#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulr s ARG 3 N 0.00 3.26 -0.18 0.54 3.52 -0.15 -1.58 118.95 124.35 1ulr s ARG 3 Ca 0.00 -0.56 -0.06 0.00 -0.13 0.00 0.00 55.73 54.98 1ulr s ARG 3 Cb 0.00 -2.74 -0.04 0.00 -1.56 0.00 0.00 34.95 30.62 1ulr s ARG 3 CO 0.00 0.41 0.04 -1.17 -0.81 0.00 0.00 175.30 173.76 1ulr s LEU 4 N -0.11 3.61 -0.22 -0.88 2.96 0.90 -0.62 118.68 124.32 1ulr s LEU 4 Ca 0.01 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1ulr s LEU 4 Cb -0.13 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.68 1ulr s LEU 4 CO 0.03 0.14 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.37 1ulr s VAL 5 N 0.55 2.31 -0.03 1.68 1.01 -0.37 -1.35 120.40 124.20 1ulr s VAL 5 Ca 0.01 -1.12 0.07 0.00 0.00 0.00 0.00 61.98 60.94 1ulr s VAL 5 Cb -0.13 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1ulr s VAL 5 CO 0.02 0.32 -0.23 0.00 0.00 0.00 0.00 175.10 175.20 1ulr s ALA 6 N 1.26 1.96 -0.32 5.51 0.00 0.79 -1.05 121.76 129.91 1ulr s ALA 6 Ca 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 1ulr s ALA 6 Cb -0.16 -0.52 0.05 0.00 0.00 0.00 0.00 23.12 22.49 1ulr s ALA 6 CO -0.09 0.46 0.04 -1.17 0.00 0.00 0.00 175.76 175.00 1ulr s LEU 7 N -0.46 4.10 -0.20 0.00 2.96 0.14 -1.29 118.68 123.93 1ulr s LEU 7 Ca 0.06 -1.29 -0.14 0.00 -0.22 0.00 0.00 54.13 52.54 1ulr s LEU 7 Cb -0.10 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1ulr s LEU 7 CO -0.00 -0.30 0.31 -0.69 -1.32 0.00 0.00 176.35 174.36 1ulr s VAL 8 N 1.28 5.27 0.11 1.68 1.01 0.22 -1.33 120.40 128.64 1ulr s VAL 8 Ca -0.03 0.55 0.10 0.00 0.00 0.00 0.00 61.98 62.59 1ulr s VAL 8 Cb -0.20 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1ulr s VAL 8 CO -0.00 0.31 -0.26 -0.54 0.00 0.00 0.00 175.10 174.61 1ulr s LYS 9 N 0.99 1.40 0.00 2.72 1.02 -0.34 -1.41 119.74 124.12 1ulr s LYS 9 Ca 0.16 -1.27 0.00 0.00 0.02 0.00 0.00 55.97 54.87 1ulr s LYS 9 Cb -0.14 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1ulr s LYS 9 CO 0.06 0.43 0.00 0.41 -0.92 0.00 0.00 175.35 175.33 1ulr n GLY 10 N 1.08 0.52 3.44 -3.33 0.00 -1.26 -0.06 105.19 105.58 1ulr n GLY 10 Ca -0.18 -1.83 -0.44 0.00 0.00 0.00 0.00 46.02 43.57 1ulr n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ulr s ARG 11 N -1.06 3.75 0.00 1.61 3.52 -0.07 -4.71 118.95 121.98 1ulr s ARG 11 Ca 0.00 -2.09 0.00 0.00 -0.13 0.00 0.00 55.73 53.51 1ulr s ARG 11 Cb 0.00 -4.89 0.00 0.00 -1.56 0.00 0.00 34.95 28.50 1ulr s ARG 11 CO 0.00 -1.70 0.24 1.33 -0.81 0.00 0.00 175.30 174.35 1ulr n VAL 12 N 5.02 0.00 -4.31 7.11 0.24 -1.26 -1.32 118.33 123.81 1ulr n VAL 12 Ca 0.26 -0.25 -0.31 0.00 -2.04 0.00 0.00 64.34 62.01 1ulr n VAL 12 Cb 0.47 1.48 -0.10 0.00 -1.47 0.00 0.00 33.84 34.22 1ulr n VAL 12 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ulr s GLN 13 N -0.02 2.33 -0.15 7.34 -0.21 -1.26 -4.42 119.66 123.27 1ulr s GLN 13 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 55.36 54.49 1ulr s