#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 4.24 -0.04 1.61 1.04 -1.26 -5.01 113.70 114.28 1x43 s SER 2 Ca 0.00 -0.39 -0.21 0.00 0.48 0.00 0.00 55.95 55.82 1x43 s SER 2 Cb 0.00 -1.72 -0.15 0.00 0.10 0.00 0.00 66.02 64.25 1x43 s SER 2 CO 0.00 -0.01 0.92 -1.28 0.98 0.00 0.00 173.24 173.85 1x43 h SER 3 N 8.00 -0.24 -3.89 7.02 0.87 -2.09 -3.50 113.55 119.73 1x43 h SER 3 Ca -0.41 -0.29 0.01 0.00 -1.23 0.00 0.00 61.79 59.88 1x43 h SER 3 Cb 1.16 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 1x43 h SER 3 CO 0.60 0.27 -0.71 0.61 -0.53 0.00 0.00 176.83 177.08 1x43 n GLY 4 N 0.42 -3.68 3.64 5.77 0.00 -1.26 -5.07 105.19 105.01 1x43 n GLY 4 Ca -0.08 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.87 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 -4.81 -0.43 0.16 1.61 0.15 -1.26 -5.18 113.70 103.95 1x43 s SER 5 Ca 0.00 0.81 0.07 0.00 0.70 0.00 0.00 55.95 57.53 1x43 s SER 5 Cb 0.00 0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 65.12 1x43 s SER 5 CO 0.00 -0.14 -0.03 -0.55 1.20 0.00 0.00 173.24 173.72 1x43 s SER 6 N 0.32 4.65 -0.09 5.45 0.15 -1.26 -5.13 113.70 117.79 1x43 s SER 6 Ca 0.02 -0.41 -0.31 0.00 0.70 0.00 0.00 55.95 55.95 1x43 s SER 6 Cb -0.05 -0.95 0.09 0.00 -1.71 0.00 0.00 66.02 63.40 1x43 s SER 6 CO -0.08 0.11 0.80 -0.83 1.20 0.00 0.00 173.24 174.44 1x43 s GLY 7 N -2.79 -0.46 0.49 9.45 0.00 -1.26 -5.18 107.32 107.56 1x43 s GLY 7 Ca 0.26 1.60 0.04 0.00 0.00 0.00 0.00 44.72 46.62 1x43 s GLY 7 CO 0.17 0.99 0.13 0.48 0.00 0.00 0.00 173.10 174.87 1x43 s LEU 8 N -1.15 2.61 0.15 0.66 0.05 -1.26 -5.11 118.68 114.64 1x43 s LEU 8 Ca -0.07 -1.42 -0.30 0.00 0.05 0.00 0.00 54.13 52.39 1x43 s LEU 8 Cb -0.00 -0.99 -0.07 0.00 -2.05 0.00 0.00 46.19 43.08 1x43 s LEU 8 CO 0.07 -0.80 1.03 0.21 -0.55 0.00 0.00 176.35 176.30 1x43 s ASN 9 N -3.95 7.40 0.47 1.48 3.84 -1.26 -5.05 114.94 117.86 1x43 s ASN 9 Ca 0.22 1.95 0.02 0.00 0.21 0.00 0.00 52.86 55.27 1x43 s ASN 9 Cb 0.02 -2.60 -0.02 0.00 -0.55 0.00 0.00 41.25 38.10 1x43 s ASN 9 CO 0.13 -0.12 0.05 1.51 -2.79 0.00 0.00 177.10 175.87 1x43 s ASP 10 N -0.15 3.62 -0.57 -4.21 1.47 -1.26 -5.11 116.67 110.46 1x43 s ASP 10 Ca 0.48 -1.64 0.04 0.00 1.18 0.00 0.00 52.55 52.61 1x43 s ASP 10 Cb -0.26 0.45 0.16 0.00 -0.34 0.00 0.00 42.92 42.92 1x43 s ASP 10 CO 0.32 -0.85 0.39 -0.76 0.68 0.00 0.00 175.17 174.95 1x43 s LEU 11 N -3.77 3.64 0.94 2.11 1.02 -1.26 -5.11 118.68 116.26 1x43 s LEU 11 Ca 0.14 -3.38 -0.15 0.00 0.02 0.00 0.00 54.13 50.76 1x43 s LEU 11 Cb 0.03 -1.26 0.17 0.00 0.02 0.00 0.00 46.19 45.15 1x43 s LEU 11 CO 0.08 -0.15 1.25 -0.54 0.02 0.00 0.00 176.35 177.01 1x43 s LYS 12 N -0.68 