#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrk n VAL 2 N 0.00 -0.06 -3.77 3.17 3.14 -1.26 -2.89 118.33 116.66 2wrk n VAL 2 Ca 0.00 -0.67 -0.35 0.00 -2.96 0.00 0.00 64.34 60.36 2wrk n VAL 2 Cb 0.00 -2.44 -0.08 0.00 -1.06 0.00 0.00 33.84 30.26 2wrk n VAL 2 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2wrk s LYS 3 N 8.35 4.06 -0.80 1.45 1.02 -0.66 -1.80 119.74 131.36 2wrk s LYS 3 Ca 1.04 -0.21 -0.23 0.00 0.02 0.00 0.00 55.97 56.59 2wrk s LYS 3 Cb -0.35 -3.37 0.07 0.00 -0.52 0.00 0.00 37.83 33.66 2wrk s LYS 3 CO 0.30 0.37 1.16 0.42 -0.92 0.00 0.00 175.35 176.68 2wrk s ILE 4 N 0.14 4.22 0.00 2.17 1.01 -1.14 -2.30 121.20 125.30 2wrk s ILE 4 Ca 0.09 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.18 2wrk s ILE 4 Cb -0.11 -4.82 0.00 0.00 0.01 0.00 0.00 42.46 37.53 2wrk s ILE 4 CO -0.01 -1.64 0.00 -2.11 0.00 0.00 0.00 174.94 171.18 2wrk n ARG 5 N 8.00 3.89 -4.52 2.79 1.85 -0.72 -2.64 116.66 125.29 2wrk n ARG 5 Ca 0.11 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.63 2wrk n ARG 5 Cb 0.48 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.78 2wrk n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2wrk s LEU 6 N 0.00 3.22 -0.10 2.89 1.02 -1.26 -2.19 118.68 122.26 2wrk s LEU 6 Ca 0.00 -0.05 0.02 0.00 0.02 0.00 0.00 54.13 54.12 2wrk s LEU 6 Cb 0.00 -1.77 0.01 0.00 0.02 0.00 0.00 46.19 44.45 2wrk s LEU 6 CO 0.00 0.33 -0.16 0.00 0.02 0.00 0.00 176.35 176.53 2wrk s ALA 7 N -0.90 1.73 -0.14 4.21 0.00 -0.50 -4.92 121.76 121.24 2wrk s ALA 7 Ca 0.15 -0.74 -0.19 0.00 0.00 0.00 0.00 51.96 51.18 2wrk s ALA 7 Cb -0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 2wrk s ALA 7 CO 0.04 0.00 0.50 0.50 0.00 0.00 0.00 175.76 176.81 2wrk s ARG 8 N 0.84 4.31 0.00 0.00 3.52 -1.26 0.12 118.95 126.48 2wrk s ARG 8 Ca -0.10 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 55.98 2wrk s ARG 8 Cb -0.15 -3.47 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 2wrk s ARG 8 CO 0.01 0.07 0.00 1.19 -0.81 0.00 0.00 175.30 175.76 2wrk n PHE 9 N 3.96 0.00 -4.37 5.12 3.72 0.22 -4.89 117.46 121.22 2wrk n PHE 9 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2wrk n PHE 9 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 2wrk n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wrk n GLY 10 N 2.63 2.59 0.00 1.37 0.00 -1.25 -4.00 105.19 106.53 2wrk n GLY 10 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2wrk n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wrk n SER 11 N 0.20 1.20 -4.82 1.61 7.64 -1.21 -4.97 113.62 113.27 2wrk n SER 11 Ca 0.00 -0.65 -0.33 0.00 1.01 0.00 0.00 58.87 58.91 2wrk n SER 11 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 2wrk n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2wrk s LYS 12 N -0.94 3.61 -0.33 1.43 2.20 -1.26 -3.31 119.74 121.13 2wrk s LYS 12 Ca 