#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2htd s GLN -1 N 0.00 2.84 0.00 -1.08 -2.07 -1.26 -5.17 119.66 112.92 2htd s GLN -1 Ca 0.00 1.27 0.00 0.00 -1.82 0.00 0.00 55.36 54.81 2htd s GLN -1 Cb 0.00 -1.96 0.00 0.00 -1.09 0.00 0.00 33.01 29.96 2htd s GLN -1 CO 0.00 -1.20 0.00 0.41 -1.32 0.00 0.00 175.29 173.18 2htd n GLY 0 N -0.87 -2.89 3.52 2.60 0.00 -1.26 -5.08 105.19 101.21 2htd n GLY 0 Ca 0.09 -1.28 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 2htd n GLY 0 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2htd s LYS 2 N -0.08 0.84 0.18 1.61 0.00 -0.71 -4.96 119.74 116.61 2htd s LYS 2 Ca 0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 55.97 55.56 2htd s LYS 2 Cb 0.00 0.39 -0.09 0.00 0.00 0.00 0.00 37.83 38.13 2htd s LYS 2 CO 0.00 -0.33 1.43 0.21 0.00 0.00 0.00 175.35 176.66 2htd s LYS 3 N -2.31 4.30 0.00 1.78 2.20 -1.26 -1.78 119.74 122.67 2htd s LYS 3 Ca 0.00 2.19 0.26 0.00 -0.36 0.00 0.00 55.97 58.06 2htd s LYS 3 Cb -0.01 -3.18 0.56 0.00 -1.51 0.00 0.00 37.83 33.69 2htd s LYS 3 CO -0.03 -0.43 1.45 1.28 -0.36 0.00 0.00 175.35 177.25 2htd n LEU 4 N 3.27 1.79 -3.76 5.43 4.77 -0.02 -4.93 117.00 123.55 2htd n LEU 4 Ca 0.10 -0.59 -0.25 0.00 -0.03 0.00 0.00 56.01 55.24 2htd n LEU 4 Cb 0.41 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.50 2htd n LEU 4 CO 0.60 0.31 0.03 0.59 -1.33 0.00 0.00 177.39 177.59 2htd n ASN 5 N 0.13 -2.92 -3.78 -1.43 4.13 -1.26 -4.99 115.26 105.14 2htd n ASN 5 Ca 0.14 -0.78 -0.09 0.00 1.68 0.00 0.00 54.58 55.53 2htd n ASN 5 Cb 0.43 -4.10 -0.06 0.00 -1.54 0.00 0.00 39.78 34.50 2htd n ASN 5 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2htd s THR 6 N -3.50 0.11 -0.30 3.41 -1.32 -1.26 -5.04 115.64 107.75 2htd s THR 6 Ca 0.29 -0.96 0.15 0.00 -1.21 0.00 0.00 61.69 59.96 2htd s THR 6 Cb -0.14 -1.30 0.43 0.00 -1.51 0.00 0.00 72.50 69.98 2htd s THR 6 CO 0.81 -0.51 1.34 -0.46 -2.21 0.00 0.00 174.62 173.59 2htd n ASN 7 N -0.13 3.42 -4.19 8.08 6.94 -1.26 -2.07 115.26 126.05 2htd n ASN 7 Ca -0.15 -2.80 -0.34 0.00 -0.02 0.00 0.00 54.58 51.27 2htd n ASN 7 Cb 0.63 -0.45 -0.15 0.00 -2.36 0.00 0.00 39.78 37.45 2htd n ASN 7 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2htd s LYS 8 N -2.43 3.13 0.38 -3.83 1.02 -1.26 -4.17 119.74 112.57 2htd s LYS 8 Ca 0.36 -0.76 -0.27 0.00 0.02 0.00 0.00 55.97 55.31 2htd s LYS 8 Cb 0.28 -2.71 -0.10 0.00 -0.52 0.00 0.00 37.83 34.79 2htd s LYS 8 CO 0.09 -0.19 1.32 -0.51 -0.92 0.00 0.00 175.35 175.14 2htd s LEU 9 N 1.31 4.30 0.88 3.17 1.43 0.88 -4.99 118.68 125.67 2htd s LEU 9 Ca 0.04 2.71 -0.13 0.00 -1.03 0.00 0.00 54.13 55.72 2htd s LEU 9 Cb -0.14 -3.79 0.12 0.00 0.03 0.00 0.00 46.19 42.42 2htd s LEU 9 CO -0.09 -0.74 1.17 0.42 0.23 0.00 0.00 176.35 177.34 2htd s THR 10 N -1.20 1.99 0.25 5.49 -4.23 -1.26 -4.82 115.64 111.86 2htd s THR 10 Ca 0.53 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 61.00 2htd s THR 10 Cb -0.39 -2.86 0.20 0.00 1.34 0.00 0.00 72.50 70.79 2htd s THR 10 CO 0.52 0.00 1.87 -0.08 -0.54 0.00 0.00 174.62 176.38 2htd h GLU 11 N -1.37 1.14 -0.71 3.99 4.57 -1.99 0.11 114.58 120.32 2htd h GLU 11 Ca -0.48 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 57.52 2htd h GLU 11 Cb 1.32 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.66 2htd h GLU 11 CO 0.61 0.85 0.32 1.49 -1.18 0.00 0.00 179.01 181.11 2htd h GLU 12 N 1.14 1.03 -0.15 1.92 4.22 -1.99 -0.70 114.58 120.05 2htd h GLU 12 Ca 0.28 -0.15 -0.21 0.00 0.08 0.00 0.00 59.36 59.36 2htd h GLU 12 Cb 0.07 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2htd h GLU 12 CO -0.04 0.81 -0.73 1.96 -2.18 0.00 0.00 179.01 178.83 2htd h GLN 13 N 1.02 0.69 -0.56 1.92 4.20 -1.63 -1.27 115.11 119.47 2htd h GLN 13 Ca 0.25 -0.54 0.08 0.00 0.06 0.00 0.00 58.65 58.49 2htd h GLN 13 Cb 0.13 0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.96 2htd h GLN 13 CO -0.03 1.16 0.23 0.28 -0.67 0.00 0.00 178.83 179.79 2htd h VAL 14 N 0.48 0.83 -0.03 -0.54 2.07 -0.51 -2.06 116.25 116.49 2htd h VAL 14 Ca -0.04 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 2htd h VAL 14 Cb 1.34 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2htd h VAL 14 CO 0.14 0.08 -0.42 0.78 0.02 0.00 0.00 177.57 178.18 2htd h ASN 15 N 