#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 3.72 0.58 -2.82 0.04 -1.26 -4.89 135.00 130.36 1r4q s PRO 2 Ca 0.00 0.21 -0.20 0.00 0.04 0.00 0.00 61.00 61.05 1r4q s PRO 2 Cb 0.00 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 1r4q s PRO 2 CO 0.00 0.16 1.30 -0.51 0.04 0.00 0.00 177.00 177.99 1r4q s ASP 3 N -2.98 5.10 0.08 6.66 1.11 -1.26 -2.04 116.67 123.34 1r4q s ASP 3 Ca 0.47 2.64 0.00 0.00 0.18 0.00 0.00 52.55 55.84 1r4q s ASP 3 Cb -0.11 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.26 1r4q s ASP 3 CO 0.28 -1.67 0.00 0.00 1.18 0.00 0.00 175.17 174.96 1r4q s VAL 5 N -1.71 0.19 -0.07 0.00 0.11 -1.19 -5.01 120.40 112.72 1r4q s VAL 5 Ca 0.00 -1.54 -0.06 0.00 -2.93 0.00 0.00 61.98 57.44 1r4q s VAL 5 Cb 0.00 -1.18 0.02 0.00 -1.53 0.00 0.00 36.38 33.69 1r4q s VAL 5 CO 0.00 -0.85 0.18 -0.89 -3.33 0.00 0.00 175.10 170.21 1r4q s THR 6 N -3.25 0.00 -5.00 5.04 2.01 -1.26 -1.68 115.64 111.50 1r4q s THR 6 Ca 0.01 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1r4q s THR 6 Cb 0.03 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.27 1r4q s THR 6 CO -0.08 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.45 1r4q n GLY 7 N 2.92 -1.07 3.91 4.40 0.00 -0.99 -4.46 105.19 109.90 1r4q n GLY 7 Ca -0.13 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.98 1.84 -0.53 1.61 1.02 -1.26 -1.54 119.74 118.89 1r4q s LYS 8 Ca 0.00 0.03 -0.20 0.00 0.02 0.00 0.00 55.97 55.82 1r4q s LYS 8 Cb 0.00 -1.95 0.06 0.00 -0.52 0.00 0.00 37.83 35.42 1r4q s LYS 8 CO 0.00 -1.66 0.71 0.08 -0.92 0.00 0.00 175.35 173.56 1r4q s VAL 9 N -3.59 4.75 0.08 3.17 1.01 -1.26 -4.43 120.40 120.14 1r4q s VAL 9 Ca 0.63 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 1r4q s VAL 9 Cb -0.10 -4.39 -0.16 0.00 0.00 0.00 0.00 36.38 31.73 1r4q s VAL 9 CO 0.49 -0.94 1.66 -0.33 0.00 0.00 0.00 175.10 175.98 1r4q h GLU 10 N 9.11 -0.58 -2.86 2.72 5.08 -1.32 -3.46 114.58 123.27 1r4q h GLU 10 Ca -0.28 0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.04 1r4q h GLU 10 Cb 1.09 0.13 -0.18 0.00 0.50 0.00 0.00 28.75 30.29 1r4q h GLU 10 CO 1.02 -0.38 -0.11 1.52 -1.00 0.00 0.00 179.01 180.06 1r4q s TYR 11 N -6.09 -0.31 -0.03 4.33 -0.85 -1.24 -4.99 117.35 108.18 1r4q s TYR 11 Ca -0.16 0.38 0.05 0.00 -0.52 0.00 0.00 57.07 56.83 1r4q s TYR 11 Cb 0.05 0.22 -0.01 0.00 0.38 0.00 0.00 41.96 42.60 1r4q s TYR 11 CO 0.64 -0.53 -0.18 0.95 -1.52 0.00 0.00 175.55 174.91 1r4q s THR 12 N -1.94 1.47 -0.23 -3.49 -4.23 -1.26 -1.12 115.64 104.85 1r4q s THR 12 Ca -0.09 -0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.64 1r4q s THR 12 Cb -0.02 -1.24 0.06 0.00 1.34 0.00 0.00 72.50 72.64 1r4q s THR 12 CO 0.02 0.42 -0.01 -1.59 -0.54 0.00 0.00 174.62 172.92 1r4q s LYS 13 N -0.26 1.17 -0.74 3.99 -2.85 -0.43 -5.00 119.74 115.62 1r4q s LYS 13 Ca 0.03 -0.79 -0.26 0.00 -1.00 0.00 0.00 55.97 53.95 1r4q s LYS 13 Cb -0.09 -2.37 -0.03 0.00 -2.06 0.00 0.00 37.83 33.28 1r4q s LYS 13 CO 