#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x43 n SER 2 N 0.00 1.23 -3.96 1.61 3.41 -1.26 -5.02 113.62 109.63 1x43 n SER 2 Ca 0.00 0.19 -0.30 0.00 -0.26 0.00 0.00 58.87 58.49 1x43 n SER 2 Cb 0.00 -0.44 0.01 0.00 -0.26 0.00 0.00 64.21 63.52 1x43 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x43 n SER 3 N -3.75 -3.84 0.00 4.04 7.64 -1.26 -4.84 113.62 111.60 1x43 n SER 3 Ca -0.10 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 58.93 1x43 n SER 3 Cb 0.34 -3.61 0.00 0.00 -1.01 0.00 0.00 64.21 59.93 1x43 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x43 n GLY 4 N -1.64 2.84 0.07 0.23 0.00 -1.26 -5.05 105.19 100.38 1x43 n GLY 4 Ca -0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1x43 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x43 h SER 5 N 0.00 -0.03 -0.89 1.61 0.87 -2.04 -3.46 113.55 109.60 1x43 h SER 5 Ca 0.00 -0.46 -0.48 0.00 -1.23 0.00 0.00 61.79 59.61 1x43 h SER 5 Cb 0.00 0.01 0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1x43 h SER 5 CO 0.00 0.46 -0.14 -0.94 -0.53 0.00 0.00 176.83 175.68 1x43 s SER 6 N -5.64 5.17 -0.06 6.23 1.04 -1.26 -4.95 113.70 114.21 1x43 s SER 6 Ca -0.16 -0.80 -0.04 0.00 0.48 0.00 0.00 55.95 55.43 1x43 s SER 6 Cb 0.02 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.30 1x43 s SER 6 CO 0.65 -1.23 0.09 0.61 0.98 0.00 0.00 173.24 174.34 1x43 n GLY 7 N -2.15 -4.09 3.55 7.32 0.00 -1.26 -4.97 105.19 103.58 1x43 n GLY 7 Ca 0.14 0.42 -0.41 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.30 4.41 0.01 0.99 2.01 -1.26 -4.97 118.68 119.56 1x43 s LEU 8 Ca -0.10 -0.15 -0.25 0.00 0.01 0.00 0.00 54.13 53.63 1x43 s LEU 8 Cb 0.01 -2.44 -0.15 0.00 0.01 0.00 0.00 46.19 43.62 1x43 s LEU 8 CO 0.28 -0.40 1.10 -1.13 1.01 0.00 0.00 176.35 177.21 1x43 h ASN 9 N 8.46 -0.63 -4.76 2.29 -1.24 -2.00 -3.46 115.58 114.24 1x43 h ASN 9 Ca -0.29 -0.04 -0.22 0.00 0.71 0.00 0.00 56.30 56.46 1x43 h ASN 9 Cb 1.14 0.16 -0.17 0.00 0.73 0.00 0.00 38.32 40.18 1x43 h ASN 9 CO 0.73 -0.25 -0.71 1.51 -1.29 0.00 0.00 177.43 177.42 1x43 s ASP 10 N -4.71 0.91 0.24 1.15 -4.77 -1.26 -5.13 116.67 103.11 1x43 s ASP 10 Ca -0.13 -0.83 -0.30 0.00 -3.30 0.00 0.00 52.55 47.98 1x43 s ASP 10 Cb 0.02 0.09 -0.10 0.00 -1.09 0.00 0.00 42.92 41.84 1x43 s ASP 10 CO 0.44 -0.39 1.46 -0.76 0.70 0.00 0.00 175.17 176.62 1x43 s LEU 11 N -2.47 4.38 -0.13 2.11 1.02 -1.26 -4.95 118.68 117.38 1x43 s LEU 11 Ca 0.03 2.66 -0.20 0.00 0.02 0.00 0.00 54.13 56.64 1x43 s LEU 11 Cb -0.00 -3.62 -0.18 0.00 0.02 0.00 0.00 46.19 42.41 1x43 s LEU 11 CO -0.04 -0.72 0.53 0.50 0.02 0.00 0.00 176.35 176.64 1x43 h LYS 12 N 5.27 -0.00 -1.90 1.70 1.63 -2.01 -3.33 116.57 117.93 1x43 h LYS 12 Ca -0.46 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.23 1x43 h LYS 12 Cb 1.22 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.80 1x43 h LYS 12 CO 0.79 0.68 0.05 -0.85 -3.45 0.00 0.00 179.45 176.68 1x43 n GLU 13 N -4.66 1.36 -0.06 1.90 0.28 -1.26 -4.60 120.64 113.60 1x43 n GLU 13 Ca -0.07 -0.56 -0.14 0.00 -0.16 0.00 0.00 57.16 56.23 1x43 n GLU 13 Cb 0.33 -1.31 -0.09 0.00 1.43 0.00 0.00 31.44 31.79 1x43 n GLU 13 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1x43 h SER 14 N 1.46 -1.72 -4.26 -1.84 0.87 -1.98 -3.41 113.55 102.67 1x43 h SER 14 Ca 0.10 0.22 -0.50 0.00 -1.23 0.00 0.00 61.79 60.38 1x43 h SER 14 Cb 1.04 0.69 0.09 0.00 -0.44 0.00 0.00 62.40 63.78 1x43 h SER 14 CO 0.23 -0.45 0.37 -0.55 -0.53 0.00 0.00 176.83 175.90 1x43 s SER 15 N -4.93 5.41 -0.12 6.23 0.15 -1.26 -5.04 113.70 114.13 1x43 s SER 15 Ca -0.15 1.77 -0.06 0.00 0.70 0.00 0.00 55.95 58.21 1x43 s SER 15 Cb 0.08 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 1x43 s SER 15 CO 0.62 -1.42 0.12 0.21 1.20 0.00 0.00 173.24 173.97 1x43 s ASN 16 N -3.17 6.25 0.31 5.45 3.84 -1.26 -5.09 114.94 121.27 1x43 s ASN 16 Ca 0.62 0.43 -0.14 0.00 0.21 0.00 0.00 52.86 53.98 1x43 s ASN 16 Cb -0.16 -2.00 0.02 0.00 -0.55 0.00 0.00 41.25 38.56 1x43 s ASN 16 CO 0.46 0.41 0.63 0.20 -2.79 0.00 0.00 177.10 176.01 1x43 s ASN 17 N -1.01 0.05 0.59 -4.21 -0.87 -1.26 -5.10 114.94 103.14 1x43 s ASN 17 Ca 0.15 -0.99 -0.07 0.00 -1.57 0.00 0.00 52.86 50.38 1x43 s ASN 17 Cb -0.12 0.72 0.00 0.00 -0.02 0.00 0.00 41.25 41.83 1x43 s ASN 17 CO 0.04 -1.38 0.92 -0.13 -2.57 0.00 0.00 177.10 173.98 1x43 s ARG 18 N -3.34 3.02 0.00 -0.60 1.81 0.58 -4.91 118.95 115.52 1x43 s ARG 18 Ca 0.19 0.13 0.03 0.00 -1.72 0.00 0.00 55.73 54.35 1x43 s ARG 18 Cb -0.03 -2.24 -0.01 0.00 -0.45 0.00 0.00 34.95 32.22 1x43 s ARG 18 CO 0.11 -0.68 -0.09 0.15 -0.68 0.00 0.00 175.30 174.11 1x43 s LYS 19 N -5.02 0.71 -0.07 3.54 -0.14 -1.26 -0.63 119.74 116.86 1x43 s LYS 19 Ca 0.54 -0.42 -0.27 0.00 -1.36 0.00 0.00 55.97 54.46 1x43 s LYS 19 Cb -0.11 -0.67 0.06 0.00 -1.68 0.00 0.00 37.83 35.43 1x43 s LYS 19 CO 0.46 0.18 0.61 0.00 -0.76 0.00 0.00 175.35 175.84 1x43 s ALA 20 N -0.41 -1.57 0.14 5.17 0.00 -1.20 -3.43 121.76 120.46 1x43 s ALA 20 Ca 0.02 1.22 -0.04 0.00 0.00 0.00 0.00 51.96 53.16 1x43 s ALA 20 Cb -0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 1x43 s ALA 20 CO -0.00 -0.34 0.36 0.50 0.00 0.00 0.00 175.76 176.28 1x43 s ARG 21 N -0.98 3.59 0.09 0.00 3.52 -1.24 -2.54 118.95 121.39 1x43 s ARG 21 Ca -0.10 -0.15 -0.19 0.00 -0.13 0.00 0.00 55.73 55.16 1x43 s ARG 21 Cb -0.02 -2.87 -0.07 0.00 -1.56 0.00 0.00 34.95 30.44 1x43 s ARG 21 CO 0.08 0.48 0.58 0.08 -0.81 0.00 0.00 175.30 175.70 1x43 s VAL 22 N -1.66 4.74 -0.10 7.11 1.01 0.13 -0.25 120.40 131.38 1x43 s VAL 22 Ca 0.40 1.16 0.21 0.00 0.00 0.00 0.00 61.98 63.75 1x43 s VAL 22 Cb -0.12 -3.87 -0.24 0.00 0.00 0.00 0.00 36.38 32.15 1x43 s VAL 22 CO 0.25 0.48 0.56 0.18 0.00 0.00 0.00 175.10 176.57 1x43 n LEU 23 N 1.51 0.25 -3.70 3.92 4.77 0.90 -2.25 117.00 122.40 1x43 n LEU 23 Ca -0.09 0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 1x43 n LEU 23 Cb 0.51 0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.59 1x43 n LEU 23 CO 0.42 0.06 0.12 -0.31 -1.33 0.00 0.00 177.39 176.35 1x43 s TYR 24 N -3.26 -0.33 -0.03 -1.77 1.51 -1.26 -4.74 117.35 107.47 1x43 s TYR 24 Ca -0.06 0.61 -0.30 0.00 -1.01 0.00 0.00 57.07 56.30 1x43 s TYR 24 Cb 0.11 0.17 -0.05 0.00 -0.11 0.00 0.00 41.96 42.08 1x43 s TYR 24 CO 0.86 -0.41 1.47 0.16 -1.11 0.00 0.00 175.55 176.53 1x43 s ASP 25 N -1.02 6.79 -0.11 2.29 -4.77 -1.26 -4.44 116.67 114.16 1x43 s ASP 25 Ca -0.11 2.13 -0.01 0.00 -3.30 0.00 0.00 52.55 51.26 1x43 s ASP 25 Cb -0.04 -2.55 -0.03 0.00 -1.09 0.00 0.00 42.92 39.21 1x43 s ASP 25 CO 0.05 -0.79 -0.05 -0.47 0.70 0.00 0.00 175.17 174.60 1x43 s TYR 26 N 2.97 2.99 -0.42 2.11 5.04 0.21 -4.92 117.35 125.32 1x43 s TYR 26 Ca 0.66 -0.12 -0.12 0.00 -2.44 0.00 0.00 57.07 55.05 1x43 s TYR 26 Cb -0.31 -1.82 0.06 0.00 0.35 0.00 0.00 41.96 40.23 1x43 s TYR 26 CO 0.26 0.17 0.29 0.16 -1.34 0.00 0.00 175.55 175.10 1x43 s ASP 27 N -0.30 5.85 0.02 4.32 -4.77 -1.26 0.07 116.67 120.61 1x43 s ASP 27 Ca 0.05 -1.28 -0.37 0.00 -3.30 0.00 0.00 52.55 47.64 1x43 s ASP 27 Cb -0.13 -2.07 -0.16 0.00 -1.09 0.00 0.00 42.92 39.48 1x43 s ASP 27 CO 0.02 -0.53 1.49 0.00 0.70 0.00 0.00 175.17 176.85 1x43 n ALA 28 N 5.04 -0.30 0.07 2.11 0.00 -1.26 -4.87 120.51 121.31 1x43 n ALA 28 Ca -0.11 0.47 -0.06 0.00 0.00 0.00 0.00 53.44 53.73 1x43 n ALA 28 Cb 0.44 -2.18 -0.11 0.00 0.00 0.00 0.00 19.45 17.61 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 5.58 0.38 -2.60 0.00 0.00 -1.92 -3.48 119.26 117.22 1x43 h ALA 29 Ca -0.47 -0.87 -0.13 0.00 0.00 0.00 0.00 54.91 53.43 1x43 h ALA 29 Cb 1.31 -0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 1x43 h ALA 29 CO 0.84 1.20 -0.41 0.54 0.00 0.00 0.00 179.25 181.42 1x43 s ASN 30 N -6.69 0.10 0.19 0.00 6.03 -1.26 -5.04 114.94 108.27 1x43 s ASN 30 Ca 0.01 -1.00 -0.19 0.00 -1.03 0.00 0.00 52.86 50.66 1x43 s ASN 30 Cb 0.10 0.41 0.15 0.00 -3.03 0.00 0.00 41.25 38.88 1x43 s ASN 30 CO 0.81 -0.87 1.60 -1.28 -2.03 0.00 0.00 177.10 175.34 1x43 h SER 31 N 2.61 -0.92 -1.28 3.54 0.87 -1.99 