0.00 1.13 0.00 0.00 -0.36 0.00 0.00 55.97 56.74 2wrk s LYS 12 Cb 0.00 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.24 2wrk s LYS 12 CO 0.00 -0.57 0.00 0.72 -0.36 0.00 0.00 175.35 175.14 2wrk n HIS 13 N -1.75 -0.33 -2.72 4.03 8.25 -1.26 -4.66 115.22 116.78 2wrk n HIS 13 Ca 0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.43 2wrk n HIS 13 Cb 0.53 -1.36 0.02 0.00 1.12 0.00 0.00 29.99 30.31 2wrk n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2wrk n ASN 14 N 1.03 1.48 -4.48 0.41 5.15 -1.21 -5.12 115.26 112.53 2wrk n ASN 14 Ca -0.03 -2.79 -0.48 0.00 -0.60 0.00 0.00 54.58 50.68 2wrk n ASN 14 Cb 0.18 -0.54 -0.03 0.00 -0.53 0.00 0.00 39.78 38.86 2wrk n ASN 14 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2wrk n PRO 15 N -0.03 0.47 -3.33 1.20 -0.02 -1.25 -3.29 135.00 128.74 2wrk n PRO 15 Ca 0.12 0.16 -0.09 0.00 -2.02 0.00 0.00 63.50 61.67 2wrk n PRO 15 Cb 0.79 -1.36 -0.07 0.00 -0.02 0.00 0.00 33.50 32.84 2wrk n PRO 15 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2wrk s HIS 16 N -0.82 -0.91 0.31 6.00 3.76 -1.26 -4.54 115.29 117.84 2wrk s HIS 16 Ca 0.66 0.55 -0.06 0.00 -0.15 0.00 0.00 55.06 56.06 2wrk s HIS 16 Cb -0.90 -0.08 -0.05 0.00 1.11 0.00 0.00 32.58 32.66 2wrk s HIS 16 CO 0.57 -0.86 0.60 0.71 -0.85 0.00 0.00 174.74 174.91 2wrk s TYR 17 N 2.54 3.47 -0.17 1.40 1.51 -0.87 0.72 117.35 125.96 2wrk s TYR 17 Ca 0.11 0.74 0.01 0.00 -1.01 0.00 0.00 57.07 56.92 2wrk s TYR 17 Cb -0.14 -2.18 0.02 0.00 -0.11 0.00 0.00 41.96 39.55 2wrk s TYR 17 CO -0.24 0.11 -0.19 0.50 -1.11 0.00 0.00 175.55 174.62 2wrk s ARG 18 N -3.60 2.85 -0.62 -0.62 3.52 0.33 -0.76 118.95 120.05 2wrk s ARG 18 Ca 0.46 -0.78 -0.27 0.00 -0.13 0.00 0.00 55.73 55.01 2wrk s ARG 18 Cb -0.11 -2.47 0.01 0.00 -1.56 0.00 0.00 34.95 30.82 2wrk s ARG 18 CO 0.30 -0.21 1.52 0.42 -0.81 0.00 0.00 175.30 176.53 2wrk s ILE 19 N 1.30 3.63 0.05 4.11 -1.09 0.77 -1.41 121.20 128.57 2wrk s ILE 19 Ca 0.04 0.45 0.07 0.00 -2.23 0.00 0.00 60.65 58.98 2wrk s ILE 19 Cb -0.13 -4.40 -0.03 0.00 -1.58 0.00 0.00 42.46 36.32 2wrk s ILE 19 CO -0.12 -1.26 -0.19 0.54 -1.23 0.00 0.00 174.94 172.68 2wrk s VAL 20 N 6.88 1.51 -0.41 2.92 0.11 -0.93 -0.12 120.40 130.36 2wrk s VAL 20 Ca 0.53 -1.20 -0.16 0.00 -2.93 0.00 0.00 61.98 58.21 2wrk s VAL 20 Cb -0.11 -1.33 0.02 0.00 -1.53 0.00 0.00 36.38 33.42 2wrk s VAL 20 CO 0.21 0.10 0.40 0.54 -3.33 0.00 0.00 175.10 173.02 2wrk s VAL 21 N -0.88 5.14 0.11 2.04 0.11 -0.08 -1.76 120.40 125.07 2wrk s VAL 21 Ca 0.05 -0.37 0.03 0.00 -2.93 0.00 0.00 61.98 58.76 2wrk s VAL 21 Cb -0.09 -3.99 -0.04 0.00 -1.53 0.00 0.00 36.38 30.73 2wrk s VAL 21 CO 0.02 -0.36 -0.08 0.28 -3.33 0.00 0.00 175.10 171.64 2wrk s THR 22 N 2.02 0.82 0.51 5.04 -1.32 -0.97 -2.14 115.64 119.60 2wrk s THR 22 Ca 0.10 -1.88 -0.22 0.00 -1.21 0.00 0.00 61.69 58.49 2wrk