#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibl s ARG 3 N 0.00 3.09 0.05 0.54 0.52 -1.26 -5.13 118.95 116.76 1ibl s ARG 3 Ca 0.00 -0.72 -0.11 0.00 -0.52 0.00 0.00 55.73 54.38 1ibl s ARG 3 Cb 0.00 -2.68 0.01 0.00 0.52 0.00 0.00 34.95 32.80 1ibl s ARG 3 CO 0.00 -0.12 0.23 0.45 0.02 0.00 0.00 175.30 175.88 1ibl s SER 4 N -4.20 -0.01 0.00 0.23 0.15 -1.26 -5.04 113.70 103.57 1ibl s SER 4 Ca 0.47 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1ibl s SER 4 Cb -0.10 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1ibl s SER 4 CO 0.35 -0.60 0.00 0.18 1.20 0.00 0.00 173.24 174.37 1ibl n LEU 5 N 0.55 0.00 0.00 3.45 4.77 -1.26 -5.16 117.00 119.35 1ibl n LEU 5 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1ibl n LEU 5 Cb 0.60 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1ibl n LEU 5 CO 0.22 -0.49 0.00 0.29 -1.33 0.00 0.00 177.39 176.08 1ibl n LYS 6 N -2.46 0.00 -3.21 3.23 5.02 -1.26 -4.96 118.16 114.51 1ibl n LYS 6 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 1ibl n LYS 6 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 1ibl n LYS 6 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1ibl s LYS 7 N 0.00 0.91 0.00 1.97 -2.85 -1.26 -4.97 119.74 113.55 1ibl s LYS 7 Ca 0.00 -1.65 0.00 0.00 -1.00 0.00 0.00 55.97 53.32 1ibl s LYS 7 Cb 0.00 -0.95 0.00 0.00 -2.06 0.00 0.00 37.83 34.82 1ibl s LYS 7 CO 0.00 -1.35 0.00 0.41 0.10 0.00 0.00 175.35 174.51 1ibl n GLY 8 N 3.06 -0.62 2.93 0.59 0.00 -1.26 -5.14 105.19 104.76 1ibl n GLY 8 Ca 0.24 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 1ibl n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ibl n VAL 9 N 0.00 0.00 -4.90 1.61 0.31 -1.26 -4.95 118.33 109.14 1ibl n VAL 9 Ca 0.00 -0.46 -0.33 0.00 -0.01 0.00 0.00 64.34 63.54 1ibl n VAL 9 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 1ibl n VAL 9 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1ibl s PHE 10 N -1.84 2.71 -0.21 3.52 5.36 -1.26 -5.09 117.98 121.17 1ibl s PHE 10 Ca 0.49 -0.44 -0.07 0.00 -0.96 0.00 0.00 56.93 55.94 1ibl s PHE 10 Cb -0.39 -1.71 0.10 0.00 -0.34 0.00 0.00 43.02 40.68 1ibl s PHE 10 CO 0.65 -0.04 0.43 0.08 -1.46 0.00 0.00 175.22 174.88 1ibl s VAL 11 N -0.20 -0.67 0.25 3.12 1.01 -1.26 -1.38 120.40 121.27 1ibl s VAL 11 Ca -0.00 0.15 -0.31 0.00 0.00 0.00 0.00 61.98 61.81 1ibl s VAL 11 Cb -0.13 -0.69 -0.12 0.00 0.00 0.00 0.00 36.38 35.44 1ibl s VAL 11 CO 0.03 0.06 1.67 0.47 0.00 0.00 0.00 175.10 177.33 1ibl n ASP 12 N 5.39 3.96 -0.16 3.32 9.92 -1.26 -4.92 116.55 132.80 1ibl n ASP 12 Ca -0.08 1.10 -0.07 0.00 -0.53 0.00 0.00 54.79 55.21 1ibl n ASP 12 Cb 0.49 -1.59 -0.05 0.00 -0.64 0.00 0.00 41.12 39.33 1ibl n ASP 12 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1ibl h ASP 13 N 5.89 -1.09 0.00 -2.24 3.45 -2.00 -3.16 116.42 117.28 1ibl h ASP 13 Ca -0.45 0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.17 1ibl h ASP 13 Cb 1.21 0.47 0.00 0.00 -0.56 0.00 0.00 39.33 40.45 1ibl h ASP 13 CO 0.88 -0.16 0.00 1.41 -1.57 0.00 0.00 179.24 179.80 1ibl n HIS 14 N -4.17 0.00 -0.33 4.55 -0.00 -1.26 0.47 115.22 114.48 1ibl n HIS 14 Ca -0.00 0.00 0.28 0.00 -0.00 0.00 0.00 57.72 57.99 1ibl n HIS 14 Cb 0.16 0.00 0.59 0.00 -0.00 0.00 0.00 29.99 30.74 1ibl n HIS 14 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.34 177.71 1ibl h LEU 15 N 0.00 0.29 0.00 2.41 8.10 -1.95 0.15 115.31 124.31 1ibl h LEU 15 Ca 0.00 0.06 0.00 0.00 0.11 0.00 0.00 57.88 58.05 1ibl h LEU 15 Cb 0.00 0.02 0.00 0.00 -0.44 0.00 0.00 40.66 40.24 1ibl h LEU 15 CO 0.00 0.04 0.00 -0.11 -4.11 0.00 0.00 178.44 174.26 1ibl n LEU 16 N -4.49 0.00 0.00 0.17 7.94 0.18 0.39 117.00 121.18 1ibl n LEU 16 Ca 0.26 0.65 0.01 0.00 -1.11 0.00 0.00 56.01 55.83 1ibl n LEU 16 Cb 1.03 -0.15 0.08 0.00 0.53 0.00 0.00 43.42 44.91 1ibl n LEU 16 CO 0.30 -0.15 0.29 -1.84 -1.11 0.00 0.00 177.39 174.88 1ibl n GLU 17 N -1.04 0.10 -0.04 1.96 0.28 -0.36 -0.15 120.64 121.39 1ibl n GLU 17 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1ibl n GLU 17 Cb 0.00 -1.42 -0.10 0.00 1.43 0.00 0.00 31.44 31.35 1ibl n GLU 17 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1ibl n LYS 18 N -0.92 1.35 -0.07 3.44 4.81 0.02 -4.19 118.16 122.59 1ibl n LYS 18 Ca 0.02 -0.05 -0.11 0.00 -0.87 0.00 0.00 58.31 57.30 1ibl n LYS 18 Cb 0.01 -1.33 -0.08 0.00 0.02 0.00 0.00 35.03 33.65 1ibl n LYS 18 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 1ibl h VAL 19 N 0.00 0.92 -1.12 3.15 3.04 1.08 -3.24 116.25 120.08 1ibl h VAL 19 Ca -0.22 -1.81 0.32 0.00 -1.01 0.00 0.00 66.70 63.98 1ibl h VAL 19 Cb 1.37 1.86 -0.10 0.00 -2.01 0.00 0.00 31.29 32.40 1ibl h VAL 19 CO 0.01 0.31 0.72 0.17 -1.01 0.00 0.00 177.57 177.77 1ibl h LEU 20 N -1.00 0.38 0.96 3.16 8.10 -1.30 0.25 115.31 125.86 1ibl h LEU 20 Ca -0.09 0.10 -0.05 0.00 0.11 0.00 0.00 57.88 57.96 1ibl h LEU 20 Cb 0.78 0.05 0.01 0.00 -0.44 0.00 0.00 40.66 41.06 1ibl h LEU 20 CO -0.05 -0.00 -0.48 -0.33 -4.11 0.00 0.00 178.44 173.47 1ibl h GLU 21 N 0.29 -1.27 -1.13 0.17 5.08 -1.73 -2.36 114.58 113.64 1ibl h GLU 21 Ca 0.66 0.09 0.40 0.00 -1.00 0.00 0.00 59.36 59.51 1ibl h GLU 21 Cb 1.83 0.29 -0.12 0.00 0.50 0.00 0.00 28.75 31.25 1ibl h GLU 21 CO -0.34 -0.84 0.72 1.28 -1.00 0.00 0.00 179.01 178.82 1ibl n LEU 22 N -5.66 0.19 -0.12 1.33 4.77 0.84 0.26 117.00 118.61 1ibl n LEU 22 Ca -0.16 1.20 -0.11 0.00 -0.03 0.00 0.00 56.01 56.91 1ibl n LEU 22 Cb 0.52 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1ibl n LEU 22 CO 0.40 -1.31 0.75 0.78 -1.33 0.00 0.00 177.39 176.68 1ibl h ASN 23 N 0.00 0.66 -0.66 -1.43 2.35 -1.15 -1.90 115.58 