#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 0.46 0.12 -0.52 6.06 -1.26 -5.09 118.95 118.72 1i5l s ARG 4 Ca 0.00 0.83 -0.23 0.00 -2.50 0.00 0.00 55.73 53.82 1i5l s ARG 4 Cb 0.00 0.46 -0.05 0.00 0.06 0.00 0.00 34.95 35.42 1i5l s ARG 4 CO 0.00 -0.48 1.27 -2.30 -2.50 0.00 0.00 175.30 171.28 1i5l n PRO 5 N 5.44 -0.33 -0.24 5.12 -0.02 -1.26 -0.61 135.00 143.09 1i5l n PRO 5 Ca -0.03 1.24 0.12 0.00 -2.02 0.00 0.00 63.50 62.81 1i5l n PRO 5 Cb 0.52 -1.83 0.40 0.00 -0.02 0.00 0.00 33.50 32.57 1i5l n PRO 5 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1i5l h LEU 6 N 0.00 0.61 -1.13 2.45 3.38 -2.00 -0.58 115.31 118.04 1i5l h LEU 6 Ca 0.12 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1i5l h LEU 6 Cb 0.31 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1i5l h LEU 6 CO -0.71 0.32 0.05 0.44 0.09 0.00 0.00 178.44 178.63 1i5l h ASP 7 N 0.65 0.62 -0.49 -0.43 3.32 -1.29 -1.82 116.42 116.98 1i5l h ASP 7 Ca 0.42 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 1i5l h ASP 7 Cb 0.70 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1i5l h ASP 7 CO -0.18 0.66 0.10 0.58 -1.72 0.00 0.00 179.24 178.68 1i5l h VAL 8 N 0.64 1.24 0.06 -1.35 2.07 -0.73 -0.93 116.25 117.25 1i5l h VAL 8 Ca 0.14 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1i5l h VAL 8 Cb 0.32 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1i5l h VAL 8 CO 0.01 0.33 -0.03 -0.07 0.02 0.00 0.00 177.57 177.82 1i5l h LEU 9 N 0.81 -0.07 -0.78 2.57 3.38 -1.16 -2.68 115.31 117.38 1i5l h LEU 9 Ca 0.17 -0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.25 1i5l h LEU 9 Cb 0.35 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.01 1i5l h LEU 9 CO 0.01 0.00 0.29 -1.13 0.09 0.00 0.00 178.44 177.69 1i5l h ASN 10 N -0.14 0.22 0.10 -0.43 -0.73 -0.73 0.52 115.58 114.38 1i5l h ASN 10 Ca -0.01 0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.29 1i5l h ASN 10 Cb 0.12 0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.84 1i5l h ASN 10 CO 0.01 0.05 0.00 -1.14 -0.37 0.00 0.00 177.43 175.98 1i5l n ARG 11 N -5.05 0.25 -0.11 6.67 0.63 -0.41 -2.15 116.66 116.49 1i5l n ARG 11 Ca 0.16 0.10 0.03 0.00 -0.92 0.00 0.00 57.85 57.22 1i5l n ARG 11 Cb 0.48 -1.50 0.09 0.00 0.45 0.00 0.00 32.46 31.98 1i5l n ARG 11 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1i5l n SER 12 N -1.15 2.55 -4.74 6.15 7.64 0.18 -5.03 113.62 119.22 1i5l n SER 12 Ca 0.07 -2.03 -0.37 0.00 1.01 0.00 0.00 58.87 57.54 1i5l n SER 12 Cb 0.06 -0.14 0.06 0.00 -1.01 0.00 0.00 64.21 63.18 1i5l n SER 12 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1i5l s LEU 13 N -1.05 3.68 -0.05 -3.43 1.43 -0.92 -2.55 118.68 115.80 1i5l s LEU 