#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wkk s LEU 2 N 0.00 4.26 0.11 -0.89 2.96 -1.26 -0.62 118.68 123.23 2wkk s LEU 2 Ca 0.00 0.61 0.08 0.00 -0.22 0.00 0.00 54.13 54.60 2wkk s LEU 2 Cb 0.00 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 2wkk s LEU 2 CO 0.00 0.07 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.58 2wkk s TYR 3 N 0.49 1.82 -0.36 5.38 1.51 0.58 -5.00 117.35 121.78 2wkk s TYR 3 Ca 0.20 -0.42 -0.07 0.00 -1.01 0.00 0.00 57.07 55.77 2wkk s TYR 3 Cb -0.14 -0.99 0.05 0.00 -0.11 0.00 0.00 41.96 40.77 2wkk s TYR 3 CO 0.06 0.22 0.14 -1.01 -1.11 0.00 0.00 175.55 173.85 2wkk s HIS 4 N -1.22 3.28 -0.39 2.71 3.76 -1.26 -1.28 115.29 120.88 2wkk s HIS 4 Ca 0.07 -1.44 -0.15 0.00 -0.15 0.00 0.00 55.06 53.39 2wkk s HIS 4 Cb -0.10 -2.43 0.01 0.00 1.11 0.00 0.00 32.58 31.17 2wkk s HIS 4 CO 0.04 -0.75 0.29 -1.17 -0.85 0.00 0.00 174.74 172.31 2wkk s LEU 5 N 1.41 4.96 0.35 0.89 2.96 -0.78 -4.92 118.68 123.55 2wkk s LEU 5 Ca -0.00 -0.77 -0.11 0.00 -0.22 0.00 0.00 54.13 53.03 2wkk s LEU 5 Cb -0.20 -2.17 -0.07 0.00 0.50 0.00 0.00 46.19 44.25 2wkk s LEU 5 CO 0.03 -0.40 0.71 -0.36 -1.32 0.00 0.00 176.35 175.00 2wkk s PHE 6 N 1.71 3.44 0.34 5.38 0.40 -1.26 -0.96 117.98 127.03 2wkk s PHE 6 Ca 0.06 1.02 -0.29 0.00 -0.60 0.00 0.00 56.93 57.11 2wkk s PHE 6 Cb -0.19 -2.40 -0.12 0.00 0.51 0.00 0.00 43.02 40.83 2wkk s PHE 6 CO 0.10 0.02 1.49 0.28 0.70 0.00 0.00 175.22 177.82 2wkk n VAL 7 N -0.88 1.63 -3.63 -0.44 0.31 -1.26 -2.41 118.33 111.65 2wkk n VAL 7 Ca 0.02 -0.41 -0.24 0.00 -0.01 0.00 0.00 64.34 63.70 2wkk n VAL 7 Cb 0.54 -1.89 0.07 0.00 -0.91 0.00 0.00 33.84 31.65 2wkk n VAL 7 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2wkk n ASN 8 N 1.13 -5.36 -1.77 4.52 3.02 0.17 -4.97 115.26 112.00 2wkk n ASN 8 Ca 0.05 -0.60 -0.05 0.00 -0.03 0.00 0.00 54.58 53.95 2wkk n ASN 8 Cb 0.37 -4.82 -0.00 0.00 -0.61 0.00 0.00 39.78 34.72 2wkk n ASN 8 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wkk n ASN 9 N -3.01 -0.73 -3.94 6.41 4.05 -1.01 -5.02 115.26 112.02 2wkk n ASN 9 Ca -0.04 -1.71 -0.09 0.00 0.45 0.00 0.00 54.58 53.19 2wkk n ASN 9 Cb 0.57 1.28 -0.06 0.00 1.23 0.00 0.00 39.78 42.80 2wkk n ASN 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2wkk s GLN 10 N -2.19 1.32 -0.07 1.20 -2.07 -1.26 -1.66 119.66 114.92 2wkk s GLN 10 Ca 0.09 -1.16 0.04 0.00 -1.82 0.00 0.00 55.36 52.52 2wkk s GLN 10 Cb -0.01 0.43 -0.00 0.00 -1.09 0.00 0.00 33.01 32.33 2wkk s GLN 10 CO 0.07 -0.52 -0.22 0.14 -1.32 0.00 0.00 175.29 173.44 2wkk s VAL 11 N -3.97 1.83 -0.19 3.63 -7.23 -0.04 -4.82 120.40 109.61 2wkk s VAL 11 Ca 0.18 -0.91 -0.26 0.00 -1.81 0.00 0.00 61.98 59.18 2wkk s VAL 11 Cb 0.01 -1.58 -0.01 0.00 0.56 0.00 0.00 36.38 35.37 2wkk s VAL 11 CO 0.03 0.51 0.87 -0.75 -0.31 0.00 0.00 175.10 175.45 2wkk s LYS 12 N 0.20 4.27 0.37 4.82 2.20 -1.26 -1.81 119.74 128.52 2wkk s LYS 12 Ca -0.12 1.06 -0.25 0.00 -0.36 0.00 0.00 55.97 56.30 2wkk s LYS 12 Cb -0.16 -3.60 -0.09 0.00 -1.51 0.00 0.00 37.83 32.47 2wkk s LYS 12 CO 0.06 -0.42 1.05 -0.51 -0.36 0.00 0.00 175.35 175.17 2wkk s LEU 13 N 2.48 4.23 0.39 5.43 1.43 -0.10 -4.94 118.68 127.59 2wkk s LEU 13 Ca 0.38 2.07 0.15 0.00 -1.03 0.00 0.00 54.13 55.71 2wkk s LEU 13 Cb -0.16 -4.07 0.79 0.00 0.03 0.00 0.00 46.19 42.77 2wkk s LEU 13 CO 0.10 -0.41 1.83 -0.61 0.23 0.00 0.00 176.35 177.50 2wkk h GLN 14 N 2.77 0.00 -4.13 1.70 -0.00 -1.96 -3.45 115.11 110.05 2wkk h GLN 14 Ca -0.48 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.04 2wkk h GLN 14 Cb 1.21 0.00 -0.16 0.00 0.00 0.00 0.00 27.48 28.53 2wkk h GLN 14 CO 0.63 0.35 -0.66 -0.80 0.00 0.00 0.00 178.83 178.36 2wkk s ASN 15 N -6.77 0.39 0.33 -0.69 -0.87 -1.26 -5.13 114.94 100.94 2wkk s ASN 15 Ca -0.02 -0.84 -0.29 0.00 -1.57 0.00 0.00 52.86 50.14 2wkk s ASN 15 Cb 0.14 0.19 -0.12 0.00 -0.02 0.00 0.00 41.25 41.44 2wkk s ASN 15 CO 0.70 -0.53 1.49 0.47 -2.57 0.00 0.00 177.10 176.66 2wkk n ASP 16 N 0.49 3.59 -4.60 -1.22 9.92 -1.26 -4.91 116.55 118.55 2wkk n ASP 16 Ca -0.17 1.19 -0.43 0.00 -0.53 0.00 0.00 54.79 54.86 2wkk n ASP 16 Cb 0.60 -1.58 -0.04 0.00 -0.64 0.00 0.00 41.12 39.46 2wkk n ASP 16 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2wkk s PHE 17 N -0.67 3.07 0.30 1.24 5.36 0.06 -4.93 117.98 122.42 2wkk s PHE 17 Ca 0.58 0.75 0.00 0.00 -0.96 0.00 0.00 56.93 57.30 2wkk s PHE 17 Cb -0.51 -3.66 0.00 0.00 -0.34 0.00 0.00 43.02 38.51 2wkk s PHE 17 CO 0.57 -0.84 0.39 0.36 -1.46 0.00 0.00 175.22 174.24 2wkk n LYS 18 N 6.79 0.56 -1.59 10.12 2.85 -1.26 -1.38 118.16 134.25 2wkk n LYS 18 Ca 0.07 -2.55 -0.47 0.00 -1.05 0.00 0.00 58.31 54.31 2wkk n LYS 18 Cb 0.48 2.37 -0.03 0.00 -0.65 0.00 0.00 35.03 37.19 2wkk n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2wkk n PRO 19 N -0.52 1.28 0.00 -1.58 -0.02 -1.26 -0.41 135.00 132.49 2wkk n PRO 19 Ca 0.02 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2wkk n PRO 19 Cb 0.52 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2wkk n PRO 19 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wkk n GLU 20 N 1.48 0.00 -2.17 -0.52 -0.58 0.34 -4.98 120.64 114.22 2wkk n GLU 20 Ca 0.13 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.51 