#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 -0.48 -0.30 1.61 1.04 -1.26 -5.16 113.70 109.15 1x43 s SER 2 Ca 0.00 0.10 -0.15 0.00 0.48 0.00 0.00 55.95 56.39 1x43 s SER 2 Cb 0.00 0.53 0.16 0.00 0.10 0.00 0.00 66.02 66.81 1x43 s SER 2 CO 0.00 -0.82 0.94 -0.94 0.98 0.00 0.00 173.24 173.40 1x43 s SER 3 N -2.28 -0.64 0.49 7.02 1.04 -1.26 -5.15 113.70 112.91 1x43 s SER 3 Ca -0.02 0.91 -0.14 0.00 0.48 0.00 0.00 55.95 57.18 1x43 s SER 3 Cb -0.00 1.66 -0.12 0.00 0.10 0.00 0.00 66.02 67.66 1x43 s SER 3 CO -0.06 -0.13 -0.23 0.61 0.98 0.00 0.00 173.24 174.41 1x43 n GLY 4 N 4.80 -2.77 3.60 7.32 0.00 -1.26 -4.99 105.19 111.89 1x43 n GLY 4 Ca -0.11 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 1x43 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x43 s SER 5 N -0.77 -0.20 0.36 1.61 0.15 -1.26 -5.16 113.70 108.44 1x43 s SER 5 Ca 0.41 0.14 -0.26 0.00 0.70 0.00 0.00 55.95 56.94 1x43 s SER 5 Cb -0.32 0.18 -0.09 0.00 -1.71 0.00 0.00 66.02 64.07 1x43 s SER 5 CO 0.54 -0.23 1.10 -0.44 1.20 0.00 0.00 173.24 175.41 1x43 s SER 6 N -1.48 6.87 0.00 5.45 0.01 -1.26 -5.02 113.70 118.27 1x43 s SER 6 Ca 0.05 2.19 0.00 0.00 1.31 0.00 0.00 55.95 59.51 1x43 s SER 6 Cb -0.01 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1x43 s SER 6 CO -0.04 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1x43 n GLY 7 N 0.70 1.28 2.96 3.44 0.00 -1.26 -5.17 105.19 107.15 1x43 n GLY 7 Ca 0.03 0.40 -0.21 0.00 0.00 0.00 0.00 46.02 46.24 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 1.60 -0.98 0.99 1.43 -1.26 -5.08 118.68 115.38 1x43 s LEU 8 Ca 0.00 -0.17 -0.24 0.00 -1.03 0.00 0.00 54.13 52.69 1x43 s LEU 8 Cb 0.00 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.69 1x43 s LEU 8 CO 0.00 0.01 1.69 0.21 0.23 0.00 0.00 176.35 178.50 1x43 s ASN 9 N 0.52 5.87 -0.30 2.29 2.47 -1.26 -4.76 114.94 119.77 1x43 s ASN 9 Ca -0.08 -1.14 -0.06 0.00 0.42 0.00 0.00 52.86 52.00 1x43 s ASN 9 Cb -0.12 -2.57 0.17 0.00 -1.45 0.00 0.00 41.25 37.28 1x43 s ASN 9 CO 0.01 -2.09 0.67 -0.62 -3.72 0.00 0.00 177.10 171.35 1x43 s ASP 10 N 6.35 -1.20 -1.15 -4.21 2.15 -1.26 -4.95 116.67 112.40 1x43 s ASP 10 Ca 0.57 1.09 -0.08 0.00 0.43 0.00 0.00 52.55 54.56 1x43 s ASP 10 Cb -0.03 2.14 0.08 0.00 -0.30 0.00 0.00 42.92 44.82 1x43 s ASP 10 CO -0.05 -0.23 0.21 0.18 -0.17 0.00 0.00 175.17 175.11 1x43 n LEU 11 N 5.41 -0.60 -0.07 -1.34 4.77 -1.26 -4.79 117.00 119.13 1x43 n LEU 11 Ca -0.06 -0.84 -0.09 0.00 -0.03 0.00 0.00 56.01 54.99 1x43 n LEU 11 Cb 0.51 -1.06 -0.05 0.00 -2.33 0.00 0.00 43.42 40.48 1x43 n LEU 11 CO -0.01 0.19 -0.16 0.50 -1.33 0.00 0.00 177.39 176.58 1x43 h LYS 12 N -0.71 0.00 -6.22 3.23 3.11 -1.92 -3.48 116.57 110.57 1x43 h LYS 12 Ca -0.42 0.00 -0.55 0.00 -2.81 0.00 0.00 60.65 56.88 1x43 h LYS 12 Cb 0.93 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 32.08 1x43 h LYS 12 CO 0.54 0.41 -0.60 -1.83 -2.81 0.00 0.00 179.45 175.16 1x43 s GLU 13 N -2.08 2.60 -0.57 1.90 -1.05 -1.26 -5.08 118.70 113.16 1x43 s GLU 13 Ca -0.15 -1.19 0.06 0.00 -0.15 0.00 0.00 54.97 53.55 1x43 s GLU 13 Cb 0.01 -2.38 0.22 0.00 -0.44 0.00 0.00 34.13 31.54 1x43 s GLU 13 CO 0.33 0.40 0.60 0.43 0.95 0.00 0.00 175.26 177.98 1x43 n SER 14 N -0.84 2.37 -4.08 0.83 7.64 -1.26 -5.07 113.62 113.21 1x43 n SER 14 Ca -0.08 -3.12 -0.10 0.00 1.01 0.00 0.00 58.87 56.58 1x43 n SER 14 Cb 0.58 -0.67 -0.11 0.00 -1.01 0.00 0.00 64.21 63.00 1x43 n SER 14 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x43 s SER 15 N -1.72 0.70 -0.36 6.43 0.01 -1.26 -5.13 113.70 112.37 1x43 s SER 15 Ca 0.35 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1x43 s SER 15 Cb 0.10 0.11 0.12 0.00 0.21 0.00 0.00 66.02 66.56 1x43 s SER 15 CO -0.09 -0.39 0.18 0.20 0.41 0.00 0.00 173.24 173.55 1x43 s ASN 16 N -2.26 3.60 0.51 2.44 0.01 -1.26 -5.12 114.94 112.85 1x43 s ASN 16 Ca -0.02 -2.07 0.03 0.00 -0.71 0.00 0.00 52.86 50.09 1x43 s ASN 16 Cb -0.02 -0.76 -0.01 0.00 0.41 0.00 0.00 41.25 40.88 1x43 s ASN 16 CO -0.04 -0.34 0.09 0.20 -1.51 0.00 0.00 177.10 175.50 1x43 s ASN 17 N 1.11 4.23 0.47 -1.22 0.01 -1.26 -5.14 114.94 113.13 1x43 s ASN 17 Ca 0.14 -1.53 -0.03 0.00 -0.71 0.00 0.00 52.86 50.73 1x43 s ASN 17 Cb -0.21 0.40 -0.02 0.00 0.41 0.00 0.00 41.25 41.83 1x43 s ASN 17 CO -0.11 -0.86 0.74 -0.13 -1.51 0.00 0.00 177.10 175.22 1x43 s ARG 18 N -3.95 3.31 -0.02 -0.60 1.81 -0.75 -4.93 118.95 113.83 1x43 s ARG 18 Ca 0.15 -0.09 0.04 0.00 -1.72 0.00 0.00 55.73 54.11 1x43 s ARG 18 Cb 0.01 -2.45 -0.00 0.00 -0.45 0.00 0.00 34.95 32.06 1x43 s ARG 18 CO 0.08 -0.25 -0.13 0.15 -0.68 0.00 0.00 175.30 174.48 1x43 s LYS 19 N -4.67 1.21 -0.02 3.54 -0.14 -1.26 -0.56 119.74 117.84 1x43 s LYS 19 Ca 0.47 -0.46 -0.03 0.00 -1.36 0.00 0.00 55.97 54.60 1x43 s LYS 19 Cb -0.10 -1.13 0.00 0.00 -1.68 0.00 0.00 37.83 34.93 1x43 s LYS 19 CO 0.42 0.23 0.07 0.00 -0.76 0.00 0.00 175.35 175.31 1x43 s ALA 20 N -0.09 -0.16 -0.14 5.17 0.00 -1.15 -3.35 121.76 122.05 1x43 s ALA 20 Ca 0.01 0.08 -0.18 0.00 0.00 0.00 0.00 51.96 51.86 1x43 s ALA 20 Cb -0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1x43 s ALA 20 CO 0.00 -0.07 0.49 0.50 0.00 0.00 0.00 175.76 176.69 1x43 s ARG 21 N -0.29 4.31 0.32 0.00 3.00 -1.18 -2.61 118.95 122.50 1x43 s ARG 21 Ca -0.03 0.45 -0.28 0.00 -1.00 0.00 0.00 55.73 54.86 1x43 s ARG 21 Cb -0.02 -3.47 -0.09 0.00 0.00 0.00 0.00 