#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h3h s ARG 17 N 0.00 3.08 -0.63 1.61 0.52 -1.26 -5.02 118.95 117.24 1h3h s ARG 17 Ca 0.00 -2.32 -0.22 0.00 -0.52 0.00 0.00 55.73 52.67 1h3h s ARG 17 Cb 0.00 -4.14 0.07 0.00 0.52 0.00 0.00 34.95 31.40 1h3h s ARG 17 CO 0.00 -1.24 0.92 0.14 0.02 0.00 0.00 175.30 175.13 1h3h s VAL 18 N 0.39 4.41 -0.30 3.52 -7.23 -1.26 -4.80 120.40 115.12 1h3h s VAL 18 Ca 0.15 -0.32 0.19 0.00 -1.81 0.00 0.00 61.98 60.19 1h3h s VAL 18 Cb -0.17 -4.62 0.47 0.00 0.56 0.00 0.00 36.38 32.62 1h3h s VAL 18 CO -0.05 -1.34 1.07 -2.11 -0.31 0.00 0.00 175.10 172.36 1h3h n ARG 19 N 7.47 1.39 -4.03 4.82 1.85 -1.26 -4.96 116.66 121.94 1h3h n ARG 19 Ca -0.04 -3.16 -0.08 0.00 -1.00 0.00 0.00 57.85 53.57 1h3h n ARG 19 Cb 0.45 -1.23 -0.10 0.00 -1.05 0.00 0.00 32.46 30.53 1h3h n ARG 19 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1h3h s TRP 20 N -3.03 0.39 -0.32 2.89 0.52 -1.26 -0.41 118.94 117.73 1h3h s TRP 20 Ca 0.26 -0.84 0.02 0.00 0.02 0.00 0.00 56.10 55.56 1h3h s TRP 20 Cb 0.40 -0.29 0.08 0.00 -1.15 0.00 0.00 33.47 32.51 1h3h s TRP 20 CO -0.01 -0.34 0.01 0.00 0.02 0.00 0.00 176.95 176.63 1h3h s ALA 21 N -3.16 2.81 -0.39 0.98 0.00 0.10 -2.45 121.76 119.65 1h3h s ALA 21 Ca -0.00 -2.22 -0.11 0.00 0.00 0.00 0.00 51.96 49.62 1h3h s ALA 21 Cb 0.02 -1.89 0.04 0.00 0.00 0.00 0.00 23.12 21.29 1h3h s ALA 21 CO -0.07 -1.51 0.23 0.50 0.00 0.00 0.00 175.76 174.91 1h3h s ARG 22 N 1.02 2.80 -0.26 0.00 3.52 -0.12 -0.68 118.95 125.23 1h3h s ARG 22 Ca 0.03 -1.15 -0.29 0.00 -0.13 0.00 0.00 55.73 54.19 1h3h s ARG 22 Cb -0.20 -3.78 0.01 0.00 -1.56 0.00 0.00 34.95 29.42 1h3h s ARG 22 CO -0.06 -0.76 1.03 0.00 -0.81 0.00 0.00 175.30 174.70 1h3h s ALA 23 N 1.55 3.62 -0.20 6.12 0.00 -0.41 -2.62 121.76 129.83 1h3h s ALA 23 Ca 0.02 0.08 0.19 0.00 0.00 0.00 0.00 51.96 52.25 1h3h s ALA 23 Cb -0.20 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.34 1h3h s ALA 23 CO 0.06 -1.18 1.07 -0.07 0.00 0.00 0.00 175.76 175.64 1h3h h LEU 24 N 9.64 0.00 -9.34 0.00 3.38 -1.81 0.82 115.31 117.99 1h3h h LEU 24 Ca -0.20 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.23 1h3h h LEU 24 Cb 1.06 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.68 1h3h h LEU 24 CO 0.99 0.31 -0.50 -0.31 0.09 0.00 0.00 178.44 179.02 1h3h s TYR 25 N -3.11 1.77 0.93 1.13 2.02 -1.26 -4.37 117.35 114.46 1h3h s TYR 25 Ca -0.00 -1.38 -0.12 0.00 -0.37 0.00 0.00 57.07 55.20 1h3h s TYR 25 Cb 0.08 -1.06 0.18 0.00 -0.40 0.00 0.00 41.96 40.76 1h3h s TYR 25 CO 0.78 -0.43 0.41 -3.47 -1.57 0.00 0.00 175.55 171.27 1h3h n ASP 26 N -1.39 -2.98 -4.87 2.29 -0.08 -1.26 -3.67 116.55 104.59 1h3h n ASP 26 Ca -0.03 -0.42 -0.33 0.00 -1.51 0.00 0.00 54.79 52.50 1h3h n ASP 26 Cb 0.64 -0.70 -0.05 0.00 2.34 0.00 0.00 41.12 43.35 1h3h n ASP 26 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1h3h s PHE 27 N -1.94 3.47 -1.80 -0.67 -0.71 -1.05 -4.84 117.98 110.44 1h3h s PHE 27 Ca 0.32 0.30 0.21 0.00 -1.04 0.00 0.00 56.93 56.72 1h3h s PHE 27 Cb -0.06 -1.79 0.64 0.00 -1.21 0.00 0.00 43.02 40.60 1h3h s PHE 27 CO 0.27 0.62 1.53 0.39 -1.34 0.00 0.00 175.22 176.69 1h3h n GLU 28 N 0.91 2.86 -2.03 1.99 -0.58 -1.26 -4.91 120.64 117.62 1h3h n GLU 28 Ca -0.11 -2.57 -0.40 0.00 -0.42 0.00 0.00 57.16 53.67 1h3h n GLU 28 Cb 0.52 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 29.74 1h3h n GLU 28 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1h3h s ALA 29 N -1.25 2.37 -0.68 0.62 0.00 -1.26 -4.73 121.76 116.83 1h3h s ALA 29 Ca 0.47 -0.37 0.10 0.00 0.00 0.00 0.00 51.96 52.17 1h3h s ALA 29 Cb 0.26 -4.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.10 1h3h s ALA 29 CO 0.30 -3.52 0.52 1.28 0.00 0.00 0.00 175.76 174.34 1h3h n LEU 30 N 12.04 0.78 -4.97 0.00 4.77 -1.26 -4.86 117.00 123.50 1h3h n LEU 30 Ca 0.21 -0.60 -0.21 0.00 -0.03 0.00 0.00 56.01 55.39 1h3h n LEU 30 Cb 0.51 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1h3h n LEU 30 CO 0.70 0.17 0.11 -1.61 -1.33 0.00 0.00 177.39 175.43 1h3h s GLU 31 N -1.77 3.19 0.03 3.23 0.41 -1.26 -5.04 118.70 117.50 1h3h s GLU 31 Ca 0.06 -0.77 -0.20 0.00 -0.41 0.00 0.00 54.97 53.64 1h3h s GLU 31 Cb 0.08 -2.75 -0.16 0.00 -1.78 0.00 0.00 34.13 29.52 1h3h s GLU 31 CO 0.37 0.05 1.29 1.05 -0.49 0.00 0.00 175.26 177.53 1h3h h GLU 32 N 0.80 0.37 -1.00 1.61 9.09 -2.01 -3.01 114.58 120.43 1h3h h GLU 32 Ca -0.47 -0.23 -0.01 0.00 0.05 0.00 0.00 59.36 58.70 1h3h h GLU 32 Cb 1.25 0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 28.37 1h3h h GLU 32 CO 0.56 0.81 0.01 -0.25 0.05 0.00 0.00 179.01 180.19 1h3h n ASP 33 N -4.49 2.49 -4.57 3.06 9.92 -1.26 -4.81 116.55 116.89 1h3h n ASP 33 Ca -0.07 -2.02 -0.24 0.00 -0.53 0.00 0.00 54.79 51.94 1h3h n ASP 33 Cb 0.42 -0.50 -0.09 0.00 -0.64 0.00 0.00 41.12 40.31 1h3h n ASP 33 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1h3h s GLU 34 N -0.31 2.02 -0.05 -1.24 8.01 -1.14 -1.71 118.70 124.28 1h3h s GLU 34 Ca 0.01 -1.60 0.05 0.00 0.01 0.00 0.00 54.97 53.44 1h3h s GLU 34 Cb 0.01 -1.97 -0.02 0.00 -4.31 0.00 0.00 34.13 27.83 1h3h s GLU 34 CO 0.00 0.33 -0.19 -1.17 0.01 0.00 0.00 175.26 174.24 1h3h s LEU 35 N -3.61 2.48 -0.10 1.80 2.96 0.08 -4.53 118.68 117.75 1h3h s LEU 35 Ca 0.31 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1h3h s LEU 35 Cb -0.05 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 1h3h s LEU 35 CO 0.18 0.32 -0.18 -0.83 -1.32 0.00 0.00 176.35 174.52 1h3h s GLY 36 N -0.58 1.45 0.43 7.98 0.00 -1.26 -4.38 107.32 110.96 1h3h s GLY 36 Ca 0.08 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.88 1h3h s GLY 36 CO 0.01 -0.34 0.08 1.97 0.00 0.00 0.00 173.10 174.81 1h3h n PHE 37 N 3.33 0.61 -4.45 1.90 1.16 -1.26 -5.00 117.46 113.74 1h3h n PHE 37 Ca -0.18 -2.07 -0.23 0.00 -1.87 0.00 0.00 57.45 53.10 1h3h n PHE 37 Cb 0.53 -0.30 -0.09 0.00 -1.61 0.00 0.00 39.48 38.00 1h3h n PHE 37 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1h3h s ARG 38 N -3.62 1.76 0.41 3.97 3.00 -1.26 -2.54 118.95 120.67 1h3h s ARG 38 Ca 0.06 -2.03 -0.26 0.00 0.00 0.00 0.00 55.73 53.50 1h3h s ARG 38 Cb -0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 34.95 34.25 1h3h s ARG 38 CO 0.04 -0.37 1.28 0.45 0.00 0.00 0.00 175.30 176.70 1h3h n SER 39 N -1.00 2.64 -3.62 0.23 2.88 -1.24 -2.81 113.62 110.70 1h3h n SER 39 Ca -0.03 1.13 -0.21 0.00 -1.33 0.00 0.00 58.87 58.42 1h3h n SER 39 Cb 0.66 -1.50 0.06 0.00 -0.75 0.00 0.00 64.21 62.67 1h3h n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1h3h n GLY 40 N 0.79 -0.38 3.06 0.46 0.00 0.29 -4.95 105.19 104.45 1h3h n GLY 40 Ca 0.06 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1h3h n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h3h s GLU 41 N -5.89 1.20 -0.13 1.61 0.41 -1.12 -4.98 118.70 109.80 1h3h s GLU 41 Ca 0.17 -0.42 -0.07 0.00 -0.41 0.00 0.00 54.97 54.23 1h3h s GLU 41 Cb -0.08 -1.10 -0.04 0.00 -1.78 0.00 0.00 34.13 31.13 1h3h s GLU 41 CO 0.77 0.19 0.14 0.08 -0.49 0.00 0.00 175.26 175.95 1h3h s VAL 42 N 0.04 5.50 0.03 2.63 1.01 -1.26 -1.29 120.40 127.06 1h3h s VAL 42 Ca -0.01 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.22 1h3h s VAL 42 Cb -0.09 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1h3h s VAL 42 CO 0.01 0.60 -0.13 -0.69 0.00 0.00 0.00 175.10 174.88 1h3h s VAL 43 N -0.85 1.06 -0.42 2.92 1.01 0.14 -4.79 120.40 119.47 1h3h s VAL 43 Ca 0.14 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 1h3h s VAL 43 Cb -0.12 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1h3h s VAL 43 CO 0.03 0.07 0.67 -0.70 0.00 0.00 0.00 175.10 175.17 1h3h s GLU 44 N -0.93 3.39 0.11 2.72 2.12 -1.06 0.00 118.70 125.05 1h3h s GLU 44 Ca 0.02 -0.23 -0.30 0.00 0.36 0.00 0.00 54.97 54.83 1h3h s GLU 44 Cb -0.07 -3.92 -0.06 0.00 0.26 0.00 0.00 34.13 30.34 1h3h s GLU 44 CO 0.01 -0.97 0.95 0.08 -0.54 0.00 0.00 175.26 174.78 1h3h s VAL 45 N 2.89 4.50 -0.31 3.70 1.01 0.45 -2.28 120.40 130.37 1h3h s VAL 45 Ca 0.24 2.04 0.09 0.00 0.00 0.00 0.00 61.98 64.36 1h3h s VAL 45 Cb -0.14 -4.31 -0.11 0.00 0.00 0.00 0.00 36.38 31.82 1h3h s VAL 45 CO 0.19 0.32 0.33 