2wkk n GLU 20 Cb 0.27 -0.69 0.00 0.00 -0.57 0.00 0.00 31.44 30.46 2wkk n GLU 20 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2wkk s SER 21 N -1.75 5.84 -0.05 1.62 0.01 0.45 -3.68 113.70 116.14 2wkk s SER 21 Ca 0.00 2.35 0.02 0.00 1.31 0.00 0.00 55.95 59.62 2wkk s SER 21 Cb 0.00 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.64 2wkk s SER 21 CO 0.00 -1.15 -0.08 -0.69 0.41 0.00 0.00 173.24 171.73 2wkk s VAL 22 N -1.57 0.81 -0.23 3.43 1.01 -0.42 -1.59 120.40 121.85 2wkk s VAL 22 Ca 0.68 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.36 2wkk s VAL 22 Cb -0.29 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.34 2wkk s VAL 22 CO 0.34 0.28 -0.12 0.00 0.00 0.00 0.00 175.10 175.61 2wkk s ALA 23 N 0.71 2.56 -0.42 5.51 0.00 0.36 -0.25 121.76 130.23 2wkk s ALA 23 Ca -0.12 -1.42 -0.10 0.00 0.00 0.00 0.00 51.96 50.32 2wkk s ALA 23 Cb -0.14 -1.50 0.08 0.00 0.00 0.00 0.00 23.12 21.55 2wkk s ALA 23 CO 0.02 -0.71 0.28 0.00 0.00 0.00 0.00 175.76 175.35 2wkk s ALA 24 N 1.28 3.33 -0.21 0.00 0.00 0.11 -1.05 121.76 125.22 2wkk s ALA 24 Ca 0.00 -2.13 -0.13 0.00 0.00 0.00 0.00 51.96 49.71 2wkk s ALA 24 Cb -0.16 -2.71 -0.05 0.00 0.00 0.00 0.00 23.12 20.20 2wkk s ALA 24 CO -0.07 -1.65 0.25 0.42 0.00 0.00 0.00 175.76 174.70 2wkk s ILE 25 N 1.46 5.31 -0.03 0.00 1.01 0.46 -1.56 121.20 127.85 2wkk s ILE 25 Ca 0.03 0.40 0.02 0.00 0.00 0.00 0.00 60.65 61.10 2wkk s ILE 25 Cb -0.23 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.66 2wkk s ILE 25 CO 0.03 0.34 -0.08 -0.13 0.00 0.00 0.00 174.94 175.10 2wkk s ARG 26 N 0.91 0.96 -0.05 2.79 0.52 0.60 -1.15 118.95 123.52 2wkk s ARG 26 Ca 0.12 -0.27 -0.03 0.00 -0.52 0.00 0.00 55.73 55.03 2wkk s ARG 26 Cb -0.13 -0.89 -0.04 0.00 0.52 0.00 0.00 34.95 34.41 2wkk s ARG 26 CO 0.04 0.07 0.11 0.45 0.02 0.00 0.00 175.30 176.00 2wkk s SER 27 N 0.33 5.97 0.00 0.23 0.15 -0.55 -0.84 113.70 119.00 2wkk s SER 27 Ca -0.05 0.29 0.29 0.00 0.70 0.00 0.00 55.95 57.17 2wkk s SER 27 Cb -0.10 -1.82 1.28 0.00 -1.71 0.00 0.00 66.02 63.68 2wkk s SER 27 CO 0.01 0.33 1.89 -1.54 1.20 0.00 0.00 173.24 175.12 2wkk n SER 28 N 1.50 0.51 -3.91 5.45 3.41 -1.26 -3.91 113.62 115.41 2wkk n SER 28 Ca -0.15 -0.70 -0.09 0.00 -0.26 0.00 0.00 58.87 57.66 2wkk n SER 28 Cb 0.53 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 2wkk n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wkk s ALA 29 N -2.38 -0.32 -0.11 7.33 0.00 -1.10 -4.74 121.76 120.43 2wkk s ALA 29 Ca 0.32 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 2wkk s ALA 29 Cb 0.20 0.92 0.04 0.00 0.00 0.00 0.00 23.12 24.28 2wkk s ALA 29 CO 0.45 -0.75 0.03 0.12 0.00 0.00 0.00 175.76 175.62 2wkk s PHE 30 N -3.95 0.56 -0.65 0.00 5.36 -1.22 -4.07 117.98 114.00 2wkk s PHE 30 Ca 0.16 -0.28 -0.15 0.00 -0.96 0.00 0.00 56.93 55.71 2wkk s PHE 30 Cb 0.01 -0.78 0.17 0.00 -0.34 0.00 0.00 43.02 42.08 2wkk s PHE 30 CO 0.02 -0.40 0.60 1.21 -1.46 0.00 0.00 175.22 175.19 2wkk s ASN 31 N 2.01 6.40 0.40 6.13 2.47 0.52 -4.93 114.94 127.94 2wkk s ASN 31 Ca 0.03 -2.17 0.28 0.00 0.42 0.00 0.00 52.86 51.42 2wkk s ASN 31 Cb -0.14 -2.20 1.38 0.00 -1.45 0.00 0.00 41.25 38.84 2wkk s ASN 31 CO -0.06 -0.73 1.85 0.77 -3.72 0.00 0.00 177.10 175.21 2wkk h SER 32 N 8.41 0.00 -0.15 -4.21 4.64 -1.94 0.13 113.55 120.43 2wkk h SER 32 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2wkk h SER 32 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2wkk h SER 32 CO 0.91 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 177.16 2wkk n LYS 33 N -2.53 1.61 -0.85 4.77 5.02 -1.26 -4.96 118.16 119.96 2wkk n LYS 33 Ca -0.00 -0.92 -0.30 0.00 -2.02 0.00 0.00 58.31 55.07 2wkk n LYS 33 Cb 0.14 -1.37 0.18 0.00 -0.02 0.00 0.00 35.03 33.96 2wkk n LYS 33 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2wkk s GLY 34 N -1.53 1.62 0.00 0.72 0.00 0.45 -5.05 107.32 103.52 2wkk s GLY 34 Ca 0.31 0.14 0.00 0.00 0.00 0.00 0.00 44.72 45.16 2wkk s GLY 34 CO 0.25 0.67 0.00 0.61 0.00 0.00 0.00 173.10 174.62 2wkk n GLY 35 N -0.14 2.89 3.66 0.20 0.00 0.92 -4.76 105.19 107.97 2wkk n GLY 35 Ca 0.07 -2.10 -0.46 0.00 0.00 0.00 0.00 46.02 43.53 2wkk n GLY 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wkk n THR 36 N -0.41 0.01 -4.41 2.61 -1.04 -1.26 -4.28 114.28 105.50 2wkk n THR 36 Ca 0.00 -0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 2wkk n THR 36 Cb 0.00 -1.48 -0.17 0.00 -1.82 0.00 0.00 70.33 66.87 2wkk n THR 36 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2wkk s THR 37 N 0.90 0.96 -0.04 12.58 2.01 -0.14 -4.32 115.64 127.59 2wkk s THR 37 Ca 0.79 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 62.49 2wkk s THR 37 Cb -0.70 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.89 2wkk s THR 37 CO 0.39 0.32 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.73 2wkk s VAL 38 N 0.83 1.81 -0.06 3.82 1.01 -0.37 -0.54 120.40 126.89 2wkk s VAL 38 Ca -0.12 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 60.98 2wkk s VAL 38 Cb -0.15 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2wkk s VAL 38 CO 0.02 0.51 -0.24 -0.36 0.00 0.00 0.00 175.10 175.02 2wkk s PHE 39 N -0.21 2.47 -0.04 5.22 