GLN 13 Cb 0.00 -2.40 0.00 0.00 1.00 0.00 0.00 33.01 31.61 1ulr s GLN 13 CO 0.00 0.54 0.00 0.41 -2.12 0.00 0.00 175.29 174.12 1ulr n GLY 14 N 0.99 0.51 0.34 3.09 0.00 -1.26 -4.91 105.19 103.95 1ulr n GLY 14 Ca -0.14 -0.66 0.04 0.00 0.00 0.00 0.00 46.02 45.27 1ulr n GLY 14 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ulr n VAL 15 N -2.92 0.78 -1.73 1.61 0.24 -1.26 -5.00 118.33 110.04 1ulr n VAL 15 Ca -0.01 -0.96 -0.15 0.00 -2.04 0.00 0.00 64.34 61.18 1ulr n VAL 15 Cb 0.06 0.20 -0.04 0.00 -1.47 0.00 0.00 33.84 32.59 1ulr n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ulr n GLY 16 N -0.58 0.88 0.24 7.63 0.00 -1.26 -4.66 105.19 107.43 1ulr n GLY 16 Ca 0.07 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 1ulr n GLY 16 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ulr h TYR 17 N 0.00 0.77 -0.36 1.61 3.20 -1.95 -2.47 116.97 117.77 1ulr h TYR 17 Ca -0.32 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.50 1ulr h TYR 17 Cb 1.06 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 1ulr h TYR 17 CO 0.40 0.61 0.18 0.00 -1.64 0.00 0.00 178.16 177.72 1ulr h ARG 18 N 0.71 0.51 -0.17 1.82 3.08 -1.91 -0.12 114.38 118.30 1ulr h ARG 18 Ca 0.18 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1ulr h ARG 18 Cb 0.14 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1ulr h ARG 18 CO -0.02 0.45 -0.29 0.00 -1.07 0.00 0.00 179.97 179.03 1ulr h ALA 19 N 1.04 1.19 0.02 0.04 0.00 -1.96 -0.32 119.26 119.27 1ulr h ALA 19 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ulr h ALA 19 Cb 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ulr h ALA 19 CO -0.02 0.53 -0.04 0.35 0.00 0.00 0.00 179.25 180.07 1ulr h PHE 20 N 0.28 -0.09 -0.86 0.00 3.57 -1.04 -1.22 116.94 117.59 1ulr h PHE 20 Ca 0.04 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1ulr h PHE 20 Cb 0.67 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 1ulr h PHE 20 CO 0.01 -0.06 0.46 0.00 -2.23 0.00 0.00 178.31 176.49 1ulr h ALA 21 N 0.91 1.10 -0.49 2.41 0.00 -0.66 -2.07 119.26 120.46 1ulr h ALA 21 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ulr h ALA 21 Cb 0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1ulr h ALA 21 CO -0.02 0.62 0.31 0.37 0.00 0.00 0.00 179.25 180.53 1ulr h GLN 22 N 1.20 0.65 -0.31 0.00 4.15 -0.87 0.08 115.11 120.00 1ulr h GLN 22 Ca 0.30 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.65 1ulr h GLN 22 Cb 0.05 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1ulr h GLN 22 CO -0.05 0.45 0.11 -0.22 -1.93 0.00 0.00 178.83 177.19 1ulr h LYS 23 N 0.65 0.47 -0.53 1.69 1.63 -0.93 -1.26 116.57 118.31 1ulr h LYS 23 Ca 0.18 -0.09 -0.07 0.00 -0.85 0.00 0.00 60.65 59.82 1ulr h LYS 23 Cb -0.05 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 1ulr h LYS 23 CO -0.04 0.50 0.06 0.87 -3.45 0.00 0.00 179.45 177.39 1ulr h LYS 24 N 0.35 0.85 -0.13 1.90 1.79 -1.18 -1.67 116.57 118.47 1ulr h LYS 24 Ca 0.10 