#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibl s GLN 3 N 0.00 1.22 -0.28 5.31 2.00 -1.26 -4.46 119.66 122.18 1ibl s GLN 3 Ca 0.00 -1.46 -0.16 0.00 -2.00 0.00 0.00 55.36 51.74 1ibl s GLN 3 Cb 0.00 -1.06 0.10 0.00 0.80 0.00 0.00 33.01 32.86 1ibl s GLN 3 CO 0.00 0.19 0.79 0.71 -0.50 0.00 0.00 175.29 176.47 1ibl s TYR 4 N -2.65 -0.90 -0.02 1.67 1.51 -0.85 -4.94 117.35 111.17 1ibl s TYR 4 Ca 0.17 1.81 -0.06 0.00 -1.01 0.00 0.00 57.07 57.98 1ibl s TYR 4 Cb -0.02 0.54 0.01 0.00 -0.11 0.00 0.00 41.96 42.37 1ibl s TYR 4 CO 0.05 -0.45 0.13 -0.47 -1.11 0.00 0.00 175.55 173.71 1ibl s TYR 5 N 1.51 -0.04 0.05 2.71 6.14 -1.26 0.17 117.35 126.63 1ibl s TYR 5 Ca -0.09 0.09 -0.01 0.00 0.64 0.00 0.00 57.07 57.70 1ibl s TYR 5 Cb -0.05 -0.01 -0.04 0.00 0.42 0.00 0.00 41.96 42.29 1ibl s TYR 5 CO -0.18 -0.18 -0.03 0.20 0.64 0.00 0.00 175.55 176.00 1ibl s GLY 6 N -0.70 0.47 0.00 8.97 0.00 -0.62 -4.27 107.32 111.17 1ibl s GLY 6 Ca -0.08 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.46 1ibl s GLY 6 CO 0.01 -1.29 0.00 2.41 0.00 0.00 0.00 173.10 174.23 1ibl n THR 7 N 0.19 0.00 -0.07 0.90 -1.04 -1.26 -1.80 114.28 111.19 1ibl n THR 7 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1ibl n THR 7 Cb 0.61 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 1ibl n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ibl n GLY 8 N 3.12 -1.61 3.18 3.41 0.00 -1.26 -2.42 105.19 109.61 1ibl n GLY 8 Ca 0.00 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 1ibl n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibl s ARG 9 N -4.05 0.97 -0.29 1.61 0.52 -1.26 -2.08 118.95 114.36 1ibl s ARG 9 Ca 0.00 -1.39 -0.15 0.00 -0.52 0.00 0.00 55.73 53.66 1ibl s ARG 9 Cb 0.00 0.27 0.13 0.00 0.52 0.00 0.00 34.95 35.87 1ibl s ARG 9 CO 0.00 -0.29 0.87 0.50 0.02 0.00 0.00 175.30 176.40 1ibl s ARG 10 N -4.03 0.47 -0.68 3.54 6.06 -0.57 -4.52 118.95 119.21 1ibl s ARG 10 Ca 0.23 0.90 -0.07 0.00 -2.50 0.00 0.00 55.73 54.29 1ibl s ARG 10 Cb 0.07 0.24 0.01 0.00 0.06 0.00 0.00 34.95 35.33 1ibl s ARG 10 CO 0.01 -0.11 0.45 1.17 -2.50 0.00 0.00 175.30 174.32 1ibl n LYS 11 N 4.27 -0.93 -3.07 5.12 4.81 -1.26 -1.50 118.16 125.60 1ibl n LYS 11 Ca -0.17 0.35 -0.13 0.00 -0.87 0.00 0.00 58.31 57.50 1ibl n LYS 11 Cb 0.56 -1.58 0.05 0.00 0.02 0.00 0.00 35.03 34.08 1ibl n LYS 11 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ibl n GLU 12 N -2.61 -4.61 -3.67 1.64 4.07 -1.26 -4.87 120.64 109.34 1ibl n GLU 12 Ca -0.19 0.51 -0.15 0.00 -0.06 0.00 0.00 57.16 57.27 1ibl n GLU 12 Cb 0.48 -4.56 -0.08 0.00 -0.06 0.00 0.00 31.44 27.22 1ibl n GLU 12 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ibl s ALA 13 N -3.20 -1.28 -0.00 4.31 0.00 -0.56 -2.69 121.76 118.34 1ibl s ALA 13 Ca 0.25 1.11 0.05 0.00 0.00 0.00 0.00 51.96 53.37 1ibl s ALA 13 Cb -0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 1ibl s ALA 13 CO 0.44 -0.28 -0.15 0.08 0.00 0.00 0.00 175.76 175.85 1ibl s VAL 14 N -0.56 1.22 -0.08 0.00 1.01 -0.77 -1.51 120.40 119.70 1ibl s VAL 14 Ca -0.07 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1ibl s VAL 14 Cb -0.03 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.34 1ibl s VAL 14 CO 0.04 0.29 -0.08 0.00 0.00 0.00 0.00 175.10 175.34 1ibl s ALA 15 N -0.45 1.15 -0.37 5.51 0.00 -0.88 -1.45 121.76 125.27 1ibl s ALA 15 Ca 0.05 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 1ibl s ALA 15 Cb -0.06 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1ibl s ALA 15 CO -0.00 -0.14 0.48 1.03 0.00 0.00 0.00 175.76 177.13 1ibl s ARG 16 N 1.17 3.50 -0.25 0.00 0.52 0.15 -4.11 118.95 119.93 1ibl s ARG 16 Ca -0.06 -0.32 -0.03 0.00 -0.52 0.00 0.00 55.73 54.81 1ibl s ARG 16 Cb -0.14 -3.84 0.01 0.00 0.52 0.00 0.00 34.95 31.50 1ibl s ARG 16 CO -0.02 -0.68 -0.04 0.08 0.02 0.00 0.00 175.30 174.66 1ibl s VAL 17 N 2.32 3.16 -0.30 3.52 1.01 -0.75 -1.56 120.40 127.81 1ibl s VAL 17 Ca 0.17 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1ibl s VAL 17 Cb -0.16 -2.56 0.04 0.00 0.00 0.00 0.00 36.38 33.71 1ibl s VAL 17 CO 0.14 0.24 0.00 -0.36 0.00 0.00 0.00 175.10 175.12 1ibl s PHE 18 N 1.39 3.23 -0.26 5.22 0.40 -0.93 -1.59 117.98 125.45 1ibl s PHE 18 Ca 0.02 -1.77 -0.19 0.00 -0.60 0.00 0.00 56.93 54.39 1ibl s PHE 18 Cb -0.16 -2.11 -0.02 0.00 0.51 0.00 0.00 43.02 