#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 -0.23 -0.22 1.61 1.04 -1.26 -5.15 113.70 109.49 1x43 s SER 2 Ca 0.00 0.76 -0.22 0.00 0.48 0.00 0.00 55.95 56.97 1x43 s SER 2 Cb 0.00 0.78 0.06 0.00 0.10 0.00 0.00 66.02 66.96 1x43 s SER 2 CO 0.00 -0.20 0.62 -0.55 0.98 0.00 0.00 173.24 174.09 1x43 s SER 3 N 1.80 -0.64 -0.61 7.02 0.15 -1.26 -5.10 113.70 115.06 1x43 s SER 3 Ca -0.06 1.19 0.06 0.00 0.70 0.00 0.00 55.95 57.84 1x43 s SER 3 Cb -0.10 1.20 0.22 0.00 -1.71 0.00 0.00 66.02 65.63 1x43 s SER 3 CO -0.11 -0.25 0.62 0.61 1.20 0.00 0.00 173.24 175.31 1x43 n GLY 4 N 2.60 4.12 3.72 9.45 0.00 -1.26 -5.09 105.19 118.73 1x43 n GLY 4 Ca -0.14 -2.44 -0.42 0.00 0.00 0.00 0.00 46.02 43.01 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 -1.83 6.53 0.18 1.61 0.15 -1.26 -4.99 113.70 114.10 1x43 s SER 5 Ca 0.35 2.68 -0.22 0.00 0.70 0.00 0.00 55.95 59.45 1x43 s SER 5 Cb 0.09 -2.59 0.06 0.00 -1.71 0.00 0.00 66.02 61.87 1x43 s SER 5 CO -0.08 -0.86 0.60 -0.44 1.20 0.00 0.00 173.24 173.66 1x43 s SER 6 N 1.19 -0.49 0.00 5.45 0.01 -1.26 -5.06 113.70 113.54 1x43 s SER 6 Ca 0.71 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.84 1x43 s SER 6 Cb -0.45 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1x43 s SER 6 CO 0.31 -1.03 0.00 0.61 0.41 0.00 0.00 173.24 173.55 1x43 n GLY 7 N -0.38 0.58 3.44 3.44 0.00 -1.26 -5.16 105.19 105.85 1x43 n GLY 7 Ca -0.15 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 0.60 -0.07 0.99 2.34 -1.26 -5.09 118.68 116.20 1x43 s LEU 8 Ca 0.00 -0.82 -0.03 0.00 0.06 0.00 0.00 54.13 53.34 1x43 s LEU 8 Cb 0.00 1.52 -0.03 0.00 -0.56 0.00 0.00 46.19 47.12 1x43 s LEU 8 CO 0.00 -0.99 -0.08 -0.46 -1.06 0.00 0.00 176.35 173.75 1x43 n ASN 9 N -0.29 0.94 -4.03 1.48 6.94 -1.26 -5.03 115.26 114.01 1x43 n ASN 9 Ca -0.06 0.06 -0.30 0.00 -0.02 0.00 0.00 54.58 54.27 1x43 n ASN 9 Cb 0.63 -0.18 -0.01 0.00 -2.36 0.00 0.00 39.78 37.85 1x43 n ASN 9 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1x43 n ASP 10 N -3.21 -2.29 -2.15 0.53 9.92 -1.26 -4.86 116.55 113.23 1x43 n ASP 10 Ca -0.13 -0.95 -0.29 0.00 -0.53 0.00 0.00 54.79 52.89 1x43 n ASP 10 Cb 0.60 -3.17 0.06 0.00 -0.64 0.00 0.00 41.12 37.97 1x43 n ASP 10 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1x43 n LEU 11 N -4.44 6.38 -4.02 0.64 4.77 -1.26 -4.96 117.00 114.11 1x43 n LEU 11 Ca -0.11 -4.45 -0.24 0.00 -0.03 0.00 0.00 56.01 51.19 1x43 n LEU 11 Cb 0.59 -0.70 -0.16 0.00 -2.33 0.00 0.00 43.42 40.82 1x43 n LEU 11 CO 0.79 1.72 -0.46 -1.59 -1.33 0.00 0.00 177.39 176.51 1x43 s LYS 12 N -3.70 1.57 -0.34 3.23 -2.85 -1.26 -5.03 119.74 111.37 1x43 s LYS 12 Ca 0.58 -0.40 -0.01 0.00 -1.00 0.00 0.00 55.97 55.14 1x43 s LYS 12 Cb 0.46 -1.33 0.20 0.00 -2.06 0.00 0.00 37.83 35.10 1x43 s LYS 12 CO 0.01 0.05 2.13 -0.85 0.10 0.00 0.00 175.35 176.79 1x43 n GLU 13 N 3.72 1.90 -3.75 1.78 0.28 -1.26 -4.74 120.64 118.57 1x43 n GLU 13 Ca -0.22 -1.70 -0.34 0.00 -0.16 0.00 0.00 57.16 54.74 1x43 n GLU 13 Cb 0.52 -1.70 -0.10 0.00 1.43 0.00 0.00 31.44 31.59 1x43 n GLU 13 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1x43 s SER 14 N 0.17 5.25 -0.60 -1.84 1.04 -1.26 -5.02 113.70 111.44 1x43 s SER 14 Ca 0.36 -3.26 -0.05 0.00 0.48 0.00 0.00 55.95 53.48 1x43 s SER 14 Cb 0.27 -1.81 0.16 0.00 0.10 0.00 0.00 66.02 64.73 1x43 s SER 14 CO -0.03 -0.26 0.43 -0.44 0.98 0.00 0.00 173.24 173.92 1x43 s SER 15 N 0.02 5.47 -1.07 7.02 0.01 -1.26 -5.01 113.70 118.88 1x43 s SER 15 Ca 0.21 -2.61 -0.12 0.00 1.31 0.00 0.00 55.95 54.74 1x43 s SER 15 Cb -0.15 -1.91 0.22 0.00 0.21 0.00 0.00 66.02 64.39 1x43 s SER 15 CO -0.07 -0.45 1.14 0.20 0.41 0.00 0.00 173.24 174.46 1x43 s ASN 16 N 1.25 7.09 -0.23 2.44 -0.87 -1.26 -4.94 114.94 118.42 1x43 s ASN 16 Ca 0.14 -3.13 -0.30 0.00 -1.57 0.00 0.00 52.86 48.01 1x43 s ASN 16 Cb -0.20 -2.28 0.16 0.00 -0.02 0.00 0.00 41.25 38.91 1x43 s ASN 16 CO -0.04 -0.54 1.20 0.54 -2.57 0.00 0.00 177.10 175.70 1x43 s ASN 17 N 2.10 -0.18 0.34 -1.22 4.22 -1.26 -5.09 114.94 113.85 1x43 s ASN 17 Ca 0.32 0.18 -0.01 0.00 -2.14 0.00 0.00 52.86 51.21 1x43 s ASN 17 Cb -0.08 0.15 -0.04 0.00 1.28 0.00 0.00 41.25 42.56 1x43 s ASN 17 CO -0.06 -0.17 0.56 -0.13 -2.04 0.00 0.00 177.10 175.26 1x43 s ARG 18 N -1.15 3.52 -0.02 3.55 0.52 -0.81 -4.96 118.95 119.60 1x43 s ARG 18 Ca 0.05 -0.24 0.05 0.00 -0.52 0.00 0.00 55.73 55.07 1x43 s ARG 18 Cb -0.01 -2.65 -0.01 0.00 0.52 0.00 0.00 34.95 32.81 1x43 s ARG 18 CO -0.04 0.14 -0.17 0.15 0.02 0.00 0.00 175.30 175.40 1x43 s LYS 19 N -4.17 1.48 0.03 3.54 -0.14 -1.26 -1.18 119.74 118.04 1x43 s LYS 19 Ca 0.41 -0.61 -0.09 0.00 -1.36 0.00 0.00 55.97 54.31 1x43 s LYS 19 Cb -0.10 -1.40 0.00 0.00 -1.68 0.00 0.00 37.83 34.66 1x43 s LYS 19 CO 0.35 0.34 0.19 0.00 -0.76 0.00 0.00 175.35 175.48 1x43 s ALA 20 N -0.30 -0.38 -0.16 5.17 0.00 -1.20 -3.57 121.76 121.31 1x43 s ALA 20 Ca 0.04 -0.21 -0.07 0.00 0.00 0.00 0.00 51.96 51.73 1x43 s ALA 20 Cb -0.08 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1x43 s ALA 20 CO -0.00 -0.32 0.08 0.50 0.00 0.00 0.00 175.76 176.02 1x43 s ARG 21 N -2.22 3.75 0.41 0.00 3.52 -1.18 -2.82 118.95 120.42 1x43 s ARG 21 Ca -0.08 -0.29 -0.23 0.00 -0.13 0.00 0.00 55.73 55.00 1x43 s ARG 21 Cb -0.03 -3.18 -0.09 0.00 -1.56 0.00 0.00 34.95 30.10 1x43 s ARG 21 CO -0.02 