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 1ulr h LYS 24 Cb 0.21 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1ulr h LYS 24 CO -0.01 0.81 0.03 0.00 -1.08 0.00 0.00 179.45 179.21 1ulr h ALA 25 N 1.26 0.17 -0.17 3.86 0.00 -0.78 -3.01 119.26 120.59 1ulr h ALA 25 Ca 0.16 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1ulr h ALA 25 Cb 0.40 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ulr h ALA 25 CO 0.01 -0.19 -0.30 -0.07 0.00 0.00 0.00 179.25 178.70 1ulr h LEU 26 N 0.00 0.34 -2.01 0.00 3.38 -1.14 -0.29 115.31 115.59 1ulr h LEU 26 Ca 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1ulr h LEU 26 Cb 0.26 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1ulr h LEU 26 CO 0.00 0.64 -0.04 -0.33 0.09 0.00 0.00 178.44 178.79 1ulr h GLU 27 N 0.30 0.00 -0.68 1.13 5.08 -1.26 -2.09 114.58 117.06 1ulr h GLU 27 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1ulr h GLU 27 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1ulr h GLU 27 CO 0.05 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.38 1ulr n LEU 28 N -4.31 3.76 -1.24 1.33 4.77 -0.64 -4.95 117.00 115.72 1ulr n LEU 28 Ca -0.03 -1.86 -0.14 0.00 -0.03 0.00 0.00 56.01 53.96 1ulr n LEU 28 Cb 0.13 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 40.72 1ulr n LEU 28 CO 0.33 0.93 -0.15 0.61 -1.33 0.00 0.00 177.39 177.78 1ulr n GLY 29 N 1.62 0.81 3.88 -0.72 0.00 -0.79 -4.99 105.19 105.00 1ulr n GLY 29 Ca 0.23 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1ulr n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ulr s LEU 30 N -3.41 4.04 0.20 0.99 1.43 -0.21 -4.94 118.68 116.77 1ulr s LEU 30 Ca 0.00 1.00 0.10 0.00 -1.03 0.00 0.00 54.13 54.20 1ulr s LEU 30 Cb 0.00 -3.81 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 1ulr s LEU 30 CO 0.00 -0.21 -0.15 -0.44 0.23 0.00 0.00 176.35 175.78 1ulr s SER 31 N -2.71 3.92 0.00 2.29 0.01 -1.01 -4.37 113.70 111.83 1ulr s SER 31 Ca 0.49 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1ulr s SER 31 Cb -0.11 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.60 1ulr s SER 31 CO 0.25 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.60 1ulr n GLY 32 N -0.02 -0.16 3.48 3.44 0.00 0.03 0.07 105.19 112.02 1ulr n GLY 32 Ca -0.10 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 1ulr n GLY 32 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ulr s TYR 33 N -4.00 -0.45 -0.15 1.61 -0.85 -0.01 -1.62 117.35 111.88 1ulr s TYR 33 Ca 0.00 0.25 -0.01 0.00 -0.52 0.00 0.00 57.07 56.79 1ulr s TYR 33 Cb 0.00 0.56 0.04 0.00 0.38 0.00 0.00 41.96 42.94 1ulr s TYR 33 CO 0.00 -0.76 -0.01 0.00 -1.52 0.00 0.00 175.55 173.26 1ulr s ALA 34 N -3.53 1.11 -0.09 9.51 0.00 -0.63 -0.93 121.76 127.19 1ulr s ALA 34 Ca 0.03 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.43 1ulr s ALA 34 Cb -0.01 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 22.08 1ulr s ALA 34 CO -0.10 -0.81 -0.19 -2.00 0.00 