41.23 1ibl s PHE 18 CO -0.03 -0.78 0.57 -0.51 0.70 0.00 0.00 175.22 175.17 1ibl s LEU 19 N 1.28 4.06 0.02 -0.37 1.43 0.45 -0.93 118.68 124.61 1ibl s LEU 19 Ca -0.04 0.60 0.06 0.00 -1.03 0.00 0.00 54.13 53.72 1ibl s LEU 19 Cb -0.19 -2.76 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 1ibl s LEU 19 CO -0.01 -0.34 -0.18 -0.13 0.23 0.00 0.00 176.35 175.92 1ibl s ARG 20 N 2.42 1.35 0.84 1.70 0.52 0.35 -2.01 118.95 124.12 1ibl s ARG 20 Ca 0.24 -0.77 -0.10 0.00 -0.52 0.00 0.00 55.73 54.57 1ibl s ARG 20 Cb -0.16 -1.37 0.10 0.00 0.52 0.00 0.00 34.95 34.04 1ibl s ARG 20 CO 0.09 0.36 1.11 -2.14 0.02 0.00 0.00 175.30 174.74 1ibl s PRO 21 N -0.81 1.70 0.00 3.54 0.02 -1.26 0.17 135.00 138.36 1ibl s PRO 21 Ca 0.06 1.25 0.00 0.00 0.02 0.00 0.00 61.00 62.33 1ibl s PRO 21 Cb -0.08 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1ibl s PRO 21 CO 0.01 -2.06 0.00 0.41 -0.33 0.00 0.00 177.00 175.02 1ibl n GLY 22 N -0.71 -0.05 0.26 0.52 0.00 -1.25 -4.51 105.19 99.45 1ibl n GLY 22 Ca 0.10 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 1ibl n GLY 22 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ibl h ASN 23 N 0.00 -0.64 0.00 1.61 -0.00 -1.88 -3.36 115.58 111.31 1ibl h ASN 23 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 56.30 56.38 1ibl h ASN 23 Cb 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 38.32 38.56 1ibl h ASN 23 CO 0.00 -0.31 0.00 0.61 -0.00 0.00 0.00 177.43 177.73 1ibl n GLY 24 N -1.35 0.99 3.71 1.57 0.00 -1.10 -4.64 105.19 104.37 1ibl n GLY 24 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1ibl n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ibl s LYS 25 N 0.00 4.47 -0.04 1.61 -2.85 -1.26 -4.89 119.74 116.78 1ibl s LYS 25 Ca 0.00 1.16 -0.04 0.00 -1.00 0.00 0.00 55.97 56.09 1ibl s LYS 25 Cb 0.00 -3.47 -0.04 0.00 -2.06 0.00 0.00 37.83 32.26 1ibl s LYS 25 CO 0.00 -0.05 0.17 0.08 0.10 0.00 0.00 175.35 175.64 1ibl s VAL 26 N 1.12 5.42 -0.19 1.79 1.01 -1.26 -3.26 120.40 125.04 1ibl s VAL 26 Ca 0.44 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.30 1ibl s VAL 26 Cb -0.19 -3.49 0.07 0.00 0.00 0.00 0.00 36.38 32.77 1ibl s VAL 26 CO 0.22 0.40 0.09 -0.89 0.00 0.00 0.00 175.10 174.91 1ibl s THR 27 N -1.25 -0.02 -0.45 3.92 2.01 -0.85 -2.55 115.64 116.45 1ibl s THR 27 Ca 0.24 -0.28 -0.17 0.00 0.31 0.00 0.00 61.69 61.80 1ibl s THR 27 Cb -0.12 -0.67 0.04 0.00 0.01 0.00 0.00 72.50 71.76 1ibl s THR 27 CO 0.15 -0.33 0.42 -0.69 -0.69 0.00 0.00 174.62 173.48 1ibl s VAL 28 N 2.10 5.14 -1.15 3.82 1.01 -0.38 0.43 120.40 131.37 1ibl s VAL 28 Ca 0.03 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 1ibl s VAL 28 Cb -0.16 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1ibl s VAL 28 CO -0.12 -0.50 0.87 0.59 0.00 0.00 0.00 175.10 175.94 1ibl n ASN 29 N 5.47 -4.37 -3.70 3.32 4.13 0.42 -2.73 115.26 117.80 1ibl n ASN 29 Ca -0.09 -0.77 -0.29 0.00 1.68 0.00 0.00 54.58 55.11 1ibl n ASN 29 Cb 0.46 -4.64 0.03 0.00 -1.54 0.00 0.00 39.78 34.09 1ibl n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ibl n GLY 30 N -1.36 -0.81 3.51 7.41 0.00 -1.26 -4.98 105.19 107.70 1ibl n GLY 30 Ca -0.17 0.38 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 1ibl n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ibl s GLN 31 N -5.99 0.96 0.23 1.61 -0.21 -1.11 -5.11 119.66 110.05 1ibl s GLN 31 Ca 0.35 -0.00 -0.30 0.00 0.02 0.00 0.00 55.36 55.44 1ibl s GLN 31 Cb -0.12 0.45 -0.09 0.00 1.00 0.00 0.00 33.01 34.25 1ibl s GLN 31 CO 0.85 -0.35 1.26 0.34 -2.12 0.00 0.00 175.29 175.27 1ibl s ASP 32 N -1.69 6.97 0.33 5.90 -1.08 -1.26 -1.25 116.67 124.59 1ibl s ASP 32 Ca -0.04 2.40 0.09 0.00 -0.52 0.00 0.00 52.55 54.49 1ibl s ASP 32 Cb -0.00 -2.62 0.97 0.00 -1.46 0.00 0.00 42.92 39.81 1ibl s ASP 32 CO 0.00 -0.44 1.59 0.15 0.52 0.00 0.00 175.17 177.00 1ibl h PHE 33 N 4.72 0.36 -0.02 -5.34 3.57 -1.85 2.37 116.94 120.75 1ibl h PHE 33 Ca -0.46 0.06 -0.18 0.00 3.53 0.00 0.00 57.97 60.92 1ibl h PHE 33 Cb 1.22 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 1ibl h PHE 33 CO 0.60 -0.40 -0.78 -0.91 -2.23 0.00 0.00 178.31 174.59 1ibl h ASN 34 N 0.05 0.28 0.47 0.41 2.35 -1.88 -2.26 115.58 115.00 1ibl h ASN 34 Ca 0.69 -0.20 -0.09 0.00 -0.55 0.00 0.00 56.30 56.15 1ibl h ASN 34 Cb 1.59 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.87 