#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrk s ALA 20 N 0.00 -0.10 -0.27 3.14 0.00 -1.26 -5.12 121.76 118.15 2wrk s ALA 20 Ca 0.00 -0.66 -0.43 0.00 0.00 0.00 0.00 51.96 50.87 2wrk s ALA 20 Cb 0.00 -1.70 -0.19 0.00 0.00 0.00 0.00 23.12 21.23 2wrk s ALA 20 CO 0.00 -1.75 1.45 1.63 0.00 0.00 0.00 175.76 177.09 2wrk n LYS 21 N 5.14 0.27 -0.26 0.00 4.76 -1.26 -4.86 118.16 121.95 2wrk n LYS 21 Ca -0.01 0.10 -0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2wrk n LYS 21 Cb 0.45 -1.64 0.12 0.00 -1.84 0.00 0.00 35.03 32.12 2wrk n LYS 21 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2wrk h VAL 22 N 4.32 0.96 0.00 -0.18 2.07 -1.64 0.12 116.25 121.91 2wrk h VAL 22 Ca -0.47 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2wrk h VAL 22 Cb 1.38 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2wrk h VAL 22 CO 0.87 0.14 0.04 1.17 0.02 0.00 0.00 177.57 179.80 2wrk n LYS 23 N -4.75 0.13 -0.17 1.57 4.81 -0.66 -0.19 118.16 118.89 2wrk n LYS 23 Ca 0.10 0.62 0.12 0.00 -0.87 0.00 0.00 58.31 58.28 2wrk n LYS 23 Cb 0.20 -1.96 0.24 0.00 0.02 0.00 0.00 35.03 33.53 2wrk n LYS 23 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wrk n ALA 24 N -1.73 2.44 0.62 3.14 0.00 0.43 -4.18 120.51 121.21 2wrk n ALA 24 Ca -0.01 -0.91 0.07 0.00 0.00 0.00 0.00 53.44 52.58 2wrk n ALA 24 Cb 0.07 -0.91 0.02 0.00 0.00 0.00 0.00 19.45 18.63 2wrk n ALA 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wrk n THR 25 N 1.30 0.00 -4.38 0.00 -1.04 0.73 -5.01 114.28 105.88 2wrk n THR 25 Ca 0.19 -0.40 -0.19 0.00 -2.04 0.00 0.00 64.05 61.61 2wrk n THR 25 Cb 0.56 1.21 -0.10 0.00 -1.82 0.00 0.00 70.33 70.18 2wrk n THR 25 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wrk s LEU 26 N -1.68 2.28 0.00 -4.42 1.43 -1.25 -5.14 118.68 109.91 2wrk s LEU 26 Ca 0.13 -1.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 2wrk s LEU 26 Cb 0.12 -0.40 0.00 0.00 0.03 0.00 0.00 46.19 45.94 2wrk s LEU 26 CO 0.30 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 177.01 2wrk n GLY 27 N -0.51 1.01 3.64 -3.19 0.00 -1.26 -4.98 105.19 99.89 2wrk n GLY 27 Ca -0.05 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 2wrk n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wrk s GLU 28 N 1.70 4.15 -0.05 1.61 2.02 -1.26 -5.04 118.70 121.83 2wrk s GLU 28 Ca 0.00 0.64 0.03 0.00 0.02 0.00 0.00 54.97 55.66 2wrk s GLU 28 Cb 0.00 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.60 2wrk s GLU 28 CO 0.00 -0.39 -0.14 -0.59 0.02 0.00 0.00 175.26 174.16 2wrk s PHE 29 N 2.42 1.48 -0.91 1.61 -0.00 -1.26 -5.07 117.98 116.25 2wrk s PHE 29 Ca 0.29 -0.47 -0.24 0.00 -0.00 0.00 0.00 56.93 56.50 2wrk s PHE 29 Cb -0.16 -1.04 0.05 0.00 -0.00 