#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wsf n GLY 29 N 0.00 0.90 0.00 4.50 0.00 -1.26 -5.10 105.19 104.23 2wsf n GLY 29 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2wsf n GLY 29 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wsf n PRO 30 N 0.00 2.40 -4.33 1.61 -0.04 -1.26 -5.13 135.00 128.25 2wsf n PRO 30 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 2wsf n PRO 30 Cb 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.29 2wsf n PRO 30 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2wsf s LYS 31 N 4.75 1.92 -0.10 0.54 1.02 -1.26 -5.05 119.74 121.56 2wsf s LYS 31 Ca 0.00 -0.45 -0.11 0.00 0.02 0.00 0.00 55.97 55.43 2wsf s LYS 31 Cb 0.00 -1.70 -0.04 0.00 -0.52 0.00 0.00 37.83 35.58 2wsf s LYS 31 CO 0.00 -0.10 -0.21 -2.13 -0.92 0.00 0.00 175.35 171.99 2wsf n ARG 32 N 4.31 0.32 -2.77 1.68 0.00 -1.26 -4.97 116.66 113.97 2wsf n ARG 32 Ca -0.18 0.13 -0.09 0.00 -0.00 0.00 0.00 57.85 57.70 2wsf n ARG 32 Cb 0.51 -1.05 0.05 0.00 0.00 0.00 0.00 32.46 31.97 2wsf n ARG 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wsf n GLY 33 N 1.81 0.26 0.02 5.14 0.00 -1.26 -4.71 105.19 106.45 2wsf n GLY 33 Ca -0.09 0.03 0.02 0.00 0.00 0.00 0.00 46.02 45.99 2wsf n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wsf n SER 34 N 1.49 0.35 0.00 1.61 7.64 -1.26 -4.23 113.62 119.22 2wsf n SER 34 Ca 0.09 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.30 2wsf n SER 34 Cb 0.63 0.89 0.00 0.00 -1.01 0.00 0.00 64.21 64.73 2wsf n SER 34 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2wsf n LYS 35 N -0.96 0.00 -3.73 1.43 -0.00 -1.26 -4.97 118.16 108.66 2wsf n LYS 35 Ca 0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.16 2wsf n LYS 35 Cb 0.08 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 34.95 2wsf n LYS 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2wsf s VAL 36 N 0.00 -0.09 1.00 0.58 -7.23 -1.16 -5.04 120.40 108.45 2wsf s VAL 36 Ca 0.00 0.26 -0.13 0.00 -1.81 0.00 0.00 61.98 60.31 2wsf s VAL 36 Cb 0.00 -0.17 0.19 0.00 0.56 0.00 0.00 36.38 36.96 2wsf s VAL 36 CO 0.00 0.11 1.10 -0.75 -0.31 0.00 0.00 175.10 175.25 2wsf s LYS 37 N 1.47 0.41 0.01 4.82 2.20 -1.26 -3.53 119.74 123.85 2wsf s LYS 37 Ca -0.05 0.45 0.06 0.00 -0.36 0.00 0.00 55.97 56.08 2wsf s LYS 37 Cb -0.12 -1.74 -0.02 0.00 -1.51 0.00 0.00 37.83 34.44 2wsf s LYS 37 CO -0.04 -2.73 -0.20 0.42 -0.36 0.00 0.00 175.35 172.44 2wsf s ILE 38 N -3.01 1.59 -0.39 5.43 1.09 -0.52 -4.60 121.20 120.79 2wsf s ILE 38 Ca 0.65 -0.98 0.04 0.00 -1.10 0.00 0.00 60.65 59.26 2wsf s ILE 38 Cb -0.18 -1.34 0.16 0.00 -1.06 0.00 0.00 42.46 40.04 2wsf s ILE 38 CO 0.57 0.34 0.41 -0.22 -0.10 0.00 0.00 174.94 175.94 2wsf s LEU 39 N -0.74 -0.10 0.00 2.97 0.20 -1.26 -2.78 118.68 116.96 2wsf s LEU 39 Ca 0.07 -1.68 0.00 0.00 0.69 0.00 0.00 54.13 53.21 2wsf s LEU 39 Cb -0.08 0.64 0.00 0.00 -0.43 0.00 0.00 46.19 46.32 2wsf s LEU 