0.00 -0.65 1.87 -0.47 0.10 0.00 0.00 175.35 176.20 1r4q s TYR 14 N 1.58 1.76 1.21 1.78 6.14 -1.26 -2.98 117.35 125.58 1r4q s TYR 14 Ca -0.02 0.66 -0.17 0.00 0.64 0.00 0.00 57.07 58.18 1r4q s TYR 14 Cb -0.18 -4.10 0.29 0.00 0.42 0.00 0.00 41.96 38.39 1r4q s TYR 14 CO -0.08 -2.07 1.03 -0.80 0.64 0.00 0.00 175.55 174.27 1r4q s ASN 15 N 7.88 0.69 -0.15 4.32 0.01 -1.10 -5.01 114.94 121.58 1r4q s ASN 15 Ca 0.67 1.07 -0.26 0.00 -0.71 0.00 0.00 52.86 53.63 1r4q s ASN 15 Cb -0.10 -1.62 -0.25 0.00 0.41 0.00 0.00 41.25 39.70 1r4q s ASN 15 CO 0.11 -4.32 0.64 -0.78 -1.51 0.00 0.00 177.10 171.24 1r4q h ASP 16 N -2.71 0.05 -1.28 -1.22 3.58 -1.92 -3.32 116.42 109.60 1r4q h ASP 16 Ca -0.53 -0.87 0.37 0.00 0.42 0.00 0.00 57.03 56.42 1r4q h ASP 16 Cb 1.33 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 42.31 1r4q h ASP 16 CO 0.43 1.17 0.92 -2.24 -2.88 0.00 0.00 179.24 176.64 1r4q h ASP 17 N -0.92 0.00 0.00 2.28 3.04 -2.03 -3.44 116.42 115.35 1r4q h ASP 17 Ca -0.11 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.68 1r4q h ASP 17 Cb 1.15 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.44 1r4q h ASP 17 CO -0.04 0.00 0.00 0.47 -2.04 0.00 0.00 179.24 177.63 1r4q n ASP 18 N -4.15 0.00 -4.77 4.15 8.00 -1.25 -5.13 116.55 113.40 1r4q n ASP 18 Ca 0.28 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.40 1r4q n ASP 18 Cb 1.34 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 42.41 1r4q n ASP 18 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1r4q s THR 19 N -2.00 3.31 -0.02 -3.53 -1.32 -1.26 -4.83 115.64 105.99 1r4q s THR 19 Ca 0.00 1.03 -0.02 0.00 -1.21 0.00 0.00 61.69 61.49 1r4q s THR 19 Cb 0.00 -3.55 -0.04 0.00 -1.51 0.00 0.00 72.50 67.40 1r4q s THR 19 CO 0.00 0.03 0.13 0.12 -2.21 0.00 0.00 174.62 172.70 1r4q s PHE 20 N -1.53 3.44 -0.02 9.09 5.36 -1.22 -2.71 117.98 130.38 1r4q s PHE 20 Ca 0.59 0.31 0.02 0.00 -0.96 0.00 0.00 56.93 56.89 1r4q s PHE 20 Cb -0.27 -1.80 0.00 0.00 -0.34 0.00 0.00 43.02 40.61 1r4q s PHE 20 CO 0.34 0.61 -0.06 0.99 -1.46 0.00 0.00 175.22 175.64 1r4q s THR 21 N -1.23 0.57 -0.01 0.12 2.01 -1.16 -2.43 115.64 113.51 1r4q s THR 21 Ca 0.24 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.03 1r4q s THR 21 Cb -0.12 -0.52 -0.01 0.00 0.01 0.00 0.00 72.50 71.86 1r4q s THR 21 CO 0.15 0.19 -0.11 0.68 -0.69 0.00 0.00 174.62 174.84 1r4q s VAL 22 N 0.23 0.91 -0.34 3.82 -7.23 0.13 -1.31 120.40 116.61 1r4q s VAL 22 Ca -0.03 -0.48 -0.09 0.00 -1.81 0.00 0.00 61.98 59.57 1r4q s VAL 22 Cb -0.07 -0.77 0.02 0.00 0.56 0.00 0.00 36.38 36.12 1r4q s VAL 22 CO -0.00 0.26 0.15 -0.75 -0.31 0.00 0.00 175.10 174.45 1r4q s LYS 23 N -0.18 2.91 -0.09 4.82 2.20 -0.27 -1.10 119.74 128.02 1r4q s LYS 23 Ca 0.03 -1.00 0.02 0.00 -0.36 0.00 0.00 55.97 54.66 1r4q s LYS 23 Cb -0.05 -3.56 0.01 0.00 -1.51 0.00 0.00 37.83 32.72 1r4q s LYS 23 CO -0.00 -0.59 -0.14 0.08 -0.36 0.00 0.00 175.35 174.33 1r4q s VAL 24 N 1.51 1.36 0.00 4.02 1.01 -0.91 -0.74 120.40 126.66 1r4q s VAL 24 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1r4q s VAL 24 Cb -0.18 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1r4q s VAL 24 CO 0.05 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1r4q n GLY 25 N 4.04 2.29 2.21 4.51 0.00 -1.26 -2.49 105.19 114.49 1r4q n GLY 25 Ca -0.20 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 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 6.90 5.20 -3.86 1.61 5.75 -1.26 -5.01 116.55 125.89 1r4q n ASP 26 Ca 0.00 -3.75 -0.12 0.00 -0.01 0.00 0.00 54.79 50.92 1r4q n ASP 26 Cb 0.00 -0.46 -0.12 0.00 -1.03 0.00 0.00 41.12 39.52 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 -3.62 0.25 -0.30 0.11 -0.14 -1.04 -4.87 119.74 110.13 1r4q s LYS 27 Ca 0.51 -0.10 -0.05 0.00 -1.36 0.00 0.00 55.97 54.97 1r4q s LYS 27 Cb 0.42 0.11 0.03 0.00 -1.68 0.00 0.00 37.83 36.70 1r4q s LYS 27 CO -0.05 -0.05 0.05 -2.00 -0.76 0.00 0.00 175.35 172.54 1r4q s GLU 28 N -0.54 2.78 0.21 1.68 2.12 -1.26 -2.14 118.70 121.55 1r4q s GLU 28 Ca -0.06 -1.05 0.11 0.00 0.36 0.00 0.00 54.97 54.32 1r4q s GLU 28 Cb -0.04 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1r4q s GLU 28 CO 0.00 -0.53 -0.17 -0.51 -0.54 0.00 0.00 175.26 173.51 1r4q s LEU 29 N 1.39 2.68 0.08 2.70 1.43 -0.26 -0.57 118.68 126.15 1r4q s LEU 29 Ca -0.01 -0.79 0.04 0.00 -1.03 0.00 0.00 54.13 52.35 1r4q s LEU 29 Cb -0.18 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 1r4q s LEU 29 CO 0.01 0.09 -0.12 0.72 0.23 0.00 0.00 176.35 177.28 1r4q s PHE 30 N -1.87 1.12 0.00 0.29 -0.71 -0.75 -0.70 117.98 115.36 1r4q s PHE 30 Ca 0.24 -0.55 -0.01 0.00 -1.04 0.00 0.00 56.93 55.57 1r4q s PHE 30 Cb -0.08 -0.62 -0.01 0.00 -1.21 0.00 0.00 43.02 41.11 1r4q s PHE 30 CO 0.13 0.03 0.02 -0.08 -1.34 0.00 0.00 175.22 173.99 1r4q s THR 31 N -1.84 0.05 -1.78 -4.49 -1.32 -1.02 -2.42 115.64 102.82 1r4q s THR 31 Ca 0.01 -0.42 0.24 0.00 -1.21 0.00 0.00 61.69 60.31 1r4q s THR 31 Cb -0.07 -0.18 0.04 0.00 -1.51 0.00 0.00 72.50 70.78 1r4q s THR 31 CO 0.01 -0.23 1.21 0.59 -2.21 0.00 0.00 174.62 174.00 1r4q n ASN 32 N 2.33 1.55 -4.66 8.08 3.02 -1.26 -3.41 115.26 120.91 1r4q n ASN 32 Ca -0.18 -1.22 -0.42 0.00 -0.03 0.00 0.00 54.58 52.73 1r4q n ASN 32 Cb 0.57 0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 40.16 1r4q n ASN 32 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1r4q s ARG 33 N -2.58 4.12 0.16 3.52 1.81 -1.26 -4.94 118.95 119.79 1r4q s ARG 33 Ca 0.18 2.23 -0.23 0.00 -1.72 0.00 0.00 55.73 56.19 1r4q s ARG 33 Cb 0.18 -4.03 0.05 0.00 -0.45 0.00 0.00 34.95 30.70 1r4q s ARG 33 CO 0.60 -0.92 1.60 0.11 -0.68 0.00 0.00 175.30 176.01 1r4q h TRP 34 N 9.94 -0.91 0.19 -0.53 0.09 -2.02 -2.95 115.95 119.75 1r4q h TRP 34 Ca -0.41 0.06 -0.31 0.00 0.09 0.00 0.00 58.89 58.32 1r4q h TRP 34 Cb 1.19 0.46 0.02 0.00 0.08 0.00 0.00 29.16 30.91 1r4q h TRP 34 CO 0.90 -0.39 -1.36 -0.97 0.09 0.00 0.00 178.44 176.72 1r4q h ASN 35 N -0.27 