#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wkd s THR 1 N 0.00 1.92 -0.11 2.61 2.01 -1.26 -5.12 115.64 115.69 2wkd s THR 1 Ca 0.00 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.08 2wkd s THR 1 Cb 0.00 -1.66 0.01 0.00 0.01 0.00 0.00 72.50 70.85 2wkd s THR 1 CO 0.00 0.53 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.63 2wkd s ILE 2 N 0.33 1.83 -0.15 1.82 -1.09 -1.26 -3.95 121.20 118.73 2wkd s ILE 2 Ca -0.17 -0.86 -0.03 0.00 -2.23 0.00 0.00 60.65 57.36 2wkd s ILE 2 Cb -0.17 -1.62 -0.03 0.00 -1.58 0.00 0.00 42.46 39.06 2wkd s ILE 2 CO 0.08 0.51 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.63 2wkd s ILE 3 N 0.69 3.96 -0.20 2.92 1.01 -0.38 -4.91 121.20 124.29 2wkd s ILE 3 Ca -0.12 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.20 2wkd s ILE 3 Cb -0.16 -2.72 0.04 0.00 0.01 0.00 0.00 42.46 39.62 2wkd s ILE 3 CO 0.02 0.51 -0.12 -0.89 0.00 0.00 0.00 174.94 174.46 2wkd s THR 4 N 0.20 1.76 -0.05 2.92 2.01 -1.26 -1.24 115.64 119.98 2wkd s THR 4 Ca -0.02 -1.07 0.06 0.00 0.31 0.00 0.00 61.69 60.98 2wkd s THR 4 Cb -0.14 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 2wkd s THR 4 CO 0.03 0.20 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.22 2wkd s VAL 5 N 1.35 2.04 -0.17 3.82 1.01 0.13 -4.95 120.40 123.63 2wkd s VAL 5 Ca -0.01 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 2wkd s VAL 5 Cb -0.16 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 2wkd s VAL 5 CO -0.08 0.57 -0.07 -0.89 0.00 0.00 0.00 175.10 174.63 2wkd s THR 6 N -0.24 3.49 0.10 3.92 2.01 -1.26 0.18 115.64 123.84 2wkd s THR 6 Ca -0.01 -0.49 -0.23 0.00 0.31 0.00 0.00 61.69 61.27 2wkd s THR 6 Cb -0.13 -2.53 0.06 0.00 0.01 0.00 0.00 72.50 69.91 2wkd s THR 6 CO 0.03 0.48 0.58 0.00 -0.69 0.00 0.00 174.62 175.01 2wkd s ALA 7 N 0.70 -1.50 -0.04 7.40 0.00 -0.60 -4.99 121.76 122.72 2wkd s ALA 7 Ca -0.03 0.58 -0.23 0.00 0.00 0.00 0.00 51.96 52.28 2wkd s ALA 7 Cb -0.15 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 2wkd s ALA 7 CO 0.02 -0.64 0.69 -1.14 0.00 0.00 0.00 175.76 174.68 2wkd s GLN 8 N -3.11 4.43 -0.48 0.00 0.74 -1.26 -1.02 119.66 118.96 2wkd s GLN 8 Ca -0.02 0.87 -0.29 0.00 0.05 0.00 0.00 55.36 55.98 2wkd s GLN 8 Cb -0.00 -3.42 0.03 0.00 1.10 0.00 0.00 33.01 30.72 2wkd s GLN 8 CO -0.07 0.15 1.12 0.00 -0.55 0.00 0.00 175.29 175.94 2wkd s ALA 9 N 0.51 3.16 0.19 1.58 0.00 0.30 -4.89 121.76 122.61 2wkd s ALA 9 Ca 0.36 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.86 2wkd s ALA 9 Cb -0.18 -3.88 -0.01 0.00 0.00 0.00 0.00 23.12 19.05 2wkd s ALA 9 CO 0.18 -2.25 0.19 0.27 0.00 0.00 0.00 175.76 174.15 2wkd