#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 3.68 0.11 -2.82 0.04 -1.26 -4.86 135.00 129.88 1r4q s PRO 2 Ca 0.00 0.48 -0.31 0.00 0.04 0.00 0.00 61.00 61.21 1r4q s PRO 2 Cb 0.00 -2.30 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 1r4q s PRO 2 CO 0.00 -0.22 1.28 -0.51 0.04 0.00 0.00 177.00 177.59 1r4q s ASP 3 N -3.66 6.97 -0.06 6.66 1.11 -1.26 -2.03 116.67 124.41 1r4q s ASP 3 Ca 0.51 2.19 -0.06 0.00 0.18 0.00 0.00 52.55 55.37 1r4q s ASP 3 Cb -0.10 -2.59 -0.02 0.00 1.07 0.00 0.00 42.92 41.28 1r4q s ASP 3 CO 0.40 -0.53 -0.11 0.00 1.18 0.00 0.00 175.17 176.11 1r4q s VAL 5 N -1.65 0.40 -0.03 0.00 0.11 -1.17 -5.01 120.40 113.05 1r4q s VAL 5 Ca -0.09 -1.12 0.02 0.00 -2.93 0.00 0.00 61.98 57.86 1r4q s VAL 5 Cb 0.01 -0.62 0.01 0.00 -1.53 0.00 0.00 36.38 34.26 1r4q s VAL 5 CO 0.14 -0.48 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.45 1r4q s THR 6 N -1.68 0.79 -3.53 5.04 2.01 -1.26 -1.60 115.64 115.41 1r4q s THR 6 Ca -0.10 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.57 1r4q s THR 6 Cb -0.08 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.71 1r4q s THR 6 CO -0.01 0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 1r4q n GLY 7 N 3.49 -0.83 3.92 4.40 0.00 -0.73 -4.78 105.19 110.66 1r4q n GLY 7 Ca -0.20 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.41 3.17 -0.47 1.61 1.02 -1.26 0.25 119.74 122.64 1r4q s LYS 8 Ca 0.00 -0.06 -0.25 0.00 0.02 0.00 0.00 55.97 55.68 1r4q s LYS 8 Cb 0.00 -2.39 0.03 0.00 -0.52 0.00 0.00 37.83 34.95 1r4q s LYS 8 CO 0.00 -0.41 0.92 0.08 -0.92 0.00 0.00 175.35 175.02 1r4q s VAL 9 N -2.79 4.47 0.18 3.17 1.01 -1.26 -4.39 120.40 120.79 1r4q s VAL 9 Ca 0.50 0.67 -0.12 0.00 0.00 0.00 0.00 61.98 63.04 1r4q s VAL 9 Cb -0.10 -4.44 0.10 0.00 0.00 0.00 0.00 36.38 31.93 1r4q s VAL 9 CO 0.43 -0.87 1.79 -0.08 0.00 0.00 0.00 175.10 176.37 1r4q h GLU 10 N 9.11 0.91 -1.73 2.72 4.81 -0.54 -3.47 114.58 126.39 1r4q h GLU 10 Ca -0.24 -0.12 0.20 0.00 -0.13 0.00 0.00 59.36 59.07 1r4q h GLU 10 Cb 1.08 -0.17 -0.18 0.00 0.63 0.00 0.00 28.75 30.11 1r4q h GLU 10 CO 1.03 0.70 0.71 1.52 -0.73 0.00 0.00 179.01 182.24 1r4q s TYR 11 N -5.78 -0.20 0.14 0.92 -0.85 -1.25 -5.00 117.35 105.32 1r4q s TYR 11 Ca -0.13 0.13 0.10 0.00 -0.52 0.00 0.00 57.07 56.65 1r4q s TYR 11 Cb 0.13 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.96 1r4q s TYR 11 CO 0.79 -0.31 -0.22 0.95 -1.52 0.00 0.00 175.55 175.23 1r4q s THR 12 N -2.59 1.99 -0.03 -3.49 -4.23 -1.26 -2.25 115.64 103.77 1r4q s THR 12 Ca 0.08 -1.76 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1r4q s THR 12 Cb -0.01 -1.83 0.01 0.00 1.34 0.00 0.00 72.50 72.01 1r4q s THR 12 CO -0.06 -0.09 -0.09 -0.75 -0.54 0.00 0.00 174.62 173.10 1r4q s LYS 13 N -2.27 1.02 -0.23 3.99 2.20 -0.49 -4.98 119.74 118.98 1r4q s LYS 13 Ca 0.13 -0.29 -0.14 0.00 -0.36 0.00 0.00 55.97 55.31 1r4q s LYS 13 Cb -0.09 -0.94 -0.04 0.00 -1.51 0.00 0.00 37.83 35.25 1r4q s