#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u5m s VAL 2 N 0.00 2.38 -0.25 -3.48 -7.23 -1.26 -5.10 120.40 105.46 1u5m s VAL 2 Ca 0.00 -0.95 -0.02 0.00 -1.81 0.00 0.00 61.98 59.20 1u5m s VAL 2 Cb 0.00 -1.90 0.08 0.00 0.56 0.00 0.00 36.38 35.12 1u5m s VAL 2 CO 0.00 0.57 0.06 -1.61 -0.31 0.00 0.00 175.10 173.81 1u5m s GLU 3 N -0.19 0.74 -0.14 4.82 2.02 -1.26 -4.97 118.70 119.73 1u5m s GLU 3 Ca -0.02 -0.75 -0.02 0.00 0.02 0.00 0.00 54.97 54.20 1u5m s GLU 3 Cb -0.14 -2.05 0.01 0.00 0.10 0.00 0.00 34.13 32.06 1u5m s GLU 3 CO 0.03 -0.80 0.04 0.34 0.02 0.00 0.00 175.26 174.89 1u5m n PHE 4 N 4.94 -2.10 -3.87 1.61 -0.00 -1.26 -4.96 117.46 111.83 1u5m n PHE 4 Ca -0.06 1.02 -0.36 0.00 -0.00 0.00 0.00 57.45 58.06 1u5m n PHE 4 Cb 0.44 -2.51 -0.13 0.00 -0.00 0.00 0.00 39.48 37.28 1u5m n PHE 4 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1u5m s GLN 5 N -1.03 2.85 -0.78 -4.13 -0.21 -1.26 -5.05 119.66 110.05 1u5m s GLN 5 Ca -0.04 -0.99 -0.25 0.00 0.02 0.00 0.00 55.36 54.09 1u5m s GLN 5 Cb 0.00 -3.18 0.04 0.00 1.00 0.00 0.00 33.01 30.87 1u5m s GLN 5 CO 0.40 -0.47 1.26 -1.21 -2.12 0.00 0.00 175.29 173.15 1u5m s GLU 6 N 1.38 3.26 0.26 2.91 2.02 -1.26 -4.48 118.70 122.79 1u5m s GLU 6 Ca 0.00 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.48 1u5m s GLU 6 Cb -0.17 -4.41 0.00 0.00 0.10 0.00 0.00 34.13 29.65 1u5m s GLU 6 CO -0.01 -2.10 0.00 0.00 0.02 0.00 0.00 175.26 173.16 1u5m n ALA 7 N 8.99 2.15 0.00 5.21 0.00 -1.26 -5.09 120.51 130.51 1u5m n ALA 7 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1u5m n ALA 7 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1u5m n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u5m n GLY 8 N 0.65 2.04 3.50 0.00 0.00 -1.26 -5.00 105.19 105.12 1u5m n GLY 8 Ca 0.00 -0.52 -0.51 0.00 0.00 0.00 0.00 46.02 44.99 1u5m n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u5m n SER 9 N 4.14 0.12 -4.58 1.61 2.88 -1.26 -4.62 113.62 111.90 1u5m n SER 9 Ca 0.00 1.15 -0.34 0.00 -1.33 0.00 0.00 58.87 58.35 1u5m n SER 9 Cb 0.00 -1.05 -0.11 0.00 -0.75 0.00 0.00 64.21 62.30 1u5m n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u5m s VAL 11 N -0.81 5.11 -0.30 0.00 1.01 -1.26 -1.98 120.40 122.17 1u5m s VAL 11 Ca 0.12 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1u5m s VAL 11 Cb -0.11 -3.98 0.09 0.00 0.00 0.00 0.00 36.38 32.38 1u5m s VAL 11 CO 0.01 -0.33 0.03 -1.58 0.00 0.00 0.00 175.10 173.24 1u5m s GLN 12 N 2.10 1.34 -0.59 2.72 -0.44 -0.39 -4.68 119.66 119.71 1u5m s GLN 12 Ca 0.12 -1.41 0.00 0.00 -2.50 0.00 0.00 55.36 51.57 1u5m s GLN 12 Cb -0.17 -2.70 0.00 0.00 -1.64 0.00 0.00 33.01 28.50 1u5m s GLN 12 CO 0.13 -0.85 0.00 -0.25 0.50 0.00 0.00 175.29 174.82 1u5m n ASP 13 N 4.53 -5.33 -0.01 6.67 8.00 -1.26 -1.30 116.55 127.85 1u5m n ASP 13 