0.00 0.00 43.02 41.88 2wrk s PHE 29 CO 0.09 -0.20 1.35 0.34 -0.00 0.00 0.00 175.22 176.79 2wrk s ASP 30 N 0.33 6.39 0.00 1.98 2.15 -1.26 -4.84 116.67 121.43 2wrk s ASP 30 Ca -0.08 -1.17 -0.00 0.00 0.43 0.00 0.00 52.55 51.72 2wrk s ASP 30 Cb -0.13 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 39.94 2wrk s ASP 30 CO 0.03 -1.57 1.41 0.00 -0.17 0.00 0.00 175.17 174.86 2wrk n LEU 31 N 8.79 3.63 0.00 -1.34 -0.00 -1.26 -0.54 117.00 126.28 2wrk n LEU 31 Ca 0.21 -1.66 0.00 0.00 -0.00 0.00 0.00 56.01 54.56 2wrk n LEU 31 Cb 0.50 -0.77 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 2wrk n LEU 31 CO 0.66 0.70 -0.08 -1.14 -0.00 0.00 0.00 177.39 177.53 2wrk n ARG 32 N 1.70 3.23 -2.64 1.47 3.00 -1.26 -4.11 116.66 118.05 2wrk n ARG 32 Ca 0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.45 2wrk n ARG 32 Cb 0.35 -0.40 -0.03 0.00 0.00 0.00 0.00 32.46 32.37 2wrk n ARG 32 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2wrk s ASP 33 N -0.62 6.20 0.00 6.15 3.68 0.30 -4.87 116.67 127.51 2wrk s ASP 33 Ca 0.00 -0.71 0.00 0.00 2.13 0.00 0.00 52.55 53.97 2wrk s ASP 33 Cb 0.00 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.95 2wrk s ASP 33 CO 0.00 -1.69 0.74 0.00 0.13 0.00 0.00 175.17 174.34 2wrk n TYR 34 N 8.84 0.00 0.00 -5.34 0.18 -1.26 -3.85 117.16 115.73 2wrk n TYR 34 Ca 0.04 -0.31 0.00 0.00 1.88 0.00 0.00 57.90 59.51 2wrk n TYR 34 Cb 0.48 -0.19 0.00 0.00 -0.38 0.00 0.00 39.34 39.25 2wrk n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2wrk n ARG 35 N 0.43 2.28 -1.25 -3.48 1.74 -1.26 -4.04 116.66 111.09 2wrk n ARG 35 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 2wrk n ARG 35 Cb 0.37 -0.77 -0.02 0.00 -1.02 0.00 0.00 32.46 31.01 2wrk n ARG 35 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2wrk n ASN 36 N -1.22 7.23 0.00 0.55 0.23 -1.25 -4.82 115.26 115.98 2wrk n ASN 36 Ca 0.00 -2.56 0.00 0.00 -0.53 0.00 0.00 54.58 51.49 2wrk n ASN 36 Cb 0.22 -1.47 0.00 0.00 -2.08 0.00 0.00 39.78 36.45 2wrk n ASN 36 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 2wrk n VAL 37 N 3.97 0.00 0.00 3.53 0.24 -1.26 -1.17 118.33 123.64 2wrk n VAL 37 Ca 0.68 0.29 0.00 0.00 -2.04 0.00 0.00 64.34 63.27 2wrk n VAL 37 Cb 0.24 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.21 2wrk n VAL 37 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wrk n GLU 38 N -1.72 0.00 0.02 7.34 -0.58 -1.26 0.30 120.64 124.75 2wrk n GLU 38 Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wrk n GLU 38 Cb 0.00 -0.89 -0.00 0.00 -0.57 0.00 0.00 31.44 29.98 2wrk n GLU 38 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2wrk n VAL 39 N -0.01 0.75 0.01 2.62 0.31 -0.31 -4.61 118.33 117.08 2wrk n VAL 39 