s THR 22 Cb -0.17 -1.62 -0.06 0.00 -1.51 0.00 0.00 72.50 69.14 2wrk s THR 22 CO 0.13 -0.78 1.27 -0.62 -2.21 0.00 0.00 174.62 172.41 2wrk s ASP 23 N -2.91 5.63 0.24 8.08 -1.08 -1.26 -1.65 116.67 123.73 2wrk s ASP 23 Ca 0.11 2.56 -0.07 0.00 -0.52 0.00 0.00 52.55 54.63 2wrk s ASP 23 Cb 0.03 -2.62 0.24 0.00 -1.46 0.00 0.00 42.92 39.11 2wrk s ASP 23 CO -0.03 -1.30 1.92 0.00 0.52 0.00 0.00 175.17 176.28 2wrk h ALA 24 N 1.68 1.22 0.00 3.66 0.00 -1.85 -2.87 119.26 121.09 2wrk h ALA 24 Ca -0.50 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2wrk h ALA 24 Cb 1.28 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2wrk h ALA 24 CO 0.58 0.60 0.00 0.54 0.00 0.00 0.00 179.25 180.98 2wrk n ARG 25 N -4.42 0.64 -1.49 0.00 1.74 -1.26 -4.79 116.66 107.08 2wrk n ARG 25 Ca 0.11 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.05 2wrk n ARG 25 Cb 0.01 -1.10 0.08 0.00 -1.02 0.00 0.00 32.46 30.44 2wrk n ARG 25 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wrk n ARG 26 N -0.29 -0.13 -3.92 5.56 5.12 -1.09 -5.09 116.66 116.82 2wrk n ARG 26 Ca 0.00 -1.40 -0.21 0.00 -1.93 0.00 0.00 57.85 54.31 2wrk n ARG 26 Cb 0.05 -0.52 -0.02 0.00 -1.16 0.00 0.00 32.46 30.81 2wrk n ARG 26 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2wrk s LYS 27 N -4.18 3.38 0.24 5.56 -2.85 -1.26 -4.99 119.74 115.64 2wrk s LYS 27 Ca 0.39 -0.80 -0.07 0.00 -1.00 0.00 0.00 55.97 54.49 2wrk s LYS 27 Cb -0.02 -2.87 0.42 0.00 -2.06 0.00 0.00 37.83 33.30 2wrk s LYS 27 CO 0.27 0.39 1.64 -0.09 0.10 0.00 0.00 175.35 177.66 2wrk h ARG 28 N 1.16 0.11 -0.40 1.78 2.43 -1.96 -2.09 114.38 115.41 2wrk h ARG 28 Ca -0.51 -0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 58.42 2wrk h ARG 28 Cb 1.23 -0.03 -0.14 0.00 -0.42 0.00 0.00 29.97 30.62 2wrk h ARG 28 CO 0.60 0.07 -0.12 -0.25 -1.51 0.00 0.00 179.97 178.76 2wrk n ASP 29 N -5.32 2.86 -2.12 -3.80 10.43 -1.26 -4.59 116.55 112.74 2wrk n ASP 29 Ca 0.13 -3.80 0.00 0.00 2.57 0.00 0.00 54.79 53.69 2wrk n ASP 29 Cb 0.46 -0.62 0.00 0.00 1.84 0.00 0.00 41.12 42.79 2wrk n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wrk n GLY 30 N -1.08 -0.22 3.74 0.44 0.00 -0.79 -4.96 105.19 102.32 2wrk n GLY 30 Ca 0.35 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 2wrk n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wrk s LYS 31 N -0.98 4.13 -0.08 1.61 2.20 -1.26 -4.96 119.74 120.40 2wrk s LYS 31 Ca 0.00 2.57 0.04 0.00 -0.36 0.00 0.00 55.97 58.23 2wrk s LYS 31 Cb 0.00 -3.04 -0.01 0.00 -1.51 0.00 0.00 37.83 33.27 2wrk s LYS 31 CO 0.00 -0.65 -0.22 1.52 -0.36 0.00 0.00 175.35 175.65 2wrk s TYR 32 N 0.20 2.55 0.63 4.03 -0.00 -1.26 -4.86 117.35 118.64 2wrk s TYR 32 Ca 0.65 -0.70 0.29 0.00 -0.00 0.00 0.00 57.07 57.31 2wrk s TYR 32 Cb -0.48 -1.66 1.55 0.00 -0.00 0.00 0.00 41.96 41.38 2wrk s TYR 32 CO 0.45 -0.20 1.91 