0.18 0.00 0.00 0.00 175.10 176.12 1h3h n LEU 46 N 2.75 0.30 -2.97 3.92 4.77 -1.08 -4.74 117.00 119.95 1h3h n LEU 46 Ca 0.02 -0.36 -0.16 0.00 -0.03 0.00 0.00 56.01 55.48 1h3h n LEU 46 Cb 0.49 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1h3h n LEU 46 CO 0.51 0.08 -0.04 0.47 -1.33 0.00 0.00 177.39 177.07 1h3h n ASP 47 N -1.38 -1.27 0.00 -1.43 9.92 0.23 -4.94 116.55 117.67 1h3h n ASP 47 Ca 0.01 -3.04 0.10 0.00 -0.53 0.00 0.00 54.79 51.33 1h3h n ASP 47 Cb 0.17 0.59 0.56 0.00 -0.64 0.00 0.00 41.12 41.79 1h3h n ASP 47 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1h3h n SER 48 N 1.37 0.00 -4.62 -2.24 3.41 -1.26 -2.36 113.62 107.92 1h3h n SER 48 Ca 0.15 -0.29 -0.43 0.00 -0.26 0.00 0.00 58.87 58.04 1h3h n SER 48 Cb 0.59 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 1h3h n SER 48 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1h3h s SER 49 N -2.32 6.56 0.00 4.04 0.15 -1.26 -4.85 113.70 116.02 1h3h s SER 49 Ca 0.25 1.14 0.00 0.00 0.70 0.00 0.00 55.95 58.04 1h3h s SER 49 Cb 0.14 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1h3h s SER 49 CO 0.28 -1.19 0.00 0.59 1.20 0.00 0.00 173.24 174.12 1h3h n ASN 50 N 8.02 0.00 -0.90 5.45 3.02 -1.26 -4.87 115.26 124.72 1h3h n ASN 50 Ca 0.16 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.78 1h3h n ASN 50 Cb 0.47 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.85 1h3h n ASN 50 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1h3h n PRO 51 N -0.96 2.14 0.10 3.52 -0.04 -1.26 -4.79 135.00 133.71 1h3h n PRO 51 Ca 0.00 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.73 1h3h n PRO 51 Cb 0.00 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1h3h n PRO 51 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1h3h n SER 52 N 0.89 -1.83 -4.59 3.54 7.64 -1.26 -5.04 113.62 112.98 1h3h n SER 52 Ca 0.16 0.66 -0.39 0.00 1.01 0.00 0.00 58.87 60.31 1h3h n SER 52 Cb 0.41 1.97 -0.10 0.00 -1.01 0.00 0.00 64.21 65.48 1h3h n SER 52 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1h3h s TRP 53 N -1.94 3.23 0.05 1.43 0.52 -1.26 -1.35 118.94 119.62 1h3h s TRP 53 Ca 0.00 0.23 0.05 0.00 0.02 0.00 0.00 56.10 56.40 1h3h s TRP 53 Cb 0.00 -2.54 -0.04 0.00 -1.15 0.00 0.00 33.47 29.75 1h3h s TRP 53 CO 0.00 -0.25 -0.09 -1.58 0.02 0.00 0.00 176.95 175.05 1h3h s TRP 54 N 1.96 2.80 -0.32 -1.98 0.51 -1.15 -4.71 118.94 116.06 1h3h s TRP 54 Ca 0.12 -0.11 -0.19 0.00 -2.12 0.00 0.00 56.10 53.79 1h3h s TRP 54 Cb -0.16 -1.53 -0.01 0.00 -0.81 0.00 0.00 33.47 30.96 1h3h s TRP 54 CO 0.11 0.37 0.59 0.99 -0.51 0.00 0.00 176.95 178.50 1h3h s THR 55 N -1.07 4.97 0.22 2.01 2.01 -0.99 -2.09 115.64 120.70 1h3h s THR 55 Ca 0.19 0.68 0.02 0.00 