34.95 31.36 1x43 s ARG 21 CO 0.00 0.08 1.16 0.08 0.00 0.00 0.00 175.30 176.62 1x43 s VAL 22 N 0.88 3.26 -0.16 7.11 1.01 0.81 -0.72 120.40 132.59 1x43 s VAL 22 Ca 0.26 1.20 0.16 0.00 0.00 0.00 0.00 61.98 63.60 1x43 s VAL 22 Cb -0.15 -3.74 -0.24 0.00 0.00 0.00 0.00 36.38 32.24 1x43 s VAL 22 CO 0.10 0.24 0.21 0.18 0.00 0.00 0.00 175.10 175.83 1x43 n LEU 23 N 0.79 0.27 -3.82 3.92 4.77 0.87 -2.20 117.00 121.60 1x43 n LEU 23 Ca 0.01 0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 1x43 n LEU 23 Cb 0.45 0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 41.83 1x43 n LEU 23 CO 0.54 0.48 -0.10 -0.31 -1.33 0.00 0.00 177.39 176.67 1x43 s TYR 24 N -2.52 -0.10 -0.13 -1.77 1.51 -1.26 -4.62 117.35 108.47 1x43 s TYR 24 Ca -0.09 0.19 -0.29 0.00 -1.01 0.00 0.00 57.07 55.87 1x43 s TYR 24 Cb 0.07 0.03 -0.05 0.00 -0.11 0.00 0.00 41.96 41.90 1x43 s TYR 24 CO 0.83 -0.27 1.74 -0.51 -1.11 0.00 0.00 175.55 176.23 1x43 s ASP 25 N -0.93 6.38 0.10 2.29 1.11 -1.26 -4.41 116.67 119.95 1x43 s ASP 25 Ca -0.10 2.00 0.01 0.00 0.18 0.00 0.00 52.55 54.64 1x43 s ASP 25 Cb -0.05 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 1x43 s ASP 25 CO 0.02 -1.20 0.25 -0.47 1.18 0.00 0.00 175.17 174.95 1x43 s TYR 26 N 5.05 3.50 -0.29 4.23 5.04 0.17 -4.89 117.35 130.17 1x43 s TYR 26 Ca 0.78 0.21 0.02 0.00 -2.44 0.00 0.00 57.07 55.64 1x43 s TYR 26 Cb -0.31 -1.74 0.08 0.00 0.35 0.00 0.00 41.96 40.34 1x43 s TYR 26 CO 0.32 0.55 -0.00 0.34 -1.34 0.00 0.00 175.55 175.41 1x43 s ASP 27 N -2.81 4.36 0.21 4.32 -1.08 -1.26 -0.47 116.67 119.94 1x43 s ASP 27 Ca 0.35 -1.68 -0.32 0.00 -0.52 0.00 0.00 52.55 50.38 1x43 s ASP 27 Cb -0.12 -1.39 -0.14 0.00 -1.46 0.00 0.00 42.92 39.81 1x43 s ASP 27 CO 0.28 -0.31 1.37 0.00 0.52 0.00 0.00 175.17 177.03 1x43 n ALA 28 N 4.48 0.61 0.06 3.66 0.00 -1.25 -4.90 120.51 123.16 1x43 n ALA 28 Ca -0.05 0.43 -0.15 0.00 0.00 0.00 0.00 53.44 53.68 1x43 n ALA 28 Cb 0.43 -2.22 -0.14 0.00 0.00 0.00 0.00 19.45 17.52 1x43 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x43 h ALA 29 N 4.26 0.32 -2.29 0.00 0.00 -1.92 -3.47 119.26 116.16 1x43 h ALA 29 Ca -0.45 -1.12 -0.31 0.00 0.00 0.00 0.00 54.91 53.04 1x43 h ALA 29 Cb 1.29 0.25 -0.15 0.00 0.00 0.00 0.00 17.79 19.19 1x43 h ALA 29 CO 0.76 1.19 -0.65 0.54 0.00 0.00 0.00 179.25 181.09 1x43 s ASN 30 N -6.88 1.24 0.14 0.00 6.03 -1.26 -5.04 114.94 109.17 1x43 s ASN 30 Ca -0.08 -1.23 -0.31 0.00 -1.03 0.00 0.00 52.86 50.22 1x43 s ASN 30 Cb 0.07 0.12 -0.07 0.00 -3.03 0.00 0.00 41.25 38.34 1x43 s ASN 30 CO 0.85 -0.60 1.55 -1.28 -2.03 0.00 0.00 177.10 175.59 1x43 h SER 31 N 2.61 -1.79 -1.31 3.54 0.87 -1.99 0.26 113.55 115.73 1x43 h SER 31 Ca -0.37 0.25 0.47 0.00 -1.23 0.00 0.00 61.79 60.90 1x43 h SER 31 Cb 1.22 0.75 -0.14 0.00 -0.44 0.00 0.00 62.40 63.79 1x43 h SER 31 CO 0.62 -0.38 0.83 0.35 -0.53 0.00 0.00 176.83 177.72 1x43 n THR 32 N -5.38 -0.28 -3.00 2.23 -2.24 -1.26 -4.32 114.28 100.04 1x43 n THR 32 Ca -0.02 1.82 -0.30 0.00 -2.27 0.00 0.00 64.05 63.28 1x43 n THR 32 Cb 0.34 -2.98 -0.04 0.00 -2.10 0.00 0.00 70.33 65.55 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 -5.27 3.78 0.10 -0.78 2.02 0.91 0.66 118.70 120.12 1x43 s GLU 33 Ca -0.08 0.41 0.10 0.00 0.02 0.00 0.00 54.97 55.42 1x43 s GLU 33 Cb 0.31 -2.45 -0.03 0.00 0.10 0.00 0.00 34.13 32.06 1x43 s GLU 33 CO 0.81 0.05 -0.25 -0.51 0.02 0.00 0.00 175.26 175.37 1x43 s LEU 34 N -3.64 2.27 0.31 1.80 1.43 -1.09 -4.69 118.68 115.06 1x43 s LEU 34 Ca 0.50 -0.67 -0.27 0.00 -1.03 0.00 0.00 54.13 52.66 1x43 s LEU 34 Cb -0.10 -1.12 -0.10 0.00 0.03 0.00 0.00 46.19 44.90 1x43 s LEU 34 CO 0.29 0.16 0.95 -0.44 0.23 0.00 0.00 176.35 177.54 1x43 s SER 35 N -1.75 7.40 0.17 2.29 0.01 -1.26 -3.93 113.70 116.64 1x43 s SER 35 Ca 0.11 1.87 0.08 0.00 1.31 0.00 0.00 55.95 59.31 1x43 s SER 35 Cb -0.10 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 1x43 s SER 35 CO 0.04 -0.02 -0.16 -0.76 0.41 0.00 0.00 173.24 172.75 1x43 s LEU 36 N -1.86 2.48 0.35 2.44 1.43 0.38 -4.93 118.68 118.97 1x43 s LEU 36 Ca 0.48 -0.91 0.09 0.00 -1.03 0.00 0.00 54.13 52.76 1x43 s LEU 36 Cb -0.20 -0.72 -0.06 0.00 0.03 0.00 0.00 46.19 45.23 1x43 s LEU 36 CO 0.26 -0.10 -0.05 -0.76 0.23 0.00 0.00 176.35 175.92 1x43 s LEU 37 N -2.87 2.83 0.01 1.79 1.43 -1.26 0.46 118.68 121.07 1x43 s LEU 37 Ca 0.17 -1.15 -0.27 0.00 -1.03 0.00 0.00 54.13 51.85 1x43 s LEU 37 Cb -0.04 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 1x43 s LEU 37 CO 0.06 -0.24 0.84 0.00 0.23 0.00 0.00 176.35 177.24 1x43 s ALA 38 N -2.59 3.28 -0.56 4.21 0.00 -1.26 -3.83 121.76 121.01 1x43 s ALA 38 Ca 0.34 0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.63 1x43 s ALA 38 Cb 0.02 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1x43 s ALA 38 CO 0.18 -0.08 0.48 -0.25 0.00 0.00 0.00 175.76 176.09 1x43 n ASP 39 N 3.37 -3.41 -3.88 0.00 9.92 -0.94 -4.94 116.55 116.68 1x43 n ASP 39 Ca 0.01 -0.24 -0.18 0.00 -0.53 0.00 0.00 54.79 53.86 1x43 n ASP 39 Cb 0.51 -2.42 -0.16 0.00 -0.64 0.00 0.00 41.12 38.40 1x43 n ASP 39 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1x43 s GLU 40 N -5.31 0.55 -0.21 -1.24 -1.05 -1.25 -4.92 118.70 105.26 1x43 s GLU 40 Ca 0.19 -0.05 -0.07 0.00 -0.15 0.00 0.00 54.97 54.89 1x43 s GLU 40 Cb -0.08 -0.62 -0.03 0.00 -0.44 0.00 0.00 34.13 32.96 1x43 s GLU 40 CO 0.31 -0.06 0.05 0.08 0.95 0.00 0.00 