0.35 113.55 116.72 1x43 h SER 31 Ca -0.32 0.20 0.37 0.00 -1.23 0.00 0.00 61.79 60.81 1x43 h SER 31 Cb 1.22 0.49 -0.08 0.00 -0.44 0.00 0.00 62.40 63.59 1x43 h SER 31 CO 0.50 -0.27 0.88 0.71 -0.53 0.00 0.00 176.83 178.12 1x43 h THR 32 N -0.13 0.32 -3.21 2.23 1.35 -1.97 -3.40 112.91 108.11 1x43 h THR 32 Ca 0.24 -0.04 -0.54 0.00 -0.55 0.00 0.00 66.41 65.52 1x43 h THR 32 Cb 0.51 0.18 -0.02 0.00 -1.73 0.00 0.00 68.15 67.10 1x43 h THR 32 CO -0.63 0.02 -0.19 -1.61 -0.25 0.00 0.00 175.52 172.86 1x43 s GLU 33 N -5.16 3.65 0.09 4.72 2.02 0.12 0.14 118.70 124.28 1x43 s GLU 33 Ca -0.07 0.00 0.09 0.00 0.02 0.00 0.00 54.97 55.02 1x43 s GLU 33 Cb 0.26 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.74 1x43 s GLU 33 CO 0.82 0.31 -0.21 -0.51 0.02 0.00 0.00 175.26 175.69 1x43 s LEU 34 N -3.18 2.52 0.16 1.80 1.43 -1.00 -4.67 118.68 115.75 1x43 s LEU 34 Ca 0.43 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.68 1x43 s LEU 34 Cb -0.11 -1.43 -0.07 0.00 0.03 0.00 0.00 46.19 44.60 1x43 s LEU 34 CO 0.27 0.21 0.90 -0.44 0.23 0.00 0.00 176.35 177.52 1x43 s SER 35 N -1.81 7.50 0.07 2.29 0.01 -1.26 -4.12 113.70 116.38 1x43 s SER 35 Ca 0.15 1.79 0.09 0.00 1.31 0.00 0.00 55.95 59.29 1x43 s SER 35 Cb -0.10 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 1x43 s SER 35 CO 0.07 0.07 -0.22 -0.76 0.41 0.00 0.00 173.24 172.82 1x43 s LEU 36 N -0.64 2.47 0.16 2.44 1.43 0.11 -4.92 118.68 119.72 1x43 s LEU 36 Ca 0.42 -0.54 0.06 0.00 -1.03 0.00 0.00 54.13 53.04 1x43 s LEU 36 Cb -0.24 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1x43 s LEU 36 CO 0.29 0.23 0.04 -0.76 0.23 0.00 0.00 176.35 176.39 1x43 s LEU 37 N -1.62 3.49 0.02 1.79 1.43 -1.26 0.64 118.68 123.17 1x43 s LEU 37 Ca 0.14 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 1x43 s LEU 37 Cb -0.10 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 1x43 s LEU 37 CO 0.05 0.09 1.20 0.00 0.23 0.00 0.00 176.35 177.93 1x43 s ALA 38 N -1.69 3.43 -0.32 4.21 0.00 -1.26 -3.41 121.76 122.72 1x43 s ALA 38 Ca 0.28 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 53.00 1x43 s ALA 38 Cb -0.10 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1x43 s ALA 38 CO 0.20 -0.56 0.28 -0.25 0.00 0.00 0.00 175.76 175.43 1x43 n ASP 39 N 4.41 -2.70 -3.91 0.00 8.00 -0.95 -4.96 116.55 116.43 1x43 n ASP 39 Ca 0.10 -0.14 -0.16 0.00 0.71 0.00 0.00 54.79 55.29 1x43 n ASP 39 Cb 0.46 -1.63 -0.15 0.00 -0.02 0.00 0.00 41.12 39.78 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 -4.97 0.43 -0.24 -1.24 -1.05 -1.22 -4.92 118.70 105.48 1x43 s GLU 40 Ca 0.09 -0.10 -0.04 0.00 -0.15 0.00 0.00 54.97 54.78 1x43 s GLU 40 Cb -0.04 -0.46 0.01 0.00 -0.44 0.00 0.00 34.13 33.19 1x43 s GLU 40 CO 0.18 0.02 -0.02 0.54 0.95 0.00 0.00 175.26 176.92 1x43 s VAL 41 N 0.31 3.34 0.50 1.83 0.11 -1.26 0.21 120.40 125.44 1x43 s VAL 41 Ca -0.03 -0.70 0.04 0.00 -2.93 0.00 0.00 61.98 58.36 1x43 s VAL 41 Cb -0.07 -2.62 -0.01 0.00 -1.53 0.00 0.00 36.38 32.16 1x43 s VAL 41 CO -0.00 0.28 0.16 0.27 -3.33 0.00 0.00 175.10 172.48 1x43 s ILE 42 N 1.44 1.57 -0.33 7.04 -4.36 -1.05 -4.92 121.20 120.58 1x43 s ILE 42 Ca 0.03 -1.78 -0.24 0.00 -0.26 0.00 0.00 60.65 58.41 1x43 s ILE 42 Cb -0.16 -2.35 0.00 0.00 1.25 0.00 0.00 42.46 41.21 1x43 s ILE 42 CO -0.03 0.00 0.81 -0.89 0.24 0.00 0.00 174.94 175.07 1x43 s THR 43 N -2.78 4.75 0.11 8.37 2.01 -1.26 -3.21 115.64 123.63 1x43 s THR 43 Ca 0.23 1.12 0.08 0.00 0.31 0.00 0.00 61.69 63.43 1x43 s THR 43 Cb 0.01 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 1x43 s THR 43 CO 0.13 -0.33 -0.13 0.68 -0.69 0.00 0.00 174.62 174.28 1x43 s VAL 44 N 3.06 3.17 -0.15 3.82 -7.23 0.20 -1.67 120.40 121.59 1x43 s VAL 44 Ca 0.33 -1.36 -0.29 0.00 -1.81 0.00 0.00 61.98 58.85 1x43 s VAL 44 Cb -0.14 -2.47 0.08 0.00 0.56 0.00 0.00 36.38 34.41 1x43 s VAL 44 CO 0.14 0.11 0.75 0.72 -0.31 0.00 0.00 175.10 176.51 1x43 s PHE 45 N -1.19 -0.66 0.32 2.82 -0.71 -0.63 -0.31 117.98 117.62 1x43 s PHE 45 Ca 0.20 1.35 -0.22 0.00 -1.04 0.00 0.00 56.93 57.22 1x43 s PHE 45 Cb -0.11 0.36 -0.10 0.00 -1.21 0.00 0.00 43.02 41.97 1x43 s PHE 45 CO 0.12 -0.48 0.86 -1.12 -1.34 0.00 0.00 175.22 173.26 1x43 s SER 46 N -0.56 7.11 -0.03 1.98 0.01 -1.26 0.80 113.70 121.75 1x43 s SER 46 Ca -0.05 1.62 0.02 0.00 1.31 0.00 0.00 55.95 58.85 1x43 s SER 46 Cb -0.02 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1x43 s SER 46 CO 0.05 -0.12 -0.09 -0.69 0.41 0.00 0.00 173.24 172.80 1x43 s VAL 47 N -1.76 0.79 0.18 3.43 1.01 -1.26 -4.93 120.40 117.87 1x43 s VAL 47 Ca 0.51 -0.35 -0.32 0.00 0.00 0.00 0.00 61.98 61.82 1x43 s VAL 47 Cb -0.15 -0.71 -0.16 0.00 0.00 0.00 0.00 36.38 35.36 1x43 s VAL 47 CO 0.20 0.25 1.02 0.52 0.00 0.00 0.00 175.10 177.09 1x43 n VAL 48 N 3.35 1.19 -1.59 2.92 0.31 -1.26 -1.42 118.33 121.84 1x43 n VAL 48 Ca -0.19 -0.30 -0.04 0.00 -0.01 0.00 0.00 64.34 63.81 1x43 n VAL 48 Cb 0.54 -0.66 -0.01 0.00 -0.91 0.00 0.00 33.84 32.80 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 1.82 0.44 3.63 2.92 0.00 -1.26 -5.04 105.19 107.69 1x43 n GLY 49 Ca 0.15 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.26 2.24 0.42 1.61 0.00 -0.51 -5.12 119.30 114.68 1x43 s MET 50 Ca 0.00 -1.36 -0.22 0.00 0.00 0.00 0.00 55.69 54.12 1x43 s MET 50 Cb 0.00 -2.17 -0.11 0.00 0.00 0.00 0.00 34.83 32.55 1x43 s