0.44 1.04 0.08 -0.81 0.00 0.00 175.30 176.03 1x43 s VAL 22 N -0.10 3.79 -0.11 7.11 1.01 0.13 0.02 120.40 132.24 1x43 s VAL 22 Ca 0.08 1.31 0.16 0.00 0.00 0.00 0.00 61.98 63.53 1x43 s VAL 22 Cb -0.12 -3.65 -0.23 0.00 0.00 0.00 0.00 36.38 32.38 1x43 s VAL 22 CO 0.01 -0.05 0.19 0.18 0.00 0.00 0.00 175.10 175.42 1x43 n LEU 23 N -0.24 0.00 -3.79 3.92 4.77 0.15 -2.42 117.00 119.39 1x43 n LEU 23 Ca 0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.91 1x43 n LEU 23 Cb 0.50 0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 41.76 1x43 n LEU 23 CO 0.43 0.26 -0.04 -0.31 -1.33 0.00 0.00 177.39 176.41 1x43 s TYR 24 N -2.73 -0.18 -0.13 -1.77 1.51 -1.26 -4.58 117.35 108.21 1x43 s TYR 24 Ca -0.08 0.36 -0.29 0.00 -1.01 0.00 0.00 57.07 56.05 1x43 s TYR 24 Cb 0.07 0.07 -0.05 0.00 -0.11 0.00 0.00 41.96 41.95 1x43 s TYR 24 CO 0.71 -0.29 1.77 -0.51 -1.11 0.00 0.00 175.55 176.12 1x43 s ASP 25 N -0.85 6.36 0.05 2.29 1.11 -1.26 -4.40 116.67 119.97 1x43 s ASP 25 Ca -0.09 2.02 0.00 0.00 0.18 0.00 0.00 52.55 54.65 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 -1.22 0.19 -0.47 1.18 0.00 0.00 175.17 174.88 1x43 s TYR 26 N 5.14 3.48 -0.29 4.23 5.04 0.45 -4.91 117.35 130.49 1x43 s TYR 26 Ca 0.79 0.24 0.03 0.00 -2.44 0.00 0.00 57.07 55.69 1x43 s TYR 26 Cb -0.31 -1.75 0.08 0.00 0.35 0.00 0.00 41.96 40.32 1x43 s TYR 26 CO 0.32 0.59 -0.02 -0.51 -1.34 0.00 0.00 175.55 174.58 1x43 s ASP 27 N -2.42 4.46 -0.07 4.32 1.01 -1.26 -0.56 116.67 122.15 1x43 s ASP 27 Ca 0.33 -1.69 -0.36 0.00 0.71 0.00 0.00 52.55 51.55 1x43 s ASP 27 Cb -0.13 -1.48 -0.13 0.00 1.01 0.00 0.00 42.92 42.18 1x43 s ASP 27 CO 0.26 -0.29 1.74 0.00 0.21 0.00 0.00 175.17 177.10 1x43 n ALA 28 N 4.42 0.56 -0.07 5.23 0.00 -1.25 -4.87 120.51 124.52 1x43 n ALA 28 Ca -0.06 0.36 -0.15 0.00 0.00 0.00 0.00 53.44 53.59 1x43 n ALA 28 Cb 0.42 -2.37 -0.05 0.00 0.00 0.00 0.00 19.45 17.45 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 7.72 0.41 -1.76 0.00 0.00 -1.92 -3.47 119.26 120.25 1x43 h ALA 29 Ca -0.47 -0.49 -0.53 0.00 0.00 0.00 0.00 54.91 53.41 1x43 h ALA 29 Cb 1.28 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.87 1x43 h ALA 29 CO 0.92 0.59 -0.53 0.54 0.00 0.00 0.00 179.25 180.77 1x43 s ASN 30 N -6.84 2.62 0.13 0.00 2.20 -1.26 -5.03 114.94 106.75 1x43 s ASN 30 Ca -0.11 -1.62 -0.20 0.00 -0.94 0.00 0.00 52.86 49.98 1x43 s ASN 30 Cb 0.09 0.41 -0.02 0.00 -2.00 0.00 0.00 41.25 39.73 1x43 s ASN 30 CO 0.87 -0.88 1.69 0.28 -2.94 0.00 0.00 177.10 176.12 1x43 h SER 31 N 1.87 -0.29 -1.20 3.54 0.02 -1.99 -1.08 113.55 114.43 1x43 h SER 31 Ca -0.36 0.07 0.34 0.00 -0.84 0.00 0.00 61.79 61.01 1x43 