#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uig s VAL 2 N 0.00 5.12 0.65 3.15 1.01 -1.26 -1.34 120.40 127.73 1uig s VAL 2 Ca 0.00 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 1uig s VAL 2 Cb 0.00 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1uig s VAL 2 CO 0.00 -0.43 1.07 -0.36 0.00 0.00 0.00 175.10 175.38 1uig s PHE 3 N 1.63 2.89 0.31 5.22 0.40 0.35 -4.99 117.98 123.79 1uig s PHE 3 Ca 0.04 1.50 -0.02 0.00 -0.60 0.00 0.00 56.93 57.86 1uig s PHE 3 Cb -0.22 -3.02 -0.04 0.00 0.51 0.00 0.00 43.02 40.26 1uig s PHE 3 CO 0.08 -1.34 0.53 0.20 0.70 0.00 0.00 175.22 175.38 1uig s GLY 4 N -3.04 1.61 0.11 4.36 0.00 -1.26 -4.85 107.32 104.25 1uig s GLY 4 Ca 0.63 -0.76 -0.33 0.00 0.00 0.00 0.00 44.72 44.26 1uig s GLY 4 CO 0.44 -0.68 1.57 -0.09 0.00 0.00 0.00 173.10 174.34 1uig h ARG 5 N 1.28 -0.63 -0.09 2.90 2.43 -1.97 -1.00 114.38 117.30 1uig h ARG 5 Ca -0.49 0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.63 1uig h ARG 5 Cb 1.20 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1uig h ARG 5 CO 0.64 -0.42 -0.40 0.00 -1.51 0.00 0.00 179.97 178.28 1uig h GLU 7 N 0.16 0.67 -0.21 0.00 4.81 -1.89 -2.19 114.58 115.94 1uig h GLU 7 Ca 0.02 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1uig h GLU 7 Cb 0.79 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1uig h GLU 7 CO 0.06 0.59 0.01 1.25 -0.73 0.00 0.00 179.01 180.19 1uig h LEU 8 N 0.60 0.35 -0.59 1.64 5.85 -1.01 -1.95 115.31 120.20 1uig h LEU 8 Ca 0.16 -0.30 0.12 0.00 0.84 0.00 0.00 57.88 58.70 1uig h LEU 8 Cb 0.15 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 40.99 1uig h LEU 8 CO -0.02 0.56 0.03 0.00 -0.34 0.00 0.00 178.44 178.66 1uig h ALA 9 N 0.80 0.60 -0.61 1.25 0.00 -1.23 -0.04 119.26 120.03 1uig h ALA 9 Ca 0.06 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1uig h ALA 9 Cb 0.37 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1uig h ALA 9 CO 0.01 -0.38 0.01 0.00 0.00 0.00 0.00 179.25 178.89 1uig h ALA 10 N 1.52 0.87 -0.50 0.00 0.00 -1.27 -0.66 119.26 119.21 1uig h ALA 10 Ca 0.31 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1uig h ALA 10 Cb 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1uig h ALA 10 CO -0.48 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.38 1uig h ALA 11 N 1.03 0.68 -0.51 0.00 0.00 -0.57 -1.35 119.26 118.54 1uig h ALA 11 Ca 0.18 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1uig h ALA 11 Cb 0.54 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1uig h ALA 11 CO 0.03 0.54 -0.01 0.52 0.00 0.00 0.00 179.25 180.32 1uig h MET 12 N 0.78 0.91 -0.18 0.00 2.86 -0.93 -1.53 114.93 116.83 1uig h MET 12 Ca 0.14 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1uig h MET 12 Cb 0.59 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1uig h MET 12 CO 0.04 0.94 0.12 -0.22 1.06 0.00 0.00 176.91 178.84 1uig h LYS 13 N 0.77 0.25 -0.37 1.72 3.64 -1.03 -1.02 116.57 120.53 1uig h LYS 13 Ca 0.14 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1uig h LYS 13 Cb 0.54 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1uig h LYS 13 CO 0.03 0.19 0.25 -0.09 -2.27 0.00 0.00 179.45 177.56 1uig h ARG 14 N 0.23 0.27 -0.46 1.90 2.43 -1.15 0.46 114.38 118.05 1uig h ARG 14 Ca 0.07 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1uig h ARG 14 Cb 0.01 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1uig h ARG 14 CO -0.01 0.18 0.00 0.72 -1.51 0.00 0.00 179.97 179.34 1uig n HIS 15 N -4.48 0.51 -1.51 2.20 8.25 -0.59 -4.92 115.22 114.69 1uig n HIS 15 Ca 0.04 -0.22 -0.07 0.00 -0.26 0.00 0.00 57.72 57.22 1uig n HIS 15 Cb 0.24 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 1uig n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1uig n GLY 16 N 0.73 0.65 0.07 -1.41 0.00 0.15 -4.96 105.19 100.42 1uig n GLY 16 Ca 0.10 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 1uig n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uig h LEU 17 N 0.00 0.00 -9.00 0.99 3.38 -1.38 -3.40 115.31 105.90 1uig h LEU 17 Ca -0.15 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.20 1uig h LEU 17 