#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5l s ARG 4 N 0.00 3.42 0.22 -0.52 0.52 -1.26 -4.95 118.95 116.38 1i5l s ARG 4 Ca 0.00 -0.25 -0.16 0.00 -0.52 0.00 0.00 55.73 54.79 1i5l s ARG 4 Cb 0.00 -3.12 0.23 0.00 0.52 0.00 0.00 34.95 32.58 1i5l s ARG 4 CO 0.00 0.72 1.59 -1.35 0.02 0.00 0.00 175.30 176.27 1i5l h PRO 5 N 4.29 -0.07 0.00 3.54 0.11 -2.06 1.19 132.00 139.00 1i5l h PRO 5 Ca -0.51 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1i5l h PRO 5 Cb 1.20 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1i5l h PRO 5 CO 0.64 -0.04 -0.07 -0.07 -0.21 0.00 0.00 178.00 178.25 1i5l h LEU 6 N -0.07 0.00 -0.18 2.35 3.38 -2.01 -2.60 115.31 116.19 1i5l h LEU 6 Ca 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 1i5l h LEU 6 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1i5l h LEU 6 CO -0.77 0.07 -0.05 0.44 0.09 0.00 0.00 178.44 178.22 1i5l h ASP 7 N 0.00 0.35 0.09 -0.43 5.19 0.93 -2.77 116.42 119.79 1i5l h ASP 7 Ca -0.00 -0.37 -0.03 0.00 -0.62 0.00 0.00 57.03 56.01 1i5l h ASP 7 Cb 0.13 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1i5l h ASP 7 CO 0.01 0.65 -0.11 0.58 -3.12 0.00 0.00 179.24 177.24 1i5l h VAL 8 N 0.05 1.10 -0.03 -1.35 2.07 -0.49 -1.75 116.25 115.86 1i5l h VAL 8 Ca 0.04 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1i5l h VAL 8 Cb 0.50 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1i5l h VAL 8 CO 0.02 0.13 -0.00 0.25 0.02 0.00 0.00 177.57 177.99 1i5l h LEU 9 N 0.04 0.05 -0.96 2.57 5.85 -1.40 -2.99 115.31 118.46 1i5l h LEU 9 Ca 0.01 -0.32 0.08 0.00 0.84 0.00 0.00 57.88 58.49 1i5l h LEU 9 Cb 0.22 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 1i5l h LEU 9 CO 0.01 0.35 0.61 -1.13 -0.34 0.00 0.00 178.44 177.95 1i5l h ASN 10 N -0.26 0.96 0.00 1.25 -0.73 -1.15 0.20 115.58 115.85 1i5l h ASN 10 Ca 0.01 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.20 1i5l h ASN 10 Cb 0.33 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.74 1i5l h ASN 10 CO 0.00 0.59 0.00 0.54 -0.37 0.00 0.00 177.43 178.19 1i5l n ARG 11 N -4.56 0.17 0.00 6.67 1.74 -0.70 -1.34 116.66 118.64 1i5l n ARG 11 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1i5l n ARG 11 Cb 0.22 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1i5l n ARG 11 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1i5l n SER 12 N -0.73 1.00 -4.66 0.55 7.64 0.71 -5.00 113.62 113.13 1i5l n SER 12 Ca 0.02 -1.32 -0.43 0.00 1.01 0.00 0.00 58.87 58.15 1i5l n SER 12 Cb 0.01 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 1i5l n SER 12 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1i5l n LEU 13 N -0.16 4.11 0.00 -3.43 4.77 -0.45 -1.51 117.00 120.33 1i5l n LEU 13 Ca 0.00 0.91 0.00 0.00 -0.03 0.00 0.00 56.01 56.89 1i5l n LEU 13 Cb 0.20 