13 Ca 0.14 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.90 1i5l s LEU 13 Cb 0.08 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.80 1i5l s LEU 13 CO 0.09 -1.83 0.00 0.29 0.23 0.00 0.00 176.35 175.12 1i5l n LYS 14 N -1.58 -1.98 -4.33 1.70 5.02 -0.01 -4.96 118.16 112.03 1i5l n LYS 14 Ca 0.14 0.51 -0.26 0.00 -2.02 0.00 0.00 58.31 56.68 1i5l n LYS 14 Cb 0.47 -5.00 -0.09 0.00 -0.02 0.00 0.00 35.03 30.39 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 -2.02 4.12 0.52 4.39 1.04 -1.06 -4.88 113.70 115.81 1i5l s SER 15 Ca 0.00 -0.69 -0.20 0.00 0.48 0.00 0.00 55.95 55.54 1i5l s SER 15 Cb 0.00 -0.63 -0.06 0.00 0.10 0.00 0.00 66.02 65.43 1i5l s SER 15 CO 0.00 0.08 1.14 -2.16 0.98 0.00 0.00 173.24 173.28 1i5l s PRO 16 N -3.07 3.47 0.04 4.02 0.04 -1.26 -2.17 135.00 136.07 1i5l s PRO 16 Ca 0.26 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1i5l s PRO 16 Cb -0.08 -2.12 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 1i5l s PRO 16 CO 0.15 -0.76 0.05 1.33 0.04 0.00 0.00 177.00 177.81 1i5l n VAL 17 N -1.07 0.00 -3.69 -0.36 0.24 -0.12 -2.98 118.33 110.35 1i5l n VAL 17 Ca 0.10 -0.20 -0.16 0.00 -2.04 0.00 0.00 64.34 62.04 1i5l n VAL 17 Cb 0.50 0.12 -0.16 0.00 -1.47 0.00 0.00 33.84 32.83 1i5l n VAL 17 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1i5l s ILE 18 N -2.39 -0.20 0.00 1.34 1.01 -0.19 -3.13 121.20 117.64 1i5l s ILE 18 Ca 0.03 0.33 0.03 0.00 0.00 0.00 0.00 60.65 61.05 1i5l s ILE 18 Cb -0.00 -0.26 -0.03 0.00 0.01 0.00 0.00 42.46 42.17 1i5l s ILE 18 CO 0.02 0.14 -0.08 -0.69 0.00 0.00 0.00 174.94 174.33 1i5l s VAL 19 N 2.04 3.55 -0.23 2.92 1.01 -0.97 -1.79 120.40 126.93 1i5l s VAL 19 Ca 0.01 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1i5l s VAL 19 Cb -0.12 -2.53 0.06 0.00 0.00 0.00 0.00 36.38 33.78 1i5l s VAL 19 CO -0.05 0.40 -0.06 -0.60 0.00 0.00 0.00 175.10 174.79 1i5l s ARG 20 N -1.38 1.66 0.60 2.72 6.06 -0.45 -2.72 118.95 125.44 1i5l s ARG 20 Ca 0.16 -0.97 -0.06 0.00 -2.50 0.00 0.00 55.73 52.37 1i5l s ARG 20 Cb -0.11 -2.56 0.02 0.00 0.06 0.00 0.00 34.95 32.35 1i5l s ARG 20 CO 0.07 -0.58 0.90 -0.51 -2.50 0.00 0.00 175.30 172.68 1i5l s LEU 21 N 1.40 3.20 1.13 -0.88 1.43 -1.05 -0.27 118.68 123.63 1i5l s LEU 21 Ca -0.05 0.64 -0.14 0.00 -1.03 0.00 0.00 54.13 53.56 1i5l s LEU 21 Cb -0.19 -3.45 0.26 0.00 0.03 0.00 0.00 46.19 42.84 1i5l s LEU 21 CO -0.06 -1.12 1.05 -0.54 0.23 0.00 0.00 176.35 175.90 1i5l s LYS 22 N -5.00 -0.61 0.00 1.70 1.02 -0.87 -3.02 119.74 112.97 1i5l s LYS 22 Ca 0.55 0.59 0.00 0.00 0.02 0.00 0.00 55.97 57.12 1i5l s LYS 22 Cb -0.11 -1.61 0.00 0.00 -0.52 0.00 0.00 37.83 35.59 1i5l s LYS 22 CO 0.45 -3.45 0.00 0.41 -0.92 