n ASN 10 N 7.81 -0.49 0.26 0.00 0.23 -1.26 0.32 115.26 122.13 2wkd n ASN 10 Ca 0.12 -2.23 0.12 0.00 -0.53 0.00 0.00 54.58 52.06 2wkd n ASN 10 Cb 0.49 1.08 0.73 0.00 -2.08 0.00 0.00 39.78 39.99 2wkd n ASN 10 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2wkd h GLU 11 N 0.00 0.00 0.00 -3.83 3.07 -1.94 -0.62 114.58 111.26 2wkd h GLU 11 Ca -0.14 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.62 2wkd h GLU 11 Cb 0.69 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 2wkd h GLU 11 CO 0.20 0.09 -0.48 0.87 -1.40 0.00 0.00 179.01 178.29 2wkd h LYS 12 N 0.00 0.00 0.00 2.33 1.57 -1.96 -3.38 116.57 115.13 2wkd h LYS 12 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wkd h LYS 12 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2wkd h LYS 12 CO 0.01 0.48 0.00 0.27 -0.57 0.00 0.00 179.45 179.64 2wkd n ASN 13 N -3.37 0.49 -4.07 0.86 0.23 -0.91 -5.03 115.26 103.47 2wkd n ASN 13 Ca 0.01 -0.95 -0.23 0.00 -0.53 0.00 0.00 54.58 52.88 2wkd n ASN 13 Cb 0.65 0.04 -0.16 0.00 -2.08 0.00 0.00 39.78 38.23 2wkd n ASN 13 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2wkd s THR 14 N -0.04 1.09 0.09 5.53 2.01 -0.29 -0.69 115.64 123.35 2wkd s THR 14 Ca 0.00 -0.53 0.06 0.00 0.31 0.00 0.00 61.69 61.53 2wkd s THR 14 Cb 0.00 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 2wkd s THR 14 CO 0.00 0.32 -0.15 -0.13 -0.69 0.00 0.00 174.62 173.97 2wkd s ARG 15 N 0.11 0.91 -0.22 4.92 0.52 -0.65 -4.66 118.95 119.89 2wkd s ARG 15 Ca -0.03 -1.05 -0.08 0.00 -0.52 0.00 0.00 55.73 54.04 2wkd s ARG 15 Cb -0.10 -0.93 -0.04 0.00 0.52 0.00 0.00 34.95 34.40 2wkd s ARG 15 CO 0.01 0.20 0.09 0.99 0.02 0.00 0.00 175.30 176.61 2wkd s THR 16 N -1.46 4.76 0.16 0.02 2.01 -1.26 -0.46 115.64 119.41 2wkd s THR 16 Ca 0.02 -0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.07 2wkd s THR 16 Cb -0.09 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2wkd s THR 16 CO 0.03 0.39 -0.19 0.68 -0.69 0.00 0.00 174.62 174.84 2wkd s VAL 17 N 0.95 1.83 0.24 3.82 -7.23 0.02 -4.95 120.40 115.08 2wkd s VAL 17 Ca 0.05 -1.88 -0.30 0.00 -1.81 0.00 0.00 61.98 58.03 2wkd s VAL 17 Cb -0.14 -1.83 -0.09 0.00 0.56 0.00 0.00 36.38 34.89 2wkd s VAL 17 CO 0.03 -0.28 0.96 -0.94 -0.31 0.00 0.00 175.10 174.56 2wkd s SER 18 N -2.58 7.60 0.25 4.85 1.04 -1.26 -1.18 113.70 122.41 2wkd s SER 18 Ca 0.15 1.97 0.01 0.00 0.48 0.00 0.00 55.95 58.56 2wkd s SER 18 Cb -0.06 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.40 2wkd s SER 18 CO 0.06 0.11 0.12 0.42 0.98 0.00 0.00 173.24 174.94 2wkd s THR 19 N -1.10 0.34 -0.15 2.02 -4.23 -0.97 -4.91 115.64 106.63 2wkd s THR 19 Ca 0.42 