113.45 1ibl h ASN 23 Ca 0.74 -0.33 0.11 0.00 -0.55 0.00 0.00 56.30 56.27 1ibl h ASN 23 Cb 2.35 -0.18 -0.08 0.00 0.05 0.00 0.00 38.32 40.45 1ibl h ASN 23 CO -0.43 0.84 0.23 0.00 -1.65 0.00 0.00 177.43 176.43 1ibl h ALA 24 N 0.85 0.86 -0.08 -0.83 0.00 0.38 1.19 119.26 121.63 1ibl h ALA 24 Ca 0.10 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ibl h ALA 24 Cb 0.52 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ibl h ALA 24 CO 0.03 -0.22 0.00 1.63 0.00 0.00 0.00 179.25 180.69 1ibl n LYS 25 N -5.02 1.43 0.00 0.00 5.02 -1.06 -4.91 118.16 113.61 1ibl n LYS 25 Ca 0.11 -0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 1ibl n LYS 25 Cb 0.33 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1ibl n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ibl n GLY 26 N 0.21 1.59 3.38 0.72 0.00 0.41 -4.87 105.19 106.63 1ibl n GLY 26 Ca 0.03 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 1ibl n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ibl s GLU 27 N 0.00 1.18 0.00 1.61 0.41 -0.74 -3.90 118.70 117.26 1ibl s GLU 27 Ca 0.00 -0.53 0.00 0.00 -0.41 0.00 0.00 54.97 54.03 1ibl s GLU 27 Cb 0.00 0.54 0.00 0.00 -1.78 0.00 0.00 34.13 32.89 1ibl s GLU 27 CO 0.00 -0.49 0.00 1.17 -0.49 0.00 0.00 175.26 175.45 1ibl n LYS 28 N -0.24 3.32 -3.48 1.61 4.81 -1.26 -4.93 118.16 117.98 1ibl n LYS 28 Ca -0.17 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.06 1ibl n LYS 28 Cb 0.64 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.56 1ibl n LYS 28 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1ibl s ARG 29 N 0.15 0.22 0.15 1.64 0.52 -1.26 -4.93 118.95 115.44 1ibl s ARG 29 Ca 0.00 -0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 1ibl s ARG 29 Cb 0.00 -1.09 0.00 0.00 0.52 0.00 0.00 34.95 34.38 1ibl s ARG 29 CO 0.00 -0.85 0.00 -0.11 0.02 0.00 0.00 175.30 174.36 1ibl n LEU 30 N 5.30 -4.24 -3.76 2.53 0.00 -1.24 -5.05 117.00 110.53 1ibl n LEU 30 Ca -0.05 1.72 -0.26 0.00 0.00 0.00 0.00 56.01 57.42 1ibl n LEU 30 Cb 0.47 -1.69 -0.17 0.00 0.00 0.00 0.00 43.42 42.03 1ibl n LEU 30 CO 0.05 -0.65 -0.38 -0.63 0.00 0.00 0.00 177.39 175.78 1ibl s ILE 31 N -0.86 0.56 -0.32 1.96 -1.09 0.14 -4.97 121.20 116.62 1ibl s ILE 31 Ca 0.00 -0.39 -0.13 0.00 -2.23 0.00 0.00 60.65 57.90 1ibl s ILE 31 Cb 0.00 -0.93 -0.02 0.00 -1.58 0.00 0.00 42.46 39.92 1ibl s ILE 31 CO 0.00 -0.04 0.28 -1.59 -1.23 0.00 0.00 174.94 172.36 1ibl s LYS 32 N 1.86 3.67 0.17 2.79 -2.85 -1.26 0.11 119.74 124.23 1ibl s LYS 32 Ca 0.01 -0.43 0.10 0.00 -1.00 0.00 0.00 55.97 54.65 1ibl s LYS 32 Cb -0.16 -3.76 -0.04 0.00 -2.06 0.00 0.00 37.83 31.81 1ibl s LYS 32 CO -0.07 -0.40 -0.22 0.99 0.10 0.00 0.00 175.35 175.75 1ibl s THR 33 N 1.87 2.07 -2.55 3.79 2.01 -0.65 -4.94 115.64 117.24 1ibl s THR 33 Ca 0.09 -1.91 0.21 