LYS 13 CO 0.06 0.08 0.33 -0.47 -0.36 0.00 0.00 175.35 174.99 1r4q s TYR 14 N 0.34 3.32 0.35 4.03 6.14 -1.26 -0.71 117.35 129.56 1r4q s TYR 14 Ca -0.06 0.46 -0.04 0.00 0.64 0.00 0.00 57.07 58.08 1r4q s TYR 14 Cb -0.10 -2.48 -0.04 0.00 0.42 0.00 0.00 41.96 39.76 1r4q s TYR 14 CO 0.01 -0.06 0.61 -0.80 0.64 0.00 0.00 175.55 175.95 1r4q s ASN 15 N 1.24 6.37 0.44 4.32 0.01 -0.03 -4.98 114.94 122.31 1r4q s ASN 15 Ca 0.15 0.70 0.12 0.00 -0.71 0.00 0.00 52.86 53.12 1r4q s ASN 15 Cb -0.15 -2.14 1.02 0.00 0.41 0.00 0.00 41.25 40.39 1r4q s ASN 15 CO 0.08 -0.31 2.04 -0.78 -1.51 0.00 0.00 177.10 176.62 1r4q h ASP 16 N 1.08 0.33 -0.30 -1.22 3.58 -1.98 -1.94 116.42 115.98 1r4q h ASP 16 Ca -0.48 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1r4q h ASP 16 Cb 1.20 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.18 1r4q h ASP 16 CO 0.64 0.22 0.00 -0.90 -2.88 0.00 0.00 179.24 176.32 1r4q n ASP 17 N -4.48 3.08 0.00 2.28 5.68 -1.26 -4.90 116.55 116.95 1r4q n ASP 17 Ca 0.05 -2.37 0.00 0.00 -0.50 0.00 0.00 54.79 51.96 1r4q n ASP 17 Cb 0.20 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 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 0.35 -3.57 -4.93 -1.12 8.00 -0.73 -5.02 116.55 109.53 1r4q n ASP 18 Ca 0.13 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.36 1r4q n ASP 18 Cb 0.64 -1.31 -0.03 0.00 -0.02 0.00 0.00 41.12 40.40 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 -1.82 5.24 -0.10 -3.53 -4.23 -1.26 -4.89 115.64 105.04 1r4q s THR 19 Ca 0.00 -0.45 -0.02 0.00 -1.18 0.00 0.00 61.69 60.04 1r4q s THR 19 Cb 0.00 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.07 1r4q s THR 19 CO 0.00 -0.14 -0.00 0.12 -0.54 0.00 0.00 174.62 174.05 1r4q s PHE 20 N -1.83 3.13 0.12 3.99 5.36 -0.72 -0.85 117.98 127.19 1r4q s PHE 20 Ca 0.37 0.10 0.10 0.00 -0.96 0.00 0.00 56.93 56.54 1r4q s PHE 20 Cb -0.11 -1.83 -0.04 0.00 -0.34 0.00 0.00 43.02 40.70 1r4q s PHE 20 CO 0.29 0.36 -0.22 0.99 -1.46 0.00 0.00 175.22 175.18 1r4q s THR 21 N -0.60 2.59 0.08 0.12 2.01 0.11 -0.48 115.64 119.48 1r4q s THR 21 Ca 0.10 -1.61 0.02 0.00 0.31 0.00 0.00 61.69 60.51 1r4q s THR 21 Cb -0.12 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 1r4q s THR 21 CO 0.02 0.10 -0.06 0.68 -0.69 0.00 0.00 174.62 174.67 1r4q s VAL 22 N -1.10 0.61 -0.24 3.82 -7.23 0.56 -1.40 120.40 115.42 1r4q s VAL 22 Ca 0.16 -1.74 0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1r4q s VAL 22 Cb -0.10 -1.43 0.06 0.00 0.56 0.00 0.00 36.38 35.47 1r4q s VAL 22 CO 0.08 -0.78 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.30 1r4q s LYS 23 N -3.36 1.53 -0.28 4.82 2.36 -0.95 -1.92 119.74 121.94 1r4q s LYS 23 Ca 0.07 -1.00 0.02 0.00 -2.55 0.00 0.00 55.97 52.50 1r4q s LYS 23 Cb 0.02 -2.56 0.08 0.00 -1.05 0.00 0.00 37.83 34.31 1r4q s LYS 23 CO -0.04 -0.63 -0.02 0.08 1.55 0.00 0.00 175.35 176.29 1r4q s VAL 24 N 1.41 1.79 0.00 4.02 1.01 -1.12 0.31 120.40 127.82 1r4q s