175.26 176.58 1x43 s VAL 41 N 0.75 4.39 0.45 1.83 1.01 -1.26 -0.13 120.40 127.44 1x43 s VAL 41 Ca -0.09 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1x43 s VAL 41 Cb -0.12 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1x43 s VAL 41 CO -0.01 0.41 0.05 0.27 0.00 0.00 0.00 175.10 175.82 1x43 s ILE 42 N 0.96 1.10 -0.26 2.22 -4.36 -1.07 -4.93 121.20 114.85 1x43 s ILE 42 Ca 0.03 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.19 1x43 s ILE 42 Cb -0.14 -2.38 -0.01 0.00 1.25 0.00 0.00 42.46 41.19 1x43 s ILE 42 CO 0.03 0.00 0.79 -0.89 0.24 0.00 0.00 174.94 175.10 1x43 s THR 43 N -2.99 4.85 -0.03 8.37 2.01 -1.26 -2.93 115.64 123.66 1x43 s THR 43 Ca 0.17 1.41 0.07 0.00 0.31 0.00 0.00 61.69 63.66 1x43 s THR 43 Cb 0.04 -4.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 1x43 s THR 43 CO 0.09 -0.10 -0.25 0.68 -0.69 0.00 0.00 174.62 174.36 1x43 s VAL 44 N 2.81 2.00 -0.07 3.82 -7.23 0.28 -1.88 120.40 120.14 1x43 s VAL 44 Ca 0.33 -1.07 -0.15 0.00 -1.81 0.00 0.00 61.98 59.28 1x43 s VAL 44 Cb -0.15 -1.67 0.03 0.00 0.56 0.00 0.00 36.38 35.15 1x43 s VAL 44 CO 0.09 0.56 0.36 0.72 -0.31 0.00 0.00 175.10 176.52 1x43 s PHE 45 N -0.45 -0.31 0.66 2.82 -0.71 -0.48 -1.81 117.98 117.70 1x43 s PHE 45 Ca 0.06 0.62 -0.11 0.00 -1.04 0.00 0.00 56.93 56.45 1x43 s PHE 45 Cb -0.11 0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.82 1x43 s PHE 45 CO 0.00 -0.34 1.05 0.45 -1.34 0.00 0.00 175.22 175.05 1x43 s SER 46 N -0.74 5.89 -0.09 1.98 0.15 -1.26 0.67 113.70 120.29 1x43 s SER 46 Ca -0.08 1.34 -0.10 0.00 0.70 0.00 0.00 55.95 57.81 1x43 s SER 46 Cb -0.04 -2.30 0.03 0.00 -1.71 0.00 0.00 66.02 62.00 1x43 s SER 46 CO 0.03 -1.08 0.28 -0.69 1.20 0.00 0.00 173.24 172.98 1x43 s VAL 47 N -3.22 0.01 -0.13 4.45 1.01 -1.26 -4.88 120.40 116.38 1x43 s VAL 47 Ca 0.56 -0.08 -0.38 0.00 0.00 0.00 0.00 61.98 62.08 1x43 s VAL 47 Cb -0.11 -0.43 -0.16 0.00 0.00 0.00 0.00 36.38 35.68 1x43 s VAL 47 CO 0.53 -0.04 1.60 0.52 0.00 0.00 0.00 175.10 177.71 1x43 n VAL 48 N 2.69 0.20 -0.67 2.92 0.31 -1.26 -0.23 118.33 122.28 1x43 n VAL 48 Ca -0.14 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1x43 n VAL 48 Cb 0.58 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 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 3.58 0.63 3.87 2.92 0.00 -1.26 -5.05 105.19 109.87 1x43 n GLY 49 Ca 0.23 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.76 3.60 0.50 1.61 0.00 0.68 -5.08 119.30 119.85 1x43 s MET 50 Ca 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 55.69 55.52 1x43 s MET 50 Cb 0.00 -3.17 -0.07 0.00 0.00 0.00 0.00 34.83 31.59 1x43 s MET 50 CO 0.00 0.72 1.10 -0.51 0.00 0.00 0.00 