#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 6.98 0.98 1.61 0.15 -1.26 -5.07 113.70 117.10 1x43 s SER 2 Ca 0.00 1.17 -0.12 0.00 0.70 0.00 0.00 55.95 57.70 1x43 s SER 2 Cb 0.00 -2.35 0.18 0.00 -1.71 0.00 0.00 66.02 62.13 1x43 s SER 2 CO 0.00 0.16 1.09 -0.44 1.20 0.00 0.00 173.24 175.25 1x43 s SER 3 N -0.48 2.74 1.68 5.45 0.01 -1.26 -4.75 113.70 117.09 1x43 s SER 3 Ca 0.30 1.25 0.00 0.00 1.31 0.00 0.00 55.95 58.81 1x43 s SER 3 Cb -0.18 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.12 1x43 s SER 3 CO 0.17 -3.07 0.00 0.61 0.41 0.00 0.00 173.24 171.37 1x43 n GLY 4 N -1.05 2.88 4.24 3.44 0.00 -1.26 -4.85 105.19 108.58 1x43 n GLY 4 Ca 0.05 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1x43 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x43 n SER 5 N 5.00 -1.61 0.07 1.61 3.41 -1.26 -4.78 113.62 116.05 1x43 n SER 5 Ca 0.00 -1.12 -0.12 0.00 -0.26 0.00 0.00 58.87 57.37 1x43 n SER 5 Cb 0.00 -1.44 -0.05 0.00 -0.26 0.00 0.00 64.21 62.46 1x43 n SER 5 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1x43 h SER 6 N -0.79 -0.85 -3.91 4.04 0.02 -1.95 -3.48 113.55 106.63 1x43 h SER 6 Ca -0.54 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1x43 h SER 6 Cb 1.25 0.34 0.00 0.00 0.14 0.00 0.00 62.40 64.13 1x43 h SER 6 CO 0.81 -0.36 -0.09 0.61 -1.14 0.00 0.00 176.83 176.66 1x43 n GLY 7 N -1.39 -0.80 3.52 -3.77 0.00 -1.26 -5.09 105.19 96.40 1x43 n GLY 7 Ca -0.05 0.24 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 1x43 n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1x43 s LEU 8 N -2.22 -0.39 0.11 0.99 -0.00 -1.26 -5.18 118.68 110.73 1x43 s LEU 8 Ca 0.05 0.16 0.10 0.00 -0.00 0.00 0.00 54.13 54.43 1x43 s LEU 8 Cb -0.01 2.04 -0.04 0.00 -0.00 0.00 0.00 46.19 48.18 1x43 s LEU 8 CO 0.30 -0.56 -0.26 0.54 -0.00 0.00 0.00 176.35 176.37 1x43 s ASN 9 N -2.04 3.12 -0.78 1.48 2.20 -1.26 -5.04 114.94 112.61 1x43 s ASN 9 Ca 0.02 -0.72 -0.02 0.00 -0.94 0.00 0.00 52.86 51.20 1x43 s ASN 9 Cb -0.01 -0.21 0.31 0.00 -2.00 0.00 0.00 41.25 39.34 1x43 s ASN 9 CO -0.05 0.16 2.14 0.47 -2.94 0.00 0.00 177.10 176.88 1x43 n ASP 10 N 1.06 7.39 -3.92 3.54 9.92 -1.26 -4.84 116.55 128.42 1x43 n ASP 10 Ca -0.18 -3.74 -0.30 0.00 -0.53 0.00 0.00 54.79 50.03 1x43 n ASP 10 Cb 0.53 -1.09 -0.14 0.00 -0.64 0.00 0.00 41.12 39.78 1x43 n ASP 10 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1x43 s LEU 11 N -3.78 4.09 0.42 0.64 1.02 -1.26 -5.11 118.68 114.70 1x43 s LEU 11 Ca 0.53 -2.57 -0.04 0.00 0.02 0.00 0.00 54.13 52.07 1x43 s LEU 11 Cb 0.43 -1.50 -0.04 0.00 0.02 0.00 0.00 46.19 45.11 1x43 s LEU 11 CO -0.37 -0.30 0.70 -0.54 0.02 0.00 0.00 176.35 175.86 