#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 2.75 -0.01 1.09 0.04 -1.26 -4.93 135.00 132.68 1llr s PRO 2 Ca 0.00 2.02 0.22 0.00 0.04 0.00 0.00 61.00 63.28 1llr s PRO 2 Cb 0.00 -1.92 -0.24 0.00 0.04 0.00 0.00 34.50 32.38 1llr s PRO 2 CO 0.00 -1.44 0.76 1.04 0.04 0.00 0.00 177.00 177.41 1llr n GLN 3 N -1.70 0.27 -3.97 4.56 6.02 -1.26 -4.97 117.38 116.32 1llr n GLN 3 Ca 0.15 -0.07 -0.09 0.00 -0.01 0.00 0.00 57.00 56.97 1llr n GLN 3 Cb 0.48 -1.52 -0.05 0.00 1.02 0.00 0.00 30.24 30.17 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 -3.65 -0.10 0.35 1.08 2.20 -1.26 -5.06 114.94 108.50 1llr s ASN 4 Ca 0.02 -0.89 0.08 0.00 -0.94 0.00 0.00 52.86 51.13 1llr s ASN 4 Cb 0.15 0.57 0.64 0.00 -2.00 0.00 0.00 41.25 40.62 1llr s ASN 4 CO 0.88 -1.11 1.83 -0.29 -2.94 0.00 0.00 177.10 175.46 1llr h ILE 5 N 2.27 1.23 -0.36 0.54 2.10 -1.96 -2.03 117.51 119.31 1llr h ILE 5 Ca -0.27 -1.06 -0.11 0.00 1.08 0.00 0.00 64.86 64.51 1llr h ILE 5 Cb 1.25 1.36 -0.01 0.00 -1.09 0.00 0.00 36.82 38.33 1llr h ILE 5 CO 0.37 0.32 -0.21 0.74 -1.08 0.00 0.00 178.15 178.30 1llr h THR 6 N 0.24 1.29 -0.21 2.19 2.02 -1.99 -0.27 112.91 116.18 1llr h THR 6 Ca 0.04 -1.34 -0.14 0.00 0.77 0.00 0.00 66.41 65.74 1llr h THR 6 Cb 0.54 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1llr h THR 6 CO 0.04 0.44 -0.46 0.44 0.37 0.00 0.00 175.52 176.35 1llr h ASP 7 N 0.56 0.58 -0.43 4.18 3.32 -1.95 -1.81 116.42 120.87 1llr h ASP 7 Ca 0.08 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1llr h ASP 7 Cb 0.76 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1llr h ASP 7 CO 0.06 0.95 0.21 0.25 -1.72 0.00 0.00 179.24 178.99 1llr h LEU 8 N 0.43 0.55 -1.13 1.55 6.46 -1.24 -2.90 115.31 119.03 1llr h LEU 8 Ca 0.03 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1llr h LEU 8 Cb 0.97 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.71 1llr h LEU 8 CO 0.09 0.52 0.52 0.00 -0.62 0.00 0.00 178.44 178.94 1llr n ALA 10 N -2.41 1.58 1.06 0.00 0.00 -0.70 -2.42 120.51 117.62 1llr n ALA 10 Ca 0.09 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.62 1llr n ALA 10 Cb 0.05 -1.18 0.63 0.00 0.00 0.00 0.00 19.45 18.94 1llr n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1llr n GLU 11 N -1.41 0.11 -4.34 0.00 1.02 -0.74 -4.84 120.64 110.44 1llr n GLU 11 Ca 0.04 0.02 -0.26 0.00 -0.02 0.00 0.00 57.16 56.94 1llr n GLU 11 Cb 0.11 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.91 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 -2.89 2.04 0.64 -0.32 1.51 -1.02 -5.14 117.35 112.17 1llr s TYR 12 Ca 0.17 -0.40 -0.11 0.00 -1.01 0.00 0.00 57.07 55.72 1llr s TYR 12 Cb 0.18 -1.10 -0.02 0.00 -0.11 0.00 0.00 41.96 40.92 1llr s TYR 12 CO 0.49 0.29 1.04 -1.01 -1.11 0.00 0.00 175.55 175.24 1llr s HIS 13 N -1.22 3.53 -1.46 2.71 3.76 -1.26 -4.24 115.29 117.11 1llr s HIS 13 Ca 0.11 1.18 -0.08 0.00 -0.15 0.00 0.00 55.06 56.12 1llr s HIS 13 Cb -0.10 -2.81 0.03 0.00 1.11 0.00 0.00 32.58 30.82 1llr s HIS 13 CO 0.05 -0.82 0.84 0.09 -0.85 0.00 0.00 174.74 174.05 1llr n ASN 14 N -2.80 -5.64 -4.39 1.40 4.13 -1.26 -4.95 115.26 101.75 1llr n ASN 14 Ca 0.06 -0.47 -0.22 0.00 1.68 0.00 0.00 54.58 55.63 1llr n ASN 14 Cb 0.55 -4.51 -0.10 0.00 -1.54 0.00 0.00 39.78 34.17 1llr n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1llr s THR 15 N -3.21 2.04 0.08 3.41 -4.23 -1.26 -0.91 115.64 111.56 1llr s THR 15 Ca 0.47 -2.19 -0.11 0.00 -1.18 0.00 0.00 61.69 58.69 1llr s THR 15 Cb -0.22 -2.08 0.01 0.00 1.34 0.00 0.00 72.50 71.55 1llr s THR 15 CO 0.58 -0.43 0.24 0.00 -0.54 0.00 0.00 174.62 174.47 1llr s GLN 16 N -3.32 0.86 -0.07 3.99 -2.07 -0.53 -4.88 119.66 113.64 1llr s GLN 16 Ca 0.23 -0.82 -0.17 0.00 -1.82 0.00 0.00 55.36 52.78 1llr s GLN 16 Cb -0.04 0.36 -0.05 0.00 -1.09 0.00 0.00 33.01 32.19 1llr s GLN 16 CO 0.10 -0.28 0.46 0.42 -1.32 0.00 0.00 175.29 174.66 1llr s ILE 17 N -3.53 5.10 -0.17 3.63 -1.09 -1.26 -1.29 121.20 122.60 1llr s ILE 17 Ca 0.02 0.93 -0.05 0.00 -2.23 0.00 0.00 60.65 59.33 1llr s ILE 17 Cb 0.03 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 1llr s ILE 17 CO -0.09 0.42 -0.01 -1.00 -1.23 0.00 0.00 174.94 173.03 1llr s HIS 18 N -0.05 3.07 -0.31 3.97 3.76 -0.04 -4.99 115.29 120.70 1llr s HIS 18 Ca 0.25 -0.24 -0.13 0.00 -0.15 0.00 0.00 55.06 54.79 1llr s HIS 18 Cb -0.16 -2.00 -0.03 0.00 1.11 0.00 0.00 32.58 31.50 1llr s HIS 18 CO 0.12 -0.02 0.27 0.99 -0.85 0.00 0.00 174.74 175.25 1llr s THR 19 N 0.43 5.25 -0.27 1.30 2.01 -1.26 -1.11 115.64 121.99 1llr s THR 19 Ca -0.02 0.08 -0.12 0.00 0.31 0.00 0.00 61.69 61.94 1llr s THR 19 Cb -0.14 -3.68 -0.12 0.00 0.01 0.00 0.00 72.50 68.57 1llr s THR 19 CO 0.02 0.07 -0.34 0.18 -0.69 0.00 0.00 174.62 173.87 1llr n LEU 20 N 5.19 1.95 -4.12 4.42 7.99 0.46 -5.01 117.00 127.89 1llr n LEU 20 Ca -0.12 0.30 -0.33 0.00 -0.01 0.00 0.00 56.01 55.85 1llr n LEU 20 Cb 0.50 -0.79 -0.04 0.00 -0.11 0.00 0.00 43.42 42.98 1llr n LEU 20 CO 0.36 0.58 -0.31 0.59 -1.51 0.00 0.00 177.39 177.10 1llr n ASN 21 N -4.14 -1.03 -3.46 -1.43 3.02 0.19 -4.96 115.26 103.46 1llr n ASN 21 Ca -0.52 -1.19 -0.12 0.00 -0.03 0.00 0.00 54.58 52.71 1llr n ASN 21 Cb 0.88 -2.13 -0.03 0.00 -0.61 0.00 0.00 39.78 37.89 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 -4.12 -0.53 0.70 6.41 2.15 -0.61 -4.91 116.67 115.77 1llr s ASP 22 Ca 0.15 0.04 -0.11 0.00 0.43 0.00 0.00 52.55 53.06 1llr s ASP 22 Cb -0.08 0.57 0.01 0.00 -0.30 0.00 0.00 42.92 43.13 1llr s ASP 22 CO 0.95 -0.91 1.07 -1.59 -0.17 0.00 0.00 175.17 174.52 1llr s LYS 23 N -3.44 2.82 0.14 4.34 -2.85 -1.26 -1.02 119.74 118.47 1llr s LYS 23 Ca -0.00 1.01 -0.31 0.00 -1.00 0.00 0.00 55.97 55.67 1llr s LYS 23 Cb -0.01 -1.97 -0.08 0.00 -2.06 0.00 0.00 37.83 33.71 1llr s LYS 23 CO -0.10 -1.19 1.34 0.42 0.10 0.00 0.00 175.35 175.91 1llr s ILE 24 N -2.98 3.35 -0.05 3.79 1.01 -1.26 -4.70 121.20 120.36 1llr s ILE 24 Ca 0.59 1.02 -0.17 0.00 0.00 0.00 0.00 60.65 62.09 1llr s ILE 24 Cb -0.15 -3.65 -0.31 0.00 0.01 0.00 0.00 42.46 38.36 1llr s ILE 24 CO 0.54 0.11 0.77 0.15 0.00 0.00 0.00 174.94 176.50 1llr h PHE 25 N 6.25 0.63 -4.04 3.97 3.57 -0.95 -3.48 116.94 122.89 1llr h PHE 25 Ca -0.43 -0.46 -0.17 0.00 3.53 0.00 0.00 57.97 60.44 1llr h PHE 25 Cb 1.21 -0.03 -0.19 0.00 2.79 0.00 0.00 35.95 39.73 1llr h PHE 25 CO 0.64 1.51 -0.70 -1.54 -2.23 0.00 0.00 178.31 175.99 1llr s SER 26 N -7.18 0.41 -0.07 0.41 1.04 -0.96 -4.98 113.70 102.39 1llr s SER 26 Ca -0.15 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 55.63 1llr s SER 26 Cb 0.03 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.29 1llr s SER 26 CO 0.84 -0.37 -0.08 -0.47 0.98 0.00 0.00 173.24 174.14 1llr s TYR 27 N -2.19 1.17 -0.02 5.02 5.04 -1.26 -1.87 117.35 123.23 1llr s TYR 27 Ca -0.08 -0.44 0.04 0.00 -2.44 0.00 0.00 57.07 54.15 1llr s TYR 27 Cb -0.05 -0.95 -0.01 0.00 0.35 0.00 0.00 41.96 41.31 1llr s TYR 27 CO -0.03 -0.30 -0.13 0.99 -1.34 0.00 0.00 175.55 174.74 1llr s THR 28 N 1.05 1.07 0.01 4.34 2.01 -0.09 -5.01 115.64 119.03 1llr s THR 28 Ca -0.08 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.38 1llr s THR 28 Cb -0.14 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 1llr s THR 28 CO -0.01 0.31 -0.04 -0.70 -0.69 0.00 0.00 174.62 173.50 1llr s GLU 29 N -0.12 0.32 0.01 4.92 2.12 -1.26 -0.61 118.70 124.08 1llr s GLU 29 Ca 0.01 -0.34 0.05 0.00 0.36 0.00 0.00 54.97 55.05 1llr s GLU 29 Cb -0.07 -0.19 -0.02 0.00 0.26 0.00 0.00 34.13 34.11 1llr s GLU 29 CO 0.00 0.04 -0.14 0.45 -0.54 0.00 0.00 175.26 175.07 1llr s SER 30 N -0.65 1.66 0.00 -1.70 0.15 -0.62 -5.01 113.70 107.53 1llr s SER 30 Ca -0.04 -0.35 0.07 0.00 0.70 0.00 0.00 55.95 56.32 1llr s SER 30 Cb -0.05 -0.14 0.16 0.00 -1.71 0.00 0.00 66.02 64.28 1llr s SER 30 CO -0.00 0.10 1.07 0.00 1.20 0.00 0.00 173.24 175.61 1llr n LEU 31 N 2.31 2.37 -4.77 3.45 -0.00 -1.26 -3.18 117.00 115.92 1llr n LEU 31 Ca -0.16 -1.80 -0.37 0.00 -0.00 0.00 0.00 56.01 53.68 1llr n LEU 31 Cb 0.55 -0.11 -0.01 0.00 -0.00 0.00 0.00 43.42 43.85 1llr n LEU 31 CO 0.24 0.58 0.84 0.00 -0.00 0.00 0.00 177.39 179.04 1llr s ALA 32 N -0.91 3.00 0.27 1.47 0.00 -1.26 -4.82 121.76 119.51 1llr s ALA 32 Ca 0.13 0.96 -0.31 0.00 0.00 0.00 0.00 51.96 52.75 1llr s ALA 32 Cb 0.07 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.68 1llr s ALA 32 CO 0.09 -0.67 1.63 0.20 0.00 0.00 0.00 175.76 177.02 1llr s GLY 33 N -1.29 1.85 0.00 0.00 0.00 -1.26 -1.13 107.32 105.48 1llr s GLY 33 Ca 0.63 1.58 0.00 0.00 0.00 0.00 0.00 44.72 46.93 1llr s GLY 33 CO 0.36 2.65 0.00 0.28 0.00 0.00 0.00 173.10 176.39 1llr n LYS 34 N 2.71 -0.10 -2.42 2.90 4.76 -1.26 -4.81 118.16 119.94 1llr n LYS 34 Ca 0.10 0.03 -0.05 0.00 -2.87 0.00 0.00 58.31 55.52 1llr n LYS 34 Cb 0.37 -3.27 0.05 0.00 -1.84 0.00 0.00 35.03 30.33 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 -1.94 2.01 -2.77 1.97 5.12 -0.28 -4.96 116.66 115.79 1llr n ARG 35 Ca 0.00 -3.51 -0.43 0.00 -1.93 0.00 0.00 57.85 51.98 1llr n ARG 35 Cb 0.03 -1.61 -0.02 0.00 -1.16 0.00 0.00 32.46 29.70 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 -3.35 3.70 0.23 5.56 8.01 -1.14 -4.33 118.70 127.39 1llr s GLU 36 Ca 0.34 -1.69 -0.09 0.00 0.01 0.00 0.00 54.97 53.54 1llr s GLU 36 Cb 0.35 -5.15 -0.02 0.00 -4.31 0.00 0.00 34.13 25.01 1llr s GLU 36 CO -0.04 -1.96 0.35 0.00 0.01 0.00 0.00 175.26 173.63 1llr s MET 37 N 3.44 1.42 0.06 1.61 0.23 -1.19 -4.17 119.30 120.69 1llr s MET 37 Ca 0.41 -1.37 0.08 0.00 -1.03 0.00 0.00 55.69 53.77 1llr s MET 37 Cb -0.02 0.40 -0.03 0.00 -1.53 0.00 0.00 34.83 33.65 1llr s MET 37 CO -0.07 -0.55 -0.22 0.00 -2.03 0.00 0.00 175.02 172.16 1llr s ALA 38 N -4.06 1.84 -0.06 3.16 0.00 -1.20 -1.60 121.76 119.83 1llr s ALA 38 Ca 0.28 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1llr s ALA 38 Cb 0.02 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.82 1llr s ALA 38 CO 0.10 0.41 -0.10 0.42 0.00 0.00 0.00 175.76 176.58 1llr s ILE 39 N -0.87 0.95 0.10 0.00 1.01 0.22 -1.06 121.20 121.55 1llr s ILE 39 Ca 0.08 -0.37 0.09 0.00 0.00 0.00 0.00 60.65 60.45 1llr s ILE 39 Cb -0.09 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 1llr s ILE 39 CO 0.02 0.31 -0.23 0.27 0.00 0.00 0.00 174.94 175.32 1llr s ILE 40 N 0.71 2.49 0.17 2.92 -4.36 