0.83 0.08 1.70 -0.14 -1.26 -5.00 119.74 115.27 1x43 s LYS 12 Ca 0.25 -0.18 -0.36 0.00 -1.36 0.00 0.00 55.97 54.32 1x43 s LYS 12 Cb -0.08 -1.85 -0.18 0.00 -1.68 0.00 0.00 37.83 34.04 1x43 s LYS 12 CO -0.13 -2.32 1.55 0.93 -0.76 0.00 0.00 175.35 174.62 1x43 h GLU 13 N -1.58 -1.03 -4.38 1.68 4.39 -2.08 -3.42 114.58 108.16 1x43 h GLU 13 Ca -0.45 0.07 -0.49 0.00 0.34 0.00 0.00 59.36 58.83 1x43 h GLU 13 Cb 1.27 0.23 -0.34 0.00 -0.10 0.00 0.00 28.75 29.82 1x43 h GLU 13 CO 0.47 -0.69 -0.80 0.45 -1.16 0.00 0.00 179.01 177.28 1x43 s SER 14 N -4.24 1.59 -0.53 1.42 0.15 -1.26 -5.10 113.70 105.73 1x43 s SER 14 Ca -0.18 -0.25 -0.06 0.00 0.70 0.00 0.00 55.95 56.16 1x43 s SER 14 Cb 0.04 -0.73 0.14 0.00 -1.71 0.00 0.00 66.02 63.76 1x43 s SER 14 CO 0.59 -0.00 0.37 -0.55 1.20 0.00 0.00 173.24 174.85 1x43 s SER 15 N 0.81 5.52 0.12 5.45 0.15 -1.26 -5.06 113.70 119.43 1x43 s SER 15 Ca -0.12 -2.31 0.06 0.00 0.70 0.00 0.00 55.95 54.27 1x43 s SER 15 Cb -0.15 -1.93 -0.04 0.00 -1.71 0.00 0.00 66.02 62.19 1x43 s SER 15 CO 0.02 -0.54 -0.13 0.20 1.20 0.00 0.00 173.24 173.99 1x43 s ASN 16 N 1.77 1.91 0.31 5.45 0.01 -1.26 -5.16 114.94 117.96 1x43 s ASN 16 Ca 0.11 -0.81 0.06 0.00 -0.71 0.00 0.00 52.86 51.50 1x43 s ASN 16 Cb -0.22 -0.06 -0.03 0.00 0.41 0.00 0.00 41.25 41.35 1x43 s ASN 16 CO -0.03 -0.17 0.24 0.20 -1.51 0.00 0.00 177.10 175.83 1x43 s ASN 17 N -2.46 1.48 0.46 -1.22 0.01 -1.26 -5.06 114.94 106.87 1x43 s ASN 17 Ca 0.08 -1.68 -0.02 0.00 -0.71 0.00 0.00 52.86 50.54 1x43 s ASN 17 Cb -0.04 0.52 -0.01 0.00 0.41 0.00 0.00 41.25 42.12 1x43 s ASN 17 CO 0.03 -1.01 0.70 -0.13 -1.51 0.00 0.00 177.10 175.18 1x43 s ARG 18 N -3.60 3.20 -0.09 -0.60 0.52 0.18 -4.91 118.95 113.65 1x43 s ARG 18 Ca 0.39 -0.27 0.03 0.00 -0.52 0.00 0.00 55.73 55.36 1x43 s ARG 18 Cb 0.03 -2.50 0.01 0.00 0.52 0.00 0.00 34.95 33.01 1x43 s ARG 18 CO 0.24 -0.25 -0.17 0.15 0.02 0.00 0.00 175.30 175.29 1x43 s LYS 19 N -4.61 2.32 -0.00 3.54 -0.14 -1.26 -0.41 119.74 119.18 1x43 s LYS 19 Ca 0.47 -0.62 -0.04 0.00 -1.36 0.00 0.00 55.97 54.42 1x43 s LYS 19 Cb -0.10 -1.87 -0.00 0.00 -1.68 0.00 0.00 37.83 34.18 1x43 s LYS 19 CO 0.40 0.04 0.08 0.00 -0.76 0.00 0.00 175.35 175.12 1x43 s ALA 20 N 0.67 -0.19 0.03 5.17 0.00 -1.17 -2.02 121.76 124.27 1x43 s ALA 20 Ca -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1x43 s ALA 20 Cb -0.16 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1x43 s ALA 20 CO 0.03 -0.16 0.12 0.50 0.00 0.00 0.00 175.76 176.25 1x43 s ARG 21 N -1.09 3.13 0.20 0.00 3.52 -1.21 -2.32 118.95 121.18 1x43 s ARG 21 Ca -0.12 -0.52 -0.23 0.00 -0.13 0.00 0.00 55.73 54.73 1x43 s ARG 21 Cb -0.07 -2.88 -0.08 0.00 -1.56 0.00 0.00 34.95 30.36 1x43 s ARG 21 CO 0.01 0.62 0.76 0.08 -0.81 0.00 0.00 175.30 175.96 1x43 s VAL 22 N -1.33 4.44 -0.06 7.11 1.01 0.12 0.49 120.40 132.19 1x43 s VAL 22 Ca 0.28 1.53 0.19 0.00 0.00 0.00 0.00 61.98 63.98 1x43 s VAL 22 Cb -0.12 -4.00 -0.28 0.00 0.00 0.00 0.00 36.38 31.97 1x43 s VAL 22 CO 0.20 0.36 0.35 0.18 0.00 0.00 0.00 175.10 176.19 1x43 n LEU 23 N 1.14 0.00 -3.78 3.92 4.77 0.12 -1.21 117.00 121.96 1x43 n LEU 23 Ca -0.04 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.81 1x43 n LEU 23 Cb 0.50 0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.58 1x43 n LEU 23 CO 0.45 0.09 -0.04 -0.31 -1.33 0.00 0.00 177.39 176.25 1x43 s TYR 24 N -3.16 -0.24 0.12 -1.77 1.51 -1.26 -4.68 117.35 107.87 1x43 s TYR 24 Ca -0.07 0.52 -0.31 0.00 -1.01 0.00 0.00 57.07 56.20 1x43 s TYR 24 Cb 0.11 0.09 -0.09 0.00 -0.11 0.00 0.00 41.96 41.96 1x43 s TYR 24 CO 0.79 -0.24 1.57 0.16 -1.11 0.00 0.00 175.55 176.72 1x43 s ASP 25 N -0.49 6.63 0.19 2.29 -4.77 -1.26 -4.35 116.67 114.91 1x43 s ASP 25 Ca -0.06 2.52 0.09 0.00 -3.30 0.00 0.00 52.55 51.80 1x43 s ASP 25 Cb -0.04 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.17 1x43 s ASP 25 CO 0.02 -0.82 -0.07 -0.47 0.70 0.00 0.00 175.17 174.52 1x43 s TYR 26 N 1.72 2.67 -0.31 2.11 5.04 -0.17 -4.94 117.35 123.47 1x43 s TYR 26 Ca 0.71 -0.21 0.03 0.00 -2.44 0.00 0.00 57.07 55.15 1x43 s TYR 26 Cb -0.41 -1.28 0.09 0.00 0.35 0.00 0.00 41.96 40.71 1x43 s TYR 26 CO 0.31 0.53 0.01 -0.51 -1.34 0.00 0.00 175.55 174.55 1x43 s ASP 27 N -2.99 4.53 0.10 4.32 1.01 -1.26 -1.98 116.67 120.40 1x43 s ASP 27 Ca 0.26 -1.84 -0.34 0.00 0.71 0.00 0.00 52.55 51.35 1x43 s ASP 27 Cb -0.08 -1.49 -0.13 0.00 1.01 0.00 0.00 42.92 42.23 1x43 s ASP 27 CO 0.16 -0.33 1.68 0.00 0.21 0.00 0.00 175.17 176.90 1x43 n ALA 28 N 4.39 1.37 -0.03 5.23 0.00 -1.26 -4.88 120.51 125.34 1x43 n ALA 28 Ca -0.02 0.39 -0.08 0.00 0.00 0.00 0.00 53.44 53.73 1x43 n ALA 28 Cb 0.42 -2.42 0.10 0.00 0.00 0.00 0.00 19.45 17.56 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 7.00 0.85 -2.95 0.00 0.00 -1.92 -3.47 119.26 118.78 1x43 h ALA 29 Ca -0.46 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 53.97 1x43 h ALA 29 Cb 1.25 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1x43 h ALA 29 CO 0.91 0.64 0.16 0.27 0.00 0.00 0.00 179.25 181.23 1x43 n ASN 30 N -4.05 -1.70 -0.22 0.00 2.04 -1.26 -5.02 115.26 105.04 1x43 n ASN 30 Ca -0.01 -2.31 -0.03 0.00 -0.44 0.00 0.00 54.58 51.79 1x43 n ASN 30 Cb 0.50 2.87 0.03 0.00 -2.53 0.00 0.00 39.78 40.64 1x43 n ASN 30 CO 0.00 0.00 0.00 -1.28 -0.44 0.00 0.00 177.26 175.54 1x43 h SER 31 N 1.57 -1.05 -1.53 0.53 0.87 -1.96 0.44 113.55 112.43 1x43 h SER 31 Ca -0.26 0.23 0.46 0.00 -1.23 0.00 0.00 61.79 60.99 1x43 h SER 31 Cb 0.97 0.55 -0.10 0.00 -0.44 0.00 0.00 62.40 63.39 1x43 h SER 31 CO 0.33 -0.29 1.06 0.71 -0.53 0.00 0.00 176.83 178.11 1x43 h THR 32 N -0.11 0.14 -2.92 2.23 1.35 -1.97 -3.39 112.91 108.24 1x43 h THR 32 Ca 0.27 -0.02 -0.60 0.00 -0.55 0.00 0.00 66.41 65.50 1x43 h THR 32 Cb 0.55 0.09 -0.10 0.00 -1.73 0.00 0.00 68.15 66.96 1x43 h THR 32 CO -0.71 0.01 -0.63 -1.61 -0.25 0.00 0.00 175.52 172.33 1x43 s GLU 33 N -5.09 2.58 0.14 4.72 2.02 0.15 0.06 118.70 123.29 1x43 s GLU 33 Ca -0.06 -0.98 0.11 0.00 0.02 0.00 0.00 54.97 54.05 1x43 s GLU 33 Cb 0.27 -2.48 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 1x43 s GLU 33 CO 0.85 0.48 -0.25 -0.51 0.02 0.00 0.00 175.26 175.85 1x43 s LEU 34 N -2.86 2.40 0.46 1.80 1.43 -1.01 -4.51 118.68 116.39 1x43 s LEU 34 Ca 0.28 -0.75 -0.22 0.00 -1.03 0.00 0.00 54.13 52.41 1x43 s LEU 34 Cb -0.10 -1.25 -0.08 0.00 0.03 0.00 0.00 46.19 44.79 1x43 s LEU 34 CO 0.20 0.17 1.07 -0.94 0.23 0.00 0.00 176.35 177.08 1x43 s SER 35 N -2.22 6.36 0.07 2.29 1.04 -1.26 -4.02 113.70 115.95 1x43 s SER 35 Ca 0.16 2.05 0.07 0.00 0.48 0.00 0.00 55.95 58.72 1x43 s SER 35 Cb -0.10 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 1x43 s SER 35 CO 0.07 -0.77 -0.20 -0.76 0.98 0.00 0.00 173.24 172.56 1x43 s LEU 36 N -3.20 2.22 -0.08 2.42 1.43 -0.84 -4.94 118.68 115.70 1x43 s LEU 36 Ca 0.65 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 1x43 s LEU 36 Cb -0.21 -0.88 -0.01 0.00 0.03 0.00 0.00 46.19 45.12 1x43 s LEU 36 CO 0.25 0.10 -0.24 -0.76 0.23 0.00 0.00 176.35 175.93 1x43 s LEU 37 N -1.47 2.08 0.17 1.79 1.43 -1.26 -1.00 118.68 120.41 1x43 s LEU 37 Ca 0.06 -0.53 -0.33 0.00 -1.03 0.00 0.00 54.13 52.30 1x43 s LEU 37 Cb -0.09 -1.39 -0.13 0.00 0.03 0.00 0.00 46.19 44.62 1x43 s LEU 37 CO 0.03 0.21 1.68 0.00 0.23 0.00 0.00 176.35 178.49 1x43 n ALA 38 N 3.21 2.04 -2.73 4.21 0.00 -1.26 -2.34 120.51 123.63 1x43 n ALA 38 Ca -0.18 0.41 -0.07 0.00 0.00 0.00 0.00 53.44 53.59 1x43 n ALA 38 Cb 0.52 -2.45 0.03 0.00 0.00 0.00 0.00 19.45 17.55 1x43 n ALA 38 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x43 n ASP 39 N 3.99 -2.89 -3.99 0.00 9.92 -0.35 -4.95 116.55 118.28 1x43 n ASP 39 Ca 0.17 -0.21 -0.22 0.00 -0.53 0.00 0.00 54.79 54.01 1x43 n ASP 39 Cb 0.32 -2.13 -0.16 0.00 -0.64 0.00 0.00 41.12 38.51 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 -5.04 1.19 -0.33 -1.24 -1.05 -0.99 -4.91 118.70 106.33 1x43 s GLU 40 Ca 0.12 -0.30 -0.08 0.00 -0.15 0.00 0.00 54.97 54.55 1x43 s GLU 40 Cb -0.05 -1.07 0.02 0.00 -0.44 0.00 0.00 