1x43 s LYS 12 N 0.34 3.55 0.00 1.70 1.02 -1.26 -5.01 119.74 120.08 1x43 s LYS 12 Ca 0.14 0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.20 1x43 s LYS 12 Cb -0.23 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.61 1x43 s LYS 12 CO -0.05 -0.06 0.00 -0.85 -0.92 0.00 0.00 175.35 173.47 1x43 n GLU 13 N -1.95 1.18 -3.64 1.68 0.00 -1.26 -5.10 120.64 111.55 1x43 n GLU 13 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.11 1x43 n GLU 13 Cb 0.55 -0.72 -0.07 0.00 0.00 0.00 0.00 31.44 31.21 1x43 n GLU 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1x43 s SER 14 N -2.38 -0.42 -0.09 -1.84 0.15 -1.26 -5.15 113.70 102.71 1x43 s SER 14 Ca 0.00 0.70 -0.18 0.00 0.70 0.00 0.00 55.95 57.18 1x43 s SER 14 Cb 0.00 1.02 -0.05 0.00 -1.71 0.00 0.00 66.02 65.29 1x43 s SER 14 CO 0.00 -0.11 0.47 -0.44 1.20 0.00 0.00 173.24 174.35 1x43 s SER 15 N 0.94 6.71 -0.03 5.45 0.01 -1.26 -4.98 113.70 120.54 1x43 s SER 15 Ca -0.05 0.85 -0.07 0.00 1.31 0.00 0.00 55.95 57.99 1x43 s SER 15 Cb -0.04 -2.28 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 1x43 s SER 15 CO -0.12 0.06 -0.14 0.59 0.41 0.00 0.00 173.24 174.03 1x43 n ASN 16 N 3.32 1.29 -4.00 2.44 4.13 -1.26 -5.05 115.26 116.13 1x43 n ASN 16 Ca -0.08 0.20 -0.28 0.00 1.68 0.00 0.00 54.58 56.09 1x43 n ASN 16 Cb 0.52 -0.49 0.22 0.00 -1.54 0.00 0.00 39.78 38.49 1x43 n ASN 16 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1x43 n ASN 17 N -3.75 -2.74 -4.98 6.41 3.02 -1.26 -5.02 115.26 106.95 1x43 n ASN 17 Ca -0.06 -0.36 -0.20 0.00 -0.03 0.00 0.00 54.58 53.93 1x43 n ASN 17 Cb 0.21 -1.02 0.02 0.00 -0.61 0.00 0.00 39.78 38.39 1x43 n ASN 17 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1x43 s ARG 18 N -4.06 2.75 -0.01 3.52 0.52 0.42 -4.94 118.95 117.15 1x43 s ARG 18 Ca 0.59 -0.90 0.02 0.00 -0.52 0.00 0.00 55.73 54.92 1x43 s ARG 18 Cb -0.15 -2.61 -0.00 0.00 0.52 0.00 0.00 34.95 32.71 1x43 s ARG 18 CO 0.59 -0.45 -0.07 0.15 0.02 0.00 0.00 175.30 175.53 1x43 s LYS 19 N -4.56 0.66 0.02 3.54 -0.14 -1.26 -0.93 119.74 117.07 1x43 s LYS 19 Ca 0.54 -0.25 -0.10 0.00 -1.36 0.00 0.00 55.97 54.80 1x43 s LYS 19 Cb -0.10 -0.64 0.01 0.00 -1.68 0.00 0.00 37.83 35.41 1x43 s LYS 19 CO 0.36 0.13 0.20 0.00 -0.76 0.00 0.00 175.35 175.28 1x43 s ALA 20 N -0.01 -0.43 -0.14 5.17 0.00 -1.19 -2.45 121.76 122.71 1x43 s ALA 20 Ca 0.01 -0.