#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 4.24 0.09 -0.89 2.96 -1.26 -0.73 118.68 123.09 2wkk s LEU 2 Ca 0.00 0.57 0.08 0.00 -0.22 0.00 0.00 54.13 54.56 2wkk s LEU 2 Cb 0.00 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 2wkk s LEU 2 CO 0.00 0.06 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.57 2wkk s TYR 3 N 0.59 1.85 -0.36 5.38 1.51 0.38 -5.00 117.35 121.70 2wkk s TYR 3 Ca 0.19 -0.40 -0.07 0.00 -1.01 0.00 0.00 57.07 55.77 2wkk s TYR 3 Cb -0.14 -1.04 0.04 0.00 -0.11 0.00 0.00 41.96 40.72 2wkk s TYR 3 CO 0.05 0.18 0.14 -1.01 -1.11 0.00 0.00 175.55 173.81 2wkk s HIS 4 N -1.03 3.27 -0.41 2.71 3.76 -1.26 -1.24 115.29 121.09 2wkk s HIS 4 Ca 0.07 -1.38 -0.16 0.00 -0.15 0.00 0.00 55.06 53.44 2wkk s HIS 4 Cb -0.10 -2.40 0.02 0.00 1.11 0.00 0.00 32.58 31.21 2wkk s HIS 4 CO 0.04 -0.73 0.38 -1.17 -0.85 0.00 0.00 174.74 172.40 2wkk s LEU 5 N 1.43 4.92 0.36 0.89 2.96 -0.79 -4.92 118.68 123.53 2wkk s LEU 5 Ca -0.00 -0.73 -0.12 0.00 -0.22 0.00 0.00 54.13 53.06 2wkk s LEU 5 Cb -0.20 -2.30 -0.07 0.00 0.50 0.00 0.00 46.19 44.12 2wkk s LEU 5 CO 0.03 -0.52 0.75 -0.36 -1.32 0.00 0.00 176.35 174.93 2wkk s PHE 6 N 1.96 3.43 0.44 5.38 0.40 -1.26 -1.00 117.98 127.33 2wkk s PHE 6 Ca 0.09 1.11 -0.25 0.00 -0.60 0.00 0.00 56.93 57.28 2wkk s PHE 6 Cb -0.18 -2.47 -0.08 0.00 0.51 0.00 0.00 43.02 40.80 2wkk s PHE 6 CO 0.12 -0.01 1.32 0.54 0.70 0.00 0.00 175.22 177.90 2wkk s VAL 7 N -2.19 2.47 -1.46 -0.44 0.11 -1.26 -2.36 120.40 115.27 2wkk s VAL 7 Ca 0.52 0.41 -0.09 0.00 -2.93 0.00 0.00 61.98 59.89 2wkk s VAL 7 Cb -0.10 -3.23 0.03 0.00 -1.53 0.00 0.00 36.38 31.55 2wkk s VAL 7 CO 0.25 0.04 0.87 0.59 -3.33 0.00 0.00 175.10 173.53 2wkk n ASN 8 N -0.19 -5.71 -1.09 3.54 3.02 0.27 -4.95 115.26 110.15 2wkk n ASN 8 Ca 0.05 -0.49 -0.01 0.00 -0.03 0.00 0.00 54.58 54.11 2wkk n ASN 8 Cb 0.44 -4.56 -0.00 0.00 -0.61 0.00 0.00 39.78 35.05 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 -2.73 -0.06 -3.95 6.41 4.05 -0.99 -5.01 115.26 112.98 2wkk n ASN 9 Ca -0.03 -1.08 -0.09 0.00 0.45 0.00 0.00 54.58 53.82 2wkk n ASN 9 Cb 0.57 0.12 -0.06 0.00 1.23 0.00 0.00 39.78 41.64 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 -2.03 1.36 -0.07 1.20 -2.07 -1.26 -1.49 119.66 115.29 2wkk s GLN 10 Ca 0.01 -1.17 0.04 0.00 -1.82 0.00 0.00 55.36 52.42 2wkk s GLN 10 Cb -0.00 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.36 2wkk s GLN 10 CO 0.01 -0.54 -0.20 0.14 -1.32 0.00 0.00 175.29 173.38 2wkk s VAL 11 N -3.98 1.73 -0.19 3.63 -7.23 -0.07 -4.83 120.40 109.46 2wkk s VAL 11 Ca 0.19 -0.85 -0.26 0.00 -1.81 0.00 0.00 61.98 59.25 2wkk s VAL 11 Cb 0.01 -1.50 -0.01 0.00 0.56 0.00 0.00 36.38 35.44 2wkk s VAL 11 CO 0.04 0.49 0.86 -0.75 -0.31 0.00 0.00 175.10 175.42 2wkk s LYS 12 N 0.26 4.27 0.42 4.82 2.20 -1.26 -1.77 119.74 128.68 2wkk s LYS 12 Ca -0.12 1.04 -0.23 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 32.48 2wkk s LYS 12 CO 0.06 -0.40 1.06 -0.51 -0.36 0.00 0.00 175.35 175.19 2wkk s LEU 13 N 2.42 4.06 0.30 5.43 1.43 -0.05 -4.94 118.68 127.32 2wkk s LEU 13 Ca 0.38 2.03 0.08 0.00 -1.03 0.00 0.00 54.13 55.59 2wkk s LEU 13 Cb -0.16 -4.28 0.47 0.00 0.03 0.00 0.00 46.19 42.25 2wkk s LEU 13 CO 0.11 -0.59 1.70 1.56 0.23 0.00 0.00 176.35 179.35 2wkk h GLN 14 N 2.24 0.18 -4.46 1.70 1.08 -1.96 -3.45 115.11 110.45 2wkk h GLN 14 Ca -0.49 -0.09 -0.20 0.00 -1.45 0.00 0.00 58.65 56.42 2wkk h GLN 14 Cb 1.22 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 28.48 2wkk h GLN 14 CO 0.61 0.59 -0.70 -0.80 -0.95 0.00 0.00 178.83 177.59 2wkk s ASN 15 N -6.88 0.83 0.35 1.46 -0.87 -1.26 -5.13 114.94 103.43 2wkk s ASN 15 Ca -0.04 -0.89 -0.28 0.00 -1.57 0.00 0.00 52.86 50.08 2wkk s ASN 15 Cb 0.13 0.12 -0.12 0.00 -0.02 0.00 0.00 41.25 41.36 2wkk s ASN 15 CO 0.77 -0.45 1.46 0.47 -2.57 0.00 0.00 177.10 176.78 2wkk n ASP 16 N 0.38 3.53 -4.61 -1.22 8.00 -1.26 -4.92 116.55 116.46 2wkk n ASP 16 Ca -0.15 1.21 -0.43 0.00 0.71 0.00 0.00 54.79 56.13 2wkk n ASP 16 Cb 0.59 -1.58 -0.04 0.00 -0.02 0.00 0.00 41.12 40.08 2wkk n ASP 16 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2wkk s PHE 17 N -0.89 3.09 0.30 1.24 5.36 0.17 -4.93 117.98 122.32 2wkk s PHE 17 Ca 0.56 0.79 -0.00 0.00 -0.96 0.00 0.00 56.93 57.31 2wkk s PHE 17 Cb -0.51 -3.62 0.00 0.00 -0.34 0.00 0.00 43.02 38.55 2wkk s PHE 17 CO 0.61 -0.81 0.40 0.36 -1.46 0.00 0.00 175.22 174.32 2wkk n LYS 18 N 6.74 0.58 -1.65 10.12 2.85 -1.26 -1.40 118.16 134.14 2wkk n LYS 18 Ca 0.07 -2.51 -0.44 0.00 -1.05 0.00 0.00 58.31 54.38 2wkk n LYS 18 Cb 0.48 2.36 -0.02 0.00 -0.65 0.00 0.00 35.03 37.21 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 -0.51 1.77 0.00 -1.58 -0.02 -1.26 -0.64 135.00 132.76 2wkk n PRO 19 Ca 0.01 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2wkk n PRO 19 Cb 0.52 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 1.00 0.00 -2.10 -0.52 -0.58 0.05 -4.98 120.64 113.51 2wkk n GLU 20 Ca 0.09 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.45 2wkk n GLU 20 Cb 0.33 -0.60 0.01 0.00 -0.57 0.00 0.00 31.44 30.61 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 -1.29 5.81 -0.05 1.62 0.01 0.19 -3.58 113.70 116.40 2wkk s SER 21 Ca 0.00 2.44 0.02 0.00 1.31 0.00 0.00 55.95 59.72 2wkk s SER 21 Cb 0.00 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.63 2wkk s SER 21 CO 0.00 -1.17 -0.10 -0.69 0.41 0.00 0.00 173.24 171.69 2wkk s VAL 22 N -1.48 0.92 -0.24 3.43 1.01 -0.54 -1.46 120.40 122.04 2wkk s VAL 22 Ca 0.67 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 62.29 2wkk s VAL 22 Cb -0.32 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.23 2wkk s VAL 22 CO 0.38 0.31 -0.09 0.00 0.00 0.00 0.00 175.10 175.70 2wkk s ALA 23 N 0.69 2.62 -0.48 5.51 0.00 0.62 -0.40 121.76 130.33 2wkk s ALA 23 Ca -0.13 -1.49 -0.14 0.00 0.00 0.00 0.00 51.96 50.20 2wkk s ALA 23 Cb -0.15 -1.60 0.09 0.00 0.00 0.00 0.00 23.12 21.46 2wkk s ALA 23 CO 0.02 -0.82 0.40 0.00 0.00 0.00 0.00 175.76 175.36 2wkk s ALA 24 N 1.28 3.53 -0.18 0.00 0.00 0.10 -0.89 121.76 125.60 2wkk s ALA 24 Ca -0.01 -2.23 -0.15 0.00 0.00 0.00 0.00 51.96 49.57 2wkk s ALA 24 Cb -0.17 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 2wkk s ALA 24 CO -0.06 -1.79 0.34 0.42 0.00 0.00 0.00 175.76 174.68 2wkk s ILE 25 N 1.59 5.25 -0.04 0.00 1.01 0.54 -1.59 121.20 127.97 2wkk s ILE 25 Ca 0.04 0.62 0.02 0.00 0.00 0.00 0.00 60.65 61.33 2wkk s ILE 25 Cb -0.25 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.55 2wkk s ILE 25 CO 0.05 0.32 -0.08 -0.13 0.00 0.00 0.00 174.94 175.09 2wkk s ARG 26 N 0.90 1.04 -0.05 2.79 0.52 0.72 -1.22 118.95 123.65 2wkk s ARG 26 Ca 0.18 -0.28 -0.03 0.00 -0.52 0.00 0.00 55.73 55.08 2wkk s ARG 26 Cb -0.14 -0.95 -0.04 0.00 0.52 0.00 0.00 34.95 34.34 2wkk s ARG 26 CO 0.06 0.06 0.12 0.45 0.02 0.00 0.00 175.30 176.01 2wkk s SER 27 N 0.42 6.06 0.00 0.23 0.15 -0.38 -0.75 113.70 119.43 2wkk s SER 27 Ca -0.07 0.31 0.30 0.00 0.70 0.00 0.00 55.95 57.19 2wkk s SER 27 Cb -0.11 -1.86 1.40 0.00 -1.71 0.00 0.00 66.02 63.74 2wkk s SER 27 CO 0.01 0.32 1.96 -1.54 1.20 0.00 0.00 173.24 175.19 2wkk n SER 28 N 1.45 0.48 -3.76 5.45 3.41 -1.26 -3.84 113.62 115.55 2wkk n SER 28 Ca -0.15 -0.82 -0.10 0.00 -0.26 0.00 0.00 58.87 57.55 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 -2.27 -0.60 -0.17 7.33 0.00 -0.98 -4.69 121.76 120.38 2wkk s ALA 29 Ca 0.36 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2wkk s ALA 29 Cb 0.21 0.69 0.04 0.00 0.00 0.00 0.00 23.12 24.05 2wkk s ALA 29 CO 0.42 -0.63 -0.09 0.12 0.00 0.00 0.00 175.76 175.58 2wkk s PHE 30 N -3.86 2.03 -0.56 0.00 5.36 -1.21 -4.03 117.98 115.72 2wkk s PHE 30 Ca 0.07 -1.27 -0.19 0.00 -0.96 0.00 0.00 56.93 54.58 2wkk s PHE 30 Cb 0.02 -1.47 0.09 0.00 -0.34 0.00 0.00 43.02 41.32 2wkk s PHE 30 CO -0.09 -0.66 0.66 -0.80 -1.46 0.00 0.00 175.22 172.87 2wkk s ASN 31 N 1.53 6.19 0.64 6.13 0.01 0.67 -4.93 114.94 125.18 2wkk s ASN 31 Ca 0.01 -1.29 0.41 0.00 -0.71 0.00 0.00 52.86 51.27 2wkk s ASN 31 Cb -0.15 -2.29 2.19 0.00 0.41 0.00 0.00 41.25 41.41 2wkk s ASN 31 CO -0.08 -1.02 2.30 0.77 -1.51 0.00 0.00 177.10 177.56 2wkk h SER 32 N 9.10 0.00 -0.39 -1.22 4.64 -1.93 0.28 113.55 124.04 2wkk h SER 32 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2wkk h SER 32 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2wkk h SER 32 CO 1.05 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 177.31 2wkk n LYS 33 N -3.22 2.27 -1.63 4.77 5.02 -1.26 -4.99 118.16 119.13 2wkk n LYS 33 Ca -0.03 -1.94 -0.35 0.00 -2.02 0.00 0.00 58.31 53.97 2wkk n LYS 33 Cb 0.11 -1.47 0.07 0.00 -0.02 0.00 0.00 35.03 33.72 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 -1.37 2.55 0.00 0.72 0.00 0.09 -5.02 107.32 104.29 2wkk s GLY 34 Ca 0.37 0.98 0.00 0.00 0.00 0.00 0.00 44.72 46.07 2wkk s GLY 34 CO 0.29 1.39 0.00 0.61 0.00 0.00 0.00 173.10 175.39 2wkk n GLY 35 N 0.52 3.25 3.69 0.20 0.00 0.17 -4.77 105.19 108.24 2wkk n GLY 35 Ca 0.14 -1.96 -0.44 0.00 0.00 0.00 0.00 46.02 43.76 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 0.00 0.18 -4.47 2.61 -1.04 -1.26 -4.29 114.28 106.01 2wkk n THR 36 Ca 0.00 -0.03 -0.25 0.00 -2.04 0.00 0.00 64.05 61.73 2wkk n THR 36 Cb 0.00 -1.85 -0.17 0.00 -1.82 0.00 0.00 70.33 66.49 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 1.88 1.10 -0.03 12.58 2.01 -0.41 -4.35 115.64 128.42 2wkk s THR 37 Ca 0.81 -0.44 0.05 0.00 0.31 0.00 0.00 61.69 62.42 2wkk s THR 37 Cb -0.58 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.89 2wkk s THR 37 CO 0.38 0.35 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.78 2wkk s VAL 38 N 0.82 1.58 -0.07 3.82 1.01 0.32 -0.76 120.40 127.12 2wkk s VAL 38 Ca -0.12 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.09 2wkk s VAL 38 Cb -0.15 -1.33 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 2wkk s VAL 38 CO 0.02 0.45 -0.22 -0.36 0.00 0.00 0.00 175.10 174.98 2wkk s PHE 39 N -0.22 2.30 -0.04 5.22 0.40 -0.57 -0.78 117.98 124.29 2wkk s PHE 39 Ca 0.01 -0.80 0.06 0.00 -0.60 0.00 0.00 56.93 55.60 2wkk s PHE 39 Cb -0.10 -1.53 -0.01 0.00 0.51 