0.40 -0.52 -0.99 117.98 124.31 2wkk s PHE 39 Ca -0.00 -0.72 0.05 0.00 -0.60 0.00 0.00 56.93 55.66 2wkk s PHE 39 Cb -0.12 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 2wkk s PHE 39 CO 0.02 -0.22 -0.20 -0.80 0.70 0.00 0.00 175.22 174.72 2wkk s ASN 40 N -0.14 2.50 -0.29 1.36 0.01 -0.21 -0.69 114.94 117.48 2wkk s ASN 40 Ca -0.04 -0.41 -0.11 0.00 -0.71 0.00 0.00 52.86 51.59 2wkk s ASN 40 Cb -0.14 -0.61 -0.04 0.00 0.41 0.00 0.00 41.25 40.87 2wkk s ASN 40 CO 0.04 0.20 0.20 -0.36 -1.51 0.00 0.00 177.10 175.67 2wkk s PHE 41 N -0.14 3.22 -0.04 2.20 0.40 0.26 -0.54 117.98 123.35 2wkk s PHE 41 Ca -0.01 0.06 0.03 0.00 -0.60 0.00 0.00 56.93 56.41 2wkk s PHE 41 Cb -0.11 -2.40 -0.03 0.00 0.51 0.00 0.00 43.02 40.99 2wkk s PHE 41 CO 0.02 -0.20 -0.12 -0.51 0.70 0.00 0.00 175.22 175.11 2wkk s LEU 42 N 1.75 2.85 0.89 -0.37 1.43 -0.14 -0.48 118.68 124.62 2wkk s LEU 42 Ca 0.07 -0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 52.86 2wkk s LEU 42 Cb -0.16 -1.60 0.14 0.00 0.03 0.00 0.00 46.19 44.59 2wkk s LEU 42 CO 0.11 0.34 1.21 -0.94 0.23 0.00 0.00 176.35 177.29 2wkk s SER 43 N -0.85 3.73 0.48 2.29 1.04 -0.25 0.42 113.70 120.55 2wkk s SER 43 Ca 0.12 0.67 0.13 0.00 0.48 0.00 0.00 55.95 57.36 2wkk s SER 43 Cb -0.11 -1.04 1.12 0.00 0.10 0.00 0.00 66.02 66.10 2wkk s SER 43 CO 0.02 -2.38 2.10 0.00 0.98 0.00 0.00 173.24 173.95 2wkk h ALA 44 N -1.39 1.94 -0.14 5.32 0.00 -1.91 -0.33 119.26 122.74 2wkk h ALA 44 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2wkk h ALA 44 Cb 1.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2wkk h ALA 44 CO 0.56 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.26 2wkk n GLY 45 N -1.52 -0.25 2.27 0.00 0.00 -1.26 -4.89 105.19 99.53 2wkk n GLY 45 Ca 0.01 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 2wkk n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wkk n GLU 46 N -0.08 -0.82 -2.61 1.61 1.02 -0.13 -4.71 120.64 114.91 2wkk n GLU 46 Ca 0.09 0.72 -0.40 0.00 -0.02 0.00 0.00 57.16 57.55 2wkk n GLU 46 Cb 0.16 -4.76 -0.05 0.00 -0.02 0.00 0.00 31.44 26.78 2wkk n GLU 46 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2wkk s ASN 47 N -2.70 7.43 -0.71 1.62 0.01 -1.26 -3.80 114.94 115.54 2wkk s ASN 47 Ca 0.00 2.06 -0.22 0.00 -0.71 0.00 0.00 52.86 53.98 2wkk s ASN 47 Cb 0.00 -2.61 0.08 0.00 0.41 0.00 0.00 41.25 39.13 2wkk s ASN 47 CO 0.00 -0.04 1.01 -0.63 -1.51 0.00 0.00 177.10 175.92 2wkk s ILE 48 N -0.81 4.36 0.09 0.60 1.01 0.61 -1.09 121.20 125.96 2wkk s ILE 48 Ca 0.45 -0.54 -0.15 0.00 0.00 0.00 0.00 60.65 60.41 2wkk s ILE 48 Cb -0.28 -4.71 -0.11 0.00 0.01 0.00 0.00 42.46 37.37 2wkk s ILE 48 CO 0.35 -1.49 1.37 -0.07 0.00 0.00 0.00 174.94 175.11 2wkk h LEU 49 N 11.28 0.73 -7.34 2.97 3.38 -1.03 -1.77 115.31 123.54 2wkk h LEU 49 Ca -0.21 -0.52 -0.36 0.00 0.09 0.00 0.00 57.88 56.88 2wkk h LEU 49 Cb 1.06 -0.21 -0.38 0.00 0.09 0.00 0.00 40.66 41.22 2wkk h LEU 49 CO 1.18 1.11 -0.74 -0.22 0.09 0.00 0.00 178.44 179.86 2wkk s LEU 50 N -8.86 0.25 -0.16 1.67 2.96 -1.16 -4.65 118.68 108.74 2wkk s LEU 50 Ca -0.12 0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.84 2wkk s LEU 50 Cb 0.08 -0.14 -0.02 0.00 0.50 0.00 0.00 46.19 46.61 2wkk s LEU 50 CO 0.83 -0.24 -0.09 -2.28 -1.32 0.00 0.00 176.35 173.26 2wkk s HIS 51 N 2.05 2.89 -0.25 5.38 5.65 0.06 -0.57 115.29 130.50 2wkk s HIS 51 Ca 0.03 -0.64 0.03 0.00 0.25 0.00 0.00 55.06 54.73 2wkk s HIS 51 Cb -0.12 -1.93 0.06 0.00 -1.18 0.00 0.00 32.58 29.41 2wkk s HIS 51 CO -0.03 -0.25 -0.10 0.42 -0.65 0.00 0.00 174.74 174.12 2wkk s ILE 52 N 0.61 2.06 -0.35 0.89 1.01 0.13 -2.21 121.20 123.34 2wkk s ILE 52 Ca -0.05 -1.56 -0.05 0.00 0.00 0.00 0.00 60.65 58.98 2wkk s ILE 52 Cb -0.15 -2.19 0.06 0.00 0.01 0.00 0.00 42.46 40.18 2wkk s ILE 52 CO 0.03 -0.03 0.12 -0.55 0.00 0.00 0.00 174.94 174.50 2wkk s SER 53 N 1.15 5.26 -0.35 3.58 0.15 0.23 -1.44 113.70 122.29 2wkk s SER 53 Ca -0.08 -1.35 -0.16 0.00 0.70 0.00 0.00 55.95 55.06 2wkk s SER 53 Cb -0.20 -1.85 -0.01 0.00 -1.71 0.00 0.00 66.02 62.26 2wkk s SER 53 CO -0.05 -0.37 0.40 -0.63 1.20 0.00 0.00 173.24 173.78 2wkk s ILE 54 N 1.33 5.13 -0.53 6.45 1.01 0.30 -0.73 121.20 134.17 2wkk s ILE 54 Ca -0.00 0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.75 2wkk s ILE 54 Cb -0.21 -3.87 0.14 0.00 0.01 0.00 0.00 42.46 38.53 2wkk s ILE 54 CO 0.01 -0.15 0.29 -0.13 0.00 0.00 0.00 174.94 174.96 2wkk s ARG 55 N 2.10 1.87 0.27 2.79 0.52 0.12 -0.96 118.95 125.65 2wkk s ARG 55 Ca 0.13 -2.58 -0.04 0.00 -0.52 0.00 0.00 55.73 52.72 2wkk s ARG 55 Cb -0.16 -3.07 0.35 0.00 0.52 0.00 0.00 34.95 32.59 2wkk s ARG 55 CO 0.12 -1.15 1.94 -1.35 0.02 0.00 0.00 175.30 174.88 2wkk h PRO 56 N 6.37 1.19 -0.02 3.54 0.11 -1.83 0.15 132.00 141.50 2wkk h PRO 56 Ca -0.02 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 65.93 2wkk h PRO 56 Cb 0.88 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 2wkk h PRO 56 CO 0.64 0.80 -0.32 0.78 -0.21 0.00 0.00 178.00 179.69 2wkk h GLY 57 N 1.23 0.04 -0.37 -0.55 0.00 -1.93 -2.14 103.07 99.35 2wkk h GLY 57 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2wkk h GLY 57 CO -0.07 0.03 -0.45 1.18 0.00 0.00 0.00 176.54 177.23 