#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 6.86 0.04 1.61 0.15 -1.26 -4.99 113.70 116.11 1x43 s SER 2 Ca 0.00 1.85 -0.28 0.00 0.70 0.00 0.00 55.95 58.22 1x43 s SER 2 Cb 0.00 -2.56 -0.17 0.00 -1.71 0.00 0.00 66.02 61.57 1x43 s SER 2 CO 0.00 -0.41 1.41 -1.28 1.20 0.00 0.00 173.24 174.16 1x43 h SER 3 N 2.25 -0.57 -6.77 5.45 0.87 -2.07 -3.46 113.55 109.26 1x43 h SER 3 Ca -0.48 -0.05 -0.55 0.00 -1.23 0.00 0.00 61.79 59.47 1x43 h SER 3 Cb 1.20 0.15 -0.12 0.00 -0.44 0.00 0.00 62.40 63.18 1x43 h SER 3 CO 0.62 -0.28 -0.93 0.61 -0.53 0.00 0.00 176.83 176.32 1x43 n GLY 4 N -0.89 -0.19 3.22 5.77 0.00 -1.26 -4.95 105.19 106.89 1x43 n GLY 4 Ca -0.11 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1x43 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x43 s SER 5 N -4.36 0.77 -0.12 1.61 1.04 -1.26 -5.08 113.70 106.31 1x43 s SER 5 Ca 0.01 -1.26 -0.28 0.00 0.48 0.00 0.00 55.95 54.90 1x43 s SER 5 Cb -0.01 0.22 -0.25 0.00 0.10 0.00 0.00 66.02 66.09 1x43 s SER 5 CO 0.94 -0.70 0.87 0.28 0.98 0.00 0.00 173.24 175.61 1x43 h SER 6 N 2.66 0.01 0.00 7.02 0.02 -2.06 -3.50 113.55 117.71 1x43 h SER 6 Ca -0.36 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 59.68 1x43 h SER 6 Cb 1.22 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1x43 h SER 6 CO 0.60 0.91 0.00 0.61 -1.14 0.00 0.00 176.83 177.81 1x43 n GLY 7 N 1.35 2.47 3.15 -3.77 0.00 -1.26 -5.18 105.19 101.95 1x43 n GLY 7 Ca -0.10 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 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 2.16 -1.04 0.99 1.43 -1.26 -5.07 118.68 115.88 1x43 s LEU 8 Ca 0.00 -0.44 -0.23 0.00 -1.03 0.00 0.00 54.13 52.43 1x43 s LEU 8 Cb 0.00 -0.64 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 1x43 s LEU 8 CO 0.00 0.05 1.80 0.20 0.23 0.00 0.00 176.35 178.63 1x43 s ASN 9 N -1.05 5.66 -0.30 2.29 -0.87 -1.26 -4.80 114.94 114.61 1x43 s ASN 9 Ca 0.02 -1.31 -0.15 0.00 -1.57 0.00 0.00 52.86 49.85 1x43 s ASN 9 Cb -0.08 -2.57 0.18 0.00 -0.02 0.00 0.00 41.25 38.76 1x43 s ASN 9 CO 0.01 -2.32 1.08 1.51 -2.57 0.00 0.00 177.10 174.81 1x43 s ASP 10 N 6.47 -0.43 0.32 -1.22 -4.77 -1.26 -5.16 116.67 110.62 1x43 s ASP 10 Ca 0.62 0.48 -0.23 0.00 -3.30 0.00 0.00 52.55 50.12 1x43 s ASP 10 Cb -0.02 1.44 -0.10 0.00 -1.09 0.00 0.00 42.92 43.15 1x43 s ASP 10 CO 0.01 -0.08 0.88 -0.76 0.70 0.00 0.00 175.17 175.92 1x43 s LEU 11 N 2.50 4.26 0.00 2.11 1.43 -1.26 -4.98 118.68 122.74 1x43 s LEU 11 Ca -0.01 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 1x43 s LEU 11 Cb -0.06 -4.00 0.00 0.00 0.03 0.00 0.00 46.19 42.16 1x43 s LEU 11 CO -0.15 -0.10 0.00 2.29 0.23 0.00 0.00 176.35 