175.02 176.33 1x43 s ASP 51 N -1.21 6.06 0.24 1.11 1.11 -1.26 -4.90 116.67 117.82 1x43 s ASP 51 Ca 0.20 2.10 0.21 0.00 0.18 0.00 0.00 52.55 55.24 1x43 s ASP 51 Cb -0.14 -2.58 0.96 0.00 1.07 0.00 0.00 42.92 42.24 1x43 s ASP 51 CO 0.10 -0.98 1.65 -1.54 1.18 0.00 0.00 175.17 175.57 1x43 n SER 52 N -1.01 0.56 -1.58 0.27 3.41 -1.26 -1.42 113.62 112.58 1x43 n SER 52 Ca 0.10 0.67 0.09 0.00 -0.26 0.00 0.00 58.87 59.47 1x43 n SER 52 Cb 0.51 -0.78 0.36 0.00 -0.26 0.00 0.00 64.21 64.04 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 -2.15 4.91 -3.68 4.04 9.92 -1.26 -4.82 116.55 123.50 1x43 n ASP 53 Ca 0.01 -2.62 -0.10 0.00 -0.53 0.00 0.00 54.79 51.56 1x43 n ASP 53 Cb 0.16 -0.59 -0.10 0.00 -0.64 0.00 0.00 41.12 39.95 1x43 n ASP 53 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1x43 s TRP 54 N -2.16 -0.70 0.48 1.24 0.52 -0.51 -2.95 118.94 114.86 1x43 s TRP 54 Ca 0.51 1.43 0.04 0.00 0.02 0.00 0.00 56.10 58.10 1x43 s TRP 54 Cb 0.35 0.32 -0.02 0.00 -1.15 0.00 0.00 33.47 32.96 1x43 s TRP 54 CO 0.21 -0.39 0.13 -0.51 0.02 0.00 0.00 176.95 176.40 1x43 s LEU 55 N 1.67 2.67 -0.57 2.99 1.43 0.51 -4.21 118.68 123.17 1x43 s LEU 55 Ca -0.08 -1.39 -0.19 0.00 -1.03 0.00 0.00 54.13 51.44 1x43 s LEU 55 Cb -0.09 -1.02 0.09 0.00 0.03 0.00 0.00 46.19 45.20 1x43 s LEU 55 CO -0.14 -0.76 0.70 -0.32 0.23 0.00 0.00 176.35 176.06 1x43 s MET 56 N -3.94 3.07 0.16 1.70 1.75 0.21 -0.40 119.30 121.85 1x43 s MET 56 Ca 0.25 -1.16 -0.07 0.00 -1.25 0.00 0.00 55.69 53.46 1x43 s MET 56 Cb 0.03 -4.22 -0.06 0.00 2.84 0.00 0.00 34.83 33.42 1x43 s MET 56 CO 0.14 -1.47 0.43 0.20 -0.65 0.00 0.00 175.02 173.66 1x43 s GLY 57 N 3.37 2.26 -0.19 2.11 0.00 0.15 -1.38 107.32 113.64 1x43 s GLY 57 Ca 0.13 -0.45 -0.04 0.00 0.00 0.00 0.00 44.72 44.36 1x43 s GLY 57 CO 0.08 -0.33 0.06 1.85 0.00 0.00 0.00 173.10 174.76 1x43 s GLU 58 N -2.60 0.39 -0.22 2.90 2.12 -0.79 -1.96 118.70 118.54 1x43 s GLU 58 Ca 0.42 -0.28 -0.03 0.00 0.36 0.00 0.00 54.97 55.44 1x43 s GLU 58 Cb -0.12 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 32.29 1x43 s GLU 58 CO 0.23 -0.66 -0.07 0.50 -0.54 0.00 0.00 175.26 174.71 1x43 s ARG 59 N 1.98 3.19 3.70 4.30 3.52 -1.05 -4.05 118.95 130.55 1x43 s ARG 59 Ca 0.00 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.87 1x43 s ARG 59 Cb -0.17 -2.93 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 1x43 s ARG 59 CO -0.09 -0.25 0.00 0.41 -0.81 0.00 0.00 175.30 174.57 1x43 n GLY 60 N 4.74 1.12 2.22 8.12 0.00 -1.26 -0.96 105.19 119.17 1x43 n GLY 60 Ca -0.18 0.55 -0.27 0.00 0.00 0.00 0.00 46.02 46.12 1x43 n GLY 60 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x43 n ASN 61 N 8.53 5.25 -4.11 1.61 4.13 -1.26 -5.02 115.26 124.40 1x43 n ASN 61 Ca 0.00 -3.75 -0.10 0.00 1.68 0.00 0.00 54.58 52.41 1x43 n ASN 61 Cb 0.00 -0.47 -0.09 0.00 -1.54 0.00 0.00 39.78 37.68 1x43 n ASN 61 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1x43 s GLN 62 N -3.63 1.02 -0.08 3.52 -0.21 -0.13 -5.18 119.66 114.97 1x43 s GLN 62 Ca 0.52 -1.39 -0.19 0.00 0.02 0.00 0.00 55.36 54.32 1x43 s GLN 62 Cb 0.42 0.28 0.04 0.00 1.00 0.00 0.00 33.01 34.75 1x43 s GLN 62 CO -0.05 -0.32 0.44 0.15 -2.12 0.00 0.00 175.29 173.39 1x43 s LYS 63 N -4.04 0.70 -0.03 2.91 1.02 -1.26 -2.52 119.74 116.51 1x43 s LYS 63 Ca 0.24 0.21 -0.13 0.00 0.02 0.00 0.00 55.97 56.31 1x43 s LYS 63 Cb 0.06 0.33 0.04 0.00 -0.52 0.00 0.00 37.83 37.74 1x43 s LYS 63 CO 0.03 -0.17 0.60 0.41 -0.92 0.00 0.00 175.35 175.29 1x43 n GLY 64 N 1.79 0.31 3.80 -3.33 0.00 -0.83 -4.80 105.19 102.14 1x43 n GLY 64 Ca -0.18 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.00 4.32 -0.05 1.61 1.02 0.21 -0.68 119.74 124.17 1x43 s LYS 65 Ca 0.14 0.88 0.03 0.00 0.02 0.00 0.00 55.97 57.04 1x43 s LYS 65 Cb -0.00 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 1x43 s LYS 65 CO -0.01 0.60 -0.14 0.14 -0.92 0.00 0.00 175.35 175.01 1x43 s VAL 66 N -1.16 1.23 -0.10 3.17 -7.23 0.46 -2.66 120.40 114.10 1x43 s VAL 66 Ca 0.32 -0.58 -0.29 0.00 -1.81 0.00 0.00 61.98 59.62 1x43 s VAL 66 Cb -0.20 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.62 1x43 s VAL 66 CO 0.22 0.37 1.52 -2.16 -0.31 0.00 0.00 175.10 174.73 1x43 s PRO 67 N 0.28 4.18 0.41 4.82 0.04 -1.26 -0.36 135.00 143.11 1x43 s PRO 67 Ca -0.08 1.99 0.08 0.00 0.04 0.00 0.00 61.00 63.04 1x43 s PRO 67 Cb -0.12 -3.92 0.88 0.00 0.04 0.00 0.00 34.50 31.38 1x43 s PRO 67 CO 0.03 -0.82 2.03 0.82 0.04 0.00 0.00 177.00 179.10 1x43 h ILE 68 N 5.57 1.11 -0.02 0.56 5.03 -1.85 -1.24 117.51 126.67 1x43 h ILE 68 Ca -0.35 -0.30 0.01 0.00 -0.12 0.00 0.00 64.86 64.10 1x43 h ILE 68 Cb 1.15 0.70 -0.00 0.00 -3.03 0.00 0.00 36.82 35.64 1x43 h ILE 68 CO 0.96 0.12 0.11 0.71 -0.68 0.00 0.00 178.15 179.37 1x43 h THR 69 N 0.44 0.08 0.00 -0.27 1.35 -1.91 0.17 112.91 112.77 1x43 h THR 69 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 1x43 h THR 69 Cb 0.04 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.36 1x43 h THR 69 CO -0.02 0.00 -1.26 -1.22 -0.25 0.00 0.00 175.52 172.77 1x43 n TYR 70 N -3.15 0.00 -4.18 4.73 4.02 -0.48 -4.94 117.16 113.15 1x43 n TYR 70 Ca -0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.55 1x43 n TYR 70 Cb 0.17 -0.13 -0.08 0.00 -0.02 0.00 0.00 39.34 39.28 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 -3.40 3.62 -0.57 7.72 1.43 0.60 -0.09 118.68 127.99 1x43 