#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wri s ALA 20 N 0.00 -0.07 -0.32 3.14 0.00 -1.26 -5.12 121.76 118.12 2wri s ALA 20 Ca 0.00 -0.68 -0.44 0.00 0.00 0.00 0.00 51.96 50.85 2wri s ALA 20 Cb 0.00 -1.69 -0.19 0.00 0.00 0.00 0.00 23.12 21.24 2wri s ALA 20 CO 0.00 -1.75 1.49 1.63 0.00 0.00 0.00 175.76 177.13 2wri n LYS 21 N 5.14 0.24 -0.26 0.00 4.76 -1.26 -4.86 118.16 121.92 2wri n LYS 21 Ca -0.01 0.09 0.01 0.00 -2.87 0.00 0.00 58.31 55.52 2wri n LYS 21 Cb 0.44 -1.63 0.13 0.00 -1.84 0.00 0.00 35.03 32.14 2wri n LYS 21 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2wri h VAL 22 N 4.49 0.92 0.00 -0.18 2.07 -1.65 0.25 116.25 122.16 2wri h VAL 22 Ca -0.46 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2wri h VAL 22 Cb 1.37 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2wri h VAL 22 CO 0.89 0.13 0.02 1.17 0.02 0.00 0.00 177.57 179.81 2wri n LYS 23 N -4.78 0.09 -0.21 1.57 4.81 -0.65 -0.20 118.16 118.80 2wri n LYS 23 Ca 0.11 0.58 0.12 0.00 -0.87 0.00 0.00 58.31 58.25 2wri n LYS 23 Cb 0.23 -1.83 0.24 0.00 0.02 0.00 0.00 35.03 33.70 2wri n LYS 23 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wri n ALA 24 N -1.67 2.42 0.59 3.14 0.00 0.88 -4.21 120.51 121.67 2wri n ALA 24 Ca -0.01 -1.00 0.07 0.00 0.00 0.00 0.00 53.44 52.49 2wri n ALA 24 Cb 0.05 -0.90 0.02 0.00 0.00 0.00 0.00 19.45 18.62 2wri n ALA 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wri n THR 25 N 1.44 0.00 -4.38 0.00 -1.04 0.72 -5.00 114.28 106.02 2wri n THR 25 Ca 0.20 -0.41 -0.19 0.00 -2.04 0.00 0.00 64.05 61.61 2wri n THR 25 Cb 0.59 1.21 -0.10 0.00 -1.82 0.00 0.00 70.33 70.21 2wri n THR 25 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wri s LEU 26 N -1.59 2.24 0.00 -4.42 1.43 -1.25 -5.13 118.68 109.95 2wri s LEU 26 Ca 0.13 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 51.98 2wri s LEU 26 Cb 0.11 -0.37 0.00 0.00 0.03 0.00 0.00 46.19 45.96 2wri s LEU 26 CO 0.28 -0.50 0.00 0.61 0.23 0.00 0.00 176.35 176.96 2wri n GLY 27 N -0.51 0.99 3.63 -3.19 0.00 -1.26 -4.98 105.19 99.87 2wri n GLY 27 Ca -0.04 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 2wri n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wri s GLU 28 N 1.62 4.14 -0.05 1.61 2.02 -1.26 -5.04 118.70 121.73 2wri s GLU 28 Ca 0.00 0.64 0.03 0.00 0.02 0.00 0.00 54.97 55.66 2wri s GLU 28 Cb 0.00 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.59 2wri s GLU 28 CO 0.00 -0.42 -0.15 -0.59 0.02 0.00 0.00 175.26 174.13 2wri s PHE 29 N 2.51 1.58 -0.89 1.61 -0.00 -1.26 -5.07 117.98 116.46 2wri s PHE 29 Ca 0.28 -0.52 -0.24 0.00 -0.00 0.00 0.00 56.93 56.46 2wri s PHE 29 Cb -0.15 -1.10 0.05 0.00 -0.00 0.00 0.00 43.02 41.82 2wri s PHE 29 CO 0.08 -0.22 1.33 0.34 -0.00 0.00 0.00 175.22 176.75 2wri s ASP 30 N 0.33 6.38 0.00 1.98 2.15 -1.26 -4.84 116.67 121.41 2wri s ASP 30 Ca -0.09 -1.15 -0.00 0.00 0.43 0.00 0.00 52.55 51.74 2wri s ASP 30 Cb -0.13 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 39.94 2wri s ASP 30 CO 0.03 -1.57 1.42 0.00 -0.17 0.00 0.00 175.17 174.88 2wri n LEU 31 N 8.73 3.71 0.00 -1.34 -0.00 -1.26 -0.51 117.00 126.34 2wri n LEU 31 