178.62 1x43 n LYS 12 N 0.35 0.00 -2.15 1.70 2.85 -1.26 -5.05 118.16 114.60 1x43 n LYS 12 Ca 0.02 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.91 1x43 n LYS 12 Cb 0.51 -0.61 0.01 0.00 -0.65 0.00 0.00 35.03 34.28 1x43 n LYS 12 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1x43 s GLU 13 N -1.99 3.51 -0.27 -1.58 2.02 -1.26 -4.91 118.70 114.22 1x43 s GLU 13 Ca 0.00 1.83 -0.03 0.00 0.02 0.00 0.00 54.97 56.79 1x43 s GLU 13 Cb 0.00 -2.27 0.02 0.00 0.10 0.00 0.00 34.13 31.98 1x43 s GLU 13 CO 0.00 -0.78 2.68 -1.13 0.02 0.00 0.00 175.26 176.06 1x43 n SER 14 N -0.82 6.07 -4.09 -0.19 3.41 -1.26 -4.83 113.62 111.90 1x43 n SER 14 Ca 0.09 -2.92 -0.32 0.00 -0.26 0.00 0.00 58.87 55.46 1x43 n SER 14 Cb 0.48 -1.22 -0.16 0.00 -0.26 0.00 0.00 64.21 63.05 1x43 n SER 14 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x43 s SER 15 N 0.86 3.00 -0.01 4.04 0.01 -1.26 -5.12 113.70 115.22 1x43 s SER 15 Ca 0.47 -0.60 -0.14 0.00 1.31 0.00 0.00 55.95 56.98 1x43 s SER 15 Cb 0.29 -1.39 -0.06 0.00 0.21 0.00 0.00 66.02 65.07 1x43 s SER 15 CO -0.09 -0.02 0.40 0.21 0.41 0.00 0.00 173.24 174.15 1x43 s ASN 16 N 1.35 6.80 0.25 2.44 2.47 -1.26 -5.08 114.94 121.90 1x43 s ASN 16 Ca 0.05 0.95 -0.07 0.00 0.42 0.00 0.00 52.86 54.20 1x43 s ASN 16 Cb -0.13 -2.25 -0.01 0.00 -1.45 0.00 0.00 41.25 37.41 1x43 s ASN 16 CO -0.12 0.32 0.37 0.20 -3.72 0.00 0.00 177.10 174.15 1x43 s ASN 17 N -1.05 0.16 0.48 -4.21 -0.87 -1.26 -5.05 114.94 103.13 1x43 s ASN 17 Ca 0.23 -1.17 0.01 0.00 -1.57 0.00 0.00 52.86 50.37 1x43 s ASN 17 Cb -0.17 0.54 0.01 0.00 -0.02 0.00 0.00 41.25 41.61 1x43 s ASN 17 CO 0.13 -1.07 0.70 -0.13 -2.57 0.00 0.00 177.10 174.15 1x43 s ARG 18 N -3.90 2.90 -0.01 -0.60 1.81 0.34 -4.92 118.95 114.56 1x43 s ARG 18 Ca 0.29 -0.61 0.01 0.00 -1.72 0.00 0.00 55.73 53.70 1x43 s ARG 18 Cb 0.02 -2.55 0.00 0.00 -0.45 0.00 0.00 34.95 31.97 1x43 s ARG 18 CO 0.12 -0.40 -0.04 0.15 -0.68 0.00 0.00 175.30 174.45 1x43 s LYS 19 N -4.60 0.46 0.09 3.54 -0.14 -1.26 0.20 119.74 118.02 1x43 s LYS 19 Ca 0.51 -0.13 -0.18 0.00 -1.36 0.00 0.00 55.97 54.81 1x43 s LYS 19 Cb -0.10 -0.48 0.04 0.00 -1.68 0.00 0.00 37.83 35.61 1x43 s LYS 19 CO 0.38 0.05 0.42 0.00 -0.76 0.00 0.00 175.35 175.44 1x43 s ALA 20 N 0.19 -1.01 0.04 5.17 0.00 -1.17 -3.22 121.76 121.76 1x43 s ALA 20 Ca -0.02 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1x43 s ALA 20 Cb -0.06 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 1x43 s ALA 20 CO -0.00 -0.57 0.06 0.50 0.00 0.00 0.00 175.76 175.74 1x43 s ARG 21 N -3.23 2.89 0.22 0.00 3.52 -1.23 -2.31 118.95 118.82 1x43 s ARG 21 Ca -0.01 -0.63 -0.24 0.00 -0.13 0.00 0.00 55.73 