#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hoe s THR 2 N 0.00 2.03 -0.50 5.18 2.01 -1.26 -5.03 115.64 118.07 1hoe s THR 2 Ca 0.00 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.07 1hoe s THR 2 Cb 0.00 -1.79 0.41 0.00 0.01 0.00 0.00 72.50 71.13 1hoe s THR 2 CO 0.00 0.55 1.25 1.07 -0.69 0.00 0.00 174.62 176.79 1hoe n THR 3 N 3.93 2.55 0.16 -0.82 5.66 -1.26 -4.75 114.28 119.76 1hoe n THR 3 Ca -0.20 -4.83 0.04 0.00 -3.05 0.00 0.00 64.05 56.01 1hoe n THR 3 Cb 0.52 -1.26 0.19 0.00 -1.55 0.00 0.00 70.33 68.22 1hoe n THR 3 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1hoe h VAL 4 N 2.49 0.87 -3.27 1.08 2.07 -2.02 -3.44 116.25 114.03 1hoe h VAL 4 Ca 0.34 -1.87 -0.58 0.00 0.82 0.00 0.00 66.70 65.41 1hoe h VAL 4 Cb 0.80 2.18 -0.06 0.00 -1.52 0.00 0.00 31.29 32.68 1hoe h VAL 4 CO 0.93 0.43 -0.10 -0.44 0.02 0.00 0.00 177.57 178.42 1hoe s SER 5 N -6.43 6.82 0.02 0.57 0.01 -1.26 -4.99 113.70 108.43 1hoe s SER 5 Ca 0.02 0.98 -0.30 0.00 1.31 0.00 0.00 55.95 57.96 1hoe s SER 5 Cb 0.09 -2.31 -0.07 0.00 0.21 0.00 0.00 66.02 63.94 1hoe s SER 5 CO 0.71 0.09 1.73 -0.70 0.41 0.00 0.00 173.24 175.48 1hoe s GLU 6 N 0.04 4.18 0.66 12.44 2.12 -1.26 -4.92 118.70 131.95 1hoe s GLU 6 Ca 0.28 2.35 -0.18 0.00 0.36 0.00 0.00 54.97 57.78 1hoe s GLU 6 Cb -0.17 -3.88 -0.01 0.00 0.26 0.00 0.00 34.13 30.34 1hoe s GLU 6 CO 0.14 -0.83 1.22 -2.30 -0.54 0.00 0.00 175.26 172.95 1hoe n PRO 7 N 6.63 0.97 -1.66 4.30 -0.02 -1.26 -0.10 135.00 143.87 1hoe n PRO 7 Ca 0.17 0.39 -0.31 0.00 -2.02 0.00 0.00 63.50 61.73 1hoe n PRO 7 Cb 0.41 -2.46 0.04 0.00 -0.02 0.00 0.00 33.50 31.47 1hoe n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hoe s ALA 8 N -1.48 2.80 0.35 3.55 0.00 0.18 -4.17 121.76 122.98 1hoe s ALA 8 Ca 0.81 0.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.52 1hoe s ALA 8 Cb -0.38 -3.15 -0.11 0.00 0.00 0.00 0.00 23.12 19.48 1hoe s ALA 8 CO 0.42 -1.07 1.53 -2.30 0.00 0.00 0.00 175.76 174.35 1hoe n PRO 9 N -3.00 2.71 0.05 0.00 -0.02 -1.26 -4.87 135.00 128.60 1hoe n PRO 9 Ca 0.07 0.95 0.21 0.00 -2.02 0.00 0.00 63.50 62.72 1hoe n PRO 9 Cb 0.54 -2.71 0.71 0.00 -0.02 0.00 0.00 33.50 32.01 1hoe n PRO 9 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1hoe h SER 10 N 3.63 0.00 0.00 2.55 0.02 -2.00 -1.63 113.55 116.12 1hoe h SER 10 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1hoe h SER 10 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1hoe h SER 10 CO 0.70 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.39 1hoe s VAL 12 N -2.00 4.82 0.06 0.00 1.01 -0.62 -1.08 120.40 122.60 1hoe s VAL 12 Ca 0.36 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1hoe