h SER 31 Cb 1.27 0.17 -0.08 0.00 0.14 0.00 0.00 62.40 63.90 1x43 h SER 31 CO 0.58 -0.12 0.82 0.71 -1.14 0.00 0.00 176.83 177.69 1x43 h THR 32 N -0.06 0.39 -3.27 -2.27 1.35 -1.97 -3.40 112.91 103.67 1x43 h THR 32 Ca 0.10 -0.05 -0.52 0.00 -0.55 0.00 0.00 66.41 65.40 1x43 h THR 32 Cb 0.22 0.22 -0.01 0.00 -1.73 0.00 0.00 68.15 66.85 1x43 h THR 32 CO -0.23 0.03 -0.11 -1.61 -0.25 0.00 0.00 175.52 173.35 1x43 s GLU 33 N -5.18 3.66 0.10 4.72 2.02 -0.41 0.56 118.70 124.17 1x43 s GLU 33 Ca -0.07 0.07 0.10 0.00 0.02 0.00 0.00 54.97 55.10 1x43 s GLU 33 Cb 0.25 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.83 1x43 s GLU 33 CO 0.81 0.19 -0.26 -0.51 0.02 0.00 0.00 175.26 175.51 1x43 s LEU 34 N -3.55 2.27 0.23 1.80 1.43 -1.13 -4.70 118.68 115.03 1x43 s LEU 34 Ca 0.45 -0.69 -0.29 0.00 -1.03 0.00 0.00 54.13 52.57 1x43 s LEU 34 Cb -0.11 -1.18 -0.09 0.00 0.03 0.00 0.00 46.19 44.84 1x43 s LEU 34 CO 0.30 0.18 0.91 -0.94 0.23 0.00 0.00 176.35 177.03 1x43 s SER 35 N -1.78 7.59 0.08 2.29 1.04 -1.26 -3.86 113.70 117.79 1x43 s SER 35 Ca 0.12 1.89 0.08 0.00 0.48 0.00 0.00 55.95 58.52 1x43 s SER 35 Cb -0.10 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.40 1x43 s SER 35 CO 0.05 0.15 -0.20 -0.76 0.98 0.00 0.00 173.24 173.46 1x43 s LEU 36 N -1.24 2.25 0.36 2.42 1.43 0.27 -4.93 118.68 119.24 1x43 s LEU 36 Ca 0.41 -0.61 0.07 0.00 -1.03 0.00 0.00 54.13 52.97 1x43 s LEU 36 Cb -0.25 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 1x43 s LEU 36 CO 0.31 0.09 0.40 -0.76 0.23 0.00 0.00 176.35 176.61 1x43 s LEU 37 N -1.61 3.68 -0.03 1.79 1.43 -1.26 0.17 118.68 122.85 1x43 s LEU 37 Ca 0.06 -0.44 -0.21 0.00 -1.03 0.00 0.00 54.13 52.51 1x43 s LEU 37 Cb -0.09 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 1x43 s LEU 37 CO 0.03 -0.48 0.63 0.00 0.23 0.00 0.00 176.35 176.76 1x43 s ALA 38 N -2.30 3.43 -0.71 4.21 0.00 -1.26 -3.90 121.76 121.23 1x43 s ALA 38 Ca 0.45 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.46 1x43 s ALA 38 Cb -0.07 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1x43 s ALA 38 CO 0.29 0.06 0.16 -0.25 0.00 0.00 0.00 175.76 176.02 1x43 n ASP 39 N 3.16 -3.36 -4.78 0.00 8.00 -1.02 -4.93 116.55 113.62 1x43 n ASP 39 Ca -0.05 -0.08 -0.32 0.00 0.71 0.00 0.00 54.79 55.06 1x43 n ASP 39 Cb 0.51 -2.41 -0.06 0.00 -0.02 0.00 0.00 41.12 39.14 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 -4.81 2.20 -0.10 -1.24 -1.05 -1.25 -4.91 118.70 107.54 1x43 s GLU 40 Ca 0.08 -2.32 -0.05 0.00 -0.15 0.00 0.00 54.97 52.53 1x43 s GLU 40 Cb -0.04 -1.64 0.05 0.00 -0.44 0.00 0.00 34.13 32.06 1x43 s GLU 40 CO 0.10 -0.40 0.23 0.08 0.95 0.00 0.00 