54.73 1x43 s ARG 21 Cb 0.01 -2.74 -0.09 0.00 -1.56 0.00 0.00 34.95 30.57 1x43 s ARG 21 CO -0.08 0.60 0.80 0.08 -0.81 0.00 0.00 175.30 175.89 1x43 s VAL 22 N -1.27 4.39 -0.13 7.11 1.01 0.11 -0.13 120.40 131.49 1x43 s VAL 22 Ca 0.25 1.60 0.17 0.00 0.00 0.00 0.00 61.98 64.00 1x43 s VAL 22 Cb -0.12 -4.03 -0.24 0.00 0.00 0.00 0.00 36.38 31.99 1x43 s VAL 22 CO 0.17 0.34 0.17 0.18 0.00 0.00 0.00 175.10 175.96 1x43 n LEU 23 N 1.08 0.00 -3.81 3.92 4.77 0.11 -2.22 117.00 120.85 1x43 n LEU 23 Ca -0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 1x43 n LEU 23 Cb 0.50 0.31 -0.12 0.00 -2.33 0.00 0.00 43.42 41.78 1x43 n LEU 23 CO 0.45 0.31 -0.15 -0.31 -1.33 0.00 0.00 177.39 176.36 1x43 s TYR 24 N -2.70 -0.19 0.55 -1.77 1.51 -1.26 -4.72 117.35 108.77 1x43 s TYR 24 Ca -0.08 0.46 -0.22 0.00 -1.01 0.00 0.00 57.07 56.22 1x43 s TYR 24 Cb 0.07 0.06 -0.05 0.00 -0.11 0.00 0.00 41.96 41.94 1x43 s TYR 24 CO 0.75 -0.13 1.36 0.34 -1.11 0.00 0.00 175.55 176.77 1x43 s ASP 25 N -0.07 5.21 0.05 2.29 -1.08 -1.26 -4.60 116.67 117.20 1x43 s ASP 25 Ca -0.02 2.78 0.02 0.00 -0.52 0.00 0.00 52.55 54.82 1x43 s ASP 25 Cb -0.02 -2.64 -0.03 0.00 -1.46 0.00 0.00 42.92 38.78 1x43 s ASP 25 CO 0.00 -1.61 -0.08 -0.47 0.52 0.00 0.00 175.17 173.53 1x43 s TYR 26 N -1.30 0.74 -0.24 -5.34 5.04 -0.95 -4.96 117.35 110.34 1x43 s TYR 26 Ca 0.72 -0.51 0.02 0.00 -2.44 0.00 0.00 57.07 54.86 1x43 s TYR 26 Cb -0.41 -0.44 0.05 0.00 0.35 0.00 0.00 41.96 41.52 1x43 s TYR 26 CO 0.48 -0.07 -0.11 -0.51 -1.34 0.00 0.00 175.55 173.99 1x43 s ASP 27 N -1.67 4.16 0.20 4.32 1.11 -1.26 -1.98 116.67 121.55 1x43 s ASP 27 Ca -0.08 -1.25 -0.32 0.00 0.18 0.00 0.00 52.55 51.07 1x43 s ASP 27 Cb -0.09 -1.48 -0.14 0.00 1.07 0.00 0.00 42.92 42.27 1x43 s ASP 27 CO 0.00 -0.17 1.38 0.00 1.18 0.00 0.00 175.17 177.57 1x43 n ALA 28 N 4.49 0.61 0.02 5.23 0.00 -1.26 -4.90 120.51 124.70 1x43 n ALA 28 Ca -0.15 0.44 -0.14 0.00 0.00 0.00 0.00 53.44 53.59 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 4.35 0.49 -2.54 0.00 0.00 -1.93 -3.49 119.26 116.14 1x43 h ALA 29 Ca -0.45 -1.28 -0.35 0.00 0.00 0.00 0.00 54.91 52.83 1x43 h ALA 29 Cb 1.29 0.42 -0.14 0.00 0.00 0.00 0.00 17.79 19.35 1x43 h ALA 29 CO 0.77 1.34 -0.58 0.54 0.00 0.00 0.00 179.25 181.32 1x43 s ASN 30 N -6.67 0.97 0.29 0.00 6.03 -1.26 -5.01 114.94 109.29 1x43 s ASN 30 Ca -0.10 -1.50 0.20 0.00 -1.03 0.00 0.00 52.86 50.43 1x43 s ASN 30 Cb 0.07 0.38 1.07 0.00 -3.03 0.00 0.00 41.25 39.75 1x43 s ASN 30 CO 0.82 -0.88 1.62 -1.54 -2.03 0.00 0.00 177.10 175.10 1x43 n SER 31 N -0.72 0.53 0.19 3.54 3.41 -1.26 -0.76 113.62 118.55 1x43 n SER 31 Ca 0.02 0.73 0.09 0.00 -0.26 0.00 