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1uig h LEU 17 CO 0.21 0.94 1.31 -0.67 0.09 0.00 0.00 178.44 180.31 1uig n ASP 18 N -3.27 3.08 -0.41 -0.43 2.03 -1.26 -0.95 116.55 115.35 1uig n ASP 18 Ca -0.03 0.60 -0.05 0.00 0.52 0.00 0.00 54.79 55.82 1uig n ASP 18 Cb 0.94 -1.40 -0.02 0.00 -0.72 0.00 0.00 41.12 39.91 1uig n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1uig n ASN 19 N 9.00 -4.41 -4.68 1.67 4.13 0.21 -4.88 115.26 116.31 1uig n ASN 19 Ca 0.30 0.13 -0.42 0.00 1.68 0.00 0.00 54.58 56.27 1uig n ASN 19 Cb 0.33 -2.38 -0.03 0.00 -1.54 0.00 0.00 39.78 36.16 1uig n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1uig s TYR 20 N -1.94 2.39 -1.72 3.10 5.04 -0.13 -1.42 117.35 122.68 1uig s TYR 20 Ca 0.00 0.41 -0.01 0.00 -2.44 0.00 0.00 57.07 55.02 1uig s TYR 20 Cb 0.00 -3.87 0.00 0.00 0.35 0.00 0.00 41.96 38.44 1uig s TYR 20 CO 0.00 -3.50 0.19 0.54 -1.34 0.00 0.00 175.55 171.44 1uig n ARG 21 N 6.03 -2.69 -0.97 4.97 5.12 -1.26 -1.76 116.66 126.11 1uig n ARG 21 Ca 0.16 0.98 0.00 0.00 -1.93 0.00 0.00 57.85 57.06 1uig n ARG 21 Cb 0.42 -5.71 0.00 0.00 -1.16 0.00 0.00 32.46 26.01 1uig n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1uig n GLY 22 N -1.17 0.74 3.50 -0.13 0.00 -0.51 -5.02 105.19 102.61 1uig n GLY 22 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1uig n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uig s TYR 23 N -2.92 3.23 0.84 1.61 1.51 -0.72 -4.91 117.35 115.98 1uig s TYR 23 Ca 0.00 -0.34 -0.12 0.00 -1.01 0.00 0.00 57.07 55.60 1uig s TYR 23 Cb 0.00 -2.48 0.10 0.00 -0.11 0.00 0.00 41.96 39.47 1uig s TYR 23 CO 0.00 -0.42 1.18 -1.54 -1.11 0.00 0.00 175.55 173.66 1uig s SER 24 N 1.70 3.47 0.35 2.29 1.04 -1.26 -0.62 113.70 120.67 1uig s SER 24 Ca 0.06 2.26 0.10 0.00 0.48 0.00 0.00 55.95 58.84 1uig s SER 24 Cb -0.18 -2.58 0.84 0.00 0.10 0.00 0.00 66.02 64.21 1uig s SER 24 CO 0.10 -2.74 1.82 0.25 0.98 0.00 0.00 173.24 173.65 1uig h LEU 25 N -1.21 0.66 -1.44 2.42 5.85 -1.90 -0.85 115.31 118.85 1uig h LEU 25 Ca -0.45 0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.46 1uig h LEU 25 Cb 1.28 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 1uig h LEU 25 CO 0.45 0.27 0.52 1.23 -0.34 0.00 0.00 178.44 180.57 1uig h GLY 26 N 0.67 0.93 0.94 3.75 0.00 -1.91 -1.53 103.07 105.92 1uig h GLY 26 Ca 0.52 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 1uig h GLY 26 CO -0.28 0.11 0.14 3.43 0.00 0.00 0.00 176.54 179.94 1uig h ASN 27 N 0.58 0.37 -0.58 0.19 2.35 -1.39 -0.88 115.58 116.23 1uig h ASN 27 Ca 0.38 -0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 1uig h ASN 27 Cb 0.66 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1uig h ASN 27 CO -0.14 0.38 -0.01 -0.50 -1.65 0.00 0.00 177.43 175.50 1uig h TRP 28 N 0.33 1.13 -0.29 1.19 4.06 -1.44 -0.38 115.95 120.54 1uig h TRP 28 Ca 0.10 -0.20 -0.16 0.00 2.06 0.00 0.00 58.89 60.69 1uig h TRP 28 Cb 0.10 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 27.97 1uig h TRP 28 CO -0.02 1.01 -0.46 0.28 -3.56 0.00 0.00 178.44 175.68 1uig h VAL 29 N 0.92 1.29 -0.34 1.49 2.07 -1.26 -2.09 116.25 118.33 1uig h VAL 29 Ca 0.16 -1.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 1uig h VAL 29 Cb 0.57 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1uig h VAL 29 CO 0.03 0.53 0.10 0.00 0.02 0.00 0.00 177.57 178.25 1uig h ALA 31 N 0.93 0.81 -0.65 0.00 0.00 -1.02 -2.35 119.26 116.98 1uig h ALA 31 Ca 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1uig h ALA 31 Cb 0.27 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1uig h ALA 31 CO -0.00 0.29 0.28 0.00 0.00 0.00 0.00 179.25 179.82 1uig h ALA 32 N 1.19 0.84 0.06 0.00 0.00 -1.25 0.72 119.26 120.82 1uig h ALA 32 Ca 0.23 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1uig h ALA 32 Cb -0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1uig h ALA 32 CO -0.04 0.44 -0.27 -0.22 0.00 0.00 0.00 179.25 179.16 1uig h LYS 33 N 0.91 -0.43 0.00 0.00 1.63 -0.99 -0.83 116.57 116.86 1uig h LYS 33 Ca 0.22 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 1uig h LYS 33 Cb 0.17 