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.16 2wkd s THR 19 Cb -0.26 -2.57 0.23 0.00 1.34 0.00 0.00 72.50 71.23 2wkd s THR 19 CO 0.33 0.00 1.70 0.00 -0.54 0.00 0.00 174.62 176.11 2wkd h ALA 20 N 2.43 1.00 -0.47 3.99 0.00 -2.01 -0.32 119.26 123.89 2wkd h ALA 20 Ca -0.37 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 2wkd h ALA 20 Cb 1.25 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 2wkd h ALA 20 CO 0.57 0.00 0.09 1.63 0.00 0.00 0.00 179.25 181.54 2wkd n LYS 21 N -2.30 2.90 0.00 0.00 4.76 -1.26 -5.09 118.16 117.17 2wkd n LYS 21 Ca -0.01 -3.02 0.00 0.00 -2.87 0.00 0.00 58.31 52.40 2wkd n LYS 21 Cb 0.04 -1.98 0.00 0.00 -1.84 0.00 0.00 35.03 31.25 2wkd n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wkd n GLY 22 N -0.57 -2.18 3.64 0.72 0.00 -0.13 -4.88 105.19 101.79 2wkd n GLY 22 Ca 0.32 -1.54 -0.50 0.00 0.00 0.00 0.00 46.02 44.31 2wkd n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wkd n ASP 23 N 0.43 2.42 -4.01 1.61 9.92 -1.26 -2.28 116.55 123.38 2wkd n ASP 23 Ca 0.00 1.09 -0.18 0.00 -0.53 0.00 0.00 54.79 55.17 2wkd n ASP 23 Cb 0.00 -1.30 -0.15 0.00 -0.64 0.00 0.00 41.12 39.04 2wkd n ASP 23 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2wkd s LYS 24 N 1.13 0.66 0.19 -1.24 -0.14 -0.32 -4.94 119.74 115.08 2wkd s LYS 24 Ca 0.84 -0.30 -0.30 0.00 -1.36 0.00 0.00 55.97 54.85 2wkd s LYS 24 Cb -0.83 -0.64 -0.08 0.00 -1.68 0.00 0.00 37.83 34.60 2wkd s LYS 24 CO 0.45 0.18 1.05 0.15 -0.76 0.00 0.00 175.35 176.41 2wkd s LYS 25 N -0.21 4.66 -0.12 1.68 1.02 -1.26 -0.80 119.74 124.71 2wkd s LYS 25 Ca 0.03 1.64 0.02 0.00 0.02 0.00 0.00 55.97 57.68 2wkd s LYS 25 Cb -0.03 -3.29 0.01 0.00 -0.52 0.00 0.00 37.83 34.01 2wkd s LYS 25 CO -0.00 0.19 -0.17 0.42 -0.92 0.00 0.00 175.35 174.86 2wkd s ILE 26 N -0.45 1.71 0.01 2.17 1.01 0.39 -4.39 121.20 121.64 2wkd s ILE 26 Ca 0.47 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 2wkd s ILE 26 Cb -0.28 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 2wkd s ILE 26 CO 0.34 0.48 0.15 -0.51 0.00 0.00 0.00 174.94 175.41 2wkd s ILE 27 N 0.99 5.17 -0.19 2.92 2.07 -0.46 -1.63 121.20 130.06 2wkd s ILE 27 Ca -0.05 -0.32 0.01 0.00 -1.41 0.00 0.00 60.65 58.88 2wkd s ILE 27 Cb -0.15 -3.43 0.03 0.00 0.13 0.00 0.00 42.46 39.04 2wkd s ILE 27 CO -0.03 0.28 -0.15 -0.55 -1.91 0.00 0.00 174.94 172.57 2wkd s SER 28 N -2.05 3.37 0.08 4.50 0.15 0.14 -1.48 113.70 118.40 2wkd s SER 28 Ca 0.28 -0.81 0.08 0.00 0.70 0.00 0.00 55.95 56.19 2wkd s SER 28 Cb -0.12 -1.40 -0.03 0.00 -1.71 0.00 0.00 66.02 62.76 2wkd s SER 28 CO 0.20 -0.07 -0.21 0.68 1.20 0.00 0.00 173.24 175.04 2wkd