#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1x s VAL 2 N 0.00 3.92 0.55 3.15 1.01 -1.26 -0.78 120.40 127.00 1j1x s VAL 2 Ca 0.00 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 60.72 1j1x s VAL 2 Cb 0.00 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1j1x s VAL 2 CO 0.00 -0.18 1.10 -0.36 0.00 0.00 0.00 175.10 175.66 1j1x s PHE 3 N 1.43 2.78 0.49 5.22 0.40 -0.13 -4.99 117.98 123.17 1j1x s PHE 3 Ca -0.01 1.55 -0.07 0.00 -0.60 0.00 0.00 56.93 57.80 1j1x s PHE 3 Cb -0.19 -3.19 -0.04 0.00 0.51 0.00 0.00 43.02 40.11 1j1x s PHE 3 CO 0.03 -1.36 0.82 0.20 0.70 0.00 0.00 175.22 175.62 1j1x s GLY 4 N -2.05 1.61 0.10 4.36 0.00 -1.26 -4.84 107.32 105.25 1j1x s GLY 4 Ca 0.70 -0.37 -0.29 0.00 0.00 0.00 0.00 44.72 44.75 1j1x s GLY 4 CO 0.28 -0.19 1.63 -0.09 0.00 0.00 0.00 173.10 174.73 1j1x h ARG 5 N 0.34 -0.59 -0.17 2.90 2.43 -1.96 -1.10 114.38 116.24 1j1x h ARG 5 Ca -0.47 0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 58.67 1j1x h ARG 5 Cb 1.20 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 1j1x h ARG 5 CO 0.62 -0.39 -0.24 0.00 -1.51 0.00 0.00 179.97 178.45 1j1x h GLU 7 N 0.27 1.02 -0.22 0.00 4.81 -1.86 -1.35 114.58 117.25 1j1x h GLU 7 Ca 0.04 -0.15 -0.20 0.00 -0.13 0.00 0.00 59.36 58.92 1j1x h GLU 7 Cb 0.58 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1j1x h GLU 7 CO 0.04 0.80 -0.64 1.25 -0.73 0.00 0.00 179.01 179.73 1j1x h LEU 8 N 0.98 0.92 -0.43 1.64 5.85 -0.91 -1.97 115.31 121.39 1j1x h LEU 8 Ca 0.24 -0.54 0.05 0.00 0.84 0.00 0.00 57.88 58.47 1j1x h LEU 8 Cb 0.13 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1j1x h LEU 8 CO -0.03 1.33 0.18 0.00 -0.34 0.00 0.00 178.44 179.58 1j1x h ALA 9 N 0.67 0.53 -0.65 1.25 0.00 -1.03 0.21 119.26 120.24 1j1x h ALA 9 Ca -0.01 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1j1x h ALA 9 Cb 1.26 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1j1x h ALA 9 CO 0.14 -0.20 0.20 0.00 0.00 0.00 0.00 179.25 179.38 1j1x h ALA 10 N 1.26 0.85 -0.46 0.00 0.00 -1.19 -1.83 119.26 117.89 1j1x h ALA 10 Ca 0.20 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1j1x h ALA 10 Cb 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1j1x h ALA 10 CO -0.18 0.53 0.04 0.00 0.00 0.00 0.00 179.25 179.64 1j1x h ALA 11 N 1.08 0.62 -0.05 0.00 0.00 -0.74 -1.94 119.26 118.23 1j1x h ALA 11 Ca 0.21 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1j1x h ALA 11 Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1j1x h ALA 11 CO -0.01 0.37 -0.30 0.52 0.00 0.00 0.00 179.25 179.84 1j1x h MET 12 N 0.64 0.09 -0.41 0.00 2.86 -0.47 -0.53 114.93 117.12 1j1x h MET 