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1uig h LYS 33 CO -0.02 -0.29 -0.10 0.74 -3.45 0.00 0.00 179.45 176.33 1uig h PHE 34 N -0.45 0.00 0.12 1.91 0.04 -1.35 0.49 116.94 117.70 1uig h PHE 34 Ca 0.05 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.60 1uig h PHE 34 Cb 0.51 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.66 1uig h PHE 34 CO -0.27 0.00 -1.06 0.93 -0.60 0.00 0.00 178.31 177.30 1uig h GLU 35 N 0.00 0.25 0.00 1.51 4.39 -0.64 -3.43 114.58 116.66 1uig h GLU 35 Ca 0.00 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1uig h GLU 35 Cb 0.88 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1uig h GLU 35 CO 0.00 1.21 0.00 -1.13 -1.16 0.00 0.00 179.01 177.93 1uig n SER 36 N -4.07 0.14 -1.57 1.42 3.41 -0.36 -4.85 113.62 107.74 1uig n SER 36 Ca -0.19 -0.47 -0.12 0.00 -0.26 0.00 0.00 58.87 57.83 1uig n SER 36 Cb 0.84 0.27 0.01 0.00 -0.26 0.00 0.00 64.21 65.07 1uig n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1uig n ASN 37 N -0.27 -3.87 -0.94 4.04 5.15 0.16 -2.41 115.26 117.12 1uig n ASN 37 Ca 0.00 -0.10 -0.12 0.00 -0.60 0.00 0.00 54.58 53.76 1uig n ASN 37 Cb 0.05 -2.89 -0.05 0.00 -0.53 0.00 0.00 39.78 36.36 1uig n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1uig n PHE 38 N -3.95 0.00 -3.61 1.20 3.72 -1.20 -4.85 117.46 108.76 1uig n PHE 38 Ca -0.09 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.92 1uig n PHE 38 Cb 0.58 -2.30 -0.11 0.00 -0.94 0.00 0.00 39.48 36.70 1uig n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1uig s ASN 39 N -2.79 5.74 0.52 4.37 2.47 -1.01 -0.49 114.94 123.73 1uig s ASN 39 Ca 0.00 -0.45 0.27 0.00 0.42 0.00 0.00 52.86 53.10 1uig s ASN 39 Cb 0.00 -2.05 1.41 0.00 -1.45 0.00 0.00 41.25 39.16 1uig s ASN 39 CO 0.00 -0.19 2.05 0.71 -3.72 0.00 0.00 177.10 175.95 1uig h THR 40 N 5.58 0.55 -0.18 -5.21 1.35 -1.53 -2.90 112.91 110.57 1uig h THR 40 Ca -0.32 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1uig h THR 40 Cb 1.15 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1uig h THR 40 CO 0.62 0.12 0.00 0.00 -0.25 0.00 0.00 175.52 176.01 1uig n GLN 41 N -3.61 1.75 -2.18 4.72 6.02 -1.26 -3.89 117.38 118.93 1uig n GLN 41 Ca -0.02 -1.13 -0.41 0.00 -0.01 0.00 0.00 57.00 55.44 1uig n GLN 41 Cb 0.25 -1.39 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 1uig n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1uig s ALA 42 N -1.77 3.52 0.03 -1.58 0.00 -1.10 -4.82 121.76 116.05 1uig s ALA 42 Ca 0.32 1.17 0.01 0.00 0.00 0.00 0.00 51.96 53.46 1uig s ALA 42 Cb 0.17 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1uig s ALA 42 CO 0.26 -0.56 -0.05 0.95 0.00 0.00 0.00 175.76 176.35 1uig s THR 43 N -0.49 0.33 -0.17 0.00 -4.23 -1.26 -0.67 115.64 109.14 1uig s THR 43 Ca 0.53 -1.07 -0.07 0.00 -1.18 0.00 0.00 61.69 59.90 1uig s THR 43 Cb -0.38 -0.54 0.07 0.00 1.34 0.00 0.00 72.50 73.00 1uig s THR 43 CO 0.45 -0.49 0.37 0.20 -0.54 0.00 0.00 174.62 174.61 1uig s ASN 44 N -1.65 -0.21 0.28 3.99 0.01 -0.78 -4.96 114.94 111.62 1uig s ASN 44 Ca -0.11 0.85 -0.18 0.00 -0.71 0.00 0.00 52.86 52.70 1uig s ASN 44 Cb -0.08 0.98 -0.09 0.00 0.41 0.00 0.00 41.25 42.46 1uig s ASN 44 CO -0.01 -0.22 0.75 -0.60 -1.51 0.00 0.00 177.10 175.52 1uig s ARG 45 N 2.11 4.17 0.36 -0.60 3.52 -1.26 0.10 118.95 127.35 1uig s ARG 45 Ca -0.04 0.83 0.08 0.00 -0.13 0.00 0.00 55.73 56.46 1uig s ARG 45 Cb -0.11 -2.66 -0.03 0.00 -1.56 0.00 0.00 34.95 30.60 1uig s ARG 45 CO -0.12 0.27 0.29 -0.80 -0.81 0.00 0.00 175.30 174.14 1uig s ASN 46 N -1.93 5.12 0.31 -2.12 0.01 0.59 -4.94 114.94 111.98 1uig s ASN 46 Ca 0.49 -0.61 -0.01 0.00 -0.71 0.00 0.00 52.86 52.02 1uig s ASN 46 Cb -0.14 -0.82 0.50 0.00 0.41 0.00 0.00 41.25 41.20 1uig s ASN 46 CO 0.19 -0.43 1.97 0.71 -1.51 0.00 0.00 177.10 178.02 1uig h THR 47 N 1.23 1.17 0.00 1.60 1.35 -1.98 -1.50 112.91 114.78 1uig h THR 47 Ca -0.44 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1uig h THR 47 Cb 1.26 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1uig h THR 47 CO 0.59 0.19 0.00 -0.90 -0.25 0.00 0.00 175.52 175.15 1uig n ASP 48 N -4.43 0.00 0.00 5.36 5.75 -1.26 -4.84 116.55 117.13 1uig n ASP 48 Ca 0.10 -0.56 0.00 0.00 -0.01 0.00 0.00 54.79 54.32 1uig n ASP 48 Cb 0.06 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 1uig n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uig n GLY 49 N 0.05 2.06 3.86 6.12 0.00 -0.56 -5.03 105.19 111.70 1uig n GLY 49 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1uig n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uig s SER 50 N -1.78 3.64 0.04 1.61 1.04 -1.26 -4.77 113.70 112.23 1uig s SER 50 Ca 0.00 0.67 0.02 0.00 0.48 0.00 0.00 55.95 57.13 1uig s SER 50 Cb 0.00 -1.04 -0.02 0.00 0.10 0.00 0.00 66.02 65.05 1uig s SER 50 CO 0.00 -2.44 -0.08 -0.89 0.98 0.00 0.00 173.24 170.81 1uig s THR 51 N -3.56 0.59 -0.15 2.02 2.01 -1.26 -0.30 115.64 114.99 1uig s THR 51 Ca 0.66 -1.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.57 1uig s THR 51 Cb -0.10 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1uig s THR 51 CO 0.52 -0.32 0.08 -1.81 -0.69 0.00 0.00 174.62 172.39 1uig s ASP 52 N -1.47 5.85 -0.07 3.53 1.01 0.12 -0.92 116.67 124.72 1uig s ASP 52 Ca -0.08 0.22 0.06 0.00 0.71 0.00 0.00 52.55 53.45 1uig s ASP 52 Cb -0.09 -1.92 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 1uig s ASP 52 CO 0.01 0.28 -0.24 -0.31 0.21 0.00 0.00 175.17 175.11 1uig s TYR 53 N -0.25 2.47 0.00 4.23 1.51 0.17 -1.86 117.35 123.63 1uig s TYR 53 Ca 0.09 -0.76 0.00 0.00 -1.01 0.00 0.00 57.07 55.39 1uig s TYR 53 Cb -0.12 -1.62 0.00 0.00 -0.11 0.00 0.00 41.96 40.11 1uig s TYR 53 CO 0.01 -0.24 0.00 0.41 -1.11 0.00 0.00 175.55 174.62 1uig n GLY 54 N 3.03 -1.18 0.33 0.71 0.00 0.15 -1.56 105.19 106.67 1uig n GLY 54 Ca -0.18 -1.20 0.14 0.00 0.00 0.00 0.00 46.02 44.79 1uig n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1uig h ILE 55 N 0.00 0.54 -0.39 -0.61 6.09 -1.67 -0.58 117.51 120.89 1uig h ILE 55 Ca 0.00 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 1uig h ILE 55 Cb 0.00 -0.03 0.00 0.00 0.47 0.00 0.00 36.82 37.26 1uig h ILE 55 CO 0.00 0.10 0.00 0.18 -3.07 0.00 0.00 178.15 175.36 1uig n LEU 56 N -4.94 3.75 -4.00 2.19 4.77 -1.26 -3.99 117.00 113.52 1uig n LEU 56 Ca 0.24 -2.48 -0.35 0.00 -0.03 0.00 0.00 56.01 53.39 1uig n LEU 56 Cb 0.67 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1uig n LEU 56 CO 0.16 0.73 -0.22 0.00 -1.33 0.00 0.00 177.39 176.73 1uig n GLN 57 N 0.31 -1.36 -2.39 3.23 1.13 -0.23 -4.90 117.38 113.17 1uig n GLN 57 Ca 0.19 0.25 -0.42 0.00 -1.94 0.00 0.00 57.00 55.08 1uig n GLN 57 Cb 0.71 -3.61 -0.03 0.00 0.11 0.00 0.00 30.24 27.42 1uig n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1uig s ILE 58 N -3.79 3.99 0.26 5.09 1.01 -0.60 -4.30 121.20 122.86 1uig s ILE 58 Ca 0.27 1.40 -0.30 0.00 0.00 0.00 0.00 60.65 62.03 1uig s ILE 58 Cb -0.13 -3.90 -0.09 0.00 0.01 0.00 0.00 42.46 38.35 1uig s ILE 58 CO 0.93 0.07 1.11 0.21 0.00 0.00 0.00 174.94 177.26 1uig s ASN 59 N 1.24 7.25 0.40 3.58 3.84 -1.26 -0.65 114.94 129.34 1uig s ASN 59 Ca 0.59 2.26 0.26 0.00 0.21 0.00 0.00 52.86 56.18 1uig s ASN 59 Cb -0.29 -2.62 0.73 0.00 -0.55 0.00 0.00 41.25 38.51 1uig s ASN 59 CO 0.27 -0.17 1.74 0.77 -2.79 0.00 0.00 177.10 176.92 1uig h SER 60 N 4.03 0.00 -0.17 -4.21 4.64 -1.28 -2.39 113.55 114.17 1uig h SER 60 Ca -0.46 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.80 1uig h SER 60 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1uig h SER 60 CO 0.68 0.00 -0.07 -0.09 -0.87 0.00 0.00 176.83 176.48 1uig h ARG 61 N 0.00 0.49 0.00 4.77 2.43 -1.83 -3.39 114.38 116.85 1uig h ARG 61 Ca 0.00 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1uig h ARG 61 Cb 0.78 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1uig h ARG 61 CO 0.00 0.57 -1.06 0.91 -1.51 0.00 0.00 179.97 178.88 1uig n TRP 62 N -4.24 0.00 -0.09 2.20 7.02 -1.23 -0.74 117.44 120.36 1uig n TRP 62 Ca 0.01 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.39 1uig n TRP 62 Cb 0.28 -0.04 -0.16 0.00 -2.42 0.00 0.00 31.31 28.97 1uig n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1uig n TRP 63 N -2.26 0.12 -4.10 -5.99 7.02 -0.90 -0.18 117.44 111.14 1uig n TRP 63 Ca -0.02 