s VAL 29 N 1.31 1.68 0.16 4.45 -7.23 0.79 -4.83 120.40 116.73 2wkd s VAL 29 Ca 0.01 -1.39 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 2wkd s VAL 29 Cb -0.15 -1.50 -0.08 0.00 0.56 0.00 0.00 36.38 35.21 2wkd s VAL 29 CO -0.10 0.05 1.24 -2.16 -0.31 0.00 0.00 175.10 173.82 2wkd s PRO 30 N -1.59 4.44 0.01 4.82 0.04 -1.26 0.23 135.00 141.69 2wkd s PRO 30 Ca 0.07 1.92 0.27 0.00 0.04 0.00 0.00 61.00 63.30 2wkd s PRO 30 Cb -0.09 -3.24 0.88 0.00 0.04 0.00 0.00 34.50 32.08 2wkd s PRO 30 CO 0.03 -0.18 1.69 1.28 0.04 0.00 0.00 177.00 179.85 2wkd n LEU 31 N 2.86 0.27 -3.81 -3.56 4.77 0.02 -4.87 117.00 112.68 2wkd n LEU 31 Ca 0.06 0.29 -0.04 0.00 -0.03 0.00 0.00 56.01 56.29 2wkd n LEU 31 Cb 0.44 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2wkd n LEU 31 CO 0.56 0.04 0.72 0.72 -1.33 0.00 0.00 177.39 178.10 2wkd s PHE 32 N -3.01 -0.03 0.44 -1.77 -0.12 -1.26 -5.05 117.98 107.18 2wkd s PHE 32 Ca 0.12 -0.36 0.07 0.00 -0.05 0.00 0.00 56.93 56.71 2wkd s PHE 32 Cb 0.18 0.69 -0.01 0.00 -0.63 0.00 0.00 43.02 43.25 2wkd s PHE 32 CO 0.61 -0.97 0.38 -1.21 -0.05 0.00 0.00 175.22 173.98 2wkd s GLU 33 N -2.81 2.45 0.26 1.99 2.02 -1.26 -4.84 118.70 116.50 2wkd s GLU 33 Ca 0.16 -1.65 0.01 0.00 0.02 0.00 0.00 54.97 53.51 2wkd s GLU 33 Cb -0.02 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 2wkd s GLU 33 CO 0.05 -0.28 0.13 -1.59 0.02 0.00 0.00 175.26 173.59 2wkd s LYS 34 N -4.15 1.41 0.03 1.61 -2.85 -1.26 -5.03 119.74 109.50 2wkd s LYS 34 Ca 0.46 -1.78 -0.18 0.00 -1.00 0.00 0.00 55.97 53.47 2wkd s LYS 34 Cb -0.02 -0.02 -0.20 0.00 -2.06 0.00 0.00 37.83 35.53 2wkd s LYS 34 CO 0.27 -0.38 1.19 0.93 0.10 0.00 0.00 175.35 177.45 2wkd h GLU 35 N 2.40 0.50 -2.28 1.78 5.08 -2.10 -3.54 114.58 116.42 2wkd h GLU 35 Ca -0.36 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.56 2wkd h GLU 35 Cb 1.25 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2wkd h GLU 35 CO 0.55 1.08 0.00 0.28 -1.00 0.00 0.00 179.01 179.91 2wkd n VAL 40 N -4.22 -2.28 -3.23 3.13 0.31 -1.26 -5.24 118.33 105.55 2wkd n VAL 40 Ca -0.09 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.86 2wkd n VAL 40 Cb 0.63 -2.91 -0.06 0.00 -0.91 0.00 0.00 33.84 30.59 2wkd n VAL 40 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2wkd s LYS 41 N -1.31 4.26 -0.00 5.55 -2.85 -1.26 -5.05 119.74 119.08 2wkd s LYS 41 Ca 0.00 0.78 -0.26 0.00 -1.00 0.00 0.00 55.97 55.49 2wkd s LYS 41 Cb 0.00 -3.26 -0.04 0.00 -2.06 0.00 0.00 37.83 32.47 2wkd s LYS 41 CO 0.00 0.58 0.81 0.08 0.10 0.00 0.00 175.35 176.92 2wkd s VAL 42 N -0.94 4.87 0.40 1.79 1.01 -1.26 -5.05 120.40 121.21 2wkd s VAL 42 