#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qtd s ASN 3 N 0.00 3.34 -0.05 7.28 2.47 -1.26 -2.42 114.94 124.29 2qtd s ASN 3 Ca 0.00 -0.87 0.01 0.00 0.42 0.00 0.00 52.86 52.42 2qtd s ASN 3 Cb 0.00 -1.17 0.02 0.00 -1.45 0.00 0.00 41.25 38.65 2qtd s ASN 3 CO 0.00 -0.16 -0.05 -0.75 -3.72 0.00 0.00 177.10 172.42 2qtd s LYS 5 N 1.44 0.90 -0.08 0.43 2.20 -1.26 -5.00 119.74 118.36 2qtd s LYS 5 Ca -0.01 -0.11 0.03 0.00 -0.36 0.00 0.00 55.97 55.51 2qtd s LYS 5 Cb -0.16 -0.92 0.01 0.00 -1.51 0.00 0.00 37.83 35.25 2qtd s LYS 5 CO -0.08 -0.10 -0.16 0.08 -0.36 0.00 0.00 175.35 174.73 2qtd s VAL 6 N 1.02 1.45 -0.18 4.02 1.01 0.38 -0.30 120.40 127.80 2qtd s VAL 6 Ca -0.09 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 2qtd s VAL 6 Cb -0.14 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 2qtd s VAL 6 CO -0.00 0.43 0.25 0.00 0.00 0.00 0.00 175.10 175.78 2qtd s ALA 7 N 0.61 3.61 -0.12 5.51 0.00 -0.27 -0.65 121.76 130.46 2qtd s ALA 7 Ca -0.15 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.28 2qtd s ALA 7 Cb -0.16 -2.36 -0.00 0.00 0.00 0.00 0.00 23.12 20.59 2qtd s ALA 7 CO 0.05 0.04 -0.19 0.42 0.00 0.00 0.00 175.76 176.08 2qtd s ILE 8 N 0.58 2.45 0.54 0.00 1.01 0.03 -0.64 121.20 125.17 2qtd s ILE 8 Ca 0.14 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.76 2qtd s ILE 8 Cb -0.13 -1.98 -0.07 0.00 0.01 0.00 0.00 42.46 40.29 2qtd s ILE 8 CO 0.03 0.54 1.00 -0.94 0.00 0.00 0.00 174.94 175.57 2qtd s SER 9 N 0.39 6.52 0.31 3.58 1.04 -0.95 -0.77 113.70 123.83 2qtd s SER 9 Ca -0.15 1.53 0.03 0.00 0.48 0.00 0.00 55.95 57.84 2qtd s SER 9 Cb -0.17 -2.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 2qtd s SER 9 CO 0.07 -0.66 0.13 -1.81 0.98 0.00 0.00 173.24 171.95 2qtd s ASP 11 N -3.35 1.72 0.41 7.02 1.01 0.93 -1.81 116.67 122.60 2qtd s ASP 11 Ca 0.58 -1.52 0.10 0.00 0.71 0.00 0.00 52.55 52.42 2qtd s ASP 11 Cb -0.10 0.31 0.87 0.00 1.01 0.00 0.00 42.92 45.01 2qtd s ASP 11 CO 0.37 -0.83 1.99 -0.37 0.21 0.00 0.00 175.17 176.53 2qtd h VAL 12 N 2.18 1.13 -0.01 -1.27 -1.51 -1.98 -3.21 116.25 111.59 2qtd h VAL 12 Ca -0.35 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 2qtd h VAL 12 Cb 1.25 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 2qtd h VAL 12 CO 0.56 0.17 -0.40 -0.90 -1.23 0.00 0.00 177.57 175.77 2qtd n ASP 13 N -4.37 1.19 -3.61 4.19 5.75 -1.26 -5.06 116.55 113.38 2qtd n ASP 13 Ca -0.00 -1.10 -0.01 0.00 -0.01 0.00 0.00 54.79 53.67 2qtd n ASP 13 Cb 0.19 0.64 -0.01 0.00 -1.03 0.00 0.00 41.12 40.91 2qtd n ASP 13 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2qtd s LYS 14 N -1.88 0.38 0.29 0.11 -2.85 -1.21 -5.01 119.74 109.58 2qtd s LYS 14 Ca 0.09 -0.19 -0.30 0.00 -1.00 0.00 0.00 55.97 54.58 2qtd s LYS 14 Cb 0.11 0.15 -0.12 0.00 -2.06 0.00 0.00 37.83 35.91 2qtd s LYS 14 CO 0.41 -0.17 1.61 -0.89 0.10 0.00 0.00 175.35 176.40 2qtd n ILE 15 N -0.33 1.02 -1.63 3.79 5.41 -0.49 -0.05 119.36 127.08 2qtd n ILE 15 Ca -0.05 -0.25 -0.29 0.00 1.00 0.00 0.00 62.75 63.16 2qtd n ILE 15 Cb 0.61 -1.98 0.11 0.00 -0.71 0.00 0.00 39.64 37.67 2qtd n ILE 15 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2qtd s SER 16 N 0.51 4.09 0.35 4.38 1.04 -0.75 -4.67 113.70 118.65 2qtd s SER 16 Ca 0.64 1.03 0.10 0.00 0.48 0.00 0.00 55.95 58.21 2qtd s SER 16 Cb -0.49 -1.65 0.65 0.00 0.10 0.00 0.00 66.02 64.63 2qtd s SER 16 CO 0.48 -2.19 1.80 0.78 0.98 0.00 0.00 173.24 175.09 2qtd h ASN 17 N -1.25 0.10 -5.20 7.02 2.35 -1.93 -3.39 115.58 113.28 2qtd h ASN 17 Ca -0.48 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.15 2qtd h ASN 17 Cb 1.31 -0.03 -0.13 0.00 0.05 0.00 0.00 38.32 39.53 2qtd h ASN 17 CO 0.62 0.45 -0.26 -0.94 -1.65 0.00 0.00 177.43 175.65 2qtd s SER 18 N -6.91 -0.01 0.36 5.81 1.04 -1.26 -3.27 113.70 109.46 2qtd s SER 18 Ca -0.04 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 55.72 2qtd s SER 18 Cb 0.14 0.44 0.71 0.00 0.10 0.00 0.00 66.02 67.41 2qtd s SER 18 CO 0.74 -0.88 1.99 0.15 0.98 0.00 0.00 173.24 176.22 2qtd h PHE 19 N 2.53 0.75 0.13 5.02 3.57 -1.30 -3.01 116.94 124.62 2qtd h PHE 19 Ca -0.32 0.02 -0.28 0.00 3.53 0.00 0.00 57.97 60.92 2qtd h PHE 19 Cb 1.23 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 39.73 2qtd h PHE 19 CO 0.39 0.44 -1.23 0.93 -2.23 0.00 0.00 178.31 176.61 2qtd h GLU 20 N 0.78 0.34 -0.01 1.11 3.07 -1.96 -3.34 114.58 114.58 2qtd h GLU 20 Ca 0.27 -0.54 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 2qtd h GLU 20 Cb 0.09 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2qtd h GLU 20 CO -0.07 1.24 -0.29 -0.40 -1.40 0.00 0.00 179.01 178.08 2qtd n ASP 21 N -3.60 0.85 -4.71 1.42 5.75 -1.18 -4.97 116.55 110.11 2qtd n ASP 21 Ca -0.09 -0.71 -0.34 0.00 -0.01 0.00 0.00 54.79 53.63 2qtd n ASP 21 Cb 1.00 0.13 0.11 0.00 -1.03 0.00 0.00 41.12 41.34 2qtd n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qtd h LYS 23 N -0.57 0.71 -3.34 0.00 1.63 -1.93 -3.42 116.57 109.66 2qtd h LYS 23 Ca -0.47 -0.55 -0.04 0.00 -0.85 0.00 0.00 60.65 58.74 2qtd h LYS 23 Cb 1.30 0.10 -0.12 0.00 -0.60 0.00 0.00 32.23 32.91 2qtd h LYS 23 CO 0.48 1.16 -0.03 1.52 -3.45 0.00 0.00 179.45 179.14 2qtd s TYR 24 N -3.82 -0.22 -0.25 1.91 1.13 -1.26 -1.54 117.35 113.30 2qtd s TYR 24 Ca -0.11 -0.09 -0.12 0.00 -1.41 0.00 0.00 57.07 55.34 2qtd s TYR 24 Cb 0.08 0.31 -0.05 0.00 -1.10 0.00 0.00 41.96 41.20 2qtd s TYR 24 CO 0.87 -0.76 0.23 -0.06 -2.51 0.00 0.00 175.55 173.33 2qtd s PHE 25 N -3.81 3.29 -0.30 -3.49 0.08 0.24 -4.60 117.98 109.39 2qtd s PHE 25 Ca 0.04 0.28 -0.23 0.00 0.12 0.00 0.00 56.93 57.13 2qtd s PHE 25 Cb 0.01 -2.37 -0.00 0.00 -0.57 0.00 0.00 43.02 40.09 2qtd s PHE 25 CO -0.10 -0.04 0.79 -1.17 -0.10 0.00 0.00 175.22 174.59 2qtd s LEU 26 N 1.41 4.08 -0.36 -0.37 2.96 0.05 -1.00 118.68 125.45 2qtd s LEU 26 Ca 0.10 0.72 -0.15 0.00 -0.22 0.00 0.00 54.13 54.58 2qtd s LEU 26 Cb -0.15 -3.08 -0.01 0.00 0.50 0.00 0.00 46.19 43.45 2qtd s LEU 26 CO 0.07 -0.59 0.34 -0.63 -1.32 0.00 0.00 176.35 174.22 2qtd s ILE 27 N 2.93 5.20 -0.18 6.68 -1.09 0.37 -0.79 121.20 134.31 2qtd s ILE 27 Ca 0.32 -0.12 -0.04 0.00 -2.23 0.00 0.00 60.65 58.58 2qtd s ILE 27 Cb -0.14 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 2qtd s ILE 27 CO 0.12 -0.13 -0.01 -0.69 -1.23 0.00 0.00 174.94 172.99 2qtd s VAL 28 N 1.93 3.94 -0.25 2.92 1.01 0.18 -1.63 120.40 128.51 2qtd s VAL 28 Ca 0.10 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 2qtd s VAL 28 Cb -0.17 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 2qtd s VAL 28 CO 0.11 0.46 0.22 -0.60 0.00 0.00 0.00 175.10 175.29 2qtd s ARG 29 N 0.71 4.05 -0.13 2.72 6.06 -0.70 -0.47 118.95 131.19 2qtd s ARG 29 Ca -0.01 -0.19 -0.01 0.00 -2.50 0.00 0.00 55.73 53.02 2qtd s ARG 29 Cb -0.14 -3.58 -0.02 0.00 0.06 0.00 0.00 34.95 31.27 2qtd s ARG 29 CO 0.02 -0.04 -0.11 0.42 -2.50 0.00 0.00 175.30 173.09 2qtd s ILE 30 N 1.36 3.28 -0.06 4.11 1.01 -1.26 0.14 