#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 4.21 0.49 -2.82 0.04 -1.26 -4.80 135.00 130.86 1r4q s PRO 2 Ca 0.00 2.43 -0.23 0.00 0.04 0.00 0.00 61.00 63.24 1r4q s PRO 2 Cb 0.00 -3.01 -0.07 0.00 0.04 0.00 0.00 34.50 31.45 1r4q s PRO 2 CO 0.00 -0.41 1.25 -0.25 0.04 0.00 0.00 177.00 177.63 1r4q n ASP 3 N 0.72 2.29 0.00 6.66 9.92 -1.26 -2.23 116.55 132.65 1r4q n ASP 3 Ca 0.01 1.02 0.00 0.00 -0.53 0.00 0.00 54.79 55.29 1r4q n ASP 3 Cb 0.40 -1.51 0.00 0.00 -0.64 0.00 0.00 41.12 39.38 1r4q n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r4q s VAL 5 N -1.20 0.00 -0.01 0.00 0.11 -1.19 -5.00 120.40 113.11 1r4q s VAL 5 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1r4q s VAL 5 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1r4q s VAL 5 CO 0.00 0.00 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.86 1r4q s THR 6 N 0.01 0.22 -5.00 5.04 2.01 -1.26 -1.46 115.64 115.19 1r4q s THR 6 Ca 0.03 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1r4q s THR 6 Cb -0.04 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.25 1r4q s THR 6 CO -0.07 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 1r4q n GLY 7 N 3.29 -1.08 3.84 4.40 0.00 -0.89 -4.56 105.19 110.19 1r4q n GLY 7 Ca -0.16 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.00 3.34 -0.33 1.61 -0.14 -1.26 -1.88 119.74 119.08 1r4q s LYS 8 Ca 0.00 0.89 -0.26 0.00 -1.36 0.00 0.00 55.97 55.24 1r4q s LYS 8 Cb 0.00 -2.04 0.01 0.00 -1.68 0.00 0.00 37.83 34.12 1r4q s LYS 8 CO 0.00 -0.78 0.94 0.08 -0.76 0.00 0.00 175.35 174.83 1r4q s VAL 9 N -3.01 4.63 0.09 3.17 1.01 -1.26 -4.24 120.40 120.78 1r4q s VAL 9 Ca 0.57 1.42 0.06 0.00 0.00 0.00 0.00 61.98 64.04 1r4q s VAL 9 Cb -0.13 -4.30 -0.22 0.00 0.00 0.00 0.00 36.38 31.73 1r4q s VAL 9 CO 0.51 -0.41 1.17 -0.33 0.00 0.00 0.00 175.10 176.03 1r4q h GLU 10 N 8.18 0.04 -1.48 2.72 5.08 -1.14 -3.46 114.58 124.52 1r4q h GLU 10 Ca -0.22 -0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1r4q h GLU 10 Cb 1.08 0.03 -0.24 0.00 0.50 0.00 0.00 28.75 30.11 1r4q h GLU 10 CO 0.97 0.96 0.61 1.52 -1.00 0.00 0.00 179.01 182.07 1r4q s TYR 11 N -2.69 -0.32 0.23 4.33 -0.85 -1.25 -5.01 117.35 111.80 1r4q s TYR 11 Ca -0.01 0.56 0.12 0.00 -0.52 0.00 0.00 57.07 57.22 1r4q s TYR 11 Cb 0.09 0.45 -0.05 0.00 0.38 0.00 0.00 41.96 42.84 1r4q s TYR 11 CO 0.83 -0.29 -0.22 0.95 -1.52 0.00 0.00 175.55 175.30 1r4q s THR 12 N -1.06 2.42 -0.15 -3.49 -4.23 -1.26 -1.60 115.64 106.28 1r4q s THR 12 Ca -0.00 -2.20 -0.09 0.00 -1.18 0.00 0.00 61.69 58.21 1r4q s THR 12 Cb -0.01 -2.21 0.05 0.00 1.34 0.00 0.00 72.50 71.67 1r4q s THR 12 CO -0.00 -0.25 0.38 -0.75 -0.54 0.00 0.00 174.62 173.46 1r4q s LYS 13 N -3.06 0.37 -0.13 3.99 2.20 0.27 -4.98 119.74 118.39 1r4q s LYS 13 Ca 0.25 0.70 -0.18 0.00 -0.36 0.00 0.00 55.97 56.37 1r4q s LYS 13 Cb -0.07 0.00 -0.04 0.00 -1.51 0.00 0.00 37.83 36.22 1r4q s LYS 13 CO 0.12 -0.14 0.49 -0.47 -0.36 0.00 0.00 175.35 174.99 1r4q s TYR 14 N 1.15 