#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrk n LEU 5 N 0.00 0.30 -0.84 -3.43 -0.00 -1.26 -4.74 117.00 107.03 2wrk n LEU 5 Ca 0.00 0.21 0.10 0.00 -0.00 0.00 0.00 56.01 56.32 2wrk n LEU 5 Cb 0.00 -0.75 0.11 0.00 -0.00 0.00 0.00 43.42 42.78 2wrk n LEU 5 CO 0.00 -0.60 0.59 2.29 -0.00 0.00 0.00 177.39 179.67 2wrk n LYS 6 N 6.84 1.88 -3.38 1.96 0.00 -1.26 -4.59 118.16 119.61 2wrk n LYS 6 Ca 0.53 -1.79 -0.26 0.00 -0.00 0.00 0.00 58.31 56.79 2wrk n LYS 6 Cb 0.02 -1.39 -0.09 0.00 -0.00 0.00 0.00 35.03 33.57 2wrk n LYS 6 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2wrk n LYS 7 N 1.14 1.02 0.00 -1.58 4.01 -1.26 -5.07 118.16 116.42 2wrk n LYS 7 Ca 0.13 -3.63 0.00 0.00 -0.51 0.00 0.00 58.31 54.30 2wrk n LYS 7 Cb 0.50 -1.67 0.00 0.00 -0.51 0.00 0.00 35.03 33.35 2wrk n LYS 7 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wrk n GLY 8 N 1.81 0.67 0.37 0.72 0.00 -1.26 -4.92 105.19 102.57 2wrk n GLY 8 Ca 0.25 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2wrk n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wrk n VAL 9 N 5.06 0.00 -0.65 1.61 0.31 -1.26 -4.96 118.33 118.44 2wrk n VAL 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wrk n VAL 9 Cb 0.00 0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 2wrk n VAL 9 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 2wrk n PHE 10 N 0.00 0.00 -2.34 3.52 -1.74 -1.26 -4.05 117.46 111.59 2wrk n PHE 10 Ca 0.00 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.46 2wrk n PHE 10 Cb 0.58 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.56 2wrk n PHE 10 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2wrk s VAL 11 N -0.23 3.88 -0.45 1.97 0.11 -1.26 -4.70 120.40 119.71 2wrk s VAL 11 Ca 0.00 0.89 -0.46 0.00 -2.93 0.00 0.00 61.98 59.48 2wrk s VAL 11 Cb 0.00 -4.19 -0.20 0.00 -1.53 0.00 0.00 36.38 30.46 2wrk s VAL 11 CO 0.00 -0.76 1.59 0.47 -3.33 0.00 0.00 175.10 173.06 2wrk n ASP 12 N 8.91 1.27 -0.18 3.54 10.43 -1.26 -4.86 116.55 134.40 2wrk n ASP 12 Ca 0.17 1.18 -0.05 0.00 2.57 0.00 0.00 54.79 58.65 2wrk n ASP 12 Cb 0.48 -0.91 0.12 0.00 1.84 0.00 0.00 41.12 42.65 2wrk n ASP 12 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 2wrk h ASP 13 N 5.12 0.92 0.00 -2.24 3.32 -2.00 -2.72 116.42 118.81 2wrk h ASP 13 Ca -0.45 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.41 2wrk h ASP 13 Cb 1.37 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2wrk h ASP 13 CO 0.96 0.91 0.00 0.00 -1.72 0.00 0.00 179.24 179.39 2wrk n HIS 14 N -4.24 0.00 -0.03 4.55 1.44 -1.26 -1.00 115.22 114.68 2wrk n HIS 14 Ca 0.04 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.68 2wrk n HIS 14 Cb 0.26 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.35 2wrk n HIS 14 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2wrk n LEU 15 N -0.64 1.11 0.14 2.39 7.99 -1.03 -4.10 117.00 122.86 2wrk n LEU 15 Ca 0.00 0.17 0.11 0.00 -0.01 0.00 0.00 56.01 56.28 2wrk n LEU 15 Cb 0.00 -0.41 0.61 0.00 -0.11 0.00 0.00 43.42 43.51 2wrk n LEU 15 CO 0.00 -0.19 1.12 -0.07 -1.51 0.00 0.00 177.39 176.74 2wrk h LEU 16 N -0.39 0.09 0.36 2.23 4.07 -1.15 1.49 115.31 122.01 2wrk h LEU 16 Ca -0.13 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.81 2wrk h LEU 16 Cb 0.80 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.52 2wrk h LEU 16 CO -0.08 0.06 -0.17 -0.08 -1.08 0.00 0.00 178.44 177.09 2wrk h GLU 17 N 0.10 -0.46 0.00 1.13 4.81 -1.33 0.44 114.58 119.27 2wrk h GLU 17 Ca 0.10 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2wrk h GLU 17 Cb 0.27 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2wrk h GLU 17 CO -0.01 -0.15 0.00 1.17 -0.73 0.00 0.00 179.01 179.29 2wrk n LYS 18 N -5.16 0.33 -0.12 1.92 3.00 -0.41 -1.77 118.16 115.94 2wrk n LYS 18 Ca -0.10 0.09 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 2wrk n LYS 18 Cb 0.28 -1.50 -0.10 0.00 0.00 0.00 0.00 35.03 33.70 2wrk n LYS 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2wrk n VAL 19 N -1.22 1.35 0.29 3.15 0.31 0.50 -4.25 118.33 118.46 2wrk n VAL 19 Ca 0.10 -0.48 0.12 0.00 -0.01 0.00 0.00 64.34 64.07 2wrk n VAL 19 Cb 0.12 -1.44 0.12 0.00 -0.91 0.00 0.00 33.84 31.73 2wrk n VAL 19 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wrk h LEU 20 N -0.20 0.00 -0.04 7.52 3.38 -0.07 -2.63 115.31 123.26 2wrk h LEU 20 Ca -0.55 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2wrk h LEU 20 Cb 1.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.51 2wrk h LEU 20 CO -0.15 0.02 0.00 -1.84 0.09 0.00 0.00 178.44 176.57 2wrk n GLU 21 N -2.63 0.26 -0.61 1.13 0.28 -0.73 -1.80 120.64 116.53 2wrk n GLU 21 Ca 0.02 0.23 0.02 0.00 -0.16 0.00 0.00 57.16 57.27 2wrk n GLU 21 Cb 0.51 -1.81 0.24 0.00 1.43 0.00 0.00 31.44 31.81 2wrk n GLU 21 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2wrk n LEU 22 N -2.26 4.13 -0.01 -1.84 7.99 -1.13 -4.15 117.00 119.74 2wrk n LEU 22 Ca 0.05 -3.31 0.02 0.00 -0.01 0.00 0.00 56.01 52.76 2wrk n LEU 22 Cb 0.42 -0.59 -0.04 0.00 -0.11 0.00 0.00 43.42 43.09 2wrk n LEU 22 CO 0.30 0.89 -0.59 -3.20 -1.51 0.00 0.00 177.39 173.28 2wrk n ASN 23 N -0.75 3.69 -4.52 -1.43 5.15 -0.75 -3.24 115.26 113.42 2wrk n ASN 23 Ca 0.28 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.82 2wrk n ASN 23 Cb 0.99 1.14 -0.00 0.00 -0.53 0.00 0.00 39.78 41.38 2wrk n ASN 23 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wrk s ALA 24 N -2.35 3.63 0.00 5.20 0.00 -1.12 -2.84 121.76 124.28 2wrk s ALA 24 Ca -0.02 -3.10 0.00 0.00 0.00 0.00 0.00 51.96 48.84 2wrk s ALA 24 Cb 0.03 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.79 2wrk s ALA 24 CO 0.23 -3.04 0.00 1.63 0.00 0.00 0.00 175.76 174.58 2wrk n LYS 25 N 7.01 0.00 -1.75 0.00 5.02 -1.26 -4.85 118.16 122.33 2wrk n LYS 25 Ca 0.41 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 2wrk n LYS 25 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 2wrk n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrk n GLY 26 N -1.69 0.00 0.00 0.72 0.00 -1.13 -4.91 105.19 98.18 2wrk n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wrk