0.12 -0.92 121.20 122.33 1llr s ILE 40 Ca -0.14 -1.53 0.07 0.00 -0.26 0.00 0.00 60.65 58.80 1llr s ILE 40 Cb -0.15 -2.08 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 1llr s ILE 40 CO 0.03 0.18 -0.14 0.42 0.24 0.00 0.00 174.94 175.67 1llr s THR 41 N -1.01 1.56 0.26 8.37 -4.23 -0.78 -0.74 115.64 119.06 1llr s THR 41 Ca 0.15 -2.02 0.09 0.00 -1.18 0.00 0.00 61.69 58.73 1llr s THR 41 Cb -0.10 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.84 1llr s THR 41 CO 0.06 -0.53 0.03 -0.36 -0.54 0.00 0.00 174.62 173.29 1llr s PHE 42 N -2.67 2.78 -0.48 3.99 0.40 -0.35 -0.27 117.98 121.39 1llr s PHE 42 Ca 0.17 -0.20 0.21 0.00 -0.60 0.00 0.00 56.93 56.51 1llr s PHE 42 Cb -0.02 -1.24 0.95 0.00 0.51 0.00 0.00 43.02 43.22 1llr s PHE 42 CO 0.05 0.60 1.63 0.36 0.70 0.00 0.00 175.22 178.56 1llr n LYS 43 N -0.91 0.15 0.00 0.44 2.85 -1.26 -1.13 118.16 118.30 1llr n LYS 43 Ca -0.07 0.47 0.03 0.00 -1.05 0.00 0.00 58.31 57.70 1llr n LYS 43 Cb 0.59 -1.84 0.19 0.00 -0.65 0.00 0.00 35.03 33.32 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 -2.14 0.00 0.00 -5.58 0.23 -1.26 -4.87 115.26 101.64 1llr n ASN 44 Ca 0.01 -1.79 0.00 0.00 -0.53 0.00 0.00 54.58 52.27 1llr n ASN 44 Cb 0.16 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 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 0.60 1.19 3.74 4.83 0.00 -0.28 -5.04 105.19 110.23 1llr n GLY 45 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.53 3.66 -0.02 4.61 0.00 -1.25 -4.77 121.76 120.46 1llr s ALA 46 Ca 0.00 1.36 0.05 0.00 0.00 0.00 0.00 51.96 53.37 1llr s ALA 46 Cb 0.00 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 1llr s ALA 46 CO 0.00 -0.77 -0.17 0.99 0.00 0.00 0.00 175.76 175.81 1llr s THR 47 N 0.19 1.39 0.03 0.00 2.01 -1.26 -1.21 115.64 116.79 1llr s THR 47 Ca 0.61 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1llr s THR 47 Cb -0.43 -1.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 1llr s THR 47 CO 0.42 0.39 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.34 1llr s PHE 48 N -0.35 0.39 0.16 4.92 0.08 0.08 -4.00 117.98 119.26 1llr s PHE 48 Ca 0.05 -0.61 0.11 0.00 0.12 0.00 0.00 56.93 56.60 1llr s PHE 48 Cb -0.07 -0.27 -0.04 0.00 -0.57 0.00 0.00 43.02 42.07 1llr s PHE 48 CO -0.00 -0.19 -0.24 1.14 -0.10 0.00 0.00 175.22 175.83 1llr s GLN 49 N -1.89 1.53 -0.34 0.44 -2.07 -0.50 -0.71 119.66 116.12 1llr s GLN 49 Ca -0.11 -1.41 -0.15 0.00 -1.82 0.00 0.00 55.36 51.88 1llr s GLN 49 Cb -0.07 -1.91 -0.01 0.00 -1.09 0.00 0.00 33.01 29.92 1llr s GLN 49 CO -0.02 0.43 0.33 0.08 -1.32 0.00 0.00 175.29 174.79 1llr s VAL 50 N -1.38 5.20 0.68 3.63 1.01 -0.22 -0.87 120.40 128.44 1llr s VAL 50 Ca 0.18 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.00 1llr s VAL 50 Cb -0.09 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.51 1llr s VAL 50 CO 0.09 -0.06 1.24 -1.61 0.00 0.00 0.00 175.10 174.75 1llr s GLU 51 N 1.95 2.44 0.33 2.72 2.02 -1.26 -3.28 118.70 123.62 1llr s GLU 51 Ca 0.11 1.87 -0.29 0.00 0.02 0.00 0.00 54.97 56.68 1llr s GLU 51 Cb -0.17 -1.86 -0.11 0.00 0.10 0.00 0.00 34.13 32.10 1llr s GLU 51 CO 0.11 -1.64 1.55 0.08 0.02 0.00 0.00 175.26 175.39 1llr s VAL 52 N -1.71 2.02 0.32 2.63 1.01 -1.26 -4.86 120.40 118.55 1llr s VAL 52 Ca 0.78 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.48 1llr s VAL 52 Cb -0.32 -3.01 -0.11 0.00 0.00 0.00 0.00 36.38 32.93 1llr s VAL 52 CO 