3.49 0.16 4.03 6.14 -1.26 -0.57 117.35 130.50 1r4q s TYR 14 Ca -0.08 0.87 0.05 0.00 0.64 0.00 0.00 57.07 58.55 1r4q s TYR 14 Cb -0.08 -2.57 -0.04 0.00 0.42 0.00 0.00 41.96 39.69 1r4q s TYR 14 CO -0.10 0.12 0.16 -0.80 0.64 0.00 0.00 175.55 175.58 1r4q s ASN 15 N 0.71 5.64 0.50 4.32 0.01 -0.72 -5.00 114.94 120.39 1r4q s ASN 15 Ca 0.26 -0.09 0.29 0.00 -0.71 0.00 0.00 52.86 52.61 1r4q s ASN 15 Cb -0.15 -1.51 1.39 0.00 0.41 0.00 0.00 41.25 41.39 1r4q s ASN 15 CO 0.10 0.06 1.84 -0.78 -1.51 0.00 0.00 177.10 176.82 1r4q h ASP 16 N 2.36 0.12 -0.24 -1.22 1.82 -1.98 0.12 116.42 117.40 1r4q h ASP 16 Ca -0.48 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 1r4q h ASP 16 Cb 1.20 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.21 1r4q h ASP 16 CO 0.64 0.03 0.00 -0.90 -1.61 0.00 0.00 179.24 177.40 1r4q n ASP 17 N -4.33 1.33 0.00 2.28 5.68 -1.26 -4.89 116.55 115.36 1r4q n ASP 17 Ca 0.22 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 1r4q n ASP 17 Cb 1.00 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.82 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 0.21 -2.47 -4.91 -1.12 8.00 0.43 -5.03 116.55 111.66 1r4q n ASP 18 Ca 0.09 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.32 1r4q n ASP 18 Cb 0.21 -0.99 0.03 0.00 -0.02 0.00 0.00 41.12 40.35 1r4q n ASP 18 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1r4q s THR 19 N -2.28 3.88 -0.02 -3.53 -4.23 -1.25 -4.87 115.64 103.34 1r4q s THR 19 Ca 0.00 0.14 0.07 0.00 -1.18 0.00 0.00 61.69 60.72 1r4q s THR 19 Cb 0.00 -3.54 -0.02 0.00 1.34 0.00 0.00 72.50 70.28 1r4q s THR 19 CO 0.00 -0.58 -0.23 0.12 -0.54 0.00 0.00 174.62 173.38 1r4q s PHE 20 N -3.01 2.11 -0.05 3.99 5.36 0.05 -1.76 117.98 124.67 1r4q s PHE 20 Ca 0.53 -0.40 0.05 0.00 -0.96 0.00 0.00 56.93 56.16 1r4q s PHE 20 Cb -0.11 -1.36 -0.02 0.00 -0.34 0.00 0.00 43.02 41.20 1r4q s PHE 20 CO 0.46 -0.04 -0.20 0.99 -1.46 0.00 0.00 175.22 174.97 1r4q s THR 21 N -0.54 2.54 0.12 0.12 2.01 0.27 -1.05 115.64 119.10 1r4q s THR 21 Ca 0.09 -0.91 0.07 0.00 0.31 0.00 0.00 61.69 61.25 1r4q s THR 21 Cb -0.09 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 1r4q s THR 21 CO -0.01 0.58 -0.18 0.68 -0.69 0.00 0.00 174.62 175.00 1r4q s VAL 22 N -0.51 1.59 -0.30 3.82 -7.23 -0.69 -0.57 120.40 116.51 1r4q s VAL 22 Ca 0.07 -1.63 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 1r4q s VAL 22 Cb -0.11 -1.55 0.09 0.00 0.56 0.00 0.00 36.38 35.36 1r4q s VAL 22 CO 0.01 -0.21 0.04 -0.75 -0.31 0.00 0.00 175.10 173.88 1r4q s LYS 23 N -2.24 1.18 0.07 4.82 2.47 -0.63 -3.03 119.74 122.39 1r4q s LYS 23 Ca 0.08 -1.28 0.08 0.00 -1.56 0.00 0.00 55.97 53.28 1r4q s LYS 23 Cb -0.08 -2.52 -0.04 0.00 -1.46 0.00 0.00 37.83 33.73 1r4q s LYS 23 CO 0.04 -0.86 -0.18 0.08 0.16 0.00 0.00 175.35 174.59 1r4q s VAL 24 N 1.35 2.80 0.00 4.02 1.01 -1.15 -0.44 120.40 127.99 1r4q s VAL 24 Ca 0.06 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1r4q s VAL 24 Cb -0.18 