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.77 1i5l n LEU 13 CO 0.00 0.18 0.00 0.29 -1.33 0.00 0.00 177.39 176.53 1i5l n LYS 14 N 7.29 0.00 -3.60 3.23 5.02 -0.40 -5.01 118.16 124.69 1i5l n LYS 14 Ca 0.20 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.22 1i5l n LYS 14 Cb 0.40 -0.14 -0.03 0.00 -0.02 0.00 0.00 35.03 35.23 1i5l n LYS 14 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1i5l s SER 15 N -1.47 6.39 0.63 4.39 1.04 -0.57 -4.73 113.70 119.38 1i5l s SER 15 Ca 0.00 0.47 -0.18 0.00 0.48 0.00 0.00 55.95 56.72 1i5l s SER 15 Cb 0.00 -2.04 -0.02 0.00 0.10 0.00 0.00 66.02 64.06 1i5l s SER 15 CO 0.00 -0.10 1.22 -2.16 0.98 0.00 0.00 173.24 173.18 1i5l s PRO 16 N -3.46 2.77 0.17 4.02 0.04 -1.26 -2.48 135.00 134.80 1i5l s PRO 16 Ca 0.40 1.83 -0.13 0.00 0.04 0.00 0.00 61.00 63.13 1i5l s PRO 16 Cb -0.11 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1i5l s PRO 16 CO 0.30 -1.36 0.40 0.14 0.04 0.00 0.00 177.00 176.51 1i5l s VAL 17 N -1.66 0.05 -0.12 -0.36 -7.23 0.18 -2.58 120.40 108.69 1i5l s VAL 17 Ca 0.77 -1.03 0.03 0.00 -1.81 0.00 0.00 61.98 59.95 1i5l s VAL 17 Cb -0.31 -1.63 0.01 0.00 0.56 0.00 0.00 36.38 35.01 1i5l s VAL 17 CO 0.36 -0.24 -0.22 -0.63 -0.31 0.00 0.00 175.10 174.06 1i5l s ILE 18 N -3.90 1.98 -0.07 -0.62 1.01 -0.70 -1.40 121.20 117.50 1i5l s ILE 18 Ca 0.11 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.84 1i5l s ILE 18 Cb 0.01 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 1i5l s ILE 18 CO -0.03 0.54 -0.17 -0.69 0.00 0.00 0.00 174.94 174.59 1i5l s VAL 19 N 0.59 2.81 -0.18 2.92 1.01 -0.61 -2.16 120.40 124.79 1i5l s VAL 19 Ca -0.13 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1i5l s VAL 19 Cb -0.17 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.12 1i5l s VAL 19 CO 0.04 0.57 -0.18 -0.60 0.00 0.00 0.00 175.10 174.92 1i5l s ARG 20 N -0.29 3.03 0.42 2.72 3.52 -0.80 -0.85 118.95 126.71 1i5l s ARG 20 Ca 0.02 -0.81 -0.02 0.00 -0.13 0.00 0.00 55.73 54.79 1i5l s ARG 20 Cb -0.13 -2.61 -0.03 0.00 -1.56 0.00 0.00 34.95 30.62 1i5l s ARG 20 CO 0.03 -0.21 0.67 -0.51 -0.81 0.00 0.00 175.30 174.47 1i5l s LEU 21 N 1.31 3.77 0.31 -0.88 1.43 -0.51 0.74 118.68 124.86 1i5l s LEU 21 Ca 0.05 0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 53.43 1i5l s LEU 21 Cb -0.13 -3.47 -0.12 0.00 0.03 0.00 0.00 46.19 42.50 1i5l s LEU 21 CO -0.12 -0.51 1.52 0.29 0.23 0.00 0.00 176.35 177.75 1i5l n LYS 22 N -2.04 2.56 -0.33 1.70 5.02 0.01 -2.64 118.16 122.44 1i5l n LYS 22 Ca -0.01 0.90 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 1i5l n LYS 22 Cb 0.56 -2.64 0.00 0.00 -0.02 0.00 0.00 35.03 32.93 1i5l n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i5l n GLY 23 N 1.60 0.88 0.00 0.72 0.00 -1.26 -4.61 105.19 102.53 