#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rd1 s THR 22 N 0.00 4.09 0.02 1.09 2.01 -1.26 -4.98 115.64 116.61 2rd1 s THR 22 Ca 0.00 1.69 0.07 0.00 0.31 0.00 0.00 61.69 63.76 2rd1 s THR 22 Cb 0.00 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2rd1 s THR 22 CO 0.00 0.23 -0.20 0.20 -0.69 0.00 0.00 174.62 174.16 2rd1 s ASN 23 N 0.28 3.62 0.14 3.53 0.01 -1.26 -0.91 114.94 120.34 2rd1 s ASN 23 Ca 0.51 -0.43 0.08 0.00 -0.71 0.00 0.00 52.86 52.32 2rd1 s ASN 23 Cb -0.28 -0.55 -0.04 0.00 0.41 0.00 0.00 41.25 40.79 2rd1 s ASN 23 CO 0.32 0.28 -0.19 -0.31 -1.51 0.00 0.00 177.10 175.69 2rd1 s TYR 24 N -0.83 1.81 0.51 2.20 1.51 -0.84 -1.19 117.35 120.51 2rd1 s TYR 24 Ca 0.13 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 2rd1 s TYR 24 Cb -0.10 -0.94 0.00 0.00 -0.11 0.00 0.00 41.96 40.80 2rd1 s TYR 24 CO 0.03 0.28 0.00 0.28 -1.11 0.00 0.00 175.55 175.03 2rd1 n VAL 25 N 0.64 0.00 -3.50 0.71 0.31 0.52 -0.48 118.33 116.53 2rd1 n VAL 25 Ca -0.16 -2.38 -0.00 0.00 -0.01 0.00 0.00 64.34 61.79 2rd1 n VAL 25 Cb 0.55 0.47 -0.05 0.00 -0.91 0.00 0.00 33.84 33.91 2rd1 n VAL 25 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2rd1 s THR 27 N -2.82 -0.39 0.61 2.52 -4.23 0.00 -1.20 115.64 110.14 2rd1 s THR 27 Ca 0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.43 2rd1 s THR 27 Cb -0.00 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.83 2rd1 s THR 27 CO 0.00 0.00 0.97 0.42 -0.54 0.00 0.00 174.62 175.47 2rd1 s THR 28 N 2.14 4.05 0.54 3.99 -4.23 0.05 -0.35 115.64 121.82 2rd1 s THR 28 Ca -0.05 0.38 0.20 0.00 -1.18 0.00 0.00 61.69 61.04 2rd1 s THR 28 Cb -0.06 -3.62 0.30 0.00 1.34 0.00 0.00 72.50 70.46 2rd1 s THR 28 CO -0.17 -0.73 2.16 0.50 -0.54 0.00 0.00 174.62 175.84 2rd1 h LYS 29 N -0.29 0.00 -0.40 3.99 3.64 0.23 -1.10 116.57 122.64 2rd1 h LYS 29 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2rd1 h LYS 29 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2rd1 h LYS 29 CO 0.62 0.00 0.00 0.27 -2.27 0.00 0.00 179.45 178.07 2rd1 n ASN 30 N -4.35 2.18 0.00 4.20 6.94 -1.26 -4.93 115.26 118.04 2rd1 n ASN 30 Ca -0.02 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.55 2rd1 n ASN 30 Cb 0.12 -0.27 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 2rd1 n ASN 30 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2rd1 n GLY 31 N 1.15 0.86 3.87 4.83 0.00 -0.42 -5.08 105.19 110.40 2rd1 n GLY 31 Ca 0.14 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2rd1 