.14 -1.95 -0.01 0.00 1.11 0.00 0.00 32.58 31.58 1llr s HIS 18 CO 0.08 -0.11 0.13 0.99 -0.85 0.00 0.00 174.74 174.98 1llr s THR 19 N 0.47 4.52 -0.20 1.30 2.01 -1.26 -1.19 115.64 121.29 1llr s THR 19 Ca -0.04 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 1llr s THR 19 Cb -0.15 -3.27 -0.11 0.00 0.01 0.00 0.00 72.50 68.98 1llr s THR 19 CO 0.03 0.12 -0.22 0.18 -0.69 0.00 0.00 174.62 174.04 1llr n LEU 20 N 4.96 2.34 -4.13 4.42 7.99 0.03 -5.01 117.00 127.60 1llr n LEU 20 Ca -0.14 0.05 -0.42 0.00 -0.01 0.00 0.00 56.01 55.49 1llr n LEU 20 Cb 0.49 -0.66 -0.01 0.00 -0.11 0.00 0.00 43.42 43.13 1llr n LEU 20 CO 0.33 0.67 -0.25 0.59 -1.51 0.00 0.00 177.39 177.22 1llr n ASN 21 N -3.45 -2.76 -3.46 -1.43 3.02 0.03 -4.94 115.26 102.25 1llr n ASN 21 Ca -0.38 -1.28 -0.14 0.00 -0.03 0.00 0.00 54.58 52.74 1llr n ASN 21 Cb 0.84 -1.72 -0.04 0.00 -0.61 0.00 0.00 39.78 38.25 1llr n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1llr s ASP 22 N -3.77 -0.60 0.70 6.41 2.15 -0.79 -4.89 116.67 115.89 1llr s ASP 22 Ca 0.36 0.28 -0.11 0.00 0.43 0.00 0.00 52.55 53.51 1llr s ASP 22 Cb -0.19 0.57 0.01 0.00 -0.30 0.00 0.00 42.92 43.00 1llr s ASP 22 CO 0.98 -0.81 1.06 -1.59 -0.17 0.00 0.00 175.17 174.64 1llr s LYS 23 N -2.72 2.87 0.13 4.34 -2.85 -1.26 -0.79 119.74 119.46 1llr s LYS 23 Ca -0.03 0.99 -0.30 0.00 -1.00 0.00 0.00 55.97 55.62 1llr s LYS 23 Cb -0.01 -1.98 -0.07 0.00 -2.06 0.00 0.00 37.83 33.71 1llr s LYS 23 CO -0.04 -1.15 1.27 0.42 0.10 0.00 0.00 175.35 175.95 1llr s ILE 24 N -3.00 3.55 0.02 3.79 1.01 -1.26 -4.71 121.20 120.60 1llr s ILE 24 Ca 0.59 1.19 -0.06 0.00 0.00 0.00 0.00 60.65 62.36 1llr s ILE 24 Cb -0.14 -3.76 -0.29 0.00 0.01 0.00 0.00 42.46 38.27 1llr s ILE 24 CO 0.54 0.13 0.92 0.15 0.00 0.00 0.00 174.94 176.68 1llr h PHE 25 N 6.13 0.57 -3.29 3.97 3.57 -0.97 -3.48 116.94 123.45 1llr h PHE 25 Ca -0.43 -0.42 -0.14 0.00 3.53 0.00 0.00 57.97 60.51 1llr h PHE 25 Cb 1.21 -0.02 -0.21 0.00 2.79 0.00 0.00 35.95 39.72 1llr h PHE 25 CO 0.64 1.42 -0.40 -1.54 -2.23 0.00 0.00 178.31 176.21 1llr s SER 26 N -7.14 -0.09 -0.09 0.41 1.04 -1.05 -4.97 113.70 101.81 1llr s SER 26 Ca -0.09 -0.00 0.02 0.00 0.48 0.00 0.00 55.95 56.36 1llr s SER 26 Cb 0.06 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.48 1llr s SER 26 CO 0.87 -0.36 -0.14 -0.47 0.98 0.00 0.00 173.24 174.13 1llr s TYR 27 N -1.15 1.73 -0.01 5.02 5.04 -1.26 -1.70 117.35 125.01 1llr s TYR 27 Ca -0.12 -0.72 0.05 0.00 -2.44 0.00 0.00 57.07 53.83 1llr s TYR 27 Cb -0.06 -1.25 -0.01 0.00 0.35 0.00 0.00 41.96 40.99 1llr s TYR 27 CO 0.02 -0.37 -0.15 0.99 -1.34 0.00 0.00 175.55 174.70 1llr s THR 28 N 0.81 1.20 0.01 4.34 2.01 0.02 -5.00 115.64 119.03 1llr s THR 28 Ca -0.11 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.20 1llr s THR 28 Cb -0.16 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 1llr s THR 28 CO 0.02 0.34 0.05 -1.83 -0.69 0.00 0.00 174.62 172.51 1llr s GLU 