#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 3.44 0.00 -2.82 0.04 -1.26 -4.95 135.00 129.45 1llr s PRO 2 Ca 0.00 -0.42 0.20 0.00 0.04 0.00 0.00 61.00 60.82 1llr s PRO 2 Cb 0.00 -3.04 -0.07 0.00 0.04 0.00 0.00 34.50 31.43 1llr s PRO 2 CO 0.00 0.61 0.95 1.04 0.04 0.00 0.00 177.00 179.65 1llr n GLN 3 N 0.35 1.14 -3.75 4.56 6.02 -1.26 -4.97 117.38 119.47 1llr n GLN 3 Ca -0.06 -0.65 -0.09 0.00 -0.01 0.00 0.00 57.00 56.20 1llr n GLN 3 Cb 0.51 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 30.33 1llr n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1llr s ASN 4 N -2.46 -0.32 0.36 1.08 2.20 -1.26 -5.06 114.94 109.49 1llr s ASN 4 Ca 0.14 -0.47 0.04 0.00 -0.94 0.00 0.00 52.86 51.63 1llr s ASN 4 Cb 0.16 0.66 0.70 0.00 -2.00 0.00 0.00 41.25 40.78 1llr s ASN 4 CO 0.60 -1.20 1.99 -0.29 -2.94 0.00 0.00 177.10 175.26 1llr h ILE 5 N 2.05 1.08 -0.36 0.54 2.10 -1.96 -2.13 117.51 118.84 1llr h ILE 5 Ca -0.25 -0.27 -0.03 0.00 1.08 0.00 0.00 64.86 65.40 1llr h ILE 5 Cb 1.27 0.23 -0.02 0.00 -1.09 0.00 0.00 36.82 37.21 1llr h ILE 5 CO 0.30 0.14 0.12 0.74 -1.08 0.00 0.00 178.15 178.37 1llr h THR 6 N 0.79 1.21 -0.71 2.19 2.02 -1.99 0.79 112.91 117.21 1llr h THR 6 Ca 0.27 -0.68 -0.06 0.00 0.77 0.00 0.00 66.41 66.70 1llr h THR 6 Cb 0.09 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1llr h THR 6 CO -0.08 0.24 0.19 0.44 0.37 0.00 0.00 175.52 176.68 1llr h ASP 7 N 0.44 1.06 -0.53 4.18 3.32 -1.94 -1.86 116.42 121.09 1llr h ASP 7 Ca 0.12 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.86 1llr h ASP 7 Cb 0.25 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1llr h ASP 7 CO -0.00 1.01 0.01 0.25 -1.72 0.00 0.00 179.24 178.78 1llr h LEU 8 N 1.06 0.91 -1.15 1.55 6.46 -1.23 -3.02 115.31 119.89 1llr h LEU 8 Ca 0.22 -0.30 -0.04 0.00 -0.12 0.00 0.00 57.88 57.64 1llr h LEU 8 Cb 0.35 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 1llr h LEU 8 CO -0.00 0.99 0.16 0.00 -0.62 0.00 0.00 178.44 178.97 1llr h ALA 10 N 1.43 1.00 0.00 0.00 0.00 -1.21 -2.51 119.26 117.98 1llr h ALA 10 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1llr h ALA 10 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1llr h ALA 10 CO -0.01 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.63 1llr n GLU 11 N -2.74 0.21 -4.36 0.00 1.02 -0.77 -4.85 120.64 109.16 1llr n GLU 11 Ca -0.01 0.36 -0.29 0.00 -0.02 0.00 0.00 57.16 57.19 1llr n GLU 11 Cb 0.12 -1.84 -0.12 0.00 -0.02 0.00 0.00 31.44 29.58 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 -3.25 2.50 0.56 -0.32 1.51 -0.95 -5.13 117.35 112.27 1llr s TYR 12 Ca 0.06 -0.28 -0.15 0.00 -1.01 0.00 0.00 57.07 55.68 1llr s TYR 12 Cb 0.10 -1.34 -0.06 0.00 -0.11 0.00 0.00 41.96 40.55 1llr s TYR 12 CO 0.45 0.36 1.01 -1.01 -1.11 0.00 0.00 175.55 175.26 1llr s HIS 13 N -1.10 3.34 -1.21 2.71 3.76 -1.26 -4.03 115.29 117.50 1llr s HIS 13 Ca 0.17 1.45 -0.05 0.00 -0.15 0.00 0.00 55.06 56.48 1llr s HIS 13 Cb -0.10 -2.84 0.01 0.00 1.11 0.00 0.00 32.58 30.75 1llr s HIS 13 CO 0.09 -0.63 0.64 0.09 -0.85 0.00 0.00 174.74 174.07 1llr n ASN 14 N -1.90 -5.35 -4.45 1.40 3.02 -1.26 -4.94 115.26 101.77 1llr n ASN 14 Ca 0.07 -0.29 -0.24 0.00 -0.03 0.00 0.00 54.58 54.09 1llr n ASN 14 Cb 0.54 -4.12 -0.10 0.00 -0.61 0.00 0.00 39.78 35.49 1llr n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1llr s THR 15 N -3.12 2.41 0.11 3.41 -4.23 -1.26 -0.87 115.64 112.10 1llr s THR 15 Ca 0.31 -2.34 -0.14 0.00 -1.18 0.00 0.00 61.69 58.35 1llr s THR 15 Cb -0.14 -2.25 0.02 0.00 1.34 0.00 0.00 72.50 71.47 1llr s THR 15 CO 0.39 -0.37 0.34 0.00 -0.54 0.00 0.00 174.62 174.44 1llr s GLN 16 N -3.38 0.99 -0.16 3.99 -2.07 -0.34 -4.89 119.66 113.80 1llr s GLN 16 Ca 0.28 -0.76 -0.12 0.00 -1.82 0.00 0.00 55.36 52.94 1llr s GLN 16 Cb -0.05 0.43 -0.05 0.00 -1.09 0.00 0.00 33.01 32.25 1llr s GLN 16 CO 0.14 -0.37 0.24 0.42 -1.32 0.00 0.00 175.29 174.40 1llr s ILE 17 N -3.74 5.34 -0.13 3.63 -1.09 -1.26 -1.12 121.20 122.82 1llr s ILE 17 Ca 0.03 0.44 -0.02 0.00 -2.23 0.00 0.00 60.65 58.86 1llr s ILE 17 Cb 0.03 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.31 1llr s ILE 17 CO -0.11 0.44 -0.05 -1.00 -1.23 0.00 0.00 174.94 172.99 1llr s HIS 18 N 0.17 2.99 -0.31 3.97 3.76 -0.14 -4.99 115.29 120.74 1llr s HIS 18 Ca 0.15 -0.26 -0.09 0.00 -0.15 0.00 0.00 55.06 54.71 1llr s HIS 18 Cb -0.13 -1.90 0.00 0.00 1.11 0.00 0.00 32.58 31.67 1llr s HIS 18 CO 0.03 0.03 0.13 0.99 -0.85 0.00 0.00 174.74 175.07 1llr s THR 19 N 0.11 4.34 -0.26 1.30 2.01 -1.26 -1.07 115.64 120.81 1llr s THR 19 Ca -0.02 -0.59 -0.13 0.00 0.31 0.00 0.00 61.69 61.26 1llr s THR 19 Cb -0.14 -3.25 -0.15 0.00 0.01 0.00 0.00 72.50 68.97 1llr s THR 19 CO 0.03 0.03 -0.20 0.18 -0.69 0.00 0.00 174.62 173.97 1llr n LEU 20 N 4.94 2.11 -4.19 4.42 7.99 0.11 -5.01 117.00 127.36 1llr n LEU 20 Ca -0.14 0.29 -0.33 0.00 -0.01 0.00 0.00 56.01 55.82 1llr n LEU 20 Cb 0.48 -0.87 -0.06 0.00 -0.11 0.00 0.00 43.42 42.86 1llr n LEU 20 CO 0.33 0.58 -0.36 0.59 -1.51 0.00 0.00 177.39 177.02 1llr n ASN 21 N -4.12 -0.44 -3.56 -1.43 3.02 0.08 -4.95 115.26 103.86 1llr n ASN 21 Ca -0.48 -1.23 -0.11 0.00 -0.03 0.00 0.00 54.58 52.72 1llr n ASN 21 Cb 0.87 -1.91 -0.04 0.00 -0.61 0.00 0.00 39.78 38.09 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 -4.19 -0.37 0.70 6.41 2.15 -0.82 -4.89 116.67 115.66 1llr s ASP 22 Ca 0.11 -0.14 -0.11 0.00 0.43 0.00 0.00 52.55 52.84 1llr s ASP 22 Cb -0.06 0.51 0.01 0.00 -0.30 0.00 0.00 42.92 43.09 1llr s ASP 22 CO 0.97 -0.87 1.06 -1.59 -0.17 0.00 0.00 175.17 174.58 1llr s LYS 23 N -3.56 2.87 0.18 4.34 -2.85 -1.26 -0.69 119.74 118.77 1llr s LYS 23 Ca 0.01 0.85 -0.30 0.00 -1.00 0.00 0.00 55.97 55.53 1llr s LYS 23 Cb 0.01 -1.99 -0.09 0.00 -2.06 0.00 0.00 37.83 33.70 1llr s LYS 23 CO -0.11 -1.12 1.35 0.42 0.10 0.00 0.00 175.35 175.99 1llr s ILE 24 N -3.10 3.16 -0.06 3.79 1.01 -1.26 -4.69 121.20 120.05 1llr s ILE 24 Ca 0.58 0.92 -0.24 0.00 0.00 0.00 0.00 60.65 61.92 1llr s ILE 24 Cb -0.14 -3.59 -0.29 0.00 0.01 0.00 0.00 42.46 38.46 1llr s ILE 24 CO 0.55 0.12 0.89 0.15 0.00 0.00 0.00 174.94 176.65 1llr h PHE 25 N 5.71 0.40 -3.74 3.97 3.57 -1.01 -3.48 116.94 122.37 1llr h PHE 25 Ca -0.44 -0.28 -0.17 0.00 3.53 0.00 0.00 57.97 60.61 1llr h PHE 25 Cb 1.21 -0.02 -0.22 0.00 2.79 0.00 0.00 35.95 39.71 1llr h PHE 25 CO 0.63 1.20 -0.61 -1.54 -2.23 0.00 0.00 178.31 175.75 1llr s SER 26 N -6.73 0.12 -0.11 0.41 1.04 -1.08 -4.98 113.70 102.36 1llr s SER 26 Ca -0.15 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 55.99 1llr s SER 26 Cb 0.00 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.29 1llr s SER 26 CO 0.79 -0.29 -0.12 -0.47 0.98 0.00 0.00 173.24 174.13 1llr s TYR 27 N -1.22 1.82 -0.02 5.02 5.04 -1.26 -1.81 117.35 124.91 1llr s TYR 27 Ca -0.13 -0.90 0.06 0.00 -2.44 0.00 0.00 57.07 53.66 1llr s TYR 27 Cb -0.08 -1.37 -0.01 0.00 0.35 0.00 0.00 41.96 40.85 