Ca 0.20 -1.69 0.00 0.00 -0.00 0.00 0.00 56.01 54.52 2wri n LEU 31 Cb 0.50 -0.79 0.00 0.00 -0.00 0.00 0.00 43.42 43.13 2wri n LEU 31 CO 0.66 0.71 -0.08 -1.14 -0.00 0.00 0.00 177.39 177.53 2wri n ARG 32 N 1.67 3.21 -2.62 1.47 3.00 -1.26 -4.15 116.66 117.98 2wri n ARG 32 Ca 0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 2wri n ARG 32 Cb 0.35 -0.41 -0.03 0.00 0.00 0.00 0.00 32.46 32.37 2wri n ARG 32 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2wri s ASP 33 N -0.62 6.22 0.00 6.15 3.68 0.34 -4.87 116.67 127.57 2wri s ASP 33 Ca 0.00 -0.72 0.00 0.00 2.13 0.00 0.00 52.55 53.96 2wri s ASP 33 Cb 0.00 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.94 2wri s ASP 33 CO 0.00 -1.70 0.69 0.00 0.13 0.00 0.00 175.17 174.29 2wri n TYR 34 N 8.91 0.00 0.00 -5.34 0.18 -1.26 -3.81 117.16 115.83 2wri n TYR 34 Ca 0.06 -0.28 0.00 0.00 1.88 0.00 0.00 57.90 59.56 2wri n TYR 34 Cb 0.49 -0.18 0.00 0.00 -0.38 0.00 0.00 39.34 39.27 2wri n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2wri n ARG 35 N 0.41 2.28 -1.17 -3.48 1.74 -1.26 -4.02 116.66 111.16 2wri n ARG 35 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 2wri n ARG 35 Cb 0.35 -0.77 -0.03 0.00 -1.02 0.00 0.00 32.46 30.99 2wri n ARG 35 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2wri n ASN 36 N -1.24 7.39 0.00 0.55 0.23 -1.25 -4.81 115.26 116.13 2wri n ASN 36 Ca 0.00 -2.51 0.00 0.00 -0.53 0.00 0.00 54.58 51.54 2wri n ASN 36 Cb 0.23 -1.43 0.00 0.00 -2.08 0.00 0.00 39.78 36.50 2wri n ASN 36 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 2wri n VAL 37 N 3.86 0.00 0.00 3.53 0.24 -1.26 -1.10 118.33 123.61 2wri n VAL 37 Ca 0.68 0.23 0.00 0.00 -2.04 0.00 0.00 64.34 63.21 2wri n VAL 37 Cb 0.21 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 2wri n VAL 37 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wri n GLU 38 N -1.70 0.00 0.01 7.34 -0.58 -1.26 0.28 120.64 124.73 2wri n GLU 38 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 2wri n GLU 38 Cb 0.00 -0.93 -0.00 0.00 -0.57 0.00 0.00 31.44 29.94 2wri n GLU 38 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2wri n VAL 39 N -0.10 0.66 0.02 2.62 0.31 -0.26 -4.59 118.33 117.00 2wri n VAL 39 Ca 0.00 0.23 -0.11 0.00 -0.01 0.00 0.00 64.34 64.45 2wri n VAL 39 Cb 0.00 -1.41 -0.05 0.00 -0.91 0.00 0.00 33.84 31.47 2wri n VAL 39 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wri h LEU 40 N -0.09 -1.05 0.00 7.52 3.38 -0.12 0.59 115.31 125.55 2wri h LEU 40 Ca 0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2wri h LEU 40 Cb 0.09 0.44 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2wri h LEU 40 CO 0.00 -0.38 0.81 1.17 0.09 0.00 0.00 178.44 180.13 2wri n LYS 41 N -5.42 0.02 -0.18 1.13 3.00 0.81 0.76 118.16 118.28 2wri n LYS 41 Ca -0.04 0.63 0.06 0.00 -0.00 0.00 0.00 58.31 58.96 2wri n LYS 41 Cb 0.34 -2.30 0.18 0.00 0.00 0.00 0.00 35.03 33.24 2wri n LYS 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2wri n ARG 42 N -1.97 1.85 0.00 1.64 0.63 0.21 -3.75 116.66 115.26 2wri n ARG 42 Ca 0.00 -1.31 0.00 0.00 -0.92 0.00 0.00 57.85 55.62 2wri n ARG 42 Cb 0.81 -1.29 0.00 0.00 0.45 