0.00 0.00 43.02 41.88 2wkk s PHE 39 CO 0.01 -0.29 -0.23 -0.80 0.70 0.00 0.00 175.22 174.61 2wkk s ASN 40 N 0.13 2.77 -0.28 1.36 0.01 -0.48 -0.56 114.94 117.89 2wkk s ASN 40 Ca -0.10 -0.45 -0.11 0.00 -0.71 0.00 0.00 52.86 51.49 2wkk s ASN 40 Cb -0.15 -0.64 -0.05 0.00 0.41 0.00 0.00 41.25 40.82 2wkk s ASN 40 CO 0.06 0.24 0.18 -0.36 -1.51 0.00 0.00 177.10 175.70 2wkk s PHE 41 N -0.22 3.21 -0.05 2.20 0.40 0.31 -0.67 117.98 123.17 2wkk s PHE 41 Ca -0.00 0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.46 2wkk s PHE 41 Cb -0.12 -2.37 -0.03 0.00 0.51 0.00 0.00 43.02 41.01 2wkk s PHE 41 CO 0.02 -0.17 -0.14 -0.51 0.70 0.00 0.00 175.22 175.12 2wkk s LEU 42 N 1.75 2.76 0.82 -0.37 1.43 -0.34 -0.37 118.68 124.36 2wkk s LEU 42 Ca 0.07 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 52.86 2wkk s LEU 42 Cb -0.16 -1.56 0.10 0.00 0.03 0.00 0.00 46.19 44.59 2wkk s LEU 42 CO 0.11 0.34 1.18 -0.94 0.23 0.00 0.00 176.35 177.27 2wkk s SER 43 N -0.76 4.32 0.56 2.29 1.04 -0.33 0.60 113.70 121.42 2wkk s SER 43 Ca 0.12 0.64 0.25 0.00 0.48 0.00 0.00 55.95 57.43 2wkk s SER 43 Cb -0.11 -1.08 1.50 0.00 0.10 0.00 0.00 66.02 66.44 2wkk s SER 43 CO 0.01 -2.00 2.10 0.00 0.98 0.00 0.00 173.24 174.32 2wkk h ALA 44 N -1.09 2.01 -0.47 5.32 0.00 -1.91 0.11 119.26 123.24 2wkk h ALA 44 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wkk h ALA 44 Cb 1.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2wkk h ALA 44 CO 0.60 -0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2wkk n GLY 45 N -1.49 1.54 2.35 0.00 0.00 -1.26 -4.92 105.19 101.41 2wkk n GLY 45 Ca 0.02 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 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 0.83 -1.14 -2.49 1.61 1.02 0.38 -4.71 120.64 116.14 2wkk n GLU 46 Ca 0.17 0.86 -0.40 0.00 -0.02 0.00 0.00 57.16 57.77 2wkk n GLU 46 Cb 0.51 -5.12 -0.04 0.00 -0.02 0.00 0.00 31.44 26.77 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 -2.54 7.29 -0.70 1.62 0.01 -1.26 -3.90 114.94 115.46 2wkk s ASN 47 Ca 0.00 2.25 -0.22 0.00 -0.71 0.00 0.00 52.86 54.19 2wkk s ASN 47 Cb 0.00 -2.63 0.08 0.00 0.41 0.00 0.00 41.25 39.12 2wkk s ASN 47 CO 0.00 -0.12 0.96 -0.63 -1.51 0.00 0.00 177.10 175.80 2wkk s ILE 48 N -1.15 4.44 0.08 0.60 1.01 0.61 -1.18 121.20 125.60 2wkk s ILE 48 Ca 0.44 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 60.31 2wkk s ILE 48 Cb -0.32 -4.68 -0.15 0.00 0.01 0.00 0.00 42.46 37.32 2wkk s ILE 48 CO 0.41 -1.43 1.30 -0.07 0.00 0.00 0.00 174.94 175.14 2wkk h LEU 49 N 11.06 0.79 -7.29 2.97 3.38 -0.95 -1.75 115.31 123.51 2wkk h LEU 49 Ca -0.22 -0.60 -0.36 0.00 0.09 0.00 0.00 57.88 56.79 2wkk h LEU 49 Cb 1.06 -0.23 -0.38 0.00 0.09 0.00 0.00 40.66 41.20 2wkk h LEU 49 CO 1.16 1.25 -0.72 -0.22 0.09 0.00 0.00 178.44 180.01 2wkk s LEU 50 N -8.60 0.11 -0.18 1.67 2.96 -1.15 -4.64 118.68 108.84 2wkk s LEU 50 Ca -0.12 0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.87 2wkk s LEU 50 Cb 0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 46.19 46.68 2wkk s LEU 50 CO 0.86 -0.25 -0.06 -2.28 -1.32 0.00 0.00 176.35 173.29 2wkk s HIS 51 N 2.19 2.93 -0.30 5.38 5.65 -0.02 -0.53 115.29 130.60 2wkk s HIS 51 Ca 0.05 -0.73 0.02 0.00 0.25 0.00 0.00 55.06 54.64 2wkk s HIS 51 Cb -0.12 -2.01 0.07 0.00 -1.18 0.00 0.00 32.58 29.34 2wkk s HIS 51 CO -0.04 -0.36 -0.03 0.42 -0.65 0.00 0.00 174.74 174.08 2wkk s ILE 52 N 0.97 2.49 -0.42 0.89 1.01 0.28 -2.24 121.20 124.17 2wkk s ILE 52 Ca -0.00 -1.73 -0.07 0.00 0.00 0.00 0.00 60.65 58.85 2wkk s ILE 52 Cb -0.15 -2.54 0.10 0.00 0.01 0.00 0.00 42.46 39.88 2wkk s ILE 52 CO 0.00 -0.20 0.25 -0.55 0.00 0.00 0.00 174.94 174.45 2wkk s SER 53 N 1.15 5.51 -0.39 3.58 0.15 0.39 -1.51 113.70 122.59 2wkk s SER 53 Ca -0.03 -1.74 -0.22 0.00 0.70 0.00 0.00 55.95 54.66 2wkk s SER 53 Cb -0.20 -1.94 0.01 0.00 -1.71 0.00 0.00 66.02 62.19 2wkk s SER 53 CO -0.04 -0.57 0.71 -0.63 1.20 0.00 0.00 173.24 173.91 2wkk s ILE 54 N 1.32 4.79 -0.53 6.45 1.01 0.06 -0.81 121.20 133.49 2wkk s ILE 54 Ca 0.05 0.60 0.04 0.00 0.00 0.00 0.00 60.65 61.33 2wkk s ILE 54 Cb -0.24 -4.18 0.14 0.00 0.01 0.00 0.00 42.46 38.19 2wkk s ILE 54 CO -0.01 -0.46 0.29 -0.13 0.00 0.00 0.00 174.94 174.64 2wkk s ARG 55 N 2.95 1.92 0.34 2.79 0.52 0.34 -1.29 118.95 126.53 2wkk s ARG 55 Ca 0.27 -2.63 0.06 0.00 -0.52 0.00 0.00 55.73 52.92 2wkk s ARG 55 Cb -0.14 -3.14 0.74 0.00 0.52 0.00 0.00 34.95 32.93 2wkk s ARG 55 CO 0.17 -1.15 1.89 -1.35 0.02 0.00 0.00 175.30 174.89 2wkk h PRO 56 N 6.35 0.76 0.00 3.54 0.11 -1.83 -1.79 132.00 139.13 2wkk h PRO 56 Ca -0.03 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 2wkk h PRO 56 Cb 0.88 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 2wkk h PRO 56 CO 0.65 0.50 -0.02 0.78 -0.21 0.00 0.00 178.00 179.71 2wkk h GLY 57 N 0.78 0.00 -0.73 -0.55 0.00 -1.92 -1.93 103.07 98.72 2wkk h GLY 57 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2wkk h GLY 57 CO -0.18 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.54 2wkk n GLU 58 N -3.20 0.52 -3.99 