0.82 -0.00 0.00 0.00 175.55 178.53 2wrk h ILE 33 N 5.14 0.18 0.00 -3.49 1.08 -1.80 -3.44 117.51 115.19 2wrk h ILE 33 Ca -0.30 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 2wrk h ILE 33 Cb 1.19 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.59 2wrk h ILE 33 CO 0.49 0.00 0.00 1.21 -0.69 0.00 0.00 178.15 179.16 2wrk n GLU 34 N -3.28 0.00 -2.70 2.37 2.13 -0.91 -4.95 120.64 113.30 2wrk n GLU 34 Ca 0.02 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.45 2wrk n GLU 34 Cb 0.50 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.15 2wrk n GLU 34 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2wrk s LYS 35 N 0.00 4.78 0.00 5.31 2.20 -1.26 -0.90 119.74 129.87 2wrk s LYS 35 Ca 0.00 1.53 0.01 0.00 -0.36 0.00 0.00 55.97 57.15 2wrk s LYS 35 Cb 0.00 -3.20 0.02 0.00 -1.51 0.00 0.00 37.83 33.14 2wrk s LYS 35 CO 0.00 0.43 0.90 0.44 -0.36 0.00 0.00 175.35 176.76 2wrk n ILE 36 N 1.31 0.00 0.00 5.43 -5.35 0.83 -4.93 119.36 116.65 2wrk n ILE 36 Ca -0.01 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 2wrk n ILE 36 Cb 0.47 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.78 2wrk n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wrk n GLY 37 N 0.03 2.97 3.30 3.28 0.00 -0.95 -1.89 105.19 111.93 2wrk n GLY 37 Ca -0.00 -0.89 -0.16 0.00 0.00 0.00 0.00 46.02 44.96 2wrk n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wrk s TYR 38 N -2.00 1.48 -0.16 1.61 -0.85 -1.10 0.27 117.35 116.60 2wrk s TYR 38 Ca 0.00 -0.79 -0.08 0.00 -0.52 0.00 0.00 57.07 55.68 2wrk s TYR 38 Cb 0.00 -0.79 0.06 0.00 0.38 0.00 0.00 41.96 41.61 2wrk s TYR 38 CO 0.00 0.09 0.38 -0.47 -1.52 0.00 0.00 175.55 174.03 2wrk s TYR 39 N -3.29 -0.59 -0.58 -3.49 5.04 0.06 -2.79 117.35 111.72 2wrk s TYR 39 Ca 0.23 1.24 -0.09 0.00 -2.44 0.00 0.00 57.07 56.00 2wrk s TYR 39 Cb 0.03 0.22 0.15 0.00 0.35 0.00 0.00 41.96 42.71 2wrk s TYR 39 CO 0.05 -0.36 0.46 0.34 -1.34 0.00 0.00 175.55 174.71 2wrk s ASP 40 N 1.69 5.86 0.58 4.32 3.68 0.20 -2.04 116.67 130.96 2wrk s ASP 40 Ca -0.07 -2.25 0.29 0.00 2.13 0.00 0.00 52.55 52.65 2wrk s ASP 40 Cb -0.10 -2.03 1.45 0.00 -1.45 0.00 0.00 42.92 40.79 2wrk s ASP 40 CO -0.12 -0.62 1.86 1.55 0.13 0.00 0.00 175.17 177.97 2wrk h PRO 41 N 8.07 0.00 -0.40 4.34 0.13 -1.82 0.08 132.00 142.40 2wrk h PRO 41 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2wrk h PRO 41 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2wrk h PRO 41 CO 0.82 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.13 2wrk n ARG 42 N -3.80 2.30 -4.04 0.86 1.74 -1.26 -4.96 116.66 107.50 2wrk n ARG 42 Ca 0.11 -1.98 -0.31 0.00 -0.77 0.00 0.00 57.85 54.91 2wrk n ARG 42 Cb 0.78 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.70 2wrk n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wrk n LYS 43 N 1.16 -0.75 -1.00 5.56 4.01 0.01 -4.78 118.16 122.38 2wrk n LYS 43 Ca 0.19 0.04 -0.21 0.00 -0.51 0.00 0.00 58.31 57.81 2wrk n LYS 43 Cb 0.52 -2.68 0.06 0.00 -0.51 0.00 0.00 35.03 32.42 2wrk n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2wrk n THR 44 N -4.17 2.97 0.00 -0.18 -2.24 -1.26 -4.81 114.28 104.58 2wrk n THR 44 Ca -0.22 -1.95 0.00 0.00 -2.27 0.00 0.00 64.05 59.61 2wrk n THR 44 Cb 0.55 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 2wrk n THR 44 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2wrk n THR 45 N -0.08 0.00 -0.38 4.28 5.66 -1.26 -5.03 114.28 117.47 2wrk n THR 45 Ca 0.40 0.00 0.34 0.00 -3.05 0.00 0.00 64.05 61.73 2wrk n THR 45 Cb 0.67 0.00 0.61 0.00 -1.55 0.00 0.00 70.33 70.06 2wrk n THR 45 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2wrk h PRO 46 N 0.00 0.06 -3.19 1.09 0.13 -2.03 -2.80 132.00 125.27 2wrk h PRO 46 Ca 0.00 -0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 64.34 2wrk h PRO 46 Cb 0.00 -0.01 -0.29 0.00 0.13 0.00 0.00 31.00 30.82 2wrk h PRO 46 CO 0.00 0.04 0.51 -0.25 -0.23 0.00 0.00 178.00 178.07 2wrk n ASP 47 N -5.01 5.75 -0.35 1.44 8.00 -1.26 -4.77 116.55 120.35 2wrk n ASP 47 Ca 0.38 -3.24 0.11 0.00 0.71 0.00 0.00 54.79 52.75 2wrk n ASP 47 Cb 1.34 -1.27 0.47 0.00 -0.02 0.00 0.00 41.12 41.64 2wrk n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2wrk n TRP 48 N 1.94 0.11 -3.28 1.24 4.27 -1.06 -4.79 117.44 115.88 2wrk n TRP 48 Ca 0.25 -0.06 0.03 0.00 -3.89 0.00 0.00 57.50 53.83 2wrk n TRP 48 Cb 0.36 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.28 2wrk n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2wrk s LEU 49 N -1.64 -0.40 0.17 5.67 2.96 -1.26 0.61 118.68 124.80 2wrk s LEU 49 Ca 0.32 0.48 0.06 0.00 -0.22 0.00 0.00 54.13 54.77 2wrk s LEU 49 Cb 0.17 1.43 -0.05 0.00 0.50 0.00 0.00 46.19 48.24 2wrk s LEU 49 CO 0.26 -0.08 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.35 2wrk s LYS 50 N 2.43 1.18 -0.25 1.98 2.20 -1.12 -5.03 119.74 121.13 2wrk s LYS 50 Ca -0.01 -1.52 -0.26 0.00 -0.36 0.00 0.00 55.97 53.82 2wrk s LYS 50 Cb -0.05 -0.81 0.07 0.00 -1.51 0.00 0.00 37.83 35.54 2wrk s LYS 50 CO -0.16 0.10 0.74 0.08 -0.36 0.00 0.00 175.35 175.76 2wrk s VAL 51 N -3.20 0.00 -0.83 4.02 1.01 -1.26 -2.72 120.40 117.42 2wrk s VAL 51 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.98 2wrk s VAL 51 Cb 0.02 -1.00 0.11 0.00 0.00 0.00 0.00 36.38 35.51 2wrk s VAL 51 CO 0.03 0.00 1.06 -0.62 0.00 0.00 0.00 175.10 175.58 2wrk s ASP 52 N 0.23 6.47 0.13 3.32 3.68 -0.79 -4.91 116.67 124.80 2wrk s ASP 52 Ca -0.01 -1.68 -0.31 0.00 2.13 0.00 0.00 52.55 52.68 2wrk s ASP 52 Cb -0.05 -2.40 -0.08 0.00 -1.45 0.00 0.00 42.92 38.94 2wrk s ASP 52 CO 0.01 -1.19 1.56 -0.37 0.13 0.00 0.00 175.17 175.31 2wrk h VAL 53 N 5.91 0.04 0.00 1.11 -1.51 -1.98 -2.57 116.25 117.25 2wrk h VAL 53 