s VAL 12 Cb 0.16 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1hoe s VAL 12 CO 0.28 0.05 0.20 0.42 0.00 0.00 0.00 175.10 176.04 1hoe s THR 13 N 1.65 5.29 -0.20 3.92 -4.23 0.10 -4.90 115.64 117.28 1hoe s THR 13 Ca 0.05 -0.44 -0.05 0.00 -1.18 0.00 0.00 61.69 60.07 1hoe s THR 13 Cb -0.17 -3.58 -0.03 0.00 1.34 0.00 0.00 72.50 70.06 1hoe s THR 13 CO 0.08 0.13 0.01 -0.22 -0.54 0.00 0.00 174.62 174.07 1hoe s LEU 14 N -2.51 3.32 -0.08 4.79 2.96 -1.26 -0.84 118.68 125.05 1hoe s LEU 14 Ca 0.34 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 54.13 1hoe s LEU 14 Cb -0.13 -1.84 -0.00 0.00 0.50 0.00 0.00 46.19 44.72 1hoe s LEU 14 CO 0.27 0.08 -0.23 -0.47 -1.32 0.00 0.00 176.35 174.68 1hoe s TYR 15 N 0.90 2.40 -0.08 5.38 5.04 0.59 -4.99 117.35 126.59 1hoe s TYR 15 Ca 0.01 -0.91 -0.00 0.00 -2.44 0.00 0.00 57.07 53.73 1hoe s TYR 15 Cb -0.14 -1.61 0.02 0.00 0.35 0.00 0.00 41.96 40.59 1hoe s TYR 15 CO 0.02 -0.35 -0.04 -1.14 -1.34 0.00 0.00 175.55 172.70 1hoe s GLN 16 N 0.23 1.05 0.12 4.97 0.74 -1.26 0.31 119.66 125.82 1hoe s GLN 16 Ca -0.14 -0.10 0.01 0.00 0.05 0.00 0.00 55.36 55.18 1hoe s GLN 16 Cb -0.17 -1.18 0.01 0.00 1.10 0.00 0.00 33.01 32.77 1hoe s GLN 16 CO 0.07 -0.22 0.10 -1.13 -0.55 0.00 0.00 175.29 173.56 1hoe n SER 17 N 4.73 1.28 0.20 6.67 3.41 0.46 -4.92 113.62 125.44 1hoe n SER 17 Ca -0.14 -1.40 0.04 0.00 -0.26 0.00 0.00 58.87 57.11 1hoe n SER 17 Cb 0.50 -0.02 0.45 0.00 -0.26 0.00 0.00 64.21 64.88 1hoe n SER 17 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1hoe h TRP 18 N 0.48 0.05 0.00 7.33 5.08 -1.96 -1.67 115.95 125.26 1hoe h TRP 18 Ca -0.07 -0.01 -0.09 0.00 1.08 0.00 0.00 58.89 59.80 1hoe h TRP 18 Cb 0.27 -0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 26.40 1hoe h TRP 18 CO 0.00 0.26 -1.69 2.89 -1.28 0.00 0.00 178.44 178.62 1hoe n ARG 19 N -4.26 1.09 -4.33 0.12 1.85 -1.26 -1.75 116.66 108.11 1hoe n ARG 19 Ca -0.02 -0.07 -0.24 0.00 -1.00 0.00 0.00 57.85 56.52 1hoe n ARG 19 Cb 0.29 -1.31 -0.12 0.00 -1.05 0.00 0.00 32.46 30.27 1hoe n ARG 19 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1hoe s TYR 20 N -2.64 1.93 -0.21 2.89 4.12 -1.25 -2.55 117.35 119.63 1hoe s TYR 20 Ca -0.05 -0.42 -0.03 0.00 0.02 0.00 0.00 57.07 56.59 1hoe s TYR 20 Cb 0.06 -1.01 -0.00 0.00 -1.52 0.00 0.00 41.96 39.49 1hoe s TYR 20 CO 0.52 0.30 -0.07 -1.12 0.02 0.00 0.00 175.55 175.20 1hoe s SER 21 N -2.29 4.07 0.03 2.29 0.01 -0.94 -0.40 113.70 116.47 1hoe s SER 21 Ca 0.12 -0.44 0.07 0.00 1.31 0.00 0.00 55.95 57.02 1hoe s SER 21 Cb -0.08 -1.69 -0.03 0.00 0.21 0.00 0.00 66.02 64.43 1hoe s SER 21 CO 0.06 -0.01 -0.19 -1.10 0.41 0.00 0.00 173.24 172.40 1hoe s