4.80 1.02 -0.75 -4.99 120.64 114.05 2wkk n GLU 58 Ca -0.02 -1.12 -0.31 0.00 -0.02 0.00 0.00 57.16 55.69 2wkk n GLU 58 Cb 0.18 -1.17 0.01 0.00 -0.02 0.00 0.00 31.44 30.44 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 -4.19 -4.03 1.62 5.15 -0.73 -4.96 115.26 108.59 2wkk n ASN 59 Ca 0.06 -0.85 -0.10 0.00 -0.60 0.00 0.00 54.58 53.09 2wkk n ASN 59 Cb 0.24 -3.58 -0.11 0.00 -0.53 0.00 0.00 39.78 35.79 2wkk n ASN 59 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2wkk s VAL 60 N -3.33 0.28 -0.15 3.44 0.11 -0.98 -1.88 120.40 117.89 2wkk s VAL 60 Ca 0.64 -1.17 -0.01 0.00 -2.93 0.00 0.00 61.98 58.51 2wkk s VAL 60 Cb -0.33 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 2wkk s VAL 60 CO 0.86 -0.57 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.30 2wkk s ILE 61 N -1.98 3.05 -0.12 7.04 1.01 0.46 -0.51 121.20 130.14 2wkk s ILE 61 Ca -0.09 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 2wkk s ILE 61 Cb -0.06 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 2wkk s ILE 61 CO -0.02 0.51 -0.08 -0.69 0.00 0.00 0.00 174.94 174.66 2wkk s VAL 62 N 0.64 3.56 -0.06 2.92 1.01 0.01 -1.63 120.40 126.84 2wkk s VAL 62 Ca -0.07 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2wkk s VAL 62 Cb -0.15 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2wkk s VAL 62 CO 0.03 0.53 -0.11 -0.36 0.00 0.00 0.00 175.10 175.19 2wkk s PHE 63 N 0.02 2.81 0.30 5.22 0.40 0.51 -0.46 117.98 126.78 2wkk s PHE 63 Ca -0.02 -0.12 -0.19 0.00 -0.60 0.00 0.00 56.93 56.01 2wkk s PHE 63 Cb -0.14 -1.68 0.06 0.00 0.51 0.00 0.00 43.02 41.77 2wkk s PHE 63 CO 0.03 0.21 0.87 1.21 0.70 0.00 0.00 175.22 178.25 2wkk s ASN 64 N -0.67 -0.03 0.02 1.36 3.84 -0.95 -1.59 114.94 116.92 2wkk s ASN 64 Ca 0.10 -0.91 -0.09 0.00 0.21 0.00 0.00 52.86 52.17 2wkk s ASN 64 Cb -0.11 0.71 0.00 0.00 -0.55 0.00 0.00 41.25 41.30 2wkk s ASN 64 CO 0.01 -1.40 0.18 -0.44 -2.79 0.00 0.00 177.10 172.66 2wkk s SER 65 N -3.15 0.03 0.02 -4.21 0.01 -1.26 -0.83 113.70 104.30 2wkk s SER 65 Ca 0.17 -0.29 -0.25 0.00 1.31 0.00 0.00 55.95 56.88 2wkk s SER 65 Cb -0.04 0.26 0.06 0.00 0.21 0.00 0.00 66.02 66.51 2wkk s SER 65 CO 0.09 -0.48 0.59 0.00 0.41 0.00 0.00 173.24 173.84 2wkk s ARG 66 N -2.07 1.07 0.62 12.44 1.70 -0.66 -2.89 118.95 129.17 2wkk s ARG 66 Ca -0.09 -0.08 -0.14 0.00 -0.47 0.00 0.00 55.73 54.95 2wkk s ARG 66 Cb -0.04 0.49 -0.02 0.00 -0.57 0.00 0.00 34.95 34.81 2wkk s ARG 66 CO -0.01 -0.38 1.06 -0.51 -1.08 0.00 0.00 175.30 174.38 2wkk s LEU 67 N -1.76 3.40 0.25 -1.89 1.43 -1.26 -0.29 118.68 118.56 2wkk s LEU 67 Ca -0.07 1.76 -0.11 0.00 -1.03 0.00 0.00 54.13 54.68 2wkk s LEU 67 Cb -0.01 -4.52 0.35 0.00 0.03 0.00 0.00 46.19 42.04 2wkk s LEU 67 CO 0.01 -1.24 1.58 0.50 0.23 0.00 0.00 176.35 177.43 2wkk h LYS 68 N 0.13 -0.01 -0.23 1.70 3.64 -1.84 -0.70 116.57 119.26 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 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2wkk h LYS 68 CO 0.57 -0.01 0.00 0.09 -2.27 0.00 0.00 179.45 177.83 2wkk n ASN 69 N -5.55 3.52 -4.38 4.20 3.02 -1.26 -5.01 115.26 109.80 2wkk n ASN 69 Ca 0.12 -2.86 -0.17 0.00 -0.03 0.00 0.00 54.58 51.64 2wkk n ASN 69 Cb 0.44 -0.47 0.05 0.00 -0.61 0.00 0.00 39.78 39.18 2wkk n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wkk n GLY 70 N -0.49 2.11 3.92 7.41 0.00 -0.27 -5.12 105.19 112.75 2wkk n GLY 70 Ca 0.19 -2.22 -0.27 0.00 0.00 0.00 0.00 46.02 43.71 2wkk n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wkk s ALA 71 N -2.58 3.67 0.45 4.61 0.00 -1.26 -4.59 121.76 122.06 2wkk s ALA 71 Ca 0.45 -0.69 -0.24 0.00 0.00 0.00 0.00 51.96 51.48 2wkk s ALA 71 Cb -0.04 -2.21 -0.07 0.00 0.00 0.00 0.00 23.12 20.80 2wkk s ALA 71 CO 0.29 0.20 1.29 -1.58 0.00 0.00 0.00 175.76 175.95 2wkk s TRP 72 N -2.12 2.69 0.00 0.00 0.52 -1.26 -4.48 118.94 114.29 2wkk s TRP 72 Ca 0.42 1.42 0.00 0.00 0.02 0.00 0.00 56.10 57.96 2wkk s TRP 72 Cb -0.10 -3.64 0.00 0.00 -1.15 0.00 0.00 33.47 28.57 2wkk s TRP 72 CO 0.32 -2.19 0.00 0.41 0.02 0.00 0.00 176.95 175.51 2wkk n GLY 73 N 0.62 -0.11 3.76 0.98 0.00 -1.14 -5.03 105.19 104.28 2wkk n GLY 73 Ca 0.06 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 2wkk n GLY 73 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wkk s PRO 74 N -0.41 3.68 0.19 1.61 0.02 -1.26 -4.92 135.00 133.90 2wkk s PRO 74 Ca 0.00 2.36 -0.19 0.00 0.02 0.00 0.00 61.00 63.19 2wkk s PRO 74 Cb 0.00 -2.63 -0.08 0.00 0.02 0.00 0.00 34.50 31.81 2wkk s PRO 74 CO 0.00 -0.80 0.67 -1.21 -0.33 0.00 0.00 177.00 175.33 2wkk s GLU 75 N -2.46 4.20 -0.20 5.54 2.02 -1.26 -4.78 118.70 121.76 2wkk s GLU 75 Ca 0.61 0.79 -0.02 0.00 0.02 0.00 0.00 54.97 56.37 2wkk s GLU 75 Cb -0.43 -2.95 -0.00 0.00 0.10 0.00 0.00 34.13 30.86 2wkk s GLU 75 CO 0.54 0.45 -0.09 -1.21 0.02 0.00 0.00 175.26 174.97 2wkk s GLU 76 N -1.84 3.27 -0.00 1.61 2.02 -0.62 -4.98 118.70 118.15 2wkk s GLU 76 Ca 0.40 -0.69 0.07 0.00 0.02 0.00 0.00 54.97 54.78 2wkk s GLU 76 Cb -0.17 -2.85 -0.02 0.00 0.10 0.00 0.00 34.13 31.19 2wkk s GLU 76 CO 0.21 -0.17 -0.23 