1i5l n GLY 23 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1i5l n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i5l n GLY 24 N -2.00 2.28 0.40 -0.02 0.00 -1.08 -5.08 105.19 99.69 1i5l n GLY 24 Ca 0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 1i5l n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i5l n ARG 25 N 0.00 0.00 -4.53 1.61 1.74 -1.26 -4.46 116.66 109.76 1i5l n ARG 25 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 1i5l n ARG 25 Cb 0.00 -0.18 -0.12 0.00 -1.02 0.00 0.00 32.46 31.15 1i5l n ARG 25 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1i5l s GLU 26 N 0.59 2.23 0.19 5.56 2.02 -0.67 -1.42 118.70 127.20 1i5l s GLU 26 Ca 0.14 -0.91 0.09 0.00 0.02 0.00 0.00 54.97 54.31 1i5l s GLU 26 Cb -0.18 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 1i5l s GLU 26 CO 0.08 0.56 -0.19 -0.06 0.02 0.00 0.00 175.26 175.67 1i5l s PHE 27 N -0.99 1.96 -0.11 1.61 0.40 -0.03 0.17 117.98 121.00 1i5l s PHE 27 Ca 0.16 -0.44 -0.03 0.00 -0.60 0.00 0.00 56.93 56.02 1i5l s PHE 27 Cb -0.11 -0.96 0.05 0.00 0.51 0.00 0.00 43.02 42.51 1i5l s PHE 27 CO 0.07 0.41 0.07 1.03 0.70 0.00 0.00 175.22 177.50 1i5l s ARG 28 N -2.90 0.02 0.04 0.44 0.52 -0.87 -1.57 118.95 114.62 1i5l s ARG 28 Ca 0.19 0.14 -0.06 0.00 -0.52 0.00 0.00 55.73 55.48 1i5l s ARG 28 Cb -0.06 -1.19 0.02 0.00 0.52 0.00 0.00 34.95 34.24 1i5l s ARG 28 CO 0.08 -0.50 0.27 0.41 0.02 0.00 0.00 175.30 175.58 1i5l n GLY 29 N 5.28 1.05 3.69 -3.53 0.00 -0.49 -2.13 105.19 109.06 1i5l n GLY 29 Ca -0.05 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 1i5l n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i5l s THR 30 N -2.40 4.98 -0.67 2.61 2.01 -1.09 0.47 115.64 121.55 1i5l s THR 30 Ca 0.06 1.52 -0.27 0.00 0.31 0.00 0.00 61.69 63.31 1i5l s THR 30 Cb -0.01 -4.08 0.01 0.00 0.01 0.00 0.00 72.50 68.44 1i5l s THR 30 CO 0.01 0.15 1.47 -0.22 -0.69 0.00 0.00 174.62 175.35 1i5l s LEU 31 N 1.39 3.25 -0.01 4.42 2.96 -1.04 -1.48 118.68 128.17 1i5l s LEU 31 Ca 0.38 -0.08 -0.20 0.00 -0.22 0.00 0.00 54.13 54.01 1i5l s LEU 31 Cb -0.17 -2.65 -0.28 0.00 0.50 0.00 0.00 46.19 43.58 1i5l s LEU 31 CO 0.16 -1.96 1.01 -0.78 -1.32 0.00 0.00 176.35 173.45 1i5l h ASP 32 N 11.63 0.58 -5.18 3.68 3.58 -1.64 -1.05 116.42 128.02 1i5l h ASP 32 Ca -0.27 -0.86 0.10 0.00 0.42 0.00 0.00 57.03 56.41 1i5l h ASP 32 Cb 1.09 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.92 1i5l h ASP 32 CO 1.24 1.38 0.39 -0.83 -2.88 0.00 0.00 179.24 178.54 1i5l s GLY 33 N -4.31 0.03 0.25 -0.78 0.00 -1.19 -4.79 107.32 96.52 1i5l s GLY 33 Ca -0.13 -0.30 -0.08 0.00 0.00 0.00 0.00 44.72 44.21 1i5l s GLY 33 CO 0.85 0.40 0.47 1.58 0.00 0.00 0.00 173.10 176.40 1i5l n TYR 34 N -0.53 -1.74 -3.60 1.90 0.18 -1.26 -1.33 117.16 110.78 