12 Ca 0.14 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.63 1j1x h MET 12 Cb 0.44 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1j1x h MET 12 CO 0.02 0.38 -0.21 -0.22 1.06 0.00 0.00 176.91 177.94 1j1x h LYS 13 N 0.08 0.87 -0.10 1.72 3.64 -1.07 -1.14 116.57 120.57 1j1x h LYS 13 Ca 0.01 -0.38 -0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1j1x h LYS 13 Cb 0.57 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1j1x h LYS 13 CO 0.04 1.03 -0.14 0.00 -2.27 0.00 0.00 179.45 178.11 1j1x h ARG 14 N 0.69 0.15 -0.75 1.90 3.08 -0.73 -1.96 114.38 116.77 1j1x h ARG 14 Ca 0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1j1x h ARG 14 Cb 0.77 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1j1x h ARG 14 CO 0.06 0.30 0.00 0.72 -1.07 0.00 0.00 179.97 179.98 1j1x n HIS 15 N -4.30 0.86 -2.73 3.04 8.25 -0.26 -4.92 115.22 115.16 1j1x n HIS 15 Ca -0.01 -0.31 -0.15 0.00 -0.26 0.00 0.00 57.72 56.99 1j1x n HIS 15 Cb 0.25 -0.25 0.02 0.00 1.12 0.00 0.00 29.99 31.14 1j1x n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j1x n GLY 16 N 0.37 -0.11 0.96 -1.41 0.00 -0.73 -4.95 105.19 99.32 1j1x n GLY 16 Ca 0.12 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.03 1j1x n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j1x n LEU 17 N -2.69 3.83 0.10 0.99 4.77 -0.48 -4.41 117.00 119.11 1j1x n LEU 17 Ca -0.08 -2.65 0.01 0.00 -0.03 0.00 0.00 56.01 53.25 1j1x n LEU 17 Cb 0.58 -0.47 0.33 0.00 -2.33 0.00 0.00 43.42 41.54 1j1x n LEU 17 CO 0.30 0.70 0.83 -0.78 -1.33 0.00 0.00 177.39 177.11 1j1x h ASP 18 N 2.27 0.27 -0.01 -1.43 -0.00 -1.83 -3.26 116.42 112.42 1j1x h ASP 18 Ca 0.00 -0.07 -0.21 0.00 -0.00 0.00 0.00 57.03 56.75 1j1x h ASP 18 Cb 1.28 -0.07 -0.15 0.00 -0.00 0.00 0.00 39.33 40.38 1j1x h ASP 18 CO 0.18 0.48 -0.35 -3.20 -0.00 0.00 0.00 179.24 176.35 1j1x n ASN 19 N -4.21 -1.77 -4.67 2.28 5.15 -1.24 -1.87 115.26 108.93 1j1x n ASN 19 Ca -0.01 -2.42 -0.43 0.00 -0.60 0.00 0.00 54.58 51.13 1j1x n ASN 19 Cb 0.32 0.93 -0.02 0.00 -0.53 0.00 0.00 39.78 40.48 1j1x n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1j1x s TYR 20 N 0.13 3.23 -1.50 1.20 5.04 -1.15 -3.97 117.35 120.33 1j1x s TYR 20 Ca 0.20 1.33 -0.01 0.00 -2.44 0.00 0.00 57.07 56.14 1j1x s TYR 20 Cb 0.41 -3.34 0.01 0.00 0.35 0.00 0.00 41.96 39.39 1j1x s TYR 20 CO -0.10 -0.92 0.24 0.54 -1.34 0.00 0.00 175.55 173.98 1j1x n ARG 21 N 5.77 -2.10 -0.98 4.97 5.12 -1.26 -1.48 116.66 126.70 1j1x n ARG 21 Ca 0.11 0.25 0.00 0.00 -1.93 0.00 0.00 57.85 56.28 1j1x n ARG 21 Cb 0.46 -4.11 0.00 0.00 -1.16 0.00 0.00 32.46 27.65 1j1x n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1j1x