0.67 -0.19 0.11 -1.24 -2.02 -3.24 115.58 109.40 1r4q h ASN 35 Ca 0.16 -0.71 0.06 0.00 0.71 0.00 0.00 56.30 56.53 1r4q h ASN 35 Cb 0.54 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.36 1r4q h ASN 35 CO -0.52 1.55 0.31 0.25 -1.29 0.00 0.00 177.43 177.72 1r4q h LEU 36 N 0.13 0.00 -0.43 0.34 6.46 -1.95 -1.50 115.31 118.36 1r4q h LEU 36 Ca -0.20 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.40 1r4q h LEU 36 Cb 2.06 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.97 1r4q h LEU 36 CO 0.24 0.00 -0.78 1.56 -0.62 0.00 0.00 178.44 178.84 1r4q h GLN 37 N 0.00 0.01 0.02 1.25 4.20 -1.54 -2.73 115.11 116.32 1r4q h GLN 37 Ca 0.09 -0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.58 1r4q h GLN 37 Cb 0.70 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1r4q h GLN 37 CO -0.00 0.79 -0.96 0.77 -0.67 0.00 0.00 178.83 178.76 1r4q h SER 38 N 0.00 0.27 -0.35 1.46 0.02 -1.43 -1.87 113.55 111.65 1r4q h SER 38 Ca -0.01 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 1r4q h SER 38 Cb 1.39 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 1r4q h SER 38 CO 0.10 1.08 0.09 -0.07 -1.14 0.00 0.00 176.83 176.89 1r4q h LEU 39 N 0.09 0.52 -1.25 5.07 3.38 -1.58 0.19 115.31 121.74 1r4q h LEU 39 Ca -0.06 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1r4q h LEU 39 Cb 1.62 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 1r4q h LEU 39 CO 0.15 0.61 -0.01 -0.07 0.09 0.00 0.00 178.44 179.20 1r4q h LEU 40 N 0.41 0.46 -0.17 1.67 3.38 -1.44 0.28 115.31 119.90 1r4q h LEU 40 Ca 0.11 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1r4q h LEU 40 Cb 0.29 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1r4q h LEU 40 CO -0.00 0.54 -0.01 0.25 0.09 0.00 0.00 178.44 179.32 1r4q h LEU 41 N 0.47 0.31 -1.96 1.67 6.46 -0.47 -0.04 115.31 121.75 1r4q h LEU 41 Ca 0.10 -0.32 -0.02 0.00 -0.12 0.00 0.00 57.88 57.52 1r4q h LEU 41 Cb 0.33 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1r4q h LEU 41 CO 0.01 0.55 -0.10 0.28 -0.62 0.00 0.00 178.44 178.57 1r4q h SER 42 N 0.06 0.00 0.21 1.25 0.02 -0.01 -0.93 113.55 114.14 1r4q h SER 42 Ca 0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1r4q h SER 42 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1r4q h SER 42 CO 0.01 0.10 -0.10 0.00 -1.14 0.00 0.00 176.83 175.70 1r4q h ALA 43 N 1.90 -0.28 0.66 3.77 0.00 0.08 -3.13 119.26 122.26 1r4q h ALA 43 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1r4q h ALA 43 Cb 0.20 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1r4q h ALA 43 CO 0.01 -0.43 -0.47 0.37 0.00 0.00 0.00 179.25 178.72 1r4q h GLN 44 N -0.72 -1.05 0.00 0.00 4.15 -0.45 -1.57 115.11 115.48 1r4q h GLN 44 Ca -0.03 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1r4q h GLN 44 Cb 0.49 0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1r4q h GLN 44 CO 0.05 -0.70 0.00 1.51 -1.93 0.00 0.00 178.83 177.76 1r4q n ILE 45 N -5.40 0.00 -0.45 2.39 3.06 -0.40 -1.18 119.36 117.37 1r4q n ILE 45 Ca -0.13 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.12 1r4q n ILE 45 Cb 0.47 -0.77 0.00 0.00 0.54 0.00 0.00 39.64 39.88 1r4q n ILE 45 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1r4q n THR 46 N -0.80 0.00 -2.28 9.51 -2.24 -1.06 -5.05 114.28 112.35 1r4q n THR 46 Ca 0.01 -0.22 -0.05 0.00 -2.27 0.00 0.00 64.05 61.52 1r4q n THR 46 Cb 0.01 1.