#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 4.62 0.46 -0.72 1.01 -1.26 -5.03 120.40 119.48 1u5m s VAL 2 Ca 0.00 0.69 0.01 0.00 0.00 0.00 0.00 61.98 62.68 1u5m s VAL 2 Cb 0.00 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 32.07 1u5m s VAL 2 CO 0.00 -0.66 0.67 -1.83 0.00 0.00 0.00 175.10 173.28 1u5m s GLU 3 N 3.37 2.93 0.02 2.72 -1.05 -1.26 -5.12 118.70 120.32 1u5m s GLU 3 Ca 0.33 -0.64 -0.28 0.00 -0.15 0.00 0.00 54.97 54.22 1u5m s GLU 3 Cb -0.12 -2.58 0.10 0.00 -0.44 0.00 0.00 34.13 31.09 1u5m s GLU 3 CO 0.22 -0.35 0.85 0.12 0.95 0.00 0.00 175.26 177.05 1u5m s PHE 4 N -2.56 -0.37 0.20 4.83 2.19 -1.26 -5.18 117.98 115.83 1u5m s PHE 4 Ca 0.50 0.22 0.11 0.00 0.33 0.00 0.00 56.93 58.10 1u5m s PHE 4 Cb -0.10 0.54 -0.04 0.00 -1.31 0.00 0.00 43.02 42.11 1u5m s PHE 4 CO 0.37 -0.59 -0.23 -0.65 1.83 0.00 0.00 175.22 175.95 1u5m s GLN 5 N -3.21 1.50 0.10 10.12 -1.52 -1.26 -4.99 119.66 120.40 1u5m s GLN 5 Ca 0.05 -1.53 0.00 0.00 -1.95 0.00 0.00 55.36 51.92 1u5m s GLN 5 Cb -0.01 -1.77 0.00 0.00 -0.22 0.00 0.00 33.01 31.01 1u5m s GLN 5 CO -0.09 0.38 0.00 0.39 -0.25 0.00 0.00 175.29 175.71 1u5m n GLU 6 N 0.19 -5.20 -4.32 2.91 1.02 -1.26 -5.06 120.64 108.91 1u5m n GLU 6 Ca -0.12 3.75 -0.17 0.00 -0.02 0.00 0.00 57.16 60.60 1u5m n GLU 6 Cb 0.56 -4.39 -0.10 0.00 -0.02 0.00 0.00 31.44 27.50 1u5m n GLU 6 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u5m s ALA 7 N -0.54 1.78 0.00 0.62 0.00 -1.26 -5.01 121.76 117.35 1u5m s ALA 7 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.27 1u5m s ALA 7 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.41 1u5m s ALA 7 CO 0.00 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1u5m n GLY 8 N -0.37 -1.22 3.80 0.00 0.00 -1.26 -4.98 105.19 101.15 1u5m n GLY 8 Ca -0.07 0.49 -0.36 0.00 0.00 0.00 0.00 46.02 46.08 1u5m n GLY 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u5m s SER 9 N 0.00 6.31 -0.19 1.61 1.04 -1.26 -4.62 113.70 116.59 1u5m s SER 9 Ca 0.00 0.36 -0.04 0.00 0.48 0.00 0.00 55.95 56.74 1u5m s SER 9 Cb 0.00 -2.09 -0.02 0.00 0.10 0.00 0.00 66.02 64.01 1u5m s SER 9 CO 0.00 0.28 -0.02 0.00 0.98 0.00 0.00 173.24 174.48 1u5m s VAL 11 N 0.80 5.01 -0.36 0.00 1.01 -1.26 -0.79 120.40 124.82 1u5m s VAL 11 Ca -0.00 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1u5m s VAL 11 Cb -0.14 -3.73 0.11 0.00 0.00 0.00 0.00 36.38 32.61 1u5m s VAL 11 CO 0.02 -0.20 0.11 -1.58 0.00 0.00 0.00 175.10 173.45 1u5m s GLN 12 N 1.65 1.29 0.00 2.72 2.00 -0.42 -4.67 119.66 122.22 1u5m s GLN 12 Ca 0.04 -1.74 0.00 0.00 -2.00 0.00 0.00 55.36 51.66 1u5m s GLN 12 Cb -0.19 -2.77 0.00 0.00 0.80 0.00 0.00 33.01 30.85 1u5m s GLN 12 CO 0.09 -1.00 0.00 -3.47 -0.50 0.00 0.00 