#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4q s PRO 2 N 0.00 3.27 0.04 -2.82 0.04 -1.26 -4.82 135.00 129.45 1r4q s PRO 2 Ca 0.00 0.03 -0.30 0.00 0.04 0.00 0.00 61.00 60.77 1r4q s PRO 2 Cb 0.00 -2.37 -0.07 0.00 0.04 0.00 0.00 34.50 32.10 1r4q s PRO 2 CO 0.00 -0.37 1.56 -0.51 0.04 0.00 0.00 177.00 177.72 1r4q s ASP 3 N -4.18 6.70 -0.18 6.66 1.11 -1.26 -1.82 116.67 123.69 1r4q s ASP 3 Ca 0.49 2.34 -0.17 0.00 0.18 0.00 0.00 52.55 55.40 1r4q s ASP 3 Cb -0.10 -2.56 -0.06 0.00 1.07 0.00 0.00 42.92 41.27 1r4q s ASP 3 CO 0.44 -0.83 -0.32 0.00 1.18 0.00 0.00 175.17 175.64 1r4q s VAL 5 N -2.80 0.09 -0.05 0.00 -7.23 -1.13 -5.00 120.40 104.28 1r4q s VAL 5 Ca -0.27 -0.77 0.03 0.00 -1.81 0.00 0.00 61.98 59.15 1r4q s VAL 5 Cb 0.04 -0.25 0.01 0.00 0.56 0.00 0.00 36.38 36.74 1r4q s VAL 5 CO 0.40 -0.42 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.75 1r4q s THR 6 N -1.26 1.18 -3.72 5.32 2.01 -1.26 -0.50 115.64 117.40 1r4q s THR 6 Ca -0.14 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.33 1r4q s THR 6 Cb -0.08 -1.05 0.00 0.00 0.01 0.00 0.00 72.50 71.37 1r4q s THR 6 CO -0.01 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 1r4q n GLY 7 N 3.57 -2.18 3.83 4.40 0.00 -0.38 -4.67 105.19 109.76 1r4q n GLY 7 Ca -0.21 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 1r4q n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r4q s LYS 8 N -1.86 3.82 -0.29 1.61 1.02 -1.26 -1.28 119.74 121.50 1r4q s LYS 8 Ca 0.00 1.05 -0.29 0.00 0.02 0.00 0.00 55.97 56.75 1r4q s LYS 8 Cb 0.00 -2.11 -0.01 0.00 -0.52 0.00 0.00 37.83 35.19 1r4q s LYS 8 CO 0.00 -0.38 1.44 0.08 -0.92 0.00 0.00 175.35 175.57 1r4q s VAL 9 N -2.51 3.94 0.05 3.17 1.01 -1.26 -4.39 120.40 120.40 1r4q s VAL 9 Ca 0.61 1.04 -0.18 0.00 0.00 0.00 0.00 61.98 63.45 1r4q s VAL 9 Cb -0.12 -3.99 -0.16 0.00 0.00 0.00 0.00 36.38 32.11 1r4q s VAL 9 CO 0.30 -0.45 1.27 -0.08 0.00 0.00 0.00 175.10 176.14 1r4q h GLU 10 N 10.07 0.50 -2.47 2.72 4.81 -0.69 -3.46 114.58 126.06 1r4q h GLU 10 Ca -0.29 -0.36 0.05 0.00 -0.13 0.00 0.00 59.36 58.63 1r4q h GLU 10 Cb 1.12 0.06 -0.15 0.00 0.63 0.00 0.00 28.75 30.41 1r4q h GLU 10 CO 1.03 0.98 0.38 1.52 -0.73 0.00 0.00 179.01 182.19 1r4q s TYR 11 N -3.86 -0.43 0.07 0.92 -0.85 -1.24 -4.99 117.35 106.95 1r4q s TYR 11 Ca -0.13 0.34 0.05 0.00 -0.52 0.00 0.00 57.07 56.81 1r4q s TYR 11 Cb 0.06 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.90 1r4q s TYR 11 CO 0.81 -0.64 -0.14 0.95 -1.52 0.00 0.00 175.55 175.01 1r4q s THR 12 N -3.09 1.08 -0.05 -3.49 -4.23 -1.26 -1.07 115.64 103.52 1r4q s THR 12 Ca 