0.00 0.31 0.00 0.00 61.69 60.39 1ibl s THR 33 Cb -0.17 -1.94 0.14 0.00 0.01 0.00 0.00 72.50 70.54 1ibl s THR 33 CO 0.11 -0.17 1.15 0.79 -0.69 0.00 0.00 174.62 175.81 1ibl n TRP 34 N 0.42 0.00 -3.42 4.92 8.01 -1.26 -2.49 117.44 123.61 1ibl n TRP 34 Ca -0.14 0.00 -0.44 0.00 -1.31 0.00 0.00 57.50 55.61 1ibl n TRP 34 Cb 0.56 0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 29.79 1ibl n TRP 34 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1ibl s SER 35 N -1.87 5.99 0.00 -0.99 0.15 -1.26 -4.81 113.70 110.91 1ibl s SER 35 Ca 0.24 -1.70 0.24 0.00 0.70 0.00 0.00 55.95 55.42 1ibl s SER 35 Cb 0.18 -2.13 0.26 0.00 -1.71 0.00 0.00 66.02 62.61 1ibl s SER 35 CO 0.31 -0.74 1.28 -2.11 1.20 0.00 0.00 173.24 173.18 1ibl n ARG 36 N 5.11 1.87 0.27 5.44 1.85 -1.26 -3.99 116.66 125.95 1ibl n ARG 36 Ca -0.12 -1.50 0.15 0.00 -1.00 0.00 0.00 57.85 55.39 1ibl n ARG 36 Cb 0.41 -1.47 0.74 0.00 -1.05 0.00 0.00 32.46 31.10 1ibl n ARG 36 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ibl h ARG 37 N 3.65 0.00 -6.87 2.89 2.47 -1.98 -3.28 114.38 111.26 1ibl h ARG 37 Ca 0.00 0.00 -0.49 0.00 -1.26 0.00 0.00 59.98 58.23 1ibl h ARG 37 Cb 0.85 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.19 1ibl h ARG 37 CO 0.00 0.09 0.44 -1.54 0.56 0.00 0.00 179.97 179.51 1ibl s SER 38 N -5.87 7.09 0.43 7.04 1.04 -1.26 -4.86 113.70 117.32 1ibl s SER 38 Ca -0.01 2.15 -0.22 0.00 0.48 0.00 0.00 55.95 58.34 1ibl s SER 38 Cb 0.11 -2.61 -0.09 0.00 0.10 0.00 0.00 66.02 63.53 1ibl s SER 38 CO 0.55 -0.26 1.01 -0.89 0.98 0.00 0.00 173.24 174.64 1ibl s THR 39 N -1.37 3.96 -0.18 2.02 2.01 -0.48 -3.43 115.64 118.18 1ibl s THR 39 Ca 0.50 1.34 -0.25 0.00 0.31 0.00 0.00 61.69 63.59 1ibl s THR 39 Cb -0.27 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 1ibl s THR 39 CO 0.35 -0.15 0.80 -0.63 -0.69 0.00 0.00 174.62 174.30 1ibl s ILE 40 N -1.90 4.90 0.31 1.82 1.01 -0.83 -4.86 121.20 121.65 1ibl s ILE 40 Ca 0.61 1.57 0.11 0.00 0.00 0.00 0.00 60.65 62.94 1ibl s ILE 40 Cb -0.16 -4.11 -0.06 0.00 0.01 0.00 0.00 42.46 38.14 1ibl s ILE 40 CO 0.21 0.03 -0.14 0.68 0.00 0.00 0.00 174.94 175.72 1ibl s VAL 41 N 2.15 2.42 0.21 2.92 -7.23 -1.26 -3.54 120.40 116.07 1ibl s VAL 41 Ca 0.37 -2.29 -0.21 0.00 -1.81 0.00 0.00 61.98 58.04 1ibl s VAL 41 Cb -0.16 -2.49 0.16 0.00 0.56 0.00 0.00 36.38 34.45 1ibl s VAL 41 CO 0.12 -0.31 1.55 -2.65 -0.31 0.00 0.00 175.10 173.50 1ibl n PRO 42 N -0.72 -0.29 0.00 4.82 -0.02 -1.26 -0.63 135.00 136.91 1ibl n PRO 42 Ca -0.05 1.