1llr s TYR 27 CO 0.00 -0.51 -0.21 0.99 -1.34 0.00 0.00 175.55 174.48 1llr s THR 28 N 1.28 1.64 0.02 4.34 2.01 0.05 -5.01 115.64 119.98 1llr s THR 28 Ca -0.01 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.09 1llr s THR 28 Cb -0.14 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 1llr s THR 28 CO -0.05 0.46 0.01 -1.83 -0.69 0.00 0.00 174.62 172.53 1llr s GLU 29 N -0.39 0.38 0.03 4.92 -1.05 -1.26 -0.80 118.70 120.54 1llr s GLU 29 Ca 0.05 -0.61 0.04 0.00 -0.15 0.00 0.00 54.97 54.31 1llr s GLU 29 Cb -0.09 0.14 -0.02 0.00 -0.44 0.00 0.00 34.13 33.72 1llr s GLU 29 CO -0.00 -0.07 -0.12 0.45 0.95 0.00 0.00 175.26 176.46 1llr s SER 30 N -1.57 1.45 0.00 0.83 0.15 -0.72 -5.01 113.70 108.84 1llr s SER 30 Ca -0.14 -0.40 0.08 0.00 0.70 0.00 0.00 55.95 56.19 1llr s SER 30 Cb -0.08 -0.10 0.20 0.00 -1.71 0.00 0.00 66.02 64.34 1llr s SER 30 CO -0.01 0.03 1.14 0.00 1.20 0.00 0.00 173.24 175.60 1llr n LEU 31 N 2.07 2.57 -4.77 3.45 -0.00 -1.26 -3.22 117.00 115.84 1llr n LEU 31 Ca -0.17 -1.90 -0.37 0.00 -0.00 0.00 0.00 56.01 53.56 1llr n LEU 31 Cb 0.55 -0.15 -0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1llr n LEU 31 CO 0.23 0.63 0.84 0.00 -0.00 0.00 0.00 177.39 179.10 1llr s ALA 32 N -0.97 2.93 0.23 1.47 0.00 -1.26 -4.84 121.76 119.32 1llr s ALA 32 Ca 0.16 0.97 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 1llr s ALA 32 Cb 0.08 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 1llr s ALA 32 CO 0.11 -0.75 1.45 0.20 0.00 0.00 0.00 175.76 176.78 1llr s GLY 33 N -1.35 2.18 0.00 0.00 0.00 -1.26 -1.10 107.32 105.79 1llr s GLY 33 Ca 0.65 1.32 0.00 0.00 0.00 0.00 0.00 44.72 46.69 1llr s GLY 33 CO 0.35 2.34 0.00 0.28 0.00 0.00 0.00 173.10 176.07 1llr n LYS 34 N 2.69 -1.04 -2.24 2.90 4.76 -1.26 -4.81 118.16 119.16 1llr n LYS 34 Ca 0.08 0.26 -0.04 0.00 -2.87 0.00 0.00 58.31 55.74 1llr n LYS 34 Cb 0.40 -4.05 0.05 0.00 -1.84 0.00 0.00 35.03 29.59 1llr n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1llr n ARG 35 N -0.90 1.80 -2.65 1.97 5.12 -0.26 -4.96 116.66 116.78 1llr n ARG 35 Ca 0.00 -3.35 -0.42 0.00 -1.93 0.00 0.00 57.85 52.15 1llr n ARG 35 Cb 0.26 -1.45 -0.02 0.00 -1.16 0.00 0.00 32.46 30.08 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 -3.01 3.67 0.22 5.56 8.01 -1.18 -4.35 118.70 127.62 1llr s GLU 36 Ca 0.34 -1.43 -0.09 0.00 0.01 0.00 0.00 54.97 53.80 1llr s GLU 36 Cb 0.36 -5.28 -0.01 0.00 -4.31 0.00 0.00 34.13 24.88 1llr s GLU 36 CO -0.05 -2.11 0.35 0.00 0.01 0.00 0.00 175.26 173.46 1llr s MET 37 N 4.27 1.38 0.11 1.61 0.23 -1.20 -4.18 119.30 121.53 1llr s MET 37 Ca 0.44 -1.32 0.07 0.00 -1.03 0.00 0.00 55.69 53.86 1llr s MET 37 Cb -0.01 0.40 -0.04 0.00 -1.53 0.00 0.00 34.83 33.66 1llr s MET 37 CO -0.07 -0.53 -0.18 0.00 -2.03 0.00 0.00 175.02 172.21 1llr s ALA 38 N -4.04 1.67 -0.03 3.16 0.00 -1.16 -1.75 121.76 119.61 1llr s ALA 38 Ca 0.25 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1llr s ALA 38 Cb 0.02 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1llr s ALA 38 CO 0.08 0.25 -0.02 0.42 0.00 0.00 0.00 175.76 176.48 1llr s ILE 39 N -1.57 0.34 0.15 0.00 1.01 0.02 -0.97 121.20 120.19 1llr s ILE 39 Ca 0.07 -0.04 0.11 0.00 0.00 0.00 0.00 60.65 60.79 1llr s ILE 39 Cb -0.08 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 1llr s ILE 39 CO 0.04 0.17 -0.25 0.27 0.00 0.00 0.00 174.94 175.16 1llr s ILE 40 N 0.78 2.23 0.16 2.92 -4.36 0.12 -0.77 121.20 122.29 1llr s