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.73 1x43 s ALA 20 Cb -0.05 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 1x43 s ALA 20 CO -0.00 -0.29 0.25 0.50 0.00 0.00 0.00 175.76 176.22 1x43 s ARG 21 N -1.92 4.08 0.13 0.00 3.52 -1.23 -2.56 118.95 120.97 1x43 s ARG 21 Ca -0.10 0.04 -0.31 0.00 -0.13 0.00 0.00 55.73 55.23 1x43 s ARG 21 Cb -0.04 -3.37 -0.07 0.00 -1.56 0.00 0.00 34.95 29.91 1x43 s ARG 21 CO -0.00 0.38 1.28 0.08 -0.81 0.00 0.00 175.30 176.23 1x43 s VAL 22 N 0.05 3.56 -0.10 7.11 1.01 0.99 -1.98 120.40 131.03 1x43 s VAL 22 Ca 0.15 1.18 0.16 0.00 0.00 0.00 0.00 61.98 63.47 1x43 s VAL 22 Cb -0.13 -3.76 -0.16 0.00 0.00 0.00 0.00 36.38 32.34 1x43 s VAL 22 CO 0.04 0.13 0.79 0.18 0.00 0.00 0.00 175.10 176.23 1x43 n LEU 23 N 3.43 0.87 -3.67 3.92 4.77 0.38 -2.23 117.00 124.47 1x43 n LEU 23 Ca 0.08 0.39 -0.15 0.00 -0.03 0.00 0.00 56.01 56.31 1x43 n LEU 23 Cb 0.44 0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1x43 n LEU 23 CO 0.57 0.20 0.21 -0.31 -1.33 0.00 0.00 177.39 176.72 1x43 s TYR 24 N -2.85 -0.47 0.13 -1.77 1.51 -1.26 -4.73 117.35 107.91 1x43 s TYR 24 Ca -0.03 0.97 -0.31 0.00 -1.01 0.00 0.00 57.07 56.69 1x43 s TYR 24 Cb 0.08 0.22 -0.09 0.00 -0.11 0.00 0.00 41.96 42.06 1x43 s TYR 24 CO 0.81 -0.39 1.58 0.16 -1.11 0.00 0.00 175.55 176.60 1x43 s ASP 25 N -0.60 6.61 -0.12 2.29 -4.77 -1.26 -4.49 116.67 114.33 1x43 s ASP 25 Ca -0.07 2.55 -0.00 0.00 -3.30 0.00 0.00 52.55 51.72 1x43 s ASP 25 Cb -0.03 -2.58 -0.02 0.00 -1.09 0.00 0.00 42.92 39.20 1x43 s ASP 25 CO 0.04 -0.83 -0.12 -0.47 0.70 0.00 0.00 175.17 174.50 1x43 s TYR 26 N 1.63 2.84 -0.51 2.11 5.04 0.65 -4.91 117.35 124.19 1x43 s TYR 26 Ca 0.71 -0.51 -0.17 0.00 -2.44 0.00 0.00 57.07 54.66 1x43 s TYR 26 Cb -0.42 -1.83 0.09 0.00 0.35 0.00 0.00 41.96 40.15 1x43 s TYR 26 CO 0.31 -0.12 0.50 0.16 -1.34 0.00 0.00 175.55 175.07 1x43 s ASP 27 N 0.19 6.18 0.14 4.32 -4.77 -1.26 0.16 116.67 121.63 1x43 s ASP 27 Ca -0.07 -1.37 -0.35 0.00 -3.30 0.00 0.00 52.55 47.47 1x43 s ASP 27 Cb -0.15 -2.23 -0.15 0.00 -1.09 0.00 0.00 42.92 39.30 1x43 s ASP 27 CO 0.05 -0.80 1.36 0.00 0.70 0.00 0.00 175.17 176.47 1x43 n ALA 28 N 5.54 -0.20 0.05 2.11 0.00 -1.26 -4.89 120.51 121.87 1x43 n ALA 28 Ca -0.11 0.48 -0.13 0.00 0.00 0.00 0.00 53.44 53.68 1x43 n ALA 28 Cb 0.43 -2.15 -0.14 0.00 0.00 0.00 0.00 19.45 17.60 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 4.53 0.36 -2.46 0.00 0.00 -1.92 -3.48 119.26 116.29 1x43 h ALA 29 Ca -0.46 -1.10 -0.19 0.00 0.00 0.00 0.00 54.91 53.17 1x43 h ALA 29 Cb 1.31 0.17 -0.15 0.00 0.00 0.00 0.00 17.79 19.13 1x43 h ALA 29 CO 0.78 1.23 -0.63 0.54 0.00 0.00 0.00 179.25 181.17 1x43 s ASN 30 N -6.78 0.27 0.13 0.00 6.03 -1.26 -5.04 114.94 108.29 1x43 s ASN 30 Ca -0.05 -1.22 -0.32 0.00 -1.03 0.00 0.00 52.86 50.24 1x43 s ASN 30 Cb 0.08 0.32 -0.09 0.00 -3.03 0.00 0.00 41.25 38.52 1x43 s ASN 30 CO 0.84 -0.75 1.55 -1.28 -2.03 0.00 0.00 177.10 175.43 1x43 h