Ca -0.03 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1u5m n ASP 13 Cb 0.42 -3.32 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 1u5m n ASP 13 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u5m n GLY 14 N -0.10 1.62 2.94 0.44 0.00 -1.26 -5.10 105.19 103.74 1u5m n GLY 14 Ca -0.06 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1u5m n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u5m s GLN 15 N -1.40 1.28 -0.32 1.61 -0.21 -0.42 -5.11 119.66 115.09 1u5m s GLN 15 Ca 0.00 -0.24 -0.27 0.00 0.02 0.00 0.00 55.36 54.88 1u5m s GLN 15 Cb 0.00 -1.20 0.01 0.00 1.00 0.00 0.00 33.01 32.82 1u5m s GLN 15 CO 0.00 -0.09 0.95 -0.98 -2.12 0.00 0.00 175.29 173.05 1u5m s ARG 16 N 1.03 4.01 0.04 2.91 3.03 -1.25 -1.26 118.95 127.45 1u5m s ARG 16 Ca -0.09 0.84 0.09 0.00 2.03 0.00 0.00 55.73 58.60 1u5m s ARG 16 Cb -0.14 -3.74 -0.03 0.00 -1.03 0.00 0.00 34.95 30.01 1u5m s ARG 16 CO -0.00 -0.82 -0.24 0.71 -1.13 0.00 0.00 175.30 173.81 1u5m s TYR 17 N 3.36 2.38 0.08 5.89 2.02 -0.84 -4.90 117.35 125.35 1u5m s TYR 17 Ca 0.40 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.71 1u5m s TYR 17 Cb -0.13 -1.42 0.02 0.00 -0.40 0.00 0.00 41.96 40.03 1u5m s TYR 17 CO 0.14 0.15 0.04 -1.71 -1.57 0.00 0.00 175.55 172.60 1u5m n ASN 18 N 1.77 -1.61 -0.01 2.29 2.85 -1.26 -2.42 115.26 116.87 1u5m n ASN 18 Ca -0.17 -0.04 -0.01 0.00 -0.11 0.00 0.00 54.58 54.25 1u5m n ASN 18 Cb 0.52 -0.06 -0.00 0.00 1.24 0.00 0.00 39.78 41.48 1u5m n ASN 18 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1u5m h ASP 19 N -1.83 0.00 0.02 1.20 3.32 -1.86 -3.36 116.42 113.91 1u5m h ASP 19 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1u5m h ASP 19 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1u5m h ASP 19 CO 0.01 0.13 0.00 0.50 -1.72 0.00 0.00 179.24 178.16 1u5m h LYS 20 N -0.19 0.00 -6.58 3.56 3.64 -1.95 -3.06 116.57 111.99 1u5m h LYS 20 Ca 0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 1u5m h LYS 20 Cb 0.07 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 31.94 1u5m h LYS 20 CO 0.00 0.00 1.04 -0.25 -2.27 0.00 0.00 179.45 177.97 1u5m n ASP 21 N -2.45 3.94 -4.67 4.20 9.92 -1.26 -4.89 116.55 121.34 1u5m n ASP 21 Ca -0.02 1.03 -0.25 0.00 -0.53 0.00 0.00 54.79 55.02 1u5m n ASP 21 Cb 0.05 -1.55 -0.07 0.00 -0.64 0.00 0.00 41.12 38.91 1u5m n ASP 21 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1u5m s VAL 22 N 1.82 3.71 -0.03 2.53 0.11 -1.26 -3.22 120.40 124.05 1u5m s VAL 22 Ca 0.78 -1.55 -0.15 0.00 -2.93 0.00 0.00 61.98 58.13 1u5m s VAL 22 Cb -0.51 -2.91 0.03 0.00 -1.53 0.00 0.00 36.38 31.46 1u5m s VAL 22 CO 0.35 -0.20 0.33 -1.66 -3.33 0.00 0.00 175.10 170.59 1u5m s TRP 23 N -1.92 -0.23 -0.44 1.54 -2.14 -0.86 -5.03 118.94 109.86 1u5m s TRP 23 Ca 0.29 0.41 -0.07 0.00 2.66 0.00 0.00 