0.00 58.87 59.46 1x43 n SER 31 Cb 0.65 -0.81 0.11 0.00 -0.26 0.00 0.00 64.21 63.91 1x43 n SER 31 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1x43 h THR 32 N 0.00 0.23 -2.52 6.66 1.35 -1.95 -3.46 112.91 113.23 1x43 h THR 32 Ca 0.00 -1.34 -0.54 0.00 -0.55 0.00 0.00 66.41 63.98 1x43 h THR 32 Cb 0.05 2.07 -0.05 0.00 -1.73 0.00 0.00 68.15 68.49 1x43 h THR 32 CO 0.00 0.13 -0.53 -1.61 -0.25 0.00 0.00 175.52 173.26 1x43 s GLU 33 N -3.15 3.03 0.10 4.72 2.02 0.06 0.26 118.70 125.73 1x43 s GLU 33 Ca 0.05 -0.87 0.10 0.00 0.02 0.00 0.00 54.97 54.28 1x43 s GLU 33 Cb 0.06 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 1x43 s GLU 33 CO 0.70 0.46 -0.26 -0.51 0.02 0.00 0.00 175.26 175.68 1x43 s LEU 34 N -3.37 2.32 0.38 1.80 1.43 -1.12 -4.69 118.68 115.42 1x43 s LEU 34 Ca 0.32 -0.69 -0.24 0.00 -1.03 0.00 0.00 54.13 52.49 1x43 s LEU 34 Cb -0.10 -1.27 -0.09 0.00 0.03 0.00 0.00 46.19 44.76 1x43 s LEU 34 CO 0.25 0.20 1.01 -0.44 0.23 0.00 0.00 176.35 177.60 1x43 s SER 35 N -1.84 6.96 0.21 2.29 0.01 -1.26 -4.22 113.70 115.85 1x43 s SER 35 Ca 0.14 1.94 0.10 0.00 1.31 0.00 0.00 55.95 59.43 1x43 s SER 35 Cb -0.10 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 1x43 s SER 35 CO 0.05 -0.34 -0.18 -0.76 0.41 0.00 0.00 173.24 172.42 1x43 s LEU 36 N -2.51 2.52 0.02 2.44 1.43 -0.84 -4.96 118.68 116.78 1x43 s LEU 36 Ca 0.56 -0.96 0.07 0.00 -1.03 0.00 0.00 54.13 52.77 1x43 s LEU 36 Cb -0.19 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 1x43 s LEU 36 CO 0.25 -0.04 -0.20 -0.76 0.23 0.00 0.00 176.35 175.83 1x43 s LEU 37 N -3.10 2.12 0.08 1.79 1.43 -1.26 -2.24 118.68 117.50 1x43 s LEU 37 Ca 0.22 -0.46 -0.31 0.00 -1.03 0.00 0.00 54.13 52.56 1x43 s LEU 37 Cb -0.04 -0.96 -0.08 0.00 0.03 0.00 0.00 46.19 45.14 1x43 s LEU 37 CO 0.09 0.18 1.63 0.00 0.23 0.00 0.00 176.35 178.48 1x43 s ALA 38 N -0.69 3.69 -0.33 4.21 0.00 -1.26 -2.68 121.76 124.70 1x43 s ALA 38 Ca 0.07 1.21 -0.02 0.00 0.00 0.00 0.00 51.96 53.23 1x43 s ALA 38 Cb -0.08 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1x43 s ALA 38 CO 0.01 -1.05 0.28 -0.25 0.00 0.00 0.00 175.76 174.75 1x43 n ASP 39 N 5.37 -2.79 -4.01 0.00 8.00 -0.94 -4.99 116.55 117.19 1x43 n ASP 39 Ca 0.15 -0.14 -0.23 0.00 0.71 0.00 0.00 54.79 55.29 1x43 n ASP 39 Cb 0.40 -1.64 -0.16 0.00 -0.02 0.00 0.00 41.12 39.70 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 1.34 -0.25 -1.24 -1.05 -1.09 -4.92 118.70 106.45 1x43 s GLU 40 Ca 0.11 -0.36 -0.06 0.00 -0.15 0.00 0.00 54.97 54.51 1x43 s GLU 40 Cb -0.05 -1.18 -0.01 0.00 -0.44 0.00 0.00 34.13 32.46 1x43 s GLU 40 CO 0.18 0.07 0.03 0.54 0.95 0.00 0.00 175.26 177.03 1x43 s VAL 