1i5l n TYR 34 Ca -0.06 -1.25 -0.06 0.00 1.88 0.00 0.00 57.90 58.42 1i5l n TYR 34 Cb 0.60 0.55 -0.00 0.00 -0.38 0.00 0.00 39.34 40.11 1i5l n TYR 34 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 1i5l n ASP 35 N -1.42 -0.91 0.00 9.48 5.68 -1.20 -4.96 116.55 123.22 1i5l n ASP 35 Ca -0.05 -1.87 -0.01 0.00 -0.50 0.00 0.00 54.79 52.37 1i5l n ASP 35 Cb 0.38 1.59 -0.01 0.00 -1.14 0.00 0.00 41.12 41.94 1i5l n ASP 35 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1i5l h ILE 36 N 1.50 0.00 -0.88 2.12 5.03 -2.03 -1.63 117.51 121.61 1i5l h ILE 36 Ca -0.15 0.00 0.25 0.00 -0.12 0.00 0.00 64.86 64.84 1i5l h ILE 36 Cb 0.60 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 34.36 1i5l h ILE 36 CO 0.20 0.00 0.88 0.45 -0.68 0.00 0.00 178.15 179.00 1i5l h HIS 37 N -0.05 0.00 0.00 1.37 3.86 -2.01 -3.44 115.15 114.88 1i5l h HIS 37 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1i5l h HIS 37 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1i5l h HIS 37 CO -0.40 0.00 0.00 -0.12 0.86 0.00 0.00 177.93 178.27 1i5l n MET 38 N -3.59 0.00 -1.23 2.45 1.56 -0.61 -4.62 117.12 111.08 1i5l n MET 38 Ca 0.19 0.04 -0.31 0.00 -0.27 0.00 0.00 57.70 57.35 1i5l n MET 38 Cb 1.17 -0.92 0.10 0.00 2.15 0.00 0.00 33.22 35.72 1i5l n MET 38 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1i5l s ASN 39 N -2.25 4.27 0.08 6.12 0.01 -1.26 -3.80 114.94 118.10 1i5l s ASN 39 Ca 0.00 1.78 0.02 0.00 -0.71 0.00 0.00 52.86 53.95 1i5l s ASN 39 Cb 0.00 -2.46 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 1i5l s ASN 39 CO 0.00 -2.18 -0.08 -0.76 -1.51 0.00 0.00 177.10 172.57 1i5l s LEU 40 N -6.00 2.40 -0.04 0.60 1.43 -0.87 -3.24 118.68 112.96 1i5l s LEU 40 Ca 0.62 -0.80 0.06 0.00 -1.03 0.00 0.00 54.13 52.97 1i5l s LEU 40 Cb -0.17 -0.15 -0.01 0.00 0.03 0.00 0.00 46.19 45.89 1i5l s LEU 40 CO 0.56 -0.33 -0.21 -0.69 0.23 0.00 0.00 176.35 175.91 1i5l s VAL 41 N -2.57 1.71 -0.03 -1.59 1.01 -0.44 -1.04 120.40 117.45 1i5l s VAL 41 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1i5l s VAL 41 Cb -0.02 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.94 1i5l s VAL 41 CO -0.02 0.48 0.00 -0.76 0.00 0.00 0.00 175.10 174.81 1i5l s LEU 42 N -0.23 1.08 0.48 3.92 1.43 -0.50 -1.55 118.68 123.31 1i5l s LEU 42 Ca 0.01 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.05 1i5l s LEU 42 Cb -0.11 -0.24 -0.01 0.00 0.03 0.00 0.00 46.19 45.86 1i5l s LEU 42 CO 0.01 -0.11 0.74 -0.76 0.23 0.00 0.00 176.35 176.46 1i5l s LEU 43 N 1.14 3.59 -0.03 1.79 1.43 -0.55 -0.66 118.68 125.39 1i5l s LEU 43 Ca -0.08 0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 53.57 1i5l s LEU 43 Cb -0.13 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1i5l s LEU 43 CO -0.02 -0.70 0.05 0.47 0.23 0.00 0.00 176.35 