n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wrk n GLU 27 N -0.32 0.00 0.00 1.61 4.71 -1.25 -4.97 120.64 120.42 2wrk n GLU 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2wrk n GLU 27 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 2wrk n GLU 27 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wrk n LYS 28 N 0.00 2.72 0.00 3.49 4.76 -1.26 -5.02 118.16 122.85 2wrk n LYS 28 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wrk n LYS 28 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wrk n LYS 28 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2wrk n ARG 29 N 0.00 0.00 -0.39 1.97 -4.01 -1.26 -4.89 116.66 108.08 2wrk n ARG 29 Ca 0.00 0.00 -0.12 0.00 -1.04 0.00 0.00 57.85 56.69 2wrk n ARG 29 Cb 0.00 0.00 -0.01 0.00 -3.04 0.00 0.00 32.46 29.41 2wrk n ARG 29 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2wrk n LEU 30 N 0.00 2.61 -4.42 2.89 0.00 -1.26 -4.16 117.00 112.65 2wrk n LEU 30 Ca 0.00 -1.99 -0.44 0.00 0.00 0.00 0.00 56.01 53.57 2wrk n LEU 30 Cb 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 43.42 42.58 2wrk n LEU 30 CO 0.00 -0.25 0.75 -0.51 0.00 0.00 0.00 177.39 177.38 2wrk s ILE 31 N 4.13 4.74 -0.75 1.96 2.07 -1.25 -4.98 121.20 127.11 2wrk s ILE 31 Ca 0.21 -1.27 -0.27 0.00 -1.41 0.00 0.00 60.65 57.92 2wrk s ILE 31 Cb 0.05 -4.67 0.03 0.00 0.13 0.00 0.00 42.46 38.00 2wrk s ILE 31 CO -0.02 -1.37 1.37 -0.54 -1.91 0.00 0.00 174.94 172.47 2wrk s LYS 32 N 2.75 3.16 0.45 3.50 1.02 -1.26 -1.70 119.74 127.66 2wrk s LYS 32 Ca 0.24 -0.23 0.08 0.00 0.02 0.00 0.00 55.97 56.07 2wrk s LYS 32 Cb -0.12 -4.32 -0.00 0.00 -0.52 0.00 0.00 37.83 32.86 2wrk s LYS 32 CO -0.02 -2.23 0.43 -0.08 -0.92 0.00 0.00 175.35 172.53 2wrk s THR 33 N 6.08 2.50 0.00 2.17 -1.32 -1.26 -4.94 115.64 118.87 2wrk s THR 33 Ca 0.40 -1.31 0.00 0.00 -1.21 0.00 0.00 61.69 59.57 2wrk s THR 33 Cb -0.08 -2.81 0.00 0.00 -1.51 0.00 0.00 72.50 68.10 2wrk s THR 33 CO 0.13 0.00 0.00 0.79 -2.21 0.00 0.00 174.62 173.33 2wrk n TRP 34 N -1.66 0.00 -1.35 9.09 8.01 -1.26 -2.90 117.44 127.36 2wrk n TRP 34 Ca 0.04 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.85 2wrk n TRP 34 Cb 0.62 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.90 2wrk n TRP 34 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2wrk n SER 35 N -0.74 5.68 0.06 -0.99 3.41 -1.26 -4.56 113.62 115.23 2wrk n SER 35 Ca 0.00 -2.64 0.04 0.00 -0.26 0.00 0.00 58.87 56.01 2wrk n SER 35 Cb 0.00 -1.47 0.22 0.00 -0.26 0.00 0.00 64.21 62.71 2wrk n SER 35 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2wrk n ARG 36 N 4.99 0.05 0.00 4.33 1.85 -1.26 -1.32 116.66 125.31 2wrk n ARG 36 Ca 0.61 0.53 0.14 0.00 -1.00 0.00 0.00 57.85 58.13 2wrk n ARG 36 Cb 0.29 -1.66 0.61 0.00 -1.05 0.00 0.00 32.46 30.65 2wrk n ARG 36 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2wrk n ARG 37 N -1.77 0.67 -3.57 2.89 1.85 -1.26 -1.34 116.66 114.12 2wrk n ARG 37 Ca -0.00 -0.22 -0.37 0.00 -1.00 0.00 0.00 57.85 56.25 2wrk n ARG 37 Cb 0.02 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.87 