Ca 0.30 1.70 -0.24 0.00 0.00 0.00 0.00 61.98 63.74 2wkd s VAL 42 Cb -0.20 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 31.94 2wkd s VAL 42 CO 0.19 0.27 1.05 0.00 0.00 0.00 0.00 175.10 176.61 2wkd s ALA 43 N 0.53 3.08 -0.04 5.51 0.00 -1.26 -4.95 121.76 124.63 2wkd s ALA 43 Ca 0.42 0.69 0.07 0.00 0.00 0.00 0.00 51.96 53.14 2wkd s ALA 43 Cb -0.20 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 2wkd s ALA 43 CO 0.23 -0.21 -0.25 0.71 0.00 0.00 0.00 175.76 176.24 2wkd s TYR 44 N -1.67 2.36 0.06 0.00 1.51 -1.26 -0.80 117.35 117.55 2wkd s TYR 44 Ca 0.58 -0.57 0.05 0.00 -1.01 0.00 0.00 57.07 56.12 2wkd s TYR 44 Cb -0.22 -1.53 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 2wkd s TYR 44 CO 0.27 -0.12 -0.04 0.20 -1.11 0.00 0.00 175.55 174.75 2wkd s GLY 45 N -0.40 1.85 0.05 0.71 0.00 0.13 -4.01 107.32 105.65 2wkd s GLY 45 Ca 0.04 -1.11 0.05 0.00 0.00 0.00 0.00 44.72 43.70 2wkd s GLY 45 CO 0.01 -1.05 -0.08 -0.56 0.00 0.00 0.00 173.10 171.42 2wkd s SER 46 N -2.01 4.53 -0.06 1.64 0.01 -0.28 -0.15 113.70 117.39 2wkd s SER 46 Ca 0.22 -0.24 -0.08 0.00 1.31 0.00 0.00 55.95 57.16 2wkd s SER 46 Cb -0.11 -0.98 0.02 0.00 0.21 0.00 0.00 66.02 65.15 2wkd s SER 46 CO 0.14 0.24 0.21 0.00 0.41 0.00 0.00 173.24 174.24 2wkd s ALA 47 N -1.09 -0.52 1.00 1.44 0.00 -0.55 -1.52 121.76 120.52 2wkd s ALA 47 Ca 0.19 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2wkd s ALA 47 Cb -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.80 2wkd s ALA 47 CO 0.10 -0.14 0.00 1.19 0.00 0.00 0.00 175.76 176.91 2wkd n PHE 48 N 2.46 -0.66 -4.09 0.00 3.72 -1.26 -1.36 117.46 116.26 2wkd n PHE 48 Ca -0.16 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.00 2wkd n PHE 48 Cb 0.58 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.07 2wkd n PHE 48 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2wkd s PRO 50 N -0.43 2.91 0.50 -1.08 0.04 -1.26 -4.96 135.00 130.72 2wkd s PRO 50 Ca 0.00 -0.94 0.15 0.00 0.04 0.00 0.00 61.00 60.25 2wkd s PRO 50 Cb 0.00 -2.62 1.20 0.00 0.04 0.00 0.00 34.50 33.12 2wkd s PRO 50 CO 0.00 0.45 2.13 -0.44 0.04 0.00 0.00 177.00 179.18 2wkd h ASP 51 N 2.04 0.07 1.40 6.66 3.32 -1.99 -2.66 116.42 125.25 2wkd h ASP 51 Ca -0.48 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 2wkd h ASP 51 Cb 1.22 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 2wkd h ASP 51 CO 0.62 0.06 -0.01 2.19 -1.72 0.00 0.00 179.24 180.38 2wkd h PHE 52 N 0.08 0.00 -3.49 4.55 -5.15 -2.04 -3.45 116.94 107.45 2wkd h PHE 52 Ca 0.02 0.00 -0.53 0.00 -0.20 0.00 0.00 57.97 57.26 2wkd h PHE 52 Cb 0.01 0.00 0.08 0.00 0.22 0.00 0.00 35.95 36.26 2wkd