1ibl h ASN 34 CO -0.82 0.95 -0.42 -0.08 -1.65 0.00 0.00 177.43 175.42 1ibl h GLU 35 N 0.14 0.00 0.00 0.81 4.57 0.34 -3.17 114.58 117.27 1ibl h GLU 35 Ca -0.03 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1ibl h GLU 35 Cb 1.37 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.96 1ibl h GLU 35 CO 0.12 0.42 -0.00 -0.92 -1.18 0.00 0.00 179.01 177.45 1ibl h TYR 36 N 0.00 -0.00 -0.42 0.92 3.20 -0.02 -3.35 116.97 117.29 1ibl h TYR 36 Ca -0.00 -0.00 -0.69 0.00 3.14 0.00 0.00 58.73 61.17 1ibl h TYR 36 Cb 0.77 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 1ibl h TYR 36 CO 0.00 0.38 3.33 1.19 -1.64 0.00 0.00 178.16 181.42 1ibl n PHE 37 N -4.72 2.48 -1.53 -3.82 0.99 -0.86 -4.92 117.46 105.09 1ibl n PHE 37 Ca -0.04 -2.99 -0.23 0.00 -0.00 0.00 0.00 57.45 54.18 1ibl n PHE 37 Cb 0.19 -2.25 -0.13 0.00 -1.00 0.00 0.00 39.48 36.28 1ibl n PHE 37 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 1ibl n GLN 38 N 2.89 0.36 -3.48 -1.08 0.00 -1.20 -3.21 117.38 111.66 1ibl n GLN 38 Ca 0.73 -0.31 -0.17 0.00 -0.00 0.00 0.00 57.00 57.25 1ibl n GLN 38 Cb 0.24 -2.42 0.01 0.00 0.00 0.00 0.00 30.24 28.07 1ibl n GLN 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ibl n GLY 39 N 6.20 -1.22 2.60 1.69 0.00 -1.26 -4.98 105.19 108.22 1ibl n GLY 39 Ca 0.56 0.52 -0.28 0.00 0.00 0.00 0.00 46.02 46.82 1ibl n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ibl s LEU 40 N -4.93 2.47 0.00 0.99 1.43 -1.20 -5.06 118.68 112.39 1ibl s LEU 40 Ca 0.11 -3.05 0.00 0.00 -1.03 0.00 0.00 54.13 50.16 1ibl s LEU 40 Cb -0.04 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.32 1ibl s LEU 40 CO 0.83 -0.19 0.00 0.52 0.23 0.00 0.00 176.35 177.74 1ibl n VAL 41 N 2.94 0.00 -0.25 -1.59 0.31 -1.26 -0.09 118.33 118.39 1ibl n VAL 41 Ca 0.20 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.64 1ibl n VAL 41 Cb 0.40 0.00 0.37 0.00 -0.91 0.00 0.00 33.84 33.71 1ibl n VAL 41 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1ibl h ARG 42 N 0.00 0.69 0.00 5.55 3.08 -2.00 -3.30 114.38 118.40 1ibl h ARG 42 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1ibl h ARG 42 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1ibl h ARG 42 CO 0.00 0.45 0.00 0.00 -1.07 0.00 0.00 179.97 179.35 1ibl n ALA 43 N -2.44 0.00 -0.23 0.04 0.00 0.87 0.16 120.51 118.91 1ibl n ALA 43 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 1ibl n ALA 43 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 1ibl n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ibl n VAL 44 N -3.77 -0.38 -0.10 0.00 0.31 -1.24 0.42 118.33 113.57 1ibl n VAL 44 Ca 0.00 1.44 0.00 0.00 -0.01 0.00 0.00 64.34 65.77 1ibl n VAL 44 Cb 0.00 -1.79 0.02 0.00 -0.91 0.00 0.00 33.84 31.17 1ibl n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ibl n ALA 45 N -3.44 0.00 0.24 3.52 0.00 0.42 -0.03 120.51 121.23 1ibl n ALA 45 Ca 0.01 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1ibl n ALA 45 Cb 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ibl n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibl n ALA 46 N -3.87 0.00 0.10 0.00 0.00 0.17 0.17 120.51 117.07 1ibl n ALA 46 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.50 1ibl n ALA 46 Cb 0.12 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.60 1ibl n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ibl n LEU 47 N -2.03 1.69 -0.32 0.00 4.77 0.96 -3.23 117.00 118.85 1ibl n LEU 47 Ca 0.00 -1.33 0.20 0.00 -0.03 0.00 0.00 56.01 54.85 1ibl n LEU 47 Cb 0.80 -0.03 0.40 0.00 -2.33 0.00 0.00 43.42 42.26 1ibl n LEU 47 CO 0.00 0.39 0.98 -0.08 -1.33 0.00 0.00 177.39 177.35 1ibl h GLU 48 N 0.83 0.14 -0.64 3.23 4.57 0.15 0.10 114.58 122.97 1ibl h GLU 48 Ca 0.00 -0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.30 1ibl h GLU 48 Cb 0.32 -0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 28.77 1ibl h GLU 48 CO 0.00 0.10 0.04 -1.00 -1.18 0.00 0.00 179.01 176.97 1ibl h PRO 49 N 0.15 0.15 0.38 0.92 0.13 -1.85 0.59 132.00 132.46 1ibl h PRO 49 Ca 0.67 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.78 1ibl h PRO 49 Cb 1.51 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.59 1ibl h PRO 49 CO -0.73 0.10 -0.43 -0.07 -0.23 0.00 0.00 178.00 176.64 1ibl h LEU 50 N 0.16 -1.21 -1.18 1.56 3.38 -1.11 0.39 115.31 