0.02 -1.30 0.01 0.00 -1.18 0.00 0.00 61.69 59.24 1r4q s THR 12 Cb -0.01 -1.05 0.02 0.00 1.34 0.00 0.00 72.50 72.80 1r4q s THR 12 CO -0.09 -0.24 -0.05 -0.75 -0.54 0.00 0.00 174.62 172.96 1r4q s LYS 13 N -1.75 0.93 -0.49 3.99 2.20 -0.42 -4.97 119.74 119.23 1r4q s LYS 13 Ca -0.02 -0.11 -0.21 0.00 -0.36 0.00 0.00 55.97 55.26 1r4q s LYS 13 Cb -0.10 -0.96 0.04 0.00 -1.51 0.00 0.00 37.83 35.30 1r4q s LYS 13 CO 0.02 -0.12 0.71 -0.47 -0.36 0.00 0.00 175.35 175.14 1r4q s TYR 14 N 1.10 3.00 0.62 4.03 6.14 -1.26 -0.60 117.35 130.37 1r4q s TYR 14 Ca -0.08 -0.20 -0.12 0.00 0.64 0.00 0.00 57.07 57.31 1r4q s TYR 14 Cb -0.14 -3.59 -0.04 0.00 0.42 0.00 0.00 41.96 38.61 1r4q s TYR 14 CO -0.01 -1.04 1.03 -0.80 0.64 0.00 0.00 175.55 175.38 1r4q s ASN 15 N 2.42 6.12 0.24 4.32 0.01 -1.06 -4.98 114.94 122.01 1r4q s ASN 15 Ca 0.22 1.49 -0.07 0.00 -0.71 0.00 0.00 52.86 53.80 1r4q s ASN 15 Cb -0.15 -2.48 0.23 0.00 0.41 0.00 0.00 41.25 39.25 1r4q s ASN 15 CO 0.17 -0.94 1.89 -0.78 -1.51 0.00 0.00 177.10 175.93 1r4q h ASP 16 N -0.18 1.14 0.00 -1.22 3.58 -1.96 -2.52 116.42 115.25 1r4q h ASP 16 Ca -0.44 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 56.94 1r4q h ASP 16 Cb 1.19 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.96 1r4q h ASP 16 CO 0.61 0.87 0.00 -0.90 -2.88 0.00 0.00 179.24 176.94 1r4q n ASP 17 N -4.36 1.58 -2.29 2.28 5.68 -1.26 -4.83 116.55 113.34 1r4q n ASP 17 Ca 0.11 -1.69 -0.18 0.00 -0.50 0.00 0.00 54.79 52.53 1r4q n ASP 17 Cb 0.06 -0.42 -0.02 0.00 -1.14 0.00 0.00 41.12 39.60 1r4q n ASP 17 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1r4q n ASP 18 N 0.29 -5.13 -3.97 -1.12 8.00 -0.95 -5.01 116.55 108.66 1r4q n ASP 18 Ca 0.00 0.11 -0.13 0.00 0.71 0.00 0.00 54.79 55.48 1r4q n ASP 18 Cb 0.30 -4.34 0.05 0.00 -0.02 0.00 0.00 41.12 37.11 1r4q n ASP 18 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1r4q n THR 19 N -3.57 0.00 -3.72 -3.53 -2.24 -1.26 -4.87 114.28 95.09 1r4q n THR 19 Ca -0.21 -1.30 -0.16 0.00 -2.27 0.00 0.00 64.05 60.12 1r4q n THR 19 Cb 0.65 -0.68 -0.16 0.00 -2.10 0.00 0.00 70.33 68.04 1r4q n THR 19 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1r4q s PHE 20 N -1.43 -0.05 0.03 4.78 5.36 -0.63 -2.57 117.98 123.48 1r4q s PHE 20 Ca 0.41 0.33 -0.01 0.00 -0.96 0.00 0.00 56.93 56.70 1r4q s PHE 20 Cb -0.03 -0.26 -0.04 0.00 -0.34 0.00 0.00 43.02 42.35 1r4q s PHE 20 CO 0.26 -0.16 0.18 0.99 -1.46 0.00 0.00 175.22 175.03 1r4q s THR 21 N 1.57 5.33 0.03 0.12 2.01 0.23 -1.95 115.64 122.98 1r4q s THR 21 Ca -0.04 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.68 