29 N -0.35 0.39 0.00 4.92 -1.05 -1.26 -0.76 118.70 120.60 1llr s GLU 29 Ca 0.06 -0.50 0.03 0.00 -0.15 0.00 0.00 54.97 54.41 1llr s GLU 29 Cb -0.06 0.15 -0.01 0.00 -0.44 0.00 0.00 34.13 33.77 1llr s GLU 29 CO -0.01 -0.08 -0.10 0.45 0.95 0.00 0.00 175.26 176.47 1llr s SER 30 N -1.40 1.14 0.00 0.83 0.15 -0.74 -5.01 113.70 108.67 1llr s SER 30 Ca -0.15 -0.24 0.13 0.00 0.70 0.00 0.00 55.95 56.39 1llr s SER 30 Cb -0.09 -0.11 0.21 0.00 -1.71 0.00 0.00 66.02 64.33 1llr s SER 30 CO 0.00 0.08 1.07 0.00 1.20 0.00 0.00 173.24 175.59 1llr n LEU 31 N 2.60 2.50 -4.75 3.45 -0.00 -1.26 -3.02 117.00 116.53 1llr n LEU 31 Ca -0.15 -1.38 -0.36 0.00 -0.00 0.00 0.00 56.01 54.12 1llr n LEU 31 Cb 0.56 -0.11 0.04 0.00 -0.00 0.00 0.00 43.42 43.91 1llr n LEU 31 CO 0.24 0.54 0.86 0.00 -0.00 0.00 0.00 177.39 179.03 1llr s ALA 32 N -1.08 2.57 0.08 1.47 0.00 -1.26 -4.82 121.76 118.72 1llr s ALA 32 Ca 0.20 1.06 -0.31 0.00 0.00 0.00 0.00 51.96 52.92 1llr s ALA 32 Cb 0.13 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 1llr s ALA 32 CO 0.18 -1.20 1.45 0.20 0.00 0.00 0.00 175.76 176.39 1llr s GLY 33 N -1.50 1.84 0.00 0.00 0.00 -1.26 -0.79 107.32 105.61 1llr s GLY 33 Ca 0.77 1.09 0.00 0.00 0.00 0.00 0.00 44.72 46.58 1llr s GLY 33 CO 0.35 2.50 0.00 0.28 0.00 0.00 0.00 173.10 176.23 1llr n LYS 34 N 4.61 -0.25 -2.03 2.90 5.02 -1.26 -4.82 118.16 122.32 1llr n LYS 34 Ca 0.13 0.06 -0.03 0.00 -2.02 0.00 0.00 58.31 56.45 1llr n LYS 34 Cb 0.42 -3.24 0.06 0.00 -0.02 0.00 0.00 35.03 32.25 1llr n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1llr n ARG 35 N -2.04 1.67 -2.56 1.97 5.12 0.03 -4.97 116.66 115.88 1llr n ARG 35 Ca 0.00 -3.24 -0.41 0.00 -1.93 0.00 0.00 57.85 52.27 1llr n ARG 35 Cb 0.06 -1.35 -0.03 0.00 -1.16 0.00 0.00 32.46 29.99 1llr n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1llr s GLU 36 N -2.73 3.64 0.22 5.56 8.01 -1.13 -4.32 118.70 127.95 1llr s GLU 36 Ca 0.35 -1.25 -0.13 0.00 0.01 0.00 0.00 54.97 53.95 1llr s GLU 36 Cb 0.36 -5.39 0.00 0.00 -4.31 0.00 0.00 34.13 24.80 1llr s GLU 36 CO -0.06 -2.23 0.46 0.00 0.01 0.00 0.00 175.26 173.43 1llr s MET 37 N 4.89 1.45 0.11 1.61 0.23 -1.17 -4.17 119.30 122.26 1llr s MET 37 Ca 0.48 -1.15 0.09 0.00 -1.03 0.00 0.00 55.69 54.08 1llr s MET 37 Cb 0.01 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 33.74 1llr s MET 37 CO -0.07 -0.60 -0.23 0.00 -2.03 0.00 0.00 175.02 172.09 1llr s ALA 38 N -3.98 2.04 -0.03 3.16 0.00 -1.20 -1.78 121.76 119.97 1llr s ALA 38 Ca 0.19 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 50.83 1llr s ALA 38 Cb -0.00 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.83 1llr s ALA 38 CO 0.05 0.44 -0.08 0.42 0.00 0.00 0.00 175.76 176.59 1llr s ILE 39 N -1.11 0.72 0.19 0.00 1.01 0.06 -0.86 121.20 121.20 1llr s ILE 39 Ca 0.10 -0.29 0.10 0.00 0.00 0.00 0.00 60.65 60.56 1llr s ILE 39 Cb -0.10 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 1llr s ILE 