56.10 59.38 1u5m s TRP 23 Cb -0.08 0.12 0.11 0.00 -3.10 0.00 0.00 33.47 30.51 1u5m s TRP 23 CO 0.19 -0.37 0.28 0.21 -2.66 0.00 0.00 176.95 174.60 1u5m s LYS 24 N -1.09 2.37 0.09 3.25 2.36 -1.26 -2.58 119.74 122.87 1u5m s LYS 24 Ca -0.11 -1.70 -0.13 0.00 -2.55 0.00 0.00 55.97 51.48 1u5m s LYS 24 Cb -0.05 -3.78 -0.19 0.00 -1.05 0.00 0.00 37.83 32.77 1u5m s LYS 24 CO 0.04 -1.09 1.24 -1.00 1.55 0.00 0.00 175.35 176.09 1u5m h PRO 25 N 8.31 0.71 -3.80 4.03 0.13 -1.91 -3.46 132.00 136.02 1u5m h PRO 25 Ca -0.19 -0.70 -0.17 0.00 -0.87 0.00 0.00 66.00 64.07 1u5m h PRO 25 Cb 1.07 0.18 -0.22 0.00 0.13 0.00 0.00 31.00 32.16 1u5m h PRO 25 CO 0.78 1.29 -0.63 -1.21 -0.23 0.00 0.00 178.00 177.99 1u5m s GLU 26 N -3.47 0.33 -0.36 0.86 2.02 -1.13 -5.04 118.70 111.91 1u5m s GLU 26 Ca -0.10 -0.46 -0.05 0.00 0.02 0.00 0.00 54.97 54.38 1u5m s GLU 26 Cb 0.08 0.13 -0.16 0.00 0.10 0.00 0.00 34.13 34.27 1u5m s GLU 26 CO 0.91 -0.06 2.73 -0.35 0.02 0.00 0.00 175.26 178.51 1u5m n PRO 27 N 1.75 1.87 0.00 0.39 -0.04 -1.26 -2.26 135.00 135.45 1u5m n PRO 27 Ca -0.22 -1.05 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1u5m n PRO 27 Cb 0.56 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 1u5m n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u5m s ARG 29 N -0.84 2.19 0.27 0.00 6.06 -0.96 -3.33 118.95 122.35 1u5m s ARG 29 Ca 0.00 -0.68 0.09 0.00 -2.50 0.00 0.00 55.73 52.64 1u5m s ARG 29 Cb 0.00 -1.80 -0.04 0.00 0.06 0.00 0.00 34.95 33.17 1u5m s ARG 29 CO 0.00 0.20 0.08 0.96 -2.50 0.00 0.00 175.30 174.04 1u5m s ILE 30 N 0.22 3.78 -0.09 4.11 -5.25 -1.07 -2.84 121.20 120.07 1u5m s ILE 30 Ca -0.10 -1.71 -0.07 0.00 -0.99 0.00 0.00 60.65 57.78 1u5m s ILE 30 Cb -0.14 -3.06 0.03 0.00 2.95 0.00 0.00 42.46 42.24 1u5m s ILE 30 CO 0.04 -0.35 0.24 0.00 -1.79 0.00 0.00 174.94 173.08 1u5m s VAL 32 N 0.56 -0.03 -0.67 0.00 0.11 -0.66 -2.03 120.40 117.67 1u5m s VAL 32 Ca -0.04 0.09 -0.24 0.00 -2.93 0.00 0.00 61.98 58.87 1u5m s VAL 32 Cb -0.05 -0.23 -0.19 0.00 -1.53 0.00 0.00 36.38 34.38 1u5m s VAL 32 CO -0.03 0.04 1.87 0.00 -3.33 0.00 0.00 175.10 173.65 1u5m s ASP 34 N 5.43 7.17 -1.82 0.00 -1.08 0.21 -3.07 116.67 123.51 1u5m s ASP 34 Ca 0.60 1.57 0.00 0.00 -0.52 0.00 0.00 52.55 54.20 1u5m s ASP 34 Cb 0.14 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1u5m s ASP 34 CO 0.16 -0.53 0.00 0.41 0.52 0.00 0.00 175.17 175.73 1u5m n THR 35 N 4.75 -0.69 -0.35 1.71 -1.04 -1.26 -0.30 114.28 117.10 1u5m n THR 35 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1u5m n THR 35 Cb 0.48 -2.62 0.00 0.00 -1.82 0.00 0.00 70.33 66.37 1u5m n THR 35 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1u5m n GLY 36 N -0.89 2.05 3.85 3.41 0.00 -1.17 -4.98 105.19 107.46 1u5m n GLY 36 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1u5m