1r4q s THR 21 Cb -0.12 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 1r4q s THR 21 CO -0.04 0.24 -0.07 0.54 -0.69 0.00 0.00 174.62 174.59 1r4q s VAL 22 N -1.40 0.50 -0.28 3.82 0.11 0.19 -1.30 120.40 122.03 1r4q s VAL 22 Ca 0.30 -0.94 0.02 0.00 -2.93 0.00 0.00 61.98 58.43 1r4q s VAL 22 Cb -0.13 -0.55 0.06 0.00 -1.53 0.00 0.00 36.38 34.23 1r4q s VAL 22 CO 0.23 -0.31 -0.06 -0.75 -3.33 0.00 0.00 175.10 170.88 1r4q s LYS 23 N -1.36 2.19 -0.03 1.54 2.47 -0.23 -1.34 119.74 122.97 1r4q s LYS 23 Ca -0.09 -1.40 0.04 0.00 -1.56 0.00 0.00 55.97 52.96 1r4q s LYS 23 Cb -0.09 -3.01 -0.00 0.00 -1.46 0.00 0.00 37.83 33.26 1r4q s LYS 23 CO 0.00 -0.64 -0.15 0.08 0.16 0.00 0.00 175.35 174.81 1r4q s VAL 24 N 1.11 1.23 0.00 4.02 1.01 -1.00 0.13 120.40 126.91 1r4q s VAL 24 Ca -0.05 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1r4q s VAL 24 Cb -0.20 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1r4q s VAL 24 CO -0.04 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1r4q n GLY 25 N 3.10 2.85 0.00 4.51 0.00 -1.26 -2.40 105.19 111.99 1r4q n GLY 25 Ca -0.17 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1r4q n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1r4q n ASP 26 N 10.16 0.06 -4.85 1.61 5.68 -1.26 -5.02 116.55 122.93 1r4q n ASP 26 Ca 0.00 -0.49 -0.35 0.00 -0.50 0.00 0.00 54.79 53.46 1r4q n ASP 26 Cb 0.00 0.83 -0.06 0.00 -1.14 0.00 0.00 41.12 40.75 1r4q n ASP 26 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1r4q s LYS 27 N -0.83 3.94 -0.31 0.11 -0.14 -1.01 -4.91 119.74 116.59 1r4q s LYS 27 Ca 0.00 0.45 -0.02 0.00 -1.36 0.00 0.00 55.97 55.03 1r4q s LYS 27 Cb 0.00 -2.86 0.05 0.00 -1.68 0.00 0.00 37.83 33.34 1r4q s LYS 27 CO 0.00 0.44 0.02 -2.00 -0.76 0.00 0.00 175.35 173.05 1r4q s GLU 28 N -2.15 2.44 0.35 1.68 2.12 -1.26 -2.36 118.70 119.52 1r4q s GLU 28 Ca 0.40 -1.27 0.09 0.00 0.36 0.00 0.00 54.97 54.55 1r4q s GLU 28 Cb -0.14 -3.23 -0.07 0.00 0.26 0.00 0.00 34.13 30.95 1r4q s GLU 28 CO 0.19 -0.64 -0.07 -0.51 -0.54 0.00 0.00 175.26 173.69 1r4q s LEU 29 N 1.27 2.77 0.15 2.70 1.43 -0.45 -0.17 118.68 126.37 1r4q s LEU 29 Ca -0.04 -1.21 0.01 0.00 -1.03 0.00 0.00 54.13 51.85 1r4q s LEU 29 Cb -0.20 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 1r4q s LEU 29 CO -0.01 -0.24 -0.00 0.72 0.23 0.00 0.00 176.35 177.05 1r4q s PHE 30 N -2.62 1.08 0.10 0.29 -0.71 -0.51 0.56 117.98 116.16 1r4q s PHE 30 Ca 0.33 -1.03 0.02 0.00 -1.04 0.00 0.00 56.93 55.21 1r4q s PHE 30 Cb 0.03 -0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 41.19 1r4q s PHE 30 CO 0.17 -0.25 -0.07 -0.08 -1.34 0.00 0.00 175.22 173.65 1r4q s THR 31 N -3.71 0.76 0.00 -4.49 -1.32 -0.82 -0.98 115.64 105.07 1r4q s THR 31 Ca 0.21 -1.86 0.00 0.00 -1.21 0.00 0.00 61.69 58.83 1r4q s THR 31 Cb 0.06 -1.59 0.00 0.00 -1.51 0.00 0.00 72.50 69.46 1r4q s THR 31 CO 0.02 -0.80 0.89 -0.46 -2.21 0.00 0.00 174.62 172.06 1r4q n ASN 32 N 0.10 1.73 -4.49 8.08 6.94 -1.26 -1.60 115.26 124.77 1r4q n ASN 32 Ca -0.13 -1.80 -0.43 0.00 -0.02 0.00 0.00 54.58 52.20 1r4q n ASN 32 Cb 0.60 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.98 1r4q n ASN 32 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1r4q s ARG 33 N -0.80 3.22 0.41 -3.83 1.81 -1.26 -4.90 118.95 113.61 1r4q s ARG 33 Ca 0.00 -0.56 0.26 0.00 -1.72 0.00 0.00 55.73 53.71 1r4q s ARG 33 Cb 0.00 -4.12 1.35 0.00 -0.45 0.00 0.00 34.95 31.73 1r4q s ARG 33 CO 0.00 -1.56 1.63 -1.49 -0.68 0.00 0.00 175.30 173.20 1r4q h TRP 34 N 9.35 0.62 -0.59 -0.53 4.06 -1.91 -1.83 115.95 125.12 1r4q h TRP 34 Ca -0.27 0.03 0.03 0.00 2.06 0.00 0.00 58.89 60.74 1r4q h TRP 34 Cb 1.08 -0.15 -0.04 0.00 -1.00 0.00 0.00 29.16 29.04 1r4q h TRP 34 CO 0.91 -0.22 0.35 -0.91 -3.56 0.00 0.00 178.44 175.01 1r4q h ASN 35 N 0.12 0.56 0.05 -3.49 2.35 -2.01 -2.73 115.58 110.43 1r4q h ASN 35 Ca 0.80 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.56 1r4q h ASN 35 Cb 2.36 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 40.62 1r4q h ASN 35 CO -0.48 0.39 0.00 0.18 -1.65 0.00 0.00 177.43 175.87 1r4q n LEU 36 N -4.76 0.28 0.35 1.61 4.77 -0.69 -3.78 117.00 114.78 1r4q n LEU 36 Ca 0.05 0.63 -0.15 0.00 -0.03 0.00 0.00 56.01 56.51 1r4q n LEU 36 Cb 0.09 -0.65 -0.07 0.00 -2.33 0.00 0.00 43.42 40.46 1r4q n LEU 36 CO 0.32 -0.70 0.53 1.56 -1.33 0.00 0.00 177.39 177.77 1r4q h GLN 37 N 0.00 -0.89 -0.18 3.23 4.20 -1.62 -1.28 115.11 118.57 1r4q h GLN 37 Ca 0.00 0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 1r4q h GLN 37 Cb 0.03 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1r4q h GLN 37 CO 0.00 -0.59 -0.33 0.66 -0.67 0.00 0.00 178.83 177.90 1r4q h SER 38 N -0.92 0.38 -0.48 1.46 4.64 -1.80 -2.69 113.55 114.13 1r4q h SER 38 Ca -0.09 -0.14 0.01 0.00 -0.47 0.00 0.00 61.79 61.11 1r4q h SER 38 Cb 0.72 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1r4q h SER 38 CO 0.12 0.69 0.32 -0.07 -0.87 0.00 0.00 176.83 177.01 1r4q h LEU 39 N 0.32 0.52 0.08 5.97 3.38 -1.67 -1.62 115.31 122.29 1r4q h LEU 39 Ca 0.04 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.74 1r4q h LEU 39 Cb 0.74 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1r4q h LEU 39 CO 0.06 0.37 -1.24 -0.07 0.09 0.00 0.00 178.44 177.65 1r4q h LEU 40 N 0.61 0.26 -0.85 1.67 3.38 -0.93 -2.49 115.31 116.95 1r4q h LEU 40 Ca 0.18 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1r4q h LEU 40 Cb -0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1r4q h LEU 40 CO -0.04 1.24 -0.02 0.25 0.09 0.00 0.00 178.44 179.96 1r4q h LEU 41 N 0.05 0.81 -0.26 1.67 5.85 -1.21 0.29 115.31 122.50 1r4q h LEU 41 Ca -0.12 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1r4q h LEU 41 Cb 1.92 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.72 1r4q h LEU 41 CO 0.17 0.89 0.13 0.28 -0.34 0.00 0.00 178.44 179.56 1r4q h SER 42 N 0.77 0.33 -0.13 1.25 0.02 -1.32 0.18 113.55 114.66 1r4q h SER 42 Ca 0.15 -0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1r4q h SER 42 Cb 0.49 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1r4q h SER 42 CO 0.02 0.34 -0.07 0.00 -1.14 0.00 0.00 176.83 175.99 1r4q h ALA 43 N 1.00 0.04 -0.57 3.77 0.00 -0.91 -0.82 119.26 121.77 1r4q h ALA 43 Ca 0.09 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1r4q h ALA 43 Cb 0.10 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1r4q h ALA 43 CO -0.01 -0.52 0.31 0.37 0.00 0.00 0.00 179.25 179.39 1r4q h GLN 44 N -0.07 0.79 -0.67 0.00 4.15 -0.23 -1.72 115.11 117.37 1r4q h GLN 44 Ca 0.08 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1r4q h GLN 44 Cb 0.18 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 1r4q h GLN 44 CO -0.17 0.61 0.34 0.82 -1.93 0.00 0.00 178.83 178.50 1r4q h ILE 45 N 0.76 1.22 -0.00 2.39 2.04 -0.18 -3.05 117.51 120.69 1r4q h ILE 45 Ca 0.20 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1r4q h ILE 45 Cb 0.05 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1r4q h ILE 45 CO -0.03 0.25 -0.27 0.35 0.00 0.00 0.00 178.15 178.45 1r4q n THR 46 N -4.49 0.00 -1.67 -0.27 -2.24 -0.35 -4.93 114.28 100.33 1r4q n THR 46 Ca 0.05 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1r4q n THR 46 Cb 0.11 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1r4q n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r4q n GLY 47 N 1.45 0.48 3.78 3.38 0.00 -0.89 -5.02 105.19 108.37 1r4q n GLY 47 Ca 0.08 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 1r4q n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1r4q s MET 48 N -3.41 3.40 -0.10 1.61 -1.94 -0.70 -4.94 119.30 113.22 1r4q s MET 48 Ca 0.00 1.56 -0.20 0.00 -1.71 0.00 0.00 55.69 55.34 1r4q s MET 48 Cb 0.00 -2.02 -0.04 0.00 2.01 0.00 0.00 34.83 34.78 1r4q s MET 48 CO 0.00 -0.80 0.55 0.99 -0.01 0.00 0.00 175.02 175.75 1r4q s