117.29 1ibl h LEU 50 Ca 0.34 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1ibl h LEU 50 Cb 0.55 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1ibl h LEU 50 CO -0.51 -0.55 0.14 0.54 0.09 0.00 0.00 178.44 178.15 1ibl n ARG 51 N -5.03 0.12 0.14 1.13 1.74 -0.67 0.15 116.66 114.25 1ibl n ARG 51 Ca -0.10 0.61 0.13 0.00 -0.77 0.00 0.00 57.85 57.72 1ibl n ARG 51 Cb 0.39 -2.03 0.30 0.00 -1.02 0.00 0.00 32.46 30.09 1ibl n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ibl h ALA 52 N 1.61 0.95 0.00 7.54 0.00 0.45 -3.33 119.26 126.49 1ibl h ALA 52 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1ibl h ALA 52 Cb 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.81 1ibl h ALA 52 CO 0.00 0.00 -0.86 1.33 0.00 0.00 0.00 179.25 179.72 1ibl n VAL 53 N -2.54 0.51 -2.53 0.00 0.24 0.12 -4.94 118.33 109.20 1ibl n VAL 53 Ca 0.05 -1.41 -0.20 0.00 -2.04 0.00 0.00 64.34 60.73 1ibl n VAL 53 Cb 0.47 0.67 -0.00 0.00 -1.47 0.00 0.00 33.84 33.51 1ibl n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1ibl n ASP 54 N 0.07 -5.67 -2.04 -1.34 8.00 -0.85 -4.97 116.55 109.75 1ibl n ASP 54 Ca 0.08 -0.04 -0.00 0.00 0.71 0.00 0.00 54.79 55.54 1ibl n ASP 54 Cb 1.00 -4.70 0.00 0.00 -0.02 0.00 0.00 41.12 37.41 1ibl n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ibl n ALA 55 N -2.33 -0.01 0.00 2.24 0.00 0.41 -4.30 120.51 116.52 1ibl n ALA 55 Ca -0.21 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1ibl n ALA 55 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1ibl n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ibl n LEU 56 N 0.00 0.00 -1.71 0.00 0.00 -1.26 -4.48 117.00 109.55 1ibl n LEU 56 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.88 1ibl n LEU 56 Cb 0.01 0.00 0.06 0.00 0.00 0.00 0.00 43.42 43.49 1ibl n LEU 56 CO 0.01 0.00 1.03 0.61 0.00 0.00 0.00 177.39 179.04 1ibl n GLY 57 N 0.00 3.56 0.00 -3.96 0.00 -1.26 -3.07 105.19 100.47 1ibl n GLY 57 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1ibl n GLY 57 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ibl n ARG 58 N 0.12 0.00 -4.55 1.61 0.00 -1.26 -5.08 116.66 107.50 1ibl n ARG 58 Ca 0.27 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.85 1ibl n ARG 58 Cb 0.79 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 33.16 1ibl n ARG 58 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1ibl s PHE 59 N 0.00 1.80 0.08 -0.14 0.40 -1.17 -3.89 117.98 115.06 1ibl s PHE 59 Ca 0.00 -1.24 -0.26 0.00 -0.60 0.00 0.00 56.93 54.84 1ibl s PHE 59 Cb 0.00 -1.22 0.07 0.00 0.51 0.00 0.00 43.02 42.37 1ibl s PHE 59 CO 0.00 -0.22 0.62 0.34 0.70 0.00 0.00 175.22 176.66 1ibl s ASP 60 N -3.65 -0.59 -0.14 1.36 -1.08 0.46 -2.70 116.67 110.33 1ibl s ASP 60 Ca 0.21 0.25 -0.11 0.00 -0.52 0.00 0.00 52.55 52.38 1ibl s ASP 60 Cb 0.02 0.57 0.04 0.00 -1.46 0.00 0.00 42.92 42.10 1ibl s ASP 60 CO 0.13 -0.84 0.36 0.00 0.52 0.00 0.00 175.17 175.34 1ibl s ALA 61 N -2.83 -0.89 -0.31 3.66 0.00 -1.20 0.13 121.76 120.32 1ibl s ALA 61 Ca -0.03 1.15 -0.09 0.00 0.00 0.00 0.00 51.96 52.99 1ibl s ALA 61 Cb -0.01 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 1ibl s ALA 61 CO -0.05 -0.20 0.15 -0.47 0.00 0.00 0.00 175.76 175.19 1ibl s TYR 62 N 0.67 3.18 0.11 0.00 5.04 -0.11 -2.00 117.35 124.23 1ibl s TYR 62 Ca -0.04 -0.58 0.08 0.00 -2.44 0.00 0.00 57.07 54.09 1ibl s TYR 62 Cb -0.05 -2.35 -0.04 0.00 0.35 0.00 0.00 41.96 39.87 1ibl s TYR 62 CO -0.04 -0.46 -0.15 0.42 -1.34 0.00 0.00 175.55 173.98 1ibl s ILE 63 N 1.61 3.04 -0.04 3.14 1.01 0.17 -2.18 121.20 127.94 1ibl s ILE 63 Ca 0.05 -1.39 0.03 0.00 0.00 0.00 0.00 60.65 59.33 1ibl s ILE 63 Cb -0.17 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 39.91 1ibl s ILE 63 CO 0.06 0.12 -0.11 -0.89 0.00 0.00 0.00 174.94 174.12 1ibl s THR 64 N -1.15 0.97 -0.03 2.92 2.01 -0.60 -0.44 115.64 119.31 1ibl s THR 64 Ca 0.19 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.77 1ibl s THR 64 Cb -0.11 -0.87 0.02 0.00 0.01 0.00 0.00 72.50 71.55 1ibl s THR 64 CO 0.11 0.30 -0.03 0.54 -0.69 0.00 0.00 174.62 174.85 1ibl s VAL 65 N 0.40 0.39 -0.02 3.82 0.11 -1.26 0.29 120.40 124.13 1ibl s VAL 65 Ca -0.08 -0.08 -0.02 0.00 -2.93 0.00 0.00 61.98 58.88 1ibl s VAL 65 Cb -0.12 -0.42 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 1ibl s VAL 