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1r4q s VAL 24 CO -0.15 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1r4q n GLY 25 N 1.26 3.68 0.02 4.51 0.00 -1.26 -2.43 105.19 110.97 1r4q n GLY 25 Ca -0.16 0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 6.51 2.77 -4.82 1.61 5.75 -1.26 -5.01 116.55 122.10 1r4q n ASP 26 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.45 1r4q n ASP 26 Cb 0.00 1.16 -0.03 0.00 -1.03 0.00 0.00 41.12 41.22 1r4q n ASP 26 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1r4q s LYS 27 N -2.50 3.82 -0.50 0.11 -0.14 -1.02 -4.95 119.74 114.57 1r4q s LYS 27 Ca -0.04 1.14 0.03 0.00 -1.36 0.00 0.00 55.97 55.75 1r4q s LYS 27 Cb 0.05 -2.11 0.16 0.00 -1.68 0.00 0.00 37.83 34.25 1r4q s LYS 27 CO 0.39 -0.39 0.34 -2.00 -0.76 0.00 0.00 175.35 172.94 1r4q s GLU 28 N -3.69 1.42 0.53 1.68 2.12 -1.26 -2.92 118.70 116.59 1r4q s GLU 28 Ca 0.63 -2.37 0.02 0.00 0.36 0.00 0.00 54.97 53.61 1r4q s GLU 28 Cb -0.13 -2.23 0.03 0.00 0.26 0.00 0.00 34.13 32.06 1r4q s GLU 28 CO 0.26 -1.28 0.75 -0.51 -0.54 0.00 0.00 175.26 173.94 1r4q s LEU 29 N -0.20 3.33 0.00 2.70 1.43 -1.17 -1.45 118.68 123.32 1r4q s LEU 29 Ca 0.25 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1r4q s LEU 29 Cb -0.09 -2.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 1r4q s LEU 29 CO -0.12 -1.09 0.08 2.22 0.23 0.00 0.00 176.35 177.68 1r4q n PHE 30 N -2.27 0.09 -3.52 0.29 -1.74 -0.86 -1.71 117.46 107.74 1r4q n PHE 30 Ca 0.08 -1.42 -0.14 0.00 -0.56 0.00 0.00 57.45 55.42 1r4q n PHE 30 Cb 0.60 -0.01 -0.05 0.00 1.52 0.00 0.00 39.48 41.54 1r4q n PHE 30 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 1r4q s THR 31 N -2.36 0.00 -0.58 1.97 -1.32 -0.22 -0.66 115.64 112.48 1r4q s THR 31 Ca 0.11 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.64 1r4q s THR 31 Cb 0.01 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.09 1r4q s THR 31 CO 0.08 0.00 0.90 -0.46 -2.21 0.00 0.00 174.62 172.93 1r4q n ASN 32 N 0.54 1.96 -4.57 8.08 6.94 -1.26 -0.77 115.26 126.18 1r4q n ASN 32 Ca -0.15 -1.61 -0.42 0.00 -0.02 0.00 0.00 54.58 52.38 1r4q n ASN 32 Cb 0.59 -0.06 -0.03 0.00 -2.36 0.00 0.00 39.78 37.93 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 -0.73 3.37 0.47 -3.83 1.81 -1.26 -4.90 118.95 113.88 1r4q s ARG 33 Ca 0.09 0.07 0.32 0.00 -1.72 0.00 0.00 55.73 54.48 1r4q s ARG 33 Cb 0.05 -4.09 1.42 0.00 -0.45 0.00 0.00 34.95 31.88 1r4q s ARG 33 CO 0.07 -1.89 1.70 -1.49 -0.68 0.00 0.00 175.30 173.01 1r4q h TRP 34 N 9.86 0.35 -0.41 -0.53 4.06 -1.93 -1.15 115.95 126.22 1r4q h TRP 34 Ca -0.26 0.01 -0.00 0.00 2.06 0.00 0.00 58.89 60.70 1r4q h TRP 34 Cb 1.06 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 29.10 1r4q h TRP 34 CO 1.07 -0.06 0.25 -0.91 -3.56 0.00 0.00 178.44 175.24 1r4q h ASN 35 N 0.13 0.48 0.09 -3.49 2.35 -2.01 -2.83 115.58 110.30 1r4q h ASN 35 Ca 0.72 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.42 1r4q h ASN 35 Cb 2.39 