39 CO 0.00 -0.23 0.00 0.54 -0.29 0.00 0.00 176.35 176.37 2wsf n ARG 40 N 4.05 0.00 -2.16 1.98 5.12 -1.26 -4.83 116.66 119.56 2wsf n ARG 40 Ca 0.13 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 56.04 2wsf n ARG 40 Cb 0.47 -0.26 0.00 0.00 -1.16 0.00 0.00 32.46 31.51 2wsf n ARG 40 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2wsf n ARG 41 N -1.35 -0.59 0.00 5.56 1.74 -1.26 -4.85 116.66 115.91 2wsf n ARG 41 Ca 0.00 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 2wsf n ARG 41 Cb 0.00 -3.27 0.00 0.00 -1.02 0.00 0.00 32.46 28.17 2wsf n ARG 41 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2wsf n GLU 42 N -1.43 0.00 -1.80 5.56 0.28 -1.26 -5.10 120.64 116.89 2wsf n GLU 42 Ca -0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 2wsf n GLU 42 Cb 0.51 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.35 2wsf n GLU 42 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2wsf s SER 43 N -1.64 6.48 0.09 -1.84 0.15 -1.26 -4.94 113.70 110.74 2wsf s SER 43 Ca 0.00 2.69 -0.29 0.00 0.70 0.00 0.00 55.95 59.04 2wsf s SER 43 Cb 0.00 -2.57 -0.12 0.00 -1.71 0.00 0.00 66.02 61.61 2wsf s SER 43 CO 0.00 -0.95 1.47 0.22 1.20 0.00 0.00 173.24 175.19 2wsf h TYR 44 N 8.00 -1.32 -0.27 3.44 3.20 -1.99 -1.91 116.97 126.11 2wsf h TYR 44 Ca -0.44 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.38 2wsf h TYR 44 Cb 1.21 0.57 -0.05 0.00 1.54 0.00 0.00 36.73 39.99 2wsf h TYR 44 CO 0.74 -0.50 0.11 -2.67 -1.64 0.00 0.00 178.16 174.20 2wsf n TRP 45 N -5.02 0.90 0.00 -3.82 2.14 -1.26 -4.82 117.44 105.56 2wsf n TRP 45 Ca -0.07 -0.61 0.00 0.00 2.07 0.00 0.00 57.50 58.89 2wsf n TRP 45 Cb 0.35 -0.37 0.00 0.00 -0.81 0.00 0.00 31.31 30.48 2wsf n TRP 45 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 2wsf n PHE 46 N 0.07 0.00 0.07 -2.67 7.35 -0.72 -1.02 117.46 120.54 2wsf n PHE 46 Ca 0.15 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.88 2wsf n PHE 46 Cb 0.75 0.00 0.23 0.00 0.35 0.00 0.00 39.48 40.80 2wsf n PHE 46 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2wsf n LYS 47 N 0.00 0.05 -3.06 -4.13 5.02 -1.12 -1.45 118.16 113.48 2wsf n LYS 47 Ca 0.00 0.52 -0.35 0.00 -2.02 0.00 0.00 58.31 56.46 2wsf n LYS 47 Cb 0.00 -1.74 -0.06 0.00 -0.02 0.00 0.00 35.03 33.21 2wsf n LYS 47 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2wsf s ASN 48 N -3.31 7.01 -0.37 4.39 3.84 -0.19 -4.64 114.94 121.67 2wsf s ASN 48 Ca -0.01 1.44 -0.12 0.00 0.21 0.00 0.00 52.86 54.39 2wsf s ASN 48 Cb 0.02 -2.43 0.02 0.00 -0.55 0.00 0.00 41.25 38.31 2wsf s ASN 48 CO 0.08 -0.06 0.23 -0.69 -2.79 0.00 0.00 177.10 173.86 2wsf s VAL 49 N -1.69 4.82 0.00 -5.21 1.01 -1.26 -3.59 120.40 114.48 2wsf s VAL 49 Ca 0.48 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2wsf s VAL 49 Cb -0.15 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2wsf s VAL 49 CO 0.20 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2wsf