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2wrk h VAL 53 Cb 1.04 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.24 2wrk h VAL 53 CO 1.14 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 176.86 2wrk n GLU 54 N -5.40 0.00 0.43 5.19 -0.58 -1.26 -1.91 120.64 117.11 2wrk n GLU 54 Ca -0.03 0.45 -0.20 0.00 -0.42 0.00 0.00 57.16 56.97 2wrk n GLU 54 Cb 0.36 -0.74 -0.10 0.00 -0.57 0.00 0.00 31.44 30.39 2wrk n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wrk h ARG 55 N 0.00 -1.14 -1.01 3.49 2.47 -1.97 -2.89 114.38 113.33 2wrk h ARG 55 Ca 0.00 0.08 0.38 0.00 -1.26 0.00 0.00 59.98 59.18 2wrk h ARG 55 Cb 0.00 0.26 -0.14 0.00 -1.65 0.00 0.00 29.97 28.44 2wrk h ARG 55 CO 0.00 -0.76 0.60 0.00 0.56 0.00 0.00 179.97 180.37 2wrk n ALA 56 N -2.70 1.02 0.11 0.04 0.00 -0.97 0.13 120.51 118.13 2wrk n ALA 56 Ca -0.15 0.82 -0.12 0.00 0.00 0.00 0.00 53.44 53.99 2wrk n ALA 56 Cb 0.49 -0.89 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 2wrk n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrk h ARG 57 N 0.00 -0.31 -0.60 0.00 3.08 -1.18 -2.18 114.38 113.18 2wrk h ARG 57 Ca 0.74 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.88 2wrk h ARG 57 Cb 2.16 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 32.20 2wrk h ARG 57 CO -0.55 0.04 -0.50 -0.92 -1.07 0.00 0.00 179.97 176.98 2wrk h TYR 58 N -0.77 -1.56 -0.63 3.04 5.03 0.12 0.87 116.97 123.07 2wrk h TYR 58 Ca -0.03 0.09 0.13 0.00 2.58 0.00 0.00 58.73 61.49 2wrk h TYR 58 Cb 0.50 0.76 -0.12 0.00 1.55 0.00 0.00 36.73 39.42 2wrk h TYR 58 CO 0.05 -0.37 -0.17 -1.49 -1.32 0.00 0.00 178.16 174.85 2wrk h TRP 59 N -0.18 -0.37 -0.74 -3.82 -0.00 -1.23 0.62 115.95 110.23 2wrk h TRP 59 Ca 0.10 0.06 0.08 0.00 -0.00 0.00 0.00 58.89 59.13 2wrk h TRP 59 Cb 0.44 0.26 -0.05 0.00 -0.00 0.00 0.00 29.16 29.81 2wrk h TRP 59 CO -0.86 -0.28 0.48 -0.07 -0.00 0.00 0.00 178.44 177.71 2wrk h LEU 60 N -0.01 0.62 -1.64 -4.49 3.38 -0.28 -0.09 115.31 112.81 2wrk h LEU 60 Ca 0.30 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2wrk h LEU 60 Cb 0.47 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2wrk h LEU 60 CO -0.66 0.39 0.00 -1.54 0.09 0.00 0.00 178.44 176.72 2wrk n SER 61 N -4.49 1.84 -0.43 -0.43 3.41 0.22 -2.68 113.62 111.05 2wrk n SER 61 Ca 0.12 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.11 2wrk n SER 61 Cb 0.29 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2wrk n SER 61 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2wrk n VAL 62 N 0.41 0.00 0.00 -3.33 0.24 -0.08 -5.00 118.33 110.57 2wrk n VAL 62 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wrk n VAL 62 Cb 0.33 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 2wrk n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wrk n GLY 63 N 0.00 1.07 3.73 7.63 0.00 -1.09 -5.04 105.19 111.49 2wrk