34.13 32.59 1x43 s GLU 40 CO 0.26 0.04 0.13 0.54 0.95 0.00 0.00 175.26 177.19 1x43 s VAL 41 N 0.51 4.17 0.49 1.83 0.11 -1.26 0.13 120.40 126.38 1x43 s VAL 41 Ca -0.09 -0.84 0.03 0.00 -2.93 0.00 0.00 61.98 58.15 1x43 s VAL 41 Cb -0.12 -3.26 -0.02 0.00 -1.53 0.00 0.00 36.38 31.44 1x43 s VAL 41 CO 0.02 -0.09 0.04 0.27 -3.33 0.00 0.00 175.10 172.01 1x43 s ILE 42 N 1.50 1.40 -0.05 7.04 -4.36 -0.98 -4.96 121.20 120.79 1x43 s ILE 42 Ca 0.01 -1.94 -0.24 0.00 -0.26 0.00 0.00 60.65 58.22 1x43 s ILE 42 Cb -0.18 -2.34 -0.04 0.00 1.25 0.00 0.00 42.46 41.15 1x43 s ILE 42 CO 0.04 0.00 0.71 -0.89 0.24 0.00 0.00 174.94 175.04 1x43 s THR 43 N -2.83 5.00 0.04 8.37 2.01 -1.26 -3.02 115.64 123.96 1x43 s THR 43 Ca 0.15 1.47 0.05 0.00 0.31 0.00 0.00 61.69 63.66 1x43 s THR 43 Cb 0.03 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 1x43 s THR 43 CO 0.08 0.27 -0.14 0.68 -0.69 0.00 0.00 174.62 174.82 1x43 s VAL 44 N 0.65 1.10 -0.13 3.82 -7.23 0.45 -1.92 120.40 117.15 1x43 s VAL 44 Ca 0.38 -1.01 -0.24 0.00 -1.81 0.00 0.00 61.98 59.30 1x43 s VAL 44 Cb -0.18 -1.00 0.06 0.00 0.56 0.00 0.00 36.38 35.81 1x43 s VAL 44 CO 0.19 -0.01 0.59 0.72 -0.31 0.00 0.00 175.10 176.28 1x43 s PHE 45 N -0.87 -0.59 0.33 2.82 -0.71 -0.63 0.49 117.98 118.81 1x43 s PHE 45 Ca 0.01 1.23 -0.21 0.00 -1.04 0.00 0.00 56.93 56.92 1x43 s PHE 45 Cb -0.08 0.28 -0.10 0.00 -1.21 0.00 0.00 43.02 41.91 1x43 s PHE 45 CO 0.01 -0.45 0.86 -1.12 -1.34 0.00 0.00 175.22 173.18 1x43 s SER 46 N -0.53 7.07 -0.00 1.98 0.01 -1.26 0.59 113.70 121.56 1x43 s SER 46 Ca -0.06 1.61 0.02 0.00 1.31 0.00 0.00 55.95 58.82 1x43 s SER 46 Cb -0.03 -2.50 -0.00 0.00 0.21 0.00 0.00 66.02 63.70 1x43 s SER 46 CO 0.05 -0.14 -0.06 -0.69 0.41 0.00 0.00 173.24 172.81 1x43 s VAL 47 N -1.80 0.45 0.28 3.43 1.01 -1.26 -4.93 120.40 117.57 1x43 s VAL 47 Ca 0.52 -0.26 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 1x43 s VAL 47 Cb -0.14 -0.38 -0.15 0.00 0.00 0.00 0.00 36.38 35.71 1x43 s VAL 47 CO 0.19 0.11 0.75 0.52 0.00 0.00 0.00 175.10 176.67 1x43 n VAL 48 N 2.90 1.94 -1.25 2.92 0.31 -1.26 -1.29 118.33 122.61 1x43 n VAL 48 Ca -0.13 -0.50 -0.07 0.00 -0.01 0.00 0.00 64.34 63.63 1x43 n VAL 48 Cb 0.58 -0.56 -0.03 0.00 -0.91 0.00 0.00 33.84 32.92 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 1.60 0.90 3.62 2.92 0.00 -1.26 -5.02 105.19 107.95 1x43 n GLY 49 Ca 0.13 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.68 2.44 0.50 1.61 0.00 -0.41 -5.12 119.30 115.64 1x43 s MET 50 Ca 0.00 -0.83 -0.18 0.00 0.00 0.00 0.00 55.69 54.68 1x43 s MET 50 Cb 0.00 -2.46 -0.08 0.00 0.00 0.00 0.00 34.83 32.29 1x43 s MET 50 CO 0.00 0.56 1.00 -0.51 