65 CO 0.02 0.17 0.05 -0.60 -3.33 0.00 0.00 175.10 171.41 1ibl s ARG 66 N 0.70 0.05 0.00 1.54 3.52 -0.53 -4.96 118.95 119.26 1ibl s ARG 66 Ca -0.08 0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.61 1ibl s ARG 66 Cb -0.11 -0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.26 1ibl s ARG 66 CO -0.00 -0.03 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 1ibl n GLY 67 N 3.24 -2.74 0.00 8.12 0.00 -1.26 -1.85 105.19 110.71 1ibl n GLY 67 Ca -0.15 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1ibl n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibl n GLY 68 N -0.37 0.76 3.19 -0.02 0.00 -1.09 -4.00 105.19 103.65 1ibl n GLY 68 Ca 0.00 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 1ibl n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ibl s GLY 69 N 0.00 -0.09 0.35 -0.02 0.00 -1.26 -5.04 107.32 101.26 1ibl s GLY 69 Ca 0.00 0.20 0.17 0.00 0.00 0.00 0.00 44.72 45.09 1ibl s GLY 69 CO 0.00 0.02 1.60 0.50 0.00 0.00 0.00 173.10 175.22 1ibl h LYS 70 N 4.11 0.07 -0.08 2.90 1.57 -1.98 0.78 116.57 123.94 1ibl h LYS 70 Ca -0.30 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 1ibl h LYS 70 Cb 1.18 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 1ibl h LYS 70 CO 0.40 0.05 0.01 1.03 -0.57 0.00 0.00 179.45 180.36 1ibl h SER 71 N 0.08 0.14 -0.53 0.86 0.87 -1.99 0.76 113.55 113.74 1ibl h SER 71 Ca 0.79 -0.29 -0.02 0.00 -1.23 0.00 0.00 61.79 61.04 1ibl h SER 71 Cb 1.97 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.87 1ibl h SER 71 CO -0.75 0.39 0.25 1.23 -0.53 0.00 0.00 176.83 177.42 1ibl h GLY 72 N -0.12 0.81 0.32 5.77 0.00 -1.35 -2.40 103.07 106.11 1ibl h GLY 72 Ca 0.02 -0.41 0.07 0.00 0.00 0.00 0.00 47.33 47.02 1ibl h GLY 72 CO 0.00 0.39 -0.09 1.46 0.00 0.00 0.00 176.54 178.30 1ibl h GLN 73 N 0.70 -0.00 -1.13 4.80 4.20 -0.76 0.33 115.11 123.25 1ibl h GLN 73 Ca 0.18 0.00 0.34 0.00 0.06 0.00 0.00 58.65 59.23 1ibl h GLN 73 Cb 0.12 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.78 1ibl h GLN 73 CO -0.02 -0.00 0.71 0.82 -0.67 0.00 0.00 178.83 179.66 1ibl h ILE 74 N -0.00 0.33 0.01 2.54 2.04 -0.33 -0.59 117.51 121.50 1ibl h ILE 74 Ca 0.16 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 1ibl h ILE 74 Cb 0.25 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1ibl h ILE 74 CO -0.35 0.05 -0.01 0.44 0.00 0.00 0.00 178.15 178.29 1ibl h ASP 75 N 0.27 -0.01 0.07 1.72 3.32 -0.21 -2.54 116.42 119.03 1ibl h ASP 75 Ca 0.71 -0.66 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1ibl h ASP 75 Cb 1.92 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.42 1ibl h ASP 75 CO -0.42 0.66 -0.52 0.00 -1.72 0.00 0.00 179.24 177.24 1ibl h ALA 76 N 0.26 -0.95 -0.77 3.45 0.00 -0.00 -1.07 119.26 120.18 1ibl h ALA 76 Ca -0.00 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1ibl h ALA 76 Cb 0.67 0.91 -0.11 0.00 0.00 0.00 0.00 17.79 19.25 1ibl h ALA 76 CO 0.00 -1.11 -0.52 0.82 0.00 0.00 0.00 179.25 178.44 1ibl h ILE 77 N -0.71 0.02 -1.20 0.00 2.04 -1.39 1.26 117.51 117.53 1ibl h ILE 77 Ca 0.01 0.00 0.45 0.00 1.00 0.00 0.00 64.86 66.31 1ibl h ILE 77 Cb 0.74 0.02 -0.16 0.00 -0.74 0.00 0.00 36.82 36.68 1ibl h ILE 77 CO -0.32 0.00 0.72 0.50 0.00 0.00 0.00 178.15 179.05 1ibl h LYS 78 N -0.14 0.01 0.19 2.37 3.64 -0.78 -0.99 116.57 120.87 1ibl h LYS 78 Ca 0.17 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1ibl h LYS 78 Cb 0.51 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1ibl h LYS 78 CO -0.81 0.00 -0.09 1.25 -2.27 0.00 0.00 179.45 177.53 1ibl h LEU 79 N 0.01 -0.22 -0.81 5.20 6.46 0.25 -2.75 115.31 123.45 1ibl h LEU 79 Ca 0.87 0.01 0.11 0.00 -0.12 0.00 0.00 57.88 58.75 1ibl h LEU 79 Cb 2.55 0.06 -0.13 0.00 -0.73 0.00 0.00 40.66 42.41 1ibl h LEU 79 CO -0.61 -0.03 -0.45 1.23 -0.62 0.00 0.00 178.44 177.96 1ibl h GLY 80 N -0.53 -0.34 0.29 3.75 0.00 -0.57 1.44 103.07 107.11 1ibl h GLY 80 Ca -0.03 0.59 0.25 0.00 0.00 0.00 0.00 47.33 48.14 1ibl h GLY 80 CO 0.04 -0.13 0.61 -2.22 0.00 0.00 0.00 176.54 174.84 1ibl h ILE 81 N -0.10 0.58 0.13 2.60 2.04 -1.34 2.09 117.51 123.50 1ibl h ILE 81 Ca 0.24 -0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.91 1ibl h ILE 81 Cb 0.54 0.56 0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1ibl h ILE 81 CO -0.84 0.00 -0.83 0.00 0.00 0.00 0.00 