0.00 0.00 175.76 172.66 1ulr s GLU 35 N 1.80 2.48 0.19 0.00 2.12 0.38 -1.36 118.70 124.31 1ulr s GLU 35 Ca 0.01 -0.67 -0.30 0.00 0.36 0.00 0.00 54.97 54.37 1ulr s GLU 35 Cb -0.15 -1.96 -0.09 0.00 0.26 0.00 0.00 34.13 32.19 1ulr s GLU 35 CO -0.07 0.07 1.37 -0.80 -0.54 0.00 0.00 175.26 175.29 1ulr s ASN 36 N 0.60 6.82 0.13 -1.70 0.01 -0.28 -0.85 114.94 119.68 1ulr s ASN 36 Ca -0.14 2.45 0.04 0.00 -0.71 0.00 0.00 52.86 54.49 1ulr s ASN 36 Cb -0.17 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.85 1ulr s ASN 36 CO 0.05 -0.60 0.14 -0.76 -1.51 0.00 0.00 177.10 174.42 1ulr s LEU 37 N 0.17 3.90 0.62 0.60 1.43 0.01 -4.92 118.68 120.49 1ulr s LEU 37 Ca 0.60 -0.04 0.35 0.00 -1.03 0.00 0.00 54.13 54.01 1ulr s LEU 37 Cb -0.38 -2.52 2.06 0.00 0.03 0.00 0.00 46.19 45.37 1ulr s LEU 37 CO 0.37 0.10 2.30 -0.65 0.23 0.00 0.00 176.35 178.70 1ulr h PRO 38 N 2.64 0.00 -0.00 1.29 0.11 -1.96 -2.01 132.00 132.06 1ulr h PRO 38 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ulr h PRO 38 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ulr h PRO 38 CO 0.65 0.00 -0.07 -0.40 -0.21 0.00 0.00 178.00 177.98 1ulr n ASP 39 N -3.55 0.36 0.00 -2.05 5.75 -1.26 -4.91 116.55 110.89 1ulr n ASP 39 Ca -0.03 -0.59 0.00 0.00 -0.01 0.00 0.00 54.79 54.16 1ulr n ASP 39 Cb 0.08 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1ulr n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ulr n GLY 40 N 1.24 0.52 3.92 6.12 0.00 -0.75 -5.09 105.19 111.14 1ulr n GLY 40 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1ulr n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ulr s ARG 41 N -0.79 1.78 -0.06 1.61 0.52 -1.26 -4.34 118.95 116.42 1ulr s ARG 41 Ca 0.00 -0.16 0.02 0.00 -0.52 0.00 0.00 55.73 55.07 1ulr s ARG 41 Cb 0.00 -2.02 0.02 0.00 0.52 0.00 0.00 34.95 33.47 1ulr s ARG 41 CO 0.00 -1.63 -0.09 0.08 0.02 0.00 0.00 175.30 173.68 1ulr s VAL 42 N -3.51 0.92 -0.24 3.52 1.01 -0.50 -0.81 120.40 120.79 1ulr s VAL 42 Ca 0.64 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 62.11 1ulr s VAL 42 Cb -0.09 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1ulr s VAL 42 CO 0.48 0.31 0.44 -0.70 0.00 0.00 0.00 175.10 175.64 1ulr s GLU 43 N 0.81 4.10 -0.10 2.72 2.12 -0.03 -0.61 118.70 127.71 1ulr s GLU 43 Ca -0.12 0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.47 1ulr s GLU 43 Cb -0.15 -3.61 0.01 0.00 0.26 0.00 0.00 34.13 30.64 1ulr s GLU 43 CO 0.02 -0.21 -0.21 0.08 -0.54 0.00 0.00 175.26 174.40 1ulr s VAL 44 N 1.85 1.87 -0.04 3.70 1.01 -0.41 -0.47 120.40 127.91 1ulr s VAL 44 Ca 0.19 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1ulr s VAL 44 Cb -0.15 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1ulr s VAL 44 CO 0.09 0.52 -0.21 -0.69 0.00 0.00 0.00 175.10 174.81 1ulr s VAL 45 N 0.55 1.73 -0.01 2.92 1.01 -0.10 -0.15 120.40 126.35 1ulr s VAL 45 Ca -0.15 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 1ulr s VAL 45 Cb -0.17 