0.04 -0.10 0.00 -1.02 0.00 0.00 57.50 56.41 1uig n TRP 63 Cb 0.53 -1.02 -0.09 0.00 -2.42 0.00 0.00 31.31 28.30 1uig n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1uig s ASN 65 N -3.03 5.00 0.00 0.00 2.47 -0.50 -4.38 114.94 114.50 1uig s ASN 65 Ca 0.23 -0.15 0.03 0.00 0.42 0.00 0.00 52.86 53.39 1uig s ASN 65 Cb 0.06 -1.86 0.08 0.00 -1.45 0.00 0.00 41.25 38.08 1uig s ASN 65 CO 0.01 0.08 0.94 -0.90 -3.72 0.00 0.00 177.10 173.51 1uig n ASP 66 N 4.14 1.99 0.00 -4.21 5.68 -1.26 -0.46 116.55 122.43 1uig n ASP 66 Ca -0.17 -1.74 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 1uig n ASP 66 Cb 0.52 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1uig n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uig n GLY 67 N -0.06 0.29 0.98 6.12 0.00 -1.26 -4.79 105.19 106.46 1uig n GLY 67 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 1uig n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1uig n ARG 68 N -1.15 0.05 -3.91 1.61 1.85 -1.26 -4.99 116.66 108.86 1uig n ARG 68 Ca 0.00 -1.55 -0.30 0.00 -1.00 0.00 0.00 57.85 55.00 1uig n ARG 68 Cb 0.19 -0.29 -0.15 0.00 -1.05 0.00 0.00 32.46 31.16 1uig n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1uig s THR 69 N -0.10 1.95 0.04 8.89 2.01 -1.26 -4.89 115.64 122.27 1uig s THR 69 Ca 0.18 -2.40 -0.34 0.00 0.31 0.00 0.00 61.69 59.44 1uig s THR 69 Cb 0.20 -2.42 -0.12 0.00 0.01 0.00 0.00 72.50 70.17 1uig s THR 69 CO -0.08 -0.70 1.75 -2.65 -0.69 0.00 0.00 174.62 172.25 1uig n PRO 70 N 4.03 2.24 -0.55 4.92 -0.02 -1.26 -1.54 135.00 142.82 1uig n PRO 70 Ca 0.04 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1uig n PRO 70 Cb 0.39 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 1uig n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uig n GLY 71 N 3.98 0.78 3.59 -1.23 0.00 -1.26 -5.03 105.19 106.01 1uig n GLY 71 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1uig n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uig n SER 72 N 0.00 0.81 -0.01 1.61 2.88 -0.59 -4.92 113.62 113.40 1uig n SER 72 Ca 0.00 0.96 0.10 0.00 -1.33 0.00 0.00 58.87 58.61 1uig n SER 72 Cb 0.00 -1.32 -0.15 0.00 -0.75 0.00 0.00 64.21 61.99 1uig n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1uig n ARG 73 N -0.02 0.38 -4.07 -1.46 1.74 0.09 -4.96 116.66 108.35 1uig n ARG 73 Ca 0.10 -0.11 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1uig n ARG 73 Cb 0.41 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.31 1uig n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1uig n ASN 74 N -1.90 -0.32 0.29 0.55 5.15 -0.94 -4.87 115.26 113.23 1uig n ASN 74 Ca -0.00 -1.12 0.15 0.00 -0.60 0.00 0.00 54.58 53.02 1uig n ASN 74 Cb 0.45 -2.51 0.89 0.00 -0.53 0.00 0.00 39.78 38.09 1uig n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1uig h LEU 75 N -1.87 0.00 -0.66 1.20 3.38 -0.56 -0.43 115.31 116.38 1uig h LEU 75 Ca -0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1uig h LEU 75 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1uig h LEU 75 CO 0.64 0.04 -0.23 0.00 0.09 0.00 0.00 178.44 178.98 1uig n ASN 77 N -0.40 -4.75 -3.64 0.00 5.03 -0.17 -4.99 115.26 106.34 1uig n ASN 77 Ca 0.13 -0.97 -0.15 0.00 0.87 0.00 0.00 54.58 54.46 1uig n ASN 77 Cb 0.37 -3.58 -0.07 0.00 -1.02 0.00 0.00 39.78 35.48 1uig n ASN 77 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1uig s ILE 78 N -3.51 0.03 0.29 2.41 -4.36 -1.26 -5.08 121.20 109.73 1uig s ILE 78 Ca 0.40 -0.28 -0.29 0.00 -0.26 0.00 0.00 60.65 60.22 1uig s ILE 78 Cb -0.13 -0.85 -0.09 0.00 1.25 0.00 0.00 42.46 42.63 1uig s ILE 78 CO 0.85 -0.16 1.06 -2.16 0.24 0.00 0.00 174.94 174.78 1uig s PRO 79 N -1.67 4.61 0.54 0.37 0.04 -1.26 -1.42 135.00 136.22 1uig s PRO 79 Ca -0.10 1.71 0.26 0.00 0.04 0.00 0.00 61.00 62.91 1uig s PRO 79 Cb -0.02 -3.11 1.42 0.00 0.04 0.00 0.00 34.50 32.83 1uig s PRO 79 CO 0.04 0.22 2.00 0.00 0.04 0.00 0.00 177.00 179.29 1uig h SER 81 N 0.00 0.00 0.24 0.00 4.64 -1.91 -1.11 113.55 115.40 1uig h SER 81 Ca 0.24 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 1uig h SER 81 Cb 0.99 