39 CO 0.05 0.24 -0.21 0.27 0.00 0.00 0.00 174.94 175.29 1llr s ILE 40 N 0.46 2.16 0.13 2.92 -4.36 -0.02 -0.80 121.20 121.70 1llr s ILE 40 Ca -0.07 -2.02 0.05 0.00 -0.26 0.00 0.00 60.65 58.34 1llr s ILE 40 Cb -0.11 -2.03 -0.04 0.00 1.25 0.00 0.00 42.46 41.52 1llr s ILE 40 CO 0.01 -0.22 -0.11 0.42 0.24 0.00 0.00 174.94 175.28 1llr s THR 41 N -1.89 1.18 0.24 8.37 -4.23 -0.69 -0.86 115.64 117.76 1llr s THR 41 Ca 0.20 -1.91 0.09 0.00 -1.18 0.00 0.00 61.69 58.89 1llr s THR 41 Cb -0.07 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 1llr s THR 41 CO 0.09 -0.63 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.14 1llr s PHE 42 N -2.88 2.66 -0.20 3.99 0.08 -0.22 -0.29 117.98 121.13 1llr s PHE 42 Ca 0.13 -0.22 0.23 0.00 0.12 0.00 0.00 56.93 57.19 1llr s PHE 42 Cb -0.00 -1.21 1.21 0.00 -0.57 0.00 0.00 43.02 42.45 1llr s PHE 42 CO 0.01 0.60 1.71 1.57 -0.10 0.00 0.00 175.22 179.01 1llr h LYS 43 N 2.20 0.00 -0.08 0.44 2.10 -1.89 -0.59 116.57 118.75 1llr h LYS 43 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1llr h LYS 43 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1llr h LYS 43 CO 0.59 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.31 1llr n ASN 44 N -2.31 1.01 0.00 7.07 6.94 -1.26 -4.88 115.26 121.82 1llr n ASN 44 Ca -0.01 -1.54 0.00 0.00 -0.02 0.00 0.00 54.58 53.01 1llr n ASN 44 Cb 0.07 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 1llr n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1llr n GLY 45 N 1.02 0.74 3.74 4.83 0.00 -0.23 -5.04 105.19 110.26 1llr n GLY 45 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1llr n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1llr s ALA 46 N -2.96 3.62 -0.04 4.61 0.00 -1.25 -4.76 121.76 120.98 1llr s ALA 46 Ca 0.00 1.30 0.04 0.00 0.00 0.00 0.00 51.96 53.30 1llr s ALA 46 Cb 0.00 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 1llr s ALA 46 CO 0.00 -0.71 -0.18 0.99 0.00 0.00 0.00 175.76 175.86 1llr s THR 47 N 0.05 1.47 0.06 0.00 2.01 -1.26 -1.05 115.64 116.91 1llr s THR 47 Ca 0.59 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.87 1llr s THR 47 Cb -0.41 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1llr s THR 47 CO 0.42 0.42 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.34 1llr s PHE 48 N 0.02 0.69 0.19 4.92 0.08 -0.04 -3.97 117.98 119.87 1llr s PHE 48 Ca -0.04 -0.63 0.11 0.00 0.12 0.00 0.00 56.93 56.49 1llr s PHE 48 Cb -0.12 -0.42 -0.04 0.00 -0.57 0.00 0.00 43.02 41.87 1llr s PHE 48 CO 0.02 -0.12 -0.24 1.14 -0.10 0.00 0.00 175.22 175.92 1llr s GLN 49 N -2.26 1.51 -0.37 0.44 -2.07 -0.60 -0.84 119.66 115.46 1llr s GLN 49 Ca -0.04 -1.51 -0.16 0.00 -1.82 0.00 0.00 55.36 51.83 1llr s GLN 49 Cb -0.05 -1.84 0.00 0.00 -1.09 0.00 0.00 33.01 30.02 1llr s GLN 49 CO -0.01 0.40 0.38 0.08 -1.32 0.00 0.00 175.29 174.81 1llr s VAL 50 N -1.63 5.15 0.78 3.63 1.01 -0.04 -0.89 120.40 128.42 1llr s VAL 50 Ca 0.20 -0.