0.00 0.00 32.46 32.43 2wri n ARG 42 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2wri n PHE 43 N 0.56 0.00 -2.53 -0.14 3.01 0.23 -4.88 117.46 113.72 2wri n PHE 43 Ca 0.13 -0.16 -0.42 0.00 1.01 0.00 0.00 57.45 58.01 2wri n PHE 43 Cb 0.31 -0.02 0.01 0.00 -0.01 0.00 0.00 39.48 39.78 2wri n PHE 43 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2wri n LEU 44 N -0.16 7.15 0.00 4.37 4.32 -1.25 -1.28 117.00 130.16 2wri n LEU 44 Ca 0.00 -5.09 0.00 0.00 -0.02 0.00 0.00 56.01 50.90 2wri n LEU 44 Cb 0.11 -1.30 0.00 0.00 -1.62 0.00 0.00 43.42 40.61 2wri n LEU 44 CO 0.00 1.83 0.00 -1.54 -1.22 0.00 0.00 177.39 176.46 2wri n SER 45 N 1.44 0.00 0.00 -1.43 3.41 -0.68 -3.66 113.62 112.69 2wri n SER 45 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 2wri n SER 45 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2wri n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wri n GLU 46 N 0.00 0.00 0.26 4.33 -0.58 -1.26 -4.60 120.64 118.78 2wri n GLU 46 Ca 0.00 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 56.91 2wri n GLU 46 Cb 0.00 -0.55 0.86 0.00 -0.57 0.00 0.00 31.44 31.18 2wri n GLU 46 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2wri h THR 47 N 0.00 0.00 0.00 2.62 2.02 -1.80 -3.43 112.91 112.33 2wri h THR 47 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2wri h THR 47 Cb 0.85 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2wri h THR 47 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2wri n GLY 48 N -0.73 1.03 3.72 2.16 0.00 -1.24 0.27 105.19 110.40 2wri n GLY 48 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2wri n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wri s LYS 49 N -0.22 2.27 -0.30 1.61 1.02 -1.26 -4.68 119.74 118.18 2wri s LYS 49 Ca 0.00 1.83 -0.29 0.00 0.02 0.00 0.00 55.97 57.53 2wri s LYS 49 Cb 0.00 -1.84 0.01 0.00 -0.52 0.00 0.00 37.83 35.48 2wri s LYS 49 CO 0.00 -1.75 1.11 0.42 -0.92 0.00 0.00 175.35 174.21 2wri s ILE 50 N -1.83 4.46 0.75 2.17 -1.09 -1.26 -1.69 121.20 122.70 2wri s ILE 50 Ca 0.76 1.69 -0.14 0.00 -2.23 0.00 0.00 60.65 60.73 2wri s ILE 50 Cb -0.31 -4.35 0.05 0.00 -1.58 0.00 0.00 42.46 36.27 2wri s ILE 50 CO 0.43 -0.44 1.21 -0.76 -1.23 0.00 0.00 174.94 174.15 2wri s LEU 51 N 3.71 3.27 0.57 2.97 1.43 -0.40 -4.91 118.68 125.32 2wri s LEU 51 Ca 0.47 2.37 -0.14 0.00 -1.03 0.00 0.00 54.13 55.80 2wri s LEU 51 Cb -0.13 -4.59 -0.06 0.00 0.03 0.00 0.00 46.19 41.44 2wri s LEU 51 CO 0.16 -2.38 1.01 -2.84 0.23 0.00 0.00 176.35 172.53 2wri s PRO 52 N -3.97 3.69 0.47 1.29 0.02 -1.26 -4.71 135.00 130.52 2wri s PRO 52 Ca 0.74 0.91 0.19 0.00 0.02 0.00 0.00 61.00 62.86 2wri s PRO 52 Cb -0.29 -2.10 1.18 0.00 0.02 0.00 0.00 34.50 33.31 2wri s PRO 52 CO 0.47 -0.49 1.97 0.00 -0.33 0.00 0.00 177.00 178.62 2wri h ARG 53 N 0.34 0.24 0.00 5.54 3.08 -1.95 0.92 114.38 122.56 2wri h ARG 53 Ca -0.46 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2wri h ARG 53 Cb 1.19 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2wri h ARG 53 CO 0.61 0.16 0.18 0.54 -1.07 0.00 0.00 179.97 180.39 2wri n ARG 54 N -4.44 0.03 0.07 0.04 1.74 -1.26 -0.88 116.66 111.95 2wri n ARG 