0.42 0.06 -0.37 0.57 2.35 -0.99 -0.56 115.58 117.08 2htd h ASN 15 Ca 0.27 -0.02 0.04 0.00 -0.55 0.00 0.00 56.30 56.04 2htd h ASN 15 Cb 0.29 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 2htd h ASN 15 CO -0.25 0.47 0.14 -0.07 -1.65 0.00 0.00 177.43 176.06 2htd h LEU 16 N 0.05 0.16 -0.92 1.61 3.38 -0.70 -1.10 115.31 117.79 2htd h LEU 16 Ca 0.00 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2htd h LEU 16 Cb 0.76 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 2htd h LEU 16 CO 0.06 0.13 0.19 -0.26 0.09 0.00 0.00 178.44 178.64 2htd h PHE 17 N 0.30 1.01 -0.32 1.13 0.04 -0.93 -2.55 116.94 115.61 2htd h PHE 17 Ca 0.16 -0.09 -0.13 0.00 2.80 0.00 0.00 57.97 60.71 2htd h PHE 17 Cb 0.13 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 2htd h PHE 17 CO -0.14 0.81 -0.33 0.87 -0.60 0.00 0.00 178.31 178.92 2htd h LYS 18 N 0.95 0.71 -0.00 1.51 1.57 -0.86 -3.36 116.57 117.09 2htd h LYS 18 Ca 0.21 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2htd h LYS 18 Cb 0.29 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2htd h LYS 18 CO -0.01 0.94 -0.85 0.09 -0.57 0.00 0.00 179.45 179.05 2htd n ASN 19 N -4.06 0.92 -4.34 0.86 3.02 -0.44 -4.97 115.26 106.25 2htd n ASN 19 Ca -0.01 -0.96 -0.20 0.00 -0.03 0.00 0.00 54.58 53.38 2htd n ASN 19 Cb 0.49 0.97 -0.10 0.00 -0.61 0.00 0.00 39.78 40.53 2htd n ASN 19 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2htd s ASN 20 N -2.73 2.61 -0.03 6.41 0.01 -0.97 -5.07 114.94 115.18 2htd s ASN 20 Ca 0.07 -0.95 -0.30 0.00 -0.71 0.00 0.00 52.86 50.97 2htd s ASN 20 Cb 0.14 -0.15 -0.06 0.00 0.41 0.00 0.00 41.25 41.60 2htd s ASN 20 CO 0.75 -0.11 1.56 -0.22 -1.51 0.00 0.00 177.10 177.57 2htd s LEU 21 N -3.05 4.32 0.09 0.60 2.96 -1.26 -4.85 118.68 117.49 2htd s LEU 21 Ca 0.20 2.20 -0.17 0.00 -0.22 0.00 0.00 54.13 56.13 2htd s LEU 21 Cb -0.03 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 43.05 2htd s LEU 21 CO 0.07 -0.86 0.55 -0.69 -1.32 0.00 0.00 176.35 174.10 2htd s VAL 22 N 3.37 4.80 -0.04 1.68 1.01 -1.26 -4.59 120.40 125.38 2htd s VAL 22 Ca 0.70 1.06 0.03 0.00 0.00 0.00 0.00 61.98 63.76 2htd s VAL 22 Cb -0.33 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 2htd s VAL 22 CO 0.28 0.46 -0.10 -0.31 0.00 0.00 0.00 175.10 175.43 2htd s TYR 23 N -1.22 2.82 0.01 5.22 1.51 -0.76 0.05 117.35 124.98 2htd s TYR 23 Ca 0.31 -0.07 0.07 0.00 -1.01 0.00 0.00 57.07 56.37 2htd s TYR 23 Cb -0.18 -1.65 -0.02 0.00 -0.11 0.00 0.00 41.96 40.00 2htd s TYR 23 CO 0.18 0.28 -0.21 -1.17 -1.11 0.00 0.00 175.55 173.53 2htd s LEU 24 N -0.94 2.10 0.00 -1.29 0.20 0.39 -1.31 118.68 117.83 2htd s LEU 24 Ca 0.13 -0.45 0.05 0.00 0.69 0.00 0.00 54.13 54.55 2htd s LEU 24 Cb -0.11 -1.04 -0.01 0.00 -0.43 0.00 0.00 46.19 44.60 2htd s LEU 24 CO 0.02 0.22 -0.14 0.00 -0.29 0.00 0.00 176.35 176.16 2htd s ALA 25 N -0.63 1.20 0.31 5.97 0.00 0.65 -1.43 121.76 127.83 2htd s ALA 25 Ca 0.08 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.41 2htd s ALA 25 Cb -0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2htd s ALA 25 CO 0.00 0.28 0.17 0.95 0.00 0.00 0.00 175.76 177.17 2htd s THR 26 N -0.44 0.30 -0.09 0.00 -4.23 -0.82 -1.18 115.64 109.18 2htd s THR 26 Ca 0.05 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.59 2htd s THR 26 Cb -0.06 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.29 2htd s THR 26 CO -0.00 0.00 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.18 2htd s VAL 27 N -3.57 1.82 0.62 2.29 1.01 -1.26 -0.67 120.40 120.65 2htd s VAL 27 Ca 0.35 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 2htd s VAL 27 Cb 0.04 -1.59 0.14 0.00 0.00 0.00 0.00 36.38 34.97 2htd s VAL 27 CO 0.18 0.51 0.85 -0.90 0.00 0.00 0.00 175.10 175.74 2htd n ASP 28 N 3.59 0.48 0.29 3.32 5.68 0.25 -4.73 116.55 125.44 2htd n ASP 28 Ca -0.20 -1.56 0.18 0.00 -0.50 0.00 0.00 54.79 52.71 2htd n ASP 28 Cb 0.53 -0.61 0.83 0.00 -1.14 0.00 0.00 41.12 40.72 2htd n ASP 28 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2htd h ALA 29 N -1.27 1.03 -0.17 2.12 0.00 -1.97 -1.75 119.26 117.25 2htd h ALA 29 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2htd h ALA 29 Cb 0.