THR 49 N -1.83 5.14 0.11 2.05 2.01 -1.16 -4.26 115.64 117.69 1r4q s THR 49 Ca 0.72 1.12 0.09 0.00 0.31 0.00 0.00 61.69 63.93 1r4q s THR 49 Cb -0.23 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1r4q s THR 49 CO 0.27 0.30 -0.22 0.68 -0.69 0.00 0.00 174.62 174.96 1r4q s VAL 50 N 0.67 1.80 -0.21 3.82 -7.23 -0.40 -1.93 120.40 116.91 1r4q s VAL 50 Ca 0.30 -1.59 -0.04 0.00 -1.81 0.00 0.00 61.98 58.85 1r4q s VAL 50 Cb -0.16 -1.63 -0.01 0.00 0.56 0.00 0.00 36.38 35.14 1r4q s VAL 50 CO 0.13 -0.04 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.94 1r4q s THR 51 N -1.16 3.38 -0.16 5.32 2.01 -0.86 -1.26 115.64 122.91 1r4q s THR 51 Ca 0.08 -0.50 -0.08 0.00 0.31 0.00 0.00 61.69 61.51 1r4q s THR 51 Cb -0.10 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 1r4q s THR 51 CO 0.05 0.43 0.10 -0.63 -0.69 0.00 0.00 174.62 173.88 1r4q s ILE 52 N 1.34 5.18 -0.21 1.82 1.01 0.34 -1.26 121.20 129.42 1r4q s ILE 52 Ca 0.04 0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.74 1r4q s ILE 52 Cb -0.14 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.00 1r4q s ILE 52 CO -0.02 0.52 -0.01 -0.75 0.00 0.00 0.00 174.94 174.67 1r4q s LYS 53 N -0.21 3.52 -0.11 2.79 2.47 -0.49 -0.66 119.74 127.05 1r4q s LYS 53 Ca 0.10 -0.56 -0.30 0.00 -1.56 0.00 0.00 55.97 53.64 1r4q s LYS 53 Cb -0.12 -3.06 0.12 0.00 -1.46 0.00 0.00 37.83 33.31 1r4q s LYS 53 CO 0.01 -0.09 1.00 -0.08 0.16 0.00 0.00 175.35 176.35 1r4q s THR 54 N 1.25 0.00 -0.06 3.43 -1.32 -0.75 -4.01 115.64 114.17 1r4q s THR 54 Ca 0.03 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.55 1r4q s THR 54 Cb -0.15 -1.00 -0.25 0.00 -1.51 0.00 0.00 72.50 69.60 1r4q s THR 54 CO 0.00 0.00 0.60 0.78 -2.21 0.00 0.00 174.62 173.80 1r4q h ASN 55 N 2.24 0.21 0.00 8.08 -0.26 -1.85 -3.37 115.58 120.63 1r4q h ASN 55 Ca -0.18 -0.42 -0.13 0.00 -0.56 0.00 0.00 56.30 55.02 1r4q h ASN 55 Cb 1.19 -0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 38.35 1r4q h ASN 55 CO 0.29 1.37 0.18 0.00 -1.06 0.00 0.00 177.43 178.22 1r4q n ALA 56 N -2.72 4.06 -0.74 -0.83 0.00 -1.26 -4.78 120.51 114.24 1r4q n ALA 56 Ca -0.22 -1.09 -0.20 0.00 0.00 0.00 0.00 53.44 51.94 1r4q n ALA 56 Cb 1.05 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.12 1r4q n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r4q s HIS 58 N 2.96 0.08 0.05 0.00 -3.43 -1.26 -5.05 115.29 108.63 1r4q s HIS 58 Ca 0.42 -0.25 -0.37 0.00 -0.80 0.00 0.00 55.06 54.06 1r4q s HIS 58 Cb 0.13 -0.06 -0.17 0.00 -1.43 0.00 0.00 32.58 31.05 1r4q s HIS 58 CO -0.03 -0.35 1.39 0.09 -2.00 0.00 0.00 174.74 173.84 