n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u5m s THR 37 N -3.26 5.17 -0.91 2.61 2.01 0.59 -4.73 115.64 117.13 1u5m s THR 37 Ca 0.00 -0.15 -0.21 0.00 0.31 0.00 0.00 61.69 61.64 1u5m s THR 37 Cb 0.00 -3.34 0.09 0.00 0.01 0.00 0.00 72.50 69.26 1u5m s THR 37 CO 0.00 0.43 1.21 -0.69 -0.69 0.00 0.00 174.62 174.87 1u5m s VAL 38 N -1.18 4.38 -0.16 3.82 1.01 -1.26 0.65 120.40 127.65 1u5m s VAL 38 Ca 0.22 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 1u5m s VAL 38 Cb -0.12 -4.86 -0.04 0.00 0.00 0.00 0.00 36.38 31.36 1u5m s VAL 38 CO 0.12 -1.65 0.04 -0.22 0.00 0.00 0.00 175.10 173.40 1u5m s LEU 39 N 3.73 3.75 -0.19 3.92 2.96 -1.01 -4.92 118.68 126.91 1u5m s LEU 39 Ca 0.35 0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 54.27 1u5m s LEU 39 Cb -0.05 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 1u5m s LEU 39 CO -0.06 0.22 0.10 0.00 -1.32 0.00 0.00 176.35 175.30 1u5m s ASP 41 N 0.39 5.41 0.65 0.00 1.11 -0.43 -4.96 116.67 118.85 1u5m s ASP 41 Ca 0.06 -0.21 -0.11 0.00 0.18 0.00 0.00 52.55 52.47 1u5m s ASP 41 Cb -0.12 -1.37 -0.02 0.00 1.07 0.00 0.00 42.92 42.49 1u5m s ASP 41 CO -0.01 0.04 1.04 -1.81 1.18 0.00 0.00 175.17 175.61 1u5m s ASP 42 N -3.32 5.87 -0.23 0.27 1.11 -1.26 -2.59 116.67 116.51 1u5m s ASP 42 Ca 0.31 1.49 -0.03 0.00 0.18 0.00 0.00 52.55 54.50 1u5m s ASP 42 Cb -0.09 -2.47 0.01 0.00 1.07 0.00 0.00 42.92 41.43 1u5m s ASP 42 CO 0.23 -1.11 -0.05 -0.63 1.18 0.00 0.00 175.17 174.79 1u5m s ILE 43 N -3.13 3.20 -0.53 0.77 1.01 -1.21 -4.84 121.20 116.47 1u5m s ILE 43 Ca 0.56 -0.70 -0.25 0.00 0.00 0.00 0.00 60.65 60.27 1u5m s ILE 43 Cb -0.12 -2.52 0.04 0.00 0.01 0.00 0.00 42.46 39.86 1u5m s ILE 43 CO 0.54 0.33 0.95 0.27 0.00 0.00 0.00 174.94 177.03 1u5m s ILE 44 N 1.42 4.39 0.27 2.92 -4.36 -1.26 -4.98 121.20 119.60 1u5m s ILE 44 Ca 0.04 0.40 0.08 0.00 -0.26 0.00 0.00 60.65 60.90 1u5m s ILE 44 Cb -0.15 -4.52 -0.04 0.00 1.25 0.00 0.00 42.46 39.00 1u5m s ILE 44 CO -0.04 -1.06 0.15 0.00 0.24 0.00 0.00 174.94 174.23 1u5m n GLU 46 N -1.12 -1.21 -4.01 0.00 -0.58 -1.26 -4.96 120.64 107.50 1u5m n GLU 46 Ca -0.07 -0.31 -0.15 0.00 -0.42 0.00 0.00 57.16 56.21 1u5m n GLU 46 Cb 0.58 -2.00 -0.15 0.00 -0.57 0.00 0.00 31.44 29.31 1u5m n GLU 46 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1u5m s ASP 47 N -2.19 0.37 -0.15 1.62 1.11 -1.26 -4.85 116.67 111.32 1u5m s ASP 47 Ca 0.62 -0.05 -0.24 0.00 0.18 0.00 0.00 52.55 53.06 1u5m s ASP 47 Cb -0.20 -0.09 0.06 0.00 1.07 0.00 0.00 42.92 43.76 1u5m s ASP 47 CO 0.65 -0.00 0.61 -0.69 1.18 0.00 0.00 175.17 176.92 1u5m s VAL 48 N 0.24 0.01 0.39 -1.27 1.01 -1.26 -4.72 120.40 114.79 1u5m s VAL 48 Ca -0.02 -0.05 0.20 0.00 0.00 0.00 0.00 61.98 62.11 1u5m s VAL 48 Cb -0.05 -0.89 0.39 0.00 0.00 0.00 0.00 36.38 35.83 1u5m s VAL 