GLN 22 N 1.42 2.06 -0.18 12.44 -0.21 0.15 -0.54 119.66 134.80 1hoe s GLN 22 Ca 0.05 -0.98 -0.04 0.00 0.02 0.00 0.00 55.36 54.41 1hoe s GLN 22 Cb -0.14 -2.16 -0.02 0.00 1.00 0.00 0.00 33.01 31.69 1hoe s GLN 22 CO -0.05 0.54 -0.04 0.00 -2.12 0.00 0.00 175.29 173.62 1hoe s ALA 23 N -0.89 2.91 -0.27 6.09 0.00 0.14 -0.30 121.76 129.45 1hoe s ALA 23 Ca 0.14 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 1hoe s ALA 23 Cb -0.10 -1.62 0.04 0.00 0.00 0.00 0.00 23.12 21.44 1hoe s ALA 23 CO 0.04 -0.06 -0.04 0.34 0.00 0.00 0.00 175.76 176.04 1hoe s ASP 24 N 0.84 4.60 -0.57 0.00 3.68 -0.02 -0.94 116.67 124.26 1hoe s ASP 24 Ca -0.01 -1.16 -0.22 0.00 2.13 0.00 0.00 52.55 53.29 1hoe s ASP 24 Cb -0.15 -1.66 0.06 0.00 -1.45 0.00 0.00 42.92 39.72 1hoe s ASP 24 CO 0.02 -0.20 0.83 0.21 0.13 0.00 0.00 175.17 176.15 1hoe s ASN 25 N 1.25 6.25 -0.17 -0.34 2.47 -0.64 -0.72 114.94 123.04 1hoe s ASN 25 Ca -0.04 -0.76 0.16 0.00 0.42 0.00 0.00 52.86 52.63 1hoe s ASN 25 Cb -0.19 -2.38 0.67 0.00 -1.45 0.00 0.00 41.25 37.91 1hoe s ASN 25 CO -0.03 -1.16 1.58 0.61 -3.72 0.00 0.00 177.10 174.38 1hoe n GLY 26 N 5.20 3.22 3.97 1.21 0.00 -0.24 -0.25 105.19 118.30 1hoe n GLY 26 Ca -0.03 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 1hoe n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hoe n ALA 28 N -2.78 3.18 -2.41 0.00 0.00 -1.26 -4.57 120.51 112.68 1hoe n ALA 28 Ca 0.12 -0.29 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 1hoe n ALA 28 Cb 0.60 -1.22 -0.10 0.00 0.00 0.00 0.00 19.45 18.73 1hoe n ALA 28 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1hoe s GLU 29 N -2.92 1.50 0.12 0.00 1.03 -1.26 -4.90 118.70 112.27 1hoe s GLU 29 Ca 0.14 -1.73 -0.31 0.00 0.03 0.00 0.00 54.97 53.10 1hoe s GLU 29 Cb 0.18 -1.15 -0.08 0.00 -0.80 0.00 0.00 34.13 32.28 1hoe s GLU 29 CO 0.63 0.08 1.42 0.99 -1.33 0.00 0.00 175.26 177.05 1hoe s THR 30 N -3.00 3.18 0.14 1.83 2.01 -1.26 -4.34 115.64 114.20 1hoe s THR 30 Ca 0.28 0.85 0.06 0.00 0.31 0.00 0.00 61.69 63.19 1hoe s THR 30 Cb 0.02 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 1hoe s THR 30 CO 0.11 0.07 0.01 0.68 -0.69 0.00 0.00 174.62 174.80 1hoe s VAL 31 N 1.09 3.91 -0.33 3.82 -7.23 -0.85 -4.93 120.40 115.88 1hoe s VAL 31 Ca 0.65 -1.22 -0.03 0.00 -1.81 0.00 0.00 61.98 59.57 1hoe s VAL 31 Cb -0.38 -2.93 0.06 0.00 0.56 0.00 0.00 36.38 33.69 1hoe s VAL 31 CO 0.31 -0.02 0.06 -0.89 -0.31 0.00 0.00 175.10 174.24 1hoe s THR 32 N -1.56 3.23 0.28 5.32 2.01 -1.26 -0.45 115.64 123.20 1hoe s THR 32 Ca 0.27 -1.42 0.11 0.00 0.31 0.00 0.00 61.69 60.96 1hoe s THR 32 Cb -0.10 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 1hoe s THR 32 