0.00 0.00 0.00 175.02 176.07 1x43 s ASP 51 N -1.86 6.53 0.47 1.11 1.01 -1.26 -4.94 116.67 117.73 1x43 s ASP 51 Ca 0.21 1.69 0.32 0.00 0.71 0.00 0.00 52.55 55.47 1x43 s ASP 51 Cb -0.11 -2.53 1.42 0.00 1.01 0.00 0.00 42.92 42.71 1x43 s ASP 51 CO 0.12 -0.65 1.95 -1.28 0.21 0.00 0.00 175.17 175.52 1x43 h SER 52 N 1.19 0.00 -0.47 0.27 0.87 -1.99 -1.84 113.55 111.57 1x43 h SER 52 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1x43 h SER 52 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1x43 h SER 52 CO 0.60 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 177.37 1x43 n ASP 53 N -2.78 4.39 -3.69 6.23 8.00 -1.26 -4.82 116.55 122.61 1x43 n ASP 53 Ca 0.00 -2.58 -0.11 0.00 0.71 0.00 0.00 54.79 52.81 1x43 n ASP 53 Cb 0.22 -0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 40.62 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 -2.15 -0.62 0.42 1.24 0.52 -0.69 -3.01 118.94 114.64 1x43 s TRP 54 Ca 0.42 1.34 0.07 0.00 0.02 0.00 0.00 56.10 57.95 1x43 s TRP 54 Cb 0.30 0.28 -0.07 0.00 -1.15 0.00 0.00 33.47 32.83 1x43 s TRP 54 CO 0.15 -0.34 0.03 -0.51 0.02 0.00 0.00 176.95 176.30 1x43 s LEU 55 N 1.26 2.88 -0.60 2.99 1.43 0.51 -4.37 118.68 122.78 1x43 s LEU 55 Ca -0.08 -1.35 -0.21 0.00 -1.03 0.00 0.00 54.13 51.46 1x43 s LEU 55 Cb -0.07 -0.95 0.08 0.00 0.03 0.00 0.00 46.19 45.27 1x43 s LEU 55 CO -0.12 -0.48 0.81 -0.32 0.23 0.00 0.00 176.35 176.47 1x43 s MET 56 N -3.74 3.11 0.27 1.70 1.75 0.20 -0.13 119.30 122.45 1x43 s MET 56 Ca 0.34 -0.97 -0.09 0.00 -1.25 0.00 0.00 55.69 53.72 1x43 s MET 56 Cb 0.09 -4.20 -0.07 0.00 2.84 0.00 0.00 34.83 33.49 1x43 s MET 56 CO 0.18 -1.58 0.59 0.20 -0.65 0.00 0.00 175.02 173.75 1x43 s GLY 57 N 3.42 2.16 -0.17 2.11 0.00 0.11 -1.61 107.32 113.33 1x43 s GLY 57 Ca 0.18 -0.30 -0.05 0.00 0.00 0.00 0.00 44.72 44.55 1x43 s GLY 57 CO 0.10 -0.15 0.10 1.85 0.00 0.00 0.00 173.10 174.99 1x43 s GLU 58 N -3.09 0.07 -0.32 2.90 2.12 -0.81 -2.01 118.70 117.56 1x43 s GLU 58 Ca 0.48 -0.08 -0.03 0.00 0.36 0.00 0.00 54.97 55.70 1x43 s GLU 58 Cb -0.11 -1.79 0.05 0.00 0.26 0.00 0.00 34.13 32.55 1x43 s GLU 58 CO 0.24 -0.68 0.04 0.50 -0.54 0.00 0.00 175.26 174.82 1x43 s ARG 59 N 2.15 2.43 3.38 4.30 3.52 -1.12 -4.03 118.95 129.58 1x43 s ARG 59 Ca 0.02 -1.30 0.00 0.00 -0.13 0.00 0.00 55.73 54.32 1x43 s ARG 59 Cb -0.16 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 1x43 s ARG 59 CO -0.10 -0.68 0.00 0.41 -0.81 0.00 0.00 175.30 174.13 1x43 n GLY 60 N 4.66 1.27 2.42 8.12 0.00 -1.26 -0.75 105.19 119.65 1x43 n GLY 60 Ca -0.12 0.54 -0.33 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 8.24 6.68 -4.12 1.61 4.13 -1.26 -4.98 