VAL 24 Ca -0.04 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.30 1r4q s VAL 24 Cb -0.19 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1r4q s VAL 24 CO -0.07 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.35 1r4q n GLY 25 N 4.53 0.88 0.08 4.51 0.00 -1.26 -3.46 105.19 110.46 1r4q n GLY 25 Ca -0.07 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 6.07 0.57 -4.82 1.61 5.75 -1.26 -4.92 116.55 119.56 1r4q n ASP 26 Ca 0.00 -0.37 -0.30 0.00 -0.01 0.00 0.00 54.79 54.11 1r4q n ASP 26 Cb 0.00 0.10 -0.06 0.00 -1.03 0.00 0.00 41.12 40.13 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 -2.81 3.04 -0.27 0.11 3.01 -1.22 -4.87 119.74 116.72 1r4q s LYS 27 Ca 0.17 -0.64 0.03 0.00 -1.01 0.00 0.00 55.97 54.51 1r4q s LYS 27 Cb 0.18 -2.80 0.06 0.00 -1.01 0.00 0.00 37.83 34.27 1r4q s LYS 27 CO 0.61 0.57 -0.08 -2.00 0.51 0.00 0.00 175.35 174.95 1r4q s GLU 28 N -2.51 2.06 0.14 1.68 2.12 -1.26 -2.79 118.70 118.14 1r4q s GLU 28 Ca 0.31 -1.36 0.10 0.00 0.36 0.00 0.00 54.97 54.38 1r4q s GLU 28 Cb -0.12 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 1r4q s GLU 28 CO 0.24 -0.62 -0.25 -0.51 -0.54 0.00 0.00 175.26 173.58 1r4q s LEU 29 N 1.12 2.34 0.21 2.70 1.43 -0.81 -0.14 118.68 125.53 1r4q s LEU 29 Ca -0.06 -0.76 0.08 0.00 -1.03 0.00 0.00 54.13 52.35 1r4q s LEU 29 Cb -0.20 -1.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.85 1r4q s LEU 29 CO -0.06 0.14 -0.13 0.72 0.23 0.00 0.00 176.35 177.25 1r4q s PHE 30 N -1.22 1.73 0.00 0.29 -0.12 -0.89 -0.32 117.98 117.45 1r4q s PHE 30 Ca 0.14 -0.59 0.00 0.00 -0.05 0.00 0.00 56.93 56.43 1r4q s PHE 30 Cb -0.09 -0.83 -0.00 0.00 -0.63 0.00 0.00 43.02 41.46 1r4q s PHE 30 CO 0.06 0.35 -0.01 -0.08 -0.05 0.00 0.00 175.22 175.49 1r4q s THR 31 N -2.98 0.09 -0.34 -4.49 -1.32 0.37 -1.20 115.64 105.77 1r4q s THR 31 Ca 0.23 -0.17 0.07 0.00 -1.21 0.00 0.00 61.69 60.62 1r4q s THR 31 Cb -0.00 -0.11 0.49 0.00 -1.51 0.00 0.00 72.50 71.38 1r4q s THR 31 CO 0.07 -0.05 1.48 -0.46 -2.21 0.00 0.00 174.62 173.46 1r4q n ASN 32 N 2.85 3.55 -4.48 8.08 2.04 -1.26 -1.75 115.26 124.29 1r4q n ASN 32 Ca -0.14 -3.79 -0.43 0.00 -0.44 0.00 0.00 54.58 49.78 1r4q n ASN 32 Cb 0.59 -0.62 -0.08 0.00 -2.53 0.00 0.00 39.78 37.14 1r4q n ASN 32 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1r4q s ARG 33 N -3.39 3.14 0.10 -3.83 1.81 -1.26 -4.99 118.95 110.53 1r4q s ARG 33 Ca 0.48 -0.69 -0.28 0.00 -1.72 0.00 0.00 55.73 53.53 1r4q s ARG 33 Cb 0.42 -3.99 -0.11 0.00 -0.45 0.00 0.00 34.95 30.83 1r4q s ARG 33 CO 0.00 -0.95 1.65 -1.49 -0.68 0.00 0.00 175.30 173.83 1r4q h TRP 34 N 8.80 -0.64 0.00 -0.53 4.06 -1.93 -2.65 115.95 123.06 1r4q h TRP 34 Ca -0.26 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.69 1r4q h TRP 34 Cb 1.10 0.26 0.00 0.00 -1.00 0.00 0.00 29.16 29.52 1r4q h TRP 34 CO 0.67 -0.35 0.00 0.27 -3.56 0.00 0.00 178.44 175.46 1r4q n ASN 35 N -5.36 0.00 0.09 -3.49 6.94 -1.26 -1.43 115.26 110.74 1r4q