n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rd1 s GLN 32 N -0.71 3.84 -0.20 1.61 -0.21 -1.26 -4.84 119.66 117.90 2rd1 s GLN 32 Ca 0.00 0.42 -0.00 0.00 0.02 0.00 0.00 55.36 55.80 2rd1 s GLN 32 Cb 0.00 -2.51 0.02 0.00 1.00 0.00 0.00 33.01 31.52 2rd1 s GLN 32 CO 0.00 0.16 -0.15 0.99 -2.12 0.00 0.00 175.29 174.17 2rd1 s THR 33 N -2.04 2.39 -0.11 -0.19 2.01 -1.26 -0.77 115.64 115.67 2rd1 s THR 33 Ca 0.50 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.61 2rd1 s THR 33 Cb -0.11 -2.07 0.02 0.00 0.01 0.00 0.00 72.50 70.36 2rd1 s THR 33 CO 0.23 0.46 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.87 2rd1 s ILE 34 N 1.32 1.26 -0.02 1.82 1.01 -1.26 -5.03 121.20 120.30 2rd1 s ILE 34 Ca 0.04 -0.48 -0.26 0.00 0.00 0.00 0.00 60.65 59.95 2rd1 s ILE 34 Cb -0.14 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 2rd1 s ILE 34 CO -0.10 0.40 0.83 -0.69 0.00 0.00 0.00 174.94 175.38 2rd1 s VAL 35 N 1.27 4.92 0.15 2.92 1.01 -1.26 -4.33 120.40 125.08 2rd1 s VAL 35 Ca -0.02 1.73 0.10 0.00 0.00 0.00 0.00 61.98 63.80 2rd1 s VAL 35 Cb -0.14 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 2rd1 s VAL 35 CO -0.05 0.23 -0.24 0.42 0.00 0.00 0.00 175.10 175.47 2rd1 s THR 36 N 0.75 2.13 -0.49 3.92 -4.23 0.37 -3.94 115.64 114.15 2rd1 s THR 36 Ca 0.44 -1.84 -0.18 0.00 -1.18 0.00 0.00 61.69 58.92 2rd1 s THR 36 Cb -0.20 -1.94 0.06 0.00 1.34 0.00 0.00 72.50 71.76 2rd1 s THR 36 CO 0.23 -0.07 0.56 -1.10 -0.54 0.00 0.00 174.62 173.69 2rd1 s GLN 37 N -2.36 3.09 0.00 3.99 -0.21 -0.04 -1.98 119.66 122.15 2rd1 s GLN 37 Ca 0.15 -0.97 0.00 0.00 0.02 0.00 0.00 55.36 54.56 2rd1 s GLN 37 Cb -0.09 -4.09 0.00 0.00 1.00 0.00 0.00 33.01 29.83 2rd1 s GLN 37 CO 0.07 -1.14 0.00 0.41 -2.12 0.00 0.00 175.29 172.51 2rd1 n GLY 38 N 5.17 -0.08 3.68 3.09 0.00 -0.09 -4.46 105.19 112.50 2rd1 n GLY 38 Ca -0.08 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 2rd1 n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rd1 s LYS 39 N -1.79 4.29 0.39 1.61 2.20 -1.26 -4.36 119.74 120.81 2rd1 s LYS 39 Ca 0.00 0.80 -0.25 0.00 -0.36 0.00 0.00 55.97 56.16 2rd1 s LYS 39 Cb 0.00 -3.55 -0.11 0.00 -1.51 0.00 0.00 37.83 32.66 2rd1 s LYS 39 CO 0.00 -0.21 1.03 -2.30 -0.36 0.00 0.00 175.35 173.51 2rd1 n PRO 40 N 4.85 1.41 -3.91 4.03 -0.02 -1.26 -4.97 135.00 135.12 2rd1 n PRO 40 Ca 0.01 0.50 -0.35 0.00 -2.02 0.00 0.00 63.50 61.64 2rd1 n PRO 40 Cb 0.50 -2.02 -0.10 0.00 -0.02 0.00 0.00 33.50 31.86 2rd1 n PRO 40 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2rd1 