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.90 1llr s VAL 50 Cb -0.08 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.47 1llr s VAL 50 CO 0.09 -0.21 1.22 -1.61 0.00 0.00 0.00 175.10 174.59 1llr s GLU 51 N 2.02 1.78 0.25 2.72 2.02 -1.26 -3.23 118.70 123.00 1llr s GLU 51 Ca 0.11 1.79 -0.31 0.00 0.02 0.00 0.00 54.97 56.59 1llr s GLU 51 Cb -0.17 -1.79 -0.11 0.00 0.10 0.00 0.00 34.13 32.16 1llr s GLU 51 CO 0.12 -2.12 1.62 0.08 0.02 0.00 0.00 175.26 174.99 1llr s VAL 52 N -2.05 2.14 0.27 2.63 1.01 -1.26 -4.87 120.40 118.27 1llr s VAL 52 Ca 0.74 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 1llr s VAL 52 Cb -0.30 -3.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.90 1llr s VAL 52 CO 0.49 0.01 1.63 -2.84 0.00 0.00 0.00 175.10 174.39 1llr s PRO 53 N 0.19 4.12 0.00 2.72 0.02 -1.26 -4.96 135.00 135.83 1llr s PRO 53 Ca 0.67 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.28 1llr s PRO 53 Cb -0.48 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.01 1llr s PRO 53 CO 0.41 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 1llr n GLY 54 N 2.64 3.28 0.28 0.52 0.00 -1.26 -5.04 105.19 105.61 1llr n GLY 54 Ca 0.10 -1.20 0.17 0.00 0.00 0.00 0.00 46.02 45.09 1llr n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1llr h SER 55 N 0.00 0.00 0.73 1.61 4.64 -2.02 -1.00 113.55 117.50 1llr h SER 55 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1llr h SER 55 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1llr h SER 55 CO 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 1llr n GLN 56 N -3.31 0.04 -3.70 4.77 0.00 -1.26 -4.79 117.38 109.12 1llr n GLN 56 Ca -0.01 0.11 -0.37 0.00 0.00 0.00 0.00 57.00 56.73 1llr n GLN 56 Cb 0.23 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 28.91 1llr n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1llr s HIS 57 N -2.95 3.63 0.52 2.61 3.76 -0.38 -5.10 115.29 117.37 1llr s HIS 57 Ca 0.12 0.71 -0.08 0.00 -0.15 0.00 0.00 55.06 55.65 1llr s HIS 57 Cb 0.15 -2.11 -0.04 0.00 1.11 0.00 0.00 32.58 31.68 1llr s HIS 57 CO 0.40 0.65 0.87 0.96 -0.85 0.00 0.00 174.74 176.77 1llr s ILE 58 N -0.88 4.81 0.27 0.60 -4.36 -1.26 -4.90 121.20 115.48 1llr s ILE 58 Ca 0.18 0.52 -0.00 0.00 -0.26 0.00 0.00 60.65 61.09 1llr s ILE 58 Cb -0.14 -3.84 0.25 0.00 1.25 0.00 0.00 42.46 39.98 1llr s ILE 58 CO 0.07 -0.90 1.79 -0.78 0.24 0.00 0.00 174.94 175.37 1llr h ASP 59 N 0.22 0.69 -0.04 4.36 3.58 -1.99 -0.85 116.42 122.39 1llr h ASP 59 Ca -0.46 0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.07 1llr h ASP 59 Cb 1.20 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 1llr h ASP 59 CO 0.62 0.33 0.07 0.77 -2.88 0.00 0.00 179.24 178.15 1llr h SER 60 N 0.76 0.00 1.55 2.28 4.64 -2.05 -0.80 113.55 119.94 1llr h SER 60 Ca 0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1llr h SER 60 Cb 0.