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1ulr s VAL 45 CO 0.05 0.49 0.09 0.00 0.00 0.00 0.00 175.10 175.72 1ulr s ALA 46 N -0.15 -0.20 -0.03 5.51 0.00 -0.46 -0.83 121.76 125.60 1ulr s ALA 46 Ca -0.01 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 51.93 1ulr s ALA 46 Cb -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1ulr s ALA 46 CO 0.02 -0.13 -0.13 -1.21 0.00 0.00 0.00 175.76 174.31 1ulr s GLU 47 N -0.78 1.35 0.00 0.00 2.02 0.11 -0.07 118.70 121.34 1ulr s GLU 47 Ca -0.09 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.45 1ulr s GLU 47 Cb -0.05 -1.21 0.00 0.00 0.10 0.00 0.00 34.13 32.97 1ulr s GLU 47 CO 0.00 0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.87 1ulr n GLY 48 N 3.22 -1.38 3.74 -1.39 0.00 -0.62 -2.40 105.19 106.36 1ulr n GLY 48 Ca -0.18 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 1ulr n GLY 48 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ulr n PRO 49 N 0.00 2.02 -0.21 1.61 -0.02 -1.26 -1.06 135.00 136.07 1ulr n PRO 49 Ca 0.00 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1ulr n PRO 49 Cb 0.00 -2.54 0.11 0.00 -0.02 0.00 0.00 33.50 31.05 1ulr n PRO 49 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1ulr h LYS 50 N 2.02 0.44 -0.46 -0.52 1.63 -1.98 -0.24 116.57 117.45 1ulr h LYS 50 Ca -0.50 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.27 1ulr h LYS 50 Cb 1.29 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.79 1ulr h LYS 50 CO 0.60 0.29 0.28 0.93 -3.45 0.00 0.00 179.45 178.10 1ulr h GLU 51 N 0.46 0.62 -0.75 1.90 5.08 -1.99 -0.18 114.58 119.71 1ulr h GLU 51 Ca 0.31 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1ulr h GLU 51 Cb 0.37 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1ulr h GLU 51 CO -0.29 0.45 0.44 0.00 -1.00 0.00 0.00 179.01 178.61 1ulr h ALA 52 N 1.14 0.96 -0.41 3.43 0.00 -1.80 -2.24 119.26 120.33 1ulr h ALA 52 Ca 0.17 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1ulr h ALA 52 Cb -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1ulr h ALA 52 CO -0.03 0.45 0.01 -0.07 0.00 0.00 0.00 179.25 179.61 1ulr h LEU 53 N 1.04 0.62 -0.59 0.00 3.38 -0.66 -0.57 115.31 118.52 1ulr h LEU 53 Ca 0.27 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 1ulr h LEU 53 Cb -0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1ulr h LEU 53 CO -0.05 0.69 -0.45 -0.33 0.09 0.00 0.00 178.44 178.38 1ulr h GLU 54 N 0.62 0.59 -0.41 1.13 5.08 -0.82 0.14 114.58 120.93 1ulr h GLU 54 Ca 0.13 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1ulr h GLU 54 Cb 0.38 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1ulr h GLU 54 CO 0.01 0.93 0.10 1.25 -1.00 0.00 0.00 179.01 180.30 1ulr h LEU 55 N 0.48 0.62 -0.52 1.33 5.85 -1.09 -0.76 115.31 121.22 1ulr h LEU 55 Ca 0.03 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1ulr h LEU 55 Cb 0.98 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1ulr h LEU 55 CO 0.09 