0.00 0.00 175.35 171.84 1i5l n GLY 23 N -0.02 1.25 0.00 -3.33 0.00 -1.26 -4.24 105.19 97.60 1i5l n GLY 23 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 1.03 3.81 -0.02 0.00 -1.17 -5.15 105.19 103.69 1i5l n GLY 24 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1i5l n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i5l s ARG 25 N 0.00 0.16 -0.28 1.61 0.52 -1.26 -4.71 118.95 115.00 1i5l s ARG 25 Ca 0.00 -0.20 -0.19 0.00 -0.52 0.00 0.00 55.73 54.82 1i5l s ARG 25 Cb 0.00 -1.77 0.11 0.00 0.52 0.00 0.00 34.95 33.81 1i5l s ARG 25 CO 0.00 -2.77 0.85 -1.83 0.02 0.00 0.00 175.30 171.58 1i5l s GLU 26 N -5.66 0.59 0.53 3.54 -1.05 0.04 -2.53 118.70 114.15 1i5l s GLU 26 Ca 0.71 0.89 -0.04 0.00 -0.15 0.00 0.00 54.97 56.38 1i5l s GLU 26 Cb -0.07 0.18 -0.00 0.00 -0.44 0.00 0.00 34.13 33.80 1i5l s GLU 26 CO 0.54 -0.10 0.81 -0.06 0.95 0.00 0.00 175.26 177.39 1i5l s PHE 27 N 1.07 3.30 -0.05 4.83 0.40 -1.10 -0.74 117.98 125.69 1i5l s PHE 27 Ca -0.06 0.54 -0.02 0.00 -0.60 0.00 0.00 56.93 56.80 1i5l s PHE 27 Cb -0.05 -2.52 0.03 0.00 0.51 0.00 0.00 43.02 41.00 1i5l s PHE 27 CO -0.12 -0.57 0.08 1.03 0.70 0.00 0.00 175.22 176.34 1i5l s ARG 28 N -4.81 -0.03 0.00 0.44 0.52 -0.73 -2.28 118.95 112.06 1i5l s ARG 28 Ca 0.51 0.38 0.00 0.00 -0.52 0.00 0.00 55.73 56.10 1i5l s ARG 28 Cb -0.10 -0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.00 1i5l s ARG 28 CO 0.43 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.89 1i5l n GLY 29 N 4.94 -1.26 3.61 -3.53 0.00 -1.18 -1.41 105.19 106.36 1i5l n GLY 29 Ca -0.11 -0.89 -0.41 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 -3.00 4.90 -0.39 2.61 2.01 -0.38 -0.95 115.64 120.43 1i5l s THR 30 Ca 0.00 1.00 -0.27 0.00 0.31 0.00 0.00 61.69 62.73 1i5l s THR 30 Cb 0.00 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1i5l s THR 30 CO 0.00 -0.16 2.13 -0.22 -0.69 0.00 0.00 174.62 175.68 1i5l s LEU 31 N 2.71 3.42 0.07 4.42 2.96 -0.92 -1.36 118.68 129.98 1i5l s LEU 31 Ca 0.28 1.25 0.22 0.00 -0.22 0.00 0.00 54.13 55.66 1i5l s LEU 31 Cb -0.15 -3.03 -0.17 0.00 0.50 0.00 0.00 46.19 43.34 1i5l s LEU 31 CO 0.12 -2.27 0.76 -0.67 -1.32 0.00 0.00 176.35 172.96 1i5l n ASP 32 N 12.92 0.41 -2.62 3.68 2.03 0.11 -0.83 116.55 132.24 1i5l n ASP 32 Ca 0.29 0.11 0.01 0.00 0.52 0.00 0.00 54.79 55.73 1i5l n ASP 32 Cb 0.50 1.26 0.01 0.00 -0.72 0.00 0.00 41.12 42.17 1i5l n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i5l n GLY 33 N 1.24 0.41 3.90 0.27 0.00 -1.22 -4.84 105.19 104.95 1i5l n GLY 33 Ca -0.02 -0.96 0.02 0.00 0.00 0.00 0.00 46.02 45.06 1i5l n GLY 33 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i5l s TYR 34 N -2.52 0.02 0.28 1.61 -0.85 -1.26 -3.03 117.35 111.59 1i5l s TYR 34 Ca 0.17 -0.15 -0.16 0.00 -0.52 0.00 0.00 57.07 56.41 1i5l s TYR 34 Cb -0.00 0.57 0.01 0.00 0.38 0.00 0.00 41.96 42.92 1i5l s TYR 34 CO -0.00 -0.33 0.61 0.16 -1.52 0.00 0.00 175.55 174.47 1i5l s ASP 35 N -3.60 -0.10 0.28 -0.18 1.47 -1.07 -4.93 116.67 108.55 1i5l s ASP 35 Ca 0.26 -0.84 0.05 0.00 1.18 0.00 0.00 52.55 53.19 1i5l s ASP 35 Cb 0.00 0.68 0.75 0.00 -0.34 0.00 0.00 42.92 44.01 1i5l s ASP 35 CO -0.01 -1.30 1.36 0.00 0.68 0.00 0.00 175.17 175.90 1i5l n ILE 36 N -0.44 -0.36 0.85 2.11 0.13 -1.26 0.17 119.36 120.56 1i5l n ILE 36 Ca -0.03 1.87 0.11 0.00 -1.10 0.00 0.00 62.75 63.61 1i5l n ILE 36 Cb 0.60 -2.79 0.52 0.00 -0.84 0.00 0.00 39.64 37.13 1i5l n ILE 36 CO 0.00 0.00 0.00 1.41 2.80 0.00 0.00 176.55 180.76 1i5l n HIS 37 N -5.20 0.00 -1.91 9.51 8.25 -1.26 -4.88 115.22 119.73 1i5l n HIS 37 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1i5l n HIS 37 Cb 0.75 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.39 1i5l n HIS 37 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1i5l n MET 38 N -1.47 0.00 -2.50 -0.41 1.56 0.45 -4.46 117.12 110.29 1i5l n MET 38 Ca 0.06 0.00 -0.37 0.00 -0.27 0.00 0.00 57.70 57.12 1i5l n MET 38 Cb 0.26 -3.07 -0.04 0.00 2.15 0.00 0.00 33.22 32.52 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 -2.92 6.84 0.39 6.12 0.01 -1.25 -3.91 114.94 120.23 1i5l s ASN 39 Ca 0.00 2.12 0.08 0.00 -0.71 0.00 0.00 52.86 54.34 1i5l s ASN 39 Cb 0.00 -2.60 -0.08 0.00 0.41 0.00 0.00 41.25 38.99 1i5l s ASN 39 CO 0.00 -0.44 -0.01 -0.76 -1.51 0.00 0.00 177.10 174.38 1i5l s LEU 40 N -2.37 2.85 -0.04 0.60 1.43 -0.73 -2.58 118.68 117.84 1i5l s LEU 40 Ca 0.55 -1.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.31 1i5l s LEU 40 Cb -0.25 -0.93 0.03 0.00 0.03 0.00 0.00 46.19 45.06 1i5l s LEU 40 CO 0.32 -0.39 0.05 -0.69 0.23 0.00 0.00 176.35 175.86 1i5l s VAL 41 N -2.68 -0.05 -0.03 -1.59 1.01 -1.17 -1.44 120.40 114.45 1i5l s VAL 41 Ca 0.34 0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.75 1i5l s VAL 41 Cb 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.27 1i5l s VAL 41 CO 0.18 0.17 -0.23 -0.76 0.00 0.00 0.00 175.10 174.46 1i5l s LEU 42 N 1.93 2.04 0.07 3.92 1.43 -0.68 0.05 118.68 127.43 1i5l s LEU 42 Ca 0.02 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 1i5l s LEU 42 Cb -0.12 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1i5l s LEU 42 CO -0.03 0.27 -0.02 -0.76 0.23 0.00 0.00 176.35 176.03 1i5l s LEU 43 N -0.42 3.38 -0.96 1.79 1.43 -0.46 -1.36 118.68 122.07 1i5l s LEU 43 Ca 0.05 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 1i5l s LEU 43 Cb -0.10 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.06 