1r4q n ASN 59 N 1.05 1.76 0.00 7.38 4.13 -1.26 0.67 115.26 128.99 1r4q n ASN 59 Ca -0.21 1.11 0.00 0.00 1.68 0.00 0.00 54.58 57.17 1r4q n ASN 59 Cb 0.57 -1.19 0.00 0.00 -1.54 0.00 0.00 39.78 37.62 1r4q n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1r4q n GLY 60 N 2.71 1.67 3.75 7.41 0.00 0.76 -4.94 105.19 116.54 1r4q n GLY 60 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1r4q n GLY 60 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r4q s GLY 61 N -2.41 2.57 0.18 -0.02 0.00 0.21 -4.71 107.32 103.14 1r4q s GLY 61 Ca 0.00 0.91 0.02 0.00 0.00 0.00 0.00 44.72 45.65 1r4q s GLY 61 CO 0.00 1.30 0.33 -0.32 0.00 0.00 0.00 173.10 174.40 1r4q s GLY 62 N -1.83 1.65 0.19 0.20 0.00 -1.26 -1.43 107.32 104.84 1r4q s GLY 62 Ca 0.75 -1.00 -0.09 0.00 0.00 0.00 0.00 44.72 44.38 1r4q s GLY 62 CO 0.36 -0.99 0.32 -0.11 0.00 0.00 0.00 173.10 172.68 1r4q s PHE 63 N -1.82 0.47 0.00 1.90 -0.71 -0.15 -4.45 117.98 113.22 1r4q s PHE 63 Ca 0.36 -0.82 0.00 0.00 -1.04 0.00 0.00 56.93 55.43 1r4q s PHE 63 Cb -0.11 -0.05 0.00 0.00 -1.21 0.00 0.00 43.02 41.66 1r4q s PHE 63 CO 0.29 -0.78 0.00 -1.13 -1.34 0.00 0.00 175.22 172.26 1r4q n SER 64 N -0.27 0.00 -4.31 1.98 3.41 -1.26 -4.40 113.62 108.77 1r4q n SER 64 Ca -0.05 -0.34 -0.35 0.00 -0.26 0.00 0.00 58.87 57.87 1r4q n SER 64 Cb 0.63 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.44 1r4q n SER 64 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1r4q s GLU 65 N 0.00 3.38 -0.03 4.33 2.02 -1.26 -5.07 118.70 122.07 1r4q s GLU 65 Ca 0.00 -0.63 0.03 0.00 0.02 0.00 0.00 54.97 54.39 1r4q s GLU 65 Cb 0.00 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.21 1r4q s GLU 65 CO 0.00 -0.20 -0.10 0.08 0.02 0.00 0.00 175.26 175.06 1r4q s VAL 66 N 1.48 0.86 -0.18 2.63 1.01 -1.26 -1.40 120.40 123.55 1r4q s VAL 66 Ca 0.06 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 1r4q s VAL 66 Cb -0.14 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1r4q s VAL 66 CO -0.03 0.27 0.06 -0.63 0.00 0.00 0.00 175.10 174.77 1r4q s ILE 67 N 0.16 4.81 -0.59 2.22 1.01 -0.39 -4.96 121.20 123.45 1r4q s ILE 67 Ca -0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.48 1r4q s ILE 67 Cb -0.09 -3.16 0.15 0.00 0.01 0.00 0.00 42.46 39.37 1r4q s ILE 67 CO 0.01 0.47 0.49 -0.36 0.00 0.00 0.00 174.94 175.55 1r4q s PHE 68 N 0.30 3.47 -2.67 3.97 0.08 -1.26 -2.03 117.98 119.83 1r4q s PHE 68 Ca 0.04 -1.91 0.27 0.00 0.12 0.00 0.00 56.93 55.44 1r4q s PHE 68 Cb -0.12 -3.59 0.76 0.00 -0.57 0.00 0.00 43.02 39.49 1r4q s PHE 68 CO 0.00 -0.98 1.58 0.54 -0.10 0.00 0.00 175.22 176.26