n GLY 63 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wrk n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrk s ALA 64 N -2.00 3.42 -0.58 4.61 0.00 -1.00 -4.48 121.76 121.74 2wrk s ALA 64 Ca 0.00 0.91 0.02 0.00 0.00 0.00 0.00 51.96 52.89 2wrk s ALA 64 Cb 0.00 -3.43 0.15 0.00 0.00 0.00 0.00 23.12 19.84 2wrk s ALA 64 CO 0.00 -0.39 0.35 -0.65 0.00 0.00 0.00 175.76 175.07 2wrk s GLN 65 N 0.34 2.23 0.48 0.00 -1.52 -0.74 -4.73 119.66 115.71 2wrk s GLN 65 Ca 0.55 -2.69 -0.24 0.00 -1.95 0.00 0.00 55.36 51.04 2wrk s GLN 65 Cb -0.31 -3.46 -0.07 0.00 -0.22 0.00 0.00 33.01 28.95 2wrk s GLN 65 CO 0.33 -1.15 1.36 -1.25 -0.25 0.00 0.00 175.29 174.34 2wrk s PRO 66 N -0.38 3.51 1.02 2.91 0.04 -1.26 -2.89 135.00 137.95 2wrk s PRO 66 Ca 0.18 2.26 -0.12 0.00 0.04 0.00 0.00 61.00 63.36 2wrk s PRO 66 Cb -0.22 -2.49 0.20 0.00 0.04 0.00 0.00 34.50 32.03 2wrk s PRO 66 CO -0.03 -0.90 1.08 0.99 0.04 0.00 0.00 177.00 178.18 2wrk s THR 67 N -1.28 2.20 0.05 1.26 2.01 -1.08 -4.65 115.64 114.15 2wrk s THR 67 Ca 0.65 0.07 -0.36 0.00 0.31 0.00 0.00 61.69 62.36 2wrk s THR 67 Cb -0.40 -2.41 -0.20 0.00 0.01 0.00 0.00 72.50 69.50 2wrk s THR 67 CO 0.50 -0.09 1.48 0.44 -0.69 0.00 0.00 174.62 176.27 2wrk h ASP 68 N -2.02 -1.09 0.31 3.53 3.32 -1.94 0.18 116.42 118.71 2wrk h ASP 68 Ca -0.55 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2wrk h ASP 68 Cb 1.32 0.28 0.00 0.00 0.22 0.00 0.00 39.33 41.15 2wrk h ASP 68 CO 0.54 -0.75 0.00 1.07 -1.72 0.00 0.00 179.24 178.38 2wrk n THR 69 N -5.59 1.01 -0.06 0.35 5.66 -1.26 -2.04 114.28 112.35 2wrk n THR 69 Ca -0.16 0.25 -0.06 0.00 -3.05 0.00 0.00 64.05 61.04 2wrk n THR 69 Cb 0.51 -1.06 -0.04 0.00 -1.55 0.00 0.00 70.33 68.18 2wrk n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wrk h ALA 70 N 2.45 0.02 -0.27 1.79 0.00 -1.70 -3.31 119.26 118.24 2wrk h ALA 70 Ca 0.00 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.68 2wrk h ALA 70 Cb 0.15 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 2wrk h ALA 70 CO 0.00 0.13 -0.33 -0.09 0.00 0.00 0.00 179.25 178.96 2wrk h ARG 71 N -1.00 -0.32 -0.82 0.00 2.43 -0.33 -0.16 114.38 114.18 2wrk h ARG 71 Ca -0.03 0.02 0.24 0.00 -0.81 0.00 0.00 59.98 59.40 2wrk h ARG 71 Cb 0.42 0.07 -0.15 0.00 -0.42 0.00 0.00 29.97 29.89 2wrk h ARG 71 CO -0.02 -0.21 0.06 -2.13 -1.51 0.00 0.00 179.97 176.16 2wrk n ARG 72 N -5.41 -0.06 0.11 0.20 0.63 -0.87 0.12 116.66 111.38 2wrk n ARG 72 Ca -0.01 1.22 -0.21 0.00 -0.92 0.00 0.00 57.85 57.92 2wrk n ARG 72 Cb 0.33 -1.96 -0.13 0.00 0.45 0.00 0.00 32.46 31.15 2wrk n ARG 72 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2wrk h LEU 73 N 0.00 0.75 -0.45 6.15 3.38 -1.30 -2.70 115.31 121.14 2wrk h LEU 73 Ca 0.52 -0.74 0.03 0.00 0.09 0.00 0.00 57.88 57.78 2wrk h LEU 73 Cb 1.11 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 