1i5l s LEU 43 CO 0.00 0.20 0.66 0.47 0.23 0.00 0.00 176.35 177.91 1i5l n ASP 44 N 0.83 -4.95 -4.74 2.29 9.92 0.37 -1.25 116.55 119.02 1i5l n ASP 44 Ca -0.12 -1.00 -0.25 0.00 -0.53 0.00 0.00 54.79 52.89 1i5l n ASP 44 Cb 0.52 -2.16 -0.07 0.00 -0.64 0.00 0.00 41.12 38.77 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 -3.19 3.60 0.04 2.24 0.00 -0.93 -4.41 121.76 119.11 1i5l s ALA 45 Ca 0.19 -2.04 0.03 0.00 0.00 0.00 0.00 51.96 50.14 1i5l s ALA 45 Cb -0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 1i5l s ALA 45 CO 0.90 -0.17 -0.08 -1.21 0.00 0.00 0.00 175.76 175.20 1i5l s GLU 46 N -3.90 0.56 -0.17 0.00 2.02 -0.50 -1.92 118.70 114.79 1i5l s GLU 46 Ca 0.39 -0.73 -0.09 0.00 0.02 0.00 0.00 54.97 54.56 1i5l s GLU 46 Cb 0.04 -0.37 -0.05 0.00 0.10 0.00 0.00 34.13 33.85 1i5l s GLU 46 CO 0.21 0.07 0.12 -2.00 0.02 0.00 0.00 175.26 173.69 1i5l s GLU 47 N -1.47 3.92 -0.02 1.61 2.12 0.72 -1.78 118.70 123.81 1i5l s GLU 47 Ca -0.08 -0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.08 1i5l s GLU 47 Cb -0.09 -3.31 -0.01 0.00 0.26 0.00 0.00 34.13 30.97 1i5l s GLU 47 CO 0.01 0.44 -0.16 0.42 -0.54 0.00 0.00 175.26 175.43 1i5l s ILE 48 N -0.06 1.27 -0.05 -3.70 1.01 0.08 -0.26 121.20 119.50 1i5l s ILE 48 Ca 0.09 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.08 1i5l s ILE 48 Cb -0.11 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.31 1i5l s ILE 48 CO 0.00 0.36 -0.05 -1.58 0.00 0.00 0.00 174.94 173.67 1i5l s GLN 49 N -0.29 0.87 -0.01 2.79 0.74 -0.75 -0.78 119.66 122.23 1i5l s GLN 49 Ca 0.04 -0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.33 1i5l s GLN 49 Cb -0.07 -0.87 0.00 0.00 1.10 0.00 0.00 33.01 33.17 1i5l s GLN 49 CO -0.00 -0.07 0.00 -1.71 -0.55 0.00 0.00 175.29 172.95 1i5l n ASN 50 N 4.03 -0.29 0.00 6.67 2.85 -1.26 -0.13 115.26 127.12 1i5l n ASN 50 Ca -0.25 0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 1i5l n ASN 50 Cb 0.51 -0.65 0.00 0.00 1.24 0.00 0.00 39.78 40.88 1i5l n ASN 50 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1i5l n GLY 51 N -0.14 2.34 3.55 8.20 0.00 -1.26 -5.10 105.19 112.78 1i5l n GLY 51 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1i5l n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i5l s GLU 52 N -0.33 3.50 0.02 1.61 2.12 0.81 -5.07 118.70 121.37 1i5l s GLU 52 Ca 0.00 -0.49 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 1i5l s GLU 52 Cb 0.00 -2.89 -0.07 0.00 0.26 0.00 0.00 34.13 31.43 1i5l s GLU 52 CO 0.00 0.36 1.68 0.08 -0.54 0.00 0.00 175.26 176.84 1i5l s VAL 53 N 0.05 3.26 -2.48 3.70 1.01 -1.26 -1.81 120.40 122.87 1i5l s VAL 53 Ca 0.01 0.54 0.23 0.00 0.00 0.00 0.00 