41 N 0.44 3.81 0.47 1.83 0.11 -1.26 0.05 120.40 125.85 1x43 s VAL 41 Ca -0.09 -0.46 0.03 0.00 -2.93 0.00 0.00 61.98 58.53 1x43 s VAL 41 Cb -0.13 -2.82 -0.03 0.00 -1.53 0.00 0.00 36.38 31.88 1x43 s VAL 41 CO 0.02 0.30 0.03 0.27 -3.33 0.00 0.00 175.10 172.38 1x43 s ILE 42 N 1.52 1.20 -0.21 7.04 -4.36 -0.98 -4.96 121.20 120.45 1x43 s ILE 42 Ca 0.05 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.21 1x43 s ILE 42 Cb -0.15 -2.36 -0.02 0.00 1.25 0.00 0.00 42.46 41.18 1x43 s ILE 42 CO 0.00 0.00 0.74 -0.89 0.24 0.00 0.00 174.94 175.03 1x43 s THR 43 N -2.93 4.92 0.00 8.37 2.01 -1.25 -3.05 115.64 123.72 1x43 s THR 43 Ca 0.15 1.40 0.07 0.00 0.31 0.00 0.00 61.69 63.62 1x43 s THR 43 Cb 0.03 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 1x43 s THR 43 CO 0.08 0.02 -0.19 0.68 -0.69 0.00 0.00 174.62 174.51 1x43 s VAL 44 N 2.36 2.65 -0.02 3.82 -7.23 0.13 -1.38 120.40 120.74 1x43 s VAL 44 Ca 0.32 -1.07 -0.18 0.00 -1.81 0.00 0.00 61.98 59.24 1x43 s VAL 44 Cb -0.16 -2.05 0.03 0.00 0.56 0.00 0.00 36.38 34.77 1x43 s VAL 44 CO 0.10 0.46 0.39 0.72 -0.31 0.00 0.00 175.10 176.46 1x43 s PHE 45 N -0.80 -0.28 0.04 2.82 -0.71 -0.16 0.12 117.98 119.02 1x43 s PHE 45 Ca 0.13 0.43 -0.21 0.00 -1.04 0.00 0.00 56.93 56.24 1x43 s PHE 45 Cb -0.10 0.17 -0.06 0.00 -1.21 0.00 0.00 43.02 41.82 1x43 s PHE 45 CO 0.02 -0.45 0.61 -1.54 -1.34 0.00 0.00 175.22 172.52 1x43 s SER 46 N -1.37 7.06 -0.05 1.98 1.04 -1.26 1.00 113.70 122.09 1x43 s SER 46 Ca -0.12 1.26 0.05 0.00 0.48 0.00 0.00 55.95 57.62 1x43 s SER 46 Cb -0.04 -2.38 -0.00 0.00 0.10 0.00 0.00 66.02 63.70 1x43 s SER 46 CO 0.05 0.17 -0.20 -0.69 0.98 0.00 0.00 173.24 173.55 1x43 s VAL 47 N -0.63 1.65 0.14 5.02 1.01 -1.26 -4.96 120.40 121.37 1x43 s VAL 47 Ca 0.31 -0.83 -0.33 0.00 0.00 0.00 0.00 61.98 61.13 1x43 s VAL 47 Cb -0.19 -1.42 -0.17 0.00 0.00 0.00 0.00 36.38 34.59 1x43 s VAL 47 CO 0.19 0.47 0.90 0.52 0.00 0.00 0.00 175.10 177.17 1x43 n VAL 48 N 3.17 1.08 -2.35 2.92 0.31 -1.26 -1.30 118.33 120.90 1x43 n VAL 48 Ca -0.18 -0.27 -0.09 0.00 -0.01 0.00 0.00 64.34 63.78 1x43 n VAL 48 Cb 0.53 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.17 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 1.81 0.06 3.28 2.92 0.00 -1.26 -5.02 105.19 106.98 1x43 n GLY 49 Ca 0.17 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.70 3.24 1.01 1.61 0.00 -0.42 -5.11 119.30 114.93 1x43 s MET 50 Ca 0.06 -0.75 -0.21 0.00 0.00 0.00 0.00 55.69 54.79 1x43 s MET 50 Cb -0.02 -2.60 -0.13 0.00 0.00 0.00 0.00 34.83 32.07 1x43 s MET 50 CO 0.07 0.07 -0.91 -0.25 0.00 0.00 0.00 175.02 173.99 1x43 n ASP 51 N 3.92 -4.26 0.08 1.11 8.00 -1.26 -4.88 