SER 31 N 2.81 -1.78 -1.39 3.54 0.87 -1.99 0.20 113.55 115.81 1x43 h SER 31 Ca -0.35 0.24 0.47 0.00 -1.23 0.00 0.00 61.79 60.92 1x43 h SER 31 Cb 1.21 0.73 -0.13 0.00 -0.44 0.00 0.00 62.40 63.77 1x43 h SER 31 CO 0.58 -0.41 0.91 0.35 -0.53 0.00 0.00 176.83 177.72 1x43 n THR 32 N -5.39 -0.22 -3.42 2.23 -2.24 -1.26 -4.27 114.28 99.71 1x43 n THR 32 Ca -0.03 1.71 -0.32 0.00 -2.27 0.00 0.00 64.05 63.14 1x43 n THR 32 Cb 0.35 -2.81 -0.05 0.00 -2.10 0.00 0.00 70.33 65.72 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 -5.15 3.81 0.08 -0.78 2.02 0.72 0.57 118.70 119.97 1x43 s GLU 33 Ca -0.07 0.29 0.07 0.00 0.02 0.00 0.00 54.97 55.28 1x43 s GLU 33 Cb 0.29 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 1x43 s GLU 33 CO 0.80 0.33 -0.14 -0.51 0.02 0.00 0.00 175.26 175.76 1x43 s LEU 34 N -2.74 2.83 0.04 1.80 1.43 -1.15 -4.67 118.68 116.23 1x43 s LEU 34 Ca 0.46 -0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 52.87 1x43 s LEU 34 Cb -0.11 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 1x43 s LEU 34 CO 0.21 0.22 0.89 -0.44 0.23 0.00 0.00 176.35 177.46 1x43 s SER 35 N -1.85 7.34 0.22 2.29 0.01 -1.26 -4.17 113.70 116.27 1x43 s SER 35 Ca 0.18 1.61 0.08 0.00 1.31 0.00 0.00 55.95 59.13 1x43 s SER 35 Cb -0.11 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 1x43 s SER 35 CO 0.09 -0.11 0.01 -0.76 0.41 0.00 0.00 173.24 172.88 1x43 s LEU 36 N 0.35 3.28 0.20 2.44 1.43 0.12 -4.91 118.68 121.60 1x43 s LEU 36 Ca 0.45 -0.50 0.11 0.00 -1.03 0.00 0.00 54.13 53.16 1x43 s LEU 36 Cb -0.21 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1x43 s LEU 36 CO 0.26 0.04 -0.21 -0.76 0.23 0.00 0.00 176.35 175.92 1x43 s LEU 37 N -3.30 2.47 0.04 1.79 1.43 -1.26 -0.26 118.68 119.59 1x43 s LEU 37 Ca 0.29 -0.90 -0.30 0.00 -1.03 0.00 0.00 54.13 52.19 1x43 s LEU 37 Cb -0.08 -1.04 -0.05 0.00 0.03 0.00 0.00 46.19 45.06 1x43 s LEU 37 CO 0.19 0.05 1.15 0.00 0.23 0.00 0.00 176.35 177.97 1x43 s ALA 38 N -1.99 3.35 -0.33 4.21 0.00 -1.26 -3.48 121.76 122.26 1x43 s ALA 38 Ca 0.21 0.75 -0.02 0.00 0.00 0.00 0.00 51.96 52.91 1x43 s ALA 38 Cb -0.06 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1x43 s ALA 38 CO 0.10 -0.42 0.29 -0.25 0.00 0.00 0.00 175.76 175.48 1x43 n ASP 39 N 4.04 -2.80 -3.83 0.00 8.00 -0.95 -4.95 116.55 116.07 1x43 n ASP 39 Ca 0.08 -0.14 -0.17 0.00 0.71 0.00 0.00 54.79 55.28 1x43 n ASP 39 Cb 0.47 -1.65 -0.16 0.00 -0.02 0.00 0.00 41.12 39.76 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 -5.05 0.30 -0.27 -1.24 -1.05 -1.23 -4.93 118.70 105.23 1x43 s GLU 40 Ca 0.11 0.05 -0.08 0.00 -0.15 0.00 0.00 54.97 54.90 1x43 s GLU 40 Cb -0.05 -0.45 -0.03 0.00 -0.44 0.00 0.00 34.13 33.16 1x43 s GLU 40 CO 0.18 -0.11 0.11 0.08 0.95 0.00 0.00 175.26 176.47 1x43 s VAL 41 N 0.89 4.55 0.46 1.83 1.01 -1.26 -0.01 120.40 127.87 1x43 s VAL 41 Ca -0.09 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1x43 s VAL 41 Cb -0.12 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1x43 s VAL 41 CO -0.02 0.27 0.15 0.27 0.00 0.00 0.00 175.10 175.78 1x43 s ILE 42 N 1.64 1.90 -0.39 2.22 -4.36 -1.06 -4.93 121.20 116.22 1x43 s ILE 42 Ca 0.06 -1.78 -0.23 0.00 -0.26 0.00 0.00 60.65 58.44 1x43 s ILE 42 Cb -0.16 -2.67 0.01 0.00 1.25 0.00 0.00 42.46 40.89 1x43 s ILE 42 CO 0.05 0.00 0.79 -0.89 0.24 0.00 0.00 174.94 175.13 1x43 s THR 43 N -2.71 4.71 -0.06 8.37 2.01 -1.26 -3.17 115.64 123.53 1x43 s THR 43 Ca 0.31 0.77 0.02 0.00 0.31 0.00 0.00 61.69 63.10 1x43 s THR 43 Cb 0.03 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 1x43 s THR 43 CO 0.17 -0.51 -0.09 0.68 -0.69 0.00 0.00 174.62 174.18 1x43 s VAL 44 N 3.17 3.49 -0.06 3.82 -7.23 -0.11 -1.86 120.40 121.63 1x43 s VAL 44 Ca 0.31 -0.58 -0.19 0.00 -1.81 0.00 0.00 61.98 59.70 1x43 s VAL 44 Cb -0.13 -2.42 0.04 0.00 0.56 0.00 0.00 36.38 34.44 1x43 s VAL 44 CO 0.19 0.58 0.44 0.72 -0.31 0.00 0.00 175.10 176.72 1x43 s PHE 45 N -0.80 -0.38 0.69 2.82 -0.71 -0.50 -0.44 117.98 118.66 1x43 s PHE 45 Ca 0.12 0.70 -0.11 0.00 -1.04 0.00 0.00 56.93 56.61 1x43 s PHE 45 Cb -0.11 0.20 0.01 0.00 -1.21 0.00 0.00 43.02 41.90 1x43 s PHE 45 CO 0.02 -0.42 1.06 -1.12 -1.34 0.00 0.00 175.22 173.41 1x43 s SER 46 N -0.97 5.42 -0.15 1.98 0.01 -1.26 0.66 113.70 119.39 1x43 s SER 46 Ca -0.10 1.58 -0.08 0.00 1.31 0.00 0.00 55.95 58.66 1x43 s SER 46 Cb -0.03 -2.47 0.05 0.00 0.21 0.00 0.00 66.02 63.78 1x43 s SER 46 CO 0.05 -1.41 0.37 -0.69 0.41 0.00 0.00 173.24 171.96 1x43 s VAL 47 N -3.06 -0.03 0.04 3.43 1.01 -1.26 -4.85 120.40 115.68 1x43 s VAL 47 Ca 0.58 0.10 -0.38 0.00 0.00 0.00 0.00 61.98 62.28 1x43 s VAL 47 Cb -0.14 -0.55 -0.19 0.00 0.00 0.00 0.00 36.38 35.51 1x43 s VAL 47 CO 0.55 0.04 1.16 0.52 0.00 0.00 0.00 175.10 177.37 1x43 n VAL 48 N 4.18 0.05 -1.08 2.92 0.31 -1.26 -0.58 118.33 122.87 1x43 n VAL 48 Ca -0.23 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1x43 n VAL 48 Cb 0.55 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 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 1.90 0.38 3.83 2.92 0.00 -1.26 -5.05 105.19 107.91 1x43 n GLY 49 Ca 0.19 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.15 3.08 0.26 1.61 0.00 0.25 -5.10 119.30 117.25 1x43 s MET 50 Ca 0.00 -0.63 -0.29 0.00 0.00 0.00 0.00 55.69 54.77 1x43 s MET 50 Cb 0.00 -2.82 -0.09 0.00 0.00 0.00 0.00 34.83 31.92 1x43 