2wrk n ARG 37 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2wrk s SER 38 N -2.49 6.57 0.53 2.89 1.04 -0.43 -4.92 113.70 116.90 2wrk s SER 38 Ca 0.28 0.68 -0.20 0.00 0.48 0.00 0.00 55.95 57.20 2wrk s SER 38 Cb 0.20 -2.19 -0.08 0.00 0.10 0.00 0.00 66.02 64.05 2wrk s SER 38 CO 0.48 0.23 0.76 0.41 0.98 0.00 0.00 173.24 176.10 2wrk n THR 39 N 2.67 2.70 -2.28 2.02 -1.04 -1.26 -3.24 114.28 113.86 2wrk n THR 39 Ca -0.14 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 60.95 2wrk n THR 39 Cb 0.53 -0.91 -0.02 0.00 -1.82 0.00 0.00 70.33 68.10 2wrk n THR 39 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2wrk s ILE 40 N -1.54 4.02 -0.44 12.58 1.01 -0.98 -4.83 121.20 131.02 2wrk s ILE 40 Ca 0.69 1.25 -0.32 0.00 0.00 0.00 0.00 60.65 62.27 2wrk s ILE 40 Cb -0.47 -3.81 -0.15 0.00 0.01 0.00 0.00 42.46 38.04 2wrk s ILE 40 CO 0.53 -0.10 1.68 1.33 0.00 0.00 0.00 174.94 178.38 2wrk n VAL 41 N 5.34 0.00 0.00 2.92 0.24 -1.26 -4.57 118.33 120.99 2wrk n VAL 41 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 2wrk n VAL 41 Cb 0.44 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 2wrk n VAL 41 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2wrk n PRO 42 N 5.79 0.00 0.00 7.34 -0.02 -1.26 -3.71 135.00 143.14 2wrk n PRO 42 Ca 0.43 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2wrk n PRO 42 Cb -0.02 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 2wrk n PRO 42 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wrk n GLU 43 N -0.42 0.00 -1.49 -0.52 1.02 -1.26 -5.08 120.64 112.89 2wrk n GLU 43 Ca 0.00 0.00 -0.61 0.00 -0.02 0.00 0.00 57.16 56.53 2wrk n GLU 43 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 2wrk n GLU 43 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2wrk n MET 44 N -1.94 0.32 -4.70 3.49 2.81 -1.24 -4.95 117.12 110.90 2wrk n MET 44 Ca 0.00 0.10 -0.31 0.00 -1.81 0.00 0.00 57.70 55.68 2wrk n MET 44 Cb 0.00 -1.72 -0.09 0.00 -0.71 0.00 0.00 33.22 30.70 2wrk n MET 44 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2wrk s VAL 45 N 4.96 1.47 0.00 2.03 -7.23 -1.26 -4.77 120.40 115.59 2wrk s VAL 45 Ca 1.11 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 2wrk s VAL 45 Cb -1.35 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 33.11 2wrk s VAL 45 CO 0.68 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.08 2wrk n GLY 46 N -1.14 0.48 3.52 2.32 0.00 -0.33 -4.82 105.19 105.22 2wrk n GLY 46 Ca -0.14 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 2wrk n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wrk n HIS 47 N 0.00 0.44 -1.71 1.61 -0.00 -1.26 -4.38 115.22 109.91 2wrk n HIS 47 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.30 2wrk n HIS 47 Cb 0.00 -1.31 -0.03 0.00 -0.00 0.00 0.00 29.99 28.65 2wrk n HIS 47 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2wrk n THR 48 N 6.73 0.05 -4.54 1.59 -2.24 -1.26 -4.49 114.28 110.13 2wrk n THR 48 Ca 0.60 -0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 62.04 2wrk n THR 48 Cb 0.24 -1.94 -0.15 0.00 -2.10 0.00 0.00 70.33 66.38 2wrk n THR 48 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2wrk s ILE 49 N 1.09 2.63 0.00 2.28 1.01 0.74 -3.90 121.20 125.06 2wrk s ILE 49 Ca 0.75 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 2wrk s ILE 49 Cb -0.52 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 2wrk s ILE 49 CO 0.34 0.52 1.01 0.00 0.00 0.00 0.00 174.94 176.80 2wrk n ALA 50 N 4.05 2.64 -1.31 9.38 0.00 -0.69 -2.63 120.51 131.96 2wrk n ALA 50 Ca -0.19 -0.16 -0.54 0.00 0.00 0.00 0.00 53.44 52.55 2wrk n ALA 50 Cb 0.52 -1.75 -0.09 0.00 0.00 0.00 0.00 19.45 18.13 2wrk n ALA 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wrk n VAL 51 N 2.02 0.00 -2.35 0.00 0.31 -1.25 -3.61 118.33 113.46 2wrk n VAL 51 Ca 0.04 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.05 2wrk n VAL 51 Cb 0.24 -0.41 -0.02 0.00 -0.91 0.00 0.00 33.84 32.73 2wrk n VAL 51 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2wrk s TYR 52 N 3.26 3.50 -0.41 3.52 5.04 -1.14 -1.12 117.35 129.99 2wrk s TYR 52 Ca 0.91 1.36 0.08 0.00 -2.44 0.00 0.00 57.07 56.98 2wrk s TYR 52 Cb -1.24 -2.72 0.27 0.00 0.35 0.00 0.00 41.96 38.62 2wrk s TYR 52 CO 0.63 -0.40 0.68 0.27 -1.34 0.00 0.00 175.55 175.39 2wrk n ASN 53 N -1.81 -0.57 0.00 4.32 0.23 -1.20 -4.83 115.26 111.39 2wrk n ASN 53 Ca 0.06 -2.95 0.00 0.00 -0.53 0.00 0.00 54.58 51.16 2wrk n ASN 53 Cb 0.54 0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.33 2wrk n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wrk n GLY 54 N 1.20 0.00 0.02 4.83 0.00 -1.26 -4.29 105.19 105.68 2wrk n GLY 54 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2wrk n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wrk n LYS 55 N -0.05 0.00 -4.10 1.61 3.00 -1.26 -5.11 118.16 112.25 2wrk n LYS 55 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 2wrk n LYS 55 Cb 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 35.03 34.83 2wrk n LYS 55 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 2wrk s GLN 56 N -0.22 0.89 -0.46 1.64 -2.07 -1.26 -5.11 119.66 113.07 2wrk s GLN 56 Ca 0.00 -1.34 -0.28 0.00 -1.82 0.00 0.00 55.36 51.92 2wrk s GLN 56 Cb 0.00 0.26 -0.00 0.00 -1.09 0.00 0.00 33.01 32.17 2wrk s GLN 56 CO 0.00 -0.25 1.60 -1.01 -1.32 0.00 0.00 175.29 174.31 2wrk s HIS 57 N -4.01 2.07 -0.85 9.60 3.76 -1.26 -3.26 115.29 121.35 2wrk s HIS 57 Ca 0.19 0.62 -0.25 0.00 -0.15 0.00 0.00 55.06 55.47 2wrk s HIS 57 Cb 0.07 -4.24 0.03 0.00 1.11 0.00 0.00 32.58 29.54 2wrk s HIS 57 CO -0.01 -2.31 1.45 0.14 -0.85 0.00 0.00 174.74 173.15 2wrk s VAL 58 N 6.64 3.75 -0.71 -0.90 -7.23 -0.27 -4.84 120.40 116.83 2wrk s VAL 58 Ca 0.65 -0.12 -0.28 0.00 -1.81 0.00 0.00 61.98 60.42 2wrk s VAL 58 Cb -0.15 -4.82 -0.13 0.00 0.56 0.00 0.00 36.38 31.83 2wrk s VAL 58 CO 0.29 -1.74 2.54 -0.81 -0.31 0.00 0.00 175.10 175.07 2wrk n PRO 59 N 9.13 0.60 -4.78 4.82 -0.04 -1.26 -3.77 135.00 139.70 2wrk n PRO 59 Ca 0.19 -0.01 -0.32 0.00 -0.04 0.00 0.00 63.50 63.33 2wrk n PRO 59 Cb 0.50 -2.62 -0.17 0.00 -0.04 0.00 0.00 33.50 