0.69 0.29 0.15 -0.34 0.00 0.00 178.44 179.32 1ulr h PHE 56 N 0.52 0.54 -0.82 1.25 3.57 -0.95 -2.12 116.94 118.93 1ulr h PHE 56 Ca 0.13 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1ulr h PHE 56 Cb 0.31 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 1ulr h PHE 56 CO 0.02 0.29 0.49 1.25 -2.23 0.00 0.00 178.31 178.13 1ulr h LEU 57 N 0.57 0.97 -0.70 0.59 5.85 -0.49 -0.42 115.31 121.69 1ulr h LEU 57 Ca 0.22 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.97 1ulr h LEU 57 Cb 0.08 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 1ulr h LEU 57 CO -0.13 0.75 0.37 -0.74 -0.34 0.00 0.00 178.44 178.35 1ulr h HIS 58 N 1.12 0.66 -0.64 1.25 2.76 -0.61 -1.46 115.15 118.24 1ulr h HIS 58 Ca 0.29 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.43 1ulr h HIS 58 Cb -0.05 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 28.69 1ulr h HIS 58 CO 0.00 0.27 0.17 0.45 -1.30 0.00 0.00 177.93 177.52 1ulr h HIS 59 N 0.64 1.06 -0.34 5.26 3.86 -0.59 -2.87 115.15 122.17 1ulr h HIS 59 Ca 0.33 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1ulr h HIS 59 Cb 0.30 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1ulr h HIS 59 CO -0.09 0.88 0.22 -0.07 0.86 0.00 0.00 177.93 179.73 1ulr h LEU 60 N 0.93 0.39 -0.45 2.43 3.38 -0.32 0.04 115.31 121.71 1ulr h LEU 60 Ca 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1ulr h LEU 60 Cb 0.34 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ulr h LEU 60 CO -0.00 0.28 0.00 0.29 0.09 0.00 0.00 178.44 179.10 1ulr n LYS 61 N -4.49 0.19 -0.12 1.13 5.02 -0.63 -3.82 118.16 115.46 1ulr n LYS 61 Ca 0.02 0.34 -0.24 0.00 -2.02 0.00 0.00 58.31 56.41 1ulr n LYS 61 Cb 0.07 -1.82 -0.08 0.00 -0.02 0.00 0.00 35.03 33.18 1ulr n LYS 61 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1ulr n GLN 62 N -2.17 0.50 -0.55 1.97 1.13 -0.28 -4.63 117.38 113.35 1ulr n GLN 62 Ca 0.03 0.22 0.07 0.00 -1.94 0.00 0.00 57.00 55.38 1ulr n GLN 62 Cb 0.28 -1.34 -0.02 0.00 0.11 0.00 0.00 30.24 29.27 1ulr n GLN 62 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ulr n GLY 63 N 1.53 -1.77 3.66 1.08 0.00 -0.16 -4.48 105.19 105.05 1ulr n GLY 63 Ca -0.44 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 1ulr n GLY 63 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ulr s PRO 64 N -1.85 0.12 0.61 1.61 0.04 -1.26 -4.89 135.00 129.38 1ulr s PRO 64 Ca 0.00 0.43 0.38 0.00 0.04 0.00 0.00 61.00 61.85 1ulr s PRO 64 Cb 0.00 -1.71 1.93 0.00 0.04 0.00 0.00 34.50 34.76 1ulr s PRO 64 CO 0.00 -2.92 2.21 0.07 0.04 0.00 0.00 177.00 176.40 1ulr h ARG 65 N -2.03 0.00 -0.00 4.56 0.11 -1.90 -1.28 114.38 113.84 1ulr h ARG 65 Ca -0.54 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.54 1ulr h ARG 65 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 1ulr h ARG 65 CO 0.55 0.02 -0.48 1.28 0.10 0.00 0.00 179.97 181.44 1ulr n LEU 66 N -3.23 0.90 -4.82 0.08 4.77 -1.26 -4.91 117.00 108.53 1ulr n LEU 66 Ca -0.02 -0.24 -0.32 0.00 -0.03 0.00 0.00 56.01 55.40 1ulr n LEU 66 Cb 0.17 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1ulr n LEU 66 CO 0.24 0.19 0.70 0.00 -1.33 0.00 0.00 177.39 177.20 1ulr s ALA 67 N -2.77 2.87 -0.40 -1.18 0.00 -0.49 -4.97 121.76 114.82 1ulr s ALA 67 Ca 0.16 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.44 1ulr s ALA 67 Cb 0.18 -3.19 0.14 0.00 0.00 0.00 0.00 23.12 20.25 1ulr s ALA 67 CO 0.65 -0.57 0.22 1.03 0.00 0.00 0.00 175.76 177.09 1ulr s ARG 68 N -4.07 0.95 -0.33 0.00 1.81 -0.44 -4.90 118.95 111.98 1ulr s ARG 68 Ca 0.62 -1.69 -0.29 0.00 -1.72 0.00 0.00 55.73 52.65 1ulr s ARG 68 Cb -0.14 -1.87 0.01 0.00 -0.45 0.00 0.00 34.95 32.50 1ulr s ARG 68 CO 0.35 -1.18 1.16 0.08 -0.68 0.00 0.00 175.30 175.03 1ulr s VAL 69 N 0.70 4.35 -0.08 3.52 1.01 -1.26 -0.89 120.40 127.75 1ulr s VAL 69 Ca 0.18 1.53 -0.24 0.00 0.00 0.00 0.00 61.98 63.45 1ulr s VAL 69 Cb -0.24 -4.34 -0.19 0.00 0.00 0.00 0.00 36.38 31.61 1ulr s VAL 69 CO 0.00 -0.53 0.89 -0.33 0.00 0.00 0.00 175.10 175.13 1ulr h GLU 70 N 8.62 -0.08 -2.53 2.72 5.08 -0.82 -3.49 114.58 124.08 1ulr h GLU 70 Ca -0.23 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1ulr h GLU 70 Cb 1.07 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 30.19 1ulr h GLU 70 CO 1.04 0.52 0.25 0.00 -1.00 0.00 0.00 179.01 179.82 1ulr s ALA 71 N -3.30 -1.69 -0.27 3.43 0.00 -1.16 -5.02 121.76 113.75 1ulr s ALA 71 Ca -0.15 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1ulr s ALA 71 Cb -0.00 0.47 0.08 0.00 0.00 0.00 0.00 23.12 23.67 1ulr s ALA 71 CO 0.57 -0.61 0.02 0.08 0.00 0.00 0.00 175.76 175.81 1ulr s VAL 72 N -2.72 1.36 -0.16 0.00 1.01 -1.26 -1.20 120.40 117.43 1ulr s VAL 72 Ca -0.03 -1.38 -0.23 0.00 0.00 0.00 0.00 61.98 60.34 1ulr s VAL 72 Cb -0.01 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1ulr s VAL 72 CO -0.04 -0.35 0.73 -1.61 0.00 0.00 0.00 175.10 173.82 1ulr s GLU 73 N 1.43 4.29 0.12 2.72 2.02 -0.44 -4.87 118.70 123.97 1ulr s GLU 73 Ca 0.02 0.84 0.09 0.00 0.02 0.00 0.00 54.97 55.94 1ulr s GLU 73 Cb -0.18 -3.55 -0.04 0.00 0.10 0.00 0.00 34.13 30.46 1ulr s GLU 73 CO -0.12 -0.22 -0.22 0.14 0.02 0.00 0.00 175.26 174.85 1ulr s VAL 74 N 1.82 1.91 0.06 2.63 -7.23 -1.26 -0.68 120.40 117.65 1ulr s VAL 74 Ca 0.34 -1.69 0.04 0.00 -1.81 0.00 0.00 61.98 58.86 1ulr s VAL 74 Cb -0.16 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 1ulr s VAL 74 CO 0.13 -0.06 -0.11 -1.10 -0.31 0.00 0.00 175.10 173.65 1ulr s GLN 75 N -2.13 0.68 -0.14 4.82 -0.21 -0.22 -5.01 119.66 117.46 1ulr s GLN 75 Ca 0.11 -0.89 -0.03 0.00 0.02 0.00 0.00 55.36 54.56 1ulr s GLN 75 Cb -0.09 -0.53 -0.03 0.00 1.00 0.00 0.00 33.01 33.36 1ulr s GLN 75 CO 0.05 0.11 -0.02 -1.58 -2.12 0.00 0.00 175.29 171.73 1ulr s TRP 76 N -1.49 3.06 0.00 0.91 0.52 -1.26 -1.24 118.94 119.44 1ulr s TRP 76 Ca -0.05 -0.17 0.00 0.00 0.02 0.00 0.00 56.10 55.90 1ulr s TRP 76 Cb -0.09 -1.93 0.00 0.00 -1.15 0.00 0.00 