121.20 129.77 2qtd s ILE 30 Ca 0.10 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 60.11 2qtd s ILE 30 Cb -0.14 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 39.95 2qtd s ILE 30 CO 0.07 0.52 0.17 -0.62 0.00 0.00 0.00 174.94 175.08 2qtd s ASP 31 N 0.30 -0.18 -1.52 3.58 -1.08 0.19 -4.16 116.67 113.81 2qtd s ASP 31 Ca -0.08 0.34 -0.03 0.00 -0.52 0.00 0.00 52.55 52.26 2qtd s ASP 31 Cb -0.15 0.34 0.00 0.00 -1.46 0.00 0.00 42.92 41.65 2qtd s ASP 31 CO 0.05 -0.07 0.06 0.47 0.52 0.00 0.00 175.17 176.20 2qtd n ASP 32 N 3.09 0.55 -1.95 -0.34 8.00 -1.10 -0.05 116.55 124.75 2qtd n ASP 32 Ca -0.14 -1.28 -0.17 0.00 0.71 0.00 0.00 54.79 53.91 2qtd n ASP 32 Cb 0.58 -1.60 -0.04 0.00 -0.02 0.00 0.00 41.12 40.05 2qtd n ASP 32 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2qtd n ASN 33 N -2.83 -4.76 -4.11 -2.24 3.02 -1.02 -4.94 115.26 98.39 2qtd n ASN 33 Ca -0.31 0.25 -0.20 0.00 -0.03 0.00 0.00 54.58 54.29 2qtd n ASN 33 Cb 0.69 -4.14 -0.14 0.00 -0.61 0.00 0.00 39.78 35.58 2qtd n ASN 33 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2qtd s GLU 34 N -4.23 0.97 -0.01 3.52 2.12 0.92 -5.04 118.70 116.95 2qtd s GLU 34 Ca 0.00 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.45 2qtd s GLU 34 Cb 0.00 -0.95 -0.07 0.00 0.26 0.00 0.00 34.13 33.38 2qtd s GLU 34 CO 0.00 0.25 1.69 0.08 -0.54 0.00 0.00 175.26 176.74 2qtd s VAL 35 N -0.55 3.38 -0.19 3.70 1.01 -1.26 0.55 120.40 127.04 2qtd s VAL 35 Ca 0.03 0.57 0.13 0.00 0.00 0.00 0.00 61.98 62.71 2qtd s VAL 35 Cb -0.06 -3.37 -0.21 0.00 0.00 0.00 0.00 36.38 32.74 2qtd s VAL 35 CO 0.00 -0.04 0.01 0.29 0.00 0.00 0.00 175.10 175.37 2qtd n LYS 36 N 6.77 0.98 -3.68 2.72 4.76 0.12 -4.92 118.16 124.91 2qtd n LYS 36 Ca 0.17 0.02 -0.09 0.00 -2.87 0.00 0.00 58.31 55.54 2qtd n LYS 36 Cb 0.42 -1.46 -0.02 0.00 -1.84 0.00 0.00 35.03 32.13 2qtd n LYS 36 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2qtd s SER 37 N -5.39 -0.37 0.04 4.39 1.04 -1.20 -5.00 113.70 107.20 2qtd s SER 37 Ca -0.13 -0.37 -0.02 0.00 0.48 0.00 0.00 55.95 55.91 2qtd s SER 37 Cb 0.06 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 66.81 2qtd s SER 37 CO 0.70 -1.17 0.01 0.42 0.98 0.00 0.00 173.24 174.18 2qtd s THR 38 N -3.85 0.16 -0.20 2.02 -4.23 -1.26 -1.72 115.64 106.56 2qtd s THR 38 Ca 0.07 -1.28 -0.18 0.00 -1.18 0.00 0.00 61.69 59.12 2qtd s THR 38 Cb -0.03 -0.90 0.05 0.00 1.34 0.00 0.00 72.50 72.96 2qtd s THR 38 CO -0.02 -0.71 0.52 -0.75 -0.54 0.00 0.00 174.62 173.12 2qtd s LYS 39 N -2.68 0.60 -0.18 3.99 2.20 -0.65 -4.97 119.74 118.05 2qtd s LYS 39 Ca -0.04 0.74 -0.14 0.00 -0.36 0.00 0.00 55.97 56.16 2qtd s LYS 39 Cb -0.01 0.28 -0.04 0.00 -1.51 0.00 0.00 37.83 36.54 2qtd s LYS 39 CO -0.05 -0.08 0.31 0.08 -0.36 0.00 0.00 175.35 175.25 2qtd s VAL 40 N 0.37 5.28 -0.24 4.02 1.01 -1.26 -0.48 120.40 129.10 2qtd s VAL 40 Ca -0.01 0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.56 2qtd s VAL 40 Cb -0.04 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.73 2qtd s VAL 40 CO -0.01 0.34 -0.13 -0.63 0.00 0.00 0.00 175.10 174.68 2qtd s ILE 41 N 0.79 2.22 0.38 2.22 1.01 -0.17 -5.00 121.20 122.65 2qtd s ILE 41 Ca 0.17 -1.39 -0.27 0.00 0.00 0.00 0.00 60.65 59.15 2qtd s ILE 41 Cb -0.14 -2.19 -0.10 0.00 0.01 0.00 0.00 42.46 40.05 2qtd s ILE 41 CO 0.05 0.14 1.34 -0.36 0.00 0.00 0.00 174.94 176.11 2qtd s PHE 42 N 1.17 2.83 -1.48 3.97 0.08 -1.26 -0.59 117.98 122.71 2qtd s PHE 42 Ca -0.04 1.37 -0.11 0.00 0.12 0.00 0.00 56.93 58.26 2qtd s PHE 42 Cb -0.18 -3.74 0.02 0.00 -0.57 0.00 0.00 43.02 38.55 2qtd s PHE 42 CO -0.07 -2.20 2.46 -1.71 -0.10 0.00 0.00 175.22 173.60 2qtd n ASN 43 N 0.38 6.33 -3.56 1.36 5.15 -0.59 -3.79 115.26 120.53 2qtd n ASN 43 Ca 0.02 -2.82 -0.17 0.00 -0.60 0.00 0.00 54.58 51.01 2qtd n ASN 43 Cb 0.42 -1.56 -0.02 0.00 -0.53 0.00 0.00 39.78 38.09 2qtd n ASN 43 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2qtd n ASP 44 N 4.32 2.40 -0.27 1.20 5.68 -1.26 -4.92 116.55 123.69 2qtd n ASP 44 Ca 0.61 -2.17 0.03 0.00 -0.50 0.00 0.00 54.79 52.77 2qtd n ASP 44 Cb 0.31 0.09 0.17 0.00 -1.14 0.00 0.00 41.12 40.55 2qtd n ASP 44 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2qtd h GLU 45 N 0.00 0.65 -0.27 0.11 -0.00 -2.01 -1.11 114.58 111.94 2qtd h GLU 45 Ca -0.22 -0.04 -0.16 0.00 -0.00 0.00 0.00 59.36 58.94 2qtd h GLU 45 Cb 0.72 -0.15 -0.00 0.00 -0.00 0.00 0.00 28.75 29.33 2qtd h GLU 45 CO 0.35 0.43 -0.45 1.03 -0.00 0.00 0.00 179.01 180.37 2qtd h SER 46 N 0.67 0.87 -0.33 3.06 0.87 -1.96 -3.14 113.55 113.59 2qtd h SER 46 Ca 0.40 -0.52 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 2qtd h SER 46 Cb 0.45 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 2qtd h SER 46 CO -0.29 1.22 0.14 1.23 -0.53 0.00 0.00 176.83 178.60 2qtd h GLY 47 N 0.54 0.58 1.32 5.77 0.00 -1.53 -0.23 103.07 109.52 2qtd h GLY 47 Ca 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2qtd h GLY 47 CO 0.10 0.27 0.33 0.50 0.00 0.00 0.00 176.54 177.73 2qtd h LYS 48 N 0.54 0.89 -0.22 4.80 1.57 -1.17 -0.62 116.57 122.37 2qtd h LYS 48 Ca 0.13 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 2qtd h LYS 48 Cb 0.14 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2qtd h LYS 48 CO -0.01 0.68 -0.37 0.87 -0.57 0.00 0.00 179.45 180.05 2qtd h LYS 49 N 0.90 0.63 -0.61 3.15 1.57 -1.37 -3.34 116.57 117.51 2qtd h LYS 49 Ca 0.22 -0.39 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 2qtd h LYS 49 Cb 0.06 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2qtd h LYS 49 CO -0.03 1.00 0.20 1.03 -0.57 0.00 0.00 179.45 181.08 2qtd h SER 50 N 0.33 0.84 -0.48 0.86 0.87 -0.67 -2.43 113.55 112.87 2qtd h SER 50 Ca 0.02 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.41 2qtd h SER 50 Cb 0.96 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.67 2qtd h SER 50 CO 0.08 0.78 0.20 -0.29 -0.53 0.00 0.00 176.83 177.08 2qtd h ILE 51 N 0.89 1.20 -0.55 2.23 6.09 -1.24 -1.90 117.51 124.23 2qtd h ILE 51 Ca 0.20 -0.63 -0.08 0.00 -1.37 0.00 0.00 64.86 62.98 2qtd h ILE 51 Cb 0.24 0.58 -0.02 0.00 0.47 0.00 0.00 36.82 38.09 2qtd h ILE 51 CO -0.01 0.25 0.05 0.58 -3.07 0.00 0.00 178.15 175.94 2qtd h VAL 52 N 0.76 1.26 0.00 2.19 2.07 -1.56 -3.04 116.25 117.92 2qtd h VAL 52 Ca 0.18 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 2qtd h VAL 52 Cb 0.17 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2qtd h VAL 52 CO -0.02 0.37 -0.12 0.11 0.02 0.00 0.00 177.57 177.93 2qtd h LYS 53 N 0.82 0.00 0.00 1.57 1.57 -1.11 -2.90 116.57 116.51 2qtd h LYS 53 Ca 0.16 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2qtd h LYS 53 Cb 0.47 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 2qtd h LYS 53 CO 0.02 0.12 -0.09 0.93 -0.57 0.00 0.00 179.45 179.86 2qtd h GLU 54 N 0.00 0.00 -5.79 3.15 4.39 -1.29 -3.47 114.58 111.58 2qtd h GLU 54 Ca -0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 2qtd h GLU 54 Cb 0.34 