2wrk h LEU 73 CO -0.75 1.56 0.23 -0.07 0.09 0.00 0.00 178.44 179.50 2wrk h LEU 74 N 0.19 0.34 0.89 1.67 3.38 0.26 -2.49 115.31 119.55 2wrk h LEU 74 Ca -0.19 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2wrk h LEU 74 Cb 1.98 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 42.70 2wrk h LEU 74 CO 0.24 0.24 -0.43 -0.09 0.09 0.00 0.00 178.44 178.49 2wrk h ARG 75 N 0.46 -1.16 0.00 1.13 2.43 -0.08 -2.40 114.38 114.77 2wrk h ARG 75 Ca 0.19 0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2wrk h ARG 75 Cb 0.09 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2wrk h ARG 75 CO -0.13 -0.77 0.69 0.37 -1.51 0.00 0.00 179.97 178.62 2wrk h GLN 76 N -1.25 0.00 0.17 0.20 4.15 -1.24 2.52 115.11 119.66 2wrk h GLN 76 Ca -0.12 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.02 2wrk h GLN 76 Cb 0.92 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.63 2wrk h GLN 76 CO 0.20 0.00 -1.30 0.00 -1.93 0.00 0.00 178.83 175.81 2wrk h ALA 77 N 0.31 0.01 0.00 3.38 0.00 -0.98 -3.48 119.26 118.50 2wrk h ALA 77 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.99 2wrk h ALA 77 Cb 1.38 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2wrk h ALA 77 CO 0.00 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.35 2wrk n GLY 78 N 1.73 1.37 0.30 0.00 0.00 0.85 -5.04 105.19 104.39 2wrk n GLY 78 Ca -0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 2wrk n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wrk h VAL 79 N 0.00 1.23 0.03 1.61 2.07 -1.52 -3.29 116.25 116.38 2wrk h VAL 79 Ca 0.00 -0.87 -0.31 0.00 0.82 0.00 0.00 66.70 66.34 2wrk h VAL 79 Cb 0.00 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 2wrk h VAL 79 CO 0.00 0.32 -1.81 0.49 0.02 0.00 0.00 177.57 176.58 2wrk n PHE 80 N -4.26 1.00 -1.54 1.57 3.01 -1.26 -4.92 117.46 111.06 2wrk n PHE 80 Ca 0.03 0.32 -0.52 0.00 1.01 0.00 0.00 57.45 58.29 2wrk n PHE 80 Cb 0.25 -1.17 -0.05 0.00 -0.01 0.00 0.00 39.48 38.50 2wrk n PHE 80 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2wrk n ARG 81 N -3.13 0.70 -0.22 -1.08 0.63 -1.24 -4.88 116.66 107.44 2wrk n ARG 81 Ca -0.21 0.25 0.06 0.00 -0.92 0.00 0.00 57.85 57.03 2wrk n ARG 81 Cb 1.06 -1.71 0.17 0.00 0.45 0.00 0.00 32.46 32.43 2wrk n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wrk n GLN 82 N 1.73 2.89 0.00 -0.14 0.00 -1.26 -4.98 117.38 115.62 2wrk n GLN 82 Ca 0.17 -2.16 0.00 0.00 0.00 0.00 0.00 57.00 55.01 2wrk n GLN 82 Cb 0.19 -1.35 0.00 0.00 0.00 0.00 0.00 30.24 29.09 2wrk n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2wrk n GLU 83 N 0.45 0.00 0.00 2.61 -0.58 -1.26 -5.29 120.64 116.57 2wrk n GLU 83 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2wrk n GLU 83 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.36 2wrk n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65