116.55 119.25 1x43 n ASP 51 Ca -0.19 0.10 -0.01 0.00 0.71 0.00 0.00 54.79 55.40 1x43 n ASP 51 Cb 0.52 -0.72 -0.05 0.00 -0.02 0.00 0.00 41.12 40.85 1x43 n ASP 51 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1x43 h SER 52 N -1.14 0.00 -0.64 -2.24 0.02 -2.00 -3.27 113.55 104.28 1x43 h SER 52 Ca -0.43 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.29 1x43 h SER 52 Cb 1.34 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.74 1x43 h SER 52 CO 0.25 0.67 0.29 0.47 -1.14 0.00 0.00 176.83 177.37 1x43 n ASP 53 N -3.16 4.11 -3.69 3.07 8.00 -1.26 -4.84 116.55 118.79 1x43 n ASP 53 Ca -0.03 -3.04 -0.10 0.00 0.71 0.00 0.00 54.79 52.34 1x43 n ASP 53 Cb 0.83 -0.72 -0.10 0.00 -0.02 0.00 0.00 41.12 41.11 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 -2.51 -0.66 0.54 1.24 0.52 -1.23 -2.81 118.94 114.02 1x43 s TRP 54 Ca 0.44 1.37 0.03 0.00 0.02 0.00 0.00 56.10 57.97 1x43 s TRP 54 Cb 0.36 0.30 0.02 0.00 -1.15 0.00 0.00 33.47 32.99 1x43 s TRP 54 CO 0.10 -0.37 0.22 -0.51 0.02 0.00 0.00 176.95 176.41 1x43 s LEU 55 N 1.55 2.48 -0.53 2.99 1.43 0.72 -4.45 118.68 122.87 1x43 s LEU 55 Ca -0.09 -1.45 -0.16 0.00 -1.03 0.00 0.00 54.13 51.40 1x43 s LEU 55 Cb -0.09 -0.96 0.12 0.00 0.03 0.00 0.00 46.19 45.29 1x43 s LEU 55 CO -0.13 -1.02 0.50 -0.32 0.23 0.00 0.00 176.35 175.61 1x43 s MET 56 N -4.11 3.00 0.09 1.70 1.75 0.28 -0.27 119.30 121.73 1x43 s MET 56 Ca 0.20 -1.59 -0.14 0.00 -1.25 0.00 0.00 55.69 52.91 1x43 s MET 56 Cb -0.01 -4.26 -0.06 0.00 2.84 0.00 0.00 34.83 33.34 1x43 s MET 56 CO 0.12 -1.29 0.47 0.20 -0.65 0.00 0.00 175.02 173.88 1x43 s GLY 57 N 3.39 2.45 -0.22 2.11 0.00 -0.55 -0.99 107.32 113.52 1x43 s GLY 57 Ca 0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 44.72 44.55 1x43 s GLY 57 CO 0.04 0.09 -0.03 1.85 0.00 0.00 0.00 173.10 175.05 1x43 s GLU 58 N -1.66 1.39 -0.47 2.90 2.12 -0.48 -2.26 118.70 120.24 1x43 s GLU 58 Ca 0.32 -0.79 -0.04 0.00 0.36 0.00 0.00 54.97 54.82 1x43 s GLU 58 Cb -0.15 -2.40 0.12 0.00 0.26 0.00 0.00 34.13 31.96 1x43 s GLU 58 CO 0.17 -0.58 0.29 0.50 -0.54 0.00 0.00 175.26 175.10 1x43 s ARG 59 N 1.53 2.22 3.83 4.30 3.52 -1.07 -3.93 118.95 129.35 1x43 s ARG 59 Ca -0.04 -1.99 0.00 0.00 -0.13 0.00 0.00 55.73 53.58 1x43 s ARG 59 Cb -0.18 -3.68 0.00 0.00 -1.56 0.00 0.00 34.95 29.53 1x43 s ARG 59 CO -0.07 -1.12 0.00 0.41 -0.81 0.00 0.00 175.30 173.71 1x43 n GLY 60 N 4.38 1.27 1.70 8.12 0.00 -1.26 -2.61 105.19 116.79 1x43 n GLY 60 Ca -0.01 0.25 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 7.22 3.77 -4.19 1.61 3.02 -1.26 -5.04 115.26 120.39 1x43 n ASN 61 Ca 0.00 -3.62 -0.11 0.00 -0.03 0.00 0.00 54.58 50.81 1x43 