Ca 0.00 0.25 -0.10 0.00 -0.01 0.00 0.00 64.34 64.47 2wrk n VAL 39 Cb 0.00 -1.40 -0.04 0.00 -0.91 0.00 0.00 33.84 31.50 2wrk n VAL 39 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wrk h LEU 40 N -0.04 -0.91 0.00 7.52 3.38 0.14 0.48 115.31 125.88 2wrk h LEU 40 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2wrk h LEU 40 Cb 0.04 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2wrk h LEU 40 CO 0.00 -0.34 0.86 1.17 0.09 0.00 0.00 178.44 180.22 2wrk n LYS 41 N -5.40 0.02 -0.16 1.13 3.00 0.89 0.67 118.16 118.31 2wrk n LYS 41 Ca -0.03 0.68 0.07 0.00 -0.00 0.00 0.00 58.31 59.03 2wrk n LYS 41 Cb 0.31 -2.40 0.21 0.00 0.00 0.00 0.00 35.03 33.15 2wrk n LYS 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2wrk n ARG 42 N -2.08 1.79 0.00 1.64 0.63 0.17 -3.75 116.66 115.07 2wrk n ARG 42 Ca 0.00 -1.23 0.00 0.00 -0.92 0.00 0.00 57.85 55.70 2wrk n ARG 42 Cb 0.86 -1.30 0.00 0.00 0.45 0.00 0.00 32.46 32.47 2wrk n ARG 42 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2wrk n PHE 43 N 0.48 0.00 -2.28 -0.14 3.01 0.21 -4.87 117.46 113.88 2wrk n PHE 43 Ca 0.13 -0.09 -0.41 0.00 1.01 0.00 0.00 57.45 58.10 2wrk n PHE 43 Cb 0.30 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 2wrk n PHE 43 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2wrk n LEU 44 N -0.09 7.66 0.00 4.37 4.32 -1.25 -1.14 117.00 130.88 2wrk n LEU 44 Ca 0.00 -5.06 0.00 0.00 -0.02 0.00 0.00 56.01 50.93 2wrk n LEU 44 Cb 0.05 -1.30 0.00 0.00 -1.62 0.00 0.00 43.42 40.55 2wrk n LEU 44 CO 0.00 2.00 0.00 -1.54 -1.22 0.00 0.00 177.39 176.63 2wrk n SER 45 N 1.25 0.00 0.00 -1.43 3.41 -0.78 -3.51 113.62 112.57 2wrk n SER 45 Ca 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 2wrk n SER 45 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 2wrk n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wrk n GLU 46 N 0.00 0.00 0.27 4.33 -0.58 -1.26 -4.61 120.64 118.79 2wrk n GLU 46 Ca 0.00 0.00 0.18 0.00 -0.42 0.00 0.00 57.16 56.92 2wrk n GLU 46 Cb 0.00 -0.52 0.90 0.00 -0.57 0.00 0.00 31.44 31.25 2wrk n GLU 46 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2wrk h THR 47 N 0.00 0.00 0.00 2.62 2.02 -1.79 -3.43 112.91 112.33 2wrk h THR 47 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2wrk h THR 47 Cb 0.80 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 2wrk h THR 47 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2wrk n GLY 48 N -0.75 1.01 3.72 2.16 0.00 -1.23 0.15 105.19 110.25 2wrk n GLY 48 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2wrk n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrk s LYS 49 N -0.22 2.16 -0.29 1.61 1.02 -1.26 -4.68 119.74 118.08 2wrk s LYS 49 Ca 0.00 1.86 -0.29 0.00 