n GLY 50 N 5.05 3.66 3.98 4.51 0.00 -1.23 -4.92 105.19 116.24 2wsf n GLY 50 Ca -0.12 -2.15 -0.20 0.00 0.00 0.00 0.00 46.02 43.56 2wsf n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wsf s SER 51 N -0.76 5.35 0.00 1.61 0.15 0.25 -3.01 113.70 117.30 2wsf s SER 51 Ca 0.00 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.50 2wsf s SER 51 Cb 0.00 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.54 2wsf s SER 51 CO 0.00 -1.06 0.00 0.52 1.20 0.00 0.00 173.24 173.90 2wsf n VAL 52 N -2.22 0.00 0.00 4.45 0.31 -1.26 0.30 118.33 119.91 2wsf n VAL 52 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2wsf n VAL 52 Cb 0.60 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 2wsf n VAL 52 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2wsf n VAL 53 N 0.00 0.00 0.00 2.52 0.31 -1.22 -4.43 118.33 115.51 2wsf n VAL 53 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wsf n VAL 53 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wsf n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wsf n ALA 54 N -0.63 0.00 -1.38 3.52 0.00 -1.26 -4.00 120.51 116.76 2wsf n ALA 54 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 2wsf n ALA 54 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2wsf n ALA 54 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2wsf n VAL 55 N 0.00 1.65 -0.95 0.00 3.14 -1.26 -4.79 118.33 116.13 2wsf n VAL 55 Ca 0.00 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.54 2wsf n VAL 55 Cb 0.00 -0.02 0.11 0.00 -1.06 0.00 0.00 33.84 32.87 2wsf n VAL 55 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2wsf n ASP 56 N 2.07 -1.37 -0.05 6.55 10.43 -1.26 -4.91 116.55 128.01 2wsf n ASP 56 Ca 0.16 0.43 -0.05 0.00 2.57 0.00 0.00 54.79 57.91 2wsf n ASP 56 Cb 0.29 -1.26 -0.02 0.00 1.84 0.00 0.00 41.12 41.98 2wsf n ASP 56 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wsf n GLN 57 N -1.76 0.28 -0.90 -1.24 0.00 -1.26 -5.01 117.38 107.47 2wsf n GLN 57 Ca 0.09 0.11 -0.30 0.00 0.00 0.00 0.00 57.00 56.89 2wsf n GLN 57 Cb 0.52 -0.98 0.16 0.00 0.00 0.00 0.00 30.24 29.94 2wsf n GLN 57 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 2wsf s ASP 58 N -5.01 3.10 0.35 2.61 -4.77 -1.26 -4.90 116.67 106.79 2wsf s ASP 58 Ca -0.15 1.87 0.17 0.00 -3.30 0.00 0.00 52.55 51.14 2wsf s ASP 58 Cb 0.02 -2.44 1.19 0.00 -1.09 0.00 0.00 42.92 40.60 2wsf s ASP 58 CO 0.22 -2.93 1.63 -0.65 0.70 0.00 0.00 175.17 174.14 2wsf h PRO 59 N -1.75 0.21 0.00 2.11 0.11 -2.07 -3.44 132.00 127.17 2wsf h PRO 59 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wsf h PRO 59 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2wsf h PRO 59 CO 0.48 0.14 0.00 0.36 -0.21 0.00 0.00 178.00 178.76 2wsf n LYS 60 N -5.11 0.00 0.00 1.05 2.85 -1.26 -5.02 118.16 110.66 2wsf n LYS 60 Ca 0.34 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.60 2wsf n LYS 60 Cb 1.10 -0.11 0.00 0.00 -0.65 0.00 0.00 35.03 