n GLY 22 N -2.22 0.69 3.35 -0.13 0.00 -1.25 -5.02 105.19 100.60 1j1x n GLY 22 Ca -0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 1j1x n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j1x s TYR 23 N -2.84 3.08 0.70 1.61 2.02 -0.55 -5.09 117.35 116.28 1j1x s TYR 23 Ca 0.00 -0.87 -0.15 0.00 -0.37 0.00 0.00 57.07 55.68 1j1x s TYR 23 Cb 0.00 -2.20 0.02 0.00 -0.40 0.00 0.00 41.96 39.38 1j1x s TYR 23 CO 0.00 -0.53 1.14 -1.54 -1.57 0.00 0.00 175.55 173.06 1j1x s SER 24 N 1.51 4.68 0.29 2.29 1.04 -1.26 -2.92 113.70 119.32 1j1x s SER 24 Ca 0.04 2.12 0.03 0.00 0.48 0.00 0.00 55.95 58.63 1j1x s SER 24 Cb -0.16 -2.56 0.69 0.00 0.10 0.00 0.00 66.02 64.08 1j1x s SER 24 CO 0.01 -1.92 1.73 0.25 0.98 0.00 0.00 173.24 174.29 1j1x h LEU 25 N -0.20 0.50 -2.00 2.42 5.85 -1.41 -1.06 115.31 119.41 1j1x h LEU 25 Ca -0.47 0.12 0.14 0.00 0.84 0.00 0.00 57.88 58.51 1j1x h LEU 25 Cb 1.26 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 1j1x h LEU 25 CO 0.52 0.12 0.34 1.23 -0.34 0.00 0.00 178.44 180.31 1j1x h GLY 26 N 0.55 0.00 0.97 3.75 0.00 -1.90 -1.34 103.07 105.10 1j1x h GLY 26 Ca 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.86 1j1x h GLY 26 CO -0.45 0.00 0.24 3.43 0.00 0.00 0.00 176.54 179.76 1j1x h ASN 27 N 0.00 0.54 -0.26 0.19 2.35 -1.41 -0.70 115.58 116.29 1j1x h ASN 27 Ca 0.22 -0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.75 1j1x h ASN 27 Cb 0.91 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 1j1x h ASN 27 CO -0.00 0.48 -0.31 -0.50 -1.65 0.00 0.00 177.43 175.44 1j1x h TRP 28 N 0.57 0.90 -0.20 1.19 4.06 -1.36 -0.17 115.95 120.94 1j1x h TRP 28 Ca 0.15 -0.24 -0.09 0.00 2.06 0.00 0.00 58.89 60.77 1j1x h TRP 28 Cb 0.05 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 28.01 1j1x h TRP 28 CO -0.02 0.99 -0.22 0.28 -3.56 0.00 0.00 178.44 175.90 1j1x h VAL 29 N 0.65 1.33 -0.66 1.49 2.07 -1.40 -1.81 116.25 117.93 1j1x h VAL 29 Ca 0.07 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.19 1j1x h VAL 29 Cb 0.85 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 1j1x h VAL 29 CO 0.07 0.43 0.40 0.00 0.02 0.00 0.00 177.57 178.49 1j1x h ALA 31 N 1.20 0.63 -0.78 0.00 0.00 -0.94 -2.06 119.26 117.32 1j1x h ALA 31 Ca 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1j1x h ALA 31 Cb -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1j1x h ALA 31 CO -0.04 0.04 0.34 0.00 0.00 0.00 0.00 179.25 179.58 1j1x h ALA 32 N 1.20 1.00 -0.16 0.00 0.00 -0.98 0.97 119.26 121.29 1j1x h ALA 32 Ca 0.19 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1j1x h ALA 32 