CO 0.19 -0.21 -0.14 0.68 -0.69 0.00 0.00 174.62 174.45 1hoe s VAL 33 N 1.27 2.78 0.01 3.82 -7.23 -0.37 -0.58 120.40 120.10 1hoe s VAL 33 Ca -0.02 -2.25 -0.02 0.00 -1.81 0.00 0.00 61.98 57.88 1hoe s VAL 33 Cb -0.20 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 1hoe s VAL 33 CO -0.01 -0.39 0.02 -1.59 -0.31 0.00 0.00 175.10 172.82 1hoe s LYS 34 N -3.56 0.33 0.13 4.82 -2.85 -0.30 -1.03 119.74 117.27 1hoe s LYS 34 Ca 0.31 -0.50 -0.28 0.00 -1.00 0.00 0.00 55.97 54.50 1hoe s LYS 34 Cb -0.05 0.12 -0.07 0.00 -2.06 0.00 0.00 37.83 35.77 1hoe s LYS 34 CO 0.17 -0.06 0.87 0.08 0.10 0.00 0.00 175.35 176.51 1hoe s VAL 35 N -1.31 4.45 -0.27 1.79 1.01 -1.26 0.09 120.40 124.90 1hoe s VAL 35 Ca -0.14 1.89 -0.07 0.00 0.00 0.00 0.00 61.98 63.66 1hoe s VAL 35 Cb -0.09 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 1hoe s VAL 35 CO -0.00 0.40 0.07 -0.69 0.00 0.00 0.00 175.10 174.88 1hoe s VAL 36 N -0.45 4.05 0.63 2.92 1.01 -0.40 -0.47 120.40 127.69 1hoe s VAL 36 Ca 0.42 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 1hoe s VAL 36 Cb -0.23 -3.00 0.04 0.00 0.00 0.00 0.00 36.38 33.19 1hoe s VAL 36 CO 0.28 0.20 0.92 -0.31 0.00 0.00 0.00 175.10 176.19 1hoe s TYR 37 N 1.54 3.03 0.30 5.22 1.51 0.27 -0.06 117.35 129.17 1hoe s TYR 37 Ca 0.04 0.42 0.06 0.00 -1.01 0.00 0.00 57.07 56.58 1hoe s TYR 37 Cb -0.16 -2.93 0.76 0.00 -0.11 0.00 0.00 41.96 39.52 1hoe s TYR 37 CO 0.02 -1.08 1.75 0.93 -1.11 0.00 0.00 175.55 176.07 1hoe h GLU 38 N -0.30 0.64 -0.84 -0.62 4.39 -0.55 -0.96 114.58 116.33 1hoe h GLU 38 Ca -0.44 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1hoe h GLU 38 Cb 1.29 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1hoe h GLU 38 CO 0.59 0.42 0.00 -0.40 -1.16 0.00 0.00 179.01 178.46 1hoe n ASP 39 N -4.84 0.84 -2.96 1.42 5.68 -1.24 -4.67 116.55 110.77 1hoe n ASP 39 Ca 0.24 -1.92 -0.13 0.00 -0.50 0.00 0.00 54.79 52.48 1hoe n ASP 39 Cb 0.62 -0.42 -0.02 0.00 -1.14 0.00 0.00 41.12 40.15 1hoe n ASP 39 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1hoe n ASP 40 N -0.05 -1.16 -4.91 -1.12 5.75 -0.37 -4.98 116.55 109.73 1hoe n ASP 40 Ca 0.00 -0.07 -0.28 0.00 -0.01 0.00 0.00 54.79 54.44 1hoe n ASP 40 Cb 0.21 -1.09 0.02 0.00 -1.03 0.00 0.00 41.12 39.23 1hoe n ASP 40 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1hoe s THR 41 N -2.22 4.10 0.14 2.12 -4.23 -1.26 -4.82 115.64 109.47 1hoe s THR 41 Ca 0.25 0.20 0.07 0.00 -1.18 0.00 0.00 61.69 61.03 1hoe s THR 41 Cb -0.15 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 1hoe s THR 41 CO 0.31 -0.66 -0.15 -1.61 -0.54 0.00 0.00 174.62 171.96 1hoe s GLU 42 N -4.98 1.11 0.21 3.99 2.02 -1.26 -0.56 118.70 