#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x43 s SER 2 N 0.00 -0.47 0.47 1.61 1.04 -1.26 -5.18 113.70 109.91 1x43 s SER 2 Ca 0.00 0.89 0.05 0.00 0.48 0.00 0.00 55.95 57.37 1x43 s SER 2 Cb 0.00 0.92 -0.02 0.00 0.10 0.00 0.00 66.02 67.01 1x43 s SER 2 CO 0.00 -0.15 0.16 -0.55 0.98 0.00 0.00 173.24 173.67 1x43 s SER 3 N 0.28 4.32 -0.33 7.02 0.15 -1.26 -5.13 113.70 118.74 1x43 s SER 3 Ca 0.03 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.36 1x43 s SER 3 Cb -0.05 0.01 0.19 0.00 -1.71 0.00 0.00 66.02 64.46 1x43 s SER 3 CO -0.06 -0.74 0.78 -0.83 1.20 0.00 0.00 173.24 173.58 1x43 s GLY 4 N -3.96 -1.24 -0.12 9.45 0.00 -1.26 -5.13 107.32 105.06 1x43 s GLY 4 Ca 0.29 1.09 -0.04 0.00 0.00 0.00 0.00 44.72 46.06 1x43 s GLY 4 CO 0.16 3.88 0.21 -0.56 0.00 0.00 0.00 173.10 176.79 1x43 s SER 5 N 2.44 0.69 -0.06 1.64 0.01 -1.26 -5.15 113.70 112.01 1x43 s SER 5 Ca 0.16 0.36 -0.25 0.00 1.31 0.00 0.00 55.95 57.53 1x43 s SER 5 Cb -0.04 0.45 0.05 0.00 0.21 0.00 0.00 66.02 66.69 1x43 s SER 5 CO -0.18 -0.25 0.55 -0.94 0.41 0.00 0.00 173.24 172.83 1x43 s SER 6 N 2.34 -0.51 0.00 2.44 1.04 -1.26 -5.05 113.70 112.71 1x43 s SER 6 Ca 0.03 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1x43 s SER 6 Cb -0.12 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1x43 s SER 6 CO -0.08 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.24 1x43 n GLY 7 N 1.23 0.00 3.53 7.32 0.00 -1.26 -5.11 105.19 110.89 1x43 n GLY 7 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1x43 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x43 s LEU 8 N 0.00 4.10 -0.44 0.99 1.43 -1.26 -4.96 118.68 118.54 1x43 s LEU 8 Ca 0.00 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1x43 s LEU 8 Cb 0.00 -2.87 0.15 0.00 0.03 0.00 0.00 46.19 43.50 1x43 s LEU 8 CO 0.00 -1.20 0.30 0.20 0.23 0.00 0.00 176.35 175.88 1x43 s ASN 9 N 2.76 2.84 0.57 2.29 -0.87 -1.26 -5.12 114.94 116.16 1x43 s ASN 9 Ca 0.31 -2.84 0.07 0.00 -1.57 0.00 0.00 52.86 48.84 1x43 s ASN 9 Cb -0.12 -0.74 0.07 0.00 -0.02 0.00 0.00 41.25 40.43 1x43 s ASN 9 CO 0.20 -0.22 0.60 1.51 -2.57 0.00 0.00 177.10 176.63 1x43 s ASP 10 N 0.19 4.81 0.10 -1.22 1.47 -1.26 -5.05 116.67 115.71 1x43 s ASP 10 Ca 0.24 -1.11 -0.31 0.00 1.18 0.00 0.00 52.55 52.56 1x43 s ASP 10 Cb -0.11 0.48 -0.10 0.00 -0.34 0.00 0.00 42.92 42.84 1x43 s ASP 10 CO -0.09 -1.28 1.88 -0.76 0.68 0.00 0.00 175.17 175.60 1x43 s LEU 11 N -4.49 4.41 0.10 2.11 1.02 -1.26 -4.97 118.68 115.60 1x43 s LEU 11 Ca 0.47 2.75 -0.13 0.00 0.02 0.00 0.00 54.13 57.23 1x43 s LEU 11 Cb -0.04 -3.56 0.02 0.00 0.02 0.00 0.00 46.19 42.64 1x43 s LEU 11 CO 0.29 -1.03 0.31 -1.59 0.02 0.00 0.00 176.35 174.36 1x43 s LYS 12 N 3.27 0.96 