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1j1x h ALA 32 CO -0.06 0.60 0.02 -0.22 0.00 0.00 0.00 179.25 179.60 1j1x h LYS 33 N 1.11 0.09 0.00 0.00 1.63 -0.70 -1.32 116.57 117.38 1j1x h LYS 33 Ca 0.26 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 1j1x h LYS 33 Cb 0.18 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1j1x h LYS 33 CO -0.03 0.06 -0.58 0.74 -3.45 0.00 0.00 179.45 176.19 1j1x h PHE 34 N 0.09 0.00 0.12 1.91 0.04 -1.25 -0.39 116.94 117.46 1j1x h PHE 34 Ca 0.07 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.58 1j1x h PHE 34 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1j1x h PHE 34 CO -0.13 0.00 -1.30 0.93 -0.60 0.00 0.00 178.31 177.21 1j1x h GLU 35 N 0.00 0.26 0.00 1.51 4.39 -0.74 -3.43 114.58 116.57 1j1x h GLU 35 Ca 0.00 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1j1x h GLU 35 Cb 0.83 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1j1x h GLU 35 CO 0.00 1.21 0.00 -1.13 -1.16 0.00 0.00 179.01 177.93 1j1x n SER 36 N -3.96 0.35 -3.62 1.42 3.41 -0.58 -4.82 113.62 105.83 1j1x n SER 36 Ca -0.23 -1.00 -0.25 0.00 -0.26 0.00 0.00 58.87 57.14 1j1x n SER 36 Cb 0.89 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.91 1j1x n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1j1x n ASN 37 N -0.00 -6.21 -0.55 4.04 5.15 -0.16 -2.09 115.26 115.44 1j1x n ASN 37 Ca 0.00 -0.56 -0.07 0.00 -0.60 0.00 0.00 54.58 53.35 1j1x n ASN 37 Cb 0.16 -4.89 -0.03 0.00 -0.53 0.00 0.00 39.78 34.49 1j1x n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1j1x n PHE 38 N -4.96 0.00 -3.31 1.20 3.72 -1.10 -4.85 117.46 108.15 1j1x n PHE 38 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 1j1x n PHE 38 Cb 0.56 -1.98 -0.09 0.00 -0.94 0.00 0.00 39.48 37.03 1j1x n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1j1x s ASN 39 N -2.42 6.23 0.52 4.37 2.47 -0.89 -0.96 114.94 124.26 1j1x s ASN 39 Ca 0.00 -0.33 0.34 0.00 0.42 0.00 0.00 52.86 53.29 1j1x s ASN 39 Cb 0.00 -2.23 1.61 0.00 -1.45 0.00 0.00 41.25 39.18 1j1x s ASN 39 CO 0.00 -0.49 2.03 0.71 -3.72 0.00 0.00 177.10 175.63 1j1x h THR 40 N 5.65 0.00 -0.28 -5.21 1.35 -1.29 -2.71 112.91 110.42 1j1x h THR 40 Ca -0.28 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1j1x h THR 40 Cb 1.12 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1j1x h THR 40 CO 0.76 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.03 1j1x n GLN 41 N -2.87 2.45 -1.80 4.72 1.13 -1.26 -3.91 117.38 115.84 1j1x n GLN 41 Ca -0.00 -2.16 -0.41 0.00 -1.94 0.00 0.00 57.00 52.48 1j1x n GLN 41 Cb 0.20 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.03 1j1x