1.03 0.02 0.00 0.00 175.26 176.11 2wkk s ARG 77 N 1.34 1.82 0.10 1.61 0.52 -1.26 -0.36 118.95 122.72 2wkk s ARG 77 Ca 0.04 -0.88 0.03 0.00 -0.52 0.00 0.00 55.73 54.40 2wkk s ARG 77 Cb -0.14 -1.81 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 2wkk s ARG 77 CO -0.05 0.49 -0.08 0.96 0.02 0.00 0.00 175.30 176.64 2wkk s ILE 78 N -0.60 0.81 0.56 1.52 -4.36 -0.65 -4.99 121.20 113.50 2wkk s ILE 78 Ca 0.09 -1.85 -0.20 0.00 -0.26 0.00 0.00 60.65 58.43 2wkk s ILE 78 Cb -0.09 -1.59 -0.05 0.00 1.25 0.00 0.00 42.46 41.98 2wkk s ILE 78 CO -0.00 -0.77 1.21 -2.84 0.24 0.00 0.00 174.94 172.78 2wkk s PRO 79 N -3.50 3.15 -0.03 0.37 0.02 -1.26 -0.40 135.00 133.35 2wkk s PRO 79 Ca 0.10 1.83 -0.07 0.00 0.02 0.00 0.00 61.00 62.88 2wkk s PRO 79 Cb 0.02 -2.04 -0.29 0.00 0.02 0.00 0.00 34.50 32.21 2wkk s PRO 79 CO -0.03 -1.06 0.72 -0.92 -0.33 0.00 0.00 177.00 175.38 2wkk h TYR 80 N 1.15 0.59 -3.43 6.54 3.20 -1.63 -3.41 116.97 119.99 2wkk h TYR 80 Ca -0.50 -0.43 -0.56 0.00 3.14 0.00 0.00 58.73 60.37 2wkk h TYR 80 Cb 1.29 -0.02 0.11 0.00 1.54 0.00 0.00 36.73 39.65 2wkk h TYR 80 CO 0.48 1.56 0.53 0.00 -1.64 0.00 0.00 178.16 179.09 2wkk n ALA 81 N -2.79 1.41 -3.25 1.82 0.00 -1.26 -2.97 120.51 113.47 2wkk n ALA 81 Ca -0.22 0.34 -0.22 0.00 0.00 0.00 0.00 53.44 53.34 2wkk n ALA 81 Cb 1.06 -2.27 0.05 0.00 0.00 0.00 0.00 19.45 18.29 2wkk n ALA 81 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wkk n GLU 82 N 0.44 -6.09 -0.07 0.00 1.02 -1.26 -4.89 120.64 109.78 2wkk n GLU 82 Ca 0.05 0.84 -0.09 0.00 -0.02 0.00 0.00 57.16 57.94 2wkk n GLU 82 Cb 0.37 -5.71 -0.09 0.00 -0.02 0.00 0.00 31.44 25.99 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 -4.34 1.25 -4.35 3.49 4.76 -1.16 -4.54 118.16 113.28 2wkk n LYS 83 Ca -0.06 0.04 -0.32 0.00 -2.87 0.00 0.00 58.31 55.10 2wkk n LYS 83 Cb 0.59 -1.34 -0.09 0.00 -1.84 0.00 0.00 35.03 32.35 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 -2.33 2.99 -0.33 2.13 0.40 -1.26 -1.06 117.98 118.52 2wkk s PHE 84 Ca -0.13 0.02 -0.02 0.00 -0.60 0.00 0.00 56.93 56.20 2wkk s PHE 84 Cb 0.05 -1.64 0.07 0.00 0.51 0.00 0.00 43.02 42.01 2wkk s PHE 84 CO 0.48 0.42 0.06 0.50 0.70 0.00 0.00 175.22 177.38 2wkk s ARG 85 N -1.53 2.26 0.69 0.44 3.52 -1.26 -4.95 118.95 118.13 2wkk s ARG 85 Ca 0.19 -1.45 -0.15 0.00 -0.13 0.00 0.00 55.73 54.19 2wkk s ARG 85 Cb -0.11 -3.29 0.02 0.00 -1.56 0.00 0.00 34.95 30.01 2wkk s ARG 85 CO 0.09 -0.76 1.15 -2.14 -0.81 0.00 0.00 175.30 172.83 2wkk s PRO 86 N 1.20 2.50 0.00 5.12 0.02 -1.26 -2.44 135.00 140.15 2wkk s PRO 86 Ca -0.01 1.53 0.25 0.00 0.02 0.00 0.00 61.00 62.79 2wkk s PRO 86 Cb -0.20 -1.90 0.64 0.00 0.02 0.00 0.00 34.50 33.06 2wkk s PRO 86 CO -0.02 -1.51 1.51 -0.35 -0.33 0.00 0.00 177.00 176.30 2wkk n PRO 87 N -2.59 2.00 -3.37 5.54 -0.04 -1.26 -4.89 135.00 130.39 2wkk n PRO 87 Ca 0.11 -1.46 -0.27 0.00 -0.04 0.00 0.00 63.50 61.85 2wkk n PRO 87 Cb 0.51 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.75 3.45 -4.76 3.54 5.03 -1.19 -2.33 115.26 119.75 2wkk n ASN 88 Ca 0.17 -3.39 -0.31 0.00 0.87 0.00 0.00 54.58 51.92 2wkk n ASN 88 Cb 0.47 -0.66 0.10 0.00 -1.02 0.00 0.00 39.78 38.66 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 -2.42 2.17 0.06 3.52 0.04 -1.02 -4.66 135.00 132.69 2wkk s PRO 89 Ca 0.40 1.18 -0.05 0.00 0.04 0.00 0.00 61.00 62.57 2wkk s PRO 89 Cb 0.16 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.80 2wkk s PRO 89 CO -0.03 -1.71 0.09 -1.54 0.04 0.00 0.00 177.00 173.85 2wkk s SER 90 N -3.35 0.27 -0.04 6.66 1.04 -1.26 -1.25 113.70 115.76 2wkk s SER 90 Ca 0.61 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2wkk s SER 90 Cb -0.17 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.24 2wkk s SER 90 CO 0.56 -0.63 -0.01 -0.63 0.98 0.00 0.00 173.24 173.51 2wkk s ILE 91 N -3.61 0.28 -0.14 -1.02 1.01 -0.35 -4.05 121.20 113.31 2wkk s ILE 91 Ca 0.04 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.75 2wkk s ILE 91 Cb 0.05 -0.37 0.01 0.00 0.01 0.00 0.00 42.46 42.16 2wkk s ILE 91 CO -0.09 0.18 -0.21 -0.89 0.00 0.00 0.00 174.94 173.93 2wkk s THR 92 N 1.11 2.16 -0.13 2.92 2.01 0.31 -0.34 115.64 123.68 2wkk s THR 92 Ca -0.08 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 60.98 2wkk s THR 92 Cb -0.14 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 2wkk s THR 92 CO -0.02 0.54 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.60 2wkk s VAL 93 N 0.84 2.65 -0.06 3.82 1.01 -0.07 -0.61 120.40 127.99 2wkk s VAL 93 Ca -0.06 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.17 2wkk s VAL 93 Cb -0.15 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 2wkk s VAL 93 CO -0.02 0.53 -0.18 -0.63 0.00 0.00 0.00 175.10 174.79 2wkk s ILE 94 N 0.55 1.56 -0.36 2.22 1.01 -0.07 -0.27 121.20 125.84 2wkk s ILE 94 Ca -0.10 -0.77 -0.20 0.00 0.00 0.00 0.00 60.65 59.57 2wkk s ILE 94 Cb -0.16 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 40.96 2wkk s ILE 94 CO 0.04 0.45 0.61 -0.62 0.00 0.00 0.00 174.94 175.41 2wkk s ASP 95 N 0.14 6.39 -0.19 3.58 -1.08 -0.54 -0.55 116.67 124.43 2wkk s ASP 95 Ca -0.07 0.07 0.15 0.00 -0.52 0.00 0.00 52.55 52.18 2wkk s ASP 95 Cb -0.13 -2.31 0.70 0.00 -1.46 0.00 0.00 42.92 39.72 2wkk s ASP 95 CO 0.04 -0.58 1.62 1.41 0.52 0.00 0.00 175.17 178.18 2wkk n HIS 96 N 5.98 1.60 0.00 -5.34 8.25 0.23 -0.77 115.22 125.17 2wkk n HIS 96 Ca -0.02 -0.75 0.00 0.00 -0.26 0.00 0.00 57.72 56.69 2wkk n HIS 96 Cb 0.49 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 0.37 2.05 0.01 -1.41 0.00 -1.26 -4.32 105.19 100.64 2wkk n GLY 97 Ca 0.25 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 3.83 0.66 -3.53 1.61 5.75 -1.26 -4.91 116.55 118.70 2wkk n ASP 98 Ca 0.00 -0.40 -0.11 0.00 -0.01 0.00 0.00 54.79 54.27 2wkk n ASP 98 Cb 0.00 0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 40.68 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 -3.07 1.27 0.03 0.11 1.70 -1.26 -1.23 118.95 116.50 2wkk s ARG 99 Ca 0.08 -0.60 -0.03 0.00 -0.47 0.00 0.00 55.73 54.71 2wkk s ARG 99 Cb 0.16 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 35.05 2wkk s ARG 99 CO 0.78 -0.55 0.23 -0.06 -1.08 0.00 0.00 175.30 174.62 2wkk s PHE 100 N -3.78 3.54 -0.14 5.89 0.40 0.23 -0.60 117.98 123.52 2wkk s PHE 100 Ca 0.03 0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 56.70 2wkk s PHE 100 Cb -0.01 -1.86 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 2wkk s PHE 100 CO -0.11 0.60 0.05 -1.14 0.70 0.00 0.00 175.22 175.32 2wkk s GLN 101 N -2.11 3.59 -0.13 0.44 0.74 0.29 -0.90 119.66 121.57 2wkk s GLN 101 Ca 0.31 -0.35 0.01 0.00 0.05 0.00 0.00 55.36 55.38 2wkk s GLN 101 Cb -0.13 -3.06 0.02 0.00 1.10 0.00 0.00 33.01 30.94 2wkk s GLN 101 CO 0.21 0.46 -0.17 0.42 -0.55 0.00 0.00 175.29 175.67 2wkk s ILE 102 N -0.19 1.68 -0.11 -2.34 1.09 0.52 -0.89 121.20 120.96 2wkk s ILE 102 Ca 0.07 -0.73 0.03 0.00 -1.10 0.00 0.00 60.65 58.91 2wkk s ILE 102 Cb -0.12 -1.53 -0.00 0.00 -1.06 0.00 0.00 42.46 39.75 2wkk s ILE 102 CO 0.02 0.48 -0.21 -0.13 -0.10 0.00 0.00 174.94 174.99 2wkk s ARG 103 N 1.09 3.13 0.00 2.79 0.52 0.22 -0.73 118.95 125.97 2wkk s ARG 103 Ca -0.03 -0.83 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 2wkk s ARG 103 Cb -0.14 -2.38 0.00 0.00 0.52 0.00 0.00 34.95 32.94 2wkk s ARG 103 CO -0.05 0.19 0.00 1.19 0.02 0.00 0.00 175.30 176.66 2wkk n PHE 104 N 3.51 0.00 0.04 -0.53 3.01 -1.26 -0.53 117.46 121.70 2wkk n PHE 104 Ca -0.19 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.26 2wkk n PHE 104 Cb 0.53 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.92 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 -3.86 4.37 3.32 -1.24 -3.47 116.42 115.55 2wkk h ASP 105 Ca 0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 2wkk h ASP 105 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 2wkk h ASP 105 CO 0.00 0.65 -0.72 -0.31 -1.72 0.00 0.00 179.24 177.14 2wkk s TYR 106 N -2.87 1.34 0.00 4.55 1.51 -0.78 -4.94 117.35 116.17 2wkk s TYR 106 Ca -0.02 -0.71 0.00 0.00 -1.01 0.00 0.00 57.07 55.33 2wkk s TYR 106 Cb 0.08 -0.67 0.00 0.00 -0.11 0.00 0.00 41.96 41.26 2wkk s TYR 106 CO 0.80 0.13 0.00 0.41 -1.11 0.00 0.00 175.55 175.79 2wkk n GLY 107 N -0.14 -1.05 3.80 0.71 0.00 -1.26 -4.75 105.19 102.50 2wkk n GLY 107 Ca -0.10 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.73 3.67 0.63 2.61 -4.23 -1.26 -4.87 115.64 110.46 2wkk s THR 108 Ca 0.00 0.54 -0.18 0.00 -1.18 0.00 0.00 61.69 60.87 2wkk s THR 108 Cb 0.00 -3.19 -0.02 0.00 1.34 0.00 0.00 72.50 70.63 2wkk s THR 108 CO 0.00 -0.71 1.25 -0.44 -0.54 0.00 0.00 174.62 174.18 2wkk s SER 109 N -3.66 4.82 -0.13 3.99 0.01 -1.26 -4.83 113.70 112.63 2wkk s SER 109 Ca 0.59 2.50 -0.06 0.00 1.31 0.00 0.00 55.95 60.29 2wkk s SER 109 Cb -0.15 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 2wkk s SER 109 CO 0.55 -1.85 0.10 -0.63 0.41 0.00 0.00 173.24 171.82 2wkk s ILE 110 N -1.53 5.17 -0.07 1.44 1.09 0.09 -4.95 121.20 122.43 2wkk s ILE 110 Ca 0.80 0.08 0.03 0.00 -1.10 0.00 0.00 60.65 60.46 2wkk s ILE 110 Cb -0.34 -3.26 -0.02 0.00 -1.06 0.00 0.00 42.46 37.78 2wkk s ILE 110 CO 0.37 0.57 -0.14 -0.31 -0.10 0.00 0.00 174.94 175.34 2wkk s TYR 111 N -0.63 2.73 -0.21 3.97 1.51 -1.26 -0.35 117.35 123.11 2wkk s TYR 111 Ca 0.12 -0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 55.87 2wkk s TYR 111 Cb -0.12 -1.69 0.06 0.00 -0.11 0.00 0.00 41.96 40.10 2wkk s TYR 111 CO 0.02 0.07 -0.01 -0.47 -1.11 0.00 0.00 175.55 174.06 2wkk s TYR 112 N -0.42 1.63 0.31 2.71 5.04 -0.08 -4.98 117.35 121.55 2wkk s TYR 112 Ca 0.05 -1.22 -0.29 0.00 -2.44 0.00 0.00 57.07 53.16 2wkk s TYR 112 Cb -0.12 -1.27 -0.11 0.00 0.35 0.00 0.00 41.96 40.81 2wkk s TYR 112 CO 0.02 -0.67 1.48 -0.80 -1.34 0.00 0.00 175.55 174.23 2wkk s ASN 113 N 1.66 6.51 0.47 4.32 0.02 -1.26 -0.60 114.94 126.06 2wkk s ASN 113 Ca -0.03 2.85 -0.24 0.00 -1.02 0.00 0.00 52.86 54.43 2wkk s ASN 113 Cb -0.18 -2.64 -0.07 0.00 0.02 0.00 0.00 41.25 38.38 2wkk s ASN 113 CO -0.07 -0.78 1.34 -0.54 0.02 0.00 0.00 177.10 177.06 2wkk s LYS 114 N -1.08 3.57 -0.00 -0.60 1.02 -0.36 -4.87 