175.29 170.41 1u5m n ASP 13 N 4.23 -2.28 0.00 6.67 -0.08 -1.26 -2.05 116.55 121.78 1u5m n ASP 13 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1u5m n ASP 13 Cb 0.40 -1.28 0.00 0.00 2.34 0.00 0.00 41.12 42.58 1u5m n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1u5m n GLY 14 N -1.75 1.31 3.38 0.27 0.00 -1.26 -5.10 105.19 102.04 1u5m n GLY 14 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.08 3.09 -0.24 1.61 -0.21 -0.87 -5.08 119.66 117.88 1u5m s GLN 15 Ca 0.00 -0.71 -0.26 0.00 0.02 0.00 0.00 55.36 54.40 1u5m s GLN 15 Cb 0.00 -2.52 0.00 0.00 1.00 0.00 0.00 33.01 31.49 1u5m s GLN 15 CO 0.00 0.33 0.92 1.03 -2.12 0.00 0.00 175.29 175.45 1u5m s ARG 16 N 0.04 4.22 0.10 2.91 0.52 -1.25 -1.30 118.95 124.18 1u5m s ARG 16 Ca -0.05 1.12 0.03 0.00 -0.52 0.00 0.00 55.73 56.30 1u5m s ARG 16 Cb -0.15 -3.64 -0.04 0.00 0.52 0.00 0.00 34.95 31.64 1u5m s ARG 16 CO 0.04 -0.56 -0.08 0.71 0.02 0.00 0.00 175.30 175.43 1u5m s TYR 17 N 2.98 0.96 0.62 -0.53 2.02 0.03 -4.92 117.35 118.51 1u5m s TYR 17 Ca 0.39 -0.77 -0.09 0.00 -0.37 0.00 0.00 57.07 56.23 1u5m s TYR 17 Cb -0.15 -0.54 0.14 0.00 -0.40 0.00 0.00 41.96 41.01 1u5m s TYR 17 CO 0.07 -0.07 0.85 0.09 -1.57 0.00 0.00 175.55 174.91 1u5m n ASN 18 N 0.30 0.21 -0.01 2.29 3.02 -1.26 -1.00 115.26 118.81 1u5m n ASN 18 Ca -0.14 -1.39 -0.00 0.00 -0.03 0.00 0.00 54.58 53.01 1u5m n ASN 18 Cb 0.59 -0.63 -0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1u5m n ASN 18 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1u5m h ASP 19 N -1.03 0.00 -0.33 6.41 3.04 -1.82 -3.32 116.42 119.37 1u5m h ASP 19 Ca -0.27 0.00 0.10 0.00 -3.24 0.00 0.00 57.03 53.61 1u5m h ASP 19 Cb 0.79 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.07 1u5m h ASP 19 CO 0.21 0.10 0.58 0.50 -2.04 0.00 0.00 179.24 178.59 1u5m h LYS 20 N -0.19 0.00 -6.55 4.15 3.64 -1.97 -3.23 116.57 112.41 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 0.02 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1u5m h LYS 20 CO 0.00 0.00 0.90 -0.51 -2.27 0.00 0.00 179.45 177.57 1u5m s ASP 21 N -4.51 6.61 -0.06 4.20 -0.00 -1.25 -4.94 116.67 116.72 1u5m s ASP 21 Ca -0.03 2.55 0.05 0.00 -0.00 0.00 0.00 52.55 55.13 1u5m s ASP 21 Cb 0.11 -2.58 -0.01 0.00 -0.00 0.00 0.00 42.92 40.44 1u5m s ASP 21 CO 0.39 -0.83 -0.23 0.68 -0.00 0.00 0.00 175.17 175.18 1u5m s VAL 22 N 1.59 2.24 0.07 -1.27 -7.23 -1.26 -3.55 120.40 110.99 1u5m s VAL 22 Ca 0.71 -1.00 0.07 0.00 -1.81 0.00 0.00 61.98 59.94 1u5m s VAL 22 Cb -0.42 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 1u5m s VAL 22 CO 0.31 0.57 -0.18 -1.66 -0.31 0.00 0.00 175.10 173.84 1u5m s TRP 23 N -0.21 1.54 -0.44 2.82 -2.14 -0.96 -5.05 118.94 114.50 1u5m s TRP 