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 40.64 1r4q h ASN 35 CO -0.23 0.38 0.00 0.18 -1.65 0.00 0.00 177.43 176.11 1r4q n LEU 36 N -4.78 0.00 0.36 1.61 4.77 -0.43 -3.85 117.00 114.69 1r4q n LEU 36 Ca 0.01 0.41 -0.15 0.00 -0.03 0.00 0.00 56.01 56.24 1r4q n LEU 36 Cb 0.04 -0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 40.66 1r4q n LEU 36 CO 0.35 -0.36 0.40 1.56 -1.33 0.00 0.00 177.39 178.01 1r4q h GLN 37 N 0.00 -0.92 -0.15 3.23 4.20 -1.62 -2.09 115.11 117.77 1r4q h GLN 37 Ca 0.00 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1r4q h GLN 37 Cb 0.04 0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1r4q h GLN 37 CO 0.00 -0.61 0.10 0.66 -0.67 0.00 0.00 178.83 178.30 1r4q h SER 38 N -1.20 0.17 -1.00 1.46 4.64 -1.80 -2.38 113.55 113.44 1r4q h SER 38 Ca -0.10 -0.01 0.15 0.00 -0.47 0.00 0.00 61.79 61.36 1r4q h SER 38 Cb 0.73 -0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 62.68 1r4q h SER 38 CO 0.16 0.13 0.62 -0.07 -0.87 0.00 0.00 176.83 176.80 1r4q h LEU 39 N 0.20 0.86 -0.22 5.97 3.38 -1.70 -0.55 115.31 123.25 1r4q h LEU 39 Ca 0.05 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1r4q h LEU 39 Cb -0.02 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1r4q h LEU 39 CO -0.01 0.39 -0.41 -0.07 0.09 0.00 0.00 178.44 178.43 1r4q h LEU 40 N 0.89 0.75 -1.11 1.67 3.38 -1.11 -2.48 115.31 117.30 1r4q h LEU 40 Ca 0.53 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1r4q h LEU 40 Cb 0.68 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1r4q h LEU 40 CO -0.31 1.15 0.09 0.25 0.09 0.00 0.00 178.44 179.70 1r4q h LEU 41 N 0.37 0.68 -0.83 1.67 5.85 -0.86 0.38 115.31 122.58 1r4q h LEU 41 Ca 0.01 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1r4q h LEU 41 Cb 1.01 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1r4q h LEU 41 CO 0.09 0.69 0.30 0.28 -0.34 0.00 0.00 178.44 179.46 1r4q h SER 42 N 0.70 1.08 -0.56 1.25 0.02 -1.04 -0.22 113.55 114.78 1r4q h SER 42 Ca 0.15 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 1r4q h SER 42 Cb 0.30 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1r4q h SER 42 CO 0.00 0.96 -0.01 0.00 -1.14 0.00 0.00 176.83 176.65 1r4q h ALA 43 N 1.19 0.89 0.00 3.77 0.00 -0.91 -1.92 119.26 122.28 1r4q h ALA 43 Ca 0.26 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1r4q h ALA 43 Cb 0.22 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1r4q h ALA 43 CO -0.02 0.65 -0.10 0.37 0.00 0.00 0.00 179.25 180.15 1r4q h GLN 44 N 0.93 0.00 0.08 0.00 4.15 -0.02 -2.05 115.11 118.19 1r4q h GLN 44 Ca 0.17 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.33 1r4q h GLN 44 Cb 0.55 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 1r4q h GLN 44 CO 0.03 0.10 -1.37 0.82 -1.93 0.00 0.00 178.83 176.48 1r4q h ILE 45 N 0.00 0.99 0.00 2.39 2.04 -0.31 -3.34 117.51 119.28 1r4q h ILE 45 Ca -0.00 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.53 1r4q h ILE 45 Cb 0.46 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 