33.47 30.30 1ulr s TRP 76 CO 0.01 0.08 0.00 0.41 0.02 0.00 0.00 176.95 177.47 1ulr n GLY 77 N 3.25 4.96 3.78 0.98 0.00 0.21 -4.98 105.19 113.39 1ulr n GLY 77 Ca -0.17 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 1ulr n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ulr s GLU 78 N 1.28 3.06 0.22 1.61 0.41 -1.26 -0.97 118.70 123.03 1ulr s GLU 78 Ca 0.00 -0.50 -0.30 0.00 -0.41 0.00 0.00 54.97 53.76 1ulr s GLU 78 Cb 0.00 -2.85 -0.09 0.00 -1.78 0.00 0.00 34.13 29.41 1ulr s GLU 78 CO 0.00 0.64 1.35 -1.21 -0.49 0.00 0.00 175.26 175.55 1ulr s GLU 79 N -1.81 4.35 0.00 1.61 2.02 -1.26 -4.47 118.70 119.13 1ulr s GLU 79 Ca 0.24 2.14 0.19 0.00 0.02 0.00 0.00 54.97 57.56 1ulr s GLU 79 Cb -0.12 -3.17 -0.10 0.00 0.10 0.00 0.00 34.13 30.84 1ulr s GLU 79 CO 0.15 -0.31 0.90 0.00 0.02 0.00 0.00 175.26 176.02 1ulr n ALA 80 N 2.53 3.92 -0.35 5.21 0.00 -1.26 -5.00 120.51 125.56 1ulr n ALA 80 Ca 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1ulr n ALA 80 Cb 0.42 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1ulr n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ulr n GLY 81 N 1.38 1.62 3.74 0.00 0.00 -1.26 -5.08 105.19 105.58 1ulr n GLY 81 Ca 0.06 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1ulr n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ulr s LEU 82 N 0.00 3.44 -0.09 0.99 1.43 -1.26 -5.04 118.68 118.15 1ulr s LEU 82 Ca 0.00 2.35 -0.05 0.00 -1.03 0.00 0.00 54.13 55.40 1ulr s LEU 82 Cb 0.00 -4.59 0.04 0.00 0.03 0.00 0.00 46.19 41.67 1ulr s LEU 82 CO 0.00 -1.99 0.22 -0.75 0.23 0.00 0.00 176.35 174.06 1ulr s LYS 83 N -3.73 0.19 0.04 1.70 2.47 -1.26 -4.81 119.74 114.34 1ulr s LYS 83 Ca 0.75 0.45 0.00 0.00 -1.56 0.00 0.00 55.97 55.61 1ulr s LYS 83 Cb -0.29 -0.09 0.00 0.00 -1.46 0.00 0.00 37.83 35.99 1ulr s LYS 83 CO 0.41 -0.14 0.00 0.41 0.16 0.00 0.00 175.35 176.19 1ulr n GLY 84 N 3.98 -1.96 3.05 5.54 0.00 -1.26 -4.81 105.19 109.73 1ulr n GLY 84 Ca -0.23 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.01 1ulr n GLY 84 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ulr s PHE 85 N -2.04 2.27 -0.05 1.61 2.19 -1.26 -0.79 117.98 119.91 1ulr s PHE 85 Ca 0.00 -1.27 0.04 0.00 0.33 0.00 0.00 56.93 56.03 1ulr s PHE 85 Cb 0.00 -1.64 -0.02 0.00 -1.31 0.00 0.00 43.02 40.04 1ulr s PHE 85 CO 0.00 -0.67 -0.16 -1.58 1.83 0.00 0.00 175.22 174.63 1ulr s HIS 86 N 1.38 2.64 0.06 10.12 5.65 -0.64 -4.96 115.29 129.55 1ulr s HIS 86 Ca 0.03 -0.25 0.02 0.00 0.25 0.00 0.00 55.06 55.12 1ulr s HIS 86 Cb -0.13 -1.62 -0.04 0.00 -1.18 0.00 0.00 32.58 29.61 1ulr s HIS 86 CO -0.10 0.12 0.10 0.14 -0.65 0.00 0.00 174.74 174.35 1ulr s VAL 87 N -0.63 4.71 0.00 0.89 -7.23 -1.26 -1.61 120.40 115.27 1ulr s VAL 87 Ca 0.09 -0.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.63 1ulr s VAL 87 Cb -0.11 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.58 1ulr s VAL 87 CO 0.01 0.17 0.00 0.00 -0.31 0.00 0.00 175.10 174.97