23 Ca -0.02 -0.41 -0.06 0.00 2.66 0.00 0.00 56.10 58.27 1u5m s TRP 23 Cb -0.13 -0.87 0.11 0.00 -3.10 0.00 0.00 33.47 29.48 1u5m s TRP 23 CO 0.03 0.12 0.28 0.21 -2.66 0.00 0.00 176.95 174.93 1u5m s LYS 24 N -1.59 2.27 0.12 3.25 2.47 -1.26 -2.23 119.74 122.78 1u5m s LYS 24 Ca 0.03 -1.78 -0.07 0.00 -1.56 0.00 0.00 55.97 52.59 1u5m s LYS 24 Cb -0.09 -3.77 -0.10 0.00 -1.46 0.00 0.00 37.83 32.41 1u5m s LYS 24 CO 0.03 -1.14 1.31 -1.00 0.16 0.00 0.00 175.35 174.71 1u5m h PRO 25 N 8.28 0.53 -5.08 4.03 0.13 -1.91 -3.46 132.00 134.52 1u5m h PRO 25 Ca -0.18 -0.51 -0.34 0.00 -0.87 0.00 0.00 66.00 64.10 1u5m h PRO 25 Cb 1.06 0.13 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 1u5m h PRO 25 CO 0.79 1.14 -0.73 -1.21 -0.23 0.00 0.00 178.00 177.76 1u5m s GLU 26 N -3.44 0.94 0.00 0.86 2.02 -1.01 -5.00 118.70 113.06 1u5m s GLU 26 Ca -0.07 -1.25 0.22 0.00 0.02 0.00 0.00 54.97 53.88 1u5m s GLU 26 Cb 0.09 -0.63 0.95 0.00 0.10 0.00 0.00 34.13 34.64 1u5m s GLU 26 CO 0.88 0.10 1.70 -0.35 0.02 0.00 0.00 175.26 177.61 1u5m n PRO 27 N 0.35 0.03 0.00 0.39 -0.04 -1.26 -2.37 135.00 132.11 1u5m n PRO 27 Ca -0.14 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1u5m n PRO 27 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.08 0.79 -0.10 0.00 6.06 -1.00 -2.76 118.95 121.85 1u5m s ARG 29 Ca 0.00 -0.23 0.03 0.00 -2.50 0.00 0.00 55.73 53.03 1u5m s ARG 29 Cb 0.00 -0.76 0.01 0.00 0.06 0.00 0.00 34.95 34.26 1u5m s ARG 29 CO 0.00 0.07 -0.19 -1.50 -2.50 0.00 0.00 175.30 171.18 1u5m s ILE 30 N 0.27 1.77 -0.04 4.11 -1.16 -1.08 -2.39 121.20 122.68 1u5m s ILE 30 Ca -0.04 -0.83 0.02 0.00 -0.51 0.00 0.00 60.65 59.30 1u5m s ILE 30 Cb -0.08 -1.56 -0.03 0.00 0.61 0.00 0.00 42.46 41.39 1u5m s ILE 30 CO 0.00 0.49 -0.07 0.00 -2.81 0.00 0.00 174.94 172.55 1u5m s VAL 32 N -0.88 -0.00 -0.57 0.00 0.11 0.40 -2.26 120.40 117.20 1u5m s VAL 32 Ca 0.14 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.00 1u5m s VAL 32 Cb -0.11 -0.35 0.08 0.00 -1.53 0.00 0.00 36.38 34.47 1u5m s VAL 32 CO 0.04 0.00 0.70 0.00 -3.33 0.00 0.00 175.10 172.52 1u5m s ASP 34 N 3.27 5.07 -0.61 0.00 3.68 0.79 -3.62 116.67 125.26 1u5m s ASP 34 Ca 0.14 -1.17 0.00 0.00 2.13 0.00 0.00 52.55 53.65 1u5m s ASP 34 Cb -0.21 -1.79 0.00 0.00 -1.45 0.00 0.00 42.92 39.47 1u5m s ASP 34 CO 0.09 -0.28 0.00 0.41 0.13 0.00 0.00 175.17 175.52 1u5m n THR 35 N 4.72 -0.18 -0.83 1.71 -1.04 -1.26 -2.38 114.28 115.02 1u5m n THR 35 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1u5m n THR 35 Cb 0.44 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 67.81 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 -1.50 0.72 3.49 3.41 0.00 -1.26 -4.72 105.19 105.33 1u5m n GLY 36 