s LEU 71 Ca 0.04 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 1x43 s LEU 71 Cb 0.15 -2.17 0.16 0.00 0.03 0.00 0.00 46.19 44.36 1x43 s LEU 71 CO 0.88 0.24 0.39 -0.70 0.23 0.00 0.00 176.35 177.39 1x43 s GLU 72 N -1.86 1.85 -0.61 1.70 2.12 0.11 -4.86 118.70 117.15 1x43 s GLU 72 Ca 0.23 -2.76 -0.41 0.00 0.36 0.00 0.00 54.97 52.39 1x43 s GLU 72 Cb -0.12 -2.76 -0.19 0.00 0.26 0.00 0.00 34.13 31.32 1x43 s GLU 72 CO 0.14 -1.27 2.27 1.28 -0.54 0.00 0.00 175.26 177.14 1x43 n LEU 73 N 2.56 0.68 -4.77 2.70 4.77 -1.26 -3.10 117.00 118.58 1x43 n LEU 73 Ca 0.19 0.56 -0.32 0.00 -0.03 0.00 0.00 56.01 56.40 1x43 n LEU 73 Cb 0.38 -0.91 0.07 0.00 -2.33 0.00 0.00 43.42 40.62 1x43 n LEU 73 CO 0.23 -0.76 0.72 -0.76 -1.33 0.00 0.00 177.39 175.49 1x43 s LEU 74 N 6.73 3.20 -1.22 2.23 1.43 -1.21 -3.28 118.68 126.55 1x43 s LEU 74 Ca 1.23 1.90 -0.11 0.00 -1.03 0.00 0.00 54.13 56.13 1x43 s LEU 74 Cb -1.43 -4.53 0.09 0.00 0.03 0.00 0.00 46.19 40.35 1x43 s LEU 74 CO 0.62 -1.85 0.45 0.59 0.23 0.00 0.00 176.35 176.39 1x43 n ASN 75 N -3.01 -3.06 0.02 2.29 3.02 -1.26 -4.85 115.26 108.40 1x43 n ASN 75 Ca 0.10 -0.42 -0.06 0.00 -0.03 0.00 0.00 54.58 54.17 1x43 n ASN 75 Cb 0.53 -2.57 -0.04 0.00 -0.61 0.00 0.00 39.78 37.08 1x43 n ASN 75 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1x43 h SER 76 N -0.84 -0.13 -1.90 6.41 0.87 -1.94 -3.46 113.55 112.57 1x43 h SER 76 Ca -0.40 -0.21 -0.62 0.00 -1.23 0.00 0.00 61.79 59.32 1x43 h SER 76 Cb 1.27 0.03 0.14 0.00 -0.44 0.00 0.00 62.40 63.41 1x43 h SER 76 CO 0.53 0.44 -0.62 0.61 -0.53 0.00 0.00 176.83 177.26 1x43 n GLY 77 N 1.24 -1.98 3.75 5.77 0.00 -1.26 -4.92 105.19 107.79 1x43 n GLY 77 Ca -0.04 0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1x43 n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x43 s PRO 78 N -1.27 1.95 0.05 1.61 0.04 -1.26 -5.01 135.00 131.11 1x43 s PRO 78 Ca 0.62 1.06 -0.25 0.00 0.04 0.00 0.00 61.00 62.46 1x43 s PRO 78 Cb -0.67 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 31.95 1x43 s PRO 78 CO 0.60 -1.83 0.78 0.45 0.04 0.00 0.00 177.00 177.04 1x43 s SER 79 N -3.40 7.24 0.04 6.66 0.15 -1.26 -5.05 113.70 118.07 1x43 s SER 79 Ca 0.62 1.48 -0.13 0.00 0.70 0.00 0.00 55.95 58.61 1x43 s SER 79 Cb -0.17 -2.48 -0.06 0.00 -1.71 0.00 0.00 66.02 61.60 1x43 s SER 79 CO 0.56 0.01 0.42 -0.94 1.20 0.00 0.00 173.24 174.49 1x43 s SER 80 N -0.06 6.76 0.00 5.45 1.04 -1.26 -5.32 113.70 120.32 1x43 s SER 80 Ca 0.39 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.75 1x43 s SER 80 Cb -0.21 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1x43 s SER 80 CO 0.24 0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.32