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1llr h SER 60 CO -0.32 0.00 -0.02 1.56 -0.87 0.00 0.00 176.83 177.18 1llr h GLN 61 N 0.00 0.00 -0.07 4.77 4.20 -1.52 -3.36 115.11 119.13 1llr h GLN 61 Ca 0.02 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.74 1llr h GLN 61 Cb 0.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1llr h GLN 61 CO -0.00 0.02 0.01 0.87 -0.67 0.00 0.00 178.83 179.06 1llr h LYS 62 N 0.00 0.04 -0.60 1.46 1.79 -1.22 0.91 116.57 118.96 1llr h LYS 62 Ca -0.00 -0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1llr h LYS 62 Cb 0.80 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.41 1llr h LYS 62 CO 0.00 0.03 0.39 0.87 -1.08 0.00 0.00 179.45 179.66 1llr h LYS 63 N 0.04 0.75 -0.06 3.15 1.57 -1.75 -2.52 116.57 117.75 1llr h LYS 63 Ca 0.03 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1llr h LYS 63 Cb 0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1llr h LYS 63 CO -0.04 0.49 -0.60 0.00 -0.57 0.00 0.00 179.45 178.73 1llr h ALA 64 N 1.64 0.88 -0.44 3.86 0.00 -1.44 -0.69 119.26 123.07 1llr h ALA 64 Ca 0.23 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1llr h ALA 64 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1llr h ALA 64 CO -0.05 0.73 0.14 0.82 0.00 0.00 0.00 179.25 180.89 1llr h ILE 65 N 0.14 1.22 -0.68 0.00 2.04 -0.56 -0.39 117.51 119.27 1llr h ILE 65 Ca -0.01 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.06 1llr h ILE 65 Cb 1.10 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1llr h ILE 65 CO 0.09 0.26 0.19 -0.33 0.00 0.00 0.00 178.15 178.36 1llr h GLU 66 N 0.58 1.07 -0.55 2.37 4.39 -1.21 -1.88 114.58 119.34 1llr h GLU 66 Ca 0.14 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 1llr h GLU 66 Cb 0.26 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 1llr h GLU 66 CO -0.00 0.93 0.15 -0.09 -1.16 0.00 0.00 179.01 178.83 1llr h ARG 67 N 1.02 0.83 -0.44 2.33 2.43 -0.94 -1.91 114.38 117.71 1llr h ARG 67 Ca 0.22 -0.16 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 1llr h ARG 67 Cb 0.32 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1llr h ARG 67 CO -0.00 0.74 -0.20 1.98 -1.51 0.00 0.00 179.97 180.98 1llr h MET 68 N 0.81 0.86 -0.31 0.20 4.05 -0.56 0.62 114.93 120.59 1llr h MET 68 Ca 0.18 -0.34 -0.07 0.00 -0.28 0.00 0.00 59.70 59.19 1llr h MET 68 Cb 0.27 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 1llr h MET 68 CO -0.00 0.98 -0.10 0.87 0.23 0.00 0.00 176.91 178.89 1llr h LYS 69 N 0.75 0.51 -0.14 0.39 1.57 -1.04 0.14 116.57 118.75 1llr h LYS 69 Ca 0.11 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1llr h LYS 69 Cb 0.73 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1llr h LYS 69 CO 0.06 0.61 0.01 -0.44 -0.57 0.00 0.00 179.45 179.11 1llr h ASP 70 N 0.47 -0.04 -0.39 0.86 3.32 -0.62 -1.85 116.42 118.17 1llr h ASP 70 Ca 0.09 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1llr h ASP 70 Cb 0.46 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1llr h ASP 70 CO 0.03 0.00 0.25 