ILE 40 Ca -0.09 -1.83 0.03 0.00 -0.26 0.00 0.00 60.65 58.50 1llr s ILE 40 Cb -0.12 -2.00 -0.05 0.00 1.25 0.00 0.00 42.46 41.54 1llr s ILE 40 CO -0.01 0.01 -0.05 0.42 0.24 0.00 0.00 174.94 175.55 1llr s THR 41 N -1.28 0.92 0.27 8.37 -4.23 -0.75 -0.57 115.64 118.37 1llr s THR 41 Ca 0.15 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 58.76 1llr s THR 41 Cb -0.09 -1.99 -0.05 0.00 1.34 0.00 0.00 72.50 71.72 1llr s THR 41 CO 0.07 -0.62 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.09 1llr s PHE 42 N -3.49 2.54 -0.61 3.99 0.08 -0.29 -0.35 117.98 119.85 1llr s PHE 42 Ca 0.20 -0.26 0.18 0.00 0.12 0.00 0.00 56.93 57.17 1llr s PHE 42 Cb 0.05 -1.12 0.81 0.00 -0.57 0.00 0.00 43.02 42.19 1llr s PHE 42 CO 0.02 0.66 1.55 0.36 -0.10 0.00 0.00 175.22 177.71 1llr n LYS 43 N -0.78 0.11 0.00 0.44 2.85 -1.26 -1.01 118.16 118.50 1llr n LYS 43 Ca -0.06 0.43 0.14 0.00 -1.05 0.00 0.00 58.31 57.78 1llr n LYS 43 Cb 0.59 -1.75 0.78 0.00 -0.65 0.00 0.00 35.03 34.00 1llr n LYS 43 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1llr n ASN 44 N -1.97 0.00 0.00 -5.58 0.23 -1.26 -4.89 115.26 101.79 1llr n ASN 44 Ca 0.01 -0.53 0.00 0.00 -0.53 0.00 0.00 54.58 53.53 1llr n ASN 44 Cb 0.15 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1llr n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1llr n GLY 45 N 0.93 0.59 3.76 4.83 0.00 -0.18 -5.05 105.19 110.06 1llr n GLY 45 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.33 3.50 -0.04 4.61 0.00 -1.25 -4.78 121.76 121.47 1llr s ALA 46 Ca 0.00 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.20 1llr s ALA 46 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1llr s ALA 46 CO 0.00 -0.59 -0.14 0.99 0.00 0.00 0.00 175.76 176.03 1llr s THR 47 N -0.89 1.17 0.06 0.00 2.01 -1.26 -1.13 115.64 115.59 1llr s THR 47 Ca 0.50 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.97 1llr s THR 47 Cb -0.39 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1llr s THR 47 CO 0.49 0.35 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.32 1llr s PHE 48 N 0.23 0.81 0.22 4.92 0.08 0.26 -3.98 117.98 120.52 1llr s PHE 48 Ca -0.06 -0.59 0.11 0.00 0.12 0.00 0.00 56.93 56.50 1llr s PHE 48 Cb -0.12 -0.47 -0.04 0.00 -0.57 0.00 0.00 43.02 41.82 1llr s PHE 48 CO 0.02 -0.07 -0.16 1.14 -0.10 0.00 0.00 175.22 176.05 1llr s GLN 49 N -2.16 1.81 -0.37 0.44 -2.07 -0.51 -0.71 119.66 116.09 1llr s GLN 49 Ca -0.03 -1.49 -0.13 0.00 -1.82 0.00 0.00 55.36 51.89 1llr s GLN 49 Cb -0.06 -1.96 0.01 0.00 -1.09 0.00 0.00 33.01 29.91 1llr s GLN 49 CO -0.00 0.39 0.24 0.08 -1.32 0.00 0.00 175.29 174.67 1llr s VAL 50 N -1.95 4.97 0.78 3.63 1.01 -0.14 -0.55 120.40 128.15 1llr s VAL 50 Ca 0.25 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 1llr s VAL 50 Cb -0.07 -3.69 0.07 0.00 0.00 0.00 0.00 36.38 32.69 1llr s VAL 50 CO 0.14 -0.16 1.20 -1.61 0.00 0.00 0.00 175.10 174.67 1llr s GLU 51 N 1.64 1.82 0.27 2.72 2.02 -1.26 -3.00 118.70 122.92 1llr s GLU 51 Ca 0.04 1.75 -0.30 0.00 0.02 0.00 0.00 54.97 56.48 1llr s GLU 51 Cb -0.18 -1.80 -0.11 0.00 0.10 0.00 0.00 34.13 32.14 1llr s GLU 51 CO 0.09 -2.07 1.58 0.08 0.02 0.00 0.00 175.26 174.95 1llr s VAL 52 N -2.10 2.18 0.14 2.63 1.01 -1.26 -4.86 120.40 118.14 1llr s VAL 52 Ca 0.73 0.15 -0.33 0.00 0.00 0.00 0.00 61.98 62.53 1llr s VAL 52 Cb -0.29 -3.09 -0.12 0.00 0.00 0.00 0.00 36.38 32.88 1llr s VAL 52 CO 0.49 0.02 1.71 -2.65 0.00 0.00 0.00 175.10 174.67 