1r4q h ILE 45 CO 0.01 0.62 0.00 0.35 0.00 0.00 0.00 178.15 179.13 1r4q n THR 46 N -4.04 0.06 -0.95 -0.27 -2.24 -0.91 -4.93 114.28 101.01 1r4q n THR 46 Ca -0.27 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1r4q n THR 46 Cb 0.84 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 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 1.42 0.46 3.66 3.38 0.00 -0.95 -5.03 105.19 108.12 1r4q n GLY 47 Ca 0.07 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 1r4q n GLY 47 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1r4q n MET 48 N -2.95 0.44 -3.42 1.61 2.81 -0.81 -4.93 117.12 109.86 1r4q n MET 48 Ca 0.00 0.21 -0.38 0.00 -1.81 0.00 0.00 57.70 55.72 1r4q n MET 48 Cb 0.00 -2.35 -0.08 0.00 -0.71 0.00 0.00 33.22 30.08 1r4q n MET 48 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1r4q s THR 49 N -1.90 5.21 0.30 2.03 2.01 -1.19 -4.45 115.64 117.65 1r4q s THR 49 Ca 0.74 0.62 0.09 0.00 0.31 0.00 0.00 61.69 63.46 1r4q s THR 49 Cb -0.32 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1r4q s THR 49 CO 0.49 0.25 0.04 0.68 -0.69 0.00 0.00 174.62 175.39 1r4q s VAL 50 N 1.39 3.21 -0.03 3.82 -7.23 -0.79 -1.80 120.40 118.98 1r4q s VAL 50 Ca 0.17 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.51 1r4q s VAL 50 Cb -0.15 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 33.92 1r4q s VAL 50 CO 0.08 -0.30 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.57 1r4q s THR 51 N -2.38 0.96 -0.16 5.32 2.01 0.08 -2.10 115.64 119.38 1r4q s THR 51 Ca 0.34 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1r4q s THR 51 Cb -0.04 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.62 1r4q s THR 51 CO 0.21 0.29 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.64 1r4q s ILE 52 N 0.19 2.54 -0.30 1.82 1.01 -0.54 -1.27 121.20 124.66 1r4q s ILE 52 Ca -0.04 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 1r4q s ILE 52 Cb -0.10 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 1r4q s ILE 52 CO 0.01 0.52 0.16 -0.54 0.00 0.00 0.00 174.94 175.09 1r4q s LYS 53 N 0.90 3.53 0.11 2.79 1.02 -0.95 -0.90 119.74 126.24 1r4q s LYS 53 Ca -0.04 -0.59 -0.25 0.00 0.02 0.00 0.00 55.97 55.11 1r4q s LYS 53 Cb -0.15 -3.58 0.08 0.00 -0.52 0.00 0.00 37.83 33.65 1r4q s LYS 53 CO -0.02 -0.34 0.65 -0.08 -0.92 0.00 0.00 175.35 174.65 1r4q s THR 54 N 1.66 0.00 -0.16 2.17 -1.32 -0.95 -4.01 115.64 113.03 1r4q s THR 54 Ca 0.06 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.59 1r4q s THR 54 Cb -0.17 -1.00 -0.23 0.00 -1.51 0.00 0.00 72.50 69.60 1r4q s THR 54 CO 0.07 0.00 0.22 0.59 -2.21 0.00 0.00 174.62 173.29 1r4q n ASN 55 N -0.20 1.34 -1.79 8.08 5.03 -1.26 -4.06 115.26 122.39 1r4q n ASN 55 Ca -0.16 0.12 -0.02 0.00 0.87 0.00 0.00 54.58 55.39 1r4q n ASN 55 Cb 0.64 -0.16 -0.03 0.00 -1.02 0.00 0.00 39.78 39.21 1r4q n ASN 55 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1r4q n ALA 56 N -2.91 3.57 -0.40 5.41 0.00 -1.26 -4.76 