0.01 1.70 0.00 -1.26 -5.08 119.74 119.34 1x43 s LYS 12 Ca 0.84 -0.80 0.00 0.00 0.00 0.00 0.00 55.97 56.01 1x43 s LYS 12 Cb -0.45 0.41 0.00 0.00 0.00 0.00 0.00 37.83 37.79 1x43 s LYS 12 CO 0.38 -0.34 0.00 0.39 0.00 0.00 0.00 175.35 175.78 1x43 n GLU 13 N -0.10 0.00 -3.40 1.78 -0.58 -1.26 -5.09 120.64 111.99 1x43 n GLU 13 Ca -0.16 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.39 1x43 n GLU 13 Cb 0.63 -0.46 -0.01 0.00 -0.57 0.00 0.00 31.44 31.03 1x43 n GLU 13 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1x43 s SER 14 N -5.10 5.49 -0.03 1.62 1.04 -1.26 -5.13 113.70 110.33 1x43 s SER 14 Ca 0.00 -0.48 0.05 0.00 0.48 0.00 0.00 55.95 56.00 1x43 s SER 14 Cb 0.00 -0.81 -0.01 0.00 0.10 0.00 0.00 66.02 65.31 1x43 s SER 14 CO 0.00 -0.59 -0.17 -0.44 0.98 0.00 0.00 173.24 173.02 1x43 s SER 15 N -4.19 2.07 -0.26 7.02 0.01 -1.26 -5.03 113.70 112.07 1x43 s SER 15 Ca 0.49 -0.33 0.10 0.00 1.31 0.00 0.00 55.95 57.51 1x43 s SER 15 Cb -0.07 -0.43 0.47 0.00 0.21 0.00 0.00 66.02 66.19 1x43 s SER 15 CO 0.30 0.18 1.35 -3.20 0.41 0.00 0.00 173.24 172.28 1x43 n ASN 16 N 2.95 2.10 -4.94 2.44 2.85 -1.26 -5.04 115.26 114.36 1x43 n ASN 16 Ca -0.17 -3.85 -0.24 0.00 -0.11 0.00 0.00 54.58 50.21 1x43 n ASN 16 Cb 0.53 -0.59 0.05 0.00 1.24 0.00 0.00 39.78 41.02 1x43 n ASN 16 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1x43 s ASN 17 N -2.87 5.03 0.46 1.20 0.01 -1.26 -5.08 114.94 112.43 1x43 s ASN 17 Ca 0.42 0.33 -0.11 0.00 -0.71 0.00 0.00 52.86 52.78 1x43 s ASN 17 Cb 0.39 -1.08 -0.06 0.00 0.41 0.00 0.00 41.25 40.91 1x43 s ASN 17 CO -0.04 -1.40 0.85 -0.13 -1.51 0.00 0.00 177.10 174.87 1x43 s ARG 18 N -5.07 3.76 -0.05 -0.60 0.52 -0.37 -4.91 118.95 112.23 1x43 s ARG 18 Ca 0.59 0.56 0.04 0.00 -0.52 0.00 0.00 55.73 56.40 1x43 s ARG 18 Cb -0.11 -2.30 -0.00 0.00 0.52 0.00 0.00 34.95 33.06 1x43 s ARG 18 CO 0.43 -0.17 -0.16 0.15 0.02 0.00 0.00 175.30 175.57 1x43 s LYS 19 N -4.18 1.70 0.01 3.54 -0.14 -1.26 -0.24 119.74 119.17 1x43 s LYS 19 Ca 0.53 -0.55 -0.03 0.00 -1.36 0.00 0.00 55.97 54.56 1x43 s LYS 19 Cb -0.10 -1.47 -0.01 0.00 -1.68 0.00 0.00 37.83 34.57 1x43 s LYS 19 CO 0.36 0.20 0.04 0.00 -0.76 0.00 0.00 175.35 175.18 1x43 s ALA 20 N 0.15 -0.06 -0.16 5.17 0.00 -1.18 -3.22 121.76 122.46 1x43 s ALA 20 Ca -0.06 -0.37 -0.14 0.00 0.00 0.00 0.00 51.96 51.39 1x43 s ALA 20 Cb -0.12 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 1x43 s ALA 20 CO 0.02 -0.17 0.30 0.50 0.00 0.00 0.00 175.76 176.42 1x43 s ARG 21 N -1.34 4.26 0.17 0.00 3.52 -1.23 -2.53 118.95 121.80 1x43 s ARG 21 Ca -0.15 0.11 -0.30 0.00 -0.13 0.00 0.00 55.73 55.27 1x43 s ARG 21 Cb -0.09 -3.43 -0.08 0.00 -1.56 0.00 0.00 34.95 29.80 1x43 s ARG 21 CO 0.00 