35.37 2wsf n LYS 60 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2wsf n THR 61 N 0.00 0.00 0.00 0.58 -1.04 -1.26 -5.08 114.28 107.48 2wsf n THR 61 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2wsf n THR 61 Cb 0.00 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 2wsf n THR 61 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2wsf n ARG 62 N 0.00 2.88 -2.51 -2.82 1.85 -1.26 -4.88 116.66 109.92 2wsf n ARG 62 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 2wsf n ARG 62 Cb 0.00 -0.70 0.00 0.00 -1.05 0.00 0.00 32.46 30.71 2wsf n ARG 62 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2wsf n TYR 63 N -0.78 3.39 0.00 2.89 4.01 -1.26 -4.65 117.16 120.77 2wsf n TYR 63 Ca 0.00 -3.09 0.00 0.00 -0.16 0.00 0.00 57.90 54.65 2wsf n TYR 63 Cb 0.00 -0.61 0.00 0.00 -0.31 0.00 0.00 39.34 38.42 2wsf n TYR 63 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2wsf n PRO 64 N -0.36 2.52 -0.81 -0.72 -0.02 -1.26 -4.82 135.00 129.53 2wsf n PRO 64 Ca 0.41 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2wsf n PRO 64 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 2wsf n PRO 64 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2wsf n VAL 65 N 0.00 0.00 -2.67 -1.45 3.14 -1.22 -3.85 118.33 112.28 2wsf n VAL 65 Ca 0.00 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 2wsf n VAL 65 Cb 0.00 -0.58 -0.05 0.00 -1.06 0.00 0.00 33.84 32.15 2wsf n VAL 65 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2wsf s VAL 66 N 0.00 4.02 0.27 1.55 1.01 -1.26 -1.08 120.40 124.91 2wsf s VAL 66 Ca 0.00 1.45 0.04 0.00 0.00 0.00 0.00 61.98 63.47 2wsf s VAL 66 Cb 0.00 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 2wsf s VAL 66 CO 0.00 -0.08 0.01 0.68 0.00 0.00 0.00 175.10 175.71 2wsf s VAL 67 N -1.83 1.16 -0.16 2.92 -7.23 -0.01 -3.39 120.40 111.86 2wsf s VAL 67 Ca 0.59 -2.04 -0.18 0.00 -1.81 0.00 0.00 61.98 58.53 2wsf s VAL 67 Cb -0.17 -2.50 0.05 0.00 0.56 0.00 0.00 36.38 34.32 2wsf s VAL 67 CO 0.22 -0.22 0.50 0.00 -0.31 0.00 0.00 175.10 175.29 2wsf s ARG 68 N -3.86 0.63 0.13 4.82 1.04 0.87 -3.70 118.95 118.88 2wsf s ARG 68 Ca 0.31 0.59 -0.12 0.00 -1.04 0.00 0.00 55.73 55.47 2wsf s ARG 68 Cb 0.06 0.30 0.01 0.00 -2.04 0.00 0.00 34.95 33.29 2wsf s ARG 68 CO 0.11 -0.10 0.31 0.12 -0.04 0.00 0.00 175.30 175.71 2wsf s PHE 69 N 0.02 0.04 0.14 5.89 5.36 -1.26 0.88 117.98 129.05 2wsf s PHE 69 Ca -0.02 -0.41 -0.28 0.00 -0.96 0.00 0.00 56.93 55.26 2wsf s PHE 69 Cb -0.03 0.10 -0.03 0.00 -0.34 0.00 0.00 43.02 42.71 2wsf s PHE 69 CO 0.02 -0.67 1.59 0.00 -1.46 0.00 0.00 175.22 174.70 2wsf h ALA 70 N 2.52 -0.50 -2.51 11.12 0.00 -1.99 -3.43 119.26 124.47 2wsf h ALA 70 Ca -0.33 0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.06 2wsf h ALA 70 Cb 1.23 0.75 0.03 0.00 0.00 0.00 0.00 17.79 19.80 2wsf h ALA 70 CO 0.50 -0.88 0.87 -1.59 0.00 0.00 0.00 179.25 178.15 2wsf s LYS 71 N -5.92 4.24 0.00 