0.41 0.00 1.58 -2.84 0.00 0.00 0.00 175.10 174.25 1llr s PRO 53 N -1.25 4.11 0.09 2.72 0.02 -1.26 -4.95 135.00 134.47 1llr s PRO 53 Ca 0.59 2.60 -0.02 0.00 0.02 0.00 0.00 61.00 64.18 1llr s PRO 53 Cb -0.48 -3.00 0.01 0.00 0.02 0.00 0.00 34.50 31.05 1llr s PRO 53 CO 0.55 -0.63 0.16 0.41 -0.33 0.00 0.00 177.00 177.16 1llr n GLY 54 N 1.73 2.28 0.10 0.52 0.00 -1.26 -5.04 105.19 103.53 1llr n GLY 54 Ca 0.06 -1.24 0.09 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.54 0.43 0.24 1.61 3.41 -1.26 -0.99 113.62 115.52 1llr n SER 55 Ca -0.01 0.65 0.15 0.00 -0.26 0.00 0.00 58.87 59.40 1llr n SER 55 Cb 0.14 -0.72 0.45 0.00 -0.26 0.00 0.00 64.21 63.82 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 -5.89 4.33 -0.00 -1.96 -3.45 115.11 108.13 1llr h GLN 56 Ca 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 58.65 58.02 1llr h GLN 56 Cb 0.16 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.59 1llr h GLN 56 CO 0.00 0.00 -0.33 -1.01 -0.00 0.00 0.00 178.83 177.49 1llr s HIS 57 N -3.43 3.64 0.55 0.06 3.76 -0.16 -5.09 115.29 114.62 1llr s HIS 57 Ca 0.04 0.74 -0.06 0.00 -0.15 0.00 0.00 55.06 55.63 1llr s HIS 57 Cb 0.08 -2.10 -0.01 0.00 1.11 0.00 0.00 32.58 31.65 1llr s HIS 57 CO 0.59 0.65 0.87 0.96 -0.85 0.00 0.00 174.74 176.95 1llr s ILE 58 N -1.16 4.17 0.26 0.60 -4.36 -1.26 -4.90 121.20 114.55 1llr s ILE 58 Ca 0.23 0.13 -0.01 0.00 -0.26 0.00 0.00 60.65 60.74 1llr s ILE 58 Cb -0.14 -3.63 0.25 0.00 1.25 0.00 0.00 42.46 40.19 1llr s ILE 58 CO 0.12 -0.65 1.73 0.44 0.24 0.00 0.00 174.94 176.82 1llr h ASP 59 N -0.04 0.36 0.52 4.36 3.32 -1.98 -1.12 116.42 121.84 1llr h ASP 59 Ca -0.46 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1llr h ASP 59 Cb 1.23 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1llr h ASP 59 CO 0.61 0.11 0.00 0.77 -1.72 0.00 0.00 179.24 179.01 1llr h SER 60 N 0.48 0.00 1.73 6.45 4.64 -2.05 -2.40 113.55 122.41 1llr h SER 60 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1llr h SER 60 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1llr h SER 60 CO -0.43 0.00 -0.19 1.56 -0.87 0.00 0.00 176.83 176.90 1llr h GLN 61 N 0.00 0.00 0.07 4.77 4.20 -1.58 -3.37 115.11 119.20 1llr h GLN 61 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1llr h GLN 61 Cb 0.26 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1llr h GLN 61 CO 0.00 0.00 -0.21 0.87 -0.67 0.00 0.00 178.83 178.82 1llr h LYS 62 N 0.00 -0.36 -0.40 1.46 1.57 -1.49 0.87 116.57 118.22 1llr h LYS 62 Ca 0.00 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1llr h LYS 62 Cb 0.96 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1llr h LYS 62 CO 0.00 -0.24 0.13 0.87 -0.57 0.00 0.00 179.45 179.64 1llr h LYS 63 N -0.38 0.57 -0.06 3.15 1.57 -1.76 -2.82 116.57 116.84 1llr h LYS 63 Ca 0.04 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1llr h LYS 63 Cb 0.42 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1llr h LYS 63 CO -0.15 0.50 -0.63 0.00 -0.57 0.00 0.00 179.45 178.60 1llr h ALA 64 N 1.58 0.81 -0.38 3.86 0.00 -1.52 -1.41 119.26 122.20 1llr h ALA 64 Ca 0.14 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1llr h ALA 64 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1llr h ALA 64 CO -0.01 0.75 0.24 0.82 0.00 0.00 0.00 179.25 181.05 1llr h ILE 65 N 0.17 1.12 -0.64 0.00 2.04 -0.67 -0.44 117.51 119.09 1llr h ILE 65 Ca -0.01 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 