61.98 62.75 1i5l s VAL 53 Cb -0.13 -3.35 0.10 0.00 0.00 0.00 0.00 36.38 33.00 1i5l s VAL 53 CO 0.02 -0.02 1.16 1.33 0.00 0.00 0.00 175.10 177.59 1i5l n VAL 54 N 5.09 0.00 0.00 2.92 0.24 0.64 -4.96 118.33 122.26 1i5l n VAL 54 Ca 0.17 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 1i5l n VAL 54 Cb 0.42 1.38 0.00 0.00 -1.47 0.00 0.00 33.84 34.16 1i5l n VAL 54 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1i5l n ARG 55 N 0.71 0.00 -4.35 7.34 0.63 -1.24 -4.95 116.66 114.80 1i5l n ARG 55 Ca 0.11 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.80 1i5l n ARG 55 Cb 0.52 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.31 1i5l n ARG 55 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1i5l s LYS 56 N -2.00 1.17 -0.13 -0.14 1.02 -1.26 -0.20 119.74 118.20 1i5l s LYS 56 Ca 0.00 -1.12 -0.17 0.00 0.02 0.00 0.00 55.97 54.71 1i5l s LYS 56 Cb 0.00 -1.40 0.04 0.00 -0.52 0.00 0.00 37.83 35.95 1i5l s LYS 56 CO 0.00 0.33 0.44 0.14 -0.92 0.00 0.00 175.35 175.35 1i5l s VAL 57 N -1.09 0.01 0.26 3.17 -7.23 -0.81 -5.01 120.40 109.71 1i5l s VAL 57 Ca 0.07 -0.08 -0.03 0.00 -1.81 0.00 0.00 61.98 60.12 1i5l s VAL 57 Cb -0.10 -0.65 0.27 0.00 0.56 0.00 0.00 36.38 36.46 1i5l s VAL 57 CO 0.04 -0.05 1.89 1.23 -0.31 0.00 0.00 175.10 177.90 1i5l h GLY 58 N 4.98 1.52 -2.43 2.32 0.00 -1.93 -2.47 103.07 105.05 1i5l h GLY 58 Ca -0.28 -0.49 0.13 0.00 0.00 0.00 0.00 47.33 46.70 1i5l h GLY 58 CO 0.26 0.37 0.41 -1.35 0.00 0.00 0.00 176.54 176.23 1i5l s SER 59 N -5.94 -0.24 0.05 0.19 1.04 -1.26 -0.48 113.70 107.06 1i5l s SER 59 Ca -0.13 -0.37 -0.22 0.00 0.48 0.00 0.00 55.95 55.71 1i5l s SER 59 Cb 0.20 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.91 1i5l s SER 59 CO 0.82 -0.97 0.52 0.68 0.98 0.00 0.00 173.24 175.26 1i5l s VAL 60 N -3.44 0.03 -0.17 5.02 -7.23 -0.46 -4.97 120.40 109.18 1i5l s VAL 60 Ca 0.10 -0.25 0.01 0.00 -1.81 0.00 0.00 61.98 60.04 1i5l s VAL 60 Cb -0.02 -0.98 0.02 0.00 0.56 0.00 0.00 36.38 35.96 1i5l s VAL 60 CO 0.01 -0.14 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.77 1i5l s VAL 61 N -2.46 2.03 -0.23 1.32 1.01 -1.26 -1.69 120.40 119.12 1i5l s VAL 61 Ca -0.05 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 1i5l s VAL 61 Cb -0.01 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1i5l s VAL 61 CO -0.02 0.54 0.05 -0.63 0.00 0.00 0.00 175.10 175.04 1i5l s ILE 62 N 1.17 4.25 0.16 2.22 1.01 -0.52 -4.95 121.20 124.53 1i5l s ILE 62 Ca 0.02 -0.20 -0.31 0.00 0.00 0.00 0.00 60.65 60.15 1i5l s ILE 62 Cb -0.14 -2.96 -0.11 0.00 0.01 0.00 0.00 42.46 39.27 1i5l s ILE 62 CO -0.10 0.38 1.73 -0.13 0.00 0.00 0.00 174.94 176.82 1i5l s ARG 63 N 1.30 4.15 0.22 2.79 