119.74 117.41 2wkk s LYS 114 Ca 0.57 2.20 0.00 0.00 0.02 0.00 0.00 55.97 58.76 2wkk s LYS 114 Cb -0.44 -2.51 -0.00 0.00 -0.52 0.00 0.00 37.83 34.36 2wkk s LYS 114 CO 0.51 -0.83 0.00 0.54 -0.92 0.00 0.00 175.35 174.65 2wkk n ARG 115 N -0.45 3.35 -4.15 1.68 1.74 -1.26 -4.98 116.66 112.59 2wkk n ARG 115 Ca 0.07 -0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.82 2wkk n ARG 115 Cb 0.44 -1.01 -0.16 0.00 -1.02 0.00 0.00 32.46 30.71 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 -2.01 2.06 -1.40 0.55 1.01 -1.26 -5.05 121.20 115.10 2wkk s ILE 116 Ca -0.00 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 2wkk s ILE 116 Cb 0.00 -1.85 0.08 0.00 0.01 0.00 0.00 42.46 40.70 2wkk s ILE 116 CO 0.01 0.54 2.16 0.29 0.00 0.00 0.00 174.94 177.94 2wkk n LYS 117 N 4.59 3.25 -3.94 2.79 5.02 -1.26 -4.85 118.16 123.76 2wkk n LYS 117 Ca -0.21 -2.94 -0.09 0.00 -2.02 0.00 0.00 58.31 53.05 2wkk n LYS 117 Cb 0.50 -3.10 -0.09 0.00 -0.02 0.00 0.00 35.03 32.32 2wkk n LYS 117 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2wkk s GLU 118 N 1.95 0.62 0.54 1.97 2.02 -1.26 -5.17 118.70 119.36 2wkk s GLU 118 Ca 0.46 -0.81 -0.08 0.00 0.02 0.00 0.00 54.97 54.56 2wkk s GLU 118 Cb 0.13 0.24 -0.04 0.00 0.10 0.00 0.00 34.13 34.56 2wkk s GLU 118 CO -0.05 -0.16 0.89 -0.80 0.02 0.00 0.00 175.26 175.16 2wkk s ASN 119 N -2.27 6.26 0.05 -0.19 0.01 -1.26 -5.01 114.94 112.53 2wkk s ASN 119 Ca -0.03 1.14 -0.18 0.00 -0.71 0.00 0.00 52.86 53.08 2wkk s ASN 119 Cb 0.00 -2.34 -0.06 0.00 0.41 0.00 0.00 41.25 39.26 2wkk s ASN 119 CO -0.06 -0.70 0.52 0.00 -1.51 0.00 0.00 177.10 175.35 2wkk s ALA 120 N -2.92 3.63 -0.32 0.60 0.00 -0.49 -4.32 121.76 117.93 2wkk s ALA 120 Ca 0.51 -0.05 0.10 0.00 0.00 0.00 0.00 51.96 52.51 2wkk s ALA 120 Cb -0.11 -2.55 -0.12 0.00 0.00 0.00 0.00 23.12 20.35 2wkk s ALA 120 CO 0.48 0.43 0.35 0.00 0.00 0.00 0.00 175.76 177.02 2wkk n ALA 121 N 1.74 2.98 -3.11 0.00 0.00 0.20 -0.66 120.51 121.66 2wkk n ALA 121 Ca -0.11 -0.26 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 2wkk n ALA 121 Cb 0.51 -0.34 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.12 -0.93 -0.09 0.00 0.00 -0.94 -0.87 121.76 116.81 2wkk s ALA 122 Ca 0.01 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.22 2wkk s ALA 122 Cb 0.07 0.38 -0.00 0.00 0.00 0.00 0.00 23.12 23.56 2wkk s ALA 122 CO 0.39 -0.47 -0.24 0.42 0.00 0.00 0.00 175.76 175.87 2wkk s ILE 123 N -2.63 2.02 0.23 0.00 1.01 -0.73 -1.20 121.20 119.90 2wkk s ILE 123 Ca -0.04 -1.01 0.10 0.00 0.00 0.00 0.00 60.65 59.70 2wkk s ILE 123 Cb -0.00 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 2wkk s ILE 123 CO -0.04 0.55 -0.13 0.00 0.00 0.00 0.00 174.94 175.33 2wkk s ALA 124 N 0.26 2.86 -0.13 9.38 0.00 0.16 -0.89 121.76 133.40 2wkk s ALA 124 Ca -0.16 -1.66 -0.04 0.00 0.00 0.00 0.00 51.96 50.10 2wkk s ALA 124 Cb -0.17 -0.53 0.06 0.00 0.00 0.00 0.00 23.12 22.47 2wkk s ALA 124 CO 0.08 0.36 0.14 -0.47 0.00 0.00 0.00 175.76 175.87 2wkk s TYR 125 N -2.07 -0.07 -0.04 0.00 5.04 -0.56 -1.38 117.35 118.27 2wkk s TYR 125 Ca 0.27 0.24 0.03 0.00 -2.44 0.00 0.00 57.07 55.18 2wkk s TYR 125 Cb -0.07 -0.42 0.00 0.00 0.35 0.00 0.00 41.96 41.82 2wkk s TYR 125 CO 0.15 -0.39 -0.14 -0.80 -1.34 0.00 0.00 175.55 173.03 2wkk s ASN 126 N 2.24 1.83 -0.29 4.32 0.01 0.04 0.95 114.94 124.05 2wkk s ASN 126 Ca 0.04 -0.30 -0.23 0.00 -0.71 0.00 0.00 52.86 51.66 2wkk s ASN 126 Cb -0.14 -0.55 0.14 0.00 0.41 0.00 0.00 41.25 41.11 2wkk s ASN 126 CO -0.08 0.11 1.10 0.00 -1.51 0.00 0.00 177.10 176.73 2wkk s ALA 127 N 0.17 -2.08 0.11 0.60 0.00 -1.26 -0.52 121.76 118.77 2wkk s ALA 127 Ca -0.05 1.90 -0.01 0.00 0.00 0.00 0.00 51.96 53.79 2wkk s ALA 127 Cb -0.11 -1.56 -0.19 0.00 0.00 0.00 0.00 23.12 21.26 2wkk s ALA 127 CO 0.02 -0.23 1.23 1.49 0.00 0.00 0.00 175.76 178.27 2wkk h GLU 128 N 4.34 0.24 -2.29 0.00 4.57 -1.96 -3.41 114.58 116.06 2wkk h GLU 128 Ca -0.28 -0.35 -0.54 0.00 -1.18 0.00 0.00 59.36 57.02 2wkk h GLU 128 Cb 1.18 0.12 -0.36 0.00 -0.16 0.00 0.00 28.75 29.53 2wkk h GLU 128 CO 0.14 1.12 -0.89 1.21 -1.18 0.00 0.00 179.01 179.41 2wkk s ASN 129 N -7.03 1.60 0.40 1.04 2.47 -1.26 -5.06 114.94 107.09 2wkk s ASN 129 Ca -0.03 -2.61 -0.27 0.00 0.42 0.00 0.00 52.86 50.38 2wkk s ASN 129 Cb 0.08 -0.17 -0.09 0.00 -1.45 0.00 0.00 41.25 39.62 2wkk s ASN 129 CO 0.86 -0.21 1.34 -0.55 -3.72 0.00 0.00 177.10 174.82 2wkk s SER 130 N 0.51 6.34 0.59 -4.21 0.15 -1.26 0.42 113.70 116.24 2wkk s SER 130 Ca 0.27 2.73 0.36 0.00 0.70 0.00 0.00 55.95 60.02 2wkk s SER 130 Cb -0.05 -2.64 1.87 0.00 -1.71 0.00 0.00 66.02 63.48 2wkk s SER 130 CO -0.12 -0.84 2.19 -0.07 1.20 0.00 0.00 173.24 175.61 2wkk h LEU 131 N 2.79 0.00 -9.72 3.45 3.38 -1.80 -3.41 115.31 109.99 2wkk h LEU 131 Ca -0.50 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.84 2wkk h LEU 131 Cb 1.24 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.86 2wkk h LEU 131 CO 0.63 0.03 -0.58 -0.36 0.09 0.00 0.00 178.44 178.25 2wkk s PHE 132 N -4.08 2.34 0.84 1.13 2.99 -1.26 -0.24 117.98 119.70 