0.02 0.00 0.00 55.97 57.56 2wrk s LYS 49 Cb 0.00 -1.82 0.01 0.00 -0.52 0.00 0.00 37.83 35.50 2wrk s LYS 49 CO 0.00 -1.84 1.11 0.42 -0.92 0.00 0.00 175.35 174.11 2wrk s ILE 50 N -1.82 4.48 0.73 2.17 -1.09 -1.26 -1.86 121.20 122.55 2wrk s ILE 50 Ca 0.77 1.72 -0.15 0.00 -2.23 0.00 0.00 60.65 60.76 2wrk s ILE 50 Cb -0.32 -4.35 0.04 0.00 -1.58 0.00 0.00 42.46 36.26 2wrk s ILE 50 CO 0.44 -0.41 1.23 -0.76 -1.23 0.00 0.00 174.94 174.21 2wrk s LEU 51 N 3.65 3.33 0.59 2.97 1.43 -0.29 -4.92 118.68 125.44 2wrk s LEU 51 Ca 0.47 2.42 -0.14 0.00 -1.03 0.00 0.00 54.13 55.85 2wrk s LEU 51 Cb -0.14 -4.60 -0.05 0.00 0.03 0.00 0.00 46.19 41.44 2wrk s LEU 51 CO 0.15 -2.32 1.02 -2.84 0.23 0.00 0.00 176.35 172.59 2wrk s PRO 52 N -3.85 3.59 0.51 1.29 0.02 -1.26 -4.71 135.00 130.60 2wrk s PRO 52 Ca 0.76 0.92 0.21 0.00 0.02 0.00 0.00 61.00 62.92 2wrk s PRO 52 Cb -0.31 -2.08 1.30 0.00 0.02 0.00 0.00 34.50 33.43 2wrk s PRO 52 CO 0.45 -0.57 2.02 0.00 -0.33 0.00 0.00 177.00 178.58 2wrk h ARG 53 N 0.20 0.08 0.00 5.54 3.08 -1.94 0.62 114.38 121.95 2wrk h ARG 53 Ca -0.45 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2wrk h ARG 53 Cb 1.20 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2wrk h ARG 53 CO 0.60 0.05 0.15 0.54 -1.07 0.00 0.00 179.97 180.25 2wrk n ARG 54 N -4.43 0.02 0.08 0.04 1.74 -1.26 -1.05 116.66 111.79 2wrk n ARG 54 Ca 0.07 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 2wrk n ARG 54 Cb 0.46 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2wrk n ARG 54 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wrk n ARG 55 N -1.48 0.00 -0.01 5.56 5.12 0.19 -4.78 116.66 121.26 2wrk n ARG 55 Ca -0.00 0.00 0.23 0.00 -1.93 0.00 0.00 57.85 56.15 2wrk n ARG 55 Cb 0.16 -0.35 0.69 0.00 -1.16 0.00 0.00 32.46 31.80 2wrk n ARG 55 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 2wrk h THR 56 N 0.00 0.32 0.00 0.55 1.35 -0.81 -2.81 112.91 111.51 2wrk h THR 56 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2wrk h THR 56 Cb 0.00 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 66.93 2wrk h THR 56 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2wrk n GLY 57 N -1.56 0.93 3.53 5.82 0.00 -0.22 -1.65 105.19 112.04 2wrk n GLY 57 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2wrk n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wrk s LEU 58 N 0.00 0.55 0.00 0.99 1.02 -1.26 -4.87 118.68 115.11 2wrk s LEU 58 Ca 0.00 1.00 0.00 0.00 0.02 0.00 0.00 54.13 55.15 2wrk s LEU 58 Cb 0.00 -2.82 0.00 0.00 0.02 0.00 0.00 46.19 43.39 2wrk s LEU 58 CO 0.00 -4.17 0.00 -1.54 0.02 0.00 0.00 176.35 170.66 2wrk n SER 59 N -4.84 0.00 0.00 2.29 3.41 -1.26 -4.79 113.62 108.43 2wrk n SER 59 Ca 0.08 