s MET 50 CO 0.00 0.57 0.93 -0.51 0.00 0.00 0.00 175.02 176.01 1x43 s ASP 51 N -2.56 7.54 0.66 1.11 1.01 -1.26 -4.93 116.67 118.25 1x43 s ASP 51 Ca 0.31 1.90 0.43 0.00 0.71 0.00 0.00 52.55 55.91 1x43 s ASP 51 Cb -0.12 -2.59 2.38 0.00 1.01 0.00 0.00 42.92 43.59 1x43 s ASP 51 CO 0.24 0.09 2.36 0.28 0.21 0.00 0.00 175.17 178.35 1x43 h SER 52 N 3.86 0.00 -0.51 0.27 0.02 -2.00 0.19 113.55 115.39 1x43 h SER 52 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1x43 h SER 52 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1x43 h SER 52 CO 0.67 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.83 1x43 n ASP 53 N -3.13 3.78 -3.70 3.07 9.92 -1.26 -4.84 116.55 120.38 1x43 n ASP 53 Ca -0.03 -2.34 -0.11 0.00 -0.53 0.00 0.00 54.79 51.78 1x43 n ASP 53 Cb 0.08 -0.50 -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 -1.77 -0.60 0.49 1.24 0.52 0.66 -2.82 118.94 116.67 1x43 s TRP 54 Ca 0.40 1.31 0.03 0.00 0.02 0.00 0.00 56.10 57.85 1x43 s TRP 54 Cb 0.25 0.26 -0.02 0.00 -1.15 0.00 0.00 33.47 32.81 1x43 s TRP 54 CO 0.19 -0.32 0.05 -0.51 0.02 0.00 0.00 176.95 176.38 1x43 s LEU 55 N 1.08 2.48 -0.59 2.99 1.43 0.41 -4.15 118.68 122.34 1x43 s LEU 55 Ca -0.07 -1.53 -0.20 0.00 -1.03 0.00 0.00 54.13 51.30 1x43 s LEU 55 Cb -0.07 -0.85 0.08 0.00 0.03 0.00 0.00 46.19 45.39 1x43 s LEU 55 CO -0.09 -0.79 0.76 -0.32 0.23 0.00 0.00 176.35 176.13 1x43 s MET 56 N -3.89 3.09 0.03 1.70 1.75 0.21 -0.71 119.30 121.48 1x43 s MET 56 Ca 0.15 -1.05 -0.12 0.00 -1.25 0.00 0.00 55.69 53.43 1x43 s MET 56 Cb 0.03 -4.21 -0.06 0.00 2.84 0.00 0.00 34.83 33.43 1x43 s MET 56 CO 0.08 -1.54 0.38 0.20 -0.65 0.00 0.00 175.02 173.49 1x43 s GLY 57 N 3.40 2.38 -0.21 2.11 0.00 -0.12 -1.41 107.32 113.46 1x43 s GLY 57 Ca 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.54 1x43 s GLY 57 CO 0.09 -0.06 -0.05 1.85 0.00 0.00 0.00 173.10 174.94 1x43 s GLU 58 N -1.47 1.54 0.02 2.90 2.12 -0.77 -1.72 118.70 121.32 1x43 s GLU 58 Ca 0.27 -0.83 -0.06 0.00 0.36 0.00 0.00 54.97 54.71 1x43 s GLU 58 Cb -0.15 -2.42 -0.01 0.00 0.26 0.00 0.00 34.13 31.82 1x43 s GLU 58 CO 0.15 -0.55 0.12 0.50 -0.54 0.00 0.00 175.26 174.93 1x43 s ARG 59 N 1.48 0.55 -1.03 4.30 3.52 -0.43 -4.00 118.95 123.36 1x43 s ARG 59 Ca -0.04 -0.60 -0.18 0.00 -0.13 0.00 0.00 55.73 54.78 1x43 s ARG 59 Cb -0.18 0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.45 1x43 s ARG 59 CO -0.07 -0.14 0.66 0.41 -0.81 0.00 0.00 175.30 175.35 1x43 n GLY 60 N 1.05 -1.07 2.98 8.12 0.00 -1.26 0.62 105.19 115.63 1x43 n GLY 60 Ca -0.21 0.47 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.38 -1.18 -4.29 1.61 4.13 -1.26 -4.85 115.26 107.03 1x43 n