MET 50 CO 0.00 0.39 0.95 -0.51 0.00 0.00 0.00 175.02 175.85 1x43 s ASP 51 N -3.40 6.96 0.47 1.11 1.01 -1.26 -4.95 116.67 116.60 1x43 s ASP 51 Ca 0.29 1.73 0.24 0.00 0.71 0.00 0.00 52.55 55.53 1x43 s ASP 51 Cb -0.07 -2.55 1.12 0.00 1.01 0.00 0.00 42.92 42.43 1x43 s ASP 51 CO 0.19 -0.34 1.92 0.28 0.21 0.00 0.00 175.17 177.43 1x43 h SER 52 N 2.08 0.00 -0.34 0.27 0.02 -1.99 -2.17 113.55 111.41 1x43 h SER 52 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1x43 h SER 52 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1x43 h SER 52 CO 0.61 0.20 0.00 0.47 -1.14 0.00 0.00 176.83 176.98 1x43 n ASP 53 N -3.54 3.31 -3.71 3.07 8.00 -1.26 -4.82 116.55 117.59 1x43 n ASP 53 Ca -0.01 -2.40 -0.12 0.00 0.71 0.00 0.00 54.79 52.98 1x43 n ASP 53 Cb 0.35 -0.53 -0.11 0.00 -0.02 0.00 0.00 41.12 40.82 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 -1.86 -0.52 0.51 1.24 0.52 -0.82 -2.64 118.94 115.38 1x43 s TRP 54 Ca 0.30 1.17 0.01 0.00 0.02 0.00 0.00 56.10 57.60 1x43 s TRP 54 Cb 0.21 0.21 -0.01 0.00 -1.15 0.00 0.00 33.47 32.73 1x43 s TRP 54 CO 0.11 -0.28 0.03 -0.51 0.02 0.00 0.00 176.95 176.32 1x43 s LEU 55 N 0.87 2.32 -0.55 2.99 1.43 0.74 -4.36 118.68 122.13 1x43 s LEU 55 Ca -0.05 -1.63 -0.17 0.00 -1.03 0.00 0.00 54.13 51.25 1x43 s LEU 55 Cb -0.06 -0.76 0.11 0.00 0.03 0.00 0.00 46.19 45.51 1x43 s LEU 55 CO -0.07 -0.86 0.57 -0.32 0.23 0.00 0.00 176.35 175.90 1x43 s MET 56 N -3.90 3.02 0.07 1.70 1.75 0.24 -0.27 119.30 121.90 1x43 s MET 56 Ca 0.08 -1.48 -0.13 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 33.37 1x43 s MET 56 CO 0.04 -1.37 0.45 0.20 -0.65 0.00 0.00 175.02 173.69 1x43 s GLY 57 N 3.45 2.44 -0.21 2.11 0.00 -0.17 -1.61 107.32 113.34 1x43 s GLY 57 Ca 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 44.72 44.54 1x43 s GLY 57 CO 0.05 0.07 -0.00 1.85 0.00 0.00 0.00 173.10 175.07 1x43 s GLU 58 N -1.56 1.03 -0.33 2.90 2.12 -0.67 -2.05 118.70 120.14 1x43 s GLU 58 Ca 0.30 -0.62 -0.04 0.00 0.36 0.00 0.00 54.97 54.97 1x43 s GLU 58 Cb -0.16 -2.27 0.05 0.00 0.26 0.00 0.00 34.13 32.02 1x43 s GLU 58 CO 0.17 -0.61 0.07 0.50 -0.54 0.00 0.00 175.26 174.85 1x43 s ARG 59 N 1.68 2.52 3.88 4.30 3.52 -1.05 -3.98 118.95 129.82 1x43 s ARG 59 Ca -0.03 -1.25 0.00 0.00 -0.13 0.00 0.00 55.73 54.33 1x43 s ARG 59 Cb -0.18 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 29.85 1x43 s ARG 59 CO -0.07 -0.67 0.00 0.41 -0.81 0.00 0.00 175.30 174.16 1x43 n GLY 60 N 4.73 0.54 2.23 8.12 0.00 -1.26 -1.41 105.19 118.13 1x43 n GLY 60 Ca -0.12 0.63 -0.26 0.00 0.00 0.00 0.00 46.02 46.26 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 8.14 5.19 -4.08 1.61 4.13 -1.26 -5.02 115.26 123.97 1x43 n ASN 61 Ca 0.00 -3.75 -0.08 0.00 1.68 0.00 0.00 54.58 52.44 1x43 n ASN 61 Cb 0.00 -0.46 -0.10 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 -3.62 0.69 -0.13 3.52 -0.21 -0.50 -5.17 119.66 114.24 1x43 s GLN 62 Ca 0.51 -1.23 -0.14 0.00 0.02 0.00 0.00 55.36 54.53 1x43 s GLN 62 Cb 0.42 0.23 0.04 0.00 1.00 0.00 0.00 33.01 34.69 1x43 s GLN 62 CO -0.06 -0.15 0.38 0.15 -2.12 0.00 0.00 175.29 173.49 1x43 s LYS 63 N -3.93 0.48 -0.01 2.91 1.02 -1.26 -2.54 119.74 116.41 1x43 s LYS 63 Ca 0.09 0.44 -0.05 0.00 0.02 0.00 0.00 55.97 56.48 1x43 s LYS 63 Cb 0.08 0.23 0.02 0.00 -0.52 0.00 0.00 37.83 37.63 1x43 s LYS 63 CO -0.08 -0.07 0.23 0.41 -0.92 0.00 0.00 175.35 174.92 1x43 n GLY 64 N 2.66 0.54 3.83 -3.33 0.00 -0.87 -4.84 105.19 103.17 1x43 n GLY 64 Ca -0.14 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 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 4.09 -0.04 1.61 1.02 0.12 -1.00 119.74 123.54 1x43 s LYS 65 Ca 0.05 0.68 0.02 0.00 0.02 0.00 0.00 55.97 56.74 1x43 s LYS 65 Cb -0.00 -2.80 0.01 0.00 -0.52 0.00 0.00 37.83 34.52 1x43 s LYS 65 CO -0.00 0.37 -0.07 0.14 -0.92 0.00 0.00 175.35 174.87 1x43 s VAL 66 N -1.61 0.72 -0.10 3.17 -7.23 0.63 -2.37 120.40 113.62 1x43 s VAL 66 Ca 0.44 -0.26 -0.29 0.00 -1.81 0.00 0.00 61.98 60.05 1x43 s VAL 66 Cb -0.15 -0.69 -0.04 0.00 0.56 0.00 0.00 36.38 36.06 1x43 s VAL 66 CO 0.20 0.25 1.53 -2.16 -0.31 0.00 0.00 175.10 174.61 1x43 s PRO 67 N 0.64 4.18 0.37 4.82 0.04 -1.26 -0.19 135.00 143.60 1x43 s PRO 67 Ca -0.10 1.99 0.07 0.00 0.04 0.00 0.00 61.00 63.00 1x43 s PRO 67 Cb -0.13 -3.92 0.72 0.00 0.04 0.00 0.00 34.50 31.22 1x43 s PRO 67 CO 0.01 -0.83 1.94 0.82 0.04 0.00 0.00 177.00 178.98 1x43 h ILE 68 N 5.58 1.16 0.00 0.56 5.03 -1.83 -1.61 117.51 126.40 1x43 h ILE 68 Ca -0.35 -0.62 0.00 0.00 -0.12 0.00 0.00 64.86 63.77 1x43 h ILE 68 Cb 1.15 0.91 0.00 0.00 -3.03 0.00 0.00 36.82 35.85 1x43 h ILE 68 CO 0.96 0.22 0.04 0.71 -0.68 0.00 0.00 178.15 179.40 1x43 h THR 69 N 0.44 0.00 0.00 -0.27 1.35 -1.91 0.20 112.91 112.72 1x43 h THR 69 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 1x43 h THR 69 Cb 0.24 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 1x43 h THR 69 CO 0.00 0.00 -0.71 -1.22 -0.25 0.00 0.00 175.52 173.34 1x43 n TYR 70 N -2.33 0.00 -4.22 4.73 4.02 -0.62 -4.95 117.16 113.78 1x43 n TYR 70 Ca -0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.56 1x43 n TYR 70 Cb 0.08 -0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.31 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 -2.72 3.53 -0.65 7.72 1.43 0.70 -0.07 118.68 128.62 1x43 s LEU 71 Ca 0.06 