54 Ca 0.11 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 2wri n ARG 54 Cb 0.51 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2wri n ARG 54 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wri n ARG 55 N -1.55 0.00 0.02 5.56 5.12 0.30 -4.78 116.66 121.32 2wri n ARG 55 Ca -0.00 0.00 0.23 0.00 -1.93 0.00 0.00 57.85 56.14 2wri n ARG 55 Cb 0.18 -0.38 0.72 0.00 -1.16 0.00 0.00 32.46 31.82 2wri n ARG 55 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 2wri h THR 56 N 0.00 0.37 0.00 0.55 1.35 -0.78 -2.84 112.91 111.56 2wri h THR 56 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2wri h THR 56 Cb 0.05 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.05 2wri h THR 56 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2wri n GLY 57 N -1.55 0.82 3.53 5.82 0.00 -0.06 -1.63 105.19 112.12 2wri n GLY 57 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2wri n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wri s LEU 58 N 0.00 0.53 0.00 0.99 1.02 -1.26 -4.87 118.68 115.09 2wri s LEU 58 Ca 0.00 0.97 0.00 0.00 0.02 0.00 0.00 54.13 55.12 2wri s LEU 58 Cb 0.00 -2.77 0.00 0.00 0.02 0.00 0.00 46.19 43.44 2wri s LEU 58 CO 0.00 -4.19 0.00 -1.54 0.02 0.00 0.00 176.35 170.64 2wri n SER 59 N -4.85 0.00 0.00 2.29 3.41 -1.26 -4.79 113.62 108.42 2wri n SER 59 Ca 0.09 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2wri n SER 59 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2wri n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wri n ALA 60 N -3.00 -0.11 -0.23 7.33 0.00 -1.26 -1.32 120.51 121.92 2wri n ALA 60 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2wri n ALA 60 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 2wri n ALA 60 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wri h LYS 61 N 0.00 0.16 -0.49 0.00 3.64 -2.00 -1.12 116.57 116.76 2wri h LYS 61 Ca 0.00 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 2wri h LYS 61 Cb 0.00 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 31.68 2wri h LYS 61 CO 0.00 0.11 -0.28 0.93 -2.27 0.00 0.00 179.45 177.93 2wri h GLU 62 N 0.17 -0.16 0.11 1.90 5.08 -1.93 -1.40 114.58 118.34 2wri h GLU 62 Ca 0.37 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.76 2wri h GLU 62 Cb 0.62 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2wri h GLU 62 CO -0.54 -0.11 -0.19 0.37 -1.00 0.00 0.00 179.01 177.53 2wri h GLN 63 N -0.17 -0.36 -0.43 2.33 5.75 0.08 -2.61 115.11 119.71 2wri h GLN 63 Ca 0.21 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.80 2wri h GLN 63 Cb 0.52 0.08 -0.09 0.00 1.07 0.00 0.00 27.48 29.06 2wri h GLN 63 CO -0.59 -0.24 -0.51 0.00 -2.65 0.00 0.00 178.83 174.84 2wri h ARG 64 N -0.37 -0.35 0.00 1.69 3.08 -0.93 0.47 114.38 117.97 2wri h ARG 64 Ca 0.03 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2wri h ARG 64 Cb 0.39 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 2wri h ARG 64 CO -0.11 -0.23 -0.03 -0.84 -1.07 0.00 0.00 179.97 177.69 2wri h ILE 65 N -0.37 0.66 0.17 2.04 3.07 -1.31 -1.61 117.51 120.15 2wri h ILE 65 Ca 0.10 -0.11 -0.01 0.00 1.55 0.00 0.00 64.86 66.39 2wri h ILE 65 Cb 0.59 