2wkk s PHE 132 Ca -0.03 -0.75 -0.11 0.00 0.00 0.00 0.00 56.93 56.04 2wkk s PHE 132 Cb 0.12 -1.71 0.10 0.00 0.00 0.00 0.00 43.02 41.53 2wkk s PHE 132 CO 0.50 0.37 1.10 -1.54 -0.00 0.00 0.00 175.22 175.66 2wkk s SER 133 N -3.74 3.81 -0.18 1.36 1.04 -1.26 -4.88 113.70 109.85 2wkk s SER 133 Ca 0.28 1.87 0.00 0.00 0.48 0.00 0.00 55.95 58.59 2wkk s SER 133 Cb 0.08 -2.48 0.04 0.00 0.10 0.00 0.00 66.02 63.76 2wkk s SER 133 CO 0.14 -2.49 -0.08 -0.55 0.98 0.00 0.00 173.24 171.25 2wkk s SER 134 N -3.17 3.13 0.94 7.02 0.15 -1.26 -3.66 113.70 116.86 2wkk s SER 134 Ca 0.63 -0.78 -0.15 0.00 0.70 0.00 0.00 55.95 56.35 2wkk s SER 134 Cb -0.19 -1.10 0.18 0.00 -1.71 0.00 0.00 66.02 63.20 2wkk s SER 134 CO 0.57 -0.16 1.28 -2.16 1.20 0.00 0.00 173.24 173.97 2wkk s PRO 135 N 1.50 0.80 0.11 5.44 0.04 -1.26 -4.93 135.00 136.70 2wkk s PRO 135 Ca -0.00 -0.28 -0.01 0.00 0.04 0.00 0.00 61.00 60.75 2wkk s PRO 135 Cb -0.16 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2wkk s PRO 135 CO -0.08 -2.33 0.29 0.14 0.04 0.00 0.00 177.00 175.07 2wkk s VAL 136 N -3.77 5.29 -0.05 -0.36 -7.23 -0.17 -4.72 120.40 109.38 2wkk s VAL 136 Ca 0.71 -0.29 -0.28 0.00 -1.81 0.00 0.00 61.98 60.31 2wkk s VAL 136 Cb -0.06 -3.65 -0.02 0.00 0.56 0.00 0.00 36.38 33.20 2wkk s VAL 136 CO 0.52 0.04 0.92 -0.89 -0.31 0.00 0.00 175.10 175.39 2wkk s THR 137 N -1.63 4.88 -0.18 5.32 2.01 0.07 -1.88 115.64 124.23 2wkk s THR 137 Ca 0.37 1.91 -0.00 0.00 0.31 0.00 0.00 61.69 64.28 2wkk s THR 137 Cb -0.12 -4.25 0.04 0.00 0.01 0.00 0.00 72.50 68.18 2wkk s THR 137 CO 0.27 0.12 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.56 2wkk s VAL 138 N 1.34 1.30 -0.26 3.82 1.01 -0.37 -0.20 120.40 127.03 2wkk s VAL 138 Ca 0.47 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 2wkk s VAL 138 Cb -0.19 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 2wkk s VAL 138 CO 0.22 0.14 0.16 -1.81 0.00 0.00 0.00 175.10 173.81 2wkk s ASP 139 N 1.55 5.85 -0.15 3.32 1.11 -0.62 -0.47 116.67 127.26 2wkk s ASP 139 Ca 0.00 -0.02 -0.01 0.00 0.18 0.00 0.00 52.55 52.70 2wkk s ASP 139 Cb -0.16 -2.07 -0.01 0.00 1.07 0.00 0.00 42.92 41.75 2wkk s ASP 139 CO -0.08 -0.02 -0.11 -0.69 1.18 0.00 0.00 175.17 175.45 2wkk s VAL 140 N 1.56 3.12 0.10 -1.27 1.01 0.09 -0.72 120.40 124.30 2wkk s VAL 140 Ca 0.07 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.50 2wkk s VAL 140 Cb -0.15 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2wkk s VAL 140 CO 0.08 0.51 -0.17 -1.00 0.00 0.00 0.00 175.10 174.52 2wkk s HIS 141 N 0.55 2.58 -0.53 5.22 3.76 0.47 -0.90 115.29 126.43 2wkk s HIS 141 Ca -0.07 -0.24 0.24 0.00 -0.15 0.00 0.00 55.06 54.84 2wkk s HIS 141 Cb -0.15 -1.39 0.44 0.00 1.11 0.00 0.00 32.58 32.59 2wkk s HIS 141 CO 0.03 0.37 1.55 0.78 -0.85 0.00 0.00 174.74 176.62 2wkk h GLY 142 N 3.87 0.00 -3.27 -2.22 0.00 -1.87 -1.42 103.07 98.16 2wkk h GLY 142 Ca -0.49 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 2wkk h GLY 142 CO 0.47 0.00 0.15 0.48 0.00 0.00 0.00 176.54 177.64 2wkk s LEU 143 N -5.28 -0.41 0.02 3.11 2.34 -1.23 -3.63 118.68 113.59 2wkk s LEU 143 Ca 0.07 0.11 -0.36 0.00 0.06 0.00 0.00 54.13 54.01 2wkk s LEU 143 Cb 0.09 2.44 -0.15 0.00 -0.56 0.00 0.00 46.19 48.01 2wkk s LEU 143 CO 0.67 -0.86 1.57 -0.11 -1.06 0.00 0.00 176.35 176.56 2wkk n LEU 144 N -0.03 2.51 -4.81 1.48 0.00 -1.25 -4.84 117.00 110.06 2wkk n LEU 144 Ca -0.17 1.08 -0.29 0.00 0.00 0.00 0.00 56.01 56.62 2wkk n LEU 144 Cb 0.63 -1.28 0.11 0.00 0.00 0.00 0.00 43.42 42.88 2wkk n LEU 144 CO 0.16 -0.55 0.72 -2.16 0.00 0.00 0.00 177.39 175.56 2wkk s PRO 145 N 1.73 1.65 0.49 1.96 0.04 -1.26 -4.99 135.00 134.62 2wkk s PRO 145 Ca 0.86 0.41 -0.24 0.00 0.04 0.00 0.00 61.00 62.07 2wkk s PRO 145 Cb -0.85 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 31.73 2wkk s PRO 145 CO 0.48 -1.87 1.41 -2.14 0.04 0.00 0.00 177.00 174.93 2wkk s PRO 146 N -5.27 3.47 -0.12 0.56 0.02 -1.26 -4.97 135.00 127.42 2wkk s PRO 146 Ca 0.62 2.38 -0.06 0.00 0.02 0.00 0.00 61.00 63.96 2wkk s PRO 146 Cb -0.14 -2.51 -0.04 0.00 0.02 0.00 0.00 34.50 31.83 2wkk s PRO 146 CO 0.53 -0.98 0.10 -0.51 -0.33 0.00 0.00 177.00 175.82 2wkk s LEU 147 N -3.03 4.17 0.79 -5.54 1.43 -1.26 -5.10 118.68 110.14 2wkk s LEU 147 Ca 0.65 0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 54.01 2wkk s LEU 147 Cb -0.43 -2.01 0.07 0.00 0.03 0.00 0.00 46.19 43.85 2wkk s LEU 147 CO 0.54 0.38 1.10 -2.16 0.23 0.00 0.00 176.35 176.43 2wkk s PRO 148 N -0.84 2.10 0.00 1.29 0.04 -1.26 -5.04 135.00 131.30 2wkk s PRO 148 Ca 0.14 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2wkk s PRO 148 Cb -0.12 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2wkk s PRO 148 CO 0.03 -1.77 0.00 -2.30 0.04 0.00 0.00 177.00 173.00 2wkk n PRO 149 N -3.60 1.76 0.00 0.56 -0.02 -1.26 -5.29 135.00 127.14 2wkk n PRO 149 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2wkk n PRO 149 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 2wkk n PRO 149 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48