48 CO -0.01 -0.03 1.69 0.11 0.00 0.00 0.00 175.10 176.87 1u5m h LYS 49 N 4.29 0.29 0.00 2.72 6.56 -2.01 -3.42 116.57 124.99 1u5m h LYS 49 Ca -0.28 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.29 1u5m h LYS 49 Cb 1.16 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.75 1u5m h LYS 49 CO 0.23 0.19 0.00 -0.25 -2.06 0.00 0.00 179.45 177.57 1u5m n ASP 50 N -4.79 0.00 -1.42 0.86 9.92 -1.26 -5.15 116.55 114.71 1u5m n ASP 50 Ca 0.31 0.00 0.17 0.00 -0.53 0.00 0.00 54.79 54.74 1u5m n ASP 50 Cb 1.06 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 41.45 1u5m n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1u5m n LEU 52 N -4.28 0.00 -4.29 0.00 4.77 -1.26 -4.44 117.00 107.51 1u5m n LEU 52 Ca -0.08 0.16 -0.34 0.00 -0.03 0.00 0.00 56.01 55.73 1u5m n LEU 52 Cb 0.66 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.61 1u5m n LEU 52 CO 0.03 0.00 -0.43 -0.44 -1.33 0.00 0.00 177.39 175.22 1u5m s SER 53 N -2.95 3.97 0.22 -1.43 0.01 -1.26 -5.07 113.70 107.19 1u5m s SER 53 Ca 0.00 -0.43 -0.30 0.00 1.31 0.00 0.00 55.95 56.53 1u5m s SER 53 Cb 0.00 -1.65 -0.08 0.00 0.21 0.00 0.00 66.02 64.50 1u5m s SER 53 CO 0.00 0.04 1.10 -2.16 0.41 0.00 0.00 173.24 172.63 1u5m s PRO 54 N 1.12 4.61 -0.26 12.44 0.04 -1.26 -4.22 135.00 147.48 1u5m s PRO 54 Ca 0.01 1.75 -0.17 0.00 0.04 0.00 0.00 61.00 62.64 1u5m s PRO 54 Cb -0.14 -3.24 0.07 0.00 0.04 0.00 0.00 34.50 31.23 1u5m s PRO 54 CO -0.03 0.13 0.65 -1.83 0.04 0.00 0.00 177.00 175.97 1u5m s GLU 55 N -0.79 0.68 -0.18 4.56 -1.05 -1.17 -4.74 118.70 116.01 1u5m s GLU 55 Ca 0.47 1.11 -0.29 0.00 -0.15 0.00 0.00 54.97 56.12 1u5m s GLU 55 Cb -0.30 0.17 -0.00 0.00 -0.44 0.00 0.00 34.13 33.55 1u5m s GLU 55 CO 0.37 -0.14 1.08 -1.50 0.95 0.00 0.00 175.26 176.02 1u5m s ILE 56 N 1.36 4.61 -0.13 1.83 2.07 -1.26 -3.76 121.20 125.91 1u5m s ILE 56 Ca -0.08 1.92 -0.29 0.00 -1.41 0.00 0.00 60.65 60.79 1u5m s ILE 56 Cb -0.05 -4.24 -0.02 0.00 0.13 0.00 0.00 42.46 38.28 1u5m s ILE 56 CO -0.15 -0.12 1.26 -2.16 -1.91 0.00 0.00 174.94 171.86 1u5m s PRO 57 N 2.91 4.26 -1.47 3.50 0.04 -1.26 -3.69 135.00 139.29 1u5m s PRO 57 Ca 0.48 1.68 -0.18 0.00 0.04 0.00 0.00 61.00 63.02 1u5m s PRO 57 Cb -0.18 -3.71 0.18 0.00 0.04 0.00 0.00 34.50 30.83 1u5m s PRO 57 CO 0.11 -0.64 0.44 0.34 0.04 0.00 0.00 177.00 177.29 1u5m n PHE 58 N 6.25 -0.92 -2.11 0.56 7.35 -1.26 -3.62 117.46 123.72 1u5m n PHE 58 Ca 0.13 0.54 0.00 0.00 -0.76 0.00 0.00 57.45 57.36 1u5m n PHE 58 Cb 0.45 -1.51 0.00 0.00 0.35 0.00 0.00 39.48 38.77 1u5m n PHE 58 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1u5m n GLY 59 N -1.03 -4.96 0.72 7.13 0.00 -1.24 -5.06 105.19 100.75 1u5m n GLY 59 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1u5m n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u5m n GLU 60 