2wkk n GLU 58 N -4.14 0.90 -3.58 4.80 1.02 -0.96 -4.97 120.64 113.71 2wkk n GLU 58 Ca -0.02 -0.67 -0.26 0.00 -0.02 0.00 0.00 57.16 56.19 2wkk n GLU 58 Cb 0.37 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.36 2wkk n GLU 58 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2wkk n ASN 59 N -0.46 -5.68 -4.07 1.62 5.15 -0.00 -4.98 115.26 106.85 2wkk n ASN 59 Ca 0.10 -0.56 -0.10 0.00 -0.60 0.00 0.00 54.58 53.42 2wkk n ASN 59 Cb 0.41 -4.52 -0.11 0.00 -0.53 0.00 0.00 39.78 35.03 2wkk n ASN 59 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2wkk s VAL 60 N -3.26 0.34 -0.13 3.44 -7.23 -0.99 -1.78 120.40 110.79 2wkk s VAL 60 Ca 0.55 -1.42 0.01 0.00 -1.81 0.00 0.00 61.98 59.31 2wkk s VAL 60 Cb -0.26 -0.99 -0.01 0.00 0.56 0.00 0.00 36.38 35.69 2wkk s VAL 60 CO 0.68 -0.70 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.98 2wkk s ILE 61 N -2.61 2.72 -0.13 -0.62 1.01 0.30 -0.70 121.20 121.17 2wkk s ILE 61 Ca -0.02 -0.77 -0.00 0.00 0.00 0.00 0.00 60.65 59.85 2wkk s ILE 61 Cb -0.02 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 2wkk s ILE 61 CO -0.04 0.53 -0.12 -0.69 0.00 0.00 0.00 174.94 174.62 2wkk s VAL 62 N 0.53 3.16 -0.06 2.92 1.01 0.09 -1.57 120.40 126.48 2wkk s VAL 62 Ca -0.10 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2wkk s VAL 62 Cb -0.16 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2wkk s VAL 62 CO 0.04 0.52 -0.09 -0.36 0.00 0.00 0.00 175.10 175.22 2wkk s PHE 63 N 0.29 2.87 0.29 5.22 0.40 -0.09 -0.60 117.98 126.36 2wkk s PHE 63 Ca -0.09 -0.04 -0.19 0.00 -0.60 0.00 0.00 56.93 56.02 2wkk s PHE 63 Cb -0.15 -1.69 0.06 0.00 0.51 0.00 0.00 43.02 41.75 2wkk s PHE 63 CO 0.05 0.28 0.88 1.21 0.70 0.00 0.00 175.22 178.35 2wkk s ASN 64 N -0.77 -0.03 0.04 1.36 3.84 -0.94 -1.51 114.94 116.94 2wkk s ASN 64 Ca 0.12 -0.90 -0.08 0.00 0.21 0.00 0.00 52.86 52.21 2wkk s ASN 64 Cb -0.11 0.70 -0.00 0.00 -0.55 0.00 0.00 41.25 41.29 2wkk s ASN 64 CO 0.01 -1.38 0.15 -0.44 -2.79 0.00 0.00 177.10 172.66 2wkk s SER 65 N -3.17 0.11 0.03 -4.21 0.01 -1.26 -0.76 113.70 104.46 2wkk s SER 65 Ca 0.17 -0.47 -0.26 0.00 1.31 0.00 0.00 55.95 56.69 2wkk s SER 65 Cb -0.04 0.27 0.06 0.00 0.21 0.00 0.00 66.02 66.52 2wkk s SER 65 CO 0.08 -0.56 0.61 0.00 0.41 0.00 0.00 173.24 173.78 2wkk s ARG 66 N -2.76 1.10 0.79 12.44 1.70 -0.67 -2.91 118.95 128.65 2wkk s ARG 66 Ca -0.04 -0.08 -0.11 0.00 -0.47 0.00 0.00 55.73 55.04 2wkk s ARG 66 Cb -0.00 0.51 0.06 0.00 -0.57 0.00 0.00 34.95 34.95 2wkk s ARG 66 CO -0.05 -0.40 1.09 -0.51 -1.08 0.00 0.00 175.30 174.34 2wkk s LEU 67 N -1.82 2.75 0.25 -1.89 1.43 -1.26 -0.29 118.68 117.85 2wkk s LEU 67 Ca -0.06 1.53 -0.09 0.00 -1.03 0.00 0.00 54.13 54.48 2wkk s LEU 67 Cb -0.01 -4.19 0.40 0.00 0.03 0.00 0.00 46.19 42.43 2wkk s LEU 67 CO 0.01 -1.99 1.61 0.50 0.23 0.00 0.00 176.35 176.71 2wkk h LYS 68 N -1.10 0.04 -0.51 1.70 3.64 -1.84 -0.12 116.57 118.38 2wkk h LYS 68 Ca -0.46 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2wkk h LYS 68 Cb 1.25 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2wkk h LYS 68 CO 0.56 0.03 0.00 0.09 -2.27 0.00 0.00 179.45 177.86 2wkk n ASN 69 N -5.44 3.77 -4.99 4.20 3.02 -1.26 -5.00 115.26 109.56 2wkk n ASN 69 Ca 0.13 -2.23 -0.19 0.00 -0.03 0.00 0.00 54.58 52.26 2wkk n ASN 69 Cb 0.45 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 2wkk n ASN 69 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2wkk s GLY 70 N -1.09 1.67 0.54 7.41 0.00 -0.06 -5.10 107.32 110.70 2wkk s GLY 70 Ca 0.39 -1.46 -0.18 0.00 0.00 0.00 0.00 44.72 43.48 2wkk s GLY 70 CO 0.22 -1.34 1.03 0.00 0.00 0.00 0.00 173.10 173.01 2wkk s ALA 71 N -2.27 2.86 0.63 3.20 0.00 -1.26 -4.65 121.76 120.27 2wkk s ALA 71 Ca 0.48 0.43 -0.18 0.00 0.00 0.00 0.00 51.96 52.69 2wkk s ALA 71 Cb -0.10 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 2wkk s ALA 71 CO 0.32 -0.49 1.23 -1.58 0.00 0.00 0.00 175.76 175.24 2wkk s TRP 72 N -2.31 2.26 0.00 0.00 0.52 -1.26 -4.57 118.94 113.58 2wkk s TRP 72 Ca 0.64 1.52 0.00 0.00 0.02 0.00 0.00 56.10 58.28 2wkk s TRP 72 Cb -0.15 -3.52 0.00 0.00 -1.15 0.00 0.00 33.47 28.65 2wkk s TRP 72 CO 0.29 -2.44 0.00 0.41 0.02 0.00 0.00 176.95 175.23 2wkk n GLY 73 N 0.55 0.40 3.77 0.98 0.00 -1.14 -5.04 105.19 104.70 2wkk n GLY 73 Ca 0.14 -1.83 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 2wkk n GLY 73 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wkk s PRO 74 N 0.48 3.91 0.28 1.61 0.04 -1.26 -4.92 135.00 135.14 2wkk s PRO 74 Ca 0.00 1.72 -0.20 0.00 0.04 0.00 0.00 61.00 62.57 2wkk s PRO 74 Cb 0.00 -2.49 -0.09 0.00 0.04 0.00 0.00 34.50 31.96 2wkk s PRO 74 CO 0.00 -0.41 0.77 -1.21 0.04 0.00 0.00 177.00 176.20 2wkk s GLU 75 N -2.57 4.24 -0.22 4.56 2.02 -1.26 -4.77 118.70 120.69 2wkk s GLU 75 Ca 0.61 0.90 -0.01 0.00 0.02 0.00 0.00 54.97 56.49 2wkk s GLU 75 Cb -0.27 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.27 2wkk s GLU 75 CO 0.34 0.29 -0.11 -1.21 0.02 0.00 0.00 175.26 174.59 2wkk s GLU 76 N -2.31 2.94 0.05 1.61 2.02 -0.57 -4.98 118.70 117.46 2wkk s GLU 76 Ca 0.48 -0.89 0.07 0.00 0.02 0.00 0.00 54.97 54.65 2wkk s GLU 76 Cb -0.15 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.21 