1.81 -1.26 -1.77 118.95 126.19 1i5l s ARG 63 Ca 0.05 2.54 -0.08 0.00 -1.72 0.00 0.00 55.73 56.51 1i5l s ARG 63 Cb -0.15 -3.33 0.30 0.00 -0.45 0.00 0.00 34.95 31.32 1i5l s ARG 63 CO 0.03 -0.76 1.77 0.78 -0.68 0.00 0.00 175.30 176.44 1i5l h GLY 64 N 7.63 0.98 1.42 -3.53 0.00 -1.78 -0.84 103.07 106.94 1i5l h GLY 64 Ca -0.44 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1i5l h GLY 64 CO 0.95 0.05 0.21 1.34 0.00 0.00 0.00 176.54 179.09 1i5l n ASP 65 N -4.89 0.38 0.05 0.19 4.64 -1.26 -1.01 116.55 114.64 1i5l n ASP 65 Ca 0.10 0.60 0.11 0.00 -1.38 0.00 0.00 54.79 54.22 1i5l n ASP 65 Cb 0.25 -0.58 0.04 0.00 -1.04 0.00 0.00 41.12 39.79 1i5l n ASP 65 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 1i5l n THR 66 N -2.07 0.28 -2.79 5.18 -1.04 -0.32 -4.96 114.28 108.56 1i5l n THR 66 Ca -0.01 -0.32 -0.38 0.00 -2.04 0.00 0.00 64.05 61.30 1i5l n THR 66 Cb 0.23 0.02 -0.06 0.00 -1.82 0.00 0.00 70.33 68.70 1i5l n THR 66 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i5l s VAL 67 N -3.24 4.18 -0.18 12.58 1.01 -0.18 -2.05 120.40 132.51 1i5l s VAL 67 Ca 0.03 1.91 -0.05 0.00 0.00 0.00 0.00 61.98 63.87 1i5l s VAL 67 Cb 0.13 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 1i5l s VAL 67 CO 0.79 0.32 -0.21 0.52 0.00 0.00 0.00 175.10 176.52 1i5l n VAL 68 N 1.02 1.02 -3.50 2.92 0.31 0.63 -4.88 118.33 115.85 1i5l n VAL 68 Ca -0.00 -0.31 -0.14 0.00 -0.01 0.00 0.00 64.34 63.87 1i5l n VAL 68 Cb 0.49 -1.50 -0.04 0.00 -0.91 0.00 0.00 33.84 31.88 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 -2.35 -0.56 -0.08 3.52 -0.12 -1.15 -4.99 117.98 112.25 1i5l s PHE 69 Ca -0.25 0.77 0.03 0.00 -0.05 0.00 0.00 56.93 57.43 1i5l s PHE 69 Cb 0.08 0.47 0.00 0.00 -0.63 0.00 0.00 43.02 42.94 1i5l s PHE 69 CO 0.36 -0.62 -0.19 0.08 -0.05 0.00 0.00 175.22 174.80 1i5l s VAL 70 N -2.00 1.66 -0.00 -2.49 1.01 -1.26 -1.34 120.40 115.98 1i5l s VAL 70 Ca -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1i5l s VAL 70 Cb -0.00 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.92 1i5l s VAL 70 CO 0.01 0.47 0.01 -0.55 0.00 0.00 0.00 175.10 175.04 1i5l s SER 71 N 0.44 0.02 0.61 3.32 0.15 -0.74 -4.98 113.70 112.53 1i5l s SER 71 Ca -0.16 0.01 -0.16 0.00 0.70 0.00 0.00 55.95 56.33 1i5l s SER 71 Cb -0.17 -0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.10 1i5l s SER 71 CO 0.06 -0.03 1.11 -2.16 1.20 0.00 0.00 173.24 173.42 1i5l s PRO 72 N 0.24 3.05 0.00 5.44 0.04 -1.26 -1.02 135.00 141.49 1i5l s PRO 72 Ca -0.02 1.43 0.13 0.00 0.04 0.00 0.00 61.00 62.58 1i5l s PRO 72 Cb -0.03 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.63 1i5l s PRO 72 CO -0.01 -1.06 0.91 0.00 0.04 0.00 0.00 177.00 176.89