#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wtq s LYS 3 N 0.00 3.78 -0.22 5.55 -0.14 -1.26 -1.63 119.74 125.82 1wtq s LYS 3 Ca 0.00 -0.28 -0.14 0.00 -1.36 0.00 0.00 55.97 54.19 1wtq s LYS 3 Cb 0.00 -3.20 -0.04 0.00 -1.68 0.00 0.00 37.83 32.91 1wtq s LYS 3 CO 0.00 0.45 0.31 0.08 -0.76 0.00 0.00 175.35 175.42 1wtq s VAL 4 N -0.10 5.26 -0.17 3.17 1.01 0.40 -4.85 120.40 125.11 1wtq s VAL 4 Ca 0.08 0.50 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 1wtq s VAL 4 Cb -0.12 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1wtq s VAL 4 CO 0.01 0.28 0.05 -0.75 0.00 0.00 0.00 175.10 174.68 1wtq s LYS 5 N 1.27 3.87 0.15 2.72 2.20 -1.26 -1.02 119.74 127.67 1wtq s LYS 5 Ca 0.14 -0.37 -0.24 0.00 -0.36 0.00 0.00 55.97 55.15 1wtq s LYS 5 Cb -0.14 -3.15 0.07 0.00 -1.51 0.00 0.00 37.83 33.10 1wtq s LYS 5 CO 0.07 0.31 0.66 -0.59 -0.36 0.00 0.00 175.35 175.44 1wtq s PHE 6 N 0.26 -0.47 -0.11 4.03 -0.71 -0.78 -4.99 117.98 115.21 1wtq s PHE 6 Ca 0.03 0.24 -0.02 0.00 -1.04 0.00 0.00 56.93 56.14 1wtq s PHE 6 Cb -0.13 0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 42.23 1wtq s PHE 6 CO 0.01 -0.84 -0.04 0.21 -1.34 0.00 0.00 175.22 173.22 1wtq s LYS 7 N -3.66 3.25 -0.03 1.99 2.20 -1.26 -0.39 119.74 121.84 1wtq s LYS 7 Ca 0.03 -0.50 -0.01 0.00 -0.36 0.00 0.00 55.97 55.13 1wtq s LYS 7 Cb -0.01 -2.80 0.03 0.00 -1.51 0.00 0.00 37.83 33.54 1wtq s LYS 7 CO -0.10 0.47 0.04 -0.47 -0.36 0.00 0.00 175.35 174.93 1wtq s TYR 8 N -0.27 0.07 -1.48 4.03 5.04 0.13 -4.81 117.35 120.06 1wtq s TYR 8 Ca 0.05 0.16 -0.10 0.00 -2.44 0.00 0.00 57.07 54.74 1wtq s TYR 8 Cb -0.13 -0.34 0.07 0.00 0.35 0.00 0.00 41.96 41.91 1wtq s TYR 8 CO 0.02 -0.13 0.89 1.63 -1.34 0.00 0.00 175.55 176.63 1wtq n LYS 9 N 4.58 -5.24 -0.84 4.97 5.02 -1.26 -0.76 118.16 124.63 1wtq n LYS 9 Ca -0.19 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1wtq n LYS 9 Cb 0.50 -5.37 0.00 0.00 -0.02 0.00 0.00 35.03 30.14 1wtq n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wtq n GLY 10 N -1.67 0.55 3.68 0.72 0.00 -1.26 -5.00 105.19 102.21 1wtq n GLY 10 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1wtq n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wtq s GLU 11 N -0.47 4.07 0.18 1.61 2.02 0.07 -5.07 118.70 121.10 1wtq s GLU 11 Ca 0.00 -0.28 -0.30 0.00 0.02 0.00 0.00 54.97 54.41 1wtq s GLU 11 Cb 0.00 -3.31 -0.07 0.00 0.10 0.00 0.00 34.13 30.85 1wtq s GLU 11 CO 0.00 0.30 0.98 -1.21 0.02 0.00 0.00 175.26 175.34 1wtq s GLU 12 N 0.33 4.75 0.06 1.61 0.41 -1.26 -0.69 118.70 123.91 1wtq s GLU 12 Ca 0.06 1.51 0.02 0.00 -0.41 0.00 0.00 54.97 56.15 1wtq s GLU 12 Cb -0.12 -3.32 -0.03 0.00 -1.78 0.00 0.00 34.13 28.88 1wtq s GLU 12 CO -0.01 0.32 -0.07 0.15 -0.49 0.00 0.00 175.26 175.16 1wtq s LYS 13 N -0.57 0.65 -0.03 1.61 -0.14 0.47 -4.95 119.74 116.78 1wtq s LYS 13 Ca 0.45 -1.02 0.02 0.00 -1.36 0.00 0.00 