0.74 -1.72 0.00 0.00 179.24 178.53 1llr h THR 71 N 0.06 1.07 -0.69 0.35 2.02 -0.37 -2.23 112.91 113.12 1llr h THR 71 Ca 0.07 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 1llr h THR 71 Cb 0.07 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1llr h THR 71 CO -0.11 0.09 0.20 -0.07 0.37 0.00 0.00 175.52 176.01 1llr h LEU 72 N 0.50 1.02 -0.09 2.58 3.38 -0.87 0.55 115.31 122.38 1llr h LEU 72 Ca 0.15 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1llr h LEU 72 Cb -0.03 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 1llr h LEU 72 CO -0.05 0.96 -0.14 -0.09 0.09 0.00 0.00 178.44 179.21 1llr h ARG 73 N 1.02 -0.19 -0.12 1.13 2.43 -1.22 -0.01 114.38 117.42 1llr h ARG 73 Ca 0.22 0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.24 1llr h ARG 73 Cb 0.32 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1llr h ARG 73 CO -0.00 -0.13 -0.63 0.97 -1.51 0.00 0.00 179.97 178.67 1llr h ILE 74 N -0.20 1.35 -0.63 1.20 6.09 -1.30 -0.63 117.51 123.40 1llr h ILE 74 Ca 0.08 -1.96 0.06 0.00 -1.37 0.00 0.00 64.86 61.67 1llr h ILE 74 Cb 0.31 1.94 -0.05 0.00 0.47 0.00 0.00 36.82 39.49 1llr h ILE 74 CO -0.21 0.59 0.34 0.00 -3.07 0.00 0.00 178.15 175.81 1llr h ALA 75 N 1.00 0.83 0.23 0.18 0.00 -0.78 0.41 119.26 121.14 1llr h ALA 75 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1llr h ALA 75 Cb 1.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1llr h ALA 75 CO 0.11 0.01 -0.21 -0.92 0.00 0.00 0.00 179.25 178.25 1llr h TYR 76 N 0.64 -0.54 0.00 0.00 3.20 -0.71 -1.09 116.97 118.47 1llr h TYR 76 Ca 0.28 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.09 1llr h TYR 76 Cb 0.17 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1llr h TYR 76 CO -0.08 -0.31 -0.28 -0.07 -1.64 0.00 0.00 178.16 175.77 1llr h LEU 77 N -0.46 0.00 -1.20 2.82 3.38 -0.85 -2.52 115.31 116.48 1llr h LEU 77 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1llr h LEU 77 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1llr h LEU 77 CO -0.03 0.28 -0.01 0.35 0.09 0.00 0.00 178.44 179.12 1llr n THR 78 N -3.84 0.00 -2.99 0.22 -2.24 0.11 -4.95 114.28 100.59 1llr n THR 78 Ca -0.02 -0.31 -0.22 0.00 -2.27 0.00 0.00 64.05 61.23 1llr n THR 78 Cb 0.37 0.76 0.03 0.00 -2.10 0.00 0.00 70.33 69.38 1llr n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1llr n GLU 79 N 0.46 -4.37 -2.16 -0.78 1.02 -0.50 -4.94 120.64 109.37 1llr n GLU 79 Ca 0.18 0.87 -0.41 0.00 -0.02 0.00 0.00 57.16 57.77 1llr n GLU 79 Cb 0.42 -5.69 -0.03 0.00 -0.02 0.00 0.00 31.44 26.12 1llr n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1llr s ALA 80 N -3.13 3.53 0.04 0.62 0.00 -0.69 -4.74 121.76 117.39 1llr s ALA 80 Ca 0.28 1.19 -0.30 0.00 0.00 0.00 0.00 51.96 53.12 1llr s ALA 80 Cb -0.13 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 1llr s ALA 80 CO 0.34 -0.58 1.36 0.21 0.00 0.00 0.00 175.76 177.09 1llr s LYS 81 N -0.82 4.32 -0.15 0.00 2.47 -1.26 -4.33 