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 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 0.08 0.30 3.82 3.38 0.00 -0.32 -5.05 105.19 107.40 1r4q n GLY 47 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 -4.54 1.02 -0.10 1.61 -1.94 -0.97 -4.98 119.30 109.40 1r4q s MET 48 Ca 0.04 0.07 0.01 0.00 -1.71 0.00 0.00 55.69 54.10 1r4q s MET 48 Cb -0.02 -1.84 -0.02 0.00 2.01 0.00 0.00 34.83 34.96 1r4q s MET 48 CO 0.05 -2.24 -0.12 0.99 -0.01 0.00 0.00 175.02 173.69 1r4q s THR 49 N -3.45 3.23 0.23 2.05 2.01 -1.26 -4.28 115.64 114.18 1r4q s THR 49 Ca 0.66 -0.63 0.10 0.00 0.31 0.00 0.00 61.69 62.13 1r4q s THR 49 Cb -0.11 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 1r4q s THR 49 CO 0.52 0.55 -0.17 0.68 -0.69 0.00 0.00 174.62 175.52 1r4q s VAL 50 N -0.17 2.07 -0.14 3.82 -7.23 -0.59 -1.78 120.40 116.37 1r4q s VAL 50 Ca 0.00 -2.28 0.01 0.00 -1.81 0.00 0.00 61.98 57.90 1r4q s VAL 50 Cb -0.13 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.68 1r4q s VAL 50 CO 0.03 -0.49 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.29 1r4q s THR 51 N -2.70 1.64 -0.16 5.32 2.01 -0.73 -2.34 115.64 118.68 1r4q s THR 51 Ca 0.25 -0.69 -0.09 0.00 0.31 0.00 0.00 61.69 61.47 1r4q s THR 51 Cb -0.03 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 1r4q s THR 51 CO 0.10 0.47 0.13 -0.63 -0.69 0.00 0.00 174.62 174.00 1r4q s ILE 52 N 1.31 5.42 -0.10 1.82 1.01 -0.68 -1.53 121.20 128.46 1r4q s ILE 52 Ca 0.02 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.84 1r4q s ILE 52 Cb -0.13 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 1r4q s ILE 52 CO -0.08 0.52 -0.05 -0.54 0.00 0.00 0.00 174.94 174.78 1r4q s LYS 53 N -0.24 3.06 -0.27 2.79 1.02 -0.75 -1.26 119.74 124.09 1r4q s LYS 53 Ca 0.11 -0.53 -0.34 0.00 0.02 0.00 0.00 55.97 55.23 1r4q s LYS 53 Cb -0.11 -2.71 0.17 0.00 -0.52 0.00 0.00 37.83 34.65 1r4q s LYS 53 CO 0.01 0.53 1.34 -0.08 -0.92 0.00 0.00 175.35 176.23 1r4q s THR 54 N -0.45 0.00 -0.05 2.17 -1.32 -0.87 -4.00 115.64 111.12 1r4q s THR 54 Ca 0.07 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.37 1r4q s THR 54 Cb -0.12 -1.00 -0.31 0.00 -1.51 0.00 0.00 72.50 69.56 1r4q s THR 54 CO 0.02 0.00 0.78 0.78 -2.21 0.00 0.00 174.62 173.99 1r4q h ASN 55 N 2.04 0.53 0.00 8.08 2.35 -1.86 -3.37 115.58 123.34 1r4q h ASN 55 Ca -0.06 -0.91 -0.04 0.00 -0.55 0.00 0.00 56.30 54.74 1r4q h ASN 55 Cb 1.16 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 1r4q h ASN 55 CO 0.21 1.56 0.38 0.00 -1.65 0.00 0.00 177.43 177.93 1r4q n ALA 56 N -2.79 1.99 -2.07 -0.83 0.00 -1.26 -4.79 120.51 110.75 1r4q n ALA 56 Ca -0.19 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 1r4q n ALA 56 Cb 0.92 -2.28 -0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 3.65 -0.25 0.37 0.00 -3.43 -1.26 -5.04 115.29 109.32 1r4q s HIS 58 Ca 0.50 -0.07 -0.25 0.00 -0.80 0.00 0.00 55.06 54.44 1r4q s HIS 58 Cb 0.10 0.48 -0.12 0.00 -1.43 0.00 0.00 32.58 31.61 1r4q s HIS 58 CO -0.02 -0.94 0.92 0.09 -2.00 0.00 0.00 174.74 172.79 1r4q n ASN 59 N -0.36 0.84 0.00 7.38 3.02 -1.26 0.11 115.26 124.98 1r4q n ASN 59 Ca -0.11 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 1r4q n ASN 59 Cb 0.63 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 1r4q n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r4q n GLY 60 N 1.32 1.13 3.77 7.41 0.00 0.27 -4.97 105.19 114.12 1r4q n GLY 60 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 2.75 -0.03 -0.02 0.00 0.12 -4.71 107.32 103.43 1r4q s GLY 61 Ca 0.00 0.97 -0.03 0.00 0.00 0.00 0.00 44.72 45.66 1r4q s GLY 61 CO 0.00 1.39 0.13 -0.32 0.00 0.00 0.00 173.10 174.30 1r4q s GLY 62 N -1.47 2.11 0.14 0.20 0.00 -1.26 -1.81 107.32 105.22 1r4q s GLY 62 Ca 0.70 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 44.65 1r4q s GLY 62 CO 0.34 -0.64 -0.03 -0.11 0.00 0.00 0.00 173.10 172.66 1r4q s PHE 63 N -1.22 1.06 0.00 1.90 -0.71 -1.02 -4.47 117.98 113.52 1r4q s PHE 63 Ca 0.23 -0.97 0.00 0.00 -1.04 0.00 0.00 56.93 55.16 1r4q s PHE 63 Cb -0.12 -0.60 0.00 0.00 -1.21 0.00 0.00 43.02 41.08 1r4q s PHE 63 CO 0.14 -0.18 0.17 -1.13 -1.34 0.00 0.00 175.22 172.88 1r4q n SER 64 N -0.15 0.00 -4.11 1.98 3.41 -1.26 -4.55 113.62 108.94 1r4q n SER 64 Ca -0.09 -1.00 -0.28 0.00 -0.26 0.00 0.00 58.87 57.24 1r4q n SER 64 Cb 0.62 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.40 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 2.35 -0.03 4.33 2.02 -1.26 -5.07 118.70 121.04 1r4q s GLU 65 Ca 0.00 -0.63 -0.07 0.00 0.02 0.00 0.00 54.97 54.28 1r4q s GLU 65 Cb 0.00 -1.86 0.01 0.00 0.10 0.00 0.00 34.13 32.38 1r4q s GLU 65 CO 0.00 0.08 0.17 0.08 0.02 0.00 0.00 175.26 175.60 1r4q s VAL 66 N 0.58 0.04 -0.21 2.63 1.01 -1.26 -1.80 120.40 121.38 1r4q s VAL 66 Ca -0.15 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1r4q s VAL 66 Cb -0.17 -0.36 0.04 0.00 0.00 0.00 0.00 36.38 35.89 1r4q s VAL 66 CO 0.05 -0.19 -0.15 -0.63 0.00 0.00 0.00 175.10 174.17 1r4q s ILE 67 N -0.67 2.07 -0.31 2.22 1.01 -0.58 -4.97 121.20 119.96 1r4q s ILE 67 Ca -0.08 -1.23 -0.20 0.00 0.00 0.00 0.00 60.65 59.14 1r4q s ILE 67 Cb -0.04 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 1r4q s ILE 67 CO 0.01 0.27 0.64 -0.36 0.00 0.00 0.00 174.94 175.50 1r4q s PHE 68 N 1.22 3.20 -2.46 3.97 0.40 -1.26 -1.77 117.98 121.29 1r4q s PHE 68 Ca -0.01 0.55 0.28 0.00 -0.60 0.00 0.00 56.93 57.15 1r4q s PHE 68 Cb -0.16 -3.03 1.13 0.00 0.51 0.00 0.00 43.02 41.47 1r4q s PHE 68 CO -0.09 -0.51 1.79 0.54 0.70 0.00 0.00 175.22 177.65