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1uig h SER 81 CO -0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 176.83 175.80 1uig h ALA 82 N 2.00 1.55 0.00 5.18 0.00 -1.57 -2.09 119.26 124.33 1uig h ALA 82 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1uig h ALA 82 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1uig h ALA 82 CO 0.00 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.74 1uig n LEU 83 N -4.09 0.00 -0.96 0.00 4.77 -0.42 -3.03 117.00 113.28 1uig n LEU 83 Ca -0.02 0.33 0.11 0.00 -0.03 0.00 0.00 56.01 56.39 1uig n LEU 83 Cb 0.24 -0.33 0.15 0.00 -2.33 0.00 0.00 43.42 41.16 1uig n LEU 83 CO 0.34 -0.08 0.63 0.18 -1.33 0.00 0.00 177.39 177.14 1uig n LEU 84 N -1.33 3.07 -4.74 2.23 4.77 -0.78 -4.15 117.00 116.06 1uig n LEU 84 Ca 0.10 -1.30 -0.34 0.00 -0.03 0.00 0.00 56.01 54.44 1uig n LEU 84 Cb 0.20 -0.13 0.07 0.00 -2.33 0.00 0.00 43.42 41.23 1uig n LEU 84 CO 0.18 0.61 0.77 -0.55 -1.33 0.00 0.00 177.39 177.07 1uig s SER 85 N -1.54 4.57 0.49 -1.43 0.15 -1.17 -4.20 113.70 110.57 1uig s SER 85 Ca 0.31 2.19 0.28 0.00 0.70 0.00 0.00 55.95 59.42 1uig s SER 85 Cb 0.19 -2.57 1.12 0.00 -1.71 0.00 0.00 66.02 63.05 1uig s SER 85 CO 0.28 -2.00 1.90 0.77 1.20 0.00 0.00 173.24 175.39 1uig h SER 86 N -0.19 0.00 -3.44 5.45 4.64 -1.94 -3.40 113.55 114.67 1uig h SER 86 Ca -0.47 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.24 1uig h SER 86 Cb 1.27 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.25 1uig h SER 86 CO 0.51 0.14 0.25 -0.62 -0.87 0.00 0.00 176.83 176.24 1uig s ASP 87 N -6.01 6.63 0.00 4.97 -1.08 -1.26 -4.96 116.67 114.96 1uig s ASP 87 Ca 0.00 0.75 0.18 0.00 -0.52 0.00 0.00 52.55 52.96 1uig s ASP 87 Cb 0.10 -2.36 0.90 0.00 -1.46 0.00 0.00 42.92 40.10 1uig s ASP 87 CO 0.60 -0.44 1.60 2.30 0.52 0.00 0.00 175.17 179.76 1uig n ILE 88 N 5.26 0.08 -0.19 4.11 -5.35 -1.26 -4.40 119.36 117.61 1uig n ILE 88 Ca 0.01 -0.12 -0.00 0.00 -0.27 0.00 0.00 62.75 62.37 1uig n ILE 88 Cb 0.49 -0.05 0.09 0.00 -1.74 0.00 0.00 39.64 38.42 1uig n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1uig h THR 89 N 0.74 0.54 -0.44 7.28 2.02 -1.94 -0.19 112.91 120.92 1uig h THR 89 Ca 0.00 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 1uig h THR 89 Cb 0.16 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1uig h THR 89 CO 0.00 0.02 0.02 0.00 0.37 0.00 0.00 175.52 175.94 1uig h ALA 90 N 1.52 0.59 -0.74 6.16 0.00 -1.87 0.43 119.26 125.34 1uig h ALA 90 Ca 0.30 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1uig h ALA 90 Cb 0.47 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1uig h ALA 90 CO -0.48 0.36 0.48 0.77 0.00 0.00 0.00 179.25 180.38 1uig h SER 91 N 0.61 0.87 -0.32 0.00 0.02 -1.69 -1.61 113.55 111.43 1uig h SER 91 Ca 0.13 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1uig h SER 91 Cb 0.46 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1uig h SER 91 CO 0.02 0.64 0.04 0.58 -1.14 0.00 0.00 176.83 176.97 1uig h VAL 92 N 1.01 1.24 -0.81 2.27 2.07 -0.75 -0.51 116.25 120.77 1uig h VAL 92 Ca 0.27 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 1uig h VAL 92 Cb -0.09 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1uig h VAL 92 CO -0.06 0.28 0.36 0.78 0.02 0.00 0.00 177.57 178.95 1uig h ASN 93 N 0.36 1.09 -0.32 0.57 -0.26 -0.68 -1.78 115.58 114.55 1uig h ASN 93 Ca 0.10 -0.15 -0.10 0.00 -0.56 0.00 0.00 56.30 55.58 1uig h ASN 93 Cb 0.38 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 1uig h ASN 93 CO 0.01 0.94 -0.21 0.00 -1.06 0.00 0.00 177.43 177.11 1uig h ALA 95 N 0.75 1.64 -0.84 0.00 0.00 -0.77 -0.53 119.26 119.51 1uig h ALA 95 Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1uig h ALA 95 Cb 0.75 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1uig h ALA 95 CO 0.06 0.26 0.46 0.87 0.00 0.00 0.00 179.25 180.90 1uig h LYS 96 N 0.82 1.17 -0.23 0.00 1.57 -1.23 0.12 116.57 118.79 1uig h LYS 96 Ca 0.30 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1uig h LYS 96 Cb 0.16 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1uig h LYS 96 CO -0.09 0.86 -0.19 0.87 -0.57 0.00 0.00 179.45 180.32 