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.96 1ibl n PRO 42 Cb 0.61 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1ibl n PRO 42 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ibl n GLU 43 N -5.41 0.00 -0.09 -0.52 0.00 -1.26 -1.06 120.64 112.30 1ibl n GLU 43 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.14 1ibl n GLU 43 Cb 0.36 -1.24 -0.12 0.00 0.00 0.00 0.00 31.44 30.44 1ibl n GLU 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1ibl n MET 44 N -0.67 1.03 -1.33 3.44 2.81 0.20 -4.78 117.12 117.83 1ibl n MET 44 Ca 0.00 0.03 -0.43 0.00 -1.81 0.00 0.00 57.70 55.49 1ibl n MET 44 Cb 0.00 -1.43 -0.01 0.00 -0.71 0.00 0.00 33.22 31.07 1ibl n MET 44 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1ibl n VAL 45 N -2.78 0.99 0.00 2.03 0.31 -0.23 -0.07 118.33 118.59 1ibl n VAL 45 Ca -0.31 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.52 1ibl n VAL 45 Cb 1.01 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.91 1ibl n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ibl n GLY 46 N 2.24 2.60 1.08 2.92 0.00 -0.80 -4.99 105.19 108.24 1ibl n GLY 46 Ca 0.13 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1ibl n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ibl n HIS 47 N 0.00 -3.51 -3.41 1.61 -0.00 0.90 -4.88 115.22 105.93 1ibl n HIS 47 Ca 0.00 -0.32 -0.19 0.00 -0.00 0.00 0.00 57.72 57.22 1ibl n HIS 47 Cb 0.00 -0.33 -0.10 0.00 -0.00 0.00 0.00 29.99 29.56 1ibl n HIS 47 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1ibl s THR 48 N -1.69 -0.33 -0.26 1.59 2.01 -1.26 -3.51 115.64 112.20 1ibl s THR 48 Ca 0.22 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.41 1ibl s THR 48 Cb -0.02 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 1ibl s THR 48 CO 0.16 -0.55 0.19 -0.63 -0.69 0.00 0.00 174.62 173.10 1ibl s ILE 49 N 2.06 5.33 -0.64 1.82 1.01 -1.13 -0.68 121.20 128.97 1ibl s ILE 49 Ca 0.11 0.20 -0.24 0.00 0.00 0.00 0.00 60.65 60.73 1ibl s ILE 49 Cb -0.15 -3.53 0.06 0.00 0.01 0.00 0.00 42.46 38.85 1ibl s ILE 49 CO -0.25 0.29 1.00 0.00 0.00 0.00 0.00 174.94 175.98 1ibl s ALA 50 N 1.44 3.08 0.04 9.38 0.00 0.30 0.49 121.76 136.49 1ibl s ALA 50 Ca 0.08 -1.59 -0.22 0.00 0.00 0.00 0.00 51.96 50.22 1ibl s ALA 50 Cb -0.15 -3.88 -0.06 0.00 0.00 0.00 0.00 23.12 19.04 1ibl s ALA 50 CO 0.08 -2.72 0.66 0.08 0.00 0.00 0.00 175.76 173.86 1ibl s VAL 51 N 4.26 4.77 0.25 0.00 1.01 0.20 -1.63 120.40 129.25 1ibl s VAL 51 Ca 0.26 1.41 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 1ibl s VAL 51 Cb -0.14 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 1ibl s VAL 51 CO 0.14 0.44 0.95 -0.47 0.00 0.00 0.00 175.10 176.15 1ibl s TYR 52 N -0.41 3.94 -0.74 5.22 5.04 -1.04 -0.32 117.35 129.05 1ibl s TYR 52 Ca 0.33 1.90 0.16 0.00 -2.44 0.00 0.00 57.07 57.02 1ibl s TYR 52 Cb -0.20 -3.00 -0.17 0.00 0.35 0.00 0.00 41.96 38.94 1ibl s TYR 52 CO 0.20 0.37 0.67 0.27 -1.34 0.00 0.00 175.55 175.72 1ibl n ASN 53 N 1.40 0.75 0.00 4.32 0.23 -0.17 -4.91 115.26 116.88 1ibl n ASN 53 Ca -0.02 -0.86 0.00 0.00 -0.53 0.00 0.00 