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.15 1x43 s LEU 71 Cb 0.11 -2.11 0.17 0.00 0.03 0.00 0.00 46.19 44.39 1x43 s LEU 71 CO 0.62 0.24 0.45 -0.70 0.23 0.00 0.00 176.35 177.19 1x43 s GLU 72 N -1.83 2.23 -0.70 1.70 2.12 0.65 -4.88 118.70 117.99 1x43 s GLU 72 Ca 0.22 -3.13 -0.32 0.00 0.36 0.00 0.00 54.97 52.11 1x43 s GLU 72 Cb -0.12 -3.17 -0.18 0.00 0.26 0.00 0.00 34.13 30.92 1x43 s GLU 72 CO 0.13 -1.28 2.17 1.28 -0.54 0.00 0.00 175.26 177.02 1x43 n LEU 73 N 2.18 0.41 -4.62 2.70 4.77 -1.26 -3.66 117.00 117.52 1x43 n LEU 73 Ca 0.19 0.33 -0.29 0.00 -0.03 0.00 0.00 56.01 56.22 1x43 n LEU 73 Cb 0.36 -0.80 0.20 0.00 -2.33 0.00 0.00 43.42 40.86 1x43 n LEU 73 CO 0.25 -0.65 0.60 -0.76 -1.33 0.00 0.00 177.39 175.51 1x43 s LEU 74 N 6.84 1.36 -1.13 2.23 1.43 -1.22 -3.32 118.68 124.87 1x43 s LEU 74 Ca 1.13 1.31 -0.14 0.00 -1.03 0.00 0.00 54.13 55.40 1x43 s LEU 74 Cb -1.18 -3.41 0.14 0.00 0.03 0.00 0.00 46.19 41.77 1x43 s LEU 74 CO 0.49 -3.49 0.36 -3.20 0.23 0.00 0.00 176.35 170.73 1x43 n ASN 75 N -4.43 -1.33 -0.03 2.29 2.85 -1.26 -4.76 115.26 108.59 1x43 n ASN 75 Ca 0.05 -0.62 -0.11 0.00 -0.11 0.00 0.00 54.58 53.78 1x43 n ASN 75 Cb 0.56 -1.20 -0.04 0.00 1.24 0.00 0.00 39.78 40.34 1x43 n ASN 75 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1x43 h SER 76 N -0.52 0.18 -2.27 1.20 4.64 -1.94 -3.48 113.55 111.37 1x43 h SER 76 Ca -0.36 -0.04 0.23 0.00 -0.47 0.00 0.00 61.79 61.16 1x43 h SER 76 Cb 1.07 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.07 1x43 h SER 76 CO 0.54 0.16 0.70 0.61 -0.87 0.00 0.00 176.83 177.97 1x43 n GLY 77 N -1.05 0.45 0.20 -0.77 0.00 -1.26 -5.01 105.19 97.75 1x43 n GLY 77 Ca -0.04 -1.09 0.15 0.00 0.00 0.00 0.00 46.02 45.03 1x43 n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x43 h PRO 78 N 0.00 0.00 -6.97 1.61 0.13 -2.03 -3.45 132.00 121.28 1x43 h PRO 78 Ca -0.23 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.38 1x43 h PRO 78 Cb 1.14 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.48 1x43 h PRO 78 CO 0.32 0.00 -0.29 0.43 -0.23 0.00 0.00 178.00 178.23 1x43 n SER 79 N -2.65 -1.23 -0.25 1.44 7.64 -1.26 -4.90 113.62 112.41 1x43 n SER 79 Ca 0.01 0.29 -0.06 0.00 1.01 0.00 0.00 58.87 60.12 1x43 n SER 79 Cb 0.26 -1.29 0.05 0.00 -1.01 0.00 0.00 64.21 62.22 1x43 n SER 79 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x43 h SER 80 N -1.81 0.90 0.00 6.43 0.02 -2.06 -3.51 113.55 113.53 1x43 h SER 80 Ca -0.45 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 1x43 h SER 80 Cb 1.29 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1x43 h SER 80 CO 0.38 0.78 0.00 0.61 -1.14 0.00 0.00 176.83 177.46