n ASN 61 Cb 0.00 -0.40 -0.10 0.00 -0.61 0.00 0.00 39.78 38.67 1x43 n ASN 61 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1x43 s GLN 62 N -3.43 0.94 -0.13 3.52 -0.21 -1.07 -5.17 119.66 114.12 1x43 s GLN 62 Ca 0.46 -1.42 -0.15 0.00 0.02 0.00 0.00 55.36 54.26 1x43 s GLN 62 Cb 0.39 -0.17 0.04 0.00 1.00 0.00 0.00 33.01 34.28 1x43 s GLN 62 CO 0.00 -0.09 0.41 0.15 -2.12 0.00 0.00 175.29 173.64 1x43 s LYS 63 N -3.89 0.55 0.00 2.91 1.02 -1.26 -2.60 119.74 116.46 1x43 s LYS 63 Ca 0.18 0.44 -0.00 0.00 0.02 0.00 0.00 55.97 56.60 1x43 s LYS 63 Cb 0.06 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.63 1x43 s LYS 63 CO -0.01 -0.09 0.01 0.41 -0.92 0.00 0.00 175.35 174.75 1x43 n GLY 64 N 2.50 1.00 3.75 -3.33 0.00 -0.96 -4.85 105.19 103.30 1x43 n GLY 64 Ca -0.15 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.61 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 4.27 -0.07 1.61 1.02 0.14 -1.48 119.74 123.23 1x43 s LYS 65 Ca 0.00 0.57 0.05 0.00 0.02 0.00 0.00 55.97 56.61 1x43 s LYS 65 Cb -0.00 -3.37 -0.00 0.00 -0.52 0.00 0.00 37.83 33.94 1x43 s LYS 65 CO 0.00 0.32 -0.21 0.14 -0.92 0.00 0.00 175.35 174.68 1x43 s VAL 66 N 0.05 1.78 -0.13 3.17 -7.23 0.63 -2.80 120.40 115.87 1x43 s VAL 66 Ca 0.28 -0.89 -0.29 0.00 -1.81 0.00 0.00 61.98 59.27 1x43 s VAL 66 Cb -0.17 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.21 1x43 s VAL 66 CO 0.14 0.50 1.54 -2.16 -0.31 0.00 0.00 175.10 174.81 1x43 s PRO 67 N 0.11 4.09 0.40 4.82 0.04 -1.26 -0.20 135.00 143.00 1x43 s PRO 67 Ca -0.09 1.91 0.06 0.00 0.04 0.00 0.00 61.00 62.92 1x43 s PRO 67 Cb -0.14 -3.94 0.81 0.00 0.04 0.00 0.00 34.50 31.26 1x43 s PRO 67 CO 0.05 -0.94 2.04 0.82 0.04 0.00 0.00 177.00 179.01 1x43 h ILE 68 N 5.71 1.12 0.00 0.56 5.03 -1.86 -0.92 117.51 127.16 1x43 h ILE 68 Ca -0.34 -0.26 0.00 0.00 -0.12 0.00 0.00 64.86 64.14 1x43 h ILE 68 Cb 1.15 0.51 0.00 0.00 -3.03 0.00 0.00 36.82 35.45 1x43 h ILE 68 CO 0.97 0.12 0.07 0.71 -0.68 0.00 0.00 178.15 179.34 1x43 h THR 69 N 0.59 0.00 -0.00 -0.27 1.35 -1.91 0.26 112.91 112.93 1x43 h THR 69 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 1x43 h THR 69 Cb -0.03 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 66.97 1x43 h THR 69 CO -0.03 0.00 -0.65 -1.22 -0.25 0.00 0.00 175.52 173.37 1x43 n TYR 70 N -2.45 0.00 -4.21 4.73 4.02 -0.36 -4.94 117.16 113.95 1x43 n TYR 70 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.56 1x43 n TYR 70 Cb 0.11 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.34 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 -2.58 3.43 -0.58 7.72 1.43 0.92 0.07 118.68 129.08 1x43 s LEU 71 Ca 0.08 