#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uxd s GLN 3 N 0.00 0.78 -0.05 5.31 0.74 -1.26 -4.54 119.66 120.63 2uxd s GLN 3 Ca 0.00 0.43 -0.08 0.00 0.05 0.00 0.00 55.36 55.75 2uxd s GLN 3 Cb 0.00 0.37 0.02 0.00 1.10 0.00 0.00 33.01 34.49 2uxd s GLN 3 CO 0.00 -0.17 0.21 0.71 -0.55 0.00 0.00 175.29 175.49 2uxd s TYR 4 N -0.47 -0.17 0.00 1.67 1.51 -1.19 -5.02 117.35 113.68 2uxd s TYR 4 Ca -0.06 0.38 0.00 0.00 -1.01 0.00 0.00 57.07 56.38 2uxd s TYR 4 Cb -0.03 0.05 0.00 0.00 -0.11 0.00 0.00 41.96 41.87 2uxd s TYR 4 CO 0.04 -0.19 0.00 0.98 -1.11 0.00 0.00 175.55 175.27 2uxd n TYR 5 N 2.39 -2.63 0.00 2.71 -0.00 -1.26 -2.62 117.16 115.76 2uxd n TYR 5 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.74 2uxd n TYR 5 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.91 2uxd n TYR 5 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2uxd n GLY 6 N 5.00 -0.94 3.70 2.98 0.00 -1.26 -3.40 105.19 111.28 2uxd n GLY 6 Ca 0.00 0.66 -0.42 0.00 0.00 0.00 0.00 46.02 46.26 2uxd n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uxd s THR 7 N 0.00 3.60 -0.03 2.61 2.01 -1.26 -3.64 115.64 118.93 2uxd s THR 7 Ca 0.00 1.07 0.06 0.00 0.31 0.00 0.00 61.69 63.13 2uxd s THR 7 Cb 0.00 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 2uxd s THR 7 CO 0.00 0.03 -0.21 -0.83 -0.69 0.00 0.00 174.62 172.92 2uxd s GLY 8 N 1.56 1.06 0.04 4.40 0.00 -1.13 -4.37 107.32 108.89 2uxd s GLY 8 Ca 0.64 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 44.49 2uxd s GLY 8 CO 0.28 -0.62 -0.06 0.50 0.00 0.00 0.00 173.10 173.20 2uxd s ARG 9 N -0.27 0.51 -0.29 2.90 0.52 -1.26 -0.25 118.95 120.82 2uxd s ARG 9 Ca 0.02 -0.81 -0.18 0.00 -0.52 0.00 0.00 55.73 54.24 2uxd s ARG 9 Cb -0.10 -0.16 0.13 0.00 0.52 0.00 0.00 34.95 35.33 2uxd s ARG 9 CO 0.01 0.01 0.94 0.50 0.02 0.00 0.00 175.30 176.78 2uxd s ARG 10 N -1.92 0.47 -0.96 3.54 6.06 -0.92 -4.60 118.95 120.63 2uxd s ARG 10 Ca -0.08 0.73 -0.12 0.00 -2.50 0.00 0.00 55.73 53.76 2uxd s ARG 10 Cb -0.07 0.13 0.12 0.00 0.06 0.00 0.00 34.95 35.19 2uxd s ARG 10 CO -0.01 -0.09 0.30 1.17 -2.50 0.00 0.00 175.30 174.18 2uxd n LYS 11 N 3.39 -1.72 -2.04 5.12 4.81 -1.26 -0.77 118.16 125.68 2uxd n LYS 11 Ca -0.17 0.07 -0.04 0.00 -0.87 0.00 0.00 58.31 57.30 2uxd n LYS 11 Cb 0.57 -4.34 0.02 0.00 0.02 0.00 0.00 35.03 31.30 2uxd n LYS 11 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2uxd n GLU 12 N -3.16 -0.66 -3.29 1.64 2.13 -1.26 -4.84 120.64 111.21 2uxd n GLU 12 Ca 0.06 0.38 -0.04 0.00 0.66 0.00 0.00 57.16 58.22 2uxd n GLU 12 Cb 0.44 -2.87 -0.05 0.00 0.27 0.00 0.00 31.44 29.23 2uxd n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2uxd s ALA 13 N -3.10 -1.52 0.02 4.31 0.00 0.05 -3.67 121.76 117.85 2uxd s ALA 13 Ca 0.12 1.27 -0.21 0.00 0.00 0.00 0.00 51.96 53.14 2uxd s ALA 13 Cb -0.02 -1.85 -0.06 0.00 0.00 0.00 0.00 23.12 21.20 2uxd s ALA 13 CO 0.24 -1.28 0.60 0.08 0.00 0.00 0.00 175.76 175.40 2uxd s VAL 14 N 2.66 4.86 -0.33 0.00 1.01 -1.25 -2.16 120.40 125.19 2uxd s VAL 14 Ca 0.15 1.26 -0.01 0.00 0.00 0.00 0.00 61.98 63.38 2uxd s VAL 14 Cb -0.15 -3.94 0.11 0.00 0.00 0.00 0.00 36.38 32.40 2uxd s VAL 14 CO -0.18 0.45 0.15 0.00 0.00 0.00 0.00 175.10 175.52 2uxd s ALA 15 N -0.39 1.17 0.21 5.51 0.00 0.66 -1.62 121.76 127.29 2uxd s ALA 15 Ca 0.31 -1.61 -0.30 0.00 0.00 0.00 0.00 51.96 50.35 2uxd s ALA 15 Cb -0.19 -1.57 -0.09 0.00 0.00 0.00 0.00 23.12 21.27 2uxd s ALA 15 CO 0.18 -1.79 1.39 1.03 0.00 0.00 0.00 175.76 176.56 2uxd s ARG 16 N 1.53 4.32 0.17 0.00 0.52 -1.26 -2.82 118.95 121.41 2uxd s ARG 16 Ca 0.12 2.17 0.10 0.00 -0.52 0.00 0.00 55.73 57.60 2uxd s ARG 16 Cb -0.19 -3.16 -0.04 0.00 0.52 0.00 0.00 34.95 32.07 2uxd s ARG 16 CO -0.21 -0.36 -0.18 0.08 0.02 0.00 0.00 175.30 174.65 2uxd s VAL 17 N 0.24 2.72 -0.26 3.52 1.01 -1.24 -1.86 120.40 124.53 2uxd s VAL 17 Ca 0.59 -1.80 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 2uxd s VAL 17 Cb -0.39 -2.30 0.14 0.00 0.00 0.00 0.00 36.38 33.83 2uxd s VAL 17 CO 0.39 -0.06 0.37 -0.36 0.00 0.00 0.00 175.10 175.43 2uxd s PHE 18 N -1.55 -0.80 -0.29 5.22 2.99 -1.22 -4.11 117.98 118.22 2uxd s PHE 18 Ca 0.21 0.47 -0.10 0.00 0.00 0.00 0.00 56.93 57.52 2uxd s PHE 18 Cb -0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 43.02 42.77 2uxd s PHE 18 CO 