h PHE 52 CO 0.00 0.01 0.82 0.42 -2.00 0.00 0.00 178.31 177.56 2wkd s ILE 53 N -3.49 2.25 0.00 0.88 -1.09 -1.01 -5.15 121.20 113.60 2wkd s ILE 53 Ca 0.03 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 2wkd s ILE 53 Cb 0.07 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 2wkd s ILE 53 CO 0.60 0.04 0.00 0.00 -1.23 0.00 0.00 174.94 174.34 2wkd n GLN 54 N 1.81 0.00 0.00 2.79 6.02 -1.26 -5.01 117.38 121.73 2wkd n GLN 54 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2wkd n GLN 54 Cb 0.39 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.65 2wkd n GLN 54 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wkd n GLY 56 N 4.66 0.00 3.76 1.08 0.00 0.15 -4.85 105.19 109.99 2wkd n GLY 56 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2wkd n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wkd s ASP 57 N -0.51 5.63 -0.12 1.61 1.01 -1.26 -4.73 116.67 118.31 2wkd s ASP 57 Ca 0.00 2.34 -0.13 0.00 0.71 0.00 0.00 52.55 55.48 2wkd s ASP 57 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 2wkd s ASP 57 CO 0.00 -1.29 0.29 -0.89 0.21 0.00 0.00 175.17 173.49 2wkd s THR 58 N -1.60 5.28 0.11 -1.27 2.01 -1.26 -0.54 115.64 118.37 2wkd s THR 58 Ca 0.71 0.55 0.05 0.00 0.31 0.00 0.00 61.69 63.31 2wkd s THR 58 Cb -0.29 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2wkd s THR 58 CO 0.33 0.47 -0.12 0.68 -0.69 0.00 0.00 174.62 175.29 2wkd s VAL 59 N -0.14 1.14 -0.26 3.82 -7.23 -0.19 -0.63 120.40 116.90 2wkd s VAL 59 Ca 0.18 -1.66 -0.06 0.00 -1.81 0.00 0.00 61.98 58.63 2wkd s VAL 59 Cb -0.14 -1.42 -0.00 0.00 0.56 0.00 0.00 36.38 35.38 2wkd s VAL 59 CO 0.06 -0.47 0.04 -0.89 -0.31 0.00 0.00 175.10 173.53 2wkd s THR 60 N -2.22 3.85 -0.25 5.32 2.01 0.55 -1.56 115.64 123.34 2wkd s THR 60 Ca 0.07 -0.54 -0.08 0.00 0.31 0.00 0.00 61.69 61.45 2wkd s THR 60 Cb -0.04 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 2wkd s THR 60 CO 0.02 0.23 0.10 -0.69 -0.69 0.00 0.00 174.62 173.58 2wkd s VAL 61 N 1.51 4.58 -0.06 3.82 1.01 0.13 -1.55 120.40 129.84 2wkd s VAL 61 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2wkd s VAL 61 Cb -0.16 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.10 2wkd s VAL 61 CO 0.01 0.33 -0.03 -0.55 0.00 0.00 0.00 175.10 174.86 2wkd s SER 62 N 1.54 1.24 0.00 3.32 0.15 -0.40 0.19 113.70 119.74 2wkd s SER 62 Ca 0.06 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.58 2wkd s SER 62 Cb -0.15 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 2wkd s SER 62 CO 0.05 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2wkd n GLY 63 N 4.44 -2.06 3.73 9.45 0.00 -0.38 -0.57 105.19 119.81 