175.26 176.22 1x43 s VAL 41 N -2.85 -0.11 0.35 1.83 1.01 -1.26 0.18 120.40 119.54 1x43 s VAL 41 Ca 0.12 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.32 1x43 s VAL 41 Cb 0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1x43 s VAL 41 CO 0.07 0.08 0.13 0.27 0.00 0.00 0.00 175.10 175.65 1x43 s ILE 42 N 1.49 0.55 -0.16 2.22 -4.36 -1.13 -4.99 121.20 114.83 1x43 s ILE 42 Ca -0.07 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.09 1x43 s ILE 42 Cb -0.11 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 41.08 1x43 s ILE 42 CO -0.08 0.00 0.72 -0.89 0.24 0.00 0.00 174.94 174.93 1x43 s THR 43 N -3.41 4.97 0.01 8.37 2.01 -1.25 -3.23 115.64 123.10 1x43 s THR 43 Ca 0.32 1.42 0.06 0.00 0.31 0.00 0.00 61.69 63.79 1x43 s THR 43 Cb 0.05 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.50 1x43 s THR 43 CO 0.16 0.11 -0.19 0.68 -0.69 0.00 0.00 174.62 174.69 1x43 s VAL 44 N 1.76 1.51 -0.11 3.82 -7.23 -0.32 -1.59 120.40 118.23 1x43 s VAL 44 Ca 0.34 -0.93 -0.18 0.00 -1.81 0.00 0.00 61.98 59.40 1x43 s VAL 44 Cb -0.16 -1.28 0.04 0.00 0.56 0.00 0.00 36.38 35.54 1x43 s VAL 44 CO 0.13 0.32 0.45 0.72 -0.31 0.00 0.00 175.10 176.41 1x43 s PHE 45 N -0.58 -0.43 0.52 2.82 -0.71 -0.57 -1.92 117.98 117.11 1x43 s PHE 45 Ca 0.07 0.93 -0.17 0.00 -1.04 0.00 0.00 56.93 56.73 1x43 s PHE 45 Cb -0.08 0.18 -0.08 0.00 -1.21 0.00 0.00 43.02 41.84 1x43 s PHE 45 CO 0.00 -0.34 0.99 -1.12 -1.34 0.00 0.00 175.22 173.41 1x43 s SER 46 N -0.43 6.57 -0.02 1.98 0.01 -1.26 0.49 113.70 121.04 1x43 s SER 46 Ca -0.06 1.59 -0.02 0.00 1.31 0.00 0.00 55.95 58.78 1x43 s SER 46 Cb -0.03 -2.51 0.01 0.00 0.21 0.00 0.00 66.02 63.69 1x43 s SER 46 CO 0.03 -0.63 0.06 -0.69 0.41 0.00 0.00 173.24 172.43 1x43 s VAL 47 N -2.59 0.00 0.10 3.43 1.01 -1.26 -4.90 120.40 116.18 1x43 s VAL 47 Ca 0.59 -0.00 -0.36 0.00 0.00 0.00 0.00 61.98 62.21 1x43 s VAL 47 Cb -0.10 -0.10 -0.17 0.00 0.00 0.00 0.00 36.38 36.01 1x43 s VAL 47 CO 0.31 -0.00 1.23 0.52 0.00 0.00 0.00 175.10 177.16 1x43 n VAL 48 N 3.04 0.29 -0.95 2.92 0.31 -1.26 -0.03 118.33 122.64 1x43 n VAL 48 Ca -0.12 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1x43 n VAL 48 Cb 0.60 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 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 2.22 0.64 3.85 2.92 0.00 -1.26 -5.03 105.19 108.53 1x43 n GLY 49 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.05 3.90 0.41 1.61 0.00 0.95 -5.06 119.30 121.06 1x43 s MET 50 Ca 0.00 0.37 -0.24 0.00 0.00 0.00 0.00 55.69 55.82 1x43 s MET 50 Cb 0.00 -3.10 -0.08 0.00 0.00 0.00 0.00 34.83 31.65 1x43 s MET 50 CO 0.00 0.61 1.12 -0.51 0.00 0.00 