0.11 -0.83 0.16 -0.51 -0.00 0.00 0.00 175.22 174.15 2uxd s LEU 19 N 2.50 4.00 -0.01 -0.37 1.43 -1.08 -2.94 118.68 122.22 2uxd s LEU 19 Ca 0.11 -0.31 0.05 0.00 -1.03 0.00 0.00 54.13 52.95 2uxd s LEU 19 Cb -0.14 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 2uxd s LEU 19 CO -0.23 -0.13 -0.17 -0.13 0.23 0.00 0.00 176.35 175.92 2uxd s ARG 20 N 1.67 1.38 0.92 1.70 0.52 -1.26 -3.14 118.95 120.73 2uxd s ARG 20 Ca 0.06 -0.60 -0.16 0.00 -0.52 0.00 0.00 55.73 54.51 2uxd s ARG 20 Cb -0.16 -1.32 -0.08 0.00 0.52 0.00 0.00 34.95 33.90 2uxd s ARG 20 CO 0.08 0.35 -0.25 -2.30 0.02 0.00 0.00 175.30 173.20 2uxd n PRO 21 N 2.70 -0.06 0.00 3.54 -0.02 -1.26 -1.39 135.00 138.51 2uxd n PRO 21 Ca -0.15 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2uxd n PRO 21 Cb 0.54 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 2uxd n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uxd n GLY 22 N 2.62 0.35 0.00 -1.23 0.00 0.26 -4.48 105.19 102.70 2uxd n GLY 22 Ca 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2uxd n GLY 22 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2uxd n ASN 23 N 0.00 0.00 -0.47 1.61 4.05 -1.26 -3.93 115.26 115.26 2uxd n ASN 23 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2uxd n ASN 23 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 2uxd n ASN 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2uxd n GLY 24 N 4.65 0.84 3.30 8.20 0.00 -1.26 -2.27 105.19 118.65 2uxd n GLY 24 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2uxd n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2uxd n LYS 25 N 0.00 0.71 -2.37 1.61 2.85 -1.26 -4.83 118.16 114.87 2uxd n LYS 25 Ca 0.00 -1.38 -0.42 0.00 -1.05 0.00 0.00 58.31 55.46 2uxd n LYS 25 Cb 0.54 -2.68 -0.03 0.00 -0.65 0.00 0.00 35.03 32.22 2uxd n LYS 25 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2uxd s VAL 26 N 6.01 4.09 0.25 0.58 1.01 -1.26 -3.70 120.40 127.37 2uxd s VAL 26 Ca 0.62 1.41 0.08 0.00 0.00 0.00 0.00 61.98 64.09 2uxd s VAL 26 Cb 0.14 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2uxd s VAL 26 CO 0.23 -0.03 0.12 -0.89 0.00 0.00 0.00 175.10 174.54 2uxd s THR 27 N 2.58 4.11 -0.14 3.92 2.01 0.60 -2.79 115.64 125.93 2uxd s THR 27 Ca 0.58 -1.55 -0.06 0.00 0.31 0.00 0.00 61.69 60.98 2uxd s THR 27 Cb -0.26 -3.20 0.07 0.00 0.01 0.00 0.00 72.50 69.11 2uxd s THR 27 CO 0.22 -0.33 0.30 -0.69 -0.69 0.00 0.00 174.62 173.42 2uxd s VAL 28 N -2.15 -0.38 -0.51 3.82 1.01 0.91 -3.00 120.40 120.09 2uxd s VAL 28 Ca 0.32 0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.46 2uxd s VAL 28 Cb -0.08 -0.49 0.06 0.00 0.00 0.00 0.00 36.38 35.88 2uxd s VAL 28 CO 0.23 0.10 0.16 -3.20 0.00 0.00 0.00 175.10 172.39 2uxd n ASN 29 N 5.12 -1.21 0.00 3.32 5.15 0.17 -1.19 115.26 126.62 2uxd n ASN 29 Ca -0.10 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 2uxd n ASN 29 Cb 0.50 -1.15 0.00 0.00 -0.53 0.00 0.00 39.78 38.60 2uxd n ASN 29 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2uxd n GLY 30 N -0.65 2.23 3.77 8.20 0.00 -1.26 -5.04 105.19 112.44 2uxd n GLY 30 Ca 0.03 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 2uxd n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2uxd s GLN 31 N 0.00 2.59 0.71 1.61 -0.21 -0.33 -5.00 119.66 119.03 2uxd s GLN 31 Ca 0.00 1.35 -0.13 0.00 0.02 0.00 0.00 55.36 56.60 2uxd s GLN 31 Cb 0.00 -1.93 0.03 0.00 1.00 0.00 0.00 33.01 32.11 2uxd s GLN 31 CO 0.00 -1.41 1.11 0.34 -2.12 0.00 0.00 175.29 173.21 2uxd s ASP 32 N -2.78 4.78 0.00 5.90 -1.08 -1.26 -0.06 116.67 122.16 2uxd s ASP 32 Ca 0.66 1.96 0.00 0.00 -0.52 0.00 0.00 52.55 54.64 2uxd s ASP 32 Cb -0.20 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.72 2uxd s ASP 32 CO 0.46 -1.85 0.41 0.33 0.52 0.00 0.00 175.17 175.04 2uxd n PHE 33 N -2.89 0.00 0.00 -5.34 7.35 -1.12 -0.51 117.46 114.95 2uxd n PHE 33 Ca 0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 2uxd n PHE 33 Cb 0.52 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.35 2uxd n PHE 33 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2uxd n ASN 34 N -0.85 0.00 -0.19 -2.13 3.02 -1.26 -0.05 115.26 113.80 2uxd n ASN 34 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.57 2uxd n ASN 34 Cb 0.00 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 2uxd n