2wkk s GLU 76 CO 0.20 -0.31 -0.16 1.03 0.02 0.00 0.00 175.26 176.04 2wkk s ARG 77 N 1.32 2.11 0.13 1.61 0.52 -1.26 -0.91 118.95 122.47 2wkk s ARG 77 Ca 0.02 -0.97 0.01 0.00 -0.52 0.00 0.00 55.73 54.27 2wkk s ARG 77 Cb -0.15 -2.23 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 2wkk s ARG 77 CO -0.07 0.54 -0.01 0.96 0.02 0.00 0.00 175.30 176.74 2wkk s ILE 78 N -0.98 0.52 0.48 1.52 -4.36 -0.61 -4.99 121.20 112.78 2wkk s ILE 78 Ca 0.16 -1.94 -0.22 0.00 -0.26 0.00 0.00 60.65 58.39 2wkk s ILE 78 Cb -0.11 -1.93 -0.07 0.00 1.25 0.00 0.00 42.46 41.60 2wkk s ILE 78 CO 0.07 -0.63 1.17 -2.84 0.24 0.00 0.00 174.94 172.95 2wkk s PRO 79 N -3.92 3.64 0.02 0.37 0.02 -1.26 -0.54 135.00 133.32 2wkk s PRO 79 Ca 0.19 1.78 -0.17 0.00 0.02 0.00 0.00 61.00 62.82 2wkk s PRO 79 Cb 0.06 -2.32 -0.35 0.00 0.02 0.00 0.00 34.50 31.91 2wkk s PRO 79 CO -0.00 -0.65 0.97 -0.92 -0.33 0.00 0.00 177.00 176.07 2wkk h TYR 80 N 1.85 0.92 -4.01 6.54 3.20 -1.59 -3.40 116.97 120.48 2wkk h TYR 80 Ca -0.50 -0.67 -0.54 0.00 3.14 0.00 0.00 58.73 60.16 2wkk h TYR 80 Cb 1.25 -0.04 0.12 0.00 1.54 0.00 0.00 36.73 39.61 2wkk h TYR 80 CO 0.52 1.54 0.67 0.00 -1.64 0.00 0.00 178.16 179.25 2wkk s ALA 81 N -2.57 3.12 -0.88 1.82 0.00 -1.26 -3.27 121.76 118.71 2wkk s ALA 81 Ca -0.10 1.42 -0.04 0.00 0.00 0.00 0.00 51.96 53.24 2wkk s ALA 81 Cb 0.04 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2wkk s ALA 81 CO 0.93 -1.24 0.53 0.39 0.00 0.00 0.00 175.76 176.37 2wkk n GLU 82 N -0.43 -3.82 -0.01 0.00 1.02 -1.26 -4.91 120.64 111.23 2wkk n GLU 82 Ca 0.07 0.53 -0.01 0.00 -0.02 0.00 0.00 57.16 57.72 2wkk n GLU 82 Cb 0.43 -4.60 -0.01 0.00 -0.02 0.00 0.00 31.44 27.23 2wkk n GLU 82 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wkk n LYS 83 N -2.95 0.88 -4.42 3.49 4.76 -1.20 -4.44 118.16 114.27 2wkk n LYS 83 Ca -0.03 0.01 -0.34 0.00 -2.87 0.00 0.00 58.31 55.07 2wkk n LYS 83 Cb 0.56 -1.05 -0.10 0.00 -1.84 0.00 0.00 35.03 32.60 2wkk n LYS 83 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2wkk s PHE 84 N -2.05 3.09 -0.32 2.13 0.40 -1.26 -0.93 117.98 119.05 2wkk s PHE 84 Ca -0.03 0.13 -0.04 0.00 -0.60 0.00 0.00 56.93 56.39 2wkk s PHE 84 Cb 0.01 -1.75 0.04 0.00 0.51 0.00 0.00 43.02 41.83 2wkk s PHE 84 CO 0.06 0.43 0.05 0.50 0.70 0.00 0.00 175.22 176.97 2wkk s ARG 85 N -0.98 2.54 0.68 0.44 3.52 -1.26 -4.95 118.95 118.95 2wkk s ARG 85 Ca 0.14 -1.21 -0.14 0.00 -0.13 0.00 0.00 55.73 54.39 2wkk s ARG 85 Cb -0.11 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 29.96 2wkk s ARG 85 CO 0.03 -0.64 1.09 -2.14 -0.81 0.00 0.00 175.30 172.83 2wkk s PRO 86 N 1.33 2.80 0.00 5.12 0.02 -1.26 -2.28 135.00 140.73 2wkk s PRO 86 Ca -0.03 1.24 0.26 0.00 0.02 0.00 0.00 61.00 62.49 2wkk s PRO 86 Cb -0.20 -1.96 0.73 0.00 0.02 0.00 0.00 34.50 33.09 2wkk s PRO 86 CO 0.01 -1.23 1.56 -0.35 -0.33 0.00 0.00 177.00 176.66 2wkk n PRO 87 N -2.68 1.83 -3.32 5.54 -0.04 -1.26 -4.89 135.00 130.18 2wkk n PRO 87 Ca 0.09 -1.25 -0.26 0.00 -0.04 0.00 0.00 63.50 62.04 2wkk n PRO 87 Cb 0.53 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.44 2wkk n PRO 87 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wkk n ASN 88 N 0.51 3.05 -4.76 3.54 5.03 -1.20 -2.72 115.26 118.70 2wkk n ASN 88 Ca 0.17 -3.31 -0.31 0.00 0.87 0.00 0.00 54.58 52.00 2wkk n ASN 88 Cb 0.44 -0.65 0.10 0.00 -1.02 0.00 0.00 39.78 38.64 2wkk n ASN 88 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2wkk s PRO 89 N -2.32 2.13 0.06 3.52 0.04 -0.97 -4.65 135.00 132.81 2wkk s PRO 89 Ca 0.40 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.64 2wkk s PRO 89 Cb 0.17 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 2wkk s PRO 89 CO -0.04 -1.75 -0.00 -1.54 0.04 0.00 0.00 177.00 173.70 2wkk s SER 90 N -3.28 0.44 -0.03 6.66 1.04 -1.26 -1.48 113.70 115.79 2wkk s SER 90 Ca 0.62 -0.99 -0.00 0.00 0.48 0.00 0.00 55.95 56.06 2wkk s SER 90 Cb -0.18 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.19 2wkk s SER 90 CO 0.56 -0.62 0.01 -0.63 0.98 0.00 0.00 173.24 173.54 2wkk s ILE 91 N -3.93 0.14 -0.13 -1.02 1.01 -0.30 -4.05 121.20 112.92 2wkk s ILE 91 Ca 0.08 0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.91 2wkk s ILE 91 Cb 0.08 -0.27 0.01 0.00 0.01 0.00 0.00 42.46 42.29 2wkk s ILE 91 CO -0.09 0.16 -0.22 -0.89 0.00 0.00 0.00 174.94 173.89 2wkk s THR 92 N 1.29 2.05 -0.11 2.92 2.01 -0.08 -0.40 115.64 123.32 2wkk s THR 92 Ca -0.06 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 60.99 2wkk s THR 92 Cb -0.13 -1.80 -0.00 0.00 0.01 0.00 0.00 72.50 70.58 2wkk s THR 92 CO -0.02 0.55 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.55 2wkk s VAL 93 N 0.67 2.23 -0.05 3.82 1.01 -0.22 -0.62 120.40 127.24 2wkk s VAL 93 Ca -0.11 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 60.95 2wkk s VAL 93 Cb -0.16 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.35 2wkk s VAL 93 CO 0.01 0.55 -0.14 -0.63 0.00 0.00 0.00 175.10 174.90 2wkk s ILE 94 N 0.38 1.21 -0.37 2.22 1.01 0.01 -0.48 121.20 125.18 2wkk s ILE 94 Ca -0.17 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 59.71 2wkk s ILE 94 Cb -0.17 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.23 