0.00 175.02 176.24 1x43 s ASP 51 N -1.41 6.52 0.24 1.11 1.11 -1.26 -4.89 116.67 118.09 1x43 s ASP 51 Ca 0.29 2.22 0.20 0.00 0.18 0.00 0.00 52.55 55.45 1x43 s ASP 51 Cb -0.16 -2.60 0.95 0.00 1.07 0.00 0.00 42.92 42.18 1x43 s ASP 51 CO 0.16 -0.67 1.61 -0.24 1.18 0.00 0.00 175.17 177.21 1x43 n SER 52 N -0.12 0.52 -1.63 0.27 2.88 -1.26 -1.11 113.62 113.17 1x43 n SER 52 Ca 0.05 0.68 0.09 0.00 -1.33 0.00 0.00 58.87 58.37 1x43 n SER 52 Cb 0.48 -0.77 0.37 0.00 -0.75 0.00 0.00 64.21 63.54 1x43 n SER 52 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1x43 n ASP 53 N -2.13 4.89 -3.67 -3.46 8.00 -1.26 -4.83 116.55 114.08 1x43 n ASP 53 Ca 0.01 -2.49 -0.09 0.00 0.71 0.00 0.00 54.79 52.93 1x43 n ASP 53 Cb 0.13 -0.59 -0.10 0.00 -0.02 0.00 0.00 41.12 40.54 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 -1.93 -0.76 0.39 1.24 0.52 -0.27 -2.97 118.94 115.17 1x43 s TRP 54 Ca 0.52 1.48 0.08 0.00 0.02 0.00 0.00 56.10 58.20 1x43 s TRP 54 Cb 0.34 0.31 -0.04 0.00 -1.15 0.00 0.00 33.47 32.93 1x43 s TRP 54 CO 0.24 -0.45 0.26 -0.51 0.02 0.00 0.00 176.95 176.51 1x43 s LEU 55 N 2.24 3.28 -0.65 2.99 1.43 0.80 -4.22 118.68 124.55 1x43 s LEU 55 Ca -0.04 -0.85 -0.23 0.00 -1.03 0.00 0.00 54.13 51.97 1x43 s LEU 55 Cb -0.11 -1.78 0.06 0.00 0.03 0.00 0.00 46.19 44.39 1x43 s LEU 55 CO -0.13 -0.53 0.97 -0.32 0.23 0.00 0.00 176.35 176.58 1x43 s MET 56 N -3.99 3.15 0.16 1.70 1.75 0.18 0.08 119.30 122.33 1x43 s MET 56 Ca 0.43 -0.71 -0.12 0.00 -1.25 0.00 0.00 55.69 54.03 1x43 s MET 56 Cb -0.01 -4.20 -0.07 0.00 2.84 0.00 0.00 34.83 33.40 1x43 s MET 56 CO 0.25 -1.78 0.52 0.20 -0.65 0.00 0.00 175.02 173.56 1x43 s GLY 57 N 3.55 2.39 -0.19 2.11 0.00 0.80 -1.52 107.32 114.46 1x43 s GLY 57 Ca 0.24 -0.22 -0.04 0.00 0.00 0.00 0.00 44.72 44.71 1x43 s GLY 57 CO 0.12 0.01 0.06 1.85 0.00 0.00 0.00 173.10 175.14 1x43 s GLU 58 N -2.19 0.45 -0.22 2.90 2.12 -0.62 -1.48 118.70 119.66 1x43 s GLU 58 Ca 0.40 -0.33 -0.02 0.00 0.36 0.00 0.00 54.97 55.38 1x43 s GLU 58 Cb -0.14 -2.00 0.01 0.00 0.26 0.00 0.00 34.13 32.26 1x43 s GLU 58 CO 0.20 -0.67 -0.09 0.50 -0.54 0.00 0.00 175.26 174.66 1x43 s ARG 59 N 1.95 3.07 5.73 4.30 3.52 -1.05 -3.95 118.95 132.52 1x43 s ARG 59 Ca 0.00 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.79 1x43 s ARG 59 Cb -0.17 -2.90 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 1x43 s ARG 59 CO -0.09 -0.28 0.00 0.41 -0.81 0.00 0.00 175.30 174.53 1x43 n GLY 60 N 4.70 1.26 2.16 8.12 0.00 -1.26 -1.68 105.19 118.50 1x43 n GLY 60 Ca -0.18 0.43 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 11.57 5.26 -4.09 1.61 4.13 -1.26 -5.02 115.26 127.46 