ASN 34 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2uxd n GLU 35 N -0.28 0.87 0.00 3.52 4.07 0.33 -4.57 120.64 124.57 2uxd n GLU 35 Ca 0.00 -1.11 0.00 0.00 -0.06 0.00 0.00 57.16 55.99 2uxd n GLU 35 Cb 0.00 -1.08 0.00 0.00 -0.06 0.00 0.00 31.44 30.30 2uxd n GLU 35 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 2uxd n TYR 36 N 0.08 0.00 -3.38 4.31 9.36 0.93 -4.79 117.16 123.66 2uxd n TYR 36 Ca 0.03 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.91 2uxd n TYR 36 Cb 0.18 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 38.84 2uxd n TYR 36 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2uxd n PHE 37 N -1.80 3.41 -3.47 2.98 0.99 -0.84 -5.06 117.46 113.66 2uxd n PHE 37 Ca 0.00 -3.71 -0.36 0.00 -0.00 0.00 0.00 57.45 53.38 2uxd n PHE 37 Cb 0.37 -0.92 -0.06 0.00 -1.00 0.00 0.00 39.48 37.87 2uxd n PHE 37 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2uxd s GLN 38 N -2.23 3.89 0.00 -1.08 -1.52 -1.26 -4.19 119.66 113.26 2uxd s GLN 38 Ca 0.33 0.36 0.00 0.00 -1.95 0.00 0.00 55.36 54.10 2uxd s GLN 38 Cb 0.05 -3.02 0.00 0.00 -0.22 0.00 0.00 33.01 29.82 2uxd s GLN 38 CO -0.02 0.56 0.00 0.41 -0.25 0.00 0.00 175.29 175.99 2uxd n GLY 39 N 1.06 0.00 3.30 3.09 0.00 -1.26 -4.88 105.19 106.50 2uxd n GLY 39 Ca -0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 2uxd n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2uxd s LEU 40 N 0.00 6.42 0.00 0.99 1.43 -1.26 -4.87 118.68 121.39 2uxd s LEU 40 Ca 0.00 -3.12 0.00 0.00 -1.03 0.00 0.00 54.13 49.98 2uxd s LEU 40 Cb 0.00 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 44.06 2uxd s LEU 40 CO 0.00 -0.42 0.66 0.52 0.23 0.00 0.00 176.35 177.33 2uxd n VAL 41 N 3.34 0.73 0.02 -1.59 0.31 -1.26 -1.92 118.33 117.96 2uxd n VAL 41 Ca 0.18 0.46 -0.01 0.00 -0.01 0.00 0.00 64.34 64.95 2uxd n VAL 41 Cb 0.43 -1.46 -0.00 0.00 -0.91 0.00 0.00 33.84 31.90 2uxd n VAL 41 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2uxd h ARG 42 N 0.00 -0.06 -1.03 5.55 2.47 -1.97 -3.32 114.38 116.02 2uxd h ARG 42 Ca 0.00 0.00 0.35 0.00 -1.26 0.00 0.00 59.98 59.08 2uxd h ARG 42 Cb 0.55 0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 28.78 2uxd h ARG 42 CO 0.00 -0.04 0.67 0.00 0.56 0.00 0.00 179.97 181.16 2uxd n ALA 43 N -2.09 1.02 0.25 0.04 0.00 -0.81 0.40 120.51 119.32 2uxd n ALA 43 Ca -0.01 0.62 0.06 0.00 0.00 0.00 0.00 53.44 54.12 2uxd n ALA 43 Cb 0.02 -0.78 0.34 0.00 0.00 0.00 0.00 19.45 19.03 2uxd n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2uxd h VAL 44 N 0.00 0.00 -0.00 0.00 2.07 -1.69 0.77 116.25 117.40 2uxd h VAL 44 Ca 0.64 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.16 2uxd h VAL 44 Cb 2.11 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2uxd h VAL 44 CO -0.32 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.23 2uxd n ALA 45 N -1.58 2.28 0.16 1.67 0.00 0.16 -4.64 120.51 118.56 2uxd n ALA 45 Ca -0.01 -0.20 0.19 0.00 0.00 0.00 0.00 53.44 53.41 2uxd n ALA 45 Cb 0.58 -0.05 0.73 0.00 0.00 0.00 0.00 19.45 20.72 2uxd n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uxd h ALA 46 N 0.21 1.92 -1.30 0.00 0.00 0.51 0.17 119.26 120.77 2uxd h ALA 46 Ca 0.00 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.21 2uxd h ALA 46 Cb 0.04 0.02 -0.34 0.00 0.00 0.00 0.00 17.79 17.51 2uxd h ALA 46 CO 0.00 -0.62 0.20 1.28 0.00 0.00 0.00 179.25 180.12 2uxd n LEU 47 N -3.42 6.15 -0.04 0.00 4.77 -1.26 -3.59 117.00 119.62 2uxd n LEU 47 Ca 0.05 -5.08 -0.18 0.00 -0.03 0.00 0.00 56.01 50.77 2uxd n LEU 47 Cb 0.60 -0.79 -0.14 0.00 -2.33 0.00 0.00 43.42 40.77 2uxd n LEU 47 CO 0.22 2.01 -0.96 1.21 -1.33 0.00 0.00 177.39 178.55 2uxd n GLU 48 N -0.47 0.71 0.18 3.23 4.07 0.59 -4.26 120.64 124.69 2uxd n GLU 48 Ca 0.46 0.22 0.07 0.00 -0.06 0.00 0.00 57.16 57.85 2uxd n GLU 48 Cb 0.43 -1.65 0.40 0.00 -0.06 0.00 0.00 31.44 30.55 2uxd n GLU 48 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 2uxd h PRO 49 N 0.04 0.00 0.03 5.31 0.13 -1.82 0.17 132.00 135.87 2uxd h PRO 49 Ca -0.46 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 2uxd h PRO 49 Cb 2.01 0.00 0.01 0.00 0.13 0.00 0.00 31.00 33.14 2uxd h PRO 49 CO 0.03 0.00 -0.32 -0.07 -0.23 0.00 0.00 178.00 177.42 2uxd h LEU 50 N 0.00 0.22 0.00 1.56 3.38 -1.95 -3.15 115.31 115.37 2uxd h LEU 50 Ca 