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.21 2wri h ILE 65 CO -0.60 0.03 -0.08 0.25 -1.05 0.00 0.00 178.15 176.70 2wri h LEU 66 N 0.00 -0.19 -0.94 0.16 5.85 -0.72 -3.15 115.31 116.32 2wri h LEU 66 Ca -0.00 -0.29 0.25 0.00 0.84 0.00 0.00 57.88 58.68 2wri h LEU 66 Cb 0.07 0.05 -0.18 0.00 0.37 0.00 0.00 40.66 40.97 2wri h LEU 66 CO 0.00 0.38 -0.01 0.00 -0.34 0.00 0.00 178.44 178.47 2wri n ALA 67 N -2.64 0.45 -0.19 1.25 0.00 0.15 -1.28 120.51 118.25 2wri n ALA 67 Ca -0.07 1.01 0.00 0.00 0.00 0.00 0.00 53.44 54.38 2wri n ALA 67 Cb 0.23 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2wri n ALA 67 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wri n LYS 68 N -5.41 0.00 -0.40 0.00 4.01 -0.82 -3.02 118.16 112.52 2wri n LYS 68 Ca 0.21 0.40 -0.09 0.00 -0.51 0.00 0.00 58.31 58.32 2wri n LYS 68 Cb 0.69 -1.39 -0.07 0.00 -0.51 0.00 0.00 35.03 33.75 2wri n LYS 68 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2wri n THR 69 N -1.71 -0.64 -0.34 -0.18 -2.24 -0.66 0.98 114.28 109.50 2wri n THR 69 Ca 0.00 2.34 0.36 0.00 -2.27 0.00 0.00 64.05 64.48 2wri n THR 69 Cb 0.00 -2.92 0.71 0.00 -2.10 0.00 0.00 70.33 66.02 2wri n THR 69 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2wri h ILE 70 N 0.00 0.24 0.08 2.28 2.04 -1.26 2.65 117.51 123.54 2wri h ILE 70 Ca 0.19 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.80 2wri h ILE 70 Cb 0.43 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2wri h ILE 70 CO -0.92 0.00 -1.12 0.11 0.00 0.00 0.00 178.15 176.22 2wri h LYS 71 N 0.00 0.27 0.96 2.37 1.57 0.71 -2.80 116.57 119.65 2wri h LYS 71 Ca 0.59 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 2wri h LYS 71 Cb 2.58 0.14 0.01 0.00 0.08 0.00 0.00 32.23 35.03 2wri h LYS 71 CO -0.01 1.15 -0.46 0.00 -0.57 0.00 0.00 179.45 179.56 2wri h ARG 72 N 0.10 -1.24 -0.75 3.15 3.08 0.52 -1.34 114.38 117.90 2wri h ARG 72 Ca -0.10 0.08 0.13 0.00 0.07 0.00 0.00 59.98 60.16 2wri h ARG 72 Cb 1.82 0.28 -0.14 0.00 0.08 0.00 0.00 29.97 32.01 2wri h ARG 72 CO 0.18 -0.83 -0.32 0.00 -1.07 0.00 0.00 179.97 177.93 2wri h ALA 73 N -1.37 0.13 -0.70 0.04 0.00 -1.20 0.45 119.26 116.62 2wri h ALA 73 Ca -0.13 0.23 0.13 0.00 0.00 0.00 0.00 54.91 55.14 2wri h ALA 73 Cb 0.98 0.82 -0.13 0.00 0.00 0.00 0.00 17.79 19.46 2wri h ALA 73 CO 0.22 -0.61 -0.25 0.00 0.00 0.00 0.00 179.25 178.60 2wri h ARG 74 N -0.08 -0.06 -0.16 0.00 3.08 -1.20 0.54 114.38 116.50 2wri h ARG 74 Ca 0.30 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.36 2wri h ARG 74 Cb 0.57 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 2wri h ARG 74 CO -0.80 -0.04 0.11 0.82 -1.07 0.00 0.00 179.97 178.98 2wri h ILE 75 N -0.06 1.03 -0.00 2.04 2.04 0.10 0.59 117.51 123.24 2wri h ILE 75 Ca 0.31 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.10 2wri h ILE 75 Cb 0.55 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2wri h ILE 75 CO -0.74 0.03 0.00 0.18 0.00 0.00 0.00 178.15 177.62 2wri n LEU 76 N -4.51 0.02 0.00 1.44 7.99 0.18 -4.80 117.00 117.31 2wri n LEU 76 Ca -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 2wri n LEU 76 Cb 0.10 -0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 