55.97 54.05 1wtq s LYS 13 Cb -0.25 -0.20 0.01 0.00 -1.68 0.00 0.00 37.83 35.71 1wtq s LYS 13 CO 0.32 0.00 -0.06 -1.83 -0.76 0.00 0.00 175.35 173.02 1wtq s GLU 14 N -2.68 0.77 -0.05 1.68 1.03 -1.26 -1.87 118.70 116.33 1wtq s GLU 14 Ca -0.00 -0.18 0.01 0.00 0.03 0.00 0.00 54.97 54.83 1wtq s GLU 14 Cb -0.02 -0.75 0.02 0.00 -0.80 0.00 0.00 34.13 32.57 1wtq s GLU 14 CO -0.03 0.02 -0.05 0.54 -1.33 0.00 0.00 175.26 174.41 1wtq s VAL 15 N 0.48 0.57 0.30 1.83 0.11 -0.19 -4.92 120.40 118.58 1wtq s VAL 15 Ca -0.06 -0.14 -0.29 0.00 -2.93 0.00 0.00 61.98 58.55 1wtq s VAL 15 Cb -0.10 -0.59 -0.10 0.00 -1.53 0.00 0.00 36.38 34.06 1wtq s VAL 15 CO 0.00 0.23 1.27 -0.62 -3.33 0.00 0.00 175.10 172.66 1wtq s ASP 16 N 0.91 6.88 0.57 3.54 2.15 -1.26 -0.45 116.67 129.00 1wtq s ASP 16 Ca -0.11 2.57 0.30 0.00 0.43 0.00 0.00 52.55 55.74 1wtq s ASP 16 Cb -0.14 -2.64 1.71 0.00 -0.30 0.00 0.00 42.92 41.55 1wtq s ASP 16 CO 0.00 -0.47 2.19 0.71 -0.17 0.00 0.00 175.17 177.44 1wtq h THR 17 N 3.16 0.51 0.00 1.71 1.35 -1.69 -0.37 112.91 117.58 1wtq h THR 17 Ca -0.48 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1wtq h THR 17 Cb 1.22 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1wtq h THR 17 CO 0.68 0.05 0.00 0.77 -0.25 0.00 0.00 175.52 176.76 1wtq h SER 18 N 0.00 0.00 -0.02 5.36 4.64 -1.90 -0.91 113.55 120.72 1wtq h SER 18 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wtq h SER 18 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1wtq h SER 18 CO 0.01 0.00 -0.34 0.29 -0.87 0.00 0.00 176.83 175.92 1wtq n LYS 19 N -2.68 1.51 -2.74 4.77 4.76 -0.15 -4.95 118.16 118.67 1wtq n LYS 19 Ca -0.01 -1.11 -0.39 0.00 -2.87 0.00 0.00 58.31 53.92 1wtq n LYS 19 Cb 0.10 -1.41 -0.06 0.00 -1.84 0.00 0.00 35.03 31.83 1wtq n LYS 19 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1wtq s ILE 20 N -2.17 4.08 0.00 -0.18 1.01 -0.35 -0.85 121.20 122.73 1wtq s ILE 20 Ca 0.18 1.99 0.00 0.00 0.00 0.00 0.00 60.65 62.82 1wtq s ILE 20 Cb 0.17 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1wtq s ILE 20 CO 0.46 0.40 0.00 0.29 0.00 0.00 0.00 174.94 176.09 1wtq n LYS 21 N 1.22 0.00 -2.99 2.79 5.02 0.04 -4.94 118.16 119.29 1wtq n LYS 21 Ca -0.01 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.89 1wtq n LYS 21 Cb 0.48 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.43 1wtq n LYS 21 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1wtq s LYS 22 N 0.00 4.54 -0.02 1.97 1.02 -1.25 -4.88 119.74 121.12 1wtq s LYS 22 Ca 0.00 1.13 0.01 0.00 0.02 0.00 0.00 55.97 57.13 1wtq s LYS 22 Cb 0.00 -3.28 0.01 0.00 -0.52 0.00 0.00 37.83 34.04 1wtq s LYS 22 CO 0.00 0.51 -0.04 0.08 -0.92 0.00 0.00 175.35 174.98 1wtq s VAL 23 N -0.91 0.45 0.19 3.17 1.01 -1.26 -0.56 120.40 122.49 1wtq s VAL 23 Ca 0.36 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 1wtq s VAL 23 Cb -0.22 -0.44 -0.00 0.00 0.00 