0.00 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.08 2uxd h LEU 50 Cb 0.58 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2uxd h LEU 50 CO 0.00 1.09 0.02 0.54 0.09 0.00 0.00 178.44 180.18 2uxd n ARG 51 N -4.44 0.00 0.21 1.13 1.74 0.59 -1.01 116.66 114.87 2uxd n ARG 51 Ca -0.11 0.14 0.15 0.00 -0.77 0.00 0.00 57.85 57.26 2uxd n ARG 51 Cb 0.58 -1.52 0.63 0.00 -1.02 0.00 0.00 32.46 31.12 2uxd n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2uxd h ALA 52 N 1.73 1.00 0.00 7.54 0.00 -1.54 -3.02 119.26 124.96 2uxd h ALA 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2uxd h ALA 52 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2uxd h ALA 52 CO 0.00 0.00 -0.14 1.33 0.00 0.00 0.00 179.25 180.44 2uxd n VAL 53 N -2.64 0.13 -1.46 0.00 0.24 -0.18 -4.86 118.33 109.56 2uxd n VAL 53 Ca 0.01 -0.14 -0.14 0.00 -2.04 0.00 0.00 64.34 62.02 2uxd n VAL 53 Cb 0.24 0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 33.34 2uxd n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2uxd n ASP 54 N -0.08 -4.70 0.00 -1.34 8.00 -1.14 -4.97 116.55 112.30 2uxd n ASP 54 Ca 0.01 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.84 2uxd n ASP 54 Cb 0.54 -3.49 0.00 0.00 -0.02 0.00 0.00 41.12 38.16 2uxd n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2uxd n ALA 55 N 1.11 0.00 0.00 2.24 0.00 -1.18 -4.68 120.51 118.00 2uxd n ALA 55 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2uxd n ALA 55 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2uxd n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2uxd n LEU 56 N 0.00 0.00 -4.30 0.00 0.00 -1.26 -4.58 117.00 106.85 2uxd n LEU 56 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 56.01 55.55 2uxd n LEU 56 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.39 2uxd n LEU 56 CO 0.00 0.00 0.41 -0.83 0.00 0.00 0.00 177.39 176.97 2uxd s GLY 57 N 0.00 2.69 0.00 -3.96 0.00 -1.26 -4.16 107.32 100.62 2uxd s GLY 57 Ca 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 44.72 41.36 2uxd s GLY 57 CO 0.00 1.25 0.00 -2.13 0.00 0.00 0.00 173.10 172.22 2uxd n ARG 58 N 3.83 0.00 -4.47 2.90 0.63 -0.96 -4.97 116.66 113.61 2uxd n ARG 58 Ca 0.14 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.77 2uxd n ARG 58 Cb 0.46 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.25 2uxd n ARG 58 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2uxd s PHE 59 N -0.63 2.56 0.00 -0.14 0.40 -1.23 0.90 117.98 119.85 2uxd s PHE 59 Ca 0.00 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.08 2uxd s PHE 59 Cb 0.00 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 42.12 2uxd s PHE 59 CO 0.00 0.32 0.00 -0.25 0.70 0.00 0.00 175.22 175.99 2uxd n ASP 60 N 1.17 0.00 0.00 1.36 8.00 -0.48 -4.02 116.55 122.58 2uxd n ASP 60 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 2uxd n ASP 60 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2uxd n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2uxd n ALA 61 N -3.00 0.00 -3.46 2.24 0.00 -1.24 -4.68 120.51 110.37 2uxd n ALA 61 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 2uxd n ALA 61 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2uxd n ALA 61 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2uxd s TYR 62 N -0.88 0.18 -0.02 0.00 5.04 -1.15 -0.29 117.35 120.23 2uxd s TYR 62 Ca 0.00 -0.96 -0.01 0.00 -2.44 0.00 0.00 57.07 53.66 2uxd s TYR 62 Cb 0.00 -0.73 -0.04 0.00 0.35 0.00 0.00 41.96 41.54 2uxd s TYR 62 CO 0.00 -0.87 0.06 0.42 -1.34 0.00 0.00 175.55 173.82 2uxd s ILE 63 N 1.72 4.61 -0.73 3.14 1.01 -1.16 -3.41 121.20 126.37 2uxd s ILE 63 Ca 0.13 -0.38 0.19 0.00 0.00 0.00 0.00 60.65 60.60 2uxd s ILE 63 Cb -0.18 -3.07 -0.23 0.00 0.01 0.00 0.00 42.46 38.99 2uxd s ILE 63 CO -0.19 0.41 0.75 0.41 0.00 0.00 0.00 174.94 176.32 2uxd n THR 64 N 1.42 0.00 0.00 2.92 -1.04 -0.78 0.42 114.28 117.22 2uxd n THR 64 Ca -0.15 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 2uxd n THR 64 Cb 0.53 0.80 0.00 0.00 -1.82 0.00 0.00 70.33 69.84 2uxd n THR 64 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2uxd n VAL 65 N -1.62 0.00 -4.22 12.58 3.14 -1.26 -4.68 118.33 122.28 2uxd n VAL 65 Ca 0.02 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.16 2uxd n VAL 65 Cb 0.35 0.00 -0.17 0.00 -1.06 0.00 0.00 