176.38 1i5l n ASP 44 N -2.21 -0.97 -4.24 2.29 9.92 0.24 -2.67 116.55 118.91 1i5l n ASP 44 Ca 0.01 0.02 -0.13 0.00 -0.53 0.00 0.00 54.79 54.16 1i5l n ASP 44 Cb 0.57 -0.25 -0.10 0.00 -0.64 0.00 0.00 41.12 40.69 1i5l n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i5l s ALA 45 N -0.19 1.35 -0.03 2.24 0.00 -0.91 -4.21 121.76 120.00 1i5l s ALA 45 Ca 0.03 -1.54 0.06 0.00 0.00 0.00 0.00 51.96 50.51 1i5l s ALA 45 Cb -0.00 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 1i5l s ALA 45 CO 0.07 -0.25 -0.21 -1.21 0.00 0.00 0.00 175.76 174.16 1i5l s GLU 46 N -3.86 1.89 0.21 0.00 2.02 -0.91 -0.15 118.70 117.91 1i5l s GLU 46 Ca 0.20 -0.74 -0.28 0.00 0.02 0.00 0.00 54.97 54.17 1i5l s GLU 46 Cb 0.05 -1.73 -0.09 0.00 0.10 0.00 0.00 34.13 32.47 1i5l s GLU 46 CO 0.02 0.38 0.88 -2.00 0.02 0.00 0.00 175.26 174.56 1i5l s GLU 47 N -0.28 4.75 -0.33 1.61 2.12 -0.92 -2.05 118.70 123.60 1i5l s GLU 47 Ca 0.03 1.36 0.01 0.00 0.36 0.00 0.00 54.97 56.73 1i5l s GLU 47 Cb -0.10 -3.27 0.14 0.00 0.26 0.00 0.00 34.13 31.16 1i5l s GLU 47 CO 0.01 0.53 0.31 0.42 -0.54 0.00 0.00 175.26 176.00 1i5l s ILE 48 N -1.15 -0.31 -0.11 -3.70 1.01 0.45 -2.13 121.20 115.26 1i5l s ILE 48 Ca 0.39 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 60.18 1i5l s ILE 48 Cb -0.25 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 1i5l s ILE 48 CO 0.30 -0.58 0.09 -0.61 0.00 0.00 0.00 174.94 174.14 1i5l h GLN 49 N 7.67 0.00 -5.84 2.79 5.75 -1.88 -1.78 115.11 121.83 1i5l h GLN 49 Ca -0.05 0.00 -0.60 0.00 -0.15 0.00 0.00 58.65 57.86 1i5l h GLN 49 Cb 1.05 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 29.51 1i5l h GLN 49 CO 0.28 0.14 0.46 -0.80 -2.65 0.00 0.00 178.83 176.26 1i5l s ASN 50 N -5.67 6.70 0.00 -0.69 -0.87 -1.26 -4.75 114.94 108.41 1i5l s ASN 50 Ca -0.04 0.73 0.00 0.00 -1.57 0.00 0.00 52.86 51.98 1i5l s ASN 50 Cb -0.00 -2.43 0.00 0.00 -0.02 0.00 0.00 41.25 38.80 1i5l s ASN 50 CO 0.11 -0.65 0.61 0.61 -2.57 0.00 0.00 177.10 175.22 1i5l n GLY 51 N 4.14 0.00 0.00 0.66 0.00 -1.26 -4.19 105.19 104.53 1i5l n GLY 51 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1i5l n GLY 51 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1i5l n GLU 52 N 2.88 0.00 -3.54 1.61 4.07 -1.26 -5.15 120.64 119.26 1i5l n GLU 52 Ca 0.00 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.99 1i5l n GLU 52 Cb 0.30 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.58 1i5l n GLU 52 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1i5l s VAL 53 N 1.53 -0.56 -0.23 6.31 1.01 -1.26 -4.84 120.40 122.36 1i5l s VAL 53 Ca 0.00 0.09 0.14 0.00 0.00 0.00 0.00 61.98 62.21 1i5l s VAL 53 Cb 0.00 -0.67 -0.20 0.00 0.00 0.00 0.00 36.38 35.51 1i5l s VAL 53 CO 0.00 -0.01 0.41 0.52 0.00 0.00 0.00 175.10 176.02 1i5l n