178.15 176.48 1ibl h ALA 82 N 1.57 -0.05 0.78 1.87 0.00 0.19 -2.16 119.26 121.46 1ibl h ALA 82 Ca 0.41 -0.73 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1ibl h ALA 82 Cb 1.62 0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.56 1ibl h ALA 82 CO -0.01 0.40 -0.38 0.00 0.00 0.00 0.00 179.25 179.27 1ibl h ARG 83 N -0.42 -1.01 -0.96 0.00 3.08 0.36 -2.87 114.38 112.56 1ibl h ARG 83 Ca -0.15 0.07 0.15 0.00 0.07 0.00 0.00 59.98 60.12 1ibl h ARG 83 Cb 1.60 0.23 -0.08 0.00 0.08 0.00 0.00 29.97 31.80 1ibl h ARG 83 CO 0.13 -0.67 0.60 0.00 -1.07 0.00 0.00 179.97 178.96 1ibl h ALA 84 N -1.25 1.73 0.00 0.04 0.00 0.31 0.72 119.26 120.81 1ibl h ALA 84 Ca -0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ibl h ALA 84 Cb 0.81 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ibl h ALA 84 CO 0.18 -0.01 0.28 1.25 0.00 0.00 0.00 179.25 180.94 1ibl h LEU 85 N 0.78 0.00 0.00 0.00 5.85 -1.16 1.56 115.31 122.33 1ibl h LEU 85 Ca 0.50 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 59.13 1ibl h LEU 85 Cb 0.73 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1ibl h LEU 85 CO -0.26 0.00 -1.26 0.52 -0.34 0.00 0.00 178.44 177.10 1ibl n VAL 86 N -2.77 0.90 -0.26 1.05 0.31 0.25 -3.58 118.33 114.23 1ibl n VAL 86 Ca -0.02 -0.62 -0.01 0.00 -0.01 0.00 0.00 64.34 63.68 1ibl n VAL 86 Cb 0.32 -0.53 0.11 0.00 -0.91 0.00 0.00 33.84 32.83 1ibl n VAL 86 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1ibl h GLN 87 N 0.00 0.79 0.00 5.55 1.08 0.25 -1.82 115.11 120.96 1ibl h GLN 87 Ca -0.09 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1ibl h GLN 87 Cb 1.31 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 1ibl h GLN 87 CO 0.02 0.53 0.00 0.98 -0.95 0.00 0.00 178.83 179.41 1ibl n TYR 88 N -4.70 0.00 -2.68 2.96 9.36 -0.98 -4.58 117.16 116.54 1ibl n TYR 88 Ca 0.10 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.89 1ibl n TYR 88 Cb 0.16 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.83 1ibl n TYR 88 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1ibl s ASN 89 N -1.74 6.26 0.00 2.98 2.47 -1.24 -4.85 114.94 118.82 1ibl s ASN 89 Ca 0.00 -0.44 0.05 0.00 0.42 0.00 0.00 52.86 52.89 1ibl s ASN 89 Cb 0.00 -2.50 0.22 0.00 -1.45 0.00 0.00 41.25 37.52 1ibl s ASN 89 CO 0.00 -1.55 1.16 -0.81 -3.72 0.00 0.00 177.10 172.18 1ibl n PRO 90 N 8.42 0.00 -0.04 0.43 -0.04 -0.69 -1.09 135.00 142.00 1ibl n PRO 90 Ca 0.02 0.41 0.03 0.00 -0.04 0.00 0.00 63.50 63.92 1ibl n PRO 90 Cb 0.48 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.55 1ibl n PRO 90 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ibl n ASP 91 N -1.50 0.44 0.05 3.54 9.92 -1.26 -3.32 116.55 124.43 1ibl n ASP 91 Ca 0.01 -1.92 -0.11 0.00 -0.53 0.00 0.00 54.79 52.24 1ibl n ASP 91 Cb 0.06 -0.05 0.01 0.00 -0.64 0.00 0.00 41.12 40.50 1ibl n ASP 91 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1ibl h TYR 92 N 0.50 0.58 -0.61 1.24 0.99 -1.44 -3.22 116.97 115.00 1ibl h TYR 92 Ca 0.00 -0.27 0.07 0.00 2.00 0.00 0.00 58.73 60.53 1ibl h TYR 92 Cb 0.11 -0.08 -0.10 0.00 1.00 0.00 0.00 36.73 37.66 1ibl h TYR 92 CO 0.05 1.04 -0.56 0.00 -0.00 0.00 0.00 178.16 178.70 1ibl h ARG 93 N 0.28 -0.25 0.00 4.88 3.08 -1.80 0.49 114.38 121.06 1ibl h ARG 93 Ca -0.04 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1ibl h ARG 93 Cb 1.37 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.48 1ibl h ARG 93 CO 0.13 -0.17 0.00 0.00 -1.07 0.00 0.00 179.97 178.87 1ibl n ALA 94 N -3.14 0.00 -0.11 0.04 0.00 -1.22 0.17 120.51 116.25 1ibl n ALA 94 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ibl n ALA 94 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1ibl n ALA 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ibl n LYS 95 N -3.21 2.60 -0.06 0.00 4.76 -0.67 -4.61 118.16 116.96 1ibl n LYS 95 Ca 0.00 -0.17 -0.19 0.00 -2.87 0.00 0.00 58.31 55.08 1ibl n LYS 95 Cb 0.00 -0.60 -0.13 0.00 -1.84 0.00 0.00 35.03 32.47 1ibl n LYS 95 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1ibl h LEU 96 N 0.00 0.11 -0.68 -0.35 5.85 0.67 -3.37 115.31 117.53 1ibl h LEU 96 Ca 0.00 -0.75 0.13 0.00 0.84 0.00 0.00 57.88 58.10 1ibl h LEU 96 Cb 0.06 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 40.95 1ibl h LEU 96 CO 0.00 1.38 0.19 0.50 -0.34 0.00 0.00 178.44 180.17 1ibl h LYS 97 