33.84 32.96 2uxd n VAL 65 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 2uxd s ARG 66 N 0.00 1.35 0.00 1.45 3.52 -0.64 -4.77 118.95 119.86 2uxd s ARG 66 Ca 0.00 -0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 2uxd s ARG 66 Cb 0.00 -1.28 0.00 0.00 -1.56 0.00 0.00 34.95 32.11 2uxd s ARG 66 CO 0.00 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.79 2uxd n GLY 67 N 4.30 3.69 0.00 8.12 0.00 -1.26 -4.19 105.19 115.85 2uxd n GLY 67 Ca -0.19 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2uxd n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uxd n GLY 68 N 0.31 0.91 3.06 -0.02 0.00 -1.24 -3.86 105.19 104.35 2uxd n GLY 68 Ca 0.00 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 2uxd n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2uxd s GLY 69 N 0.00 -0.13 0.18 -0.02 0.00 -1.26 -5.05 107.32 101.03 2uxd s GLY 69 Ca 0.00 0.55 -0.19 0.00 0.00 0.00 0.00 44.72 45.08 2uxd s GLY 69 CO 0.00 0.51 1.33 0.28 0.00 0.00 0.00 173.10 175.23 2uxd n LYS 70 N 3.10 -0.26 0.24 2.90 4.76 -1.26 0.99 118.16 128.63 2uxd n LYS 70 Ca -0.14 1.32 0.06 0.00 -2.87 0.00 0.00 58.31 56.68 2uxd n LYS 70 Cb 0.58 -1.95 0.56 0.00 -1.84 0.00 0.00 35.03 32.38 2uxd n LYS 70 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2uxd h SER 71 N 0.00 0.00 0.23 4.39 0.87 -1.99 -1.75 113.55 115.29 2uxd h SER 71 Ca 0.24 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.58 2uxd h SER 71 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2uxd h SER 71 CO -0.84 0.13 -0.89 1.23 -0.53 0.00 0.00 176.83 175.93 2uxd h GLY 72 N 0.40 0.54 1.02 5.77 0.00 0.28 -3.09 103.07 107.99 2uxd h GLY 72 Ca -0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 47.33 46.43 2uxd h GLY 72 CO 0.02 0.78 0.45 1.46 0.00 0.00 0.00 176.54 179.24 2uxd h GLN 73 N 0.29 1.17 -0.14 4.80 4.20 -0.08 0.16 115.11 125.51 2uxd h GLN 73 Ca -0.07 -0.14 0.04 0.00 0.06 0.00 0.00 58.65 58.54 2uxd h GLN 73 Cb 1.51 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 2uxd h GLN 73 CO 0.16 0.87 0.14 0.82 -0.67 0.00 0.00 178.83 180.15 2uxd h ILE 74 N 1.17 0.59 0.12 2.54 2.04 -1.26 -1.73 117.51 120.97 2uxd h ILE 74 Ca 0.29 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 65.79 2uxd h ILE 74 Cb 0.05 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2uxd h ILE 74 CO -0.04 0.00 -2.00 0.47 0.00 0.00 0.00 178.15 176.58 2uxd n ASP 75 N -3.98 2.11 -0.03 1.72 8.00 0.08 -3.00 116.55 121.44 2uxd n ASP 75 Ca 0.01 0.21 -0.08 0.00 0.71 0.00 0.00 54.79 55.63 2uxd n ASP 75 Cb 0.26 -0.85 -0.03 0.00 -0.02 0.00 0.00 41.12 40.49 2uxd n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2uxd h ALA 76 N 0.09 0.08 -0.50 2.24 0.00 -0.24 -0.79 119.26 120.14 2uxd h ALA 76 Ca -0.42 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.61 2uxd h ALA 76 Cb 2.03 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.98 2uxd h ALA 76 CO 0.09 -0.51 0.25 0.82 0.00 0.00 0.00 179.25 179.90 2uxd h ILE 77 N -0.05 0.95 -0.54 0.00 2.04 -1.51 0.24 117.51 118.65 2uxd h ILE 77 Ca 0.10 -0.17 0.16 0.00 1.00 0.00 0.00 64.86 65.95 2uxd h ILE 77 Cb 0.21 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 2uxd h ILE 77 CO -0.23 0.09 0.61 0.50 0.00 0.00 0.00 178.15 179.12 2uxd h LYS 78 N 0.49 0.00 0.00 2.37 3.11 -1.08 -2.45 116.57 119.01 2uxd h LYS 78 Ca 0.22 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.06 2uxd h LYS 78 Cb 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 2uxd h LYS 78 CO -0.16 0.00 -0.62 -0.11 -2.81 0.00 0.00 179.45 175.75 2uxd n LEU 79 N -3.59 1.72 -0.36 5.20 -0.00 0.62 -4.19 117.00 116.39 2uxd n LEU 79 Ca 0.11 0.51 0.01 0.00 -0.00 0.00 0.00 56.01 56.63 2uxd n LEU 79 Cb 0.81 -0.80 0.07 0.00 -0.00 0.00 0.00 43.42 43.50 2uxd n LEU 79 CO 0.26 -0.41 0.59 0.61 -0.00 0.00 0.00 177.39 178.44 2uxd n GLY 80 N 1.57 -1.88 0.21 -3.96 0.00 0.19 0.23 105.19 101.55 2uxd n GLY 80 Ca -0.09 1.