54.58 53.17 1ibl n ASN 53 Cb 0.47 1.01 0.00 0.00 -2.08 0.00 0.00 39.78 39.18 1ibl n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ibl n GLY 54 N 1.37 1.67 0.00 4.83 0.00 -1.26 -4.65 105.19 107.15 1ibl n GLY 54 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1ibl n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ibl n LYS 55 N 0.00 1.59 -4.14 1.61 4.81 -1.26 -5.13 118.16 115.63 1ibl n LYS 55 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1ibl n LYS 55 Cb 0.00 -0.56 -0.10 0.00 0.02 0.00 0.00 35.03 34.39 1ibl n LYS 55 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1ibl s GLN 56 N -0.91 0.98 -0.44 1.64 -1.52 -1.26 -5.12 119.66 113.03 1ibl s GLN 56 Ca 0.00 -1.45 -0.06 0.00 -1.95 0.00 0.00 55.36 51.90 1ibl s GLN 56 Cb 0.00 0.26 0.11 0.00 -0.22 0.00 0.00 33.01 33.16 1ibl s GLN 56 CO 0.00 -0.29 0.27 -1.01 -0.25 0.00 0.00 175.29 174.01 1ibl s HIS 57 N -4.06 3.48 -0.18 0.91 3.76 -1.26 -1.00 115.29 116.95 1ibl s HIS 57 Ca 0.26 -2.07 -0.15 0.00 -0.15 0.00 0.00 55.06 52.95 1ibl s HIS 57 Cb 0.07 -3.32 -0.04 0.00 1.11 0.00 0.00 32.58 30.40 1ibl s HIS 57 CO 0.03 -0.97 0.33 0.14 -0.85 0.00 0.00 174.74 173.42 1ibl s VAL 58 N 1.27 5.27 0.28 -0.90 -7.23 0.57 -4.78 120.40 114.88 1ibl s VAL 58 Ca 0.06 0.60 -0.29 0.00 -1.81 0.00 0.00 61.98 60.54 1ibl s VAL 58 Cb -0.24 -3.67 -0.10 0.00 0.56 0.00 0.00 36.38 32.93 1ibl s VAL 58 CO -0.02 0.33 1.38 -2.16 -0.31 0.00 0.00 175.10 174.32 1ibl s PRO 59 N 0.84 4.30 -0.35 4.82 0.04 -1.26 0.61 135.00 144.00 1ibl s PRO 59 Ca 0.17 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1ibl s PRO 59 Cb -0.14 -3.09 0.12 0.00 0.04 0.00 0.00 34.50 31.42 1ibl s PRO 59 CO 0.06 -0.32 0.15 0.08 0.04 0.00 0.00 177.00 177.01 1ibl s VAL 60 N -0.50 0.92 0.10 -0.36 1.01 0.18 -4.86 120.40 116.89 1ibl s VAL 60 Ca 0.55 -1.76 -0.31 0.00 0.00 0.00 0.00 61.98 60.45 1ibl s VAL 60 Cb -0.41 -1.68 -0.09 0.00 0.00 0.00 0.00 36.38 34.21 1ibl s VAL 60 CO 0.48 -0.78 1.58 -0.47 0.00 0.00 0.00 175.10 175.90 1ibl s TYR 61 N 1.19 2.77 -0.26 5.22 6.04 -1.26 -2.82 117.35 128.23 1ibl s TYR 61 Ca 0.13 0.53 -0.08 0.00 0.04 0.00 0.00 57.07 57.69 1ibl s TYR 61 Cb -0.20 -3.90 -0.03 0.00 -1.04 0.00 0.00 41.96 36.79 1ibl s TYR 61 CO -0.15 -3.46 0.08 -1.50 -1.54 0.00 0.00 175.55 168.99 1ibl s ILE 62 N 1.93 4.36 0.27 3.14 1.10 -1.23 -5.02 121.20 125.75 1ibl s ILE 62 Ca 0.71 -0.19 0.08 0.00 -0.51 0.00 0.00 60.65 60.74 1ibl s ILE 62 Cb -0.40 -3.06 -0.04 0.00 0.15 0.00 0.00 42.46 39.11 1ibl s ILE 62 CO 0.31 0.31 0.12 -0.89 -2.11 0.00 0.00 174.94 172.69 1ibl s THR 63 N 1.62 3.94 0.24 4.00 2.01 -1.26 -1.91 115.64 124.28 1ibl s THR 63 Ca 0.06 -1.61 -0.07 0.00 0.31 0.00 0.00 61.69 60.38 1ibl s THR 63 Cb -0.15 -3.16 0.24 0.00 0.01 0.00 0.00 72.50 69.45 1ibl s THR 63 CO 0.04 -0.34 1.66 -0.08 -0.69 0.00 0.00 174.62 175.21 1ibl h GLU 64 N 1.63 0.15 -0.61 4.92 4.57 -1.99 -0.24 114.58 123.02 1ibl h GLU 64 Ca -0.46 -0.01 0.18 0.00 -1.18 0.00 0.00 59.36 57.88 1ibl h GLU 64 Cb 1.24 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.78 1ibl h GLU 64 CO 0.61 0.10 0.49 -2.95 -1.18 0.00 0.00 179.01 176.08 1ibl h ASN 65 N 0.16 0.00 -0.73 1.04 -1.07 -2.03 -2.45 115.58 110.49 1ibl h ASN 65 Ca 0.40 0.00 -0.38 0.00 0.07 0.00 0.00 56.30 56.39 1ibl h ASN 65 Cb 0.68 0.00 -0.23 0.00 -2.07 0.00 0.00 38.32 36.71 1ibl h ASN 65 CO -0.58 0.00 0.35 1.15 0.07 0.00 0.00 177.43 178.41 1ibl n MET 66 N -4.11 2.07 0.00 4.14 0.00 -0.10 -4.88 117.12 114.24 1ibl n MET 66 Ca 0.12 -3.09 0.00 0.00 0.00 0.00 0.00 57.70 54.73 1ibl n MET 66 Cb 0.73 -2.03 0.00 0.00 0.00 0.00 0.00 33.22 31.92 1ibl n MET 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1ibl n VAL 67 N -1.14 0.00 0.00 3.17 0.31 -0.93 -4.04 118.33 115.70 1ibl n VAL 67 Ca 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 1ibl n VAL 67 Cb 1.41 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 1ibl n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ibl n GLY 68 N 0.39 0.00 3.40 2.92 0.00 -1.23 -4.08 105.19 106.59 1ibl n GLY 68 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ibl n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ibl n HIS 69 N -2.45 -1.30 -4.26 1.61 8.25 -1.26 -4.40 115.22 111.41 1ibl n HIS 69 Ca 0.00 -0.04 -0.33 0.00 -0.26 0.00 0.00 57.72 57.09 1ibl n HIS 69 Cb 0.00 -1.66 -0.09 0.00 1.12 0.00 0.00 29.99 29.37 1ibl n HIS 69 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1ibl s LYS 70 N -4.06 2.83 0.22 -0.41 1.02 -1.26 -1.96 119.74 116.13 1ibl s LYS 70 Ca 0.64 -0.59 -0.07 0.00 0.02 0.00 0.00 55.97 55.97 1ibl s LYS 70 Cb -0.21 -2.70 0.36 0.00 -0.52 0.00 0.00 37.83 34.76 1ibl s LYS 70 CO 0.66 0.63 1.27 1.28 -0.92 0.00 0.00 175.35 178.26 1ibl n LEU 71 N 1.39 -0.31 -0.30 3.17 4.77 -1.22 -0.45 117.00 124.05 1ibl n LEU 71 Ca -0.14 1.40 0.13 0.00 -0.03 0.00 0.00 56.01 57.36 1ibl n LEU 71 Cb 0.53 -0.41 0.29 0.00 -2.33 0.00 0.00 43.42 41.50 1ibl n LEU 71 CO 0.34 -1.33 0.98 1.23 -1.33 0.00 0.00 177.39 177.27 1ibl h GLY 72 N 0.00 1.41 1.43 -0.72 0.00 -1.87 0.38 103.07 103.69 1ibl h GLY 72 Ca 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1ibl h GLY 72 CO -0.83 -0.33 0.23 0.83 0.00 0.00 0.00 176.54 176.43 1ibl h GLU 73 N 0.27 0.00 -0.00 4.80 5.08 -1.10 0.17 114.58 123.79 1ibl h GLU 73 Ca 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 1ibl h GLU 73 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1ibl h GLU 73 CO -0.61 0.00 -0.50 1.19 -1.00 0.00 0.00 179.01 178.09 1ibl n PHE 74 N -2.27 0.00 -3.90 4.33 3.01 0.13 -4.71 117.46 114.05 1ibl n PHE 74 Ca -0.01 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.16 