0.23 1.26 0.08 -0.81 0.00 0.00 175.30 176.05 1x43 s VAL 22 N 0.50 3.46 -0.06 7.11 1.01 0.89 -2.01 120.40 131.29 1x43 s VAL 22 Ca 0.17 1.18 0.09 0.00 0.00 0.00 0.00 61.98 63.43 1x43 s VAL 22 Cb -0.13 -3.76 -0.24 0.00 0.00 0.00 0.00 36.38 32.26 1x43 s VAL 22 CO 0.04 0.17 0.59 0.18 0.00 0.00 0.00 175.10 176.07 1x43 n LEU 23 N 2.83 1.16 -3.83 3.92 4.77 0.47 -1.98 117.00 124.33 1x43 n LEU 23 Ca 0.06 0.36 -0.12 0.00 -0.03 0.00 0.00 56.01 56.29 1x43 n LEU 23 Cb 0.44 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 1x43 n LEU 23 CO 0.57 0.48 -0.14 -0.31 -1.33 0.00 0.00 177.39 176.66 1x43 s TYR 24 N -2.59 -0.07 -0.20 -1.77 1.51 -1.26 -4.65 117.35 108.32 1x43 s TYR 24 Ca -0.08 0.13 -0.29 0.00 -1.01 0.00 0.00 57.07 55.82 1x43 s TYR 24 Cb 0.08 0.01 -0.04 0.00 -0.11 0.00 0.00 41.96 41.90 1x43 s TYR 24 CO 0.81 -0.24 1.75 0.16 -1.11 0.00 0.00 175.55 176.92 1x43 s ASP 25 N -0.90 6.22 0.19 2.29 1.47 -1.26 -4.45 116.67 120.23 1x43 s ASP 25 Ca -0.10 1.74 0.00 0.00 1.18 0.00 0.00 52.55 55.38 1x43 s ASP 25 Cb -0.05 -2.53 -0.04 0.00 -0.34 0.00 0.00 42.92 39.96 1x43 s ASP 25 CO 0.02 -1.37 0.36 -0.47 0.68 0.00 0.00 175.17 174.39 1x43 s TYR 26 N 5.67 3.48 -0.13 2.11 5.04 0.32 -4.88 117.35 128.96 1x43 s TYR 26 Ca 0.78 0.26 0.02 0.00 -2.44 0.00 0.00 57.07 55.69 1x43 s TYR 26 Cb -0.28 -1.79 0.02 0.00 0.35 0.00 0.00 41.96 40.26 1x43 s TYR 26 CO 0.32 0.42 -0.17 0.34 -1.34 0.00 0.00 175.55 175.11 1x43 s ASP 27 N -3.23 2.73 0.28 4.32 2.15 -1.26 -0.19 116.67 121.48 1x43 s ASP 27 Ca 0.37 -0.51 -0.29 0.00 0.43 0.00 0.00 52.55 52.55 1x43 s ASP 27 Cb -0.11 -1.24 -0.10 0.00 -0.30 0.00 0.00 42.92 41.17 1x43 s ASP 27 CO 0.29 0.01 1.41 0.00 -0.17 0.00 0.00 175.17 176.71 1x43 s ALA 28 N 1.09 3.59 -0.08 3.66 0.00 -1.25 -4.89 121.76 123.87 1x43 s ALA 28 Ca -0.03 1.33 -0.07 0.00 0.00 0.00 0.00 51.96 53.20 1x43 s ALA 28 Cb -0.14 -3.54 -0.28 0.00 0.00 0.00 0.00 23.12 19.16 1x43 s ALA 28 CO -0.05 -0.75 0.53 0.00 0.00 0.00 0.00 175.76 175.49 1x43 h ALA 29 N 4.43 0.35 -4.03 0.00 0.00 -1.91 -3.48 119.26 114.61 1x43 h ALA 29 Ca -0.47 -1.29 -0.26 0.00 0.00 0.00 0.00 54.91 52.89 1x43 h ALA 29 Cb 1.22 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 19.52 1x43 h ALA 29 CO 0.73 1.22 -0.24 0.09 0.00 0.00 0.00 179.25 181.05 1x43 n ASN 30 N -3.49 -0.02 0.00 0.00 3.02 -1.26 -5.01 115.26 108.50 1x43 n ASN 30 Ca -0.27 -2.13 0.07 0.00 -0.03 0.00 0.00 54.58 52.22 1x43 n ASN 30 Cb 1.06 0.78 0.40 0.00 -0.61 0.00 0.00 39.78 41.41 1x43 n ASN 30 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1x43 n SER 31 N -2.20 0.00 0.03 6.41 3.41 -1.26 -1.66 113.62 118.36 1x43 n SER 31 Ca 0.02 -0.28 0.11 0.00 -0.26 0.00 0.00 58.87 58.47 1x43 n SER 31 Cb 