1llr n PRO 53 N 2.45 2.50 -1.44 2.72 -0.02 -1.26 -4.97 135.00 134.97 1llr n PRO 53 Ca 0.09 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1llr n PRO 53 Cb 0.38 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 1llr n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1llr n GLY 54 N 3.87 3.71 0.00 -1.23 0.00 -1.26 -5.04 105.19 105.24 1llr n GLY 54 Ca 0.17 -1.45 0.08 0.00 0.00 0.00 0.00 46.02 44.82 1llr n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1llr n SER 55 N -2.06 0.00 0.23 1.61 3.41 -1.26 -1.71 113.62 113.84 1llr n SER 55 Ca 0.00 0.20 0.12 0.00 -0.26 0.00 0.00 58.87 58.93 1llr n SER 55 Cb 0.00 -0.36 0.40 0.00 -0.26 0.00 0.00 64.21 64.00 1llr n SER 55 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1llr h GLN 56 N 0.00 0.00 -5.60 4.33 -0.00 -1.97 -3.44 115.11 108.43 1llr h GLN 56 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 58.65 58.05 1llr h GLN 56 Cb 0.20 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 27.59 1llr h GLN 56 CO 0.00 0.12 -0.32 -1.01 -0.00 0.00 0.00 178.83 177.62 1llr s HIS 57 N -3.46 3.52 0.73 0.06 3.76 -0.69 -5.09 115.29 114.11 1llr s HIS 57 Ca 0.03 0.66 -0.11 0.00 -0.15 0.00 0.00 55.06 55.49 1llr s HIS 57 Cb 0.08 -2.29 0.03 0.00 1.11 0.00 0.00 32.58 31.51 1llr s HIS 57 CO 0.63 0.36 1.10 0.96 -0.85 0.00 0.00 174.74 176.94 1llr s ILE 58 N 0.05 3.06 0.28 0.60 -4.36 -1.26 -4.87 121.20 114.70 1llr s ILE 58 Ca 0.18 0.30 0.02 0.00 -0.26 0.00 0.00 60.65 60.88 1llr s ILE 58 Cb -0.13 -3.33 0.28 0.00 1.25 0.00 0.00 42.46 40.52 1llr s ILE 58 CO 0.06 -0.43 1.81 0.44 0.24 0.00 0.00 174.94 177.06 1llr h ASP 59 N -0.73 0.85 0.93 4.36 3.32 -1.98 -0.76 116.42 122.40 1llr h ASP 59 Ca -0.45 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1llr h ASP 59 Cb 1.28 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1llr h ASP 59 CO 0.64 0.41 0.00 0.77 -1.72 0.00 0.00 179.24 179.34 1llr h SER 60 N 0.90 0.00 1.96 6.45 4.64 -2.04 -1.70 113.55 123.75 1llr h SER 60 Ca 0.51 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.82 1llr h SER 60 Cb 0.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1llr h SER 60 CO -0.30 0.00 -0.03 1.56 -0.87 0.00 0.00 176.83 177.19 1llr h GLN 61 N 0.00 0.00 -0.39 4.77 4.20 -1.50 -3.35 115.11 118.84 1llr h GLN 61 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1llr h GLN 61 Cb 0.46 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1llr h GLN 61 CO 0.00 0.03 0.24 0.87 -0.67 0.00 0.00 178.83 179.30 1llr h LYS 62 N 0.00 0.47 -0.83 1.46 1.79 -1.32 0.15 116.57 118.30 1llr h LYS 62 Ca -0.00 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 1llr h LYS 62 Cb 1.02 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.53 1llr h LYS 62 CO 0.00 0.31 0.36 1.57 -1.08 0.00 0.00 179.45 180.61 1llr h LYS 63 N 0.48 1.21 -0.04 3.15 2.10 -1.73 -2.72 116.57 119.03 1llr h LYS 63 Ca 0.15 -0.20 -0.12 0.00 -2.00 0.00 0.00 60.65 58.48 1llr h LYS 63 Cb -0.02 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 31.09 1llr h LYS 63 CO -0.05 0.96 -0.51 0.00 -2.00 0.00 0.00 179.45 177.85 1llr h ALA 64 N 1.19 1.07 -0.51 0.07 0.00 -1.49 -1.45 119.26 118.15 1llr h ALA 64 Ca 0.28 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1llr h ALA 64 Cb 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1llr h ALA 64 CO -0.03 0.65 0.26 0.82 0.00 0.00 0.00 179.25 180.95 1llr h ILE 65 N 0.09 1.19 -0.34 0.00 2.04 -0.48 0.19 117.51 120.20 1llr h ILE 