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2htd h ALA 29 CO 0.24 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.26 2htd n ASP 30 N -3.15 2.49 0.00 0.00 8.00 -1.26 -4.93 116.55 117.70 2htd n ASP 30 Ca -0.01 -1.83 0.00 0.00 0.71 0.00 0.00 54.79 53.67 2htd n ASP 30 Cb 0.24 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2htd n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2htd n GLY 31 N 1.30 0.69 3.91 0.44 0.00 -0.66 -5.06 105.19 105.81 2htd n GLY 31 Ca 0.17 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2htd n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2htd s ASN 32 N -2.19 6.43 0.65 1.61 0.01 -1.26 -4.79 114.94 115.39 2htd s ASN 32 Ca 0.00 0.44 -0.13 0.00 -0.71 0.00 0.00 52.86 52.45 2htd s ASN 32 Cb 0.00 -2.03 -0.01 0.00 0.41 0.00 0.00 41.25 39.62 2htd s ASN 32 CO 0.00 0.10 1.06 -2.16 -1.51 0.00 0.00 177.10 174.60 2htd s PRO 33 N -2.60 3.05 0.03 -0.60 0.04 -1.26 -0.58 135.00 133.08 2htd s PRO 33 Ca 0.38 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.57 2htd s PRO 33 Cb -0.13 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 2htd s PRO 33 CO 0.26 -1.02 -0.07 -1.14 0.04 0.00 0.00 177.00 175.08 2htd s GLN 34 N -4.49 0.47 -0.10 4.56 -0.44 0.16 -4.83 119.66 114.99 2htd s GLN 34 Ca 0.62 -0.61 -0.14 0.00 -2.50 0.00 0.00 55.36 52.73 2htd s GLN 34 Cb -0.16 -0.26 0.03 0.00 -1.64 0.00 0.00 33.01 30.98 2htd s GLN 34 CO 0.45 0.05 0.35 0.54 0.50 0.00 0.00 175.29 177.18 2htd s VAL 35 N -1.11 0.02 0.06 1.34 0.11 -1.26 -1.94 120.40 117.62 2htd s VAL 35 Ca -0.08 -0.14 -0.27 0.00 -2.93 0.00 0.00 61.98 58.56 2htd s VAL 35 Cb -0.08 -0.55 0.09 0.00 -1.53 0.00 0.00 36.38 34.31 2htd s VAL 35 CO 0.00 -0.08 0.91 -0.83 -3.33 0.00 0.00 175.10 171.78 2htd s GLY 36 N -0.28 -0.38 0.44 6.54 0.00 -0.52 -5.00 107.32 108.12 2htd s GLY 36 Ca -0.04 0.67 -0.23 0.00 0.00 0.00 0.00 44.72 45.12 2htd s GLY 36 CO 0.02 0.21 1.07 2.56 0.00 0.00 0.00 173.10 176.96 2htd s PRO 37 N -3.19 3.97 -0.31 2.90 0.04 -1.26 -0.46 135.00 136.69 2htd s PRO 37 Ca 0.08 1.53 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 2htd s PRO 37 Cb -0.01 -2.39 0.10 0.00 0.04 0.00 0.00 34.50 32.24 2htd s PRO 37 CO -0.05 -0.32 0.11 0.15 0.04 0.00 0.00 177.00 176.93 2htd s LYS 38 N -2.74 0.63 0.51 4.56 -0.14 0.11 -4.84 119.74 117.83 2htd s LYS 38 Ca 0.62 -1.00 0.29 0.00 -1.36 0.00 0.00 55.97 54.51 2htd s LYS 38 Cb -0.22 -1.84 1.35 0.00 -1.68 0.00 0.00 37.83 35.44 2htd s LYS 38 CO 0.27 -1.00 2.00 0.78 -0.76 0.00 0.00 175.35 176.65 2htd h GLY 39 N 8.10 0.00 -7.14 -3.33 0.00 -1.96 -3.35 103.07 95.39 2htd h GLY 39 Ca -0.14 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.54 2htd h GLY 39 CO 0.46 0.00 0.18 -1.35 0.00 0.00 0.00 176.54 175.83 2htd s SER 40 N -6.00 6.35 0.00 0.19 1.04 -1.26 -4.96 113.70 109.05 2htd s SER 40 Ca -0.01 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2htd s SER 40 Cb 0.11 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.90 2htd s SER 40 CO 0.58 -0.80 0.00 0.35 0.98 0.00 0.00 173.24 174.34 2htd n THR 42 N 5.91 0.00 -3.94 2.02 -2.24 0.11 -4.27 114.28 111.86 2htd n THR 42 Ca -0.01 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.42 2htd n THR 42 Cb 0.48 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.58 2htd n THR 42 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2htd s VAL 43 N -2.00 3.72 -0.05 2.28 1.01 -1.26 -0.84 120.40 123.25 2htd s VAL 43 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 2htd s VAL 43 Cb 0.00 -2.70 -0.31 0.00 0.00 0.00 0.00 36.38 33.38 2htd s VAL 43 CO 0.00 0.41 0.67 -0.07 0.00 0.00 0.00 175.10 176.11 2htd h LEU 44 N 7.94 0.61 -7.68 3.92 3.38 -0.96 -3.48 115.31 119.03 2htd h LEU 44 Ca -0.39 -0.92 0.19 0.00 0.09 0.00 0.00 57.88 56.85 2htd h LEU 44 Cb 1.17 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 2htd h LEU 44 CO 0.60 1.78 0.53 1.51 0.09 0.00 0.00 178.44 182.94 2htd s ASP 45 N -7.28 -0.13 0.52 -0.43 1.47 -1.05 -4.98 116.67 104.78 2htd s ASP 45 Ca -0.16 -0.43 0.29 0.00 1.18 0.00 0.00 52.55 53.43 2htd s ASP 45 Cb 0.05 0.47 1.59 0.00 -0.34 0.00 0.00 42.92 44.69 2htd s ASP 45 CO 0.85 -0.87 1.88 -0.65 0.68 0.00 0.00 175.17 177.06 2htd h PRO 46 N 2.00 0.00 -0.14 2.11 0.11 -1.94 -1.47 132.00 132.66 2htd h PRO 46 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2htd h PRO 46 