119.74 119.96 1llr s LYS 81 Ca 0.54 1.95 -0.22 0.00 -1.56 0.00 0.00 55.97 56.69 1llr s LYS 81 Cb -0.38 -3.45 -0.03 0.00 -1.46 0.00 0.00 37.83 32.51 1llr s LYS 81 CO 0.44 -0.49 0.65 0.08 0.16 0.00 0.00 175.35 176.20 1llr s VAL 82 N 1.85 5.03 -0.02 4.02 1.01 0.03 -3.44 120.40 128.88 1llr s VAL 82 Ca 0.63 1.27 -0.00 0.00 0.00 0.00 0.00 61.98 63.88 1llr s VAL 82 Cb -0.32 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.08 1llr s VAL 82 CO 0.28 0.17 -0.01 -0.08 0.00 0.00 0.00 175.10 175.46 1llr h GLU 83 N 7.18 0.00 -5.29 2.72 4.81 -0.98 0.31 114.58 123.32 1llr h GLU 83 Ca -0.35 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.49 1llr h GLU 83 Cb 1.16 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.37 1llr h GLU 83 CO 0.77 0.00 -0.74 0.15 -0.73 0.00 0.00 179.01 178.46 1llr s LYS 84 N -1.15 1.02 -0.04 1.92 1.02 -1.16 -0.79 119.74 120.56 1llr s LYS 84 Ca -0.01 -1.29 0.06 0.00 0.02 0.00 0.00 55.97 54.76 1llr s LYS 84 Cb 0.00 -0.81 -0.01 0.00 -0.52 0.00 0.00 37.83 36.49 1llr s LYS 84 CO 0.01 0.14 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.84 1llr s LEU 85 N -2.64 2.04 -0.28 3.17 1.43 -0.33 -0.74 118.68 121.32 1llr s LEU 85 Ca 0.11 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 1llr s LEU 85 Cb -0.03 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 1llr s LEU 85 CO 0.02 0.25 0.24 0.00 0.23 0.00 0.00 176.35 177.09 1llr s VAL 87 N 1.83 1.63 -0.20 0.00 -7.23 -0.30 -0.18 120.40 115.95 1llr s VAL 87 Ca 0.09 -2.12 -0.24 0.00 -1.81 0.00 0.00 61.98 57.90 1llr s VAL 87 Cb -0.16 -1.95 -0.01 0.00 0.56 0.00 0.00 36.38 34.81 1llr s VAL 87 CO 0.11 -0.58 0.77 0.26 -0.31 0.00 0.00 175.10 175.35 1llr s TRP 88 N -2.87 3.37 -0.77 2.82 0.51 0.12 -1.30 118.94 120.83 1llr s TRP 88 Ca 0.20 1.12 0.13 0.00 -2.12 0.00 0.00 56.10 55.42 1llr s TRP 88 Cb -0.01 -2.96 0.62 0.00 -0.81 0.00 0.00 33.47 30.31 1llr s TRP 88 CO 0.06 -0.27 1.48 0.27 -0.51 0.00 0.00 176.95 177.97 1llr n ASN 89 N 5.42 4.41 -1.71 2.95 6.94 -0.50 -1.69 115.26 131.09 1llr n ASN 89 Ca 0.03 -2.57 0.09 0.00 -0.02 0.00 0.00 54.58 52.10 1llr n ASN 89 Cb 0.49 -0.59 0.38 0.00 -2.36 0.00 0.00 39.78 37.69 1llr n ASN 89 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1llr n ASN 90 N 0.66 5.10 -4.11 0.53 6.94 -1.26 -4.95 115.26 118.18 1llr n ASN 90 Ca 0.22 -2.61 -0.12 0.00 -0.02 0.00 0.00 54.58 52.05 1llr n ASN 90 Cb 0.89 -0.62 -0.11 0.00 -2.36 0.00 0.00 39.78 37.58 1llr n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1llr s LYS 91 N -2.15 0.67 -0.10 -3.83 -0.14 -1.25 -5.09 119.74 107.84 1llr s LYS 91 Ca 0.52 -1.00 0.01 0.00 -1.36 0.00 0.00 55.97 54.14 1llr s LYS 91 Cb 0.36 -0.29 0.02 0.00 -1.68 0.00 0.00 37.83 36.24 1llr s LYS 91 CO 0.22 0.03 -0.12 0.99 -0.76 0.00 0.00 175.35 175.71 1llr s THR 92 N -2.29 1.23 0.97 2.17 2.01 -1.26 -3.14 115.64 115.33 1llr s THR 92 Ca -0.01 -0.47 -0.11 0.00 0.31 0.00 0.00 61.69 61.41 1llr s THR 92 Cb -0.04 -1.16 