2wkk s ILE 94 CO 0.08 0.36 0.63 -0.62 0.00 0.00 0.00 174.94 175.39 2wkk s ASP 95 N 0.31 6.41 -0.26 3.58 -1.08 -0.62 -0.39 116.67 124.63 2wkk s ASP 95 Ca -0.08 0.07 0.13 0.00 -0.52 0.00 0.00 52.55 52.15 2wkk s ASP 95 Cb -0.13 -2.32 0.69 0.00 -1.46 0.00 0.00 42.92 39.70 2wkk s ASP 95 CO 0.03 -0.62 1.66 1.41 0.52 0.00 0.00 175.17 178.16 2wkk n HIS 96 N 6.07 1.81 0.00 -5.34 8.25 0.14 -0.50 115.22 125.65 2wkk n HIS 96 Ca -0.01 -1.00 0.00 0.00 -0.26 0.00 0.00 57.72 56.44 2wkk n HIS 96 Cb 0.48 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 31.08 2wkk n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wkk n GLY 97 N -0.11 2.05 0.01 -1.41 0.00 -1.26 -4.29 105.19 100.19 2wkk n GLY 97 Ca 0.31 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 46.10 2wkk n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wkk n ASP 98 N 3.86 0.68 -3.53 1.61 5.75 -1.26 -4.92 116.55 118.75 2wkk n ASP 98 Ca 0.00 -0.45 -0.12 0.00 -0.01 0.00 0.00 54.79 54.21 2wkk n ASP 98 Cb 0.00 0.71 -0.04 0.00 -1.03 0.00 0.00 41.12 40.77 2wkk n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wkk s ARG 99 N -3.09 1.15 0.02 0.11 1.70 -1.26 -1.35 118.95 116.24 2wkk s ARG 99 Ca 0.07 -0.50 -0.05 0.00 -0.47 0.00 0.00 55.73 54.78 2wkk s ARG 99 Cb 0.16 0.52 -0.05 0.00 -0.57 0.00 0.00 34.95 35.02 2wkk s ARG 99 CO 0.79 -0.47 0.25 -0.06 -1.08 0.00 0.00 175.30 174.74 2wkk s PHE 100 N -3.47 3.56 -0.16 5.89 0.40 0.14 -0.69 117.98 123.65 2wkk s PHE 100 Ca 0.00 0.49 -0.07 0.00 -0.60 0.00 0.00 56.93 56.76 2wkk s PHE 100 Cb 0.00 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 2wkk s PHE 100 CO -0.10 0.60 0.07 -1.14 0.70 0.00 0.00 175.22 175.35 2wkk s GLN 101 N -1.95 3.77 -0.12 0.44 0.74 0.48 -1.06 119.66 121.96 2wkk s GLN 101 Ca 0.29 -0.31 0.02 0.00 0.05 0.00 0.00 55.36 55.41 2wkk s GLN 101 Cb -0.13 -3.16 0.01 0.00 1.10 0.00 0.00 33.01 30.83 2wkk s GLN 101 CO 0.19 0.42 -0.17 0.42 -0.55 0.00 0.00 175.29 175.59 2wkk s ILE 102 N -0.03 1.67 -0.08 -2.34 1.09 0.54 -0.81 121.20 121.24 2wkk s ILE 102 Ca 0.07 -0.75 0.04 0.00 -1.10 0.00 0.00 60.65 58.91 2wkk s ILE 102 Cb -0.12 -1.50 -0.00 0.00 -1.06 0.00 0.00 42.46 39.77 2wkk s ILE 102 CO 0.01 0.47 -0.23 -0.13 -0.10 0.00 0.00 174.94 174.97 2wkk s ARG 103 N 0.89 2.68 0.00 2.79 0.52 0.20 -0.76 118.95 125.27 2wkk s ARG 103 Ca -0.08 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.31 2wkk s ARG 103 Cb -0.15 -2.12 0.00 0.00 0.52 0.00 0.00 34.95 33.20 2wkk s ARG 103 CO -0.01 0.23 0.00 1.19 0.02 0.00 0.00 175.30 176.73 2wkk n PHE 104 N 3.35 0.00 0.06 -0.53 3.01 -1.26 -0.90 117.46 121.18 2wkk n PHE 104 Ca -0.19 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.21 2wkk n PHE 104 Cb 0.53 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.89 2wkk n PHE 104 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2wkk h ASP 105 N 0.00 0.00 -3.80 4.37 3.32 -1.17 -3.47 116.42 115.67 2wkk h ASP 105 Ca 0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 2wkk h ASP 105 Cb 0.00 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.39 2wkk h ASP 105 CO 0.00 0.96 -0.74 -0.31 -1.72 0.00 0.00 179.24 177.43 2wkk s TYR 106 N -2.72 1.44 0.00 4.55 1.51 -0.62 -4.94 117.35 116.57 2wkk s TYR 106 Ca 0.01 -0.62 0.00 0.00 -1.01 0.00 0.00 57.07 55.44 2wkk s TYR 106 Cb 0.10 -0.72 0.00 0.00 -0.11 0.00 0.00 41.96 41.22 2wkk s TYR 106 CO 0.81 0.18 0.00 0.41 -1.11 0.00 0.00 175.55 175.85 2wkk n GLY 107 N 0.06 -0.49 3.83 0.71 0.00 -1.26 -4.67 105.19 103.38 2wkk n GLY 107 Ca -0.12 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 2wkk n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wkk s THR 108 N -1.71 3.59 0.60 2.61 -4.23 -1.26 -4.86 115.64 110.38 2wkk s THR 108 Ca 0.00 0.52 -0.18 0.00 -1.18 0.00 0.00 61.69 60.85 2wkk s THR 108 Cb 0.00 -3.35 -0.03 0.00 1.34 0.00 0.00 72.50 70.46 2wkk s THR 108 CO 0.00 -0.68 1.17 -0.44 -0.54 0.00 0.00 174.62 174.14 2wkk s SER 109 N -4.01 5.25 -0.12 3.99 0.01 -1.26 -4.82 113.70 112.73 2wkk s SER 109 Ca 0.59 2.27 -0.06 0.00 1.31 0.00 0.00 55.95 60.06 2wkk s SER 109 Cb -0.13 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 2wkk s SER 109 CO 0.54 -1.55 0.09 -0.63 0.41 0.00 0.00 173.24 172.10 2wkk s ILE 110 N -1.78 5.05 -0.07 1.44 1.09 0.06 -4.95 121.20 122.03 2wkk s ILE 110 Ca 0.74 0.04 0.03 0.00 -1.10 0.00 0.00 60.65 60.37 2wkk s ILE 110 Cb -0.27 -3.19 -0.02 0.00 -1.06 0.00 0.00 42.46 37.92 2wkk s ILE 110 CO 0.33 0.59 -0.17 -0.31 -0.10 0.00 0.00 174.94 175.28 2wkk s TYR 111 N -0.74 2.65 -0.20 3.97 1.51 -1.26 -0.34 117.35 122.94 2wkk s TYR 111 Ca 0.13 -0.47 -0.01 0.00 -1.01 0.00 0.00 57.07 55.70 2wkk s TYR 111 Cb -0.12 -1.68 0.06 0.00 -0.11 0.00 0.00 41.96 40.11 2wkk s TYR 111 CO 0.03 -0.05 -0.01 -0.47 -1.11 0.00 0.00 175.55 173.93 2wkk s TYR 112 N -0.25 1.64 0.32 2.71 5.04 -0.23 -4.97 117.35 121.61 2wkk s TYR 112 Ca 0.00 -1.20 -0.29 0.00 -2.44 0.00 0.00 57.07 53.14 2wkk s TYR 112 Cb -0.13 -1.27 -0.11 0.00 0.35 0.00 0.00 41.96 40.80 2wkk s TYR 112 CO 0.03 -0.66 1.46 -0.80 -1.34 0.00 0.00 175.55 174.23 2wkk s ASN 113 N 1.65 6.52 0.39 4.32 0.02 -1.26 -0.68 114.94 125.89 2wkk s ASN 113 Ca -0.02 2.86 -0.27 0.00 -1.02 0.00 0.00 52.86 