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2htd h PRO 46 CO 0.27 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.49 2htd n SER 47 N -2.64 2.23 -3.78 -2.05 7.64 -1.26 -0.08 113.62 113.68 2htd n SER 47 Ca -0.02 -1.78 -0.14 0.00 1.01 0.00 0.00 58.87 57.94 2htd n SER 47 Cb 0.19 -0.09 -0.15 0.00 -1.01 0.00 0.00 64.21 63.15 2htd n SER 47 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2htd s HIS 48 N -0.86 -0.08 0.40 1.43 3.76 -0.55 -1.10 115.29 118.28 2htd s HIS 48 Ca 0.11 0.30 0.07 0.00 -0.15 0.00 0.00 55.06 55.40 2htd s HIS 48 Cb 0.06 -0.10 -0.07 0.00 1.11 0.00 0.00 32.58 33.58 2htd s HIS 48 CO 0.09 -0.11 0.05 -0.51 -0.85 0.00 0.00 174.74 173.41 2htd s LEU 49 N 0.84 2.95 -0.11 0.89 1.43 -0.44 -0.30 118.68 123.95 2htd s LEU 49 Ca -0.07 -1.24 -0.16 0.00 -1.03 0.00 0.00 54.13 51.64 2htd s LEU 49 Cb -0.09 -1.11 0.04 0.00 0.03 0.00 0.00 46.19 45.06 2htd s LEU 49 CO -0.03 -0.44 0.40 -1.58 0.23 0.00 0.00 176.35 174.93 2htd s GLN 50 N -3.76 0.58 0.19 1.70 0.74 -0.02 -0.55 119.66 118.54 2htd s GLN 50 Ca 0.37 0.32 -0.08 0.00 0.05 0.00 0.00 55.36 56.03 2htd s GLN 50 Cb 0.07 0.27 -0.02 0.00 1.10 0.00 0.00 33.01 34.44 2htd s GLN 50 CO 0.19 -0.12 0.28 1.52 -0.55 0.00 0.00 175.29 176.62 2htd s TYR 51 N -0.35 0.58 -0.15 1.67 1.13 -0.39 0.05 117.35 119.90 2htd s TYR 51 Ca -0.05 -0.92 -0.12 0.00 -1.41 0.00 0.00 57.07 54.57 2htd s TYR 51 Cb -0.03 -0.13 -0.05 0.00 -1.10 0.00 0.00 41.96 40.64 2htd s TYR 51 CO 0.02 -0.76 0.24 -0.51 -2.51 0.00 0.00 175.55 172.03 2htd s LEU 52 N -3.03 4.28 -0.48 -3.49 1.43 -1.26 -1.03 118.68 115.11 2htd s LEU 52 Ca 0.24 0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 53.66 2htd s LEU 52 Cb 0.03 -2.27 0.09 0.00 0.03 0.00 0.00 46.19 44.07 2htd s LEU 52 CO 0.05 0.20 0.40 -0.70 0.23 0.00 0.00 176.35 176.53 2htd s GLU 53 N 0.02 2.92 -0.20 1.70 2.56 0.17 -4.86 118.70 121.01 2htd s GLU 53 Ca 0.15 -1.45 0.08 0.00 0.00 0.00 0.00 54.97 53.75 2htd s GLU 53 Cb -0.13 -4.12 -0.22 0.00 2.00 0.00 0.00 34.13 31.67 2htd s GLU 53 CO 0.03 -1.09 0.02 1.63 -0.56 0.00 0.00 175.26 175.30 2htd n LYS 54 N 5.17 0.67 0.08 4.30 5.02 -1.26 -1.09 118.16 131.06 2htd n LYS 54 Ca -0.12 0.11 -0.19 0.00 -2.02 0.00 0.00 58.31 56.09 2htd n LYS 54 Cb 0.43 -1.56 -0.15 0.00 -0.02 0.00 0.00 35.03 33.73 2htd n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2htd h THR 55 N 0.01 1.12 -6.00 -0.18 1.03 -1.99 -3.48 112.91 103.42 2htd h THR 55 Ca -0.53 -2.72 -0.39 0.00 -0.01 0.00 0.00 66.41 62.77 2htd h THR 55 Cb 2.06 2.80 0.09 0.00 -1.07 0.00 0.00 68.15 72.03 2htd h THR 55 CO -0.01 0.83 -0.86 0.29 -0.01 0.00 0.00 175.52 175.76 2htd n LYS 56 N -3.53 -3.55 0.00 0.00 5.02 -1.26 -5.00 118.16 109.83 2htd n LYS 56 Ca -0.18 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 2htd n LYS 56 Cb 1.06 -5.04 0.00 0.00 -0.02 0.00 0.00 35.03 31.02 2htd n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2htd n GLY 57 N -1.53 3.08 0.17 0.72 0.00 -1.26 -4.81 105.19 101.55 2htd n GLY 57 Ca -0.21 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 2htd n GLY 57 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2htd h GLU 58 N 0.00 0.51 -0.66 1.61 4.81 -1.99 -1.00 114.58 117.87 2htd h GLU 58 Ca 0.00 -0.11 0.09 0.00 -0.13 0.00 0.00 59.36 59.22 2htd h GLU 58 Cb 0.00 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.23 2htd h GLU 58 CO 0.00 0.54 0.29 0.00 -0.73 0.00 0.00 179.01 179.11 2htd h ALA 59 N 0.95 0.89 -0.22 2.92 0.00 -1.98 0.79 119.26 122.61 2htd h ALA 59 Ca 0.11 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2htd h ALA 59 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2htd h ALA 59 CO -0.00 -0.12 -0.02 -0.92 0.00 0.00 0.00 179.25 178.18 2htd h TYR 60 N 0.50 0.44 -0.79 0.00 3.20 -1.83 -0.50 116.97 118.00 2htd h TYR 60 Ca 0.33 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 62.12 2htd h TYR 60 Cb 0.38 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 2htd h TYR 60 CO -0.14 0.61 0.51 0.93 -1.64 0.00 0.00 178.16 178.43 2htd h GLU 61 N 0.15 1.04 -0.48 1.82 4.39 -0.85 0.13 114.58 120.78 2htd h GLU 61 Ca 0.06 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 2htd h GLU 61 Cb 0.44 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2htd h GLU 61 CO 