120.51 120.16 1r4q n ALA 56 Ca -0.32 -0.32 -0.14 0.00 0.00 0.00 0.00 53.44 52.65 1r4q n ALA 56 Cb 1.06 -1.58 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 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 4.46 -0.11 -0.06 0.00 -3.43 -1.26 -5.07 115.29 109.83 1r4q s HIS 58 Ca 0.24 -0.05 -0.40 0.00 -0.80 0.00 0.00 55.06 54.05 1r4q s HIS 58 Cb 0.06 0.10 -0.18 0.00 -1.43 0.00 0.00 32.58 31.13 1r4q s HIS 58 CO 0.01 -0.52 1.30 0.09 -2.00 0.00 0.00 174.74 173.62 1r4q n ASN 59 N 0.50 0.97 0.00 7.38 4.13 -1.26 -0.28 115.26 126.70 1r4q n ASN 59 Ca -0.18 1.14 0.00 0.00 1.68 0.00 0.00 54.58 57.22 1r4q n ASN 59 Cb 0.60 -1.03 0.00 0.00 -1.54 0.00 0.00 39.78 37.80 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 2.45 1.32 3.82 7.41 0.00 -0.53 -4.96 105.19 114.70 1r4q n GLY 60 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.81 2.46 0.43 -0.02 0.00 0.61 -4.76 107.32 104.24 1r4q s GLY 61 Ca 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 44.72 44.99 1r4q s GLY 61 CO 0.00 0.60 0.70 -0.32 0.00 0.00 0.00 173.10 174.08 1r4q s GLY 62 N -2.07 1.47 0.12 0.20 0.00 -1.26 -2.02 107.32 103.76 1r4q s GLY 62 Ca 0.56 -0.63 -0.08 0.00 0.00 0.00 0.00 44.72 44.58 1r4q s GLY 62 CO 0.17 -0.50 0.20 -0.11 0.00 0.00 0.00 173.10 172.86 1r4q s PHE 63 N -2.57 0.35 0.00 1.90 -0.12 0.17 -4.54 117.98 113.17 1r4q s PHE 63 Ca 0.45 -0.75 0.00 0.00 -0.05 0.00 0.00 56.93 56.58 1r4q s PHE 63 Cb -0.10 -0.12 0.00 0.00 -0.63 0.00 0.00 43.02 42.17 1r4q s PHE 63 CO 0.41 -0.61 0.00 -1.13 -0.05 0.00 0.00 175.22 173.84 1r4q n SER 64 N -0.12 0.00 -4.72 1.98 3.41 -1.26 -4.45 113.62 108.46 1r4q n SER 64 Ca -0.11 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.15 1r4q n SER 64 Cb 0.63 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.50 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 4.19 0.01 4.33 2.02 -1.26 -5.06 118.70 122.94 1r4q s GLU 65 Ca 0.00 -0.16 0.01 0.00 0.02 0.00 0.00 54.97 54.84 1r4q s GLU 65 Cb 0.00 -3.43 -0.01 0.00 0.10 0.00 0.00 34.13 30.79 1r4q s GLU 65 CO 0.00 0.26 -0.05 0.08 0.02 0.00 0.00 175.26 175.58 1r4q s VAL 66 N 0.45 0.33 -0.12 2.63 1.01 -1.26 -2.23 120.40 121.20 1r4q s VAL 66 Ca 0.10 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1r4q s VAL 66 Cb -0.12 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.94 1r4q s VAL 66 CO -0.00 -0.12 -0.15 -0.63 0.00 0.00 0.00 175.10 174.19 1r4q s ILE 67 N -0.62 1.56 -0.35 2.22 1.01 -0.39 -4.98 121.20 119.64 1r4q s ILE 67 Ca -0.04 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.82 1r4q s ILE 67 Cb -0.05 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 1r4q s ILE 67 CO -0.00 0.45 0.24 -0.36 0.00 0.00 0.00 174.94 175.27 1r4q s PHE 68 N 1.12 3.23 -1.83 3.97 0.08 -1.26 -0.75 117.98 122.53 1r4q s PHE 68 Ca -0.03 -0.36 0.15 0.00 0.12 0.00 0.00 56.93 56.80 1r4q s PHE 68 Cb -0.14 -2.48 0.12 0.00 -0.57 0.00 0.00 43.02 39.94 1r4q s PHE 68 CO -0.04 -0.43 0.96 0.54 -0.10 0.00 0.00 175.22 176.15