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.67 4.11 -0.94 2.61 2.01 -1.00 -4.80 115.64 114.96 1u5m s THR 37 Ca 0.00 -0.26 -0.23 0.00 0.31 0.00 0.00 61.69 61.50 1u5m s THR 37 Cb 0.00 -2.85 0.05 0.00 0.01 0.00 0.00 72.50 69.71 1u5m s THR 37 CO 0.00 0.44 1.37 -0.69 -0.69 0.00 0.00 174.62 175.05 1u5m s VAL 38 N 0.80 3.96 -0.20 3.82 1.01 -1.26 -0.15 120.40 128.39 1u5m s VAL 38 Ca 0.01 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1u5m s VAL 38 Cb -0.14 -4.99 -0.05 0.00 0.00 0.00 0.00 36.38 31.20 1u5m s VAL 38 CO 0.02 -1.87 0.11 -0.22 0.00 0.00 0.00 175.10 173.14 1u5m s LEU 39 N 4.91 4.10 -0.16 3.92 2.96 0.77 -4.88 118.68 130.30 1u5m s LEU 39 Ca 0.42 0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 54.49 1u5m s LEU 39 Cb -0.03 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 1u5m s LEU 39 CO -0.04 0.17 -0.09 0.00 -1.32 0.00 0.00 176.35 175.07 1u5m s ASP 41 N 0.59 4.79 0.23 0.00 1.11 0.06 -4.97 116.67 118.48 1u5m s ASP 41 Ca -0.06 -0.32 -0.30 0.00 0.18 0.00 0.00 52.55 52.06 1u5m s ASP 41 Cb -0.15 -1.05 -0.09 0.00 1.07 0.00 0.00 42.92 42.71 1u5m s ASP 41 CO 0.03 0.13 1.00 -1.81 1.18 0.00 0.00 175.17 175.70 1u5m s ASP 42 N -2.59 7.50 -0.71 0.27 1.11 -1.26 -2.62 116.67 118.37 1u5m s ASP 42 Ca 0.26 2.03 -0.26 0.00 0.18 0.00 0.00 52.55 54.75 1u5m s ASP 42 Cb -0.10 -2.61 0.01 0.00 1.07 0.00 0.00 42.92 41.28 1u5m s ASP 42 CO 0.18 0.02 1.55 -0.63 1.18 0.00 0.00 175.17 177.47 1u5m s ILE 43 N -0.98 3.57 -0.46 0.77 1.01 -1.11 -4.95 121.20 119.06 1u5m s ILE 43 Ca 0.43 0.22 -0.23 0.00 0.00 0.00 0.00 60.65 61.07 1u5m s ILE 43 Cb -0.28 -4.49 0.03 0.00 0.01 0.00 0.00 42.46 37.73 1u5m s ILE 43 CO 0.34 -1.44 0.80 0.27 0.00 0.00 0.00 174.94 174.91 1u5m s ILE 44 N 7.23 4.62 0.56 2.92 -4.36 -1.26 -4.65 121.20 126.27 1u5m s ILE 44 Ca 0.50 0.44 -0.02 0.00 -0.26 0.00 0.00 60.65 61.31 1u5m s ILE 44 Cb -0.09 -4.34 0.02 0.00 1.25 0.00 0.00 42.46 39.30 1u5m s ILE 44 CO 0.15 -0.75 0.82 0.00 0.24 0.00 0.00 174.94 175.41 1u5m s GLU 46 N -4.86 2.67 0.35 0.00 2.02 -1.26 -5.07 118.70 112.54 1u5m s GLU 46 Ca 0.54 0.25 0.07 0.00 0.02 0.00 0.00 54.97 55.85 1u5m s GLU 46 Cb -0.10 -2.07 -0.01 0.00 0.10 0.00 0.00 34.13 32.05 1u5m s GLU 46 CO 0.41 -1.08 0.48 0.34 0.02 0.00 0.00 175.26 175.44 1u5m s ASP 47 N -4.40 5.93 0.09 -0.19 -1.08 -1.26 -4.88 116.67 110.88 1u5m s ASP 47 Ca 0.58 -0.21 -0.05 0.00 -0.52 0.00 0.00 52.55 52.34 1u5m s ASP 47 Cb -0.11 -1.16 0.02 0.00 -1.46 0.00 0.00 42.92 40.21 1u5m s ASP 47 CO 0.49 -0.47 0.27 0.55 0.52 0.00 0.00 175.17 176.53 1u5m n VAL 48 N -1.67 0.00 -3.51 1.11 3.14 -1.26 -3.83 118.33 112.30 1u5m n VAL 48 Ca 0.01 -0.23 -0.26 0.00 -2.96 0.00 0.00 64.34 60.90 1u5m n VAL 48 Cb 0.58 0.26 -0.14 0.00 -1.06 