ASN 61 Ca -0.20 -0.00 -0.16 0.00 1.68 0.00 0.00 54.58 55.90 1x43 n ASN 61 Cb 0.62 -1.11 -0.10 0.00 -1.54 0.00 0.00 39.78 37.64 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 -5.38 1.27 0.00 3.52 -0.21 0.20 -5.17 119.66 113.89 1x43 s GLN 62 Ca 0.23 -1.64 -0.04 0.00 0.02 0.00 0.00 55.36 53.92 1x43 s GLN 62 Cb -0.13 -0.39 -0.00 0.00 1.00 0.00 0.00 33.01 33.48 1x43 s GLN 62 CO 0.28 -0.16 0.08 0.15 -2.12 0.00 0.00 175.29 173.52 1x43 s LYS 63 N -3.93 0.37 0.01 2.91 1.02 -1.26 -1.31 119.74 117.54 1x43 s LYS 63 Ca 0.29 -0.37 -0.20 0.00 0.02 0.00 0.00 55.97 55.71 1x43 s LYS 63 Cb 0.06 0.15 0.07 0.00 -0.52 0.00 0.00 37.83 37.59 1x43 s LYS 63 CO 0.08 -0.08 0.90 0.41 -0.92 0.00 0.00 175.35 175.74 1x43 n GLY 64 N 1.77 0.40 3.74 -3.33 0.00 -0.70 -4.79 105.19 102.28 1x43 n GLY 64 Ca -0.21 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 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 4.53 -0.07 1.61 1.02 0.19 -0.95 119.74 124.06 1x43 s LYS 65 Ca 0.21 1.14 0.04 0.00 0.02 0.00 0.00 55.97 57.38 1x43 s LYS 65 Cb -0.01 -3.37 -0.00 0.00 -0.52 0.00 0.00 37.83 33.93 1x43 s LYS 65 CO 0.00 0.25 -0.21 0.14 -0.92 0.00 0.00 175.35 174.62 1x43 s VAL 66 N 0.03 1.75 -0.08 3.17 -7.23 0.11 -2.93 120.40 115.22 1x43 s VAL 66 Ca 0.40 -0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 59.42 1x43 s VAL 66 Cb -0.21 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 1x43 s VAL 66 CO 0.24 0.49 1.52 -2.16 -0.31 0.00 0.00 175.10 174.88 1x43 s PRO 67 N 0.24 4.21 0.34 4.82 0.04 -1.26 -0.44 135.00 142.95 1x43 s PRO 67 Ca -0.12 2.01 0.04 0.00 0.04 0.00 0.00 61.00 62.97 1x43 s PRO 67 Cb -0.15 -3.88 0.63 0.00 0.04 0.00 0.00 34.50 31.14 1x43 s PRO 67 CO 0.05 -0.78 1.92 0.82 0.04 0.00 0.00 177.00 179.06 1x43 h ILE 68 N 5.48 1.18 0.00 0.56 5.03 -1.84 -1.62 117.51 126.29 1x43 h ILE 68 Ca -0.35 -0.61 0.00 0.00 -0.12 0.00 0.00 64.86 63.78 1x43 h ILE 68 Cb 1.16 0.72 0.00 0.00 -3.03 0.00 0.00 36.82 35.67 1x43 h ILE 68 CO 0.95 0.23 0.12 0.71 -0.68 0.00 0.00 178.15 179.48 1x43 h THR 69 N 0.60 0.00 0.00 -0.27 1.35 -1.91 0.23 112.91 112.92 1x43 h THR 69 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.00 1x43 h THR 69 Cb 0.19 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 1x43 h THR 69 CO -0.01 0.00 -1.04 -1.22 -0.25 0.00 0.00 175.52 173.01 1x43 n TYR 70 N -2.77 0.00 -4.53 4.73 4.02 -0.63 -4.94 117.16 113.03 1x43 n TYR 70 Ca -0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.53 1x43 n TYR 70 Cb 0.17 -0.09 -0.11 0.00 -0.02 0.00 0.00 39.34 39.30 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 -3.13 3.31 -0.78 7.72 1.43 0.82 -0.47 118.68 127.59 1x43 s LEU 71 