31.17 2wrk n PRO 59 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wrk s VAL 60 N 10.89 1.99 0.00 0.52 0.11 -1.08 -4.95 120.40 127.88 2wrk s VAL 60 Ca 1.14 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 2wrk s VAL 60 Cb -0.64 -1.75 0.00 0.00 -1.53 0.00 0.00 36.38 32.46 2wrk s VAL 60 CO 0.36 0.54 0.00 0.00 -3.33 0.00 0.00 175.10 172.67 2wrk n TYR 61 N 3.95 -1.24 -2.75 1.54 9.36 -1.26 -0.19 117.16 126.58 2wrk n TYR 61 Ca -0.20 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 60.96 2wrk n TYR 61 Cb 0.52 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.27 2wrk n TYR 61 CO 0.00 0.00 0.00 1.51 0.22 0.00 0.00 176.86 178.59 2wrk n ILE 62 N -2.02 0.00 0.00 2.97 0.13 -1.26 -4.35 119.36 114.82 2wrk n ILE 62 Ca 0.00 -1.31 0.00 0.00 -1.10 0.00 0.00 62.75 60.34 2wrk n ILE 62 Cb 0.00 1.34 0.00 0.00 -0.84 0.00 0.00 39.64 40.14 2wrk n ILE 62 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 2wrk n THR 63 N 1.98 0.00 -0.06 9.51 -2.24 -1.26 -1.18 114.28 121.02 2wrk n THR 63 Ca 0.11 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.67 2wrk n THR 63 Cb 0.62 -0.21 -0.13 0.00 -2.10 0.00 0.00 70.33 68.51 2wrk n THR 63 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2wrk n GLU 64 N 0.00 0.68 -0.30 -0.78 2.13 -1.26 -4.56 120.64 116.55 2wrk n GLU 64 Ca 0.00 0.31 -0.04 0.00 0.66 0.00 0.00 57.16 58.09 2wrk n GLU 64 Cb 0.00 -1.66 0.02 0.00 0.27 0.00 0.00 31.44 30.07 2wrk n GLU 64 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2wrk h ASN 65 N -0.28 -1.37 -0.56 4.31 2.35 -2.04 -3.34 115.58 114.65 2wrk h ASN 65 Ca -0.47 0.28 -0.22 0.00 -0.55 0.00 0.00 56.30 55.33 2wrk h ASN 65 Cb 1.81 0.69 -0.03 0.00 0.05 0.00 0.00 38.32 40.83 2wrk h ASN 65 CO -0.06 -0.30 0.60 0.00 -1.65 0.00 0.00 177.43 176.02 2wrk s MET 66 N -5.94 2.26 -0.10 0.81 0.23 -1.26 -4.74 119.30 110.55 2wrk s MET 66 Ca -0.14 -0.28 -0.09 0.00 -1.03 0.00 0.00 55.69 54.15 2wrk s MET 66 Cb 0.18 -5.03 -0.03 0.00 -1.53 0.00 0.00 34.83 28.42 2wrk s MET 66 CO 0.70 -3.83 -0.17 0.28 -2.03 0.00 0.00 175.02 169.96 2wrk n VAL 67 N 8.13 0.95 0.02 5.16 0.31 -1.26 -4.75 118.33 126.88 2wrk n VAL 67 Ca 0.42 0.29 -0.18 0.00 -0.01 0.00 0.00 64.34 64.86 2wrk n VAL 67 Cb 0.46 -2.06 -0.13 0.00 -0.91 0.00 0.00 33.84 31.20 2wrk n VAL 67 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2wrk h GLY 68 N -0.65 0.36 -4.02 2.92 0.00 -1.85 -3.29 103.07 96.54 2wrk h GLY 68 Ca 0.00 -0.74 -0.54 0.00 0.00 0.00 0.00 47.33 46.05 2wrk h GLY 68 CO 0.00 0.65 -0.37 1.42 0.00 0.00 0.00 176.54 178.24 2wrk n HIS 69 N -4.23 -0.29 -2.59 5.60 -0.00 -1.26 -3.34 115.22 109.10 2wrk n HIS 69 Ca -0.12 0.77 -0.38 0.00 -0.00 0.00 0.00 57.72 57.99 2wrk n HIS 69 Cb 0.71 -1.56 -0.05 0.00 -0.00 0.00 0.00 29.99 29.09 2wrk n HIS 69 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2wrk s LYS 70 N -0.70 4.47 0.23 -0.41 -0.14 -1.26 -2.32 119.74 119.60 2wrk s LYS 70 Ca 0.53 1.56 -0.16 0.00 -1.36 0.00 0.00 55.97 56.54 2wrk s LYS 70 Cb -0.76 -2.87 0.26 0.00 -1.68 0.00 0.00 37.83 32.78 2wrk s LYS 70 CO 