n ASN 35 Ca -0.08 -0.20 0.11 0.00 -0.02 0.00 0.00 54.58 54.40 1r4q n ASN 35 Cb 0.27 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.68 1r4q n ASN 35 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1r4q n LEU 36 N -0.82 0.75 -0.35 -4.53 4.77 -1.00 -4.25 117.00 111.57 1r4q n LEU 36 Ca 0.02 0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 56.27 1r4q n LEU 36 Cb 0.01 -0.06 0.12 0.00 -2.33 0.00 0.00 43.42 41.16 1r4q n LEU 36 CO 0.02 -0.16 1.26 1.56 -1.33 0.00 0.00 177.39 178.74 1r4q h GLN 37 N 0.00 1.18 -0.15 3.23 4.20 -1.40 -1.38 115.11 120.79 1r4q h GLN 37 Ca 0.00 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 1r4q h GLN 37 Cb 0.99 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 1r4q h GLN 37 CO 0.00 0.78 -0.19 0.77 -0.67 0.00 0.00 178.83 179.52 1r4q h SER 38 N 1.21 0.42 -0.48 1.46 0.02 -1.79 -2.80 113.55 111.58 1r4q h SER 38 Ca 0.37 -0.51 0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1r4q h SER 38 Cb -0.03 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 1r4q h SER 38 CO -0.11 0.85 0.25 -0.07 -1.14 0.00 0.00 176.83 176.61 1r4q h LEU 39 N 0.01 0.37 -0.74 5.07 3.38 -1.70 -2.38 115.31 119.32 1r4q h LEU 39 Ca 0.02 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1r4q h LEU 39 Cb 0.74 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1r4q h LEU 39 CO 0.05 0.26 -0.23 -0.07 0.09 0.00 0.00 178.44 178.53 1r4q h LEU 40 N 0.49 0.72 -1.08 1.67 3.38 -1.28 -1.45 115.31 117.75 1r4q h LEU 40 Ca 0.21 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1r4q h LEU 40 Cb 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1r4q h LEU 40 CO -0.14 0.93 -0.45 0.25 0.09 0.00 0.00 178.44 179.13 1r4q h LEU 41 N 0.62 0.00 -0.14 1.67 5.85 -1.37 0.91 115.31 122.85 1r4q h LEU 41 Ca 0.09 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.58 1r4q h LEU 41 Cb 0.73 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1r4q h LEU 41 CO 0.06 0.45 -0.98 0.28 -0.34 0.00 0.00 178.44 177.90 1r4q h SER 42 N 0.00 0.38 -0.56 1.25 0.02 -1.10 -0.80 113.55 112.73 1r4q h SER 42 Ca -0.00 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 1r4q h SER 42 Cb 0.82 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1r4q h SER 42 CO 0.06 1.16 0.31 0.00 -1.14 0.00 0.00 176.83 177.22 1r4q h ALA 43 N 0.81 0.72 0.52 3.77 0.00 -0.91 -0.76 119.26 123.41 1r4q h ALA 43 Ca -0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1r4q h ALA 43 Cb 1.64 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1r4q h ALA 43 CO 0.16 0.24 -0.34 0.37 0.00 0.00 0.00 179.25 179.68 1r4q h GLN 44 N 0.76 -0.79 -0.36 0.00 4.15 -0.64 -1.27 115.11 116.95 1r4q h GLN 44 Ca 0.20 0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.72 1r4q h GLN 44 Cb 0.04 0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 1r4q h GLN 44 CO -0.03 -0.53 0.10 0.82 -1.93 0.00 0.00 178.83 177.26 1r4q h ILE 45 N -0.82 0.85 -0.14 2.39 2.04 -0.99 -2.48 117.51 118.36 