0.31 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.13 1x43 n SER 31 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1x43 n THR 32 N -1.09 0.18 -4.29 6.66 -2.24 -1.26 -4.91 114.28 107.33 1x43 n THR 32 Ca 0.09 -0.32 -0.25 0.00 -2.27 0.00 0.00 64.05 61.29 1x43 n THR 32 Cb 0.07 0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.36 1x43 n THR 32 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x43 s GLU 33 N -3.28 2.17 0.16 -0.78 2.02 -0.66 0.19 118.70 118.53 1x43 s GLU 33 Ca 0.01 -1.31 0.11 0.00 0.02 0.00 0.00 54.97 53.80 1x43 s GLU 33 Cb 0.14 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 32.15 1x43 s GLU 33 CO 0.83 0.41 -0.22 -0.51 0.02 0.00 0.00 175.26 175.79 1x43 s LEU 34 N -3.13 2.50 0.03 1.80 1.43 -1.20 -4.68 118.68 115.43 1x43 s LEU 34 Ca 0.27 -0.76 -0.24 0.00 -1.03 0.00 0.00 54.13 52.37 1x43 s LEU 34 Cb -0.08 -1.29 -0.05 0.00 0.03 0.00 0.00 46.19 44.80 1x43 s LEU 34 CO 0.17 0.14 0.74 -0.44 0.23 0.00 0.00 176.35 177.19 1x43 s SER 35 N -2.46 7.17 0.15 2.29 0.01 -1.26 -3.79 113.70 115.81 1x43 s SER 35 Ca 0.19 1.40 0.11 0.00 1.31 0.00 0.00 55.95 58.96 1x43 s SER 35 Cb -0.09 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 1x43 s SER 35 CO 0.09 0.02 -0.24 -0.76 0.41 0.00 0.00 173.24 172.77 1x43 s LEU 36 N -0.04 2.45 0.30 2.44 1.43 0.74 -4.91 118.68 121.08 1x43 s LEU 36 Ca 0.38 -0.75 0.09 0.00 -1.03 0.00 0.00 54.13 52.82 1x43 s LEU 36 Cb -0.20 -1.28 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 1x43 s LEU 36 CO 0.22 0.16 0.02 -0.76 0.23 0.00 0.00 176.35 176.22 1x43 s LEU 37 N -2.32 3.14 0.03 1.79 1.43 -1.26 0.12 118.68 121.61 1x43 s LEU 37 Ca 0.17 -0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 52.22 1x43 s LEU 37 Cb -0.09 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1x43 s LEU 37 CO 0.08 -0.10 0.96 0.00 0.23 0.00 0.00 176.35 177.52 1x43 s ALA 38 N -2.39 3.19 -0.43 4.21 0.00 -1.26 -3.68 121.76 121.41 1x43 s ALA 38 Ca 0.33 0.53 -0.03 0.00 0.00 0.00 0.00 51.96 52.80 1x43 s ALA 38 Cb -0.04 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1x43 s ALA 38 CO 0.20 -0.17 0.37 -0.25 0.00 0.00 0.00 175.76 175.91 1x43 n ASP 39 N 3.59 -3.28 -3.91 0.00 8.00 -0.83 -4.94 116.55 115.18 1x43 n ASP 39 Ca 0.05 -0.17 -0.19 0.00 0.71 0.00 0.00 54.79 55.18 1x43 n ASP 39 Cb 0.51 -1.94 -0.16 0.00 -0.02 0.00 0.00 41.12 39.51 1x43 n ASP 39 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1x43 s GLU 40 N -5.34 0.75 -0.24 -1.24 -1.05 -1.24 -4.92 118.70 105.42 1x43 s GLU 40 Ca 0.17 -0.12 -0.08 0.00 -0.15 0.00 0.00 54.97 54.79 1x43 s GLU 40 Cb -0.08 -0.76 -0.04 0.00 -0.44 0.00 0.00 34.13 32.82 1x43 s GLU 40 CO 0.23 -0.04 0.10 0.08 0.95 0.00 0.00 175.26 176.58 1x43 