65 Ca 0.00 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1llr h ILE 65 Cb 0.93 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1llr h ILE 65 CO 0.07 0.21 0.19 -0.33 0.00 0.00 0.00 178.15 178.29 1llr h GLU 66 N 0.69 0.47 -0.85 2.37 4.39 -1.17 -2.25 114.58 118.22 1llr h GLU 66 Ca 0.18 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1llr h GLU 66 Cb 0.10 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 1llr h GLU 66 CO -0.02 0.38 0.48 -0.09 -1.16 0.00 0.00 179.01 178.60 1llr h ARG 67 N 0.43 1.17 -0.82 2.33 2.43 -1.05 -2.15 114.38 116.71 1llr h ARG 67 Ca 0.12 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1llr h ARG 67 Cb 0.05 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 1llr h ARG 67 CO -0.02 0.85 0.42 1.98 -1.51 0.00 0.00 179.97 181.69 1llr h MET 68 N 1.18 1.16 -0.71 0.20 4.05 -0.56 0.11 114.93 120.36 1llr h MET 68 Ca 0.30 -0.15 -0.03 0.00 -0.28 0.00 0.00 59.70 59.54 1llr h MET 68 Cb 0.01 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 30.55 1llr h MET 68 CO -0.05 0.87 0.32 0.87 0.23 0.00 0.00 176.91 179.14 1llr h LYS 69 N 1.16 1.03 -0.32 0.39 1.57 -1.11 0.58 116.57 119.88 1llr h LYS 69 Ca 0.29 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1llr h LYS 69 Cb 0.07 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 1llr h LYS 69 CO -0.04 0.82 0.08 -0.44 -0.57 0.00 0.00 179.45 179.30 1llr h ASP 70 N 1.02 0.06 -0.59 0.86 3.32 -0.73 -2.01 116.42 118.36 1llr h ASP 70 Ca 0.24 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.30 1llr h ASP 70 Cb 0.14 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1llr h ASP 70 CO -0.03 0.07 0.20 0.74 -1.72 0.00 0.00 179.24 178.50 1llr h THR 71 N 0.21 1.24 -0.50 0.35 2.02 -0.15 -2.04 112.91 114.04 1llr h THR 71 Ca 0.15 -0.78 -0.12 0.00 0.77 0.00 0.00 66.41 66.43 1llr h THR 71 Cb 0.14 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1llr h THR 71 CO -0.17 0.30 -0.15 -0.07 0.37 0.00 0.00 175.52 175.80 1llr h LEU 72 N 0.82 0.96 -0.10 2.58 3.38 -0.80 0.30 115.31 122.45 1llr h LEU 72 Ca 0.19 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1llr h LEU 72 Cb 0.26 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1llr h LEU 72 CO -0.01 1.10 -0.06 -0.09 0.09 0.00 0.00 178.44 179.47 1llr h ARG 73 N 0.84 -0.05 -0.00 1.13 2.43 -1.18 -0.03 114.38 117.51 1llr h ARG 73 Ca 0.13 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.15 1llr h ARG 73 Cb 0.70 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1llr h ARG 73 CO 0.05 -0.03 -0.70 0.97 -1.51 0.00 0.00 179.97 178.75 1llr h ILE 74 N -0.05 1.50 -0.47 1.20 2.10 -1.22 -0.81 117.51 119.75 1llr h ILE 74 Ca 0.06 -2.38 -0.00 0.00 1.08 0.00 0.00 64.86 63.62 1llr h ILE 74 Cb 0.14 2.28 -0.02 0.00 -1.09 0.00 0.00 36.82 38.13 1llr h ILE 74 CO -0.13 0.68 0.28 0.00 -1.08 0.00 0.00 178.15 177.90 1llr h ALA 75 N 1.28 0.60 0.17 0.18 0.00 -0.83 -0.34 119.26 120.31 1llr h ALA 75 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1llr h ALA 75 Cb 1.