1r4q h ILE 45 Ca -0.06 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1r4q h ILE 45 Cb 0.68 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1r4q h ILE 45 CO 0.05 0.04 0.00 0.35 0.00 0.00 0.00 178.15 178.59 1r4q n THR 46 N -5.06 0.18 -2.23 -0.27 -2.24 -0.31 -4.92 114.28 99.44 1r4q n THR 46 Ca 0.02 -0.22 -0.19 0.00 -2.27 0.00 0.00 64.05 61.39 1r4q n THR 46 Cb 0.15 0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.89 -0.06 3.65 3.38 0.00 -0.58 -4.98 105.19 107.49 1r4q n GLY 47 Ca 0.11 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.73 0.53 -0.22 1.61 -1.94 -0.61 -4.97 119.30 108.97 1r4q s MET 48 Ca 0.00 0.82 -0.07 0.00 -1.71 0.00 0.00 55.69 54.73 1r4q s MET 48 Cb 0.00 -1.73 -0.03 0.00 2.01 0.00 0.00 34.83 35.08 1r4q s MET 48 CO 0.00 -2.74 0.06 0.99 -0.01 0.00 0.00 175.02 173.32 1r4q s THR 49 N -2.81 4.42 0.14 2.05 2.01 -0.31 -4.35 115.64 116.79 1r4q s THR 49 Ca 0.65 -0.15 0.08 0.00 0.31 0.00 0.00 61.69 62.59 1r4q s THR 49 Cb -0.20 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 1r4q s THR 49 CO 0.59 0.38 -0.10 0.68 -0.69 0.00 0.00 174.62 175.48 1r4q s VAL 50 N 1.17 3.27 -0.23 3.82 -7.23 0.14 -0.17 120.40 121.17 1r4q s VAL 50 Ca 0.04 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 1r4q s VAL 50 Cb -0.14 -2.57 0.05 0.00 0.56 0.00 0.00 36.38 34.28 1r4q s VAL 50 CO 0.03 0.01 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.85 1r4q s THR 51 N -1.42 1.76 -0.15 5.32 2.01 -0.46 -1.78 115.64 120.93 1r4q s THR 51 Ca 0.23 -1.26 -0.24 0.00 0.31 0.00 0.00 61.69 60.73 1r4q s THR 51 Cb -0.10 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 1r4q s THR 51 CO 0.14 0.03 0.75 -0.63 -0.69 0.00 0.00 174.62 174.22 1r4q s ILE 52 N 1.31 4.96 -0.22 1.82 -1.09 -0.62 -1.45 121.20 125.91 1r4q s ILE 52 Ca -0.05 1.49 -0.06 0.00 -2.23 0.00 0.00 60.65 59.80 1r4q s ILE 52 Cb -0.18 -4.07 -0.03 0.00 -1.58 0.00 0.00 42.46 36.60 1r4q s ILE 52 CO -0.07 0.11 0.03 -0.54 -1.23 0.00 0.00 174.94 173.24 1r4q s LYS 53 N 1.73 3.65 -0.22 2.79 1.02 -0.44 -1.40 119.74 126.88 1r4q s LYS 53 Ca 0.36 -0.49 -0.29 0.00 0.02 0.00 0.00 55.97 55.57 1r4q s LYS 53 Cb -0.17 -3.18 0.15 0.00 -0.52 0.00 0.00 37.83 34.11 1r4q s LYS 53 CO 0.14 -0.05 1.13 -0.08 -0.92 0.00 0.00 175.35 175.56 1r4q s THR 54 N 1.20 0.00 -0.45 2.17 -1.32 -0.86 -3.94 115.64 112.43 1r4q s THR 54 Ca 0.04 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.75 1r4q s THR 54 Cb -0.14 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.10 1r4q s THR 54 CO 0.02 0.00 1.51 0.78 -2.21 0.00 0.00 174.62 174.72 1r4q h ASN 55 N 2.62 0.00 -0.43 8.08 4.21 -1.87 -3.30 115.58 124.89 1r4q h ASN 55 Ca -0.17 -0.01 -0.28 0.00 1.21 0.00 0.00 56.30 57.05 1r4q h ASN 55 Cb 1.17 0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 38.26 1r4q h ASN 55 CO 0.26 0.01 0.33 0.00 -1.29 0.00 0.00 177.43 176.73 1r4q n ALA 56 N -2.05 5.05 -1.87 -0.83 0.00 -1.26 -4.89 120.51 114.65 1r4q n ALA 56 