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.98 2uxd n GLY 80 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2uxd h ILE 81 N 0.00 0.48 -0.03 -0.61 2.04 -1.64 0.46 117.51 118.21 2uxd h ILE 81 Ca 0.37 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.24 2uxd h ILE 81 Cb 0.61 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2uxd h ILE 81 CO -0.97 0.00 0.03 0.00 0.00 0.00 0.00 178.15 177.22 2uxd h ALA 82 N 1.53 1.58 -0.16 1.87 0.00 -0.39 0.32 119.26 124.01 2uxd h ALA 82 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2uxd h ALA 82 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2uxd h ALA 82 CO -0.54 -0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.20 2uxd n ARG 83 N -3.85 1.74 -0.13 0.00 1.74 0.16 -3.90 116.66 112.42 2uxd n ARG 83 Ca -0.02 -1.11 -0.27 0.00 -0.77 0.00 0.00 57.85 55.67 2uxd n ARG 83 Cb 0.12 -1.40 -0.09 0.00 -1.02 0.00 0.00 32.46 30.07 2uxd n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2uxd n ALA 84 N 0.34 1.37 0.00 7.54 0.00 0.11 -4.23 120.51 125.63 2uxd n ALA 84 Ca 0.16 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.59 2uxd n ALA 84 Cb 0.34 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2uxd n ALA 84 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2uxd n LEU 85 N -4.12 0.00 -0.00 0.00 4.32 -0.80 0.67 117.00 117.07 2uxd n LEU 85 Ca -0.50 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 55.56 2uxd n LEU 85 Cb 0.86 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.56 2uxd n LEU 85 CO 0.03 0.00 -0.44 0.52 -1.22 0.00 0.00 177.39 176.29 2uxd n VAL 86 N -0.84 0.00 -0.02 4.08 0.31 -1.26 -2.77 118.33 117.84 2uxd n VAL 86 Ca 0.00 -0.27 -0.06 0.00 -0.01 0.00 0.00 64.34 64.00 2uxd n VAL 86 Cb 0.00 0.48 -0.13 0.00 -0.91 0.00 0.00 33.84 33.28 2uxd n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2uxd n GLN 87 N -1.74 0.64 0.00 5.55 1.13 0.21 -3.10 117.38 120.07 2uxd n GLN 87 Ca -0.01 0.23 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 2uxd n GLN 87 Cb 0.31 -1.76 0.00 0.00 0.11 0.00 0.00 30.24 28.90 2uxd n GLN 87 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2uxd n TYR 88 N -2.94 0.00 -3.62 1.08 9.36 -0.77 -4.69 117.16 115.58 2uxd n TYR 88 Ca -0.17 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.69 2uxd n TYR 88 Cb 0.99 -0.28 -0.06 0.00 -0.63 0.00 0.00 39.34 39.36 2uxd n TYR 88 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2uxd s ASN 89 N -2.91 6.08 0.49 2.98 3.84 -1.11 -4.89 114.94 119.42 2uxd s ASN 89 Ca 0.00 -3.69 0.33 0.00 0.21 0.00 0.00 52.86 49.71 2uxd s ASN 89 Cb 0.00 -1.93 1.78 0.00 -0.55 0.00 0.00 41.25 40.55 2uxd s ASN 89 CO 0.00 -0.20 2.00 1.55 -2.79 0.00 0.00 177.10 177.67 2uxd h PRO 90 N 6.09 0.00 -0.84 0.43 0.13 -1.66 -1.54 132.00 134.60 2uxd h PRO 90 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2uxd h PRO 90 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2uxd h PRO 90 CO 0.86 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.38 2uxd n ASP 91 N -2.65 0.84 0.05 1.44 9.92 -1.26 -3.37 116.55 121.52 2uxd n ASP 91 Ca -0.02 -1.78 0.12 0.00 -0.53 0.00 0.00 54.79 52.57 2uxd n ASP 91 Cb 0.06 -0.42 0.07 0.00 -0.64 0.00 0.00 41.12 40.19 2uxd n ASP 91 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2uxd n TYR 92 N 0.03 0.49 -0.17 1.24 0.53 -0.58 -4.32 117.16 114.37 2uxd n TYR 92 Ca 0.00 0.14 -0.12 0.00 -1.02 0.00 0.00 57.90 56.90 2uxd n TYR 92 Cb 0.21 -0.61 -0.08 0.00 -1.03 0.00 0.00 39.34 37.83 2uxd n TYR 92 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2uxd h ARG 93 N 0.00 -0.31 -0.41 -0.72 2.47 -1.83 -2.06 114.38 111.52 2uxd h ARG 93 Ca 0.00 0.02 0.09 0.00 -1.26 0.00 0.00 59.98 58.83 2uxd h ARG 93 Cb 0.79 0.07 -0.08 0.00 -1.65 0.00 0.00 29.97 29.10 2uxd h ARG 93 CO 0.00 -0.21 -0.06 0.00 0.56 0.00 0.00 179.97 180.26 2uxd n ALA 94 N -3.11 0.14 -1.42 0.04 0.00 -1.26 0.12 120.51 115.02 2uxd n ALA 94 Ca -0.01 0.44 -0.00 0.00 0.00 0.00 0.00 53.44 53.87 2uxd n ALA 94 Cb 0.34 -0.29 0.20 0.00 0.00 0.00 0.00 19.45 19.71 2uxd n ALA 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2uxd n LYS 95 N -4.57 1.86 0.00 0.00 4.76 -0.82 -4.62 118.16 114.77 2uxd n LYS 95 Ca 0.08 -3.14 0.00 0.00 -2.87 0.00 0.00 58.31 52.37 2uxd n LYS 95 Cb 0.24 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 2uxd n LYS 95 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2uxd n LEU 96 N -1.08 0.40 0.07 -0.35 7.94 0.32 -4.77 117.00 119.52 2uxd n LEU 96 Ca 0.28 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 55.05 2uxd n LEU 96 Cb 0.93 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.80 2uxd n LEU 96 CO 0.13 0.07 0.64 0.11 -1.11 0.00 0.00 177.39 177.23 2uxd h LYS 97 N 0.00 -0.16 0.00 1.96 1.79 -1.72 -2.05 116.57 116.39 2uxd h LYS 97 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2uxd h LYS 97 Cb 0.96 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 2uxd h LYS 97 CO 0.00 0.16 0.46 -1.35 -1.08 0.00 0.00 179.45 177.64 2uxd h PRO 98 N -0.51 0.00 0.00 3.15 0.11 -1.85 1.90 132.00 134.80 2uxd h PRO 98 Ca -0.02 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.82 2uxd h PRO 98 Cb 0.40 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.47 2uxd h PRO 98 CO 0.03 0.00 -1.74 1.28 -0.21 0.00 0.00 178.00 177.36 2uxd n LEU 99 N -2.52 0.75 0.00 2.35 7.99 -1.04 -4.96 117.00 119.58 2uxd n LEU 99 Ca -0.01 0.35 0.00 0.00 -0.01 0.00 0.00 56.01 56.34 2uxd n LEU 99 Cb 0.49 0.19 0.00 0.00 -0.11 0.00 0.00 43.42 43.99 2uxd n LEU 99 CO 0.08 0.35 0.00 0.61 -1.51 0.00 0.00 177.39 176.92 2uxd n GLY 100 N 1.55 0.19 0.16 -0.72 0.00 0.65 -4.79 105.19 102.22 2uxd n GLY 100 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2uxd n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2uxd n PHE 101 N -2.16 0.00 -1.74 1.61 0.99 -1.25 -1.73 117.46 113.17 2uxd n PHE 101 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.50 2uxd n PHE 101 Cb 0.22 -0.01 0.18 0.00 -1.00 0.00 0.00 39.48 38.87 2uxd n PHE 101 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 2uxd n LEU 102 N -0.22 2.51 -4.10 4.37 -0.00 -1.26 -4.46 117.00 113.84 2uxd n LEU 102 Ca 0.00 -3.65 -0.30 0.00 -0.00 0.00 0.00 56.01 52.06 2uxd n LEU 102 Cb 0.02 -0.45 -0.17 0.00 -0.00 0.00 0.00 43.42 42.82 2uxd n LEU 102 CO 0.00 1.29 -0.51 -0.89 -0.00 0.00 0.00 177.39 177.28 2uxd s THR 103 N -2.80 1.72 0.04 1.47 2.01 -0.70 -5.05 115.64 112.32 2uxd s THR 103 Ca 0.38 -0.78 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 2uxd s THR 103 Cb 0.37 -1.55 -0.07 0.00 0.01 0.00 0.00 72.50 71.26 2uxd s THR 103 CO -0.08 0.48 1.59 -0.60 -0.69 0.00 0.00 174.62 175.32 2uxd s ARG 104 N 0.92 4.22 -0.47 4.92 3.00 -1.26 -4.92 118.95 125.36 2uxd s ARG 104 Ca -0.07 2.23 -0.28 0.00 -1.00 0.00 0.00 55.73 56.61 2uxd s ARG 104 Cb -0.15 -3.63 0.03 0.00 0.00 0.00 0.00 34.95 31.20 2uxd s ARG 104 CO -0.02 -0.70 1.06 0.34 0.00 0.00 0.00 175.30 175.97 2uxd s ASP 105 N 2.36 6.58 0.28 -2.12 -1.08 -1.26 -4.92 116.67 116.51 2uxd s ASP 105 Ca 0.71 0.33 0.02 0.00 -0.52 0.00 0.00 52.55 53.09 2uxd s ASP 105 Cb -0.37 -2.51 0.61 0.00 -1.46 0.00 0.00 42.92 39.19 2uxd s ASP 105 CO 0.31 -1.18 1.80 0.00 0.52 0.00 0.00 175.17 176.61 2uxd h ALA 106 N 9.17 1.50 -0.04 3.66 0.00 -1.98 -3.42 119.26 128.16 2uxd h ALA 106 Ca -0.23 0.06 -0.69 0.00 0.00 0.00 0.00 54.91 54.04 2uxd h ALA 106 Cb 1.07 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 2uxd h ALA 106 CO 1.09 0.05 1.45 0.54 0.00 0.00 0.00 179.25 182.37 2uxd n ARG 107 N -4.74 0.04 0.00 0.00 1.74 -1.26 -4.90 116.66 107.54 2uxd n ARG 107 Ca 0.20 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 2uxd n ARG 107 Cb 0.45 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 2uxd n ARG 107 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2uxd n VAL 108 N 6.81 0.00 -3.50 1.55 0.31 -1.26 -4.47 118.33 117.76 2uxd n VAL 108 Ca 0.57 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.71 2uxd n VAL 108 Cb -0.01 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.79 2uxd n VAL 108 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2uxd s VAL 109 N 3.74 -0.30 0.11 2.52 1.01 -1.26 -5.04 120.40 121.17 2uxd s VAL 109 Ca 0.00 -0.12 -0.36 0.00 0.00 0.00 0.00 61.98 61.50 2uxd s VAL 109 Cb 0.00 -0.67 -0.15 0.00 0.00 0.00 0.00 36.38 35.56 2uxd s VAL 109 CO 0.00 -0.22 1.46 1.21 0.00 0.00 0.00 175.10 177.55 2uxd n GLU 110 N 5.31 1.58 -0.73 2.72 2.13 -1.26 -4.95 120.64 125.45 2uxd n GLU 110 Ca -0.06 0.57 -0.31 0.00 0.66 0.00 0.00 57.16 58.02 2uxd n GLU 110 Cb 0.49 -2.27 0.16 0.00 0.27 0.00 0.00 31.44 30.10 2uxd n GLU 110 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2uxd s ARG 111 N 0.79 1.08 -0.60 5.31 3.52 -1.26 -4.85 118.95 122.95 2uxd s ARG 111 Ca 0.83 1.55 -0.19 0.00 -0.13 0.00 0.00 55.73 57.79 2uxd s ARG 111 Cb -0.84 -1.73 0.11 0.00 -1.56 0.00 0.00 34.95 30.93 2uxd s ARG 111 CO 0.44 -2.59 0.69 0.21 -0.81 0.00 0.00 175.30 173.24 2uxd s LYS 112 N -4.63 3.05 1.19 5.12 2.36 -1.26 -4.27 119.74 121.30 2uxd s LYS 112 Ca 0.67 -1.37 -0.16 0.00 -2.55 0.00 0.00 55.97 52.56 2uxd s LYS 112 Cb -0.23 -4.28 0.28 0.00 -1.05 0.00 0.00 37.83 32.56 2uxd s LYS 112 CO 0.58 -1.53 1.03 0.15 1.55 0.00 0.00 175.35 177.13 2uxd s LYS 113 N 2.57 -1.14 0.56 4.03 3.01 -1.26 -4.80 119.74 122.71 2uxd s LYS 113 Ca 0.11 0.45 0.03 0.00 -1.01 0.00 0.00 55.97 55.55 2uxd s LYS 113 Cb -0.24 -1.56 0.06 0.00 -1.01 0.00 0.00 37.83 35.07 2uxd s LYS 113 CO 0.06 -3.77 0.78 1.52 0.51 0.00 0.00 175.35 174.45 2uxd s TYR 114 N -2.63 2.38 0.00 3.18 -0.85 -1.26 -4.25 117.35 113.92 2uxd s TYR 114 Ca 0.68 -0.24 0.00 0.00 -0.52 0.00 0.00 57.07 56.99 2uxd s TYR 114 Cb -0.19 -2.65 0.00 0.00 0.38 0.00 0.00 41.96 39.50 2uxd s TYR 114 CO 0.60 -1.00 0.00 0.41 -1.52 0.00 0.00 175.55 174.04 2uxd n GLY 115 N -2.33 0.14 0.00 5.49 0.00 -1.26 -4.91 105.19 102.31 2uxd n GLY 115 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2uxd n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2uxd n LYS 116 N -0.11 1.58 0.00 1.61 5.02 -1.26 -4.64 118.16 120.35 2uxd n LYS 116 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2uxd n LYS 116 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 2uxd n LYS 116 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2uxd n HIS 117 N 0.00 0.00 -2.91 2.13 8.25 -0.32 -4.87 115.22 117.50 2uxd n HIS 117 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 2uxd n HIS 117 Cb 0.00 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.15 2uxd n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2uxd n LYS 118 N -2.21 0.96 0.00 -0.41 5.02 -1.24 -4.97 118.16 115.32 2uxd n LYS 118 Ca 0.00 -2.48 0.00 0.00 -2.02 0.00 0.00 58.31 53.81 2uxd n LYS 118 Cb 0.49 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 2uxd n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2uxd n ALA 119 N 0.51 0.00 0.00 7.82 0.00 -1.26 -3.84 120.51 123.73 2uxd n ALA 119 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2uxd n ALA 119 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 2uxd n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2uxd n ARG 120 N -0.09 0.00 -1.73 0.00 1.74 -1.26 -4.56 116.66 110.76 2uxd n ARG 120 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 2uxd n ARG 120 Cb 0.00 -0.39 -0.01 0.00 -1.02 0.00 0.00 32.46 31.04 2uxd n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2uxd n ARG 121 N -1.49 2.41 -4.89 5.56 0.63 -1.25 -4.88 116.66 112.75 2uxd n ARG 121 Ca 0.00 0.85 -0.27 0.00 -0.92 0.00 0.00 57.85 57.51 2uxd n ARG 121 Cb 0.00 -2.53 -0.15 0.00 0.45 0.00 0.00 32.46 30.23 2uxd n ARG 121 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2uxd s ALA 122 N -0.79 1.85 -0.01 5.13 0.00 -1.26 -1.17 121.76 125.51 2uxd s ALA 122 Ca 0.58 -1.02 -0.31 0.00 0.00 0.00 0.00 51.96 51.20 2uxd s ALA 122 Cb -0.53 -0.42 -0.10 0.00 0.00 0.00 0.00 23.12 22.07 2uxd s ALA 122 CO 0.59 0.44 1.95 -0.35 0.00 0.00 0.00 175.76 178.39 2uxd n PRO 123 N 2.19 2.65 -1.70 0.00 -0.04 -1.26 -4.93 135.00 131.91 2uxd n PRO 123 Ca -0.16 0.97 -0.37 0.00 -0.04 0.00 0.00 63.50 63.89 2uxd n PRO 123 Cb 0.53 -2.90 0.06 0.00 -0.04 0.00 0.00 33.50 31.15 2uxd n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2uxd n GLN 124 N 7.28 1.13 -4.02 0.54 10.64 -1.26 -5.02 117.38 126.66 2uxd n GLN 124 Ca 0.21 0.44 -0.23 0.00 -1.83 0.00 0.00 57.00 55.59 2uxd n GLN 124 Cb 0.37 -2.43 -0.06 0.00 -0.86 0.00 0.00 30.24 27.26 2uxd n GLN 124 CO 0.00 0.00 0.00 1.52 -1.83 0.00 0.00 177.06 176.75 2uxd s TYR 125 N -1.41 2.71 0.07 2.61 -0.00 -1.26 -5.15 117.35 114.93 2uxd s TYR 125 Ca 0.79 -0.41 0.01 0.00 -0.00 0.00 0.00 57.07 57.46 2uxd s TYR 125 Cb -0.40 -1.75 0.01 0.00 -0.00 0.00 0.00 41.96 39.83 2uxd s TYR 125 CO 0.43 0.26 0.09 -1.13 -0.00 0.00 0.00 175.55 175.20 2uxd n SER 126 N -1.22 0.55 -4.53 -0.18 3.41 -1.26 -4.95 113.62 105.44 2uxd n SER 126 Ca -0.02 -1.21 -0.21 0.00 -0.26 0.00 0.00 58.87 57.17 2uxd n SER 126 Cb 0.62 -0.04 -0.15 0.00 -0.26 0.00 0.00 64.21 64.38 2uxd n SER 126 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2uxd n LYS 127 N -1.02 0.29 0.00 4.33 4.01 -1.26 -5.35 118.16 119.17 2uxd n LYS 127 Ca 0.01 -0.33 0.00 0.00 -0.51 0.00 0.00 58.31 57.48 2uxd n LYS 127 Cb 0.08 -2.27 0.00 0.00 -0.51 0.00 0.00 35.03 32.32 2uxd n LYS 127 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83