VAL 54 N 5.37 0.00 0.00 2.92 0.31 -0.90 -5.05 118.33 120.97 1i5l n VAL 54 Ca -0.06 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1i5l n VAL 54 Cb 0.50 0.45 0.00 0.00 -0.91 0.00 0.00 33.84 33.88 1i5l n VAL 54 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1i5l n ARG 55 N -1.77 -1.35 -4.15 5.55 1.85 -1.23 -4.95 116.66 110.60 1i5l n ARG 55 Ca -0.01 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.71 1i5l n ARG 55 Cb 0.32 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.62 1i5l n ARG 55 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1i5l s LYS 56 N -2.00 0.78 -0.24 2.89 1.02 -1.26 -2.15 119.74 118.77 1i5l s LYS 56 Ca 0.00 -1.11 -0.04 0.00 0.02 0.00 0.00 55.97 54.84 1i5l s LYS 56 Cb 0.00 -0.42 0.13 0.00 -0.52 0.00 0.00 37.83 37.02 1i5l s LYS 56 CO 0.00 0.06 0.44 0.14 -0.92 0.00 0.00 175.35 175.07 1i5l s VAL 57 N -2.44 -0.71 0.30 3.17 -7.23 0.79 -4.98 120.40 109.30 1i5l s VAL 57 Ca 0.03 0.03 0.24 0.00 -1.81 0.00 0.00 61.98 60.47 1i5l s VAL 57 Cb -0.03 -0.80 0.36 0.00 0.56 0.00 0.00 36.38 36.47 1i5l s VAL 57 CO -0.01 -0.03 0.97 0.61 -0.31 0.00 0.00 175.10 176.34 1i5l n GLY 58 N 5.39 -0.55 3.60 2.32 0.00 -1.26 -2.14 105.19 112.54 1i5l n GLY 58 Ca -0.06 0.46 -0.00 0.00 0.00 0.00 0.00 46.02 46.43 1i5l n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i5l s SER 59 N -4.24 -0.06 0.01 1.61 1.04 -1.26 0.80 113.70 111.60 1i5l s SER 59 Ca -0.04 -0.05 -0.22 0.00 0.48 0.00 0.00 55.95 56.12 1i5l s SER 59 Cb 0.19 0.10 0.05 0.00 0.10 0.00 0.00 66.02 66.45 1i5l s SER 59 CO 0.53 -0.17 0.49 0.68 0.98 0.00 0.00 173.24 175.75 1i5l s VAL 60 N -2.26 0.03 -0.15 5.02 -7.23 0.16 -4.95 120.40 111.02 1i5l s VAL 60 Ca 0.13 -0.27 0.01 0.00 -1.81 0.00 0.00 61.98 60.04 1i5l s VAL 60 Cb 0.03 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 36.08 1i5l s VAL 60 CO -0.04 -0.15 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.73 1i5l s VAL 61 N -1.86 2.40 -0.06 1.32 1.01 -1.26 -1.40 120.40 120.55 1i5l s VAL 61 Ca -0.09 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1i5l s VAL 61 Cb -0.02 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1i5l s VAL 61 CO 0.03 0.53 -0.08 -0.63 0.00 0.00 0.00 175.10 174.94 1i5l s ILE 62 N 0.86 3.59 -0.24 2.22 1.01 -0.20 -4.97 121.20 123.47 1i5l s ILE 62 Ca -0.05 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 59.76 1i5l s ILE 62 Cb -0.15 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.86 1i5l s ILE 62 CO -0.02 0.58 1.08 -0.13 0.00 0.00 0.00 174.94 176.45 1i5l s ARG 63 N -0.86 4.21 0.57 2.79 1.81 -1.26 -2.04 118.95 124.16 1i5l s ARG 63 Ca 0.13 1.34 0.33 0.00 -1.72 0.00 0.00 55.73 55.80 1i5l s ARG 63 Cb -0.11 -3.68 1.44 0.00 -0.45 0.00 0.00 34.95 32.15 1i5l s ARG 63 CO 0.02 -0.70 1.75 0.78 -0.68 0.00 0.00 