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2wrk n SER 59 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2wrk n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wrk n ALA 60 N -3.00 -0.11 -0.21 7.33 0.00 -1.26 -1.33 120.51 121.93 2wrk n ALA 60 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2wrk n ALA 60 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 2wrk n ALA 60 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wrk h LYS 61 N 0.00 0.18 -0.54 0.00 3.64 -2.00 -1.32 116.57 116.53 2wrk h LYS 61 Ca 0.00 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.47 2wrk h LYS 61 Cb 0.00 -0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 31.67 2wrk h LYS 61 CO 0.00 0.12 -0.29 0.93 -2.27 0.00 0.00 179.45 177.94 2wrk h GLU 62 N 0.18 -0.14 0.02 1.90 5.08 -1.93 -1.61 114.58 118.08 2wrk h GLU 62 Ca 0.34 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.73 2wrk h GLU 62 Cb 0.56 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2wrk h GLU 62 CO -0.50 -0.10 -0.15 0.37 -1.00 0.00 0.00 179.01 177.63 2wrk h GLN 63 N -0.15 -0.26 -0.35 2.33 5.75 -0.04 -2.69 115.11 119.71 2wrk h GLN 63 Ca 0.23 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.81 2wrk h GLN 63 Cb 0.53 0.06 -0.08 0.00 1.07 0.00 0.00 27.48 29.05 2wrk h GLN 63 CO -0.63 -0.17 -0.46 0.00 -2.65 0.00 0.00 178.83 174.92 2wrk h ARG 64 N -0.27 -0.37 0.00 1.69 3.08 -0.96 0.37 114.38 117.93 2wrk h ARG 64 Ca 0.04 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2wrk h ARG 64 Cb 0.32 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 2wrk h ARG 64 CO -0.13 -0.25 -0.07 -0.84 -1.07 0.00 0.00 179.97 177.61 2wrk h ILE 65 N -0.39 0.75 0.20 2.04 3.07 -1.36 -1.83 117.51 119.99 2wrk h ILE 65 Ca 0.11 -0.27 -0.01 0.00 1.55 0.00 0.00 64.86 66.23 2wrk h ILE 65 Cb 0.60 1.16 0.00 0.00 -0.27 0.00 0.00 36.82 38.32 2wrk h ILE 65 CO -0.54 0.07 -0.10 0.25 -1.05 0.00 0.00 178.15 176.78 2wrk h LEU 66 N 0.00 -0.22 -0.99 0.16 5.85 -0.91 -3.11 115.31 116.09 2wrk h LEU 66 Ca -0.00 -0.26 0.29 0.00 0.84 0.00 0.00 57.88 58.75 2wrk h LEU 66 Cb 0.16 0.06 -0.18 0.00 0.37 0.00 0.00 40.66 41.06 2wrk h LEU 66 CO 0.01 0.31 0.08 0.00 -0.34 0.00 0.00 178.44 178.50 2wrk n ALA 67 N -2.63 0.56 -0.20 1.25 0.00 0.12 -1.11 120.51 118.50 2wrk n ALA 67 Ca -0.07 1.06 0.00 0.00 0.00 0.00 0.00 53.44 54.43 2wrk n ALA 67 Cb 0.23 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2wrk n ALA 67 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wrk n LYS 68 N -5.46 0.00 -0.40 0.00 4.01 -0.77 -3.02 118.16 112.52 2wrk n LYS 68 Ca 0.25 0.40 -0.08 0.00 -0.51 0.00 0.00 58.31 58.37 2wrk n LYS 68 Cb 0.82 -1.36 -0.06 0.00 -0.51 0.00 0.00 35.03 33.92 2wrk n LYS 68 