1ibl n PHE 74 Cb 0.26 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.60 1ibl n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ibl s ALA 75 N -2.08 3.59 0.23 4.37 0.00 0.59 -5.01 121.76 123.45 1ibl s ALA 75 Ca 0.08 -3.62 -0.32 0.00 0.00 0.00 0.00 51.96 48.10 1ibl s ALA 75 Cb 0.11 -2.15 -0.13 0.00 0.00 0.00 0.00 23.12 20.95 1ibl s ALA 75 CO 0.48 -2.07 1.54 -0.35 0.00 0.00 0.00 175.76 175.36 1ibl n PRO 76 N 2.35 2.33 0.09 0.00 -0.04 -1.26 -4.73 135.00 133.73 1ibl n PRO 76 Ca 0.15 0.83 -0.04 0.00 -0.04 0.00 0.00 63.50 64.41 1ibl n PRO 76 Cb 0.34 -2.58 -0.02 0.00 -0.04 0.00 0.00 33.50 31.21 1ibl n PRO 76 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1ibl h THR 77 N 3.38 0.00 -4.43 0.52 2.02 -1.89 -3.46 112.91 109.04 1ibl h THR 77 Ca -0.45 -0.14 -0.50 0.00 0.77 0.00 0.00 66.41 66.09 1ibl h THR 77 Cb 1.25 0.00 0.07 0.00 -1.74 0.00 0.00 68.15 67.73 1ibl h THR 77 CO 0.83 0.00 0.41 -0.13 0.37 0.00 0.00 175.52 177.00 1ibl s ARG 78 N -2.70 3.04 -0.26 6.66 0.52 -1.26 -4.94 118.95 120.01 1ibl s ARG 78 Ca -0.03 0.57 0.03 0.00 -0.52 0.00 0.00 55.73 55.77 1ibl s ARG 78 Cb 0.00 -2.03 0.06 0.00 0.52 0.00 0.00 34.95 33.50 1ibl s ARG 78 CO 0.10 -0.93 -0.09 0.99 0.02 0.00 0.00 175.30 175.39 1ibl s THR 79 N -3.29 2.09 -0.07 0.02 2.01 -1.26 -5.10 115.64 110.04 1ibl s THR 79 Ca 0.57 -1.64 0.02 0.00 0.31 0.00 0.00 61.69 60.95 1ibl s THR 79 Cb -0.11 -2.25 0.02 0.00 0.01 0.00 0.00 72.50 70.17 1ibl s THR 79 CO 0.53 -0.09 -0.11 -0.47 -0.69 0.00 0.00 174.62 173.79 1ibl s TYR 80 N 1.13 1.43 0.00 4.92 6.04 -1.26 -5.01 117.35 124.59 1ibl s TYR 80 Ca -0.07 -0.55 0.00 0.00 0.04 0.00 0.00 57.07 56.49 1ibl s TYR 80 Cb -0.20 -1.07 0.00 0.00 -1.04 0.00 0.00 41.96 39.65 1ibl s TYR 80 CO -0.05 -0.31 0.00 0.54 -1.54 0.00 0.00 175.55 174.19 1ibl n ARG 81 N 3.98 2.20 0.00 4.97 1.74 -1.26 -5.13 116.66 123.16 1ibl n ARG 81 Ca -0.22 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.86 1ibl n ARG 81 Cb 0.51 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 31.03 1ibl n ARG 81 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ibl n GLY 82 N 2.37 -0.65 0.00 -0.13 0.00 -1.26 -4.97 105.19 100.55 1ibl n GLY 82 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1ibl n GLY 82 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ibl n HIS 83 N 0.00 0.00 0.00 1.61 8.25 -1.26 -5.03 115.22 118.79 1ibl n HIS 83 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ibl n HIS 83 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1ibl n HIS 83 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ibl n GLY 84 N 0.00 -1.91 0.00 -1.41 0.00 -1.26 -5.35 105.19 95.26 1ibl n GLY 84 Ca 0.00 0.41 0.10 0.00 0.00 0.00 0.00 46.02 46.53 1ibl n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60