175.30 176.47 1i5l h GLY 64 N 9.64 0.00 2.00 -3.53 0.00 -1.82 0.70 103.07 110.06 1i5l h GLY 64 Ca -0.20 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1i5l h GLY 64 CO 0.99 0.00 -0.05 -1.80 0.00 0.00 0.00 176.54 175.68 1i5l h ASP 65 N 0.00 0.00 1.56 0.19 -0.00 -1.88 -2.27 116.42 114.03 1i5l h ASP 65 Ca 0.45 0.00 -0.09 0.00 -0.00 0.00 0.00 57.03 57.39 1i5l h ASP 65 Cb 2.06 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 41.38 1i5l h ASP 65 CO -0.00 0.05 -0.44 0.74 -0.00 0.00 0.00 179.24 179.59 1i5l h THR 66 N 0.00 0.75 -3.76 2.25 2.02 0.04 -3.48 112.91 110.73 1i5l h THR 66 Ca -0.00 -2.06 -0.51 0.00 0.77 0.00 0.00 66.41 64.61 1i5l h THR 66 Cb 0.10 2.37 0.03 0.00 -1.74 0.00 0.00 68.15 68.91 1i5l h THR 66 CO 0.01 0.43 0.54 -0.69 0.37 0.00 0.00 175.52 176.17 1i5l s VAL 67 N -2.99 3.29 -0.20 3.16 1.01 -0.86 -0.81 120.40 123.01 1i5l s VAL 67 Ca 0.04 1.25 -0.09 0.00 0.00 0.00 0.00 61.98 63.19 1i5l s VAL 67 Cb 0.07 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 1i5l s VAL 67 CO 0.74 0.28 -0.24 0.52 0.00 0.00 0.00 175.10 176.39 1i5l n VAL 68 N 1.33 1.08 -3.51 2.92 0.31 0.23 -4.82 118.33 115.86 1i5l n VAL 68 Ca 0.00 -0.29 -0.13 0.00 -0.01 0.00 0.00 64.34 63.91 1i5l n VAL 68 Cb 0.44 -1.70 -0.04 0.00 -0.91 0.00 0.00 33.84 31.63 1i5l n VAL 68 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1i5l s PHE 69 N -2.36 -0.48 -0.06 3.52 -0.12 -1.16 -5.00 117.98 112.32 1i5l s PHE 69 Ca -0.27 0.41 0.02 0.00 -0.05 0.00 0.00 56.93 57.04 1i5l s PHE 69 Cb 0.10 0.44 0.01 0.00 -0.63 0.00 0.00 43.02 42.94 1i5l s PHE 69 CO 0.36 -0.74 -0.12 0.08 -0.05 0.00 0.00 175.22 174.75 1i5l s VAL 70 N -3.05 1.09 -0.01 -2.49 1.01 -1.26 -1.90 120.40 113.79 1i5l s VAL 70 Ca -0.02 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 1i5l s VAL 70 Cb -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1i5l s VAL 70 CO -0.07 0.34 0.04 -0.94 0.00 0.00 0.00 175.10 174.48 1i5l s SER 71 N 0.60 -0.01 0.18 3.32 1.04 -0.92 -5.01 113.70 112.90 1i5l s SER 71 Ca -0.13 0.01 -0.32 0.00 0.48 0.00 0.00 55.95 55.99 1i5l s SER 71 Cb -0.15 0.10 -0.12 0.00 0.10 0.00 0.00 66.02 65.95 1i5l s SER 71 CO 0.03 -0.06 1.72 -2.65 0.98 0.00 0.00 173.24 173.26 1i5l n PRO 72 N 2.83 2.67 -2.81 4.02 -0.02 -1.26 -1.72 135.00 138.72 1i5l n PRO 72 Ca -0.14 0.96 -0.43 0.00 -2.02 0.00 0.00 63.50 61.88 1i5l n PRO 72 Cb 0.59 -2.81 -0.04 0.00 -0.02 0.00 0.00 33.50 31.22 1i5l n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i5l s ALA 73 N 1.43 3.08 -1.02 3.55 0.00 -1.06 -4.85 121.76 122.87 1i5l s ALA 73 Ca 0.77 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1i5l s ALA 73 Cb -0.53 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 18.71 1i5l s ALA 73 CO 0.34 -2.72 0.26 -2.30 0.00 0.00 0.00 175.76 171.34