0.02 0.70 0.01 -0.91 -1.16 0.00 0.00 179.01 177.66 2htd h ASN 62 N 1.07 0.81 -0.58 1.42 2.35 -0.52 -2.04 115.58 118.10 2htd h ASN 62 Ca 0.29 -0.30 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 2htd h ASN 62 Cb -0.11 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.02 2htd h ASN 62 CO -0.06 0.92 0.13 0.40 -1.65 0.00 0.00 177.43 177.16 2htd h ILE 63 N 0.69 1.25 0.00 2.81 2.04 -0.61 -1.06 117.51 122.63 2htd h ILE 63 Ca 0.14 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 2htd h ILE 63 Cb 0.49 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2htd h ILE 63 CO 0.02 0.34 -0.11 0.50 0.00 0.00 0.00 178.15 178.90 2htd h LYS 64 N 0.84 0.00 -0.01 2.37 3.64 -0.61 -0.96 116.57 121.84 2htd h LYS 64 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2htd h LYS 64 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2htd h LYS 64 CO 0.00 0.11 -0.04 -2.13 -2.27 0.00 0.00 179.45 175.13 2htd n ARG 65 N -3.69 1.53 0.00 1.90 0.63 -0.78 -4.93 116.66 111.32 2htd n ARG 65 Ca -0.02 -0.88 0.00 0.00 -0.92 0.00 0.00 57.85 56.03 2htd n ARG 65 Cb 0.23 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.66 2htd n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2htd n GLY 66 N 1.20 0.91 3.72 5.14 0.00 -0.37 -5.07 105.19 110.72 2htd n GLY 66 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2htd n GLY 66 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2htd n SER 67 N 0.00 2.97 -4.81 1.61 2.88 -0.47 -4.99 113.62 110.82 2htd n SER 67 Ca 0.00 1.17 -0.29 0.00 -1.33 0.00 0.00 58.87 58.42 2htd n SER 67 Cb 0.00 -1.53 0.12 0.00 -0.75 0.00 0.00 64.21 62.04 2htd n SER 67 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2htd s LYS 68 N -2.10 1.55 -0.05 -1.46 1.02 -1.26 -4.65 119.74 112.79 2htd s LYS 68 Ca 0.57 0.38 0.03 0.00 0.02 0.00 0.00 55.97 56.97 2htd s LYS 68 Cb -0.52 -1.88 0.01 0.00 -0.52 0.00 0.00 37.83 34.92 2htd s LYS 68 CO 0.61 -1.94 -0.12 0.08 -0.92 0.00 0.00 175.35 173.06 2htd s VAL 69 N -3.27 1.12 -0.07 3.17 1.01 -0.30 -4.39 120.40 117.67 2htd s VAL 69 Ca 0.63 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 2htd s VAL 69 Cb -0.14 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 2htd s VAL 69 CO 0.53 0.35 -0.02 0.00 0.00 0.00 0.00 175.10 175.95 2htd s ALA 70 N 0.48 3.18 0.01 5.51 0.00 -0.32 -0.15 121.76 130.47 2htd s ALA 70 Ca -0.11 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.05 2htd s ALA 70 Cb -0.14 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.59 2htd s ALA 70 CO 0.03 0.59 -0.14 -0.51 0.00 0.00 0.00 175.76 175.73 2htd s LEU 71 N -0.90 2.09 0.02 0.00 2.01 -0.67 -0.26 118.68 120.97 2htd s LEU 71 Ca 0.13 -0.34 0.05 0.00 0.01 0.00 0.00 54.13 53.99 2htd s LEU 71 Cb -0.11 -0.65 -0.02 0.00 0.01 0.00 0.00 46.19 45.42 2htd s LEU 71 CO 0.02 0.11 -0.15 0.54 1.01 0.00 0.00 176.35 177.88 2htd s VAL 72 N -0.55 1.17 -0.12 -1.59 0.11 -0.43 -0.34 120.40 118.66 2htd s VAL 72 Ca 0.04 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 2htd s VAL 72 Cb -0.06 -1.02 0.02 0.00 -1.53 0.00 0.00 36.38 33.79 2htd s VAL 72 CO 0.00 0.18 -0.10 0.00 -3.33 0.00 0.00 175.10 171.85 2htd s ALA 73 N -0.59 1.49 0.00 1.54 0.00 -0.62 -1.83 121.76 121.74 2htd s ALA 73 Ca 0.04 -0.64 0.06 0.00 0.00 0.00 0.00 51.96 51.42 2htd s ALA 73 Cb -0.07 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 2htd s ALA 73 CO 0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 175.76 175.23 2htd s ALA 74 N 1.51 1.62 -0.35 0.00 0.00 -1.26 -1.85 121.76 121.43 2htd s ALA 74 Ca 0.03 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 2htd s ALA 74 Cb -0.13 -0.38 0.07 0.00 0.00 0.00 0.00 23.12 22.67 2htd s ALA 74 CO -0.07 0.39 0.09 0.34 0.00 0.00 0.00 175.76 176.51 2htd s ASP 75 N -0.64 5.12 0.10 0.00 2.15 0.08 -4.82 116.67 118.66 2htd s ASP 75 Ca 0.07 -1.49 -0.17 0.00 0.43 0.00 0.00 52.55 51.39 2htd s ASP 75 Cb -0.08 -1.79 -0.06 0.00 -0.30 0.00 0.00 42.92 40.70 2htd s ASP 75 CO -0.00 -0.37 1.56 1.62 -0.17 0.00 0.00 175.17 177.81 2htd h VAL 76 N 6.36 1.24 -0.58 1.11 3.04 -1.97 0.69 116.25 126.15 2htd h VAL 76 Ca -0.19 -0.85 0.09 0.00 -1.01 0.00 0.00 66.70 64.74 2htd h VAL 76 Cb 1.06 1.21 -0.03 0.00 -2.01 0.00 0.00 31.29 31.52 2htd h VAL 76 CO 0.61 0.28 0.39 -0.65 -1.01 0.00 