N -0.81 0.30 -1.01 1.25 3.64 0.16 -1.95 116.57 118.16 1ibl h LYS 97 Ca -0.23 -0.02 0.29 0.00 -1.27 0.00 0.00 60.65 59.42 1ibl h LYS 97 Cb 1.34 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 1ibl h LYS 97 CO -0.07 0.20 0.83 -1.35 -2.27 0.00 0.00 179.45 176.79 1ibl h PRO 98 N 0.31 0.00 -0.22 1.90 0.11 -1.72 2.16 132.00 134.53 1ibl h PRO 98 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1ibl h PRO 98 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1ibl h PRO 98 CO -0.44 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.63 1ibl n LEU 99 N -3.91 1.51 -0.40 2.35 7.99 -0.73 -4.89 117.00 118.92 1ibl n LEU 99 Ca 0.22 -0.70 -0.05 0.00 -0.01 0.00 0.00 56.01 55.47 1ibl n LEU 99 Cb 1.17 -0.15 -0.02 0.00 -0.11 0.00 0.00 43.42 44.31 1ibl n LEU 99 CO 0.35 0.35 -0.04 0.61 -1.51 0.00 0.00 177.39 177.14 1ibl n GLY 100 N 1.03 0.45 0.22 -0.72 0.00 0.73 -4.73 105.19 102.16 1ibl n GLY 100 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.24 1ibl n GLY 100 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ibl h PHE 101 N 0.00 0.00 0.00 1.61 0.05 -1.71 0.43 116.94 117.33 1ibl h PHE 101 Ca -0.10 0.00 -0.23 0.00 3.82 0.00 0.00 57.97 61.46 1ibl h PHE 101 Cb 0.93 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 38.84 1ibl h PHE 101 CO 0.53 0.00 -1.33 -0.07 -0.18 0.00 0.00 178.31 177.26 1ibl h LEU 102 N 0.00 0.00 -9.75 1.54 3.38 -1.84 -3.42 115.31 105.22 1ibl h LEU 102 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1ibl h LEU 102 Cb 0.65 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.47 1ibl h LEU 102 CO 0.00 0.89 0.81 -0.89 0.09 0.00 0.00 178.44 179.34 1ibl s THR 103 N -2.72 2.47 -0.94 0.22 2.01 0.15 -4.96 115.64 111.88 1ibl s THR 103 Ca -0.02 0.39 -0.15 0.00 0.31 0.00 0.00 61.69 62.22 1ibl s THR 103 Cb 0.09 -3.25 0.19 0.00 0.01 0.00 0.00 72.50 69.54 1ibl s THR 103 CO 0.81 0.06 1.01 -0.60 -0.69 0.00 0.00 174.62 175.21 1ibl s ARG 104 N -0.26 3.72 -0.43 4.92 3.00 -1.26 -4.98 118.95 123.66 1ibl s ARG 104 Ca 0.62 -2.30 -0.26 0.00 -1.00 0.00 0.00 55.73 52.79 1ibl s ARG 104 Cb -0.44 -4.69 -0.13 0.00 0.00 0.00 0.00 34.95 29.69 1ibl s ARG 104 CO 0.43 -1.51 1.50 -3.47 0.00 0.00 0.00 175.30 172.26 1ibl n ASP 105 N 4.95 0.39 0.01 -2.12 -0.08 -1.26 -4.77 116.55 113.67 1ibl n ASP 105 Ca 0.21 0.33 0.13 0.00 -1.51 0.00 0.00 54.79 53.95 1ibl n ASP 105 Cb 0.46 -0.59 0.44 0.00 2.34 0.00 0.00 41.12 43.78 1ibl n ASP 105 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ibl n ALA 106 N 5.50 2.81 -1.65 -1.67 0.00 -1.26 -4.33 120.51 119.90 1ibl n ALA 106 Ca 0.38 -0.20 -0.48 0.00 0.00 0.00 0.00 53.44 53.14 1ibl n ALA 106 Cb -0.01 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.07 1ibl n ALA 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ibl n ARG 107 N -1.60 1.87 -3.77 0.00 1.74 -1.26 -4.96 116.66 108.68 1ibl n ARG 107 Ca 0.06 0.68 -0.11 0.00 -0.77 0.00 0.00 57.85 57.71 1ibl n ARG 107 Cb 0.35 -2.42 -0.07 0.00 -1.02 0.00 0.00 32.46 29.30 1ibl n ARG 107 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ibl s VAL 108 N 1.24 0.10 -0.13 1.55 1.01 -1.26 -4.40 120.40 118.51 1ibl s VAL 108 Ca 0.82 -0.80 -0.39 0.00 0.00 0.00 0.00 61.98 61.61 1ibl s VAL 108 Cb -0.76 -1.04 -0.16 0.00 0.00 0.00 0.00 36.38 34.42 1ibl s VAL 108 CO 0.42 -0.44 1.55 0.52 0.00 0.00 0.00 175.10 177.16 1ibl n VAL 109 N 0.38 0.16 -2.52 2.92 0.31 -1.26 -4.90 118.33 113.41 1ibl n VAL 109 Ca -0.18 -0.03 -0.40 0.00 -0.01 0.00 0.00 64.34 63.72 1ibl n VAL 109 Cb 0.60 -0.99 -0.04 0.00 -0.91 0.00 0.00 33.84 32.49 1ibl n VAL 109 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1ibl s GLU 110 N 2.18 4.66 0.62 5.55 2.12 -1.26 -4.99 118.70 127.58 1ibl s GLU 110 Ca 0.93 1.74 -0.17 0.00 0.36 0.00 0.00 54.97 57.83 1ibl s GLU 110 Cb -1.05 -3.22 -0.07 0.00 0.26 0.00 0.00 34.13 30.05 1ibl s GLU 110 CO 0.58 0.23 0.55 -2.13 -0.54 0.00 0.00 175.26 173.95 1ibl n ARG 111 N 1.49 0.47 -3.09 4.30 0.00 -1.26 -4.91 116.66 113.66 1ibl n ARG 111 Ca -0.00 0.19 -0.43 0.00 -0.00 0.00 0.00 57.85 57.61 1ibl n ARG 111 Cb 0.45 -1.77 -0.07 0.00 0.00 0.00 0.00 32.46 31.08 1ibl n ARG 111 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1ibl s LYS 112 N -2.34 3.32 0.42 -0.14 2.36 -1.26 -4.41 119.74 117.69 1ibl s LYS 112 Ca 0.68 -0.30 -0.14 0.00 -2.55 0.00 0.00 55.97 53.66 