119.23 1hoe s GLU 42 Ca 0.53 -1.30 -0.02 0.00 0.02 0.00 0.00 54.97 54.20 1hoe s GLU 42 Cb -0.11 -1.04 0.04 0.00 0.10 0.00 0.00 34.13 33.13 1hoe s GLU 42 CO 0.47 0.20 0.29 0.41 0.02 0.00 0.00 175.26 176.65 1hoe n GLY 43 N 0.44 0.05 3.74 -1.39 0.00 0.38 -4.97 105.19 103.44 1hoe n GLY 43 Ca -0.15 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 1hoe n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hoe s LEU 44 N 0.00 2.07 -0.08 0.99 1.43 -1.26 -4.64 118.68 117.19 1hoe s LEU 44 Ca 0.18 1.23 -0.13 0.00 -1.03 0.00 0.00 54.13 54.38 1hoe s LEU 44 Cb -0.01 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.57 1hoe s LEU 44 CO 0.12 -2.63 0.32 0.00 0.23 0.00 0.00 176.35 174.39 1hoe s TYR 46 N -0.56 1.82 -0.18 0.00 1.51 -0.19 -4.92 117.35 114.83 1hoe s TYR 46 Ca 0.20 -0.35 -0.20 0.00 -1.01 0.00 0.00 57.07 55.71 1hoe s TYR 46 Cb -0.14 -1.17 -0.03 0.00 -0.11 0.00 0.00 41.96 40.50 1hoe s TYR 46 CO 0.08 -0.03 0.60 0.00 -1.11 0.00 0.00 175.55 175.09 1hoe s ALA 47 N -0.47 3.52 -0.31 3.71 0.00 -1.26 -1.24 121.76 125.71 1hoe s ALA 47 Ca 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 1hoe s ALA 47 Cb -0.08 -2.92 0.06 0.00 0.00 0.00 0.00 23.12 20.19 1hoe s ALA 47 CO -0.01 -0.45 0.01 0.08 0.00 0.00 0.00 175.76 175.39 1hoe s VAL 48 N 1.67 2.87 0.59 0.00 1.01 0.40 -5.00 120.40 121.94 1hoe s VAL 48 Ca 0.28 -1.54 -0.19 0.00 0.00 0.00 0.00 61.98 60.53 1hoe s VAL 48 Cb -0.16 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1hoe s VAL 48 CO 0.11 -0.19 1.22 0.00 0.00 0.00 0.00 175.10 176.24 1hoe s ALA 49 N 1.20 2.57 0.35 5.51 0.00 -1.26 -2.00 121.76 128.13 1hoe s ALA 49 Ca -0.03 1.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 1hoe s ALA 49 Cb -0.20 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.35 1hoe s ALA 49 CO -0.02 -1.16 1.48 -2.30 0.00 0.00 0.00 175.76 173.75 1hoe n PRO 50 N -1.53 2.58 -1.02 0.00 -0.02 -1.26 -1.96 135.00 131.79 1hoe n PRO 50 Ca 0.13 0.91 -0.01 0.00 -2.02 0.00 0.00 63.50 62.51 1hoe n PRO 50 Cb 0.49 -2.63 -0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1hoe n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hoe n GLY 51 N 0.91 0.47 3.44 -1.23 0.00 0.66 -5.03 105.19 104.41 1hoe n GLY 51 Ca 0.04 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1hoe n GLY 51 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1hoe s GLN 52 N -0.79 2.49 -0.20 1.61 2.00 -0.83 -4.96 119.66 118.98 1hoe s GLN 52 Ca 0.00 -0.73 -0.05 0.00 -2.00 0.00 0.00 55.36 52.58 1hoe s GLN 52 Cb 0.00 -2.34 -0.02 0.00 0.80 0.00 0.00 33.01 31.45 1hoe s GLN 52 CO 0.00 0.59 -0.01 -1.50 -0.50 0.00 0.00 175.29 173.86 1hoe s ILE 53 N -0.64 3.85 -0.01 -2.34 2.07 -1.26 -1.63 121.20 121.24 1hoe s ILE 53 Ca 0.10 -0.35 0.03 0.00 -1.41 0.00 0.00 60.65 59.02 1hoe s ILE 53 Cb -0.11 -2.73 -0.01 0.00 0.13 0.00 0.00 42.46 39.74 1hoe s ILE 53 CO 0.01 0.43 -0.10 -0.89 -1.91 0.00 0.00 174.94 172.48 1hoe s THR 54 N 0.99 0.80 -0.20 4.00 2.01 -0.12 -4.97 115.64 118.16 1hoe s THR 54 Ca 0.01 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.27 1hoe s THR 54 Cb -0.14 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.69 1hoe s THR 54 CO 0.01 0.21 1.12 -0.89 -0.69 0.00 0.00 174.62 174.38 1hoe s THR 55 N -0.26 4.54 0.00 -0.82 2.01 -1.26 0.28 115.64 120.13 1hoe s THR 55 Ca 0.04 1.86 0.00 0.00 0.31 0.00 0.00 61.69 63.90 1hoe s THR 55 Cb -0.04 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.27 1hoe s THR 55 CO -0.00 -0.15 0.65 1.33 -0.69 0.00 0.00 174.62 175.75 1hoe n VAL 56 N 5.28 0.31 -3.46 3.82 0.24 0.30 -4.94 118.33 119.89 1hoe n VAL 56 Ca 0.12 -0.65 -0.01 0.00 -2.04 0.00 0.00 64.34 61.77 1hoe n VAL 56 Cb 0.46 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.69 1hoe n VAL 56 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hoe n GLY 57 N -0.15 1.28 3.82 7.63 0.00 -1.07 -4.66 105.19 112.04 1hoe n GLY 57 Ca 0.00 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 1hoe n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hoe s ASP 58 N -1.42 6.29 0.80 1.61 -0.00 -1.26 -2.22 116.67 120.47 1hoe s ASP 58 Ca 0.04 1.71 -0.11 0.00 -0.00 0.00 0.00 52.55 54.19 1hoe s ASP 58 Cb -0.01 -2.53 0.08 0.00 -0.00 0.00 0.00 42.92 40.47 1hoe s ASP 58 CO 0.01 -0.81 1.16 -0.83 -0.00 0.00 0.00 175.17 174.70 1hoe s GLY 59 N -2.77 1.60 0.00 0.21 0.00 -1.06 -3.34 107.32 101.97 1hoe s GLY 59 Ca 0.62 -0.69 0.17 0.00 0.00 0.00 0.00 44.72 44.82 1hoe s GLY 59 CO 0.31 -0.20 1.48 1.58 0.00 0.00 0.00 173.10 176.26 1hoe n TYR 60 N -3.28 0.00 0.34 1.90 0.18 -0.63 -1.86 117.16 113.82 1hoe n TYR 60 Ca 0.08 0.00 0.14 0.00 1.88 0.00 0.00 57.90 60.00 1hoe n TYR 60 Cb 0.61 0.00 0.40 0.00 -0.38 0.00 0.00 39.34 39.97 1hoe n TYR 60 CO 0.00 0.00 0.00 0.97 -2.08 0.00 0.00 176.86 175.75 1hoe h ILE 61 N 0.00 0.00 -4.32 -3.48 2.10 -1.61 -3.42 117.51 106.78 1hoe h ILE 61 Ca 0.00 -0.66 -0.51 0.00 1.08 0.00 0.00 64.86 64.76 1hoe h ILE 61 Cb 0.00 1.63 0.12 0.00 -1.09 0.00 0.00 36.82 37.47 1hoe h ILE 61 CO 0.00 0.00 0.34 -0.83 -1.08 0.00 0.00 178.15 176.58 1hoe s GLY 62 N -3.99 1.68 0.25 8.18 0.00 -0.78 -4.93 107.32 107.74 1hoe s GLY 62 Ca 0.06 0.20 0.24 0.00 0.00 0.00 0.00 44.72 45.22 1hoe s GLY 62 CO 0.59 0.54 1.72 -1.14 0.00 0.00 0.00 173.10 174.80 1hoe n SER 63 N -3.34 0.68 0.05 1.64 3.41 -1.26 -1.21 113.62 113.58 1hoe n SER 63 Ca 0.08 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.48 