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.12 2qtd h GLU 54 CO 0.02 0.09 -0.81 -1.71 -1.16 0.00 0.00 179.01 175.44 2qtd n ASN 55 N -3.74 -2.58 -4.76 1.42 5.15 -1.10 -4.95 115.26 104.70 2qtd n ASN 55 Ca -0.02 -0.71 -0.32 0.00 -0.60 0.00 0.00 54.58 52.92 2qtd n ASN 55 Cb 0.20 -4.72 0.07 0.00 -0.53 0.00 0.00 39.78 34.80 2qtd n ASN 55 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2qtd s VAL 56 N -3.47 3.21 -0.07 3.44 -7.23 -1.26 -4.94 120.40 110.09 2qtd s VAL 56 Ca 0.09 0.48 0.14 0.00 -1.81 0.00 0.00 61.98 60.87 2qtd s VAL 56 Cb -0.02 -2.97 -0.10 0.00 0.56 0.00 0.00 36.38 33.85 2qtd s VAL 56 CO 0.76 -0.43 1.09 0.78 -0.31 0.00 0.00 175.10 176.99 2qtd h ASN 57 N -0.58 0.00 -5.01 4.85 4.21 -1.02 -3.46 115.58 114.57 2qtd h ASN 57 Ca -0.45 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.00 2qtd h ASN 57 Cb 1.24 0.00 -0.16 0.00 -1.12 0.00 0.00 38.32 38.28 2qtd h ASN 57 CO 0.52 0.71 0.11 0.00 -1.29 0.00 0.00 177.43 177.47 2qtd s ALA 58 N -2.84 -1.49 0.02 -0.83 0.00 -1.15 -3.21 121.76 112.25 2qtd s ALA 58 Ca -0.00 0.79 0.09 0.00 0.00 0.00 0.00 51.96 52.83 2qtd s ALA 58 Cb 0.08 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 2qtd s ALA 58 CO 0.79 -0.50 -0.26 0.42 0.00 0.00 0.00 175.76 176.21 2qtd s ILE 59 N -2.27 2.14 -0.18 0.00 1.01 -0.62 -1.11 121.20 120.17 2qtd s ILE 59 Ca -0.06 -1.27 -0.00 0.00 0.00 0.00 0.00 60.65 59.32 2qtd s ILE 59 Cb -0.01 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.67 2qtd s ILE 59 CO -0.00 0.45 -0.15 -0.63 0.00 0.00 0.00 174.94 174.61 2qtd s ILE 60 N -0.73 2.57 0.24 2.92 1.01 0.19 -0.25 121.20 127.15 2qtd s ILE 60 Ca 0.11 -0.78 -0.15 0.00 0.00 0.00 0.00 60.65 59.83 2qtd s ILE 60 Cb -0.10 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.27 2qtd s ILE 60 CO 0.01 0.51 0.51 0.00 0.00 0.00 0.00 174.94 175.96 2qtd n LYS 62 N -0.37 0.74 -3.89 0.00 5.02 -1.26 -0.71 118.16 117.68 2qtd n LYS 62 Ca -0.04 0.25 -0.10 0.00 -2.02 0.00 0.00 58.31 56.40 2qtd n LYS 62 Cb 0.62 -1.69 -0.09 0.00 -0.02 0.00 0.00 35.03 33.85 2qtd n LYS 62 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2qtd s ASN 63 N -6.90 0.13 -0.05 4.39 0.01 -1.20 -4.84 114.94 106.48 2qtd s ASN 63 Ca -0.22 -0.52 -0.19 0.00 -0.71 0.00 0.00 52.86 51.21 2qtd s ASN 63 Cb 0.07 0.27 0.04 0.00 0.41 0.00 0.00 41.25 42.04 2qtd s ASN 63 CO 0.75 -0.57 0.43 -0.51 -1.51 0.00 0.00 177.10 175.69 2qtd s ILE 64 N -2.91 0.03 0.60 0.60 2.07 -1.26 -0.81 121.20 119.53 2qtd s ILE 64 Ca -0.02 -0.26 -0.13 0.00 -1.41 0.00 0.00 60.65 58.82 2qtd s ILE 64 Cb 0.01 -0.72 -0.04 0.00 0.13 0.00 0.00 42.46 41.84 2qtd s ILE 64 CO -0.06 -0.15 1.03 -0.94 -1.91 0.00 0.00 174.94 172.91 2qtd s SER 65 N -1.00 6.10 0.23 4.50 1.04 -1.26 -4.76 113.70 118.55 2qtd s SER 65 Ca -0.10 1.57 -0.07 0.00 0.48 0.00 0.00 55.95 57.82 2qtd s SER 65 Cb -0.04 -2.50 0.30 0.00 0.10 0.00 0.00 66.02 63.89 2qtd s SER 65 CO 0.05 -0.95 1.83 -0.33 0.98 0.00 0.00 173.24 174.82 2qtd h GLU 66 N 0.07 0.82 -0.08 4.02 5.08 -1.98 0.21 114.58 122.72 2qtd h GLU 66 Ca -0.45 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2qtd h GLU 66 Cb 1.20 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 2qtd h GLU 66 CO 0.60 0.54 0.05 0.93 -1.00 0.00 0.00 179.01 180.13 2qtd h GLU 67 N 0.85 0.11 -0.45 2.33 5.08 -1.99 0.55 114.58 121.05 2qtd h GLU 67 Ca 0.35 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.57 2qtd h GLU 67 Cb 0.19 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2qtd