s GLN 41 N -1.91 3.95 0.15 -0.52 -0.21 -0.07 -4.92 119.66 116.12 2rd1 s GLN 41 Ca 0.62 -0.35 -0.24 0.00 0.02 0.00 0.00 55.36 55.40 2rd1 s GLN 41 Cb -0.59 -3.29 -0.08 0.00 1.00 0.00 0.00 33.01 30.06 2rd1 s GLN 41 CO 0.58 0.17 0.74 -1.17 -2.12 0.00 0.00 175.29 173.49 2rd1 s LEU 42 N 0.68 4.58 -0.31 2.90 1.98 -1.26 -1.34 118.68 125.91 2rd1 s LEU 42 Ca 0.04 1.58 0.01 0.00 -2.89 0.00 0.00 54.13 52.87 2rd1 s LEU 42 Cb -0.13 -3.23 0.09 0.00 0.66 0.00 0.00 46.19 43.58 2rd1 s LEU 42 CO 0.02 0.21 0.06 -0.62 -1.89 0.00 0.00 176.35 174.12 2rd1 s ASP 43 N -1.09 4.26 0.15 3.68 -1.08 -1.26 -5.00 116.67 116.34 2rd1 s ASP 43 Ca 0.35 -1.75 -0.18 0.00 -0.52 0.00 0.00 52.55 50.44 2rd1 s ASP 43 Cb -0.22 -1.19 0.06 0.00 -1.46 0.00 0.00 42.92 40.11 2rd1 s ASP 43 CO 0.25 -0.38 1.67 0.11 0.52 0.00 0.00 175.17 177.35 2rd1 h LYS 44 N 7.90 -0.03 -0.96 4.34 1.79 -1.97 -0.62 116.57 127.01 2rd1 h LYS 44 Ca -0.11 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.31 2rd1 h LYS 44 Cb 1.03 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.65 2rd1 h LYS 44 CO 0.48 -0.02 0.07 -0.85 -1.08 0.00 0.00 179.45 178.05 2rd1 n GLU 45 N -5.29 1.50 0.00 3.15 0.28 -1.26 -3.32 120.64 115.71 2rd1 n GLU 45 Ca 0.01 -0.63 0.00 0.00 -0.16 0.00 0.00 57.16 56.38 2rd1 n GLU 45 Cb 0.20 -1.43 0.00 0.00 1.43 0.00 0.00 31.44 31.65 2rd1 n GLU 45 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2rd1 n THR 46 N 0.15 0.00 -2.88 3.84 -2.24 -1.05 -5.26 114.28 106.84 2rd1 n THR 46 Ca 0.09 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.82 2rd1 n THR 46 Cb 0.61 0.42 0.03 0.00 -2.10 0.00 0.00 70.33 69.28 2rd1 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rd1 n GLY 47 N 0.00 -0.98 3.46 3.38 0.00 -0.27 -4.98 105.19 105.81 2rd1 n GLY 47 Ca 0.00 0.40 0.01 0.00 0.00 0.00 0.00 46.02 46.43 2rd1 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rd1 s THR 49 N -3.14 -0.50 0.04 2.61 2.01 0.14 -0.51 115.64 116.28 2rd1 s THR 49 Ca 0.17 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 2rd1 s THR 49 Cb -0.02 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 2rd1 s THR 49 CO 0.62 0.00 0.18 -0.94 -0.69 0.00 0.00 174.62 173.80 2rd1 s SER 50 N 2.37 6.26 0.22 3.53 1.04 -0.45 -0.20 113.70 126.48 2rd1 s SER 50 Ca -0.04 0.27 -0.17 0.00 0.48 0.00 0.00 55.95 56.49 2rd1 s SER 50 Cb -0.06 -1.92 0.02 0.00 0.10 0.00 0.00 66.02 64.16 2rd1 s SER 50 CO -0.17 0.21 0.55 -0.72 0.98 0.00 0.00 173.24 174.08 2rd1 s TYR 51 N -1.42 -0.04 -0.16 5.02 -0.85 0.11 -0.89 117.35 119.12 2rd1 s TYR 51 Ca 0.31 -0.33 -0.02 0.00 -0.52 0.00 0.00 57.07 56.52 2rd1 s TYR 51 Cb -0.13 0.41 -0.02 0.00 0.38 0.00 0.00 41.96 42.61 2rd1 s TYR 51 CO 0.24 -0.99 -0.08 0.99 -1.52 0.00 0.00 175.55 174.19 2rd1 s THR 52 N -3.91 3.40 0.13 -3.49 2.01 -1.26 0.94 115.64 113.45 2rd1 s THR 52 Ca 0.12 -0.53 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 2rd1 s THR 52 Cb -0.02 -2.47 0.03 0.00 0.01 0.00 0.00 72.50 70.05 2rd1 s THR 52 CO 0.01 0.49 0.16 -0.90 -0.69 0.00 0.00 174.62 173.70 2rd1 n ASP 53 N 3.80 -0.11 0.06 3.53 5.68 0.00 -0.86 116.55 128.65 2rd1 n ASP 53 Ca -0.18 -1.01 0.10 0.00 -0.50 0.00 0.00 54.79 53.21 2rd1 n ASP 53 Cb 0.52 -0.13 0.43 0.00 -1.14 0.00 0.00 41.12 40.80 2rd1 n ASP 53 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2rd1 n GLN 54 N -1.41 0.10 0.03 0.11 1.13 -1.25 -2.24 117.38 113.84 2rd1 n GLN 54 Ca 0.02 0.27 0.11 0.00 -1.94 0.00 0.00 57.00 55.46 2rd1 n GLN 54 Cb 0.07 -1.66 0.00 0.00 0.11 0.00 0.00 30.24 28.76 2rd1 n GLN 54 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2rd1 n GLU 55 N -1.84 0.33 0.00 -1.09 -0.58 -1.26 -4.94 120.64 111.26 2rd1 n GLU 55 Ca 0.04 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2rd1 n GLU 55 Cb 0.24 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 2rd1 n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rd1 n GLY 56 N 1.35 0.75 3.79 0.62 0.00 -0.95 -5.08 105.19 105.68 2rd1 n GLY 56 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 2rd1 n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2rd1 s ASN 57 N -2.41 6.56 -0.05 1.61 0.01 -1.26 -4.76 114.94 114.64 2rd1 s ASN 57 Ca 0.00 1.93 -0.18 0.00 -0.71 0.00 0.00 52.86 53.90 2rd1 s ASN 57 Cb 0.00 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 39.04 2rd1 s ASN 57 CO 0.00 -0.63 0.51 -1.10 -1.51 0.00 0.00 177.10 174.37 2rd1 s GLN 58 N -2.97 4.25 0.10 -0.60 -1.52 -1.26 -0.82 119.66 116.83 2rd1 s GLN 58 Ca 0.63 0.56 0.01 0.00 -1.95 0.00 0.00 55.36 54.61 2rd1 s GLN 58 Cb -0.17 -3.35 -0.04 0.00 -0.22 0.00 0.00 33.01 29.22 2rd1 s GLN 58 CO 0.21 0.35 -0.03 1.03 -0.25 0.00 0.00 175.29 176.61 2rd1 s ARG 59 N -0.06 0.81 -0.01 2.91 0.52 0.27 -4.96 118.95 118.43 2rd1 s ARG 59 Ca 0.28 -1.34 0.03 0.00 -0.52 0.00 0.00 55.73 54.17 2rd1 s ARG 59 Cb -0.17 -0.04 -0.01 0.00 0.52 0.00 0.00 34.95 35.26 2rd1 s ARG 59 CO 0.14 -0.09 -0.08 -2.00 0.02 0.00 0.00 175.30 173.29 2rd1 s GLU 60 N -3.89 0.67 0.00 3.54 2.12 -1.26 0.08 118.70 119.96 2rd1 s GLU 60 Ca 