1hoe n SER 63 Cb 0.53 -0.80 0.46 0.00 -0.26 0.00 0.00 64.21 64.14 1hoe n SER 63 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1hoe n HIS 64 N -2.23 0.41 -4.11 7.33 8.25 -1.26 -4.96 115.22 118.65 1hoe n HIS 64 Ca 0.03 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1hoe n HIS 64 Cb 0.26 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.71 1hoe n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hoe n GLY 65 N 1.41 0.04 3.75 -1.41 0.00 -0.35 -3.48 105.19 105.16 1hoe n GLY 65 Ca 0.06 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 1hoe n GLY 65 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hoe s HIS 66 N 0.00 3.75 -0.10 1.61 3.76 -1.26 -4.36 115.29 118.69 1hoe s HIS 66 Ca 0.00 1.76 -0.29 0.00 -0.15 0.00 0.00 55.06 56.38 1hoe s HIS 66 Cb 0.00 -3.15 -0.01 0.00 1.11 0.00 0.00 32.58 30.53 1hoe s HIS 66 CO 0.00 -0.12 0.99 0.00 -0.85 0.00 0.00 174.74 174.76 1hoe s ALA 67 N -0.76 3.40 -0.07 -1.40 0.00 -1.26 -0.12 121.76 121.56 1hoe s ALA 67 Ca 0.45 0.36 -0.14 0.00 0.00 0.00 0.00 51.96 52.63 1hoe s ALA 67 Cb -0.28 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.32 1hoe s ALA 67 CO 0.35 -0.59 0.55 0.00 0.00 0.00 0.00 175.76 176.07 1hoe h ARG 68 N 7.09 -0.23 -3.11 0.00 3.08 -0.73 -3.47 114.38 117.01 1hoe h ARG 68 Ca -0.31 0.02 0.04 0.00 0.07 0.00 0.00 59.98 59.79 1hoe h ARG 68 Cb 1.15 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.20 1hoe h ARG 68 CO 0.85 0.06 0.18 1.52 -1.07 0.00 0.00 179.97 181.51 1hoe s TYR 69 N -2.77 -0.06 -0.19 3.04 1.13 -1.17 -5.03 117.35 112.30 1hoe s TYR 69 Ca -0.08 -0.40 -0.14 0.00 -1.41 0.00 0.00 57.07 55.04 1hoe s TYR 69 Cb 0.00 0.64 -0.04 0.00 -1.10 0.00 0.00 41.96 41.45 1hoe s TYR 69 CO 0.29 -1.23 0.31 -0.51 -2.51 0.00 0.00 175.55 171.90 1hoe s LEU 70 N -2.95 4.19 0.34 -3.49 1.43 -1.26 -1.28 118.68 115.65 1hoe s LEU 70 Ca 0.13 0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.65 1hoe s LEU 70 Cb -0.05 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 1hoe s LEU 70 CO 0.08 0.03 0.57 0.00 0.23 0.00 0.00 176.35 177.26 1hoe s ALA 71 N 0.90 3.64 0.26 4.21 0.00 0.11 -0.65 121.76 130.23 1hoe s ALA 71 Ca 0.16 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 1hoe s ALA 71 Cb -0.14 -2.23 -0.09 0.00 0.00 0.00 0.00 23.12 20.66 1hoe s ALA 71 CO 0.05 0.05 1.03 0.50 0.00 0.00 0.00 175.76 177.40 1hoe s ARG 72 N -4.06 4.73 -0.18 0.00 3.52 0.86 -1.16 118.95 122.67 1hoe s ARG 72 Ca 0.42 1.67 -0.08 0.00 -0.13 0.00 0.00 55.73 57.61 1hoe s ARG 72 Cb -0.10 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 30.01 1hoe s ARG 72 CO 0.35 0.33 0.11 0.00 -0.81 0.00 0.00 175.30 175.28