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2wrk n THR 69 N -1.70 -0.61 -0.36 -0.18 -2.24 -0.68 0.53 114.28 109.04 2wrk n THR 69 Ca 0.00 2.31 0.37 0.00 -2.27 0.00 0.00 64.05 64.47 2wrk n THR 69 Cb 0.00 -2.92 0.75 0.00 -2.10 0.00 0.00 70.33 66.06 2wrk n THR 69 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2wrk h ILE 70 N 0.00 0.31 0.06 2.28 2.04 -1.19 2.08 117.51 123.08 2wrk h ILE 70 Ca 0.21 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.81 2wrk h ILE 70 Cb 0.45 0.33 0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2wrk h ILE 70 CO -0.92 0.00 -1.09 0.11 0.00 0.00 0.00 178.15 176.25 2wrk h LYS 71 N 0.00 0.45 0.90 2.37 1.57 0.18 -2.75 116.57 119.29 2wrk h LYS 71 Ca 0.60 -0.56 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2wrk h LYS 71 Cb 2.50 0.18 0.00 0.00 0.08 0.00 0.00 32.23 34.99 2wrk h LYS 71 CO -0.01 1.21 -0.49 0.00 -0.57 0.00 0.00 179.45 179.59 2wrk h ARG 72 N 0.22 -1.24 -0.75 3.15 3.08 0.38 -0.84 114.38 118.37 2wrk h ARG 72 Ca -0.12 0.08 0.14 0.00 0.07 0.00 0.00 59.98 60.15 2wrk h ARG 72 Cb 1.75 0.28 -0.14 0.00 0.08 0.00 0.00 29.97 31.94 2wrk h ARG 72 CO 0.19 -0.83 -0.27 0.00 -1.07 0.00 0.00 179.97 178.00 2wrk h ALA 73 N -1.27 0.29 -0.63 0.04 0.00 -1.17 0.31 119.26 116.82 2wrk h ALA 73 Ca -0.12 0.26 0.11 0.00 0.00 0.00 0.00 54.91 55.16 2wrk h ALA 73 Cb 1.01 0.71 -0.12 0.00 0.00 0.00 0.00 17.79 19.39 2wrk h ALA 73 CO 0.16 -0.52 -0.32 0.00 0.00 0.00 0.00 179.25 178.57 2wrk h ARG 74 N -0.05 -0.13 -0.28 0.00 3.08 -1.13 0.42 114.38 116.29 2wrk h ARG 74 Ca 0.33 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.44 2wrk h ARG 74 Cb 0.57 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 2wrk h ARG 74 CO -0.79 -0.09 0.19 0.82 -1.07 0.00 0.00 179.97 179.04 2wrk h ILE 75 N -0.13 0.94 -0.01 2.04 2.04 0.10 0.51 117.51 122.99 2wrk h ILE 75 Ca 0.25 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.06 2wrk h ILE 75 Cb 0.55 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2wrk h ILE 75 CO -0.71 0.03 0.00 0.18 0.00 0.00 0.00 178.15 177.65 2wrk n LEU 76 N -4.48 0.05 0.00 1.44 7.99 0.13 -4.80 117.00 117.33 2wrk n LEU 76 Ca 0.03 -0.02 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 2wrk n LEU 76 Cb 0.25 -0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.56 2wrk n LEU 76 CO 0.35 0.01 0.00 0.61 -1.51 0.00 0.00 177.39 176.85 2wrk n GLY 77 N 0.66 0.26 0.01 -0.72 0.00 0.18 -4.78 105.19 100.80 2wrk n GLY 77 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.25 2wrk n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wrk n LEU 78 N 0.00 0.02 -3.66 0.99 4.77 -0.38 -4.82 117.00 113.92 2wrk n LEU 78 Ca 0.00 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.05 