115.26 125.56 1x43 n ASN 61 Ca 0.00 -3.78 -0.08 0.00 1.68 0.00 0.00 54.58 52.39 1x43 n ASN 61 Cb 0.00 -0.79 -0.10 0.00 -1.54 0.00 0.00 39.78 37.35 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 -3.80 0.76 -0.19 3.52 -0.21 0.07 -5.17 119.66 114.63 1x43 s GLN 62 Ca 0.57 -1.32 -0.16 0.00 0.02 0.00 0.00 55.36 54.47 1x43 s GLN 62 Cb 0.46 0.17 0.05 0.00 1.00 0.00 0.00 33.01 34.69 1x43 s GLN 62 CO -0.12 -0.15 0.51 0.15 -2.12 0.00 0.00 175.29 173.56 1x43 s LYS 63 N -3.96 0.57 -0.00 2.91 1.02 -1.26 -2.78 119.74 116.24 1x43 s LYS 63 Ca 0.14 0.76 -0.02 0.00 0.02 0.00 0.00 55.97 56.87 1x43 s LYS 63 Cb 0.08 0.23 0.01 0.00 -0.52 0.00 0.00 37.83 37.62 1x43 s LYS 63 CO -0.05 -0.09 0.11 0.41 -0.92 0.00 0.00 175.35 174.81 1x43 n GLY 64 N 3.17 0.50 3.92 -3.33 0.00 -0.85 -4.81 105.19 103.78 1x43 n GLY 64 Ca -0.16 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 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 3.56 -0.07 1.61 1.02 0.11 0.07 119.74 124.04 1x43 s LYS 65 Ca 0.03 -0.05 -0.04 0.00 0.02 0.00 0.00 55.97 55.93 1x43 s LYS 65 Cb -0.00 -2.56 0.03 0.00 -0.52 0.00 0.00 37.83 34.78 1x43 s LYS 65 CO -0.00 0.06 0.17 0.14 -0.92 0.00 0.00 175.35 174.80 1x43 s VAL 66 N -2.37 -0.03 -0.19 3.17 -7.23 0.82 -2.40 120.40 112.17 1x43 s VAL 66 Ca 0.44 0.12 -0.29 0.00 -1.81 0.00 0.00 61.98 60.43 1x43 s VAL 66 Cb -0.10 -0.27 -0.03 0.00 0.56 0.00 0.00 36.38 36.54 1x43 s VAL 66 CO 0.36 0.05 1.59 -2.16 -0.31 0.00 0.00 175.10 174.63 1x43 s PRO 67 N 0.86 3.90 0.40 4.82 0.04 -1.26 -0.36 135.00 143.39 1x43 s PRO 67 Ca -0.06 1.75 0.10 0.00 0.04 0.00 0.00 61.00 62.82 1x43 s PRO 67 Cb -0.08 -4.00 0.89 0.00 0.04 0.00 0.00 34.50 31.35 1x43 s PRO 67 CO -0.05 -1.17 1.96 0.82 0.04 0.00 0.00 177.00 178.61 1x43 h ILE 68 N 5.99 0.94 -0.47 0.56 5.03 -1.85 -0.38 117.51 127.33 1x43 h ILE 68 Ca -0.34 -0.20 0.14 0.00 -0.12 0.00 0.00 64.86 64.34 1x43 h ILE 68 Cb 1.15 0.32 -0.02 0.00 -3.03 0.00 0.00 36.82 35.24 1x43 h ILE 68 CO 0.99 0.10 0.38 0.71 -0.68 0.00 0.00 178.15 179.66 1x43 h THR 69 N 0.57 0.61 -0.00 -0.27 1.35 -1.90 0.44 112.91 113.71 1x43 h THR 69 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.17 1x43 h THR 69 Cb 0.44 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1x43 h THR 69 CO -0.10 0.00 -0.62 -1.22 -0.25 0.00 0.00 175.52 173.33 1x43 n TYR 70 N -4.16 0.00 -4.25 4.73 4.02 -0.17 -4.91 117.16 112.42 1x43 n TYR 70 Ca 0.09 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.66 1x43 n TYR 70 Cb 0.59 -0.09 -0.09 0.00 -0.02 0.00 0.00 39.34 39.73 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 -2.79 3.45 -0.60 7.72 1.43 0.15 0.14 118.68 128.18 1x43 s LEU 71 