1llr h ILE 65 Cb 1.15 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1llr h ILE 65 CO 0.10 0.11 0.14 -0.33 0.00 0.00 0.00 178.15 178.17 1llr h GLU 66 N 0.51 1.02 -0.74 2.37 4.39 -1.25 -2.14 114.58 118.73 1llr h GLU 66 Ca 0.14 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1llr h GLU 66 Cb -0.02 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.46 1llr h GLU 66 CO -0.03 0.91 0.48 -0.09 -1.16 0.00 0.00 179.01 179.12 1llr h ARG 67 N 0.96 0.99 -0.67 2.33 2.43 -1.08 -1.96 114.38 117.38 1llr h ARG 67 Ca 0.20 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1llr h ARG 67 Cb 0.37 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1llr h ARG 67 CO 0.00 0.68 0.44 1.98 -1.51 0.00 0.00 179.97 181.55 1llr h MET 68 N 1.01 0.85 -0.06 0.20 4.05 -0.61 0.16 114.93 120.52 1llr h MET 68 Ca 0.27 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.57 1llr h MET 68 Cb -0.08 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.51 1llr h MET 68 CO -0.06 0.56 -0.28 0.87 0.23 0.00 0.00 176.91 178.23 1llr h LYS 69 N 0.88 0.10 -0.22 0.39 1.57 -1.08 0.28 116.57 118.49 1llr h LYS 69 Ca 0.26 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1llr h LYS 69 Cb -0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1llr h LYS 69 CO -0.07 0.38 0.10 -0.44 -0.57 0.00 0.00 179.45 178.85 1llr h ASP 70 N 0.09 0.29 -0.43 0.86 3.32 -0.56 -2.03 116.42 117.97 1llr h ASP 70 Ca 0.01 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 56.94 1llr h ASP 70 Cb 0.55 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1llr h ASP 70 CO 0.04 0.35 0.26 0.74 -1.72 0.00 0.00 179.24 178.91 1llr h THR 71 N 0.22 1.07 -0.54 0.35 2.02 -0.15 -2.02 112.91 113.86 1llr h THR 71 Ca 0.07 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 1llr h THR 71 Cb 0.14 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1llr h THR 71 CO -0.01 0.10 -0.02 -0.07 0.37 0.00 0.00 175.52 175.89 1llr h LEU 72 N 0.54 0.91 -0.35 2.58 3.38 -0.87 0.11 115.31 121.61 1llr h LEU 72 Ca 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1llr h LEU 72 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1llr h LEU 72 CO -0.06 0.98 0.19 -0.09 0.09 0.00 0.00 178.44 179.54 1llr h ARG 73 N 0.86 0.49 -0.03 1.13 2.43 -1.23 0.18 114.38 118.21 1llr h ARG 73 Ca 0.16 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 59.08 1llr h ARG 73 Cb 0.53 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1llr h ARG 73 CO 0.03 0.42 -0.78 0.97 -1.51 0.00 0.00 179.97 179.10 1llr h ILE 74 N 0.44 1.44 -0.32 1.20 -0.00 -1.20 -0.74 117.51 118.32 1llr h ILE 74 Ca 0.12 -2.35 0.04 0.00 -0.00 0.00 0.00 64.86 62.67 1llr h ILE 74 Cb 0.08 2.27 -0.04 0.00 -0.00 0.00 0.00 36.82 39.13 1llr h ILE 74 CO -0.02 0.69 0.11 0.00 -0.00 0.00 0.00 178.15 178.93 1llr h ALA 75 N 1.01 0.37 0.04 0.18 0.00 -0.68 -1.44 119.26 118.73 1llr h ALA 75 Ca -0.03 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1llr h ALA 75 Cb 1.37 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1llr h ALA 75 CO 0.12 -0.29 -0.32 -0.92 0.00 0.00 0.00 179.25 177.84 1llr h TYR 76 N 0.24 -0.88 -0.02 0.00 3.20 -0.63 -1.08 116.97 117.81 1llr h TYR 76 Ca 0.15 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 1llr h TYR 76 Cb 0.12 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1llr h TYR 76 CO -0.14 -0.42 -0.23 -0.07 -1.64 0.00 0.00 178.16 175.66 1llr h LEU 