h GLU 67 CO -0.18 0.12 -0.22 -0.91 -1.00 0.00 0.00 179.01 176.82 2qtd h ASN 68 N 0.06 0.93 -0.18 1.42 2.35 -1.88 -1.24 115.58 117.04 2qtd h ASN 68 Ca 0.03 -0.35 0.02 0.00 -0.55 0.00 0.00 56.30 55.46 2qtd h ASN 68 Cb 0.04 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 2qtd h ASN 68 CO -0.01 1.11 0.03 0.22 -1.65 0.00 0.00 177.43 177.14 2qtd h TYR 69 N 0.79 0.06 -0.27 1.19 3.20 -0.46 -0.77 116.97 120.71 2qtd h TYR 69 Ca 0.11 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.04 2qtd h TYR 69 Cb 0.77 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.99 2qtd h TYR 69 CO 0.05 0.02 -0.08 -0.22 -1.64 0.00 0.00 178.16 176.28 2qtd h LYS 70 N 0.11 -0.02 0.58 1.82 1.63 -0.66 -0.40 116.57 119.63 2qtd h LYS 70 Ca 0.08 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.85 2qtd h LYS 70 Cb 0.08 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.72 2qtd h LYS 70 CO -0.11 -0.01 -0.28 -0.22 -3.45 0.00 0.00 179.45 175.38 2qtd h LYS 71 N -0.02 -0.75 0.03 1.90 3.64 -1.04 -3.32 116.57 117.00 2qtd h LYS 71 Ca 0.13 0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.35 2qtd h LYS 71 Cb 0.22 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2qtd h LYS 71 CO -0.29 -0.48 -1.00 0.74 -2.27 0.00 0.00 179.45 176.15 2qtd h PHE 72 N -0.84 0.17 0.00 1.91 0.04 -1.14 -3.31 116.94 113.77 2qtd h PHE 72 Ca -0.08 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.57 2qtd h PHE 72 Cb 0.62 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.76 2qtd h PHE 72 CO -0.02 1.03 0.00 0.66 -0.60 0.00 0.00 178.31 179.38 2qtd h SER 73 N 0.04 0.00 -0.99 2.17 4.64 -1.16 0.47 113.55 118.73 2qtd h SER 73 Ca -0.04 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.39 2qtd h SER 73 Cb 1.71 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.72 2qtd h SER 73 CO 0.14 0.00 0.62 0.11 -0.87 0.00 0.00 176.83 176.83 2qtd h LYS 74 N 0.00 0.96 0.00 4.77 1.57 -1.67 -3.35 116.57 118.85 2qtd h LYS 74 Ca 0.00 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2qtd h LYS 74 Cb 0.27 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2qtd h LYS 74 CO 0.00 0.64 -1.21 1.17 -0.57 0.00 0.00 179.45 179.48 2qtd n LYS 75 N -4.62 2.88 -5.06 3.15 3.00 -0.97 -5.08 118.16 111.45 2qtd n LYS 75 Ca 0.18 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.18 2qtd n LYS 75 Cb 0.33 -1.08 -0.14 0.00 0.00 0.00 0.00 35.03 34.14 2qtd n LYS 75 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2qtd s ILE 76 N -2.07 2.54 0.01 3.15 1.01 0.12 -5.02 121.20 120.94 2qtd s ILE 76 Ca -0.02 -0.97 -0.22 0.00 0.00 0.00 0.00 60.65 59.44 2qtd s ILE 76 Cb 0.01 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 2qtd s ILE 76 CO 0.12 0.55 0.64 -1.61 0.00 0.00 0.00 174.94 174.64 2qtd s GLU 77 N -0.76 4.36 -0.18 2.79 2.02 -1.20 -4.13 118.70 121.60 2qtd s GLU 77 Ca 0.11 0.81 -0.00 0.00 0.02 0.00 0.00 54.97 55.91 2qtd s GLU 77 Cb -0.10 -3.35 0.01 0.00 0.10 0.00 0.00 34.13 30.79 2qtd s GLU 77 CO 0.00 0.35 -0.15 0.42 0.02 0.00 0.00 175.26 175.90 2qtd s ILE 78 N -0.15 2.52 0.07 -1.63 1.01 -1.26 -1.59 121.20 120.16 2qtd s ILE 78 Ca 0.33 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 60.25 2qtd s ILE 78 Cb -0.19 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 2qtd s ILE 78 CO 0.19 0.51 -0.14 -0.31 0.00 0.00 0.00 174.94 175.18 2qtd s TYR 79 N 1.19 2.64 -0.23 3.97 2.02 0.66 0.12 117.35 127.72 2qtd s TYR 79 Ca 0.02 -0.20 -0.19 0.00 -0.37 