Ca 0.14 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.20 1x43 s LEU 71 Cb 0.17 -2.06 0.16 0.00 0.03 0.00 0.00 46.19 44.50 1x43 s LEU 71 CO 0.70 0.24 0.41 -0.70 0.23 0.00 0.00 176.35 177.23 1x43 s GLU 72 N -1.81 2.02 -0.49 1.70 2.12 0.18 -4.85 118.70 117.56 1x43 s GLU 72 Ca 0.21 -2.90 -0.46 0.00 0.36 0.00 0.00 54.97 52.19 1x43 s GLU 72 Cb -0.12 -2.97 -0.19 0.00 0.26 0.00 0.00 34.13 31.11 1x43 s GLU 72 CO 0.13 -1.26 1.83 1.28 -0.54 0.00 0.00 175.26 176.69 1x43 n LEU 73 N 2.44 1.06 -1.88 2.70 4.77 -1.26 -3.28 117.00 121.55 1x43 n LEU 73 Ca 0.18 0.98 -0.11 0.00 -0.03 0.00 0.00 56.01 57.03 1x43 n LEU 73 Cb 0.37 -0.90 -0.07 0.00 -2.33 0.00 0.00 43.42 40.49 1x43 n LEU 73 CO 0.25 -0.80 1.35 0.18 -1.33 0.00 0.00 177.39 177.04 1x43 n LEU 74 N 5.49 5.61 -4.03 2.23 4.77 -0.85 -4.76 117.00 125.45 1x43 n LEU 74 Ca 0.41 -3.06 -0.31 0.00 -0.03 0.00 0.00 56.01 53.01 1x43 n LEU 74 Cb -0.04 -1.25 -0.15 0.00 -2.33 0.00 0.00 43.42 39.65 1x43 n LEU 74 CO 0.89 1.41 -0.39 0.21 -1.33 0.00 0.00 177.39 178.17 1x43 s ASN 75 N 1.53 4.57 -0.57 -1.43 2.47 -1.26 -5.01 114.94 115.24 1x43 s ASN 75 Ca 0.39 -1.76 -0.27 0.00 0.42 0.00 0.00 52.86 51.63 1x43 s ASN 75 Cb 0.21 -1.56 -0.00 0.00 -1.45 0.00 0.00 41.25 38.45 1x43 s ASN 75 CO -0.03 -0.29 1.60 -0.44 -3.72 0.00 0.00 177.10 174.22 1x43 s SER 76 N 1.03 5.81 0.44 -4.21 0.01 -1.26 -4.97 113.70 110.54 1x43 s SER 76 Ca 0.01 0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.68 1x43 s SER 76 Cb -0.19 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.45 1x43 s SER 76 CO -0.07 -1.95 0.02 -0.83 0.41 0.00 0.00 173.24 170.82 1x43 s GLY 77 N 5.82 2.66 0.70 3.44 0.00 -1.26 -5.14 107.32 113.54 1x43 s GLY 77 Ca 0.59 -1.52 -0.13 0.00 0.00 0.00 0.00 44.72 43.65 1x43 s GLY 77 CO 0.24 -2.09 1.10 2.56 0.00 0.00 0.00 173.10 174.91 1x43 s PRO 78 N -3.79 2.60 1.23 2.90 0.04 -1.26 -5.02 135.00 131.71 1x43 s PRO 78 Ca 0.24 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.42 1x43 s PRO 78 Cb 0.06 -1.93 0.26 0.00 0.04 0.00 0.00 34.50 32.93 1x43 s PRO 78 CO 0.12 -1.39 0.60 -1.13 0.04 0.00 0.00 177.00 175.24 1x43 n SER 79 N -2.80 -2.92 -3.64 6.66 3.41 -1.26 -5.06 113.62 108.01 1x43 n SER 79 Ca 0.10 -0.43 -0.15 0.00 -0.26 0.00 0.00 58.87 58.13 1x43 n SER 79 Cb 0.52 -1.01 -0.08 0.00 -0.26 0.00 0.00 64.21 63.39 1x43 n SER 79 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x43 s SER 80 N -2.38 -0.47 0.00 4.04 1.04 -1.26 -5.32 113.70 109.35 1x43 s SER 80 Ca 0.59 0.57 0.32 0.00 0.48 0.00 0.00 55.95 57.91 1x43 s SER 80 Cb -0.15 0.58 1.85 0.00 0.10 0.00 0.00 66.02 68.40 1x43 s SER 80 CO 0.57 -0.46 2.19 0.61 0.98 0.00 0.00 173.24 177.13