0.00 177.57 177.18 2htd h PRO 77 N 0.33 0.38 0.00 4.17 0.11 -1.96 -1.66 132.00 133.37 2htd h PRO 77 Ca 0.09 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2htd h PRO 77 Cb 0.38 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.40 2htd h PRO 77 CO 0.01 0.25 -1.03 -1.13 -0.21 0.00 0.00 178.00 175.90 2htd n SER 78 N -4.47 0.82 -4.01 -2.05 3.41 -1.15 -4.99 113.62 101.18 2htd n SER 78 Ca 0.09 -0.76 -0.30 0.00 -0.26 0.00 0.00 58.87 57.64 2htd n SER 78 Cb 0.36 0.98 -0.01 0.00 -0.26 0.00 0.00 64.21 65.28 2htd n SER 78 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2htd n HIS 79 N -1.60 -1.88 -4.13 7.33 8.25 0.21 -5.00 115.22 118.39 2htd n HIS 79 Ca 0.03 0.82 -0.27 0.00 -0.26 0.00 0.00 57.72 58.04 2htd n HIS 79 Cb 0.36 -3.60 -0.06 0.00 1.12 0.00 0.00 29.99 27.80 2htd n HIS 79 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2htd s THR 80 N -3.53 4.15 0.10 1.59 -4.23 -1.04 -4.62 115.64 108.07 2htd s THR 80 Ca 0.43 -1.22 -0.25 0.00 -1.18 0.00 0.00 61.69 59.47 2htd s THR 80 Cb -0.22 -3.10 0.08 0.00 1.34 0.00 0.00 72.50 70.59 2htd s THR 80 CO 0.88 -0.10 0.75 0.00 -0.54 0.00 0.00 174.62 175.61 2htd s ALA 81 N -1.73 -1.66 -0.00 3.99 0.00 -1.26 -0.74 121.76 120.35 2htd s ALA 81 Ca 0.29 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 52.84 2htd s ALA 81 Cb -0.10 0.68 -0.00 0.00 0.00 0.00 0.00 23.12 23.70 2htd s ALA 81 CO 0.21 -0.77 0.06 0.54 0.00 0.00 0.00 175.76 175.80 2htd s VAL 82 N -3.48 0.06 0.06 0.00 0.11 -0.77 -4.76 120.40 111.62 2htd s VAL 82 Ca 0.04 -0.47 0.06 0.00 -2.93 0.00 0.00 61.98 58.68 2htd s VAL 82 Cb -0.01 -0.24 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 2htd s VAL 82 CO -0.09 -0.26 -0.16 -0.60 -3.33 0.00 0.00 175.10 170.66 2htd s ARG 83 N -0.81 0.95 0.17 1.54 3.52 -0.51 -1.60 118.95 122.21 2htd s ARG 83 Ca -0.09 -0.92 0.07 0.00 -0.13 0.00 0.00 55.73 54.67 2htd s ARG 83 Cb -0.05 -1.01 -0.04 0.00 -1.56 0.00 0.00 34.95 32.29 2htd s ARG 83 CO 0.00 0.24 -0.15 0.14 -0.81 0.00 0.00 175.30 174.72 2htd s VAL 84 N -1.07 1.62 -0.13 7.11 -7.23 0.54 -0.88 120.40 120.36 2htd s VAL 84 Ca 0.01 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.20 2htd s VAL 84 Cb -0.09 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 2htd s VAL 84 CO 0.02 -0.46 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.04 2htd s LEU 85 N -2.85 2.96 0.04 1.32 2.96 -0.39 -1.68 118.68 121.04 2htd s LEU 85 Ca 0.16 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 2htd s LEU 85 Cb -0.03 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2htd s LEU 85 CO 0.05 0.19 -0.02 0.00 -1.32 0.00 0.00 176.35 175.25 2htd s ALA 86 N 0.19 0.39 0.00 5.97 0.00 0.79 -0.30 121.76 128.80 2htd s ALA 86 Ca -0.05 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 2htd s ALA 86 Cb -0.15 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2htd s ALA 86 CO 0.04 -0.32 0.14 0.95 0.00 0.00 0.00 175.76 176.58 2htd s THR 87 N -3.26 5.14 -0.07 0.00 -4.23 -0.54 -1.15 115.64 111.54 2htd s THR 87 Ca 0.01 -0.30 -0.05 0.00 -1.18 0.00 0.00 61.69 60.17 2htd s THR 87 Cb 0.03 -3.40 -0.04 0.00 1.34 0.00 0.00 72.50 70.43 2htd s THR 87 CO -0.08 0.31 0.15 0.00 -0.54 0.00 0.00 174.62 174.46 2htd s ALA 88 N -1.30 3.87 -0.23 3.99 0.00 -1.26 -0.72 121.76 126.11 2htd s ALA 88 Ca 0.26 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2htd s ALA 88 Cb -0.12 -1.90 0.06 0.00 0.00 0.00 0.00 23.12 21.16 2htd s ALA 88 CO 0.18 0.67 -0.03 -2.00 0.00 0.00 0.00 175.76 174.58 2htd s GLU 89 N -1.40 1.44 -0.17 0.00 2.12 0.40 -4.99 118.70 116.10 2htd s GLU 89 Ca 0.20 -0.93 -0.09 0.00 0.36 0.00 0.00 54.97 54.52 2htd s GLU 89 Cb -0.12 -2.51 -0.05 0.00 0.26 0.00 0.00 34.13 31.71 2htd s GLU 89 CO 0.10 -0.63 0.12 0.08 -0.54 0.00 0.00 175.26 174.39 2htd s VAL 90 N 1.46 5.32 -0.25 3.70 1.01 -1.26 -0.88 120.40 129.50 2htd s VAL 90 Ca -0.04 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.12 2htd s VAL 90 Cb -0.19 -3.39 0.06 0.00 0.00 0.00 0.00 36.38 32.86 2htd s VAL 90 CO -0.07 0.50 -0.11 -1.00 0.00 0.00 0.00 175.10 174.42 2htd s HIS 91 N -0.09 3.10 -0.15 5.22 3.76 0.53 -5.01 115.29 122.66 2htd s HIS 91 Ca 0.10 -2.20 -0.10 0.00 -0.15 0.00 0.00 55.06 52.71 2htd s HIS 91 Cb -0.11 -1.87 -0.04 0.00 1.11 0.00 0.00 