2wkd n GLY 63 Ca -0.18 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 2wkd n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wkd s ARG 64 N -1.91 2.59 -0.00 1.61 0.52 -1.25 -1.24 118.95 119.26 2wkd s ARG 64 Ca 0.00 2.08 0.07 0.00 -0.52 0.00 0.00 55.73 57.36 2wkd s ARG 64 Cb 0.00 -1.87 -0.02 0.00 0.52 0.00 0.00 34.95 33.58 2wkd s ARG 64 CO 0.00 -1.57 -0.20 0.14 0.02 0.00 0.00 175.30 173.68 2wkd s VAL 65 N -1.38 1.62 -0.12 3.52 -7.23 -1.26 -0.68 120.40 114.87 2wkd s VAL 65 Ca 0.82 -0.95 -0.01 0.00 -1.81 0.00 0.00 61.98 60.03 2wkd s VAL 65 Cb -0.38 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.17 2wkd s VAL 65 CO 0.40 0.39 -0.07 -1.10 -0.31 0.00 0.00 175.10 174.41 2wkd s GLN 66 N -0.65 3.29 -0.12 4.82 -0.21 0.34 -4.94 119.66 122.20 2wkd s GLN 66 Ca 0.08 -0.58 -0.05 0.00 0.02 0.00 0.00 55.36 54.84 2wkd s GLN 66 Cb -0.08 -2.73 -0.04 0.00 1.00 0.00 0.00 33.01 31.16 2wkd s GLN 66 CO -0.00 0.37 0.06 0.00 -2.12 0.00 0.00 175.29 173.60 2wkd s ALA 67 N -0.03 3.49 0.00 6.09 0.00 -1.26 -1.06 121.76 129.00 2wkd s ALA 67 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2wkd s ALA 67 Cb -0.14 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.26 2wkd s ALA 67 CO 0.03 0.51 0.00 1.63 0.00 0.00 0.00 175.76 177.93 2wkd n LYS 68 N 2.40 0.00 -1.51 0.00 5.02 -1.26 -5.00 118.16 117.81 2wkd n LYS 68 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 2wkd n LYS 68 Cb 0.54 -0.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.99 2wkd n LYS 68 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wkd n ASN 75 N -2.57 -8.16 -3.99 4.39 3.02 -1.26 -5.12 115.26 101.56 2wkd n ASN 75 Ca 0.00 1.16 -0.29 0.00 -0.03 0.00 0.00 54.58 55.41 2wkd n ASN 75 Cb 0.35 -4.35 -0.17 0.00 -0.61 0.00 0.00 39.78 35.01 2wkd n ASN 75 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2wkd s TYR 76 N -2.96 2.01 -0.03 3.10 1.51 -1.26 -4.95 117.35 114.77 2wkd s TYR 76 Ca 0.00 -1.11 0.06 0.00 -1.01 0.00 0.00 57.07 55.01 2wkd s TYR 76 Cb 0.00 -1.51 -0.01 0.00 -0.11 0.00 0.00 41.96 40.32 2wkd s TYR 76 CO 0.00 -0.64 -0.22 -0.80 -1.11 0.00 0.00 175.55 172.78 2wkd s ASN 77 N 1.54 2.65 0.42 2.29 0.01 -0.22 -1.13 114.94 120.49 2wkd s ASN 77 Ca 0.05 -0.42 -0.25 0.00 -0.71 0.00 0.00 52.86 51.53 2wkd s ASN 77 Cb -0.13 -0.49 -0.08 0.00 0.41 0.00 0.00 41.25 40.96 2wkd s ASN 77 CO -0.10 0.24 1.23 -0.36 -1.51 0.00 0.00 177.10 176.60 2wkd s PHE 78 N -0.33 2.91 -0.15 2.20 0.40 -0.58 -0.50 117.98 121.94 2wkd s PHE 78 Ca 0.03 1.49 -0.00 0.00 -0.60 0.00 0.00 56.93 57.85 2wkd s PHE 78 Cb -0.10 -3.52 -0.01 0.00 0.51 0.00 0.00 43.02 39.90 2wkd s PHE 78 CO 0.01 -1.71 -0.14 0.08 0.70 0.00 0.00 175.22 174.16 2wkd s VAL 79 N -1.36 2.82 -1.52 -0.44 1.01 0.14 -4.66 120.40 116.39 2wkd s VAL 79 Ca 0.58 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 2wkd s VAL 79 Cb -0.34 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 33.85 2wkd s VAL 79 CO 0.43 0.51 0.09 0.49 0.00 0.00 0.00 175.10 176.62 2wkd n PHE 80 N 3.91 -1.34 -2.02 5.22 3.01 -1.26 -3.84 117.46 121.14 2wkd n PHE 80 Ca -0.19 0.63 -0.36 0.00 1.01 0.00 0.00 57.45 58.55 2wkd n PHE 80 Cb 0.52 -3.00 0.03 0.00 -0.01 0.00 0.00 39.48 37.03 2wkd n PHE 80 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2wkd s PRO 81 N -7.22 2.99 -0.10 -1.08 0.04 -1.26 -4.87 135.00 123.50 2wkd s PRO 81 Ca 0.01 1.82 -0.18 0.00 0.04 0.00 0.00 61.00 62.69 2wkd s PRO 81 Cb -0.00 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2wkd s PRO 81 CO 0.98 -1.19 0.47 0.99 0.04 0.00 0.00 177.00 178.28 2wkd s THR 82 N -1.60 5.15 -0.13 1.26 2.01 0.27 -4.95 115.64 117.65 2wkd s THR 82 Ca 0.77 0.94 0.02 0.00 0.31 0.00 0.00 61.69 63.74 2wkd s THR 82 Cb -0.30 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.42 2wkd s THR 82 CO 0.33 0.37 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.74 2wkd s VAL 83 N 0.36 1.86 -0.04 3.82 1.01 -1.26 -1.28 120.40 124.87 2wkd s VAL 83 Ca 0.26 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.44 2wkd s VAL 83 Cb -0.15 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2wkd s VAL 83 CO 0.11 0.51 -0.22 -1.61 0.00 0.00 0.00 175.10 173.89 2wkd s GLU 84 N 0.93 2.15 0.15 2.72 2.02 -0.60 -4.96 118.70 121.10 2wkd s GLU 84 Ca -0.06 -0.80 -0.30 0.00 0.02 0.00 0.00 54.97 53.83 2wkd s GLU 84 Cb -0.15 -1.89 -0.07 0.00 0.10 0.00 0.00 34.13 32.12 2wkd s GLU 84 CO -0.03 0.37 1.15 0.21 0.02 0.00 0.00 175.26 176.99 2wkd s LYS 85 N -0.20 4.52 -0.13 1.61 2.20 -1.26 -0.33 119.74 126.14 2wkd s LYS 85 Ca -0.00 1.78 -0.05 0.00 -0.36 0.00 0.00 55.97 57.33 2wkd s LYS 85 Cb -0.12 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 2wkd s LYS 85 CO 0.02 -0.07 0.06 0.08 -0.36 0.00 0.00 175.35 175.08 2wkd s VAL 86 N 0.17 4.80 -0.08 4.02 1.01 0.20 -4.90 120.40 125.62 2wkd s VAL 86 Ca 0.53 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 2wkd s VAL 86 Cb -0.30 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2wkd s VAL 86 CO 0.34 0.55 -0.03 -0.36 0.00 0.00 0.00 175.10 175.60 2wkd s PHE 87 N -0.44 3.06 -0.25 5.22 0.08 -1.26 -4.42 117.98 119.97 2wkd s PHE 87 Ca 0.10 0.10 0.02 0.00 0.12 0.00 0.00 56.93 57.27 2wkd s PHE 87 Cb -0.12 -1.76 0.02 0.00 -0.57 0.00 0.00 43.02 40.59 2wkd s PHE 87 CO 0.02 0.39 0.56 -0.89 -0.10 0.00 0.00 175.22 175.21