Ca 0.03 -1.48 -0.29 0.00 0.00 0.00 0.00 53.44 51.71 1r4q n ALA 56 Cb 0.51 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 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 11.05 -0.31 -0.10 0.00 -3.43 -1.26 -5.05 115.29 116.19 1r4q s HIS 58 Ca 0.69 0.16 -0.37 0.00 -0.80 0.00 0.00 55.06 54.73 1r4q s HIS 58 Cb 0.01 0.55 -0.15 0.00 -1.43 0.00 0.00 32.58 31.56 1r4q s HIS 58 CO 0.15 -0.55 1.67 0.09 -2.00 0.00 0.00 174.74 174.09 1r4q n ASN 59 N -0.26 2.57 0.00 7.38 5.03 -1.26 -0.48 115.26 128.23 1r4q n ASN 59 Ca -0.08 1.06 0.00 0.00 0.87 0.00 0.00 54.58 56.43 1r4q n ASN 59 Cb 0.61 -1.24 0.00 0.00 -1.02 0.00 0.00 39.78 38.13 1r4q n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1r4q n GLY 60 N 3.78 0.75 3.80 7.41 0.00 0.80 -4.96 105.19 116.77 1r4q n GLY 60 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.48 2.41 0.54 -0.02 0.00 0.37 -4.76 107.32 104.38 1r4q s GLY 61 Ca 0.00 0.56 -0.04 0.00 0.00 0.00 0.00 44.72 45.24 1r4q s GLY 61 CO 0.00 0.88 0.82 -0.32 0.00 0.00 0.00 173.10 174.48 1r4q s GLY 62 N -2.20 1.60 0.10 0.20 0.00 -1.26 -2.11 107.32 103.65 1r4q s GLY 62 Ca 0.67 -0.85 -0.18 0.00 0.00 0.00 0.00 44.72 44.36 1r4q s GLY 62 CO 0.25 -0.60 0.44 -0.11 0.00 0.00 0.00 173.10 173.08 1r4q s PHE 63 N -2.84 -0.28 0.00 1.90 -0.12 -0.34 -4.63 117.98 111.67 1r4q s PHE 63 Ca 0.52 0.09 0.00 0.00 -0.05 0.00 0.00 56.93 57.50 1r4q s PHE 63 Cb -0.10 0.29 0.00 0.00 -0.63 0.00 0.00 43.02 42.57 1r4q s PHE 63 CO 0.42 -0.67 0.33 0.43 -0.05 0.00 0.00 175.22 175.69 1r4q n SER 64 N 0.03 0.00 -3.98 1.98 7.64 -1.26 -4.44 113.62 113.60 1r4q n SER 64 Ca -0.17 -1.00 -0.22 0.00 1.01 0.00 0.00 58.87 58.49 1r4q n SER 64 Cb 0.62 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.66 1r4q n SER 64 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1r4q s GLU 65 N 0.00 1.28 0.04 1.43 2.02 -1.25 -5.07 118.70 117.14 1r4q s GLU 65 Ca 0.00 -0.29 -0.02 0.00 0.02 0.00 0.00 54.97 54.68 1r4q s GLU 65 Cb 0.00 -1.13 -0.02 0.00 0.10 0.00 0.00 34.13 33.08 1r4q s GLU 65 CO 0.00 0.01 0.00 0.08 0.02 0.00 0.00 175.26 175.37 1r4q s VAL 66 N 0.67 0.16 -0.12 2.63 1.01 -1.26 -1.32 120.40 122.16 1r4q s VAL 66 Ca -0.12 -1.28 0.01 0.00 0.00 0.00 0.00 61.98 60.59 1r4q s VAL 66 Cb -0.14 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1r4q s VAL 66 CO 0.02 -0.71 -0.15 -0.63 0.00 0.00 0.00 175.10 173.63 1r4q s ILE 67 N -2.64 1.53 -0.24 2.22 1.01 -0.53 -4.92 121.20 117.62 1r4q s ILE 67 Ca -0.05 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 59.83 1r4q s ILE 67 Cb -0.01 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1r4q s ILE 67 CO -0.05 0.45 0.27 -0.36 0.00 0.00 0.00 174.94 175.24 1r4q s PHE 68 N 1.15 3.30 0.00 3.97 0.08 -1.26 -1.35 117.98 123.87 1r4q s PHE 68 Ca -0.03 0.34 0.00 0.00 0.12 0.00 0.00 56.93 57.37 1r4q s PHE 68 Cb -0.14 -2.41 0.00 0.00 -0.57 0.00 0.00 43.02 39.90 1r4q s PHE 68 CO -0.05 -0.04 0.18 -2.13 -0.10 0.00 0.00 175.22 173.08