s VAL 41 N 0.72 4.67 0.45 1.83 1.01 -1.26 -0.08 120.40 127.74 1x43 s VAL 41 Ca -0.09 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 61.88 1x43 s VAL 41 Cb -0.13 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 1x43 s VAL 41 CO 0.00 0.34 0.02 0.27 0.00 0.00 0.00 175.10 175.74 1x43 s ILE 42 N 1.36 1.68 -0.33 2.22 -4.36 -1.05 -4.94 121.20 115.78 1x43 s ILE 42 Ca 0.06 -1.98 -0.24 0.00 -0.26 0.00 0.00 60.65 58.23 1x43 s ILE 42 Cb -0.15 -2.66 0.01 0.00 1.25 0.00 0.00 42.46 40.91 1x43 s ILE 42 CO 0.05 0.00 0.80 -0.89 0.24 0.00 0.00 174.94 175.14 1x43 s THR 43 N -2.77 4.75 -0.07 8.37 2.01 -1.26 -3.10 115.64 123.58 1x43 s THR 43 Ca 0.24 1.08 0.02 0.00 0.31 0.00 0.00 61.69 63.34 1x43 s THR 43 Cb 0.06 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 1x43 s THR 43 CO 0.12 -0.35 -0.11 0.68 -0.69 0.00 0.00 174.62 174.28 1x43 s VAL 44 N 3.07 3.36 -0.09 3.82 -7.23 0.67 -1.38 120.40 122.61 1x43 s VAL 44 Ca 0.33 -0.60 -0.14 0.00 -1.81 0.00 0.00 61.98 59.75 1x43 s VAL 44 Cb -0.14 -2.35 0.03 0.00 0.56 0.00 0.00 36.38 34.49 1x43 s VAL 44 CO 0.15 0.59 0.36 0.72 -0.31 0.00 0.00 175.10 176.61 1x43 s PHE 45 N -0.66 -0.34 0.54 2.82 -0.71 0.04 -1.24 117.98 118.43 1x43 s PHE 45 Ca 0.10 0.74 -0.16 0.00 -1.04 0.00 0.00 56.93 56.58 1x43 s PHE 45 Cb -0.11 0.13 -0.07 0.00 -1.21 0.00 0.00 43.02 41.76 1x43 s PHE 45 CO 0.01 -0.28 1.00 -1.12 -1.34 0.00 0.00 175.22 173.49 1x43 s SER 46 N -0.39 6.53 -0.06 1.98 0.01 -1.26 0.64 113.70 121.14 1x43 s SER 46 Ca -0.05 1.55 -0.05 0.00 1.31 0.00 0.00 55.95 58.71 1x43 s SER 46 Cb -0.03 -2.50 0.02 0.00 0.21 0.00 0.00 66.02 63.71 1x43 s SER 46 CO 0.02 -0.65 0.15 -0.69 0.41 0.00 0.00 173.24 172.47 1x43 s VAL 47 N -2.71 -0.01 0.12 3.43 1.01 -1.26 -4.89 120.40 116.08 1x43 s VAL 47 Ca 0.58 0.03 -0.35 0.00 0.00 0.00 0.00 61.98 62.24 1x43 s VAL 47 Cb -0.10 -0.21 -0.16 0.00 0.00 0.00 0.00 36.38 35.90 1x43 s VAL 47 CO 0.35 0.01 1.28 0.52 0.00 0.00 0.00 175.10 177.27 1x43 n VAL 48 N 3.20 0.33 -1.05 2.92 0.31 -1.26 -1.02 118.33 121.76 1x43 n VAL 48 Ca -0.15 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1x43 n VAL 48 Cb 0.58 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1x43 n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x43 n GLY 49 N 2.36 0.38 3.69 2.92 0.00 -1.26 -5.04 105.19 108.23 1x43 n GLY 49 Ca 0.17 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 1x43 n GLY 49 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x43 s MET 50 N -2.09 2.96 0.45 1.61 0.00 -0.19 -5.10 119.30 116.95 1x43 s MET 50 Ca 0.00 -0.43 -0.23 0.00 0.00 0.00 0.00 55.69 55.03 1x43 s MET 50 Cb 0.00 -2.78 -0.08 0.00 0.00 0.00 0.00 34.83 31.97 1x43 s MET 50 CO 0.00 0.69 1.16 -0.51 0.00 