0.00 -2.85 -1.26 -4.98 119.74 108.98 2wsf s LYS 71 Ca -0.15 2.23 0.00 0.00 -1.00 0.00 0.00 55.97 57.04 2wsf s LYS 71 Cb 0.10 -3.37 0.00 0.00 -2.06 0.00 0.00 37.83 32.50 2wsf s LYS 71 CO 0.65 -0.60 0.00 0.28 0.10 0.00 0.00 175.35 175.78 2wsf n VAL 72 N 4.30 0.00 -0.44 1.79 0.31 -1.26 -5.00 118.33 118.03 2wsf n VAL 72 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2wsf n VAL 72 Cb 0.41 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 2wsf n VAL 72 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2wsf n ASN 73 N 0.00 0.00 0.22 4.52 2.04 -1.26 -4.77 115.26 116.00 2wsf n ASN 73 Ca 0.00 0.00 0.10 0.00 -0.44 0.00 0.00 54.58 54.24 2wsf n ASN 73 Cb 0.00 0.00 0.40 0.00 -2.53 0.00 0.00 39.78 37.65 2wsf n ASN 73 CO 0.00 0.00 0.00 1.88 -0.44 0.00 0.00 177.26 178.70 2wsf h TYR 74 N 0.00 0.00 -3.87 -2.53 0.05 -1.99 -3.43 116.97 105.20 2wsf h TYR 74 Ca 0.00 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.29 2wsf h TYR 74 Cb 0.00 0.00 0.05 0.00 1.01 0.00 0.00 36.73 37.79 2wsf h TYR 74 CO 0.00 0.21 0.23 0.00 -1.05 0.00 0.00 178.16 177.55 2wsf s ALA 75 N -3.51 3.23 0.15 3.88 0.00 -1.26 -5.00 121.76 119.25 2wsf s ALA 75 Ca 0.02 -0.50 -0.11 0.00 0.00 0.00 0.00 51.96 51.36 2wsf s ALA 75 Cb 0.09 -2.74 0.01 0.00 0.00 0.00 0.00 23.12 20.48 2wsf s ALA 75 CO 0.64 -0.73 1.56 -0.91 0.00 0.00 0.00 175.76 176.32 2wsf h ASN 76 N -0.18 0.94 -3.34 0.00 4.21 -2.00 -3.42 115.58 111.78 2wsf h ASN 76 Ca -0.45 -0.36 -0.66 0.00 1.21 0.00 0.00 56.30 56.03 2wsf h ASN 76 Cb 1.23 -0.26 -0.28 0.00 -1.12 0.00 0.00 38.32 37.89 2wsf h ASN 76 CO 0.62 1.08 -0.79 -0.63 -1.29 0.00 0.00 177.43 176.42 2wsf s ILE 77 N -4.81 2.80 -0.30 2.81 1.01 -1.26 -4.95 121.20 116.50 2wsf s ILE 77 Ca -0.12 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 2wsf s ILE 77 Cb 0.12 -2.15 0.11 0.00 0.01 0.00 0.00 42.46 40.55 2wsf s ILE 77 CO 0.85 0.53 0.17 -0.55 0.00 0.00 0.00 174.94 175.94 2wsf s SER 78 N 0.32 3.15 -0.33 3.58 0.15 -1.26 -5.04 113.70 114.27 2wsf s SER 78 Ca -0.12 -1.37 0.04 0.00 0.70 0.00 0.00 55.95 55.19 2wsf s SER 78 Cb -0.16 -0.23 0.17 0.00 -1.71 0.00 0.00 66.02 64.09 2wsf s SER 78 CO 0.06 -0.41 0.47 -0.89 1.20 0.00 0.00 173.24 173.67 2wsf s THR 79 N 1.95 -0.68 0.35 6.45 2.01 -1.26 -4.82 115.64 119.63 2wsf s THR 79 Ca 0.11 -0.35 0.08 0.00 0.31 0.00 0.00 61.69 61.83 2wsf s THR 79 Cb -0.17 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 2wsf s THR 79 CO -0.30 -0.26 0.20 0.21 -0.69 0.00 0.00 174.62 173.78 2wsf s ASN 80 N 2.22 4.85 -0.22 3.53 3.84 -1.24 -4.93 114.94 122.99 2wsf s ASN 80 Ca 0.12 -0.71 0.01 0.00 0.21 0.00 0.00 52.86 52.49 2wsf s ASN 80 Cb -0.11 -0.77 0.03 0.00 -0.55 0.00 0.00 41.25 39.85 2wsf s ASN 80 CO -0.20 -0.35 -0.14 0.54 -2.79 0.00 0.00 177.10 174.17 2wsf s ASN 81 N -3.90 3.86 0.31 -4.21 2.20 -1.26 -0.83 114.94 111.11 2wsf s ASN 81 Ca 0.39 -0.95 0.03 0.00 -0.94 0.00 0.00 52.86 51.39 2wsf s ASN 81 