n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j1x s ALA 42 N -1.66 3.70 -0.01 -1.58 0.00 -1.02 -4.77 121.76 116.42 1j1x s ALA 42 Ca 0.36 1.55 -0.02 0.00 0.00 0.00 0.00 51.96 53.84 1j1x s ALA 42 Cb 0.22 -3.63 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 1j1x s ALA 42 CO 0.31 -0.98 0.05 0.95 0.00 0.00 0.00 175.76 176.09 1j1x s THR 43 N -0.21 0.05 -0.09 0.00 -4.23 -1.26 -0.69 115.64 109.20 1j1x s THR 43 Ca 0.61 -0.39 -0.03 0.00 -1.18 0.00 0.00 61.69 60.70 1j1x s THR 43 Cb -0.47 -0.20 0.05 0.00 1.34 0.00 0.00 72.50 73.22 1j1x s THR 43 CO 0.50 -0.21 0.11 0.21 -0.54 0.00 0.00 174.62 174.69 1j1x s ASN 44 N -0.65 1.26 0.00 3.99 2.47 -0.77 -4.97 114.94 116.27 1j1x s ASN 44 Ca -0.07 0.01 -0.30 0.00 0.42 0.00 0.00 52.86 52.92 1j1x s ASN 44 Cb -0.04 0.02 -0.04 0.00 -1.45 0.00 0.00 41.25 39.74 1j1x s ASN 44 CO 0.00 -0.27 1.05 -0.13 -3.72 0.00 0.00 177.10 174.03 1j1x s ARG 45 N 2.22 4.50 0.38 0.43 0.52 -1.26 -1.08 118.95 124.65 1j1x s ARG 45 Ca 0.04 1.53 0.06 0.00 -0.52 0.00 0.00 55.73 56.84 1j1x s ARG 45 Cb -0.13 -3.44 -0.00 0.00 0.52 0.00 0.00 34.95 31.90 1j1x s ARG 45 CO -0.06 -0.15 0.52 -0.80 0.02 0.00 0.00 175.30 174.84 1j1x s ASN 46 N 1.06 5.84 0.14 0.23 0.01 0.98 -4.99 114.94 118.20 1j1x s ASN 46 Ca 0.54 -0.22 -0.18 0.00 -0.71 0.00 0.00 52.86 52.29 1j1x s ASN 46 Cb -0.23 -1.06 -0.02 0.00 0.41 0.00 0.00 41.25 40.35 1j1x s ASN 46 CO 0.27 -0.58 1.78 0.74 -1.51 0.00 0.00 177.10 177.81 1j1x h THR 47 N 0.75 1.03 0.00 1.60 2.02 -1.97 -2.55 112.91 113.80 1j1x h THR 47 Ca -0.44 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1j1x h THR 47 Cb 1.26 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1j1x h THR 47 CO 0.51 0.06 0.00 -0.90 0.37 0.00 0.00 175.52 175.56 1j1x n ASP 48 N -4.92 0.00 0.00 4.18 5.75 -1.26 -4.76 116.55 115.54 1j1x n ASP 48 Ca -0.01 -0.64 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 1j1x n ASP 48 Cb 0.05 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1j1x n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j1x n GLY 49 N -0.17 1.51 3.92 6.12 0.00 -0.96 -4.67 105.19 110.93 1j1x n GLY 49 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1j1x n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j1x s SER 50 N -3.09 4.79 0.01 1.61 1.04 -1.26 -4.58 113.70 112.21 1j1x s SER 50 Ca 0.00 0.61 0.01 0.00 0.48 0.00 0.00 55.95 57.05 1j1x s SER 50 Cb 0.00 -1.23 -0.01 0.00 0.10 0.00 0.00 66.02 64.88 1j1x s SER 50 CO 0.00 -1.66 -0.04 -0.89 0.98 0.00 0.00 173.24 171.63 1j1x s THR 51 N -3.35 0.32 -0.19 2.02 2.01 -1.26 -0.02 115.64 115.18 1j1x s THR 51 Ca 0.60 -0.44 -0.13 0.00 0.31 0.00 0.00 61.69 62.04 