N 1.94 0.00 0.00 1.61 -0.58 -1.24 -5.08 120.64 117.29 1u5m n GLU 60 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1u5m n GLU 60 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1u5m n GLU 60 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1u5m n PRO 63 N 4.89 2.75 -4.49 0.00 -0.04 -1.26 -4.47 135.00 132.37 1u5m n PRO 63 Ca -0.09 -1.75 -0.23 0.00 -0.04 0.00 0.00 63.50 61.39 1u5m n PRO 63 Cb 0.42 -2.59 -0.11 0.00 -0.04 0.00 0.00 33.50 31.19 1u5m n PRO 63 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1u5m s ILE 64 N 2.86 1.37 -0.30 0.52 -4.36 -1.25 -3.34 121.20 116.71 1u5m s ILE 64 Ca 0.52 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.78 1u5m s ILE 64 Cb 0.14 -2.84 -0.03 0.00 1.25 0.00 0.00 42.46 40.98 1u5m s ILE 64 CO -0.04 -0.00 0.30 0.00 0.24 0.00 0.00 174.94 175.43 1u5m s PRO 66 N 1.92 -0.01 0.08 0.00 0.04 -1.26 -4.52 135.00 131.25 1u5m s PRO 66 Ca 0.11 -0.15 -0.23 0.00 0.04 0.00 0.00 61.00 60.77 1u5m s PRO 66 Cb -0.16 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 1u5m s PRO 66 CO 0.11 -2.89 1.37 0.00 0.04 0.00 0.00 177.00 175.63 1u5m h ALA 67 N -1.99 -0.69 -1.22 8.56 0.00 -1.95 -3.40 119.26 118.56 1u5m h ALA 67 Ca -0.46 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 1u5m h ALA 67 Cb 1.28 0.93 -0.20 0.00 0.00 0.00 0.00 17.79 19.79 1u5m h ALA 67 CO 0.41 -0.85 -0.55 -0.51 0.00 0.00 0.00 179.25 177.75 1u5m s ASP 68 N -4.21 -0.95 -0.27 0.00 1.11 -1.26 -5.02 116.67 106.08 1u5m s ASP 68 Ca -0.10 -1.58 -0.24 0.00 0.18 0.00 0.00 52.55 50.81 1u5m s ASP 68 Cb 0.05 1.56 0.04 0.00 1.07 0.00 0.00 42.92 45.64 1u5m s ASP 68 CO 0.42 -0.12 0.40 0.00 1.18 0.00 0.00 175.17 177.05 1u5m n LEU 69 N 3.48 -2.85 -3.98 1.23 -0.00 -1.26 -4.94 117.00 108.67 1u5m n LEU 69 Ca 0.17 0.06 -0.31 0.00 -0.00 0.00 0.00 56.01 55.93 1u5m n LEU 69 Cb 0.54 -1.56 -0.16 0.00 -0.00 0.00 0.00 43.42 42.25 1u5m n LEU 69 CO 0.01 -0.55 -0.44 0.00 -0.00 0.00 0.00 177.39 176.41 1u5m s ALA 70 N -1.25 2.08 -0.10 1.47 0.00 -1.26 -4.98 121.76 117.72 1u5m s ALA 70 Ca 0.23 -1.37 -0.13 0.00 0.00 0.00 0.00 51.96 50.69 1u5m s ALA 70 Cb -0.02 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 1u5m s ALA 70 CO 0.52 -1.06 -0.25 0.00 0.00 0.00 0.00 175.76 174.97 1u5m n ALA 71 N 4.64 1.43 -2.55 0.00 0.00 -1.26 -4.77 120.51 117.99 1u5m n ALA 71 Ca -0.13 -0.60 -0.26 0.00 0.00 0.00 0.00 53.44 52.45 1u5m n ALA 71 Cb 0.45 0.09 -0.09 0.00 0.00 0.00 0.00 19.45 19.89 1u5m n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u5m s ALA 72 N -2.67 2.91 0.00 0.00 0.00 -1.26 -4.99 121.76 115.75 1u5m s ALA 72 Ca -0.21 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.18 1u5m s ALA 72 Cb 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1u5m s ALA 72 CO 0.31 0.40 0.00 0.00 0.00 0.00 0.00 175.76 176.48