77 N -0.50 0.03 -1.03 2.82 3.38 -0.89 -2.14 115.31 116.99 1llr h LEU 77 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1llr h LEU 77 Cb 0.56 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1llr h LEU 77 CO -0.24 0.27 -0.06 0.35 0.09 0.00 0.00 178.44 178.84 1llr n THR 78 N -4.25 0.00 -3.00 0.22 -2.24 -0.57 -4.95 114.28 99.50 1llr n THR 78 Ca -0.02 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.27 1llr n THR 78 Cb 0.30 0.66 0.03 0.00 -2.10 0.00 0.00 70.33 69.21 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 0.20 -4.39 -2.15 -0.78 1.02 -0.50 -4.94 120.64 109.10 1llr n GLU 79 Ca 0.17 0.86 -0.41 0.00 -0.02 0.00 0.00 57.16 57.76 1llr n GLU 79 Cb 0.39 -5.68 -0.02 0.00 -0.02 0.00 0.00 31.44 26.11 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 3.49 0.02 0.62 0.00 -0.65 -4.74 121.76 117.38 1llr s ALA 80 Ca 0.28 1.22 -0.30 0.00 0.00 0.00 0.00 51.96 53.16 1llr s ALA 80 Cb -0.13 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1llr s ALA 80 CO 0.35 -0.59 1.10 0.21 0.00 0.00 0.00 175.76 176.82 1llr s LYS 81 N -1.63 4.48 -0.22 0.00 2.20 -1.26 -4.28 119.74 119.03 1llr s LYS 81 Ca 0.49 1.59 -0.20 0.00 -0.36 0.00 0.00 55.97 57.49 1llr s LYS 81 Cb -0.39 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.48 1llr s LYS 81 CO 0.51 -0.19 0.61 0.08 -0.36 0.00 0.00 175.35 176.00 1llr s VAL 82 N 1.18 5.02 0.00 4.02 1.01 -0.19 -3.35 120.40 128.09 1llr s VAL 82 Ca 0.55 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.65 1llr s VAL 82 Cb -0.25 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1llr s VAL 82 CO 0.27 0.09 0.02 1.21 0.00 0.00 0.00 175.10 176.69 1llr n GLU 83 N 5.25 0.00 -4.23 2.72 2.13 0.20 -0.64 120.64 126.08 1llr n GLU 83 Ca -0.02 0.44 -0.20 0.00 0.66 0.00 0.00 57.16 58.05 1llr n GLU 83 Cb 0.50 -0.95 -0.12 0.00 0.27 0.00 0.00 31.44 31.14 1llr n GLU 83 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1llr s LYS 84 N -0.92 0.97 -0.07 5.31 1.02 -1.14 -0.40 119.74 124.51 1llr s LYS 84 Ca 0.00 -1.10 0.04 0.00 0.02 0.00 0.00 55.97 54.93 1llr s LYS 84 Cb 0.00 -1.01 -0.02 0.00 -0.52 0.00 0.00 37.83 36.28 1llr s LYS 84 CO 0.00 0.22 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.96 1llr s LEU 85 N -2.01 2.49 -0.28 3.17 1.43 -0.27 -0.78 118.68 122.43 1llr s LEU 85 Ca 0.04 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 1llr s LEU 85 Cb -0.08 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1llr s LEU 85 CO 0.03 0.27 0.29 0.00 0.23 0.00 0.00 176.35 177.17 1llr s VAL 87 N 1.92 1.68 -0.03 0.00 -7.23 -0.41 -0.14 120.40 116.19 1llr s VAL 87 Ca 0.11 -1.75 -0.29 0.00 -1.81 0.00 0.00 61.98 58.24 1llr s VAL 87 Cb -0.16 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 1llr s VAL 87 CO 0.11 -0.25 0.93 0.26 -0.31 0.00 0.00 175.10 175.84 1llr s TRP 88 N -1.77 3.62 -0.76 2.82 0.51 0.87 -1.45 118.94 122.79 1llr s TRP 88 Ca 0.11 1.60 0.17 0.00 -2.12 0.00 0.00 56.10 55.86 1llr s TRP 88 Cb -0.07 -3.07 0.69 0.00 -0.81 0.00 0.00 33.47 30.21 1llr s TRP 88 CO 0.05 -0.02 1.61 0.27 -0.51 0.00 0.00 176.95 178.34 1llr n ASN 89 N 4.04 4.76 -1.84 2.95 0.23 -0.08 -1.59 115.26 123.73 1llr n ASN 89 Ca 0.05 -2.62 0.08 0.00 -0.53 0.00 0.00 54.58 51.56 1llr n ASN 89 Cb 0.51 -0.58 0.40 0.00 -2.08 0.00 0.00 39.78 38.03 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 0.72 5.56 -4.15 0.53 6.94 -1.26 -4.91 115.26 118.69 1llr n ASN 90 Ca 0.25 -2.84 -0.15 0.00 -0.02 0.00 0.00 54.58 51.82 1llr n ASN 90 Cb 0.94 -0.67 -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 -2.58 0.77 -0.08 -3.83 -0.14 -1.26 -5.10 119.74 107.53 1llr s LYS 91 Ca 0.54 -1.01 0.02 0.00 -1.36 0.00 0.00 55.97 54.17 1llr s LYS 91 Cb 0.40 -0.58 0.01 0.00 -1.68 0.00 0.00 37.83 35.99 1llr s LYS 91 CO 0.18 0.11 -0.14 0.99 -0.76 0.00 0.00 175.35 175.73 1llr s THR 92 N -1.84 1.27 0.90 2.17 2.01 -1.26 -2.96 115.64 115.92 1llr s THR 92 Ca -0.00 -0.55 -0.13 0.00 0.31 0.00 0.00 61.69 61.32 1llr s THR 92 Cb -0.07 -1.15 0.02 0.00 0.01 0.00 0.00 72.50 71.31 1llr s THR 92 CO 0.01 0.39 0.43 -2.65 -0.69 0.00 0.00 174.62 172.11 1llr n PRO 93 N 3.87 -0.15 -1.70 4.92 -0.02 -1.26 -5.05 135.00 135.62 1llr n PRO 93 Ca -0.22 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.86 1llr n PRO 93 Cb 0.52 -1.85 0.01 0.00 -0.02 0.00 0.00 33.50 32.16 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 -3.32 2.08 -3.60 6.00 8.25 -1.16 -4.49 115.22 118.98 1llr n HIS 94 Ca 0.07 0.50 -0.36 0.00 -0.26 0.00 0.00 57.72 57.67 1llr n HIS 94 Cb 0.53 -2.37 -0.08 0.00 1.12 0.00 0.00 29.99 29.19 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 -1.21 3.62 0.02 -1.41 0.00 -0.62 -1.42 121.76 120.74 1llr s ALA 95 Ca 0.62 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.62 1llr s ALA 95 Cb -0.50 -2.35 -0.06 0.00 0.00 0.00 0.00 23.12 20.21 1llr s ALA 95 CO 0.57 -0.03 1.39 0.42 0.00 0.00 0.00 175.76 178.11 1llr s ILE 96 N 0.73 3.67 -0.12 0.00 1.01 -0.04 -0.09 121.20 126.37 1llr s ILE 96 Ca 0.12 1.09 0.13 0.00 0.00 0.00 0.00 60.65 61.99 1llr s ILE 96 Cb -0.13 -3.70 -0.18 0.00 0.01 0.00 0.00 42.46 38.46 1llr s ILE 96 CO 0.03 0.01 0.10 0.00 0.00 0.00 0.00 174.94 175.09 1llr n ALA 97 N 5.12 1.83 -3.44 9.38 0.00 0.80 -4.84 120.51 129.35 1llr n ALA 97 Ca 0.13 -0.81 -0.13 0.00 0.00 0.00 0.00 53.44 52.62 1llr n ALA 97 Cb 0.44 -0.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.47 -1.63 0.01 0.00 0.00 -0.94 -4.98 121.76 111.75 1llr s ALA 98 Ca -0.07 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.60 1llr s ALA 98 Cb 0.05 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 1llr s ALA 98 CO 0.58 -0.67 -0.07 -1.50 0.00 0.00 0.00 175.76 174.11 1llr s ILE 99 N -3.11 0.49 0.01 0.00 2.07 -1.26 -1.26 121.20 118.14 1llr s ILE 99 Ca -0.02 -0.51 0.07 0.00 -1.41 0.00 0.00 60.65 58.78 1llr s ILE 99 Cb -0.01 -0.46 -0.02 0.00 0.13 0.00 0.00 42.46 42.10 1llr s ILE 99 CO -0.07 -0.03 -0.21 -0.94 -1.91 0.00 0.00 174.94 171.78 1llr s SER 100 N -0.59 2.51 -0.05 4.50 1.04 0.04 -5.01 113.70 116.15 1llr s SER 100 Ca -0.01 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 56.02 1llr s SER 100 Cb -0.05 -0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.82 1llr s SER 100 CO 0.00 0.22 -0.21 -0.04 0.98 0.00 0.00 173.24 174.19 1llr s MET 101 N -0.80 2.16 0.02 4.02 -1.94 -1.26 -0.63 119.30 120.87 1llr s MET 101 Ca 0.08 -0.77 -0.28 0.00 -1.71 0.00 0.00 55.69 53.02 1llr s MET 101 Cb -0.08 -1.86 0.09 0.00 2.01 0.00 0.00 34.83 34.98 1llr s MET 101 CO 0.00 0.33 0.74 0.00 -0.01 0.00 0.00 175.02 176.08 1llr s ALA 102 N -0.10 -1.75 0.00 3.03 0.00 -1.21 -4.87 121.76 116.86 1llr s ALA 102 Ca -0.03 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1llr s ALA 102 Cb -0.12 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1llr s ALA 102 CO 0.03 -0.57 0.00 0.09 0.00 0.00 0.00 175.76 175.30