54.41 2wkk s ASN 113 Cb -0.17 -2.65 -0.09 0.00 0.02 0.00 0.00 41.25 38.36 2wkk s ASN 113 CO -0.07 -0.76 1.33 -0.54 0.02 0.00 0.00 177.10 177.07 2wkk s LYS 114 N -1.34 4.05 -0.05 -0.60 1.02 -0.46 -4.87 119.74 117.50 2wkk s LYS 114 Ca 0.55 2.23 0.05 0.00 0.02 0.00 0.00 55.97 58.83 2wkk s LYS 114 Cb -0.44 -2.84 -0.08 0.00 -0.52 0.00 0.00 37.83 33.95 2wkk s LYS 114 CO 0.53 -0.45 0.05 0.54 -0.92 0.00 0.00 175.35 175.11 2wkk n ARG 115 N 0.29 2.31 -4.11 1.68 1.74 -1.26 -4.97 116.66 112.34 2wkk n ARG 115 Ca 0.03 -0.02 -0.33 0.00 -0.77 0.00 0.00 57.85 56.76 2wkk n ARG 115 Cb 0.43 -1.15 -0.16 0.00 -1.02 0.00 0.00 32.46 30.56 2wkk n ARG 115 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wkk s ILE 116 N -2.22 2.05 -1.30 0.55 1.01 -1.26 -5.05 121.20 114.97 2wkk s ILE 116 Ca -0.03 -1.01 -0.12 0.00 0.00 0.00 0.00 60.65 59.50 2wkk s ILE 116 Cb 0.02 -1.89 0.14 0.00 0.01 0.00 0.00 42.46 40.74 2wkk s ILE 116 CO 0.25 0.47 1.84 0.29 0.00 0.00 0.00 174.94 177.78 2wkk n LYS 117 N 4.61 3.39 -3.90 2.79 4.76 -1.26 -4.86 118.16 123.68 2wkk n LYS 117 Ca -0.20 -3.40 -0.10 0.00 -2.87 0.00 0.00 58.31 51.74 2wkk n LYS 117 Cb 0.49 -3.07 -0.09 0.00 -1.84 0.00 0.00 35.03 30.52 2wkk n LYS 117 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2wkk s GLU 118 N 1.50 0.64 0.58 1.97 2.02 -1.26 -5.17 118.70 118.98 2wkk s GLU 118 Ca 0.43 -0.74 -0.08 0.00 0.02 0.00 0.00 54.97 54.59 2wkk s GLU 118 Cb 0.07 0.26 -0.03 0.00 0.10 0.00 0.00 34.13 34.53 2wkk s GLU 118 CO -0.01 -0.17 0.94 -0.80 0.02 0.00 0.00 175.26 175.24 2wkk s ASN 119 N -2.19 6.06 0.01 -0.19 0.01 -1.26 -5.00 114.94 112.38 2wkk s ASN 119 Ca -0.04 1.13 -0.17 0.00 -0.71 0.00 0.00 52.86 53.07 2wkk s ASN 119 Cb -0.00 -2.23 -0.06 0.00 0.41 0.00 0.00 41.25 39.37 2wkk s ASN 119 CO -0.05 -0.86 0.48 0.00 -1.51 0.00 0.00 177.10 175.16 2wkk s ALA 120 N -3.04 3.63 -0.45 0.60 0.00 -0.48 -4.33 121.76 117.69 2wkk s ALA 120 Ca 0.53 -0.11 0.11 0.00 0.00 0.00 0.00 51.96 52.49 2wkk s ALA 120 Cb -0.11 -2.52 -0.13 0.00 0.00 0.00 0.00 23.12 20.37 2wkk s ALA 120 CO 0.50 0.39 0.44 0.00 0.00 0.00 0.00 175.76 177.08 2wkk n ALA 121 N 2.01 3.30 -3.16 0.00 0.00 0.17 -0.76 120.51 122.07 2wkk n ALA 121 Ca -0.12 -0.31 -0.12 0.00 0.00 0.00 0.00 53.44 52.89 2wkk n ALA 121 Cb 0.52 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.51 2wkk n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wkk s ALA 122 N -2.15 -1.09 -0.08 0.00 0.00 -0.88 -0.92 121.76 116.63 2wkk s ALA 122 Ca 0.03 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.30 2wkk s ALA 122 Cb 0.08 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.69 2wkk s ALA 122 CO 0.46 -0.54 -0.16 0.42 0.00 0.00 0.00 175.76 175.94 2wkk s ILE 123 N -2.91 1.48 0.25 0.00 1.01 -0.75 -0.96 121.20 119.31 2wkk s ILE 123 Ca -0.03 -0.67 0.11 0.00 0.00 0.00 0.00 60.65 60.06 2wkk s ILE 123 Cb 0.00 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 41.10 2wkk s ILE 123 CO -0.06 0.43 -0.11 0.00 0.00 0.00 0.00 174.94 175.21 2wkk s ALA 124 N 0.63 2.92 -0.10 9.38 0.00 0.30 -0.86 121.76 134.04 2wkk s ALA 124 Ca -0.14 -1.71 -0.03 0.00 0.00 0.00 0.00 51.96 50.07 2wkk s ALA 124 Cb -0.16 -0.54 0.05 0.00 0.00 0.00 0.00 23.12 22.47 2wkk s ALA 124 CO 0.04 0.32 0.14 -0.47 0.00 0.00 0.00 175.76 175.79 2wkk s TYR 125 N -2.24 -0.11 0.03 0.00 5.04 -0.67 -1.05 117.35 118.37 2wkk s TYR 125 Ca 0.29 0.41 0.03 0.00 -2.44 0.00 0.00 57.07 55.35 2wkk s TYR 125 Cb -0.06 -0.36 -0.02 0.00 0.35 0.00 0.00 41.96 41.87 2wkk s TYR 125 CO 0.16 -0.32 -0.09 0.54 -1.34 0.00 0.00 175.55 174.51 2wkk s ASN 126 N 2.26 0.98 -0.17 4.32 2.20 -0.16 0.44 114.94 124.81 2wkk s ASN 126 Ca 0.04 -0.45 -0.30 0.00 -0.94 0.00 0.00 52.86 51.20 2wkk s ASN 126 Cb -0.13 -0.01 0.13 0.00 -2.00 0.00 0.00 41.25 39.25 2wkk s ASN 126 CO -0.06 -0.11 1.04 0.00 -2.94 0.00 0.00 177.10 175.03 2wkk s ALA 127 N -1.05 -1.95 -0.04 3.54 0.00 -1.26 -1.24 121.76 119.76 2wkk s ALA 127 Ca -0.05 1.61 -0.00 0.00 0.00 0.00 0.00 51.96 53.52 2wkk s ALA 127 Cb -0.08 -0.77 -0.26 0.00 0.00 0.00 0.00 23.12 22.01 2wkk s ALA 127 CO 0.01 -0.31 0.68 0.93 0.00 0.00 0.00 175.76 177.06 2wkk h GLU 128 N 2.48 0.19 -2.05 0.00 5.08 -1.94 -3.44 114.58 114.89 2wkk h GLU 128 Ca -0.17 -0.32 -0.45 0.00 -1.00 0.00 0.00 59.36 57.41 2wkk h GLU 128 Cb 1.17 0.12 -0.33 0.00 0.50 0.00 0.00 28.75 30.21 2wkk h GLU 128 CO 0.30 0.99 -0.80 1.21 -1.00 0.00 0.00 179.01 179.70 2wkk s ASN 129 N -6.77 1.07 0.49 1.42 2.47 -1.26 -5.05 114.94 107.29 2wkk s ASN 129 Ca -0.11 -2.32 -0.23 0.00 0.42 0.00 0.00 52.86 50.61 2wkk s ASN 129 Cb 0.07 0.23 -0.07 0.00 -1.45 0.00 0.00 41.25 40.04 2wkk s ASN 129 CO 0.82 -0.19 1.31 -0.55 -3.72 0.00 0.00 177.10 174.77 2wkk s SER 130 N 0.70 5.77 0.54 -4.21 0.15 -1.26 -0.05 113.70 115.33 2wkk s SER 130 Ca 0.26 2.65 0.30 0.00 0.70 0.00 0.00 55.95 59.87 2wkk s SER 130 Cb -0.06 -2.63 1.53 0.00 -1.71 0.00 0.00 66.02 63.15 2wkk s SER 130 CO -0.10 -1.22 2.08 -0.07 1.20 0.00 0.00 173.24 175.13 2wkk h LEU 131 N 1.95 0.00 -9.84 3.45 3.38 -1.80 -3.42 115.31 109.03 2wkk h LEU 131 Ca -0.50 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.83 2wkk h LEU 131 Cb 1.27 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.90 