0.31 0.00 0.00 61.69 62.89 1h3h s THR 55 Cb -0.11 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 1h3h s THR 55 CO 0.10 -0.16 0.26 0.61 -0.69 0.00 0.00 174.62 174.74 1h3h n GLY 56 N 4.56 2.83 3.15 4.40 0.00 -1.15 -0.60 105.19 118.37 1h3h n GLY 56 Ca -0.02 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 1h3h n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1h3h s ARG 57 N -2.68 0.31 -0.37 1.61 1.70 -0.97 -1.30 118.95 117.25 1h3h s ARG 57 Ca 0.22 0.37 -0.14 0.00 -0.47 0.00 0.00 55.73 55.71 1h3h s ARG 57 Cb 0.00 0.15 -0.00 0.00 -0.57 0.00 0.00 34.95 34.53 1h3h s ARG 57 CO 0.16 -0.04 0.29 -1.17 -1.08 0.00 0.00 175.30 173.46 1h3h s LEU 58 N 0.14 4.70 0.00 -1.89 0.20 0.57 -2.58 118.68 119.83 1h3h s LEU 58 Ca -0.00 -0.55 0.00 0.00 0.69 0.00 0.00 54.13 54.27 1h3h s LEU 58 Cb -0.02 -2.19 0.00 0.00 -0.43 0.00 0.00 46.19 43.55 1h3h s LEU 58 CO 0.00 -0.34 0.00 0.00 -0.29 0.00 0.00 176.35 175.73 1h3h n HIS 59 N 5.20 0.00 -1.32 5.38 1.44 -1.26 -0.74 115.22 123.91 1h3h n HIS 59 Ca -0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.60 1h3h n HIS 59 Cb 0.49 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.60 1h3h n HIS 59 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1h3h n ASN 60 N 0.00 0.00 -4.44 4.39 5.15 -1.26 -5.07 115.26 114.02 1h3h n ASN 60 Ca 0.00 -1.00 -0.34 0.00 -0.60 0.00 0.00 54.58 52.64 1h3h n ASN 60 Cb 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.12 1h3h n ASN 60 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1h3h s LYS 61 N 0.00 3.59 -0.03 1.20 1.02 0.08 -5.10 119.74 120.49 1h3h s LYS 61 Ca 0.00 -0.54 -0.02 0.00 0.02 0.00 0.00 55.97 55.43 1h3h s LYS 61 Cb 0.00 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 1h3h s LYS 61 CO 0.00 0.06 0.10 -0.51 -0.92 0.00 0.00 175.35 174.08 1h3h s LEU 62 N 0.85 4.03 0.00 3.17 1.02 -1.26 -0.31 118.68 126.18 1h3h s LEU 62 Ca -0.00 0.24 0.00 0.00 0.02 0.00 0.00 54.13 54.39 1h3h s LEU 62 Cb -0.14 -2.25 0.00 0.00 0.02 0.00 0.00 46.19 43.81 1h3h s LEU 62 CO 0.02 0.31 0.00 0.61 0.02 0.00 0.00 176.35 177.30 1h3h n GLY 63 N 1.38 2.55 3.78 -3.19 0.00 -0.42 -4.47 105.19 104.82 1h3h n GLY 63 Ca -0.14 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 1h3h n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h3h s LEU 64 N 0.00 3.46 0.09 0.99 1.43 -0.69 -2.95 118.68 121.00 1h3h s LEU 64 Ca 0.00 1.98 -0.05 0.00 -1.03 0.00 0.00 54.13 55.02 1h3h s LEU 64 Cb 0.00 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.65 1h3h s LEU 64 CO 0.00 -1.47 0.11 0.72 0.23 0.00 0.00 176.35 175.94 1h3h s PHE 65 N -2.30 0.39 -0.55 0.29 -0.12 -0.89 -0.74 117.98 114.07 1h3h s PHE 65 Ca 0.67 -0.85 -0.26 0.00 -0.05 0.00 