0.00 0.00 36.38 35.71 1wtq s VAL 23 CO 0.25 0.17 0.37 -1.66 0.00 0.00 0.00 175.10 174.23 1wtq s TRP 24 N 0.44 0.32 -0.14 5.22 -2.14 0.09 -4.81 118.94 117.91 1wtq s TRP 24 Ca -0.05 -0.67 -0.05 0.00 2.66 0.00 0.00 56.10 57.99 1wtq s TRP 24 Cb -0.09 0.06 -0.03 0.00 -3.10 0.00 0.00 33.47 30.31 1wtq s TRP 24 CO -0.00 -0.81 0.02 0.50 -2.66 0.00 0.00 176.95 173.99 1wtq s ARG 25 N -3.97 3.59 -0.23 3.25 3.52 -1.26 -0.70 118.95 123.15 1wtq s ARG 25 Ca 0.17 -0.40 -0.01 0.00 -0.13 0.00 0.00 55.73 55.36 1wtq s ARG 25 Cb 0.02 -3.01 0.07 0.00 -1.56 0.00 0.00 34.95 30.47 1wtq s ARG 25 CO 0.02 0.41 0.01 0.08 -0.81 0.00 0.00 175.30 175.00 1wtq s VAL 26 N -0.04 0.97 0.00 7.11 1.01 -0.34 -4.97 120.40 124.14 1wtq s VAL 26 Ca 0.04 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1wtq s VAL 26 Cb -0.13 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1wtq s VAL 26 CO 0.02 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.49 1wtq n GLY 27 N 4.87 3.83 1.64 4.51 0.00 -1.26 -0.93 105.19 117.85 1wtq n GLY 27 Ca -0.09 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.07 1wtq n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wtq n LYS 28 N 14.00 4.31 -4.41 1.61 5.02 -1.26 -4.96 118.16 132.47 1wtq n LYS 28 Ca 0.00 -3.04 -0.20 0.00 -2.02 0.00 0.00 58.31 53.04 1wtq n LYS 28 Cb 0.00 -2.10 -0.10 0.00 -0.02 0.00 0.00 35.03 32.80 1wtq n LYS 28 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1wtq s PHE 29 N -2.56 1.88 -0.15 2.13 -0.12 -0.11 -1.39 117.98 117.66 1wtq s PHE 29 Ca 0.51 -0.75 0.01 0.00 -0.05 0.00 0.00 56.93 56.65 1wtq s PHE 29 Cb 0.38 -1.08 -0.00 0.00 -0.63 0.00 0.00 43.02 41.69 1wtq s PHE 29 CO 0.17 0.21 -0.16 0.08 -0.05 0.00 0.00 175.22 175.46 1wtq s VAL 30 N -3.10 2.61 0.12 -2.49 1.01 0.38 -1.20 120.40 117.74 1wtq s VAL 30 Ca 0.29 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1wtq s VAL 30 Cb 0.04 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1wtq s VAL 30 CO 0.11 0.52 -0.09 -0.55 0.00 0.00 0.00 175.10 175.10 1wtq s SER 31 N 0.71 4.43 0.24 3.32 0.15 0.12 -1.16 113.70 121.52 1wtq s SER 31 Ca -0.07 -0.41 -0.20 0.00 0.70 0.00 0.00 55.95 55.96 1wtq s SER 31 Cb -0.16 -0.85 0.03 0.00 -1.71 0.00 0.00 66.02 63.34 1wtq s SER 31 CO 0.01 0.16 0.65 0.72 1.20 0.00 0.00 173.24 175.98 1wtq s PHE 32 N -1.34 -0.22 0.34 3.44 -0.71 0.06 -0.73 117.98 118.82 1wtq s PHE 32 Ca 0.23 -0.17 0.09 0.00 -1.04 0.00 0.00 56.93 56.04 1wtq s PHE 32 Cb -0.11 0.60 -0.05 0.00 -1.21 0.00 0.00 43.02 42.25 1wtq s PHE 32 CO 0.15 -1.10 0.03 0.95 -1.34 0.00 0.00 175.22 173.91 1wtq s THR 33 N -3.88 2.64 0.10 -4.49 -4.23 0.28 -1.92 115.64 104.13 1wtq s THR 33 Ca 0.09 -1.93 -0.20 0.00 -1.18 0.00 0.00 61.69 58.47 1wtq s THR 33 Cb -0.04 -2.83 0.05 0.00 1.34 0.00 0.00 72.50 71.02 1wtq s THR 33 CO 0.02 -0.19 0.49 -0.72 -0.54 0.00 0.00 174.62 173.67 1wtq s TYR 34 N -2.52 -0.36 -0.24 3.99 1.13 -0.29 -0.78 117.35 118.29 1wtq s TYR 34 Ca 0.35 0.20 -0.28 0.00 -1.41 0.00 0.00 57.07 55.93 1wtq s TYR 34 Cb 0.00 0.35 0.01 0.00 -1.10 0.00 0.00 41.96 41.22 1wtq s TYR 34 CO 0.20 -0.71 1.00 -0.51 -2.51 0.00 0.00 175.55 173.02 1wtq s ASP 35 N -2.47 7.04 -0.69 -0.18 1.01 -0.03 -0.59 116.67 120.76 1wtq s ASP 35 Ca -0.01 1.30 0.04 0.00 0.71 0.00 0.00 52.55 54.60 1wtq s ASP 35 Cb 0.00 -2.52 0.29 0.00 1.01 0.00 0.00 42.92 41.70 1wtq s ASP 35 CO -0.08 -0.65 0.95 -0.67 0.21 0.00 0.00 175.17 174.93 1wtq n ASP 36 N 6.29 4.49 -3.55 0.27 2.03 0.12 -4.88 116.55 121.33 1wtq n ASP 36 Ca 0.11 -3.54 -0.26 0.00 0.52 0.00 0.00 54.79 51.61 1wtq n ASP 36 Cb 0.46 -0.72 0.02 0.00 -0.72 0.00 0.00 41.12 40.16 1wtq n ASP 36 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1wtq n ASN 37 N 0.47 -5.60 0.00 1.67 6.94 -1.26 -2.90 115.26 114.58 1wtq n ASN 37 Ca 0.31 -0.48 0.00 0.00 -0.02 0.00 0.00 54.58 54.39 1wtq n ASN 37 Cb 0.39 -2.29 0.00 0.00 -2.36 0.00 0.00 39.78 35.51 1wtq n ASN 37 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wtq n GLY 38 N -1.03 0.81 3.25 4.83 0.00 -1.26 -5.03 105.19 106.76 1wtq n GLY 38 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1wtq n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wtq s LYS 39 N -0.73 0.97 -0.33 1.61 -2.85 -1.14 -5.13 119.74 112.14 1wtq s LYS 39 Ca 0.00 -1.09 -0.14 0.00 -1.00 0.00 0.00 55.97 53.74 1wtq s LYS 39 Cb 0.00 0.34 -0.02 0.00 -2.06 0.00 0.00 37.83 36.09 1wtq s LYS 39 CO 0.00 -0.32 0.30 0.99 0.10 0.00 0.00 175.35 176.41 1wtq s THR 40 N -3.92 5.23 0.59 3.79 2.01 -1.26 0.15 115.64 122.22 1wtq s THR 40 Ca 0.11 -0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.08 1wtq s THR 40 Cb 0.05 -3.74 0.04 0.00 0.01 0.00 0.00 72.50 68.85 1wtq s THR 40 CO -0.06 -0.01 0.84 -0.83 -0.69 0.00 0.00 174.62 173.87 1wtq s GLY 41 N 1.73 1.76 0.08 4.40 0.00 0.24 -4.88 107.32 110.64 1wtq s GLY 41 Ca 0.09 -1.16 0.06 0.00 0.00 0.00 0.00 44.72 43.71 1wtq s GLY 41 CO 0.11 -0.85 -0.17 0.50 0.00 0.00 0.00 173.10 172.69 1wtq s ARG 42 N -4.89 0.94 0.25 2.90 0.52 -1.26 -1.14 118.95 116.27 1wtq s ARG 42 Ca 0.57 -1.00 -0.21 0.00 -0.52 0.00 0.00 55.73 54.57 1wtq s ARG 42 Cb -0.10 -1.04 0.03 0.00 0.52 0.00 0.00 34.95 34.35 1wtq s ARG 42 CO 0.40 0.24 0.67 0.20 0.02 0.00 0.00 175.30 176.83 1wtq s GLY 43 N -1.72 -0.16 -0.15 -3.53 0.00 -0.81 -4.97 107.32 95.98 1wtq s GLY 43 Ca 0.01 -0.18 -0.25 0.00 0.00 0.00 0.00 44.72 44.30 1wtq s GLY 43 CO 0.03 -0.09 0.63 0.00 0.00 0.00 0.00 173.10 173.67 1wtq s ALA 44 N -3.89 -1.59 0.03 3.20 0.00 -1.26 -0.76 121.76 117.50 1wtq s ALA 44 Ca 0.10 1.49 -0.01 0.00 0.00 0.00 0.00 51.96 53.53 1wtq s ALA 44 Cb -0.04 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1wtq s ALA 44 CO 0.03 -0.33 -0.01 0.14 0.00 0.00 0.00 175.76 175.59 1wtq s VAL 45 N -0.41 0.16 0.55 0.00 -7.23 -0.31 -4.78 120.40 108.39 1wtq s VAL 45 Ca -0.06 -1.28 -0.21 0.00 -1.81 0.00 0.00 61.98 58.62 1wtq s VAL 45 Cb -0.03 -0.84 -0.05 0.00 0.56 0.00 0.00 36.38 36.03 1wtq s VAL 45 CO 0.05 -0.71 1.29 -0.94 -0.31 0.00 0.00 175.10 174.48 1wtq s SER 46 N -2.12 5.33 0.44 4.85 1.04 -1.26 -0.47 113.70 121.51 1wtq s SER 46 Ca -0.06 2.60 0.11 0.00 0.48 0.00 0.00 55.95 59.08 1wtq s SER 46 Cb -0.02 -2.62 0.97 0.00 0.10 0.00 0.00 66.02 64.45 1wtq s SER 46 CO -0.05 -1.51 2.05 -0.08 0.98 0.00 0.00 173.24 174.63 1wtq h GLU 47 N 1.36 0.29 0.00 4.02 4.81 -1.53 -0.99 114.58 122.54 1wtq h GLU 47 Ca -0.51 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 1wtq h GLU 47 Cb 1.29 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1wtq h GLU 47 CO 0.57 0.25 -0.18 1.57 -0.73 0.00 0.00 179.01 180.48 1wtq h LYS 48 N 0.30 0.00 -0.01 1.92 2.10 -1.90 -2.98 116.57 115.99 1wtq h LYS 48 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1wtq h LYS 48 Cb 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 1wtq h LYS 48 CO -0.01 0.18 -0.54 -0.25 -2.00 0.00 0.00 179.45 176.83 1wtq n ASP 49 N -3.27 1.79 -4.73 7.07 8.00 -0.76 -4.99 116.55 119.64 1wtq n ASP 49 Ca 0.01 -1.38 -0.41 0.00 0.71 0.00 0.00 54.79 53.72 1wtq n ASP 49 Cb 0.45 0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 42.05 1wtq n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wtq s ALA 50 N -2.57 3.49 0.68 2.24 0.00 -0.45 -4.93 121.76 120.23 1wtq s ALA 50 Ca 0.17 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 53.02 1wtq s ALA 50 Cb 0.18 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.85 1wtq s ALA 50 CO 0.62 -0.49 1.17 -1.25 0.00 0.00 0.00 175.76 175.81 1wtq s PRO 51 N 0.05 2.51 0.27 0.00 0.04 -1.26 -4.77 135.00 131.84 1wtq s PRO 51 Ca 0.56 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1wtq s PRO 51 Cb -0.35 -1.89 0.58 0.00 0.04 0.00 0.00 34.50 32.87 1wtq s PRO 51 CO 0.36 -1.52 1.76 -0.22 0.04 0.00 0.00 177.00 177.42 1wtq h LYS 52 N -0.00 0.59 -0.32 4.56 3.64 -1.99 0.15 116.57 123.20 1wtq h LYS 52 Ca -0.48 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.82 1wtq h LYS 52 Cb 1.28 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1wtq h LYS 52 CO 0.52 0.39 -0.00 1.49 -2.27 0.00 0.00 179.45 179.58 1wtq h GLU 53 N 0.61 0.49 -0.28 1.90 4.81 -1.99 -0.04 114.58 120.08 1wtq h GLU 53 Ca 0.49 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 59.44 1wtq h GLU 53 Cb 0.72 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1wtq h GLU 53 CO -0.38 0.52 -0.52 1.25 -0.73 0.00 0.00 179.01 179.15 1wtq h LEU 54 N 0.47 0.87 -1.21 1.64 5.85 -1.09 -1.59 115.31 120.26 1wtq h LEU 54 Ca 0.10 -0.45 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 1wtq h LEU 54 Cb 0.32 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1wtq h LEU 54 CO 0.01 1.23 0.01 -0.07 -0.34 0.00 0.00 178.44 179.28 1wtq h LEU 55 N 0.62 0.52 -0.63 2.25 3.38 -0.73 -0.78 115.31 119.93 1wtq h LEU 55 Ca 0.02 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 1wtq h LEU 55 Cb 1.