0.00 0.00 33.84 33.48 1u5m n VAL 48 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1u5m s LYS 49 N -2.02 0.21 -1.42 1.45 2.20 -1.26 -4.90 119.74 114.00 1u5m s LYS 49 Ca 0.06 -0.39 -0.14 0.00 -0.36 0.00 0.00 55.97 55.14 1u5m s LYS 49 Cb -0.01 -1.09 0.02 0.00 -1.51 0.00 0.00 37.83 35.24 1u5m s LYS 49 CO 0.03 -0.99 0.26 -0.25 -0.36 0.00 0.00 175.35 174.03 1u5m n ASP 50 N 5.27 -0.94 -4.56 1.43 9.92 -1.26 -4.80 116.55 121.60 1u5m n ASP 50 Ca -0.05 -1.29 -0.36 0.00 -0.53 0.00 0.00 54.79 52.56 1u5m n ASP 50 Cb 0.44 -1.58 0.07 0.00 -0.64 0.00 0.00 41.12 39.41 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 -1.00 0.00 -4.26 0.00 4.77 -1.26 -4.39 117.00 110.86 1u5m n LEU 52 Ca 0.12 0.35 -0.34 0.00 -0.03 0.00 0.00 56.01 56.11 1u5m n LEU 52 Cb 0.49 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.43 1u5m n LEU 52 CO 0.49 0.00 -0.43 -0.44 -1.33 0.00 0.00 177.39 175.68 1u5m s SER 53 N -2.96 3.91 -0.12 -1.43 0.01 -1.26 -5.06 113.70 106.79 1u5m s SER 53 Ca 0.00 -0.47 -0.30 0.00 1.31 0.00 0.00 55.95 56.50 1u5m s SER 53 Cb 0.00 -1.65 -0.02 0.00 0.21 0.00 0.00 66.02 64.56 1u5m s SER 53 CO 0.00 -0.00 1.26 -2.16 0.41 0.00 0.00 173.24 172.75 1u5m s PRO 54 N 1.34 4.28 -0.10 12.44 0.04 -1.26 -3.96 135.00 147.78 1u5m s PRO 54 Ca 0.04 1.69 -0.09 0.00 0.04 0.00 0.00 61.00 62.69 1u5m s PRO 54 Cb -0.14 -3.69 0.03 0.00 0.04 0.00 0.00 34.50 30.74 1u5m s PRO 54 CO -0.06 -0.61 0.26 -2.00 0.04 0.00 0.00 177.00 174.63 1u5m s GLU 55 N 3.01 0.30 -0.30 4.56 2.12 -1.12 -4.63 118.70 122.64 1u5m s GLU 55 Ca 0.56 0.38 -0.29 0.00 0.36 0.00 0.00 54.97 55.98 1u5m s GLU 55 Cb -0.23 0.13 -0.01 0.00 0.26 0.00 0.00 34.13 34.27 1u5m s GLU 55 CO 0.18 -0.05 1.57 -1.50 -0.54 0.00 0.00 175.26 174.92 1u5m s ILE 56 N 0.23 3.75 -0.26 -3.70 2.07 -1.26 -3.25 121.20 118.78 1u5m s ILE 56 Ca -0.01 0.81 -0.29 0.00 -1.41 0.00 0.00 60.65 59.76 1u5m s ILE 56 Cb -0.03 -3.86 -0.01 0.00 0.13 0.00 0.00 42.46 38.70 1u5m s ILE 56 CO -0.00 -0.44 1.33 -2.16 -1.91 0.00 0.00 174.94 171.75 1u5m s PRO 57 N 4.88 3.96 -0.26 3.50 0.04 -1.26 -4.25 135.00 141.61 1u5m s PRO 57 Ca 0.69 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 62.89 1u5m s PRO 57 Cb -0.21 -3.88 0.03 0.00 0.04 0.00 0.00 34.50 30.49 1u5m s PRO 57 CO 0.30 -1.06 0.37 0.34 0.04 0.00 0.00 177.00 176.99 1u5m n PHE 58 N 7.53 -1.62 -2.18 0.56 7.35 -1.26 -3.61 117.46 124.22 1u5m n PHE 58 Ca 0.15 0.68 -0.02 0.00 -0.76 0.00 0.00 57.45 57.50 1u5m n PHE 58 Cb 0.46 -1.56 0.00 0.00 0.35 0.00 0.00 39.48 38.73 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 0.45 0.01 0.58 7.13 0.00 -1.26 -4.97 105.19 107.14 1u5m n GLY 59 Ca -0.04 0.07 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 0.88 1.74 -0.02 1.61 -0.58 -1.24 -5.02 120.64 118.02 1u5m n GLU 60 Ca -0.01 -0.59 0.05 0.00 -0.42 0.00 0.00 57.16 56.20 1u5m n GLU 60 Cb 0.32 0.14 -0.12 0.00 -0.57 0.00 0.00 31.44 31.21 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 4.57 2.20 -4.46 0.00 -0.04 -1.26 -4.33 135.00 131.68 1u5m n PRO 63 Ca -0.08 -1.31 -0.22 0.00 -0.04 0.00 0.00 63.50 61.85 1u5m n PRO 63 Cb 0.42 -2.27 -0.10 0.00 -0.04 0.00 0.00 33.50 31.51 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 2.24 1.69 -0.31 0.52 -4.36 -1.20 -2.81 121.20 116.96 1u5m s ILE 64 Ca 0.52 -2.11 -0.14 0.00 -0.26 0.00 0.00 60.65 58.66 1u5m s ILE 64 Cb 0.18 -2.57 -0.03 0.00 1.25 0.00 0.00 42.46 41.29 1u5m s ILE 64 CO -0.02 -0.22 0.32 0.00 0.24 0.00 0.00 174.94 175.26 1u5m n PRO 66 N 5.29 -0.50 -3.21 0.00 -0.04 -1.26 -4.50 135.00 130.78 1u5m n PRO 66 Ca -0.10 -0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.14 1u5m n PRO 66 Cb 0.50 -0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.89 1u5m n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u5m n ALA 67 N -3.00 1.67 -2.26 0.55 0.00 -1.25 -4.89 120.51 111.34 1u5m n ALA 67 Ca -0.00 -2.67 -0.00 0.00 0.00 0.00 0.00 53.44 50.77 1u5m n ALA 67 Cb 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 18.53 1u5m n ALA 67 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1u5m n ASP 68 N 2.58 -0.16 -4.19 0.00 9.92 -1.26 -5.06 116.55 118.39 1u5m n ASP 68 Ca 0.25 -0.90 -0.27 0.00 -0.53 0.00 0.00 54.79 53.34 1u5m n ASP 68 Cb 0.51 0.07 -0.16 0.00 -0.64 0.00 0.00 41.12 40.90 1u5m n ASP 68 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1u5m s LEU 69 N -0.36 1.99 0.14 0.64 2.34 -1.26 -5.04 118.68 117.12 1u5m s LEU 69 Ca 0.01 -0.38 -0.29 0.00 0.06 0.00 0.00 54.13 53.52 1u5m s LEU 69 Cb 0.04 -1.07 -0.08 0.00 -0.56 0.00 0.00 46.19 44.52 1u5m s LEU 69 CO -0.01 0.21 1.50 0.00 -1.06 0.00 0.00 176.35 176.98 1u5m h ALA 70 N 5.98 -0.60 -6.05 1.48 0.00 -2.03 -3.46 119.26 114.58 1u5m h ALA 70 Ca -0.35 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1u5m h ALA 70 Cb 1.16 1.25 -0.00 0.00 0.00 0.00 0.00 17.79 20.20 1u5m h ALA 70 CO 0.48 -0.93 -0.96 0.00 0.00 0.00 0.00 179.25 177.84 1u5m n ALA 71 N -3.16 -2.33 -3.11 0.00 0.00 -1.26 -4.08 120.51 106.58 1u5m n ALA 71 Ca -0.00 0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.41 1u5m n ALA 71 Cb 0.27 -0.70 0.02 0.00 0.00 0.00 0.00 19.45 19.04 1u5m n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u5m n ALA 72 N 1.23 -2.73 0.54 0.00 0.00 -1.26 -5.23 120.51 113.07 1u5m n ALA 72 Ca -0.01 0.78 0.04 0.00 0.00 0.00 0.00 53.44 54.25 1u5m n ALA 72 Cb 0.36 -2.92 0.26 0.00 0.00 0.00 0.00 19.45 17.15 1u5m n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50