Ca 0.04 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1x43 s LEU 71 Cb 0.13 -1.74 0.19 0.00 0.03 0.00 0.00 46.19 44.80 1x43 s LEU 71 CO 0.73 0.36 0.61 -0.70 0.23 0.00 0.00 176.35 177.58 1x43 s GLU 72 N -0.78 2.81 -0.64 1.70 2.12 -0.84 -4.83 118.70 118.24 1x43 s GLU 72 Ca 0.12 -3.31 -0.33 0.00 0.36 0.00 0.00 54.97 51.81 1x43 s GLU 72 Cb -0.11 -3.65 -0.18 0.00 0.26 0.00 0.00 34.13 30.45 1x43 s GLU 72 CO 0.02 -1.27 2.09 1.28 -0.54 0.00 0.00 175.26 176.83 1x43 n LEU 73 N 2.14 0.45 -4.62 2.70 4.77 -1.26 -3.56 117.00 117.63 1x43 n LEU 73 Ca 0.20 0.38 -0.43 0.00 -0.03 0.00 0.00 56.01 56.13 1x43 n LEU 73 Cb 0.36 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 40.63 1x43 n LEU 73 CO 0.31 -0.64 1.44 -0.76 -1.33 0.00 0.00 177.39 176.41 1x43 s LEU 74 N 6.46 3.79 0.51 2.23 1.43 -1.02 -4.98 118.68 127.10 1x43 s LEU 74 Ca 1.11 1.59 -0.18 0.00 -1.03 0.00 0.00 54.13 55.61 1x43 s LEU 74 Cb -1.20 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.42 1x43 s LEU 74 CO 0.50 -1.40 1.00 0.54 0.23 0.00 0.00 176.35 177.22 1x43 s ASN 75 N 4.92 6.47 -0.34 2.29 4.22 -1.26 -4.87 114.94 126.38 1x43 s ASN 75 Ca 0.76 1.71 0.02 0.00 -2.14 0.00 0.00 52.86 53.21 1x43 s ASN 75 Cb -0.25 -2.53 0.09 0.00 1.28 0.00 0.00 41.25 39.84 1x43 s ASN 75 CO 0.31 -0.69 0.06 -0.44 -2.04 0.00 0.00 177.10 174.30 1x43 s SER 76 N -2.61 4.84 0.28 3.54 0.01 -1.26 -5.03 113.70 113.47 1x43 s SER 76 Ca 0.62 -1.94 0.00 0.00 1.31 0.00 0.00 55.95 55.94 1x43 s SER 76 Cb -0.12 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.44 1x43 s SER 76 CO 0.26 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1x43 n GLY 77 N 4.39 -3.27 3.77 3.44 0.00 -1.26 -4.89 105.19 107.36 1x43 n GLY 77 Ca -0.02 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 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 -4.35 4.33 -0.72 1.61 0.04 -1.26 -4.99 135.00 129.66 1x43 s PRO 78 Ca 0.00 2.00 -0.17 0.00 0.04 0.00 0.00 61.00 62.87 1x43 s PRO 78 Cb 0.00 -2.97 0.15 0.00 0.04 0.00 0.00 34.50 31.71 1x43 s PRO 78 CO 0.00 -0.13 0.77 -1.54 0.04 0.00 0.00 177.00 176.13 1x43 s SER 79 N -0.78 6.44 0.08 6.66 1.04 -1.26 -4.91 113.70 120.97 1x43 s SER 79 Ca 0.50 -1.98 -0.23 0.00 0.48 0.00 0.00 55.95 54.72 1x43 s SER 79 Cb -0.35 -2.28 -0.15 0.00 0.10 0.00 0.00 66.02 63.34 1x43 s SER 79 CO 0.46 -0.90 1.71 -1.28 0.98 0.00 0.00 173.24 174.21 1x43 h SER 80 N 8.65 0.01 0.00 7.02 0.87 -2.02 -3.56 113.55 124.51 1x43 h SER 80 Ca -0.09 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1x43 h SER 80 Cb 1.06 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1x43 h SER 80 CO 0.98 0.04 0.00 0.61 -0.53 0.00 0.00 176.83 177.93