Cb -0.03 -1.55 0.03 0.00 -2.00 0.00 0.00 41.25 37.70 2wsf s ASN 81 CO 0.24 -0.09 0.27 -1.22 -2.94 0.00 0.00 177.10 173.36 2wsf n TYR 82 N 4.57 -1.30 -3.73 1.54 4.01 -0.24 -4.97 117.16 117.05 2wsf n TYR 82 Ca -0.18 -1.29 -0.13 0.00 -0.16 0.00 0.00 57.90 56.15 2wsf n TYR 82 Cb 0.47 -0.26 -0.10 0.00 -0.31 0.00 0.00 39.34 39.13 2wsf n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wsf s ALA 83 N -2.43 -1.01 0.06 -0.72 0.00 -1.26 -3.43 121.76 112.97 2wsf s ALA 83 Ca 0.21 1.19 0.07 0.00 0.00 0.00 0.00 51.96 53.44 2wsf s ALA 83 Cb -0.02 -0.70 0.41 0.00 0.00 0.00 0.00 23.12 22.81 2wsf s ALA 83 CO 0.13 -0.20 1.05 1.47 0.00 0.00 0.00 175.76 178.21 2wsf n LEU 84 N 3.05 0.19 -4.52 0.00 -0.00 -1.26 -4.04 117.00 110.43 2wsf n LEU 84 Ca -0.15 0.42 -0.32 0.00 -0.00 0.00 0.00 56.01 55.96 2wsf n LEU 84 Cb 0.57 -0.31 -0.05 0.00 -0.00 0.00 0.00 43.42 43.63 2wsf n LEU 84 CO 0.12 -0.48 1.65 -0.90 -0.00 0.00 0.00 177.39 177.78 2wsf n ASP 85 N -1.85 3.43 0.00 1.45 5.68 -1.26 -3.47 116.55 120.53 2wsf n ASP 85 Ca -0.00 -2.74 0.00 0.00 -0.50 0.00 0.00 54.79 51.54 2wsf n ASP 85 Cb 0.45 -1.71 0.00 0.00 -1.14 0.00 0.00 41.12 38.72 2wsf n ASP 85 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2wsf n GLU 86 N 8.20 0.00 -0.49 0.11 0.28 -1.26 -5.01 120.64 122.47 2wsf n GLU 86 Ca 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 2wsf n GLU 86 Cb 0.46 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.33 2wsf n GLU 86 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2wsf n VAL 87 N 0.00 0.00 0.30 3.84 0.31 -1.23 -4.41 118.33 117.15 2wsf n VAL 87 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wsf n VAL 87 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wsf n VAL 87 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wsf n GLU 88 N -0.05 0.24 0.00 5.55 1.02 -1.26 -4.55 120.64 121.58 2wsf n GLU 88 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2wsf n GLU 88 Cb 0.00 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2wsf n GLU 88 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2wsf n GLU 89 N 0.14 0.00 0.00 3.49 2.13 -1.26 -4.46 120.64 120.68 2wsf n GLU 89 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2wsf n GLU 89 Cb 0.04 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.75 2wsf n GLU 89 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2wsf n VAL 90 N -0.69 0.00 -3.74 6.31 3.14 -1.26 -4.57 118.33 117.51 2wsf n VAL 90 Ca 0.00 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.08 2wsf n VAL 90 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 2wsf n VAL 90 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wsf n ALA 91 N 1.99 -1.01 0.00 1.55 0.00 -1.26 -5.07 120.51 116.71 2wsf n ALA 91 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2wsf n ALA 91 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2wsf n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50