0.00 0.00 57.07 56.33 2qtd s TYR 79 Cb -0.14 -1.45 -0.03 0.00 -0.40 0.00 0.00 41.96 39.94 2qtd s TYR 79 CO -0.07 0.34 0.54 -1.58 -1.57 0.00 0.00 175.55 173.21 2qtd s HIS 80 N -1.05 3.31 0.49 2.71 5.65 0.12 -2.01 115.29 124.51 2qtd s HIS 80 Ca 0.17 0.73 -0.23 0.00 0.25 0.00 0.00 55.06 55.98 2qtd s HIS 80 Cb -0.11 -2.73 -0.07 0.00 -1.18 0.00 0.00 32.58 28.50 2qtd s HIS 80 CO 0.09 -0.22 1.27 0.00 -0.65 0.00 0.00 174.74 175.23 2qtd s ALA 81 N 2.08 2.96 -0.32 1.58 0.00 0.12 -4.40 121.76 123.78 2qtd s ALA 81 Ca 0.23 1.16 -0.00 0.00 0.00 0.00 0.00 51.96 53.35 2qtd s ALA 81 Cb -0.16 -3.48 0.07 0.00 0.00 0.00 0.00 23.12 19.55 2qtd s ALA 81 CO 0.09 -0.99 0.02 -1.21 0.00 0.00 0.00 175.76 173.67 2qtd s GLU 82 N -2.71 2.19 1.82 0.00 2.02 -1.26 -4.80 118.70 115.96 2qtd s GLU 82 Ca 0.66 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 54.18 2qtd s GLU 82 Cb -0.35 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.68 2qtd s GLU 82 CO 0.43 -0.73 0.00 0.41 0.02 0.00 0.00 175.26 175.38 2qtd n GLY 83 N 4.53 -1.14 0.03 -1.39 0.00 -1.26 -4.64 105.19 101.31 2qtd n GLY 83 Ca -0.09 -1.18 0.11 0.00 0.00 0.00 0.00 46.02 44.86 2qtd n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qtd n ASP 84 N -0.98 0.59 -4.55 1.61 8.00 -1.26 -4.83 116.55 115.12 2qtd n ASP 84 Ca 0.00 -0.29 -0.41 0.00 0.71 0.00 0.00 54.79 54.80 2qtd n ASP 84 Cb 0.00 0.97 -0.09 0.00 -0.02 0.00 0.00 41.12 41.98 2qtd n ASP 84 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qtd s ASP 85 N -3.88 6.24 0.26 -2.24 -1.08 -1.26 -1.39 116.67 113.32 2qtd s ASP 85 Ca 0.03 -0.12 -0.03 0.00 -0.52 0.00 0.00 52.55 51.91 2qtd s ASP 85 Cb 0.15 -2.23 0.32 0.00 -1.46 0.00 0.00 42.92 39.70 2qtd s ASP 85 CO 0.82 -0.39 1.78 1.62 0.52 0.00 0.00 175.17 179.52 2qtd h VAL 86 N 5.56 1.24 -0.28 1.11 3.04 -1.96 -1.76 116.25 123.20 2qtd h VAL 86 Ca -0.29 -0.93 -0.11 0.00 -1.01 0.00 0.00 66.70 64.35 2qtd h VAL 86 Cb 1.14 0.76 -0.00 0.00 -2.01 0.00 0.00 31.29 31.17 2qtd h VAL 86 CO 0.72 0.34 -0.26 0.44 -1.01 0.00 0.00 177.57 177.80 2qtd h ASP 87 N 0.81 0.71 -0.58 3.17 3.32 -1.99 -0.74 116.42 121.12 2qtd h ASP 87 Ca 0.17 -0.47 0.07 0.00 0.02 0.00 0.00 57.03 56.81 2qtd h ASP 87 Cb 0.39 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 2qtd h ASP 87 CO 0.01 1.03 0.28 0.50 -1.72 0.00 0.00 179.24 179.34 2qtd h LYS 88 N 0.40 0.50 -0.46 3.56 1.63 -1.96 -1.31 116.57 118.94 2qtd h LYS 88 Ca 0.05 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.73 2qtd h LYS 88 Cb 0.83 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 2qtd h LYS 88 CO 0.07 0.33 -0.05 -0.91 -3.45 0.00 0.00 179.45 175.44 2qtd h ASN 89 N 0.52 0.77 -0.40 4.20 2.35 -1.11 -0.54 115.58 121.36 2qtd h ASN 89 Ca 0.27 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2qtd h ASN 89 Cb 0.23 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2qtd h ASN 89 CO -0.21 0.86 0.19 0.40 -1.65 0.00 0.00 177.43 177.02 2qtd h ILE 90 N 0.73 1.17 -0.25 2.81 2.04 -0.89 0.13 117.51 123.25 2qtd h ILE 90 Ca 0.13 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.53 2qtd h ILE 90 Cb 0.51 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2qtd h ILE 90 CO 0.03 0.18 0.12 -1.28 0.00 0.00 0.00 178.15 177.20 2qtd h SER 91 N 0.50 0.17 -1.01 1.72 0.87 -1.01 -1.48 113.55 113.31 2qtd h SER 91 Ca 0.14 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.75 2qtd h SER 91 Cb 0.12 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.00 