0.13 -0.29 -0.03 0.00 0.36 0.00 0.00 54.97 55.14 2rd1 s GLU 60 Cb 0.06 -0.65 -0.01 0.00 0.26 0.00 0.00 34.13 33.80 2rd1 s GLU 60 CO -0.05 0.18 0.05 -1.50 -0.54 0.00 0.00 175.26 173.40 2rd1 s ILE 61 N -0.18 0.08 0.17 -3.70 2.07 0.72 -4.95 121.20 115.40 2rd1 s ILE 61 Ca 0.03 -0.62 -0.33 0.00 -1.41 0.00 0.00 60.65 58.32 2rd1 s ILE 61 Cb -0.03 -0.28 -0.13 0.00 0.13 0.00 0.00 42.46 42.14 2rd1 s ILE 61 CO -0.00 -0.34 1.66 0.59 -1.91 0.00 0.00 174.94 174.93 2rd1 n ASN 62 N 1.88 3.48 0.31 4.50 3.02 -1.26 0.28 115.26 127.47 2rd1 n ASN 62 Ca -0.21 1.07 0.20 0.00 -0.03 0.00 0.00 54.58 55.60 2rd1 n ASN 62 Cb 0.56 -1.48 0.96 0.00 -0.61 0.00 0.00 39.78 39.20 2rd1 n ASN 62 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2rd1 h SER 63 N 6.49 0.00 0.49 6.41 0.02 -1.15 -1.68 113.55 124.13 2rd1 h SER 63 Ca -0.44 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.42 2rd1 h SER 63 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2rd1 h SER 63 CO 0.92 0.01 -0.43 0.78 -1.14 0.00 0.00 176.83 176.97 2rd1 h ASN 64 N 0.00 0.00 -0.04 3.07 4.21 -1.88 -2.94 115.58 118.00 2rd1 h ASN 64 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2rd1 h ASN 64 Cb 0.24 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 2rd1 h ASN 64 CO 0.00 0.43 0.00 0.47 -1.29 0.00 0.00 177.43 177.04 2rd1 n ASP 65 N -3.94 0.81 -4.53 5.81 8.00 -0.63 -4.77 116.55 117.30 2rd1 n ASP 65 Ca -0.02 -1.39 -0.42 0.00 0.71 0.00 0.00 54.79 53.67 2rd1 n ASP 65 Cb 0.47 -0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.48 2rd1 n ASP 65 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2rd1 s VAL 66 N -1.96 4.88 -0.08 2.53 1.01 -1.11 0.93 120.40 126.60 2rd1 s VAL 66 Ca 0.38 0.24 -0.19 0.00 0.00 0.00 0.00 61.98 62.41 2rd1 s VAL 66 Cb 0.19 -4.13 -0.29 0.00 0.00 0.00 0.00 36.38 32.15 2rd1 s VAL 66 CO 0.31 -0.46 0.69 0.00 0.00 0.00 0.00 175.10 175.63 2rd1 h ALA 67 N 8.71 0.06 -2.64 5.51 0.00 -0.93 -3.46 119.26 126.51 2rd1 h ALA 67 Ca -0.26 -0.92 -0.12 0.00 0.00 0.00 0.00 54.91 53.60 2rd1 h ALA 67 Cb 1.10 0.32 -0.22 0.00 0.00 0.00 0.00 17.79 19.00 2rd1 h ALA 67 CO 0.86 0.63 -0.28 -0.65 0.00 0.00 0.00 179.25 179.80 2rd1 s GLN 68 N -2.45 0.58 -0.28 0.00 -0.21 -0.81 -4.97 119.66 111.52 2rd1 s GLN 68 Ca -0.17 0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.28 2rd1 s GLN 68 Cb 0.03 0.26 0.08 0.00 1.00 0.00 0.00 33.01 34.38 2rd1 s GLN 68 CO 0.79 -0.14 0.03 -0.51 -2.12 0.00 0.00 175.29 173.34 2rd1 s LEU 69 N -0.76 2.68 -0.07 2.90 1.43 -1.26 -0.82 118.68 122.78 2rd1 s LEU 69 Ca -0.08 -1.47 0.04 0.00 -1.03 0.00 0.00 54.13 51.59 2rd1 s LEU 69 Cb -0.04 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 2rd1 s LEU 69 CO 0.03 -0.33 -0.21 -0.63 0.23 0.00 0.00 176.35 175.44 2rd1 s ILE 70 N 1.44 2.40 0.09 -0.59 1.01 -0.34 -4.94 121.20 120.27 2rd1 s ILE 70 Ca 0.03 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 2rd1 s ILE 70 Cb -0.18 -1.91 -0.06 0.00 0.01 0.00 0.00 42.46 40.31 2rd1 s ILE 70 CO -0.13 0.56 1.18 -0.75 0.00 0.00 0.00 174.94 175.80 2rd1 s LYS 71 N -0.11 4.46 0.17 2.79 2.20 -1.26 -0.35 119.74 127.64 2rd1 s LYS 71 Ca -0.04 1.77 -0.20 0.00 -0.36 0.00 0.00 55.97 57.14 2rd1 s LYS 71 Cb -0.14 -3.33 -0.08 0.00 -1.51 0.00 0.00 37.83 32.78 2rd1 s LYS 71 CO 0.04 -0.19 0.68 0.00 -0.36 0.00 0.00 175.35 175.52 2rd1 s ALA 72 N 0.75 3.48 0.29 3.13 0.00 -0.34 -4.92 121.76 124.15 2rd1 s ALA 72 Ca 0.57 0.13 -0.05 0.00 0.00 0.00 0.00 51.96 52.61 2rd1 s ALA 72 Cb -0.30 -2.77 -0.05 0.00 0.00 0.00 0.00 23.12 20.00 2rd1 s ALA 72 CO 0.31 0.35 0.55 -0.51 0.00 0.00 0.00 175.76 176.46 2rd1 s ASP 73 N -1.47 6.44 0.23 0.00 1.01 -1.26 -4.74 116.67 116.89 2rd1 s ASP 73 Ca 0.38 0.70 0.06 0.00 0.71 0.00 0.00 52.55 54.41 2rd1 s ASP 73 Cb -0.18 -2.14 0.23 0.00 1.01 0.00 0.00 42.92 41.84 2rd1 s ASP 73 CO 0.21 -0.19 1.54 0.25 0.21 0.00 0.00 175.17 177.19 2rd1 h LEU 74 N 1.68 0.17 -8.06 1.23 5.85 -2.00 -3.47 115.31 110.71 2rd1 h LEU 74 Ca -0.48 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.17 2rd1 h LEU 74 Cb 1.19 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 2rd1 h LEU 74 CO 0.66 0.78 0.15 -1.83 -0.34 0.00 0.00 178.44 177.86 2rd1 s GLU 75 N -3.59 1.74 0.19 1.25 -1.05 -1.26 -5.15 118.70 110.84 2rd1 s GLU 75 Ca -0.03 -1.07 -0.30 0.00 -0.15 0.00 0.00 54.97 53.43 2rd1 s GLU 75 Cb 0.12 0.58 -0.08 0.00 -0.44 0.00 0.00 34.13 34.31 2rd1 s GLU 75 CO 0.79 -0.78 0.97 -3.38 0.95 0.00 0.00 175.26 173.81 2rd1 s HIS 76 N -3.90 3.88 -0.15 4.83 -3.43 -1.26 -5.04 115.29 110.22 2rd1 s HIS 76 Ca 0.14 1.84 -0.01 0.00 -0.80 0.00 0.00 55.06 56.24 2rd1 s HIS 76 Cb -0.05 -3.04 0.04 0.00 -1.43 0.00 0.00 32.58 28.09 2rd1 s HIS 76 CO 0.08 0.24 -0.06 -3.38 -2.00 0.00 0.00 174.74 169.62 2rd1 s HIS 77 N -0.69 1.60 0.00 0.38 -3.43 -1.26 -5.25 115.29 106.64 2rd1 s HIS 77 Ca 0.44 -0.95 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 2rd1 s HIS 77 Cb -0.26 -1.27 0.00 0.00 -1.43 0.00 0.00 32.58 29.62 2rd1 s HIS 77 CO 0.32 -0.58 0.00 0.72 -2.00 0.00 0.00 174.74 173.20