0.00 0.00 175.02 176.36 1x43 s ASP 51 N -1.00 6.22 0.20 1.11 1.01 -1.26 -4.90 116.67 118.06 1x43 s ASP 51 Ca 0.14 2.30 0.18 0.00 0.71 0.00 0.00 52.55 55.88 1x43 s ASP 51 Cb -0.11 -2.60 0.85 0.00 1.01 0.00 0.00 42.92 42.06 1x43 s ASP 51 CO 0.04 -0.88 1.55 -1.54 0.21 0.00 0.00 175.17 174.54 1x43 n SER 52 N -0.44 0.44 -1.64 0.27 3.41 -1.26 -1.09 113.62 113.31 1x43 n SER 52 Ca 0.07 0.65 0.09 0.00 -0.26 0.00 0.00 58.87 59.43 1x43 n SER 52 Cb 0.48 -0.73 0.37 0.00 -0.26 0.00 0.00 64.21 64.07 1x43 n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1x43 n ASP 53 N -2.03 4.90 -3.67 4.04 8.00 -1.26 -4.83 116.55 121.69 1x43 n ASP 53 Ca 0.01 -2.48 -0.09 0.00 0.71 0.00 0.00 54.79 52.94 1x43 n ASP 53 Cb 0.12 -0.59 -0.10 0.00 -0.02 0.00 0.00 41.12 40.52 1x43 n ASP 53 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1x43 s TRP 54 N -1.90 -0.72 0.43 1.24 0.52 -0.25 -2.97 118.94 115.29 1x43 s TRP 54 Ca 0.52 1.44 0.07 0.00 0.02 0.00 0.00 56.10 58.15 1x43 s TRP 54 Cb 0.34 0.30 -0.04 0.00 -1.15 0.00 0.00 33.47 32.92 1x43 s TRP 54 CO 0.25 -0.42 0.19 -0.51 0.02 0.00 0.00 176.95 176.48 1x43 s LEU 55 N 1.98 3.02 -0.60 2.99 1.43 0.67 -4.25 118.68 123.92 1x43 s LEU 55 Ca -0.06 -1.14 -0.22 0.00 -1.03 0.00 0.00 54.13 51.68 1x43 s LEU 55 Cb -0.10 -1.36 0.07 0.00 0.03 0.00 0.00 46.19 44.83 1x43 s LEU 55 CO -0.13 -0.62 0.86 -0.32 0.23 0.00 0.00 176.35 176.37 1x43 s MET 56 N -3.94 3.15 -0.12 1.70 1.75 0.21 -0.28 119.30 121.77 1x43 s MET 56 Ca 0.38 -0.80 -0.09 0.00 -1.25 0.00 0.00 55.69 53.92 1x43 s MET 56 Cb 0.03 -4.18 -0.04 0.00 2.84 0.00 0.00 34.83 33.48 1x43 s MET 56 CO 0.21 -1.61 0.20 0.20 -0.65 0.00 0.00 175.02 173.37 1x43 s GLY 57 N 3.34 2.20 -0.29 2.11 0.00 -0.67 -0.78 107.32 113.22 1x43 s GLY 57 Ca 0.21 -0.56 -0.01 0.00 0.00 0.00 0.00 44.72 44.36 1x43 s GLY 57 CO 0.12 -0.12 -0.02 1.85 0.00 0.00 0.00 173.10 174.92 1x43 s GLU 58 N -0.65 2.38 0.03 2.90 2.12 -0.48 -2.17 118.70 122.83 1x43 s GLU 58 Ca 0.15 -1.30 0.00 0.00 0.36 0.00 0.00 54.97 54.19 1x43 s GLU 58 Cb -0.13 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 1x43 s GLU 58 CO 0.04 -0.62 -0.04 0.50 -0.54 0.00 0.00 175.26 174.61 1x43 s ARG 59 N 1.22 0.43 -1.04 4.30 3.52 -0.92 -4.03 118.95 122.43 1x43 s ARG 59 Ca -0.06 -0.80 -0.20 0.00 -0.13 0.00 0.00 55.73 54.54 1x43 s ARG 59 Cb -0.20 0.06 0.03 0.00 -1.56 0.00 0.00 34.95 33.27 1x43 s ARG 59 CO -0.02 -0.05 0.65 0.41 -0.81 0.00 0.00 175.30 175.48 1x43 n GLY 60 N 1.17 -1.05 4.14 8.12 0.00 -1.26 0.39 105.19 116.70 1x43 n GLY 60 Ca -0.21 0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 1x43 n GLY 60 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x43 n ASN 61 N -2.36 -1.61 -3.74 1.61 2.85 -1.26 -4.86 115.26 105.89 1x43 n ASN 61 Ca -0.20 -1.03 -0.17 0.00 -0.11 0.00 0.00 54.58 53.06 1x43 n ASN 61 Cb 0.62 -1.42 -0.09 0.00 1.24 0.00 0.00 39.78 40.13 1x43 n ASN 61 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1x43 s GLN 62 N -6.54 1.58 -0.05 1.20 -0.21 0.16 -5.18 119.66 110.62 1x43 s GLN 62 Ca 0.71 -1.90 -0.14 0.00 0.02 0.00 0.00 55.36 54.05 1x43 s GLN 62 Cb -0.42 0.19 0.03 0.00 1.00 0.00 0.00 33.01 33.81 1x43 s GLN 62 CO 0.87 -0.53 0.32 0.15 -2.12 0.00 0.00 175.29 173.99 1x43 s LYS 63 N -3.73 0.59 0.02 2.91 1.02 -1.26 -2.16 119.74 117.14 1x43 s LYS 63 Ca 0.39 0.02 -0.09 0.00 0.02 0.00 0.00 55.97 56.31 1x43 s LYS 63 Cb 0.04 0.27 0.03 0.00 -0.52 0.00 0.00 37.83 37.65 1x43 s LYS 63 CO 0.21 -0.14 0.41 0.41 -0.92 0.00 0.00 175.35 175.31 1x43 n GLY 64 N 1.78 0.75 3.67 -3.33 0.00 -0.92 -4.84 105.19 102.28 1x43 n GLY 64 Ca -0.19 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 1x43 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x43 s LYS 65 N -2.01 4.22 -0.09 1.61 1.02 0.13 -1.67 119.74 122.94 1x43 s LYS 65 Ca 0.09 0.52 0.01 0.00 0.02 0.00 0.00 55.97 56.62 1x43 s LYS 65 Cb -0.01 -3.56 -0.02 0.00 -0.52 0.00 0.00 37.83 33.73 1x43 s LYS 65 CO 0.01 -0.17 -0.13 0.14 -0.92 0.00 0.00 175.35 174.28 1x43 s VAL 66 N 1.68 3.11 -0.05 3.17 -7.23 0.61 -3.27 120.40 118.41 1x43 s VAL 66 Ca 0.27 -0.67 -0.30 0.00 -1.81 0.00 0.00 61.98 59.47 1x43 s VAL 66 Cb -0.16 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.47 1x43 s VAL 66 CO 0.10 0.55 1.50 -2.16 -0.31 0.00 0.00 175.10 174.78 1x43 s PRO 67 N -0.15 4.22 0.36 4.82 0.04 -1.26 -0.24 135.00 142.80 1x43 s PRO 67 Ca -0.00 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.11 1x43 s PRO 67 Cb -0.13 -3.79 0.70 0.00 0.04 0.00 0.00 34.50 31.31 1x43 s PRO 67 CO 0.03 -0.73 1.94 0.82 0.04 0.00 0.00 177.00 179.10 1x43 h ILE 68 N 5.32 1.17 -0.13 0.56 5.03 -1.85 -1.82 117.51 125.77 1x43 h ILE 68 Ca -0.36 -0.59 0.04 0.00 -0.12 0.00 0.00 64.86 63.82 1x43 h ILE 68 Cb 1.16 0.82 -0.01 0.00 -3.03 0.00 0.00 36.82 35.77 1x43 h ILE 68 CO 0.94 0.21 0.19 0.71 -0.68 0.00 0.00 178.15 179.52 1x43 h THR 69 N 0.50 0.36 0.00 -0.27 1.35 -1.91 0.21 112.91 113.15 1x43 h THR 69 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1x43 h THR 69 Cb 0.21 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1x43 h THR 69 CO -0.00 0.00 -1.15 -1.22 -0.25 0.00 0.00 175.52 172.90 1x43 n TYR 70 N -3.60 0.17 -4.11 4.73 4.02 -0.70 -4.91 117.16 112.75 1x43 n TYR 70 Ca 0.00 0.05 -0.34 0.00 -0.01 0.00 0.00 57.90 57.61 1x43 n TYR 70 Cb 0.29 -0.36 -0.07 0.00 -0.02 0.00 0.00 39.34 39.19 1x43 n TYR 70 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1x43 s LEU 71 N -3.81 3.93 -0.58 