1uig h LYS 97 N 1.18 0.54 -0.02 3.15 1.57 -1.06 -2.81 116.57 119.12 1uig h LYS 97 Ca 0.30 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1uig h LYS 97 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1uig h LYS 97 CO -0.05 0.85 -0.03 0.82 -0.57 0.00 0.00 179.45 180.47 1uig h ILE 98 N 0.24 0.90 0.00 1.86 2.04 -0.92 -2.55 117.51 119.08 1uig h ILE 98 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1uig h ILE 98 Cb 0.73 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1uig h ILE 98 CO 0.05 0.00 -0.04 1.62 0.00 0.00 0.00 178.15 179.77 1uig h VAL 99 N -0.05 0.18 -0.01 1.67 3.04 -0.81 -0.62 116.25 119.64 1uig h VAL 99 Ca 0.02 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 1uig h VAL 99 Cb 0.08 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 1uig h VAL 99 CO -0.05 0.04 -0.12 -1.20 -1.01 0.00 0.00 177.57 175.24 1uig n SER 100 N -3.25 1.14 0.00 3.17 7.64 -1.05 -3.59 113.62 117.68 1uig n SER 100 Ca -0.01 -1.14 0.05 0.00 1.01 0.00 0.00 58.87 58.78 1uig n SER 100 Cb 0.23 0.05 0.27 0.00 -1.01 0.00 0.00 64.21 63.75 1uig n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1uig n ASP 101 N -0.32 0.00 0.00 6.43 2.03 -0.24 -4.84 116.55 119.60 1uig n ASP 101 Ca 0.16 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1uig n ASP 101 Cb 0.33 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 1uig n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uig n GLY 102 N -0.42 1.81 0.84 0.27 0.00 -1.26 -4.88 105.19 101.55 1uig n GLY 102 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1uig n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uig n ASN 103 N 0.00 3.22 0.00 1.61 4.13 -1.26 -5.08 115.26 117.88 1uig n ASN 103 Ca 0.00 -2.00 0.00 0.00 1.68 0.00 0.00 54.58 54.26 1uig n ASN 103 Cb 0.00 -0.30 0.00 0.00 -1.54 0.00 0.00 39.78 37.94 1uig n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1uig n GLY 104 N 0.84 2.09 0.00 7.41 0.00 -1.24 -2.56 105.19 111.75 1uig n GLY 104 Ca 0.15 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.89 1uig n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1uig n MET 105 N 10.57 0.49 0.15 1.61 2.81 -1.26 -3.02 117.12 128.46 1uig n MET 105 Ca 0.00 0.04 0.12 0.00 -1.81 0.00 0.00 57.70 56.05 1uig n MET 105 Cb 0.00 -1.50 0.55 0.00 -0.71 0.00 0.00 33.22 31.56 1uig n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1uig n ASN 106 N -1.17 0.66 0.29 7.83 3.02 -1.06 -1.60 115.26 123.23 1uig n ASN 106 Ca 0.13 0.72 0.16 0.00 -0.03 0.00 0.00 54.58 55.56 1uig n ASN 106 Cb 0.14 -0.84 0.91 0.00 -0.61 0.00 0.00 39.78 39.38 1uig n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uig h ALA 107 N 2.15 1.36 -2.67 5.41 0.00 -1.70 -3.36 119.26 120.45 1uig h ALA 107 Ca 0.00 -0.03 -0.72 0.00 0.00 0.00 0.00 54.91 54.16 1uig h ALA 107 Cb 0.22 -0.01 -0.25 0.00 0.00 0.00 0.00 17.79 17.76 1uig h ALA 107 CO 0.00 0.04 -0.46 -1.58 0.00 0.00 0.00 179.25 177.25 1uig s TRP 108 N -4.41 3.27 0.32 0.00 0.51 -0.63 -4.97 118.94 113.02 1uig s TRP 108 Ca -0.04 -1.06 0.04 0.00 -2.12 0.00 0.00 56.10 52.92 1uig s TRP 108 Cb 0.14 -2.72 0.65 0.00 -0.81 0.00 0.00 33.47 30.74 1uig s TRP 108 CO 0.54 -0.72 1.87 -0.24 -0.51 0.00 0.00 176.95 177.89 1uig h VAL 109 N 5.88 0.93 -0.15 4.03 3.04 -1.85 -1.25 116.25 126.88 1uig h VAL 109 Ca -0.25 -0.30 -0.12 0.00 -1.01 0.00 0.00 66.70 65.02 1uig h VAL 109 Cb 1.10 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 1uig h VAL 109 CO 0.74 0.16 -0.41 0.00 -1.01 0.00 0.00 177.57 177.05 1uig h ALA 110 N 1.56 1.02 -0.14 3.17 0.00 -1.93 -1.21 119.26 121.73 1uig h ALA 110 Ca 0.45 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1uig h ALA 110 Cb 0.50 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1uig h ALA 110 CO -0.21 0.61 0.02 2.35 0.00 0.00 0.00 179.25 182.02 1uig h TRP 111 N 0.29 0.25 -0.48 0.00 7.01 -1.57 0.27 115.95 121.72 1uig h TRP 111 Ca 0.03 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.00 1uig h TRP 111 Cb 0.85 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.82 1uig h TRP 111 CO 0.02 0.43 0.31 -0.09 -2.79 0.00 0.00 178.44 176.32 1uig h ARG 112 