32.58 31.66 2htd s HIS 91 CO 0.00 -0.86 -0.14 0.93 -0.85 0.00 0.00 174.74 173.83 2htd h GLU 92 N 7.81 0.00 -0.18 1.40 5.08 -1.92 -0.88 114.58 125.89 2htd h GLU 92 Ca -0.20 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.96 2htd h GLU 92 Cb 1.05 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.00 2htd h GLU 92 CO 0.46 0.09 -0.77 -3.47 -1.00 0.00 0.00 179.01 174.32 2htd n ASP 93 N -4.60 0.31 -4.42 1.42 2.03 -1.26 -4.69 116.55 105.33 2htd n ASP 93 Ca -0.09 -2.07 -0.27 0.00 0.52 0.00 0.00 54.79 52.88 2htd n ASP 93 Cb 0.30 -0.03 0.14 0.00 -0.72 0.00 0.00 41.12 40.81 2htd n ASP 93 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2htd s ASP 94 N -2.37 3.76 0.39 1.67 1.47 -1.26 -4.85 116.67 115.47 2htd s ASP 94 Ca 0.20 -0.03 0.13 0.00 1.18 0.00 0.00 52.55 54.03 2htd s ASP 94 Cb 0.33 -0.19 0.78 0.00 -0.34 0.00 0.00 42.92 43.50 2htd s ASP 94 CO -0.08 -2.28 1.87 0.44 0.68 0.00 0.00 175.17 175.80 2htd h ASP 95 N -1.07 0.02 -0.16 2.11 3.32 -1.99 -1.64 116.42 117.01 2htd h ASP 95 Ca -0.40 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.63 2htd h ASP 95 Cb 1.25 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 2htd h ASP 95 CO 0.40 0.33 0.06 0.22 -1.72 0.00 0.00 179.24 178.53 2htd h TYR 96 N 0.02 0.25 -0.44 4.55 3.20 -1.99 -1.33 116.97 121.23 2htd h TYR 96 Ca 0.00 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.90 2htd h TYR 96 Cb 0.56 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 2htd h TYR 96 CO 0.00 0.34 0.16 0.00 -1.64 0.00 0.00 178.16 177.02 2htd h ALA 97 N 0.89 0.53 -0.97 1.82 0.00 -1.79 -0.93 119.26 118.81 2htd h ALA 97 Ca 0.05 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2htd h ALA 97 Cb 0.20 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2htd h ALA 97 CO -0.00 -0.22 0.64 0.87 0.00 0.00 0.00 179.25 180.53 2htd h LYS 98 N 0.34 1.21 -0.18 0.00 1.57 -1.11 0.18 116.57 118.58 2htd h LYS 98 Ca 0.21 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2htd h LYS 98 Cb 0.20 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2htd h LYS 98 CO -0.21 0.80 0.03 -0.22 -0.57 0.00 0.00 179.45 179.29 2htd h LYS 99 N 1.25 0.29 -0.36 3.15 3.64 -0.71 -1.83 116.57 122.01 2htd h LYS 99 Ca 0.38 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 2htd h LYS 99 Cb -0.04 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2htd h LYS 99 CO -0.11 0.46 0.15 0.28 -2.27 0.00 0.00 179.45 177.96 2htd h VAL 100 N 0.08 1.18 0.00 2.00 2.07 -0.90 -3.07 116.25 117.61 2htd h VAL 100 Ca 0.05 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2htd h VAL 100 Cb 0.30 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2htd h VAL 100 CO 0.00 0.20 0.00 -0.07 0.02 0.00 0.00 177.57 177.72 2htd h LEU 101 N 0.43 0.00 -2.19 2.57 3.38 -0.63 -2.63 115.31 116.25 2htd h LEU 101 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2htd h LEU 101 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2htd h LEU 101 CO -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.47 2htd h ALA 102 N 2.06 1.15 -0.08 1.53 0.00 -1.23 -0.50 119.26 122.19 2htd h ALA 102 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2htd h ALA 102 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2htd h ALA 102 CO 0.00 0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.94 2htd n LYS 103 N -3.36 1.47 -4.60 0.00 5.02 -0.99 -4.91 118.16 110.79 2htd n LYS 103 Ca -0.02 -0.70 -0.28 0.00 -2.02 0.00 0.00 58.31 55.30 2htd n LYS 103 Cb 0.19 -1.40 -0.08 0.00 -0.02 0.00 0.00 35.03 33.72 2htd n LYS 103 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2htd s THR 104 N -1.90 0.95 -0.28 -0.18 -4.23 -0.20 -5.05 115.64 104.75 2htd s THR 104 Ca 0.34 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.97 2htd s THR 104 Cb 0.17 -2.39 0.70 0.00 1.34 0.00 0.00 72.50 72.33 2htd s THR 104 CO 0.27 0.00 1.69 -0.62 -0.54 0.00 0.00 174.62 175.43 2htd n GLU 105 N -1.01 3.62 -3.21 3.99 -0.58 -1.26 -4.72 120.64 117.47 2htd n GLU 105 Ca -0.10 -3.07 -0.24 0.00 -0.42 0.00 0.00 57.16 53.33 2htd n GLU 105 Cb 0.66 -2.12 -0.06 0.00 -0.57 0.00 0.00 31.44 29.35 2htd n GLU 105 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2htd n PHE 106 N -0.18 1.68 0.32 -0.32 3.72 -1.26 -4.94 117.46 116.47 2htd n PHE 106 Ca 