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1wtq h LEU 55 CO 0.11 0.58 -0.65 0.44 0.09 0.00 0.00 178.44 179.01 1wtq h ASP 56 N 0.53 0.18 -0.50 -0.43 3.32 -0.79 -0.52 116.42 118.21 1wtq h ASP 56 Ca 0.11 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1wtq h ASP 56 Cb 0.33 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1wtq h ASP 56 CO 0.01 0.78 -0.00 0.24 -1.72 0.00 0.00 179.24 178.54 1wtq h MET 57 N 0.11 0.94 -0.19 3.56 2.86 -0.70 -1.09 114.93 120.42 1wtq h MET 57 Ca -0.01 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1wtq h MET 57 Cb 1.16 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 1wtq h MET 57 CO 0.10 0.93 0.07 1.25 1.06 0.00 0.00 176.91 180.32 1wtq h LEU 58 N 0.87 0.26 -0.68 1.22 5.85 -0.78 0.24 115.31 122.29 1wtq h LEU 58 Ca 0.16 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1wtq h LEU 58 Cb 0.52 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 1wtq h LEU 58 CO 0.03 0.37 0.36 0.00 -0.34 0.00 0.00 178.44 178.86 1wtq h ALA 59 N 0.90 0.93 -0.59 1.25 0.00 -0.79 -0.90 119.26 120.06 1wtq h ALA 59 Ca 0.06 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1wtq h ALA 59 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1wtq h ALA 59 CO -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 179.25 179.23 1wtq h ARG 60 N 0.64 1.04 -0.21 0.00 3.08 -0.76 -1.98 114.38 116.19 1wtq h ARG 60 Ca 0.32 -0.33 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 1wtq h ARG 60 Cb 0.27 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1wtq h ARG 60 CO -0.22 1.03 -0.23 0.00 -1.07 0.00 0.00 179.97 179.47 1wtq h ALA 61 N 1.02 1.22 -0.21 0.04 0.00 -0.27 -2.29 119.26 118.77 1wtq h ALA 61 Ca 0.17 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1wtq h ALA 61 Cb 0.57 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1wtq h ALA 61 CO 0.03 0.51 -0.56 0.93 0.00 0.00 0.00 179.25 180.16 1wtq h GLU 62 N 0.34 0.64 -0.32 0.00 5.08 -0.83 -2.65 114.58 116.84 1wtq h GLU 62 Ca 0.06 -0.41 -0.08 0.00 -1.00 0.00 0.00 59.36 57.93 1wtq h GLU 62 Cb 0.60 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1wtq h GLU 62 CO 0.04 1.03 -0.14 0.00 -1.00 0.00 0.00 179.01 178.94 1wtq h ARG 63 N 0.49 0.57 0.00 2.33 3.08 -1.16 -1.70 114.38 117.99 1wtq h ARG 63 Ca 0.01 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1wtq h ARG 63 Cb 1.12 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1wtq h ARG 63 CO 0.11 0.69 0.08 0.39 -1.07 0.00 0.00 179.97 180.17 1wtq n GLU 64 N -4.18 0.00 0.00 0.04 1.02 -0.88 -5.12 120.64 111.51 1wtq n GLU 64 Ca 0.01 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 1wtq n GLU 64 Cb 0.34 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1wtq n GLU 64 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48