2wkk h LEU 131 CO 0.59 0.09 -0.55 -0.36 0.09 0.00 0.00 178.44 178.31 2wkk s PHE 132 N -4.07 2.29 0.81 1.13 2.99 -1.26 -0.35 117.98 119.51 2wkk s PHE 132 Ca -0.02 -0.76 -0.10 0.00 0.00 0.00 0.00 56.93 56.04 2wkk s PHE 132 Cb 0.12 -1.75 0.08 0.00 0.00 0.00 0.00 43.02 41.47 2wkk s PHE 132 CO 0.56 0.31 1.10 -1.54 -0.00 0.00 0.00 175.22 175.65 2wkk s SER 133 N -3.81 4.11 -0.23 1.36 1.04 -1.26 -4.91 113.70 110.01 2wkk s SER 133 Ca 0.26 1.86 0.02 0.00 0.48 0.00 0.00 55.95 58.57 2wkk s SER 133 Cb 0.06 -2.50 0.05 0.00 0.10 0.00 0.00 66.02 63.73 2wkk s SER 133 CO 0.14 -2.29 -0.11 -0.55 0.98 0.00 0.00 173.24 171.41 2wkk s SER 134 N -3.26 3.87 0.86 7.02 0.15 -1.26 -3.53 113.70 117.55 2wkk s SER 134 Ca 0.62 -1.12 -0.10 0.00 0.70 0.00 0.00 55.95 56.06 2wkk s SER 134 Cb -0.18 -1.37 0.16 0.00 -1.71 0.00 0.00 66.02 62.92 2wkk s SER 134 CO 0.57 -0.17 1.18 -2.16 1.20 0.00 0.00 173.24 173.86 2wkk s PRO 135 N 1.27 1.13 0.12 5.44 0.04 -1.26 -4.94 135.00 136.80 2wkk s PRO 135 Ca -0.05 -0.66 -0.00 0.00 0.04 0.00 0.00 61.00 60.33 2wkk s PRO 135 Cb -0.18 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2wkk s PRO 135 CO -0.07 -1.98 0.28 0.14 0.04 0.00 0.00 177.00 175.41 2wkk s VAL 136 N -3.57 5.31 -0.02 -0.36 -7.23 -0.13 -4.71 120.40 109.69 2wkk s VAL 136 Ca 0.70 -0.39 -0.28 0.00 -1.81 0.00 0.00 61.98 60.21 2wkk s VAL 136 Cb -0.05 -3.67 -0.03 0.00 0.56 0.00 0.00 36.38 33.19 2wkk s VAL 136 CO 0.49 0.02 0.88 -0.89 -0.31 0.00 0.00 175.10 175.29 2wkk s THR 137 N -1.64 4.93 -0.14 5.32 2.01 -0.02 -1.86 115.64 124.24 2wkk s THR 137 Ca 0.36 1.84 -0.01 0.00 0.31 0.00 0.00 61.69 64.20 2wkk s THR 137 Cb -0.12 -4.22 0.03 0.00 0.01 0.00 0.00 72.50 68.20 2wkk s THR 137 CO 0.28 0.20 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.65 2wkk s VAL 138 N 0.92 1.05 -0.25 3.82 1.01 -0.41 -0.30 120.40 126.25 2wkk s VAL 138 Ca 0.47 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 2wkk s VAL 138 Cb -0.20 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2wkk s VAL 138 CO 0.24 0.25 0.11 -1.81 0.00 0.00 0.00 175.10 173.89 2wkk s ASP 139 N 1.68 5.47 -0.14 3.32 1.11 -0.60 -0.31 116.67 127.20 2wkk s ASP 139 Ca 0.03 -0.12 -0.01 0.00 0.18 0.00 0.00 52.55 52.64 2wkk s ASP 139 Cb -0.14 -1.99 -0.02 0.00 1.07 0.00 0.00 42.92 41.85 2wkk s ASP 139 CO -0.08 -0.02 -0.12 -0.69 1.18 0.00 0.00 175.17 175.45 2wkk s VAL 140 N 1.55 3.15 0.08 -1.27 1.01 0.21 -0.71 120.40 124.40 2wkk s VAL 140 Ca 0.06 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.50 2wkk s VAL 140 Cb -0.15 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2wkk s VAL 140 CO 0.06 0.51 -0.16 -1.00 0.00 0.00 0.00 175.10 174.51 2wkk s HIS 141 N 0.45 2.61 -0.47 5.22 3.76 0.65 -0.91 115.29 126.60 2wkk s HIS 141 Ca -0.09 -0.22 0.24 0.00 -0.15 0.00 0.00 55.06 54.83 2wkk s HIS 141 Cb -0.16 -1.43 0.36 0.00 1.11 0.00 0.00 32.58 32.47 2wkk s HIS 141 CO 0.04 0.34 1.52 0.78 -0.85 0.00 0.00 174.74 176.58 2wkk h GLY 142 N 4.10 0.00 -3.26 -2.22 0.00 -1.87 -1.11 103.07 98.71 2wkk h GLY 142 Ca -0.49 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 2wkk h GLY 142 CO 0.48 0.00 0.02 0.48 0.00 0.00 0.00 176.54 177.52 2wkk s LEU 143 N -5.66 0.05 0.11 3.11 2.34 -1.24 -3.68 118.68 113.71 2wkk s LEU 143 Ca 0.06 -0.09 -0.34 0.00 0.06 0.00 0.00 54.13 53.82 2wkk s LEU 143 Cb 0.08 2.09 -0.14 0.00 -0.56 0.00 0.00 46.19 47.65 2wkk s LEU 143 CO 0.68 -0.83 1.57 -0.11 -1.06 0.00 0.00 176.35 176.61 2wkk n LEU 144 N -0.04 2.89 -4.82 1.48 7.94 -1.25 -4.84 117.00 118.35 2wkk n LEU 144 Ca -0.17 1.08 -0.30 0.00 -1.11 0.00 0.00 56.01 55.51 2wkk n LEU 144 Cb 0.63 -1.38 0.09 0.00 0.53 0.00 0.00 43.42 43.29 2wkk n LEU 144 CO 0.17 -0.39 0.72 -2.16 -1.11 0.00 0.00 177.39 174.62 2wkk s PRO 145 N 1.23 2.04 0.45 1.96 0.04 -1.26 -4.98 135.00 134.47 2wkk s PRO 145 Ca 0.81 0.51 -0.25 0.00 0.04 0.00 0.00 61.00 62.12 2wkk s PRO 145 Cb -0.73 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 31.80 2wkk s PRO 145 CO 0.41 -1.62 1.32 -2.30 0.04 0.00 0.00 177.00 174.86 2wkk n PRO 146 N -3.41 1.99 -3.96 0.56 -0.02 -1.26 -4.96 135.00 123.93 2wkk n PRO 146 Ca 0.07 0.71 -0.36 0.00 -2.02 0.00 0.00 63.50 61.90 2wkk n PRO 146 Cb 0.57 -2.47 -0.08 0.00 -0.02 0.00 0.00 33.50 31.50 2wkk n PRO 146 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wkk s LEU 147 N -2.16 4.12 0.87 2.45 1.43 -1.26 -5.09 118.68 119.04 2wkk s LEU 147 Ca 0.62 0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 53.92 2wkk s LEU 147 Cb -0.48 -2.01 0.11 0.00 0.03 0.00 0.00 46.19 43.84 2wkk s LEU 147 CO 0.57 0.33 1.10 -2.16 0.23 0.00 0.00 176.35 176.42 2wkk s PRO 148 N -0.55 1.48 0.00 1.29 0.04 -1.26 -4.90 135.00 131.10 2wkk s PRO 148 Ca 0.12 1.16 0.12 0.00 0.04 0.00 0.00 61.00 62.44 2wkk s PRO 148 Cb -0.12 -1.81 0.52 0.00 0.04 0.00 0.00 34.50 33.13 2wkk s PRO 148 CO 0.02 -2.18 1.38 -2.30 0.04 0.00 0.00 177.00 173.96 2wkk n PRO 149 N -3.89 0.01 0.00 0.56 -0.02 -1.26 -5.29 135.00 125.11 2wkk n PRO 149 Ca 0.09 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2wkk n PRO 149 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 2wkk n PRO 149 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48