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 -0.45 -0.09 0.00 -1.54 0.00 0.00 39.78 37.70 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 1.09 -0.02 3.52 -0.21 -0.67 -5.18 119.66 114.56 1x43 s GLN 62 Ca 0.52 -1.38 -0.13 0.00 0.02 0.00 0.00 55.36 54.39 1x43 s GLN 62 Cb 0.42 0.31 0.02 0.00 1.00 0.00 0.00 33.01 34.75 1x43 s GLN 62 CO -0.02 -0.36 0.28 0.15 -2.12 0.00 0.00 175.29 173.22 1x43 s LYS 63 N -4.04 0.62 -0.03 2.91 1.02 -1.26 -2.52 119.74 116.44 1x43 s LYS 63 Ca 0.25 -0.18 -0.23 0.00 0.02 0.00 0.00 55.97 55.83 1x43 s LYS 63 Cb 0.06 0.27 0.07 0.00 -0.52 0.00 0.00 37.83 37.71 1x43 s LYS 63 CO 0.04 -0.16 1.02 0.41 -0.92 0.00 0.00 175.35 175.73 1x43 n GLY 64 N 1.41 0.28 3.78 -3.33 0.00 -0.55 -4.80 105.19 101.99 1x43 n GLY 64 Ca -0.21 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 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 4.45 -0.06 1.61 1.02 0.19 -0.14 119.74 124.80 1x43 s LYS 65 Ca 0.24 1.02 0.03 0.00 0.02 0.00 0.00 55.97 57.28 1x43 s LYS 65 Cb -0.01 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.04 1x43 s LYS 65 CO -0.01 0.54 -0.16 0.14 -0.92 0.00 0.00 175.35 174.95 1x43 s VAL 66 N -0.95 1.38 -0.15 3.17 -7.23 0.11 -2.85 120.40 113.88 1x43 s VAL 66 Ca 0.34 -0.65 -0.29 0.00 -1.81 0.00 0.00 61.98 59.56 1x43 s VAL 66 Cb -0.22 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 1x43 s VAL 66 CO 0.24 0.41 1.56 -2.16 -0.31 0.00 0.00 175.10 174.83 1x43 s PRO 67 N 0.34 4.01 0.39 4.82 0.04 -1.26 -0.14 135.00 143.20 1x43 s PRO 67 Ca -0.10 1.84 0.06 0.00 0.04 0.00 0.00 61.00 62.84 1x43 s PRO 67 Cb -0.14 -3.97 0.81 0.00 0.04 0.00 0.00 34.50 31.24 1x43 s PRO 67 CO 0.04 -1.03 2.03 0.82 0.04 0.00 0.00 177.00 178.89 1x43 h ILE 68 N 5.82 1.09 -0.04 0.56 5.03 -1.86 -0.78 117.51 127.33 1x43 h ILE 68 Ca -0.34 -0.22 0.01 0.00 -0.12 0.00 0.00 64.86 64.19 1x43 h ILE 68 Cb 1.15 0.39 -0.00 0.00 -3.03 0.00 0.00 36.82 35.33 1x43 h ILE 68 CO 0.98 0.12 0.18 0.71 -0.68 0.00 0.00 178.15 179.46 1x43 h THR 69 N 0.64 0.10 0.00 -0.27 1.35 -1.90 0.28 112.91 113.11 1x43 h THR 69 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.07 1x43 h THR 69 Cb 0.04 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 1x43 h THR 69 CO -0.05 0.00 -1.30 -1.22 -0.25 0.00 0.00 175.52 172.69 1x43 n TYR 70 N -3.16 0.02 -4.21 4.73 4.02 -0.32 -4.92 117.16 113.32 1x43 n TYR 70 Ca -0.02 0.01 -0.33 0.00 -0.01 0.00 0.00 57.90 57.55 1x43 n TYR 70 Cb 0.25 -0.19 -0.08 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 -3.54 3.70 -0.59 7.72 1.43 0.99 0.31 118.68 128.70 1x43 s LEU 71 Ca 0.03 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 1x43 