N -0.00 0.62 0.00 2.65 2.43 -1.15 0.30 114.38 119.23 1uig h ARG 112 Ca 0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1uig h ARG 112 Cb 0.32 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1uig h ARG 112 CO 0.00 0.41 -0.57 -0.91 -1.51 0.00 0.00 179.97 177.40 1uig h ASN 113 N 0.64 0.00 0.00 -3.80 2.35 -1.21 -3.37 115.58 110.19 1uig h ASN 113 Ca 0.18 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1uig h ASN 113 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1uig h ASN 113 CO -0.05 0.02 -0.02 0.54 -1.65 0.00 0.00 177.43 176.27 1uig n ARG 114 N -2.69 3.74 -0.02 0.81 1.74 0.08 -4.90 116.66 115.43 1uig n ARG 114 Ca 0.02 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.07 1uig n ARG 114 Cb 0.52 -0.29 -0.01 0.00 -1.02 0.00 0.00 32.46 31.66 1uig n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uig n LYS 116 N -2.84 1.19 -1.01 0.00 4.81 0.84 -1.12 118.16 120.03 1uig n LYS 116 Ca -0.07 0.43 -0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1uig n LYS 116 Cb 0.56 -2.11 -0.00 0.00 0.02 0.00 0.00 35.03 33.50 1uig n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uig n GLY 117 N 3.60 0.43 3.93 3.14 0.00 -1.26 -4.96 105.19 110.06 1uig n GLY 117 Ca 0.23 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1uig n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uig s THR 118 N -1.84 2.61 -1.30 2.61 -4.23 -0.28 -4.99 115.64 108.22 1uig s THR 118 Ca 0.00 -1.23 -0.18 0.00 -1.18 0.00 0.00 61.69 59.10 1uig s THR 118 Cb 0.00 -2.84 0.05 0.00 1.34 0.00 0.00 72.50 71.04 1uig s THR 118 CO 0.00 0.00 1.83 -0.67 -0.54 0.00 0.00 174.62 175.24 1uig n ASP 119 N -1.72 4.56 0.28 3.99 2.03 -1.26 -4.73 116.55 119.70 1uig n ASP 119 Ca 0.06 -2.88 0.19 0.00 0.52 0.00 0.00 54.79 52.67 1uig n ASP 119 Cb 0.61 -1.73 1.00 0.00 -0.72 0.00 0.00 41.12 40.28 1uig n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1uig h VAL 120 N 5.40 0.00 -0.43 5.18 -1.51 -1.90 -1.77 116.25 121.21 1uig h VAL 120 Ca 0.44 -0.05 0.04 0.00 -1.23 0.00 0.00 66.70 65.90 1uig h VAL 120 Cb 0.84 0.91 -0.02 0.00 -2.13 0.00 0.00 31.29 30.89 1uig h VAL 120 CO 1.50 0.00 0.29 1.56 -1.23 0.00 0.00 177.57 179.69 1uig h GLN 121 N 0.00 0.41 -0.29 5.19 7.50 -1.89 -1.34 115.11 124.69 1uig h GLN 121 Ca 0.00 -0.02 0.08 0.00 0.50 0.00 0.00 58.65 59.21 1uig h GLN 121 Cb 0.06 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.48 1uig h GLN 121 CO 0.00 0.27 0.25 0.00 -1.50 0.00 0.00 178.83 177.85 1uig h ALA 122 N 1.76 2.10 0.00 3.87 0.00 -1.72 -1.90 119.26 123.37 1uig h ALA 122 Ca 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1uig h ALA 122 Cb 0.20 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1uig h ALA 122 CO -0.04 -0.40 -0.02 -1.49 0.00 0.00 0.00 179.25 177.30 1uig h TRP 123 N 0.00 0.00 -0.06 0.00 4.06 -1.45 -2.75 115.95 115.75 1uig h TRP 123 Ca 0.14 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.09 1uig h TRP 123 Cb 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.80 1uig h TRP 123 CO 0.00 0.02 0.00 0.44 -3.56 0.00 0.00 178.44 175.34 1uig n ILE 124 N -3.13 0.23 -1.88 1.49 -5.35 -0.73 -4.83 119.36 105.16 1uig n ILE 124 Ca -0.00 -0.62 -0.41 0.00 -0.27 0.00 0.00 62.75 61.45 1uig n ILE 124 Cb 0.26 1.00 -0.01 0.00 -1.74 0.00 0.00 39.64 39.15 1uig n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1uig s ARG 125 N -0.70 4.18 0.00 6.28 3.52 -1.04 -2.18 118.95 129.02 1uig s ARG 125 Ca 0.10 2.47 0.00 0.00 -0.13 0.00 0.00 55.73 58.17 1uig s ARG 125 Cb 0.06 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.42 1uig s ARG 125 CO 0.09 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.49 1uig n GLY 126 N 1.54 1.64 3.85 8.12 0.00 -1.26 -5.04 105.19 114.05 1uig n GLY 126 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1uig n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uig s ARG 128 N -2.45 3.16 0.00 0.00 3.52 -1.26 -5.13 118.95 116.78 1uig s ARG 128 Ca 0.45 -0.79 0.05 0.00 -0.13 0.00 0.00 55.73 55.31 1uig s ARG 128 Cb -0.13 -4.15 0.04 0.00 -1.56 0.00 0.00 34.95 29.15 1uig s ARG 128 CO 0.20 -1.50 0.67 1.28 -0.81 0.00 0.00 175.30 175.14