0.16 0.00 0.01 0.00 0.00 72.50 71.47 1llr s THR 92 CO -0.02 0.39 1.01 -0.81 -0.69 0.00 0.00 174.62 174.51 1llr n PRO 93 N 4.35 -0.81 -1.67 4.92 -0.04 -1.26 -5.04 135.00 135.44 1llr n PRO 93 Ca -0.18 -0.18 -0.40 0.00 -0.04 0.00 0.00 63.50 62.70 1llr n PRO 93 Cb 0.51 -2.27 0.03 0.00 -0.04 0.00 0.00 33.50 31.73 1llr n PRO 93 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1llr n HIS 94 N -4.32 1.69 -3.62 0.54 8.25 -1.19 -4.52 115.22 112.05 1llr n HIS 94 Ca 0.10 0.49 -0.36 0.00 -0.26 0.00 0.00 57.72 57.68 1llr n HIS 94 Cb 0.53 -2.29 -0.08 0.00 1.12 0.00 0.00 29.99 29.26 1llr n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1llr s ALA 95 N -1.30 3.62 0.06 -1.41 0.00 -0.68 -1.56 121.76 120.49 1llr s ALA 95 Ca 0.66 -0.67 -0.31 0.00 0.00 0.00 0.00 51.96 51.65 1llr s ALA 95 Cb -0.48 -2.33 -0.07 0.00 0.00 0.00 0.00 23.12 20.23 1llr s ALA 95 CO 0.54 -0.02 1.50 0.42 0.00 0.00 0.00 175.76 178.19 1llr s ILE 96 N 0.72 3.31 -0.16 0.00 1.01 -0.07 -0.71 121.20 125.30 1llr s ILE 96 Ca 0.11 0.80 0.05 0.00 0.00 0.00 0.00 60.65 61.61 1llr s ILE 96 Cb -0.13 -3.51 -0.13 0.00 0.01 0.00 0.00 42.46 38.69 1llr s ILE 96 CO 0.03 0.02 -0.09 0.00 0.00 0.00 0.00 174.94 174.89 1llr n ALA 97 N 5.03 1.63 -3.30 9.38 0.00 0.75 -4.81 120.51 129.19 1llr n ALA 97 Ca 0.14 -0.81 -0.12 0.00 0.00 0.00 0.00 53.44 52.65 1llr n ALA 97 Cb 0.42 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1llr n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1llr s ALA 98 N -2.35 -1.39 -0.00 0.00 0.00 -0.82 -4.98 121.76 112.22 1llr s ALA 98 Ca -0.18 0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.21 1llr s ALA 98 Cb 0.05 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 1llr s ALA 98 CO 0.46 -0.68 -0.10 -1.50 0.00 0.00 0.00 175.76 173.93 1llr s ILE 99 N -3.48 0.82 0.02 0.00 2.07 -1.26 -1.05 121.20 118.32 1llr s ILE 99 Ca 0.00 -0.52 0.09 0.00 -1.41 0.00 0.00 60.65 58.81 1llr s ILE 99 Cb -0.00 -0.70 -0.03 0.00 0.13 0.00 0.00 42.46 41.86 1llr s ILE 99 CO -0.10 0.18 -0.26 -0.94 -1.91 0.00 0.00 174.94 171.91 1llr s SER 100 N -0.38 3.05 -0.08 4.50 1.04 0.08 -5.01 113.70 116.90 1llr s SER 100 Ca 0.03 -0.54 0.04 0.00 0.48 0.00 0.00 55.95 55.96 1llr s SER 100 Cb -0.05 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.78 1llr s SER 100 CO -0.00 0.27 -0.19 -0.04 0.98 0.00 0.00 173.24 174.26 1llr s MET 101 N -1.00 2.43 -0.03 4.02 -1.94 -1.26 -0.44 119.30 121.08 1llr s MET 101 Ca 0.11 -0.70 -0.28 0.00 -1.71 0.00 0.00 55.69 53.11 1llr s MET 101 Cb -0.10 -1.91 0.06 0.00 2.01 0.00 0.00 34.83 34.89 1llr s MET 101 CO 0.01 0.15 0.61 0.00 -0.01 0.00 0.00 175.02 175.78 1llr s ALA 102 N 0.38 -1.58 0.00 3.03 0.00 -1.22 -4.86 121.76 117.51 1llr s ALA 102 Ca -0.15 1.10 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1llr s ALA 102 Cb -0.16 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1llr s ALA 102 CO 0.06 -0.37 0.00 0.09 0.00 0.00 0.00 175.76 175.54