0.34 -3.86 0.20 0.00 -0.05 0.00 0.00 57.45 54.08 2htd n PHE 106 Cb 1.23 -0.45 1.04 0.00 -0.94 0.00 0.00 39.48 40.36 2htd n PHE 106 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2htd h PRO 107 N 3.64 0.00 -0.05 -1.08 0.13 -1.84 -1.46 132.00 131.33 2htd h PRO 107 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2htd h PRO 107 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2htd h PRO 107 CO 0.64 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.51 2htd n ASN 108 N -3.21 2.70 -4.73 1.44 3.02 -1.26 -4.95 115.26 108.26 2htd n ASN 108 Ca -0.02 -1.89 -0.31 0.00 -0.03 0.00 0.00 54.58 52.33 2htd n ASN 108 Cb 0.14 -0.02 0.12 0.00 -0.61 0.00 0.00 39.78 39.41 2htd n ASN 108 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2htd s ALA 109 N -1.96 1.91 0.13 5.41 0.00 -0.55 -5.01 121.76 121.69 2htd s ALA 109 Ca 0.31 0.33 -0.08 0.00 0.00 0.00 0.00 51.96 52.52 2htd s ALA 109 Cb 0.20 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 2htd s ALA 109 CO 0.31 -2.15 0.41 -0.06 0.00 0.00 0.00 175.76 174.27 2htd s PHE 110 N -2.82 3.51 -0.28 0.00 0.08 -0.25 -4.91 117.98 113.32 2htd s PHE 110 Ca 0.63 0.70 -0.10 0.00 0.12 0.00 0.00 56.93 58.28 2htd s PHE 110 Cb -0.19 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 2htd s PHE 110 CO 0.57 0.45 0.16 0.08 -0.10 0.00 0.00 175.22 176.37 2htd s VAL 111 N -1.57 5.01 -0.25 -0.44 1.01 -0.34 0.44 120.40 124.27 2htd s VAL 111 Ca 0.38 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 2htd s VAL 111 Cb -0.13 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2htd s VAL 111 CO 0.21 0.25 0.03 -0.69 0.00 0.00 0.00 175.10 174.90 2htd s VAL 112 N 1.71 3.92 0.06 2.92 1.01 -0.19 -0.35 120.40 129.49 2htd s VAL 112 Ca 0.07 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 2htd s VAL 112 Cb -0.16 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 2htd s VAL 112 CO 0.09 0.33 0.33 0.20 0.00 0.00 0.00 175.10 176.05 2htd s ASN 113 N 1.55 6.53 -0.12 3.32 -0.87 -0.06 -1.26 114.94 124.03 2htd s ASN 113 Ca 0.06 0.62 0.00 0.00 -1.57 0.00 0.00 52.86 51.97 2htd s ASN 113 Cb -0.15 -2.11 0.02 0.00 -0.02 0.00 0.00 41.25 38.99 2htd s ASN 113 CO 0.01 0.18 -0.11 -0.76 -2.57 0.00 0.00 177.10 173.85 2htd s LEU 114 N -2.04 1.46 -0.41 0.60 1.43 0.29 -0.45 118.68 119.56 2htd s LEU 114 Ca 0.33 -0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 52.89 2htd s LEU 114 Cb -0.13 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.13 2htd s LEU 114 CO 0.19 -0.06 0.35 0.20 0.23 0.00 0.00 176.35 177.25 2htd s ASN 115 N 1.43 6.14 0.09 2.29 0.01 0.10 -1.33 114.94 123.67 2htd s ASN 115 Ca 0.01 -0.80 -0.31 0.00 -0.71 0.00 0.00 52.86 51.05 2htd s ASN 115 Cb -0.13 -2.18 -0.08 0.00 0.41 0.00 0.00 41.25 39.27 2htd s ASN 115 CO -0.07 -0.49 1.54 -0.63 -1.51 0.00 0.00 177.10 175.94 2htd s ILE 116 N 1.84 3.13 -0.24 0.60 1.01 -0.26 -1.47 121.20 125.81 2htd s ILE 116 Ca 0.08 0.68 0.02 0.00 0.00 0.00 0.00 60.65 61.43 2htd s ILE 116 Cb -0.18 -3.44 -0.19 0.00 0.01 0.00 0.00 42.46 38.66 2htd s ILE 116 CO 0.11 0.02 -0.13 -0.62 0.00 0.00 0.00 174.94 174.32 2htd n GLU 117 N 4.88 0.67 -3.76 2.79 1.02 0.58 -4.82 120.64 122.00 2htd n GLU 117 Ca 0.14 0.15 -0.13 0.00 -0.02 0.00 0.00 57.16 57.30 2htd n GLU 117 Cb 0.41 -1.54 -0.09 0.00 -0.02 0.00 0.00 31.44 30.20 2htd n GLU 117 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2htd s GLU 118 N -2.52 0.63 -0.01 3.49 2.56 -1.02 -4.39 118.70 117.45 2htd s GLU 118 Ca -0.31 -0.09 0.06 0.00 0.00 0.00 0.00 54.97 54.63 2htd s GLU 118 Cb 0.08 0.28 -0.03 0.00 2.00 0.00 0.00 34.13 36.47 2htd s GLU 118 CO 0.64 -0.17 -0.20 0.08 -0.56 0.00 0.00 175.26 175.06 2htd s VAL 119 N -1.11 2.60 -0.02 3.70 1.01 -0.88 -1.26 120.40 124.44 2htd s VAL 119 Ca -0.12 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 60.87 2htd s VAL 119 Cb -0.05 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 2htd s VAL 119 CO 0.04 0.49 -0.15 -0.36 0.00 0.00 0.00 175.10 175.12 2htd s PHE 120 N -0.76 1.37 0.00 5.22 0.40 -0.05 -0.84 117.98 123.32 2htd s PHE 120 Ca 0.12 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 2htd s PHE 120 Cb -0.10 -0.91 0.00 0.00 0.51 0.00 0.00 43.02 42.52 2htd s PHE 120 CO 0.02 -0.07 0.00 0.00 0.70 0.00 0.00 175.22 175.87