2wri n LEU 76 CO 0.34 0.01 0.00 0.61 -1.51 0.00 0.00 177.39 176.84 2wri n GLY 77 N 0.56 0.21 0.00 -0.72 0.00 0.21 -4.77 105.19 100.67 2wri n GLY 77 Ca 0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.20 2wri n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wri n LEU 78 N 0.00 0.02 -3.63 0.99 4.77 -0.38 -4.82 117.00 113.95 2wri n LEU 78 Ca 0.00 0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 2wri n LEU 78 Cb 0.24 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 2wri n LEU 78 CO 0.00 0.00 0.21 -0.76 -1.33 0.00 0.00 177.39 175.51 2wri s LEU 79 N -2.45 0.19 0.36 2.23 1.43 -1.22 -4.79 118.68 114.43 2wri s LEU 79 Ca 0.32 0.12 -0.17 0.00 -1.03 0.00 0.00 54.13 53.38 2wri s LEU 79 Cb 0.21 1.90 -0.10 0.00 0.03 0.00 0.00 46.19 48.23 2wri s LEU 79 CO 0.44 -0.66 0.80 -2.16 0.23 0.00 0.00 176.35 175.00 2wri s PRO 80 N -2.28 4.07 -0.06 1.29 0.04 -1.26 -4.26 135.00 132.53 2wri s PRO 80 Ca -0.06 0.81 0.13 0.00 0.04 0.00 0.00 61.00 61.91 2wri s PRO 80 Cb -0.01 -2.35 -0.23 0.00 0.04 0.00 0.00 34.50 31.95 2wri s PRO 80 CO -0.01 0.09 0.60 1.19 0.04 0.00 0.00 177.00 178.91 2wri n PHE 81 N -0.49 0.90 -3.60 0.56 0.99 -1.26 -4.91 117.46 109.65 2wri n PHE 81 Ca 0.05 0.33 -0.06 0.00 -0.00 0.00 0.00 57.45 57.76 2wri n PHE 81 Cb 0.53 -1.17 -0.04 0.00 -1.00 0.00 0.00 39.48 37.81 2wri n PHE 81 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 2wri s THR 82 N -2.59 0.00 -0.12 4.37 -1.32 -1.26 -4.69 115.64 110.04 2wri s THR 82 Ca -0.05 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.26 2wri s THR 82 Cb 0.08 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.11 2wri s THR 82 CO 0.82 0.00 0.42 -1.83 -2.21 0.00 0.00 174.62 171.83 2wri s GLU 83 N -1.45 0.58 0.51 7.08 -1.05 0.14 -4.96 118.70 119.55 2wri s GLU 83 Ca 0.04 0.40 -0.21 0.00 -0.15 0.00 0.00 54.97 55.05 2wri s GLU 83 Cb -0.01 0.28 -0.07 0.00 -0.44 0.00 0.00 34.13 33.89 2wri s GLU 83 CO -0.03 -0.11 1.15 0.15 0.95 0.00 0.00 175.26 177.37 2wri s LYS 84 N -0.22 3.53 0.57 -4.83 -0.14 -1.26 -4.22 119.74 113.17 2wri s LYS 84 Ca -0.04 1.69 -0.16 0.00 -1.36 0.00 0.00 55.97 56.10 2wri s LYS 84 Cb -0.03 -2.19 -0.05 0.00 -1.68 0.00 0.00 37.83 33.88 2wri s LYS 84 CO 0.02 -0.72 1.05 -1.17 -0.76 0.00 0.00 175.35 173.77 2wri s LEU 85 N -3.45 3.56 -0.01 3.17 2.96 -1.26 -4.91 118.68 118.74 2wri s LEU 85 Ca 0.69 1.81 0.07 0.00 -0.22 0.00 0.00 54.13 56.48 2wri s LEU 85 Cb -0.26 -4.53 -0.02 0.00 0.50 0.00 0.00 46.19 41.87 2wri s LEU 85 CO 0.31 -1.05 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.37 2wri s VAL 86 N -2.40 2.31 -0.03 1.68 1.01 -1.26 -4.95 120.40 116.76 2wri s VAL 86 Ca 0.64 -1.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 2wri s VAL 86 Cb -0.15 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.39 2wri s VAL 86 CO 0.34 0.53 0.06 -1.14 0.00 0.00 0.00 175.10 174.89 2wri n ARG 87 N 2.25 -3.78 0.00 2.72 0.63 -1.26 -5.25 116.66 111.98 2wri n ARG 87 Ca -0.16 2.89 0.05 0.00 -0.92 0.00 0.00 57.85 59.71 2wri n ARG 87 Cb 0.51 -3.79 0.04 0.00 0.45 0.00 0.00 32.46 29.67 2wri n ARG 87 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29