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 1x43 s LEU 71 Cb 0.12 -2.09 0.16 0.00 0.03 0.00 0.00 46.19 44.41 1x43 s LEU 71 CO 0.59 0.22 0.38 -0.70 0.23 0.00 0.00 176.35 177.07 1x43 s GLU 72 N -2.00 1.92 -0.74 1.70 2.12 0.81 -4.88 118.70 117.62 1x43 s GLU 72 Ca 0.23 -2.78 -0.37 0.00 0.36 0.00 0.00 54.97 52.40 1x43 s GLU 72 Cb -0.12 -2.89 -0.20 0.00 0.26 0.00 0.00 34.13 31.18 1x43 s GLU 72 CO 0.15 -1.25 2.41 1.28 -0.54 0.00 0.00 175.26 177.31 1x43 n LEU 73 N 2.59 0.56 -4.73 2.70 4.77 -1.26 -3.47 117.00 118.17 1x43 n LEU 73 Ca 0.17 0.43 -0.30 0.00 -0.03 0.00 0.00 56.01 56.27 1x43 n LEU 73 Cb 0.36 -0.92 0.12 0.00 -2.33 0.00 0.00 43.42 40.66 1x43 n LEU 73 CO 0.25 -0.75 0.68 -0.76 -1.33 0.00 0.00 177.39 175.48 1x43 s LEU 74 N 7.51 2.63 -1.39 2.23 1.43 -1.20 -3.69 118.68 126.21 1x43 s LEU 74 Ca 1.27 1.73 -0.06 0.00 -1.03 0.00 0.00 54.13 56.04 1x43 s LEU 74 Cb -1.37 -4.25 0.01 0.00 0.03 0.00 0.00 46.19 40.61 1x43 s LEU 74 CO 0.57 -2.47 0.82 -3.20 0.23 0.00 0.00 176.35 172.30 1x43 n ASN 75 N -3.80 -6.02 -4.72 2.29 5.15 -1.26 -4.96 115.26 101.95 1x43 n ASN 75 Ca 0.08 -0.38 -0.26 0.00 -0.60 0.00 0.00 54.58 53.43 1x43 n ASN 75 Cb 0.54 -4.75 -0.07 0.00 -0.53 0.00 0.00 39.78 34.97 1x43 n ASN 75 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1x43 s SER 76 N -2.99 5.04 0.56 1.20 1.04 -1.24 -5.02 113.70 112.29 1x43 s SER 76 Ca 0.41 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1x43 s SER 76 Cb -0.18 -1.16 0.00 0.00 0.10 0.00 0.00 66.02 64.78 1x43 s SER 76 CO 0.51 0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.40 1x43 n GLY 77 N -0.38 -3.60 3.64 7.32 0.00 -1.26 -4.70 105.19 106.20 1x43 n GLY 77 Ca -0.09 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 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 -5.14 3.93 0.08 1.61 0.04 -1.26 -4.85 135.00 129.42 1x43 s PRO 78 Ca 0.00 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1x43 s PRO 78 Cb 0.00 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1x43 s PRO 78 CO 0.00 -1.12 0.00 0.45 0.04 0.00 0.00 177.00 176.37 1x43 n SER 79 N 7.93 0.93 -4.61 6.66 2.88 -1.26 -5.02 113.62 121.13 1x43 n SER 79 Ca 0.18 0.12 -0.39 0.00 -1.33 0.00 0.00 58.87 57.44 1x43 n SER 79 Cb 0.45 -0.28 -0.09 0.00 -0.75 0.00 0.00 64.21 63.54 1x43 n SER 79 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x43 s SER 80 N -5.83 6.31 0.00 -3.46 0.01 -1.26 -5.27 113.70 104.19 1x43 s SER 80 Ca 0.00 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.62 1x43 s SER 80 Cb 0.00 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 64.00 1x43 s SER 80 CO 0.00 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.05