0.44 0.12 1.57 -0.07 -0.76 0.00 0.00 175.35 176.65 2wrk h LEU 71 N 3.21 -1.22 -0.99 3.17 3.38 -1.52 0.27 115.31 121.61 2wrk h LEU 71 Ca -0.47 0.28 0.32 0.00 0.09 0.00 0.00 57.88 58.10 2wrk h LEU 71 Cb 1.21 0.67 -0.18 0.00 0.09 0.00 0.00 40.66 42.45 2wrk h LEU 71 CO 0.65 -0.30 0.22 1.23 0.09 0.00 0.00 178.44 180.33 2wrk h GLY 72 N -0.03 1.62 0.63 0.83 0.00 -1.52 0.26 103.07 104.85 2wrk h GLY 72 Ca 0.35 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2wrk h GLY 72 CO -0.91 -0.61 0.12 1.18 0.00 0.00 0.00 176.54 176.31 2wrk n GLU 73 N -5.39 0.00 -2.35 4.80 1.02 0.95 0.06 120.64 119.73 2wrk n GLU 73 Ca 0.28 0.09 -0.16 0.00 -0.02 0.00 0.00 57.16 57.35 2wrk n GLU 73 Cb 0.94 -1.62 0.03 0.00 -0.02 0.00 0.00 31.44 30.77 2wrk n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2wrk n PHE 74 N -0.93 2.27 -2.71 -0.32 3.72 0.91 -4.82 117.46 115.59 2wrk n PHE 74 Ca 0.00 -2.31 -0.07 0.00 -0.05 0.00 0.00 57.45 55.02 2wrk n PHE 74 Cb 0.12 -0.28 0.09 0.00 -0.94 0.00 0.00 39.48 38.46 2wrk n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wrk n ALA 75 N -0.62 -1.78 -1.47 4.37 0.00 0.11 -4.90 120.51 116.21 2wrk n ALA 75 Ca 0.30 -1.05 -0.54 0.00 0.00 0.00 0.00 53.44 52.15 2wrk n ALA 75 Cb 0.88 -1.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 2wrk n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wrk n PRO 76 N 0.68 0.12 0.02 0.00 -0.04 -1.26 -4.84 135.00 129.68 2wrk n PRO 76 Ca 0.03 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.44 2wrk n PRO 76 Cb 0.71 -1.38 -0.13 0.00 -0.04 0.00 0.00 33.50 32.66 2wrk n PRO 76 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2wrk h THR 77 N 2.30 1.26 -3.12 0.52 1.35 -1.93 -3.47 112.91 109.82 2wrk h THR 77 Ca -0.43 -3.03 -0.56 0.00 -0.55 0.00 0.00 66.41 61.85 2wrk h THR 77 Cb 1.42 2.65 -0.03 0.00 -1.73 0.00 0.00 68.15 70.46 2wrk h THR 77 CO 0.63 0.74 -0.28 -0.13 -0.25 0.00 0.00 175.52 176.23 2wrk s ARG 78 N -2.65 3.61 0.43 4.72 0.52 -1.26 -4.99 118.95 119.33 2wrk s ARG 78 Ca -0.03 -0.10 -0.01 0.00 -0.52 0.00 0.00 55.73 55.07 2wrk s ARG 78 Cb 0.09 -2.80 -0.02 0.00 0.52 0.00 0.00 34.95 32.74 2wrk s ARG 78 CO 0.83 0.40 0.67 0.99 0.02 0.00 0.00 175.30 178.21 2wrk s THR 79 N -1.78 4.45 -0.98 0.02 2.01 -1.26 -4.55 115.64 113.55 2wrk s THR 79 Ca 0.41 -0.35 -0.09 0.00 0.31 0.00 0.00 61.69 61.97 2wrk s THR 79 Cb -0.12 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 2wrk s THR 79 CO 0.26 -0.49 0.79 0.00 -0.69 0.00 0.00 174.62 174.49 2wrk n TYR 80 N -2.05 -2.35 -0.41 4.92 9.36 -1.26 -4.99 117.16 120.38 2wrk n TYR 80 Ca -0.00 0.78 -0.01 0.00 3.32 0.00 0.00 57.90 61.99 2wrk n TYR 80 Cb 0.57 -3.73 0.01 0.00 -0.63 0.00 0.00 39.34 35.55 2wrk n TYR 80 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wrk n ARG 81 N -3.15 -1.26 0.00 2.98 5.12 -1.26 -5.27 116.66 113.82 2wrk n ARG 81 Ca -0.09 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 2wrk n ARG 81 Cb 0.59 -0.04 0.00 0.00 -1.16 0.00 0.00 32.46 31.85 2wrk n ARG 81 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11