7.72 1.43 0.72 -0.40 118.68 127.68 1x43 s LEU 71 Ca 0.03 0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.37 1x43 s LEU 71 Cb 0.15 -2.20 0.16 0.00 0.03 0.00 0.00 46.19 44.33 1x43 s LEU 71 CO 0.83 0.30 0.39 -0.70 0.23 0.00 0.00 176.35 177.40 1x43 s GLU 72 N -1.53 1.95 -0.45 1.70 2.12 -0.85 -4.86 118.70 116.78 1x43 s GLU 72 Ca 0.21 -2.82 -0.44 0.00 0.36 0.00 0.00 54.97 52.28 1x43 s GLU 72 Cb -0.12 -2.93 -0.18 0.00 0.26 0.00 0.00 34.13 31.16 1x43 s GLU 72 CO 0.11 -1.25 1.87 1.28 -0.54 0.00 0.00 175.26 176.73 1x43 n LEU 73 N 2.56 1.32 -4.83 2.70 4.77 -1.26 -3.49 117.00 118.78 1x43 n LEU 73 Ca 0.17 0.92 -0.33 0.00 -0.03 0.00 0.00 56.01 56.74 1x43 n LEU 73 Cb 0.36 -0.96 -0.04 0.00 -2.33 0.00 0.00 43.42 40.45 1x43 n LEU 73 CO 0.25 -0.74 0.68 -0.76 -1.33 0.00 0.00 177.39 175.49 1x43 s LEU 74 N 4.56 3.74 -0.57 2.23 1.43 -1.20 -4.98 118.68 123.89 1x43 s LEU 74 Ca 1.10 1.67 0.03 0.00 -1.03 0.00 0.00 54.13 55.90 1x43 s LEU 74 Cb -1.37 -4.53 0.14 0.00 0.03 0.00 0.00 46.19 40.46 1x43 s LEU 74 CO 0.71 -0.59 0.33 0.20 0.23 0.00 0.00 176.35 177.22 1x43 s ASN 75 N -2.64 4.53 0.13 2.29 0.01 -1.26 -4.95 114.94 113.05 1x43 s ASN 75 Ca 0.61 -3.18 0.06 0.00 -0.71 0.00 0.00 52.86 49.64 1x43 s ASN 75 Cb -0.11 -1.67 -0.04 0.00 0.41 0.00 0.00 41.25 39.85 1x43 s ASN 75 CO 0.25 -0.21 -0.13 -0.55 -1.51 0.00 0.00 177.10 174.94 1x43 s SER 76 N -0.42 1.97 0.39 -1.22 0.15 -1.26 -5.14 113.70 108.17 1x43 s SER 76 Ca 0.19 -0.84 -0.24 0.00 0.70 0.00 0.00 55.95 55.76 1x43 s SER 76 Cb -0.21 -0.06 -0.09 0.00 -1.71 0.00 0.00 66.02 63.94 1x43 s SER 76 CO -0.04 -0.17 1.01 -0.83 1.20 0.00 0.00 173.24 174.41 1x43 s GLY 77 N -2.58 2.68 -0.21 9.45 0.00 -1.26 -4.98 107.32 110.43 1x43 s GLY 77 Ca 0.10 0.61 -0.29 0.00 0.00 0.00 0.00 44.72 45.14 1x43 s GLY 77 CO 0.03 1.01 1.60 2.56 0.00 0.00 0.00 173.10 178.30 1x43 s PRO 78 N -2.56 3.84 -0.23 2.90 0.04 -1.26 -4.98 135.00 132.76 1x43 s PRO 78 Ca 0.57 1.70 -0.25 0.00 0.04 0.00 0.00 61.00 63.06 1x43 s PRO 78 Cb -0.19 -4.02 -0.01 0.00 0.04 0.00 0.00 34.50 30.33 1x43 s PRO 78 CO 0.24 -1.24 0.83 -1.12 0.04 0.00 0.00 177.00 175.75 1x43 s SER 79 N 4.06 6.86 -0.18 6.66 0.01 -1.26 -5.03 113.70 124.82 1x43 s SER 79 Ca 0.71 1.06 -0.13 0.00 1.31 0.00 0.00 55.95 58.90 1x43 s SER 79 Cb -0.25 -2.44 0.05 0.00 0.21 0.00 0.00 66.02 63.59 1x43 s SER 79 CO 0.29 -0.49 0.45 -0.55 0.41 0.00 0.00 173.24 173.34 1x43 s SER 80 N 1.30 -0.53 0.00 2.44 0.15 -1.26 -5.31 113.70 110.50 1x43 s SER 80 Ca 0.35 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.95 1x43 s SER 80 Cb -0.15 0.88 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 1x43 s SER 80 CO 0.08 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.95