2wrk n LEU 78 Cb 0.21 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 2wrk n LEU 78 CO 0.00 0.00 0.17 -0.76 -1.33 0.00 0.00 177.39 175.47 2wrk s LEU 79 N -2.42 0.34 0.34 2.23 1.43 -1.21 -4.79 118.68 114.60 2wrk s LEU 79 Ca 0.34 0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 53.34 2wrk s LEU 79 Cb 0.21 1.77 -0.09 0.00 0.03 0.00 0.00 46.19 48.11 2wrk s LEU 79 CO 0.44 -0.64 0.80 -2.16 0.23 0.00 0.00 176.35 175.02 2wrk s PRO 80 N -2.22 4.12 -0.02 1.29 0.04 -1.26 -4.31 135.00 132.63 2wrk s PRO 80 Ca -0.07 0.84 0.13 0.00 0.04 0.00 0.00 61.00 61.94 2wrk s PRO 80 Cb -0.01 -2.44 -0.22 0.00 0.04 0.00 0.00 34.50 31.87 2wrk s PRO 80 CO -0.00 0.14 0.71 0.74 0.04 0.00 0.00 177.00 178.63 2wrk h PHE 81 N 2.35 0.00 -1.41 0.56 0.05 -1.91 -3.47 116.94 113.11 2wrk h PHE 81 Ca -0.48 0.00 0.18 0.00 3.82 0.00 0.00 57.97 61.49 2wrk h PHE 81 Cb 1.18 0.00 -0.23 0.00 2.00 0.00 0.00 35.95 38.90 2wrk h PHE 81 CO 0.62 0.94 0.75 -0.08 -0.18 0.00 0.00 178.31 180.36 2wrk s THR 82 N -2.65 0.00 -0.13 -1.55 -1.32 -1.26 -4.68 115.64 104.05 2wrk s THR 82 Ca -0.04 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.26 2wrk s THR 82 Cb 0.08 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.12 2wrk s THR 82 CO 0.82 0.00 0.46 -1.83 -2.21 0.00 0.00 174.62 171.86 2wrk s GLU 83 N -1.53 0.62 0.49 7.08 -1.05 0.12 -4.97 118.70 119.47 2wrk s GLU 83 Ca 0.05 0.45 -0.22 0.00 -0.15 0.00 0.00 54.97 55.11 2wrk s GLU 83 Cb -0.01 0.30 -0.07 0.00 -0.44 0.00 0.00 34.13 33.91 2wrk s GLU 83 CO -0.04 -0.11 1.14 0.15 0.95 0.00 0.00 175.26 177.35 2wrk s LYS 84 N -0.20 3.62 0.58 -4.83 -0.14 -1.26 -4.22 119.74 113.29 2wrk s LYS 84 Ca -0.04 1.69 -0.16 0.00 -1.36 0.00 0.00 55.97 56.10 2wrk s LYS 84 Cb -0.03 -2.25 -0.04 0.00 -1.68 0.00 0.00 37.83 33.82 2wrk s LYS 84 CO 0.02 -0.65 1.05 -1.17 -0.76 0.00 0.00 175.35 173.85 2wrk s LEU 85 N -3.31 3.54 -0.00 3.17 2.96 -1.26 -4.92 118.68 118.85 2wrk s LEU 85 Ca 0.67 1.82 0.08 0.00 -0.22 0.00 0.00 54.13 56.48 2wrk s LEU 85 Cb -0.26 -4.54 -0.02 0.00 0.50 0.00 0.00 46.19 41.87 2wrk s LEU 85 CO 0.31 -1.11 -0.25 -0.69 -1.32 0.00 0.00 176.35 173.30 2wrk s VAL 86 N -2.41 2.21 -0.02 1.68 1.01 -1.26 -4.95 120.40 116.66 2wrk s VAL 86 Ca 0.64 -1.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 2wrk s VAL 86 Cb -0.16 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.42 2wrk s VAL 86 CO 0.35 0.51 0.05 -1.14 0.00 0.00 0.00 175.10 174.87 2wrk n ARG 87 N 2.21 -4.02 0.00 2.72 0.63 -1.26 -5.25 116.66 111.69 2wrk n ARG 87 Ca -0.16 3.04 0.05 0.00 -0.92 0.00 0.00 57.85 59.86 2wrk n ARG 87 Cb 0.51 -3.95 0.04 0.00 0.45 0.00 0.00 32.46 29.51 2wrk n ARG 87 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29