1ibl s LYS 112 Cb -0.41 -3.94 -0.08 0.00 -1.05 0.00 0.00 37.83 32.35 1ibl s LYS 112 CO 0.55 -1.01 0.83 0.15 1.55 0.00 0.00 175.35 177.42 1ibl s LYS 113 N 2.88 3.89 0.47 4.03 3.01 -1.26 -4.80 119.74 127.97 1ibl s LYS 113 Ca 0.24 0.67 -0.16 0.00 -1.01 0.00 0.00 55.97 55.71 1ibl s LYS 113 Cb -0.14 -2.32 -0.08 0.00 -1.01 0.00 0.00 37.83 34.28 1ibl s LYS 113 CO 0.19 -0.06 0.93 1.52 0.51 0.00 0.00 175.35 178.45 1ibl s TYR 114 N -2.35 3.43 -0.35 3.18 -0.85 -1.26 -3.39 117.35 115.76 1ibl s TYR 114 Ca 0.54 1.41 0.00 0.00 -0.52 0.00 0.00 57.07 58.51 1ibl s TYR 114 Cb -0.10 -2.74 0.00 0.00 0.38 0.00 0.00 41.96 39.50 1ibl s TYR 114 CO 0.27 -0.26 0.00 0.41 -1.52 0.00 0.00 175.55 174.45 1ibl n GLY 115 N -1.32 0.61 2.83 5.49 0.00 -1.26 -4.96 105.19 106.57 1ibl n GLY 115 Ca 0.06 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 1ibl n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibl s LYS 116 N -1.56 0.38 0.00 1.61 1.02 -1.22 -4.47 119.74 115.50 1ibl s LYS 116 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 55.97 55.93 1ibl s LYS 116 Cb 0.00 -0.50 0.00 0.00 -0.52 0.00 0.00 37.83 36.81 1ibl s LYS 116 CO 0.00 -1.04 0.00 0.72 -0.92 0.00 0.00 175.35 174.11 1ibl n HIS 117 N 5.28 0.00 -2.96 3.18 8.25 -0.77 -1.79 115.22 126.40 1ibl n HIS 117 Ca -0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1ibl n HIS 117 Cb 0.48 -0.48 0.02 0.00 1.12 0.00 0.00 29.99 31.13 1ibl n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ibl n LYS 118 N -3.13 0.96 0.00 -0.41 5.02 -1.02 -4.98 118.16 114.60 1ibl n LYS 118 Ca 0.00 -2.63 0.00 0.00 -2.02 0.00 0.00 58.31 53.66 1ibl n LYS 118 Cb 0.00 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1ibl n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ibl n ALA 119 N 0.51 0.00 -0.09 7.82 0.00 -0.74 -3.47 120.51 124.54 1ibl n ALA 119 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.44 1ibl n ALA 119 Cb 0.66 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.04 1ibl n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ibl n ARG 120 N 0.00 0.52 -1.39 0.00 1.74 -1.26 -4.36 116.66 111.91 1ibl n ARG 120 Ca 0.00 0.51 -0.58 0.00 -0.77 0.00 0.00 57.85 57.01 1ibl n ARG 120 Cb 0.00 -1.69 -0.10 0.00 -1.02 0.00 0.00 32.46 29.65 1ibl n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1ibl n ARG 121 N -4.48 0.39 -3.74 5.56 0.00 -1.23 -4.87 116.66 108.29 1ibl n ARG 121 Ca -0.24 0.11 -0.37 0.00 -0.00 0.00 0.00 57.85 57.35 1ibl n ARG 121 Cb 0.54 -1.81 -0.06 0.00 0.00 0.00 0.00 32.46 31.13 1ibl n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ibl s ALA 122 N 5.88 3.82 0.54 5.13 0.00 -1.26 -1.85 121.76 134.01 1ibl s ALA 122 Ca 1.14 -0.50 -0.19 0.00 0.00 0.00 0.00 51.96 52.41 1ibl s ALA 122 Cb -1.29 -2.11 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 1ibl s ALA 122 CO 0.63 0.58 0.47 -0.35 0.00 0.00 0.00 175.76 177.09 1ibl n PRO 123 N 1.77 0.48 -3.06 0.00 -0.04 -1.26 -4.87 135.00 128.01 1ibl n PRO 123 Ca -0.17 0.18 -0.36 0.00 -0.04 0.00 0.00 63.50 63.12 1ibl n PRO 123 Cb 0.54 -1.61 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 1ibl n PRO 123 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1ibl s GLN 124 N -1.90 4.25 0.31 0.54 0.74 -1.26 -5.08 119.66 117.27 1ibl s GLN 124 Ca 0.67 0.90 0.07 0.00 0.05 0.00 0.00 55.36 57.04 1ibl s GLN 124 Cb -0.47 -2.79 -0.06 0.00 1.10 0.00 0.00 33.01 30.79 1ibl s GLN 124 CO 0.56 0.34 -0.04 1.52 -0.55 0.00 0.00 175.29 177.12 1ibl s TYR 125 N -1.61 2.09 0.32 1.67 -0.85 -1.26 -5.16 117.35 112.54 1ibl s TYR 125 Ca 0.46 -0.71 0.04 0.00 -0.52 0.00 0.00 57.07 56.34 1ibl s TYR 125 Cb -0.16 -1.27 -0.03 0.00 0.38 0.00 0.00 41.96 40.88 1ibl s TYR 125 CO 0.21 0.30 0.18 -1.54 -1.52 0.00 0.00 175.55 173.18 1ibl s SER 126 N -3.51 1.63 -0.74 -0.18 1.04 -1.26 -4.89 113.70 105.79 1ibl s SER 126 Ca 0.32 -1.61 -0.07 0.00 0.48 0.00 0.00 55.95 55.07 1ibl s SER 126 Cb 0.05 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.68 1ibl s SER 126 CO 0.14 -0.93 0.17 0.29 0.98 0.00 0.00 173.24 173.89 1ibl n LYS 127 N -0.61 -0.91 0.00 4.02 4.76 -1.26 -5.36 118.16 118.80 1ibl n LYS 127 Ca 0.02 0.05 0.06 0.00 -2.87 0.00 0.00 58.31 55.57 1ibl n LYS 127 Cb 0.64 -1.82 0.05 0.00 -1.84 0.00 0.00 35.03 32.07 1ibl n LYS 127 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90