s LEU 71 Cb 0.15 -2.09 0.15 0.00 0.03 0.00 0.00 46.19 44.43 1x43 s LEU 71 CO 0.88 0.29 0.37 -0.70 0.23 0.00 0.00 176.35 177.42 1x43 s GLU 72 N -1.52 2.05 -0.41 1.70 2.12 0.10 -4.85 118.70 117.89 1x43 s GLU 72 Ca 0.20 -2.85 -0.39 0.00 0.36 0.00 0.00 54.97 52.28 1x43 s GLU 72 Cb -0.12 -3.13 -0.15 0.00 0.26 0.00 0.00 34.13 31.00 1x43 s GLU 72 CO 0.10 -1.21 2.14 1.28 -0.54 0.00 0.00 175.26 177.03 1x43 n LEU 73 N 2.62 1.54 -4.61 2.70 4.77 -1.26 -3.09 117.00 119.67 1x43 n LEU 73 Ca 0.14 0.57 -0.43 0.00 -0.03 0.00 0.00 56.01 56.26 1x43 n LEU 73 Cb 0.35 -1.09 -0.02 0.00 -2.33 0.00 0.00 43.42 40.32 1x43 n LEU 73 CO 0.28 -0.73 1.12 -0.76 -1.33 0.00 0.00 177.39 175.97 1x43 s LEU 74 N 6.49 3.70 -0.45 2.23 1.43 -1.23 -4.98 118.68 125.87 1x43 s LEU 74 Ca 1.13 0.82 -0.13 0.00 -1.03 0.00 0.00 54.13 54.93 1x43 s LEU 74 Cb -1.15 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 41.60 1x43 s LEU 74 CO 0.58 -1.25 0.34 0.21 0.23 0.00 0.00 176.35 176.46 1x43 s ASN 75 N 3.00 5.95 0.34 2.29 2.47 -1.26 -4.97 114.94 122.77 1x43 s ASN 75 Ca 0.55 -1.40 -0.25 0.00 0.42 0.00 0.00 52.86 52.17 1x43 s ASN 75 Cb -0.12 -2.11 -0.10 0.00 -1.45 0.00 0.00 41.25 37.47 1x43 s ASN 75 CO 0.29 -0.61 0.97 -0.94 -3.72 0.00 0.00 177.10 173.09 1x43 s SER 76 N 2.43 7.19 0.00 -4.21 1.04 -1.26 -4.93 113.70 113.95 1x43 s SER 76 Ca 0.04 1.89 0.00 0.00 0.48 0.00 0.00 55.95 58.36 1x43 s SER 76 Cb -0.24 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.30 1x43 s SER 76 CO 0.05 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1x43 n GLY 77 N 0.47 3.25 0.00 7.32 0.00 -1.26 -4.85 105.19 110.13 1x43 n GLY 77 Ca 0.03 -1.79 0.06 0.00 0.00 0.00 0.00 46.02 44.32 1x43 n GLY 77 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x43 n PRO 78 N -1.77 0.49 -2.19 1.61 -0.04 -1.26 -4.67 135.00 127.17 1x43 n PRO 78 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1x43 n PRO 78 Cb 0.00 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.02 1x43 n PRO 78 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x43 s SER 79 N -1.91 5.55 -0.10 3.54 0.15 -1.26 -4.92 113.70 114.75 1x43 s SER 79 Ca 0.19 0.16 -0.26 0.00 0.70 0.00 0.00 55.95 56.74 1x43 s SER 79 Cb 0.09 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.92 1x43 s SER 79 CO 0.15 -2.19 0.62 -0.44 1.20 0.00 0.00 173.24 172.58 1x43 s SER 80 N 6.77 -0.61 0.00 5.45 0.01 -1.26 -5.04 113.70 119.02 1x43 s SER 80 Ca 0.59 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.66 1x43 s SER 80 Cb -0.12 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.86 1x43 s SER 80 CO 0.20 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.98