0.00 56.93 56.43 1h3h s PHE 65 Cb -0.20 -0.22 0.03 0.00 -0.63 0.00 0.00 43.02 42.00 1h3h s PHE 65 CO 0.39 -0.50 1.05 -1.25 -0.05 0.00 0.00 175.22 174.85 1h3h s PRO 66 N -3.92 3.45 0.19 1.99 0.04 -1.26 -2.91 135.00 132.57 1h3h s PRO 66 Ca 0.09 0.03 0.19 0.00 0.04 0.00 0.00 61.00 61.36 1h3h s PRO 66 Cb 0.06 -4.01 0.85 0.00 0.04 0.00 0.00 34.50 31.44 1h3h s PRO 66 CO -0.08 -1.53 1.60 0.00 0.04 0.00 0.00 177.00 177.03 1h3h n ALA 67 N 7.83 1.52 0.09 8.56 0.00 -0.45 -1.65 120.51 136.41 1h3h n ALA 67 Ca 0.05 0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.61 1h3h n ALA 67 Cb 0.48 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 1h3h n ALA 67 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1h3h h ASN 68 N 0.00 0.00 0.15 0.00 -1.24 -1.90 -3.36 115.58 109.23 1h3h h ASN 68 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.72 1h3h h ASN 68 Cb 0.26 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.32 1h3h h ASN 68 CO 0.00 0.34 -1.43 0.22 -1.29 0.00 0.00 177.43 175.28 1h3h h TYR 69 N 0.00 0.58 -3.43 0.67 3.20 -1.70 -3.47 116.97 112.82 1h3h h TYR 69 Ca -0.07 -0.42 -0.59 0.00 3.14 0.00 0.00 58.73 60.78 1h3h h TYR 69 Cb 1.32 -0.02 -0.19 0.00 1.54 0.00 0.00 36.73 39.38 1h3h h TYR 69 CO 0.00 1.55 -0.81 0.14 -1.64 0.00 0.00 178.16 177.40 1h3h s VAL 70 N -2.51 2.04 0.17 1.81 -7.23 -0.99 -4.59 120.40 109.10 1h3h s VAL 70 Ca -0.17 -1.88 0.11 0.00 -1.81 0.00 0.00 61.98 58.23 1h3h s VAL 70 Cb 0.04 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 1h3h s VAL 70 CO 0.81 -0.16 -0.23 0.00 -0.31 0.00 0.00 175.10 175.21 1h3h s ALA 71 N -1.66 2.53 1.32 1.32 0.00 -1.08 -4.55 121.76 119.65 1h3h s ALA 71 Ca 0.16 -1.55 -0.20 0.00 0.00 0.00 0.00 51.96 50.37 1h3h s ALA 71 Cb -0.08 -0.40 0.31 0.00 0.00 0.00 0.00 23.12 22.94 1h3h s ALA 71 CO 0.07 0.48 0.69 -2.30 0.00 0.00 0.00 175.76 174.70 1h3h n PRO 72 N 0.50 -3.79 -3.37 0.00 -0.02 -1.03 -0.94 135.00 126.35 1h3h n PRO 72 Ca -0.14 -1.16 -0.15 0.00 -2.02 0.00 0.00 63.50 60.03 1h3h n PRO 72 Cb 0.55 -1.64 -0.09 0.00 -0.02 0.00 0.00 33.50 32.30 1h3h n PRO 72 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1h3h s MET 73 N -4.49 0.35 -0.45 -0.52 1.75 -1.26 -4.62 119.30 110.05 1h3h s MET 73 Ca 0.53 -0.06 -0.28 0.00 -1.25 0.00 0.00 55.69 54.63 1h3h s MET 73 Cb -0.09 -0.56 -0.01 0.00 2.84 0.00 0.00 34.83 37.01 1h3h s MET 73 CO 0.45 -1.03 1.64 1.41 -0.65 0.00 0.00 175.02 176.84 1h3h s MET 74 N 2.41 3.24 0.00 4.11 1.75 -1.26 -4.87 119.30 124.69 1h3h s MET 74 Ca 0.09 0.95 0.06 0.00 -1.25 0.00 0.00 55.69 55.54 1h3h s MET 74 Cb -0.13 -4.18 0.35 0.00 2.84 0.00 0.00 34.83 33.70 1h3h s MET 74 CO -0.32 -1.98 0.81 0.54 -0.65 0.00 0.00 175.02 173.42