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1llr h ALA 75 CO 0.09 0.08 -0.15 -0.92 0.00 0.00 0.00 179.25 178.35 1llr h TYR 76 N 0.62 -0.39 -0.05 0.00 3.20 -0.67 -0.89 116.97 118.79 1llr h TYR 76 Ca 0.17 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 1llr h TYR 76 Cb -0.01 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1llr h TYR 76 CO -0.03 -0.23 -0.20 -0.07 -1.64 0.00 0.00 178.16 175.98 1llr h LEU 77 N -0.34 0.07 -0.66 2.82 3.38 -0.88 -2.28 115.31 117.43 1llr h LEU 77 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1llr h LEU 77 Cb 0.32 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1llr h LEU 77 CO -0.03 0.29 -0.18 0.35 0.09 0.00 0.00 178.44 178.96 1llr n THR 78 N -4.26 0.00 -2.28 0.22 -2.24 -0.16 -4.94 114.28 100.61 1llr n THR 78 Ca -0.02 -0.17 -0.18 0.00 -2.27 0.00 0.00 64.05 61.41 1llr n THR 78 Cb 0.29 0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 68.96 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 -0.36 -1.43 -2.01 -0.78 1.02 -0.45 -4.94 120.64 111.69 1llr n GLU 79 Ca 0.14 0.90 -0.40 0.00 -0.02 0.00 0.00 57.16 57.78 1llr n GLU 79 Cb 0.35 -5.39 -0.01 0.00 -0.02 0.00 0.00 31.44 26.37 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 -2.89 3.46 0.06 0.62 0.00 -0.56 -4.71 121.76 117.74 1llr s ALA 80 Ca 0.00 1.35 -0.31 0.00 0.00 0.00 0.00 51.96 53.00 1llr s ALA 80 Cb 0.00 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.53 1llr s ALA 80 CO 0.00 -0.81 1.49 0.21 0.00 0.00 0.00 175.76 176.65 1llr s LYS 81 N -1.99 4.26 -0.14 0.00 2.20 -1.26 -4.24 119.74 118.57 1llr s LYS 81 Ca 0.52 2.14 -0.20 0.00 -0.36 0.00 0.00 55.97 58.06 1llr s LYS 81 Cb -0.41 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.39 1llr s LYS 81 CO 0.55 -0.60 0.59 0.08 -0.36 0.00 0.00 175.35 175.61 1llr s VAL 82 N 2.10 5.09 -0.04 4.02 1.01 0.13 -3.10 120.40 129.60 1llr s VAL 82 Ca 0.68 1.15 -0.02 0.00 0.00 0.00 0.00 61.98 63.79 1llr s VAL 82 Cb -0.36 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 1llr s VAL 82 CO 0.29 0.21 -0.03 -0.08 0.00 0.00 0.00 175.10 175.50 1llr h GLU 83 N 7.08 0.00 -5.10 2.72 4.81 -0.95 0.43 114.58 123.57 1llr h GLU 83 Ca -0.37 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.52 1llr h GLU 83 Cb 1.17 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.39 1llr h GLU 83 CO 0.76 0.00 -0.73 0.15 -0.73 0.00 0.00 179.01 178.46 1llr s LYS 84 N -1.33 1.00 -0.07 1.92 1.02 -1.16 -0.72 119.74 120.40 1llr s LYS 84 Ca -0.03 -1.34 0.05 0.00 0.02 0.00 0.00 55.97 54.68 1llr s LYS 84 Cb 0.00 -0.64 -0.00 0.00 -0.52 0.00 0.00 37.83 36.66 1llr s LYS 84 CO 0.04 0.09 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.82 1llr s LEU 85 N -2.86 2.04 -0.24 3.17 1.43 -0.23 -1.19 118.68 120.80 1llr s LEU 85 Ca 0.12 -0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 52.55 1llr s LEU 85 Cb -0.00 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 1llr s LEU 85 CO 0.01 0.19 0.44 0.00 0.23 0.00 0.00 176.35 177.23 1llr s VAL 87 N 1.93 1.66 -0.01 0.00 -7.23 -0.28 -0.10 120.40 116.37 1llr s VAL 87 Ca 0.19 -1.99 -0.23 0.00 -1.81 0.00 0.00 61.98 58.13 1llr s VAL 87 Cb -0.15 -1.85 -0.05 0.00 0.56 0.00 0.00 36.38 34.88 1llr s VAL 87 CO 0.09 -0.46 0.69 0.26 -0.31 0.00 0.00 175.10 175.37 1llr s TRP 88 N -2.48 3.66 -1.20 2.82 0.51 0.31 -1.20 118.94 121.36 1llr s TRP 88 Ca 0.17 1.31 0.16 0.00 -2.12 0.00 0.00 56.10 55.63 1llr s TRP 88 Cb -0.03 -2.75 0.51 0.00 -0.81 0.00 0.00 33.47 30.39 1llr s TRP 88 CO 0.06 0.23 1.43 0.27 -0.51 0.00 0.00 176.95 178.43 1llr n ASN 89 N 3.14 3.71 -1.89 2.95 0.23 -0.05 -1.91 115.26 121.44 1llr n ASN 89 Ca -0.03 -2.19 0.07 0.00 -0.53 0.00 0.00 54.58 51.90 1llr n ASN 89 Cb 0.51 -0.41 0.41 0.00 -2.08 0.00 0.00 39.78 38.21 1llr n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1llr n ASN 90 N 0.87 5.74 -3.99 0.53 6.94 -1.26 -4.87 115.26 119.21 1llr n ASN 90 Ca 