2qtd h SER 91 CO -0.02 0.13 0.66 -0.07 -0.53 0.00 0.00 176.83 177.00 2qtd h LEU 92 N 0.25 1.10 0.31 2.23 3.38 -0.92 -1.08 115.31 120.58 2qtd h LEU 92 Ca 0.10 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2qtd h LEU 92 Cb 0.04 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2qtd h LEU 92 CO -0.08 0.75 -0.17 0.15 0.09 0.00 0.00 178.44 179.18 2qtd h PHE 93 N 1.28 -0.44 -0.95 1.13 3.57 -0.64 -0.51 116.94 120.38 2qtd h PHE 93 Ca 0.40 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.92 2qtd h PHE 93 Cb -0.00 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 2qtd h PHE 93 CO -0.00 -0.27 0.63 0.82 -2.23 0.00 0.00 178.31 177.26 2qtd h ILE 94 N -0.45 1.20 0.00 1.41 2.04 -1.06 -1.52 117.51 119.13 2qtd h ILE 94 Ca -0.04 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2qtd h ILE 94 Cb 0.36 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 2qtd h ILE 94 CO 0.05 0.23 0.00 -0.62 0.00 0.00 0.00 178.15 177.81 2qtd n GLU 95 N -4.41 0.04 -1.04 2.37 1.02 -0.43 -4.89 120.64 113.30 2qtd n GLU 95 Ca 0.12 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 2qtd n GLU 95 Cb 0.06 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 2qtd n GLU 95 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qtd n GLY 96 N 0.10 0.45 0.81 0.62 0.00 -0.57 -4.98 105.19 101.61 2qtd n GLY 96 Ca 0.03 -0.97 0.10 0.00 0.00 0.00 0.00 46.02 45.18 2qtd n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qtd n GLU 97 N -2.64 1.82 -3.39 1.61 1.02 -0.24 -4.94 120.64 113.88 2qtd n GLU 97 Ca 0.00 -1.70 -0.37 0.00 -0.02 0.00 0.00 57.16 55.07 2qtd n GLU 97 Cb 0.06 -1.39 -0.06 0.00 -0.02 0.00 0.00 31.44 30.03 2qtd n GLU 97 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qtd s LEU 98 N -1.71 4.44 0.25 -4.62 1.43 -1.25 -4.98 118.68 112.24 2qtd s LEU 98 Ca 0.24 1.08 -0.23 0.00 -1.03 0.00 0.00 54.13 54.18 2qtd s LEU 98 Cb 0.17 -2.94 -0.09 0.00 0.03 0.00 0.00 46.19 43.36 2qtd s LEU 98 CO 0.26 0.22 0.82 -0.94 0.23 0.00 0.00 176.35 176.94 2qtd s SER 99 N -1.36 7.25 -0.12 2.29 1.04 -1.26 -4.91 113.70 116.62 2qtd s SER 99 Ca 0.31 1.63 -0.21 0.00 0.48 0.00 0.00 55.95 58.16 2qtd s SER 99 Cb -0.17 -2.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.42 2qtd s SER 99 CO 0.17 0.04 0.60 -0.75 0.98 0.00 0.00 173.24 174.28 2qtd s LYS 100 N -1.81 4.34 0.01 4.02 2.20 -1.26 -0.71 119.74 126.53 2qtd s LYS 100 Ca 0.44 0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 56.40 2qtd s LYS 100 Cb -0.19 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 2qtd s LYS 100 CO 0.23 0.02 1.31 0.42 -0.36 0.00 0.00 175.35 176.97 2qtd s ILE 101 N 1.03 3.86 -0.13 5.43 1.01 0.12 -4.91 121.20 127.59 2qtd s ILE 101 Ca 0.31 1.26 0.16 0.00 0.00 0.00 0.00 60.65 62.39 2qtd s ILE 101 Cb -0.16 -3.81 -0.23 0.00 0.01 0.00 0.00 42.46 38.26 2qtd s ILE 101 CO 0.13 0.03 0.15 -1.54 0.00 0.00 0.00 174.94 173.71 2qtd n SER 102 N 4.89 0.70 -3.78 3.58 3.41 -1.26 -4.76 113.62 116.40 2qtd n SER 102 Ca 0.12 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 2qtd n SER 102 Cb 0.45 1.17 -0.11 0.00 -0.26 0.00 0.00 64.21 65.45 2qtd n SER 102 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2qtd s ASN 103 N -4.89 -0.29 0.00 4.04 -0.87 -1.26 -5.18 114.94 106.49 2qtd s ASN 103 Ca -0.08 0.55 0.23 0.00 -1.57 0.00 0.00 52.86 51.99 2qtd s ASN 103 Cb 0.07 0.57 1.37 0.00 -0.02 0.00 0.00 41.25 43.24 2qtd s ASN 103 CO 0.73 -0.11 1.74 -0.81 -2.57 0.00 0.00 177.10 176.08