0.19 -2.93 -0.10 0.00 -0.02 0.00 0.00 54.58 51.73 1llr n ASN 90 Cb 0.63 -0.68 -0.11 0.00 -2.36 0.00 0.00 39.78 37.25 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 -2.75 0.35 -0.09 -3.83 -0.14 -1.26 -5.10 119.74 106.91 1llr s LYS 91 Ca 0.55 -0.64 0.02 0.00 -1.36 0.00 0.00 55.97 54.54 1llr s LYS 91 Cb 0.42 0.04 0.01 0.00 -1.68 0.00 0.00 37.83 36.62 1llr s LYS 91 CO 0.16 -0.03 -0.15 0.99 -0.76 0.00 0.00 175.35 175.56 1llr s THR 92 N -1.45 1.42 0.80 2.17 2.01 -1.26 -2.94 115.64 116.39 1llr s THR 92 Ca -0.15 -0.62 -0.15 0.00 0.31 0.00 0.00 61.69 61.09 1llr s THR 92 Cb -0.10 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.13 1llr s THR 92 CO -0.01 0.42 0.74 -2.65 -0.69 0.00 0.00 174.62 172.44 1llr n PRO 93 N 4.03 0.16 -1.68 4.92 -0.02 -1.26 -5.04 135.00 136.11 1llr n PRO 93 Ca -0.20 0.11 -0.42 0.00 -2.02 0.00 0.00 63.50 60.97 1llr n PRO 93 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1llr n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1llr n HIS 94 N -2.93 2.00 -3.46 6.00 8.25 -1.15 -4.49 115.22 119.44 1llr n HIS 94 Ca 0.11 0.55 -0.38 0.00 -0.26 0.00 0.00 57.72 57.74 1llr n HIS 94 Cb 0.51 -2.36 -0.08 0.00 1.12 0.00 0.00 29.99 29.17 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 -1.14 3.57 0.15 -1.41 0.00 -0.80 -1.42 121.76 120.70 1llr s ALA 95 Ca 0.58 -0.66 -0.31 0.00 0.00 0.00 0.00 51.96 51.58 1llr s ALA 95 Cb -0.56 -2.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.92 1llr s ALA 95 CO 0.60 -0.31 1.36 0.42 0.00 0.00 0.00 175.76 177.83 1llr s ILE 96 N 1.33 3.24 -0.12 0.00 1.01 0.29 -0.53 121.20 126.41 1llr s ILE 96 Ca 0.15 0.94 0.05 0.00 0.00 0.00 0.00 60.65 61.80 1llr s ILE 96 Cb -0.14 -3.60 -0.11 0.00 0.01 0.00 0.00 42.46 38.61 1llr s ILE 96 CO 0.07 0.10 -0.04 0.00 0.00 0.00 0.00 174.94 175.07 1llr n ALA 97 N 3.41 1.72 -3.35 9.38 0.00 0.85 -4.83 120.51 127.68 1llr n ALA 97 Ca 0.09 -0.66 -0.14 0.00 0.00 0.00 0.00 53.44 52.73 1llr n ALA 97 Cb 0.42 0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.27 -1.43 0.00 0.00 0.00 -0.89 -4.98 121.76 112.20 1llr s ALA 98 Ca -0.12 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.57 1llr s ALA 98 Cb 0.04 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 1llr s ALA 98 CO 0.39 -0.52 -0.14 -1.50 0.00 0.00 0.00 175.76 173.98 1llr s ILE 99 N -2.45 1.08 -0.03 0.00 2.07 -1.26 -1.17 121.20 119.44 1llr s ILE 99 Ca -0.05 -0.70 0.07 0.00 -1.41 0.00 0.00 60.65 58.55 1llr s ILE 99 Cb -0.01 -0.92 -0.01 0.00 0.13 0.00 0.00 42.46 41.65 1llr s ILE 99 CO -0.02 0.21 -0.23 -0.94 -1.91 0.00 0.00 174.94 172.06 1llr s SER 100 N -0.56 2.69 -0.08 4.50 1.04 -0.33 -5.01 113.70 115.96 1llr s SER 100 Ca 0.04 -0.42 0.04 0.00 0.48 0.00 0.00 55.95 56.09 1llr s SER 100 Cb -0.06 -0.43 -0.00 0.00 0.10 0.00 0.00 66.02 65.63 1llr s SER 100 CO 0.00 0.26 -0.22 -0.04 0.98 0.00 0.00 173.24 174.22 1llr s MET 101 N -0.41 2.65 -0.08 4.02 -1.94 -1.26 -0.36 119.30 121.92 1llr s MET 101 Ca 0.05 -0.80 -0.30 0.00 -1.71 0.00 0.00 55.69 52.93 1llr s MET 101 Cb -0.10 -2.09 0.07 0.00 2.01 0.00 0.00 34.83 34.72 1llr s MET 101 CO 0.00 0.21 0.68 0.00 -0.01 0.00 0.00 175.02 175.90 1llr s ALA 102 N 0.24 -1.76 -1.64 3.03 0.00 -1.18 -4.86 121.76 115.59 1llr s ALA 102 Ca -0.14 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1llr s ALA 102 Cb -0.16 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1llr s ALA 102 CO 0.07 -0.36 0.41 0.27 0.00 0.00 0.00 175.76 176.14