1j1x s THR 51 Cb -0.11 -0.32 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 1j1x s THR 51 CO 0.46 -0.08 0.26 -1.81 -0.69 0.00 0.00 174.62 172.76 1j1x s ASP 52 N -0.56 6.34 -0.05 3.53 -0.00 -0.24 -1.05 116.67 124.64 1j1x s ASP 52 Ca -0.03 0.39 0.05 0.00 -0.00 0.00 0.00 52.55 52.96 1j1x s ASP 52 Cb -0.04 -2.16 -0.02 0.00 -0.00 0.00 0.00 42.92 40.70 1j1x s ASP 52 CO -0.00 0.08 -0.18 -0.31 -0.00 0.00 0.00 175.17 174.76 1j1x s TYR 53 N 0.67 2.60 0.00 4.23 1.51 0.55 -1.85 117.35 125.06 1j1x s TYR 53 Ca 0.14 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 1j1x s TYR 53 Cb -0.13 -1.61 0.00 0.00 -0.11 0.00 0.00 41.96 40.11 1j1x s TYR 53 CO 0.03 0.08 0.00 0.41 -1.11 0.00 0.00 175.55 174.97 1j1x n GLY 54 N 2.46 -1.81 0.40 0.71 0.00 0.14 -1.04 105.19 106.04 1j1x n GLY 54 Ca -0.17 -1.33 0.20 0.00 0.00 0.00 0.00 46.02 44.72 1j1x n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1j1x h ILE 55 N 0.00 0.68 -0.19 -0.61 6.09 -1.67 -0.98 117.51 120.82 1j1x h ILE 55 Ca 0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1j1x h ILE 55 Cb 0.00 0.32 0.00 0.00 0.47 0.00 0.00 36.82 37.61 1j1x h ILE 55 CO 0.00 0.06 0.00 0.18 -3.07 0.00 0.00 178.15 175.32 1j1x n LEU 56 N -4.47 3.24 -3.98 2.19 4.77 -1.26 -4.11 117.00 113.38 1j1x n LEU 56 Ca 0.18 -2.81 -0.40 0.00 -0.03 0.00 0.00 56.01 52.95 1j1x n LEU 56 Cb 0.70 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1j1x n LEU 56 CO 0.32 0.68 -0.18 0.00 -1.33 0.00 0.00 177.39 176.88 1j1x n GLN 57 N -0.58 -0.63 -2.79 3.23 1.13 -0.37 -4.89 117.38 112.48 1j1x n GLN 57 Ca 0.17 0.28 -0.41 0.00 -1.94 0.00 0.00 57.00 55.10 1j1x n GLN 57 Cb 0.72 -2.52 -0.03 0.00 0.11 0.00 0.00 30.24 28.52 1j1x n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1j1x s ILE 58 N -3.37 4.91 0.21 5.09 1.01 -0.20 -4.42 121.20 124.42 1j1x s ILE 58 Ca 0.36 1.92 -0.30 0.00 0.00 0.00 0.00 60.65 62.63 1j1x s ILE 58 Cb -0.19 -4.26 -0.08 0.00 0.01 0.00 0.00 42.46 37.94 1j1x s ILE 58 CO 0.95 0.18 1.09 0.21 0.00 0.00 0.00 174.94 177.36 1j1x s ASN 59 N 0.96 7.30 0.00 3.58 2.47 -1.26 -0.33 114.94 127.66 1j1x s ASN 59 Ca 0.49 2.12 0.30 0.00 0.42 0.00 0.00 52.86 56.19 1j1x s ASN 59 Cb -0.20 -2.61 1.53 0.00 -1.45 0.00 0.00 41.25 38.52 1j1x s ASN 59 CO 0.26 -0.17 2.06 -1.54 -3.72 0.00 0.00 177.10 173.99 1j1x n SER 60 N 2.00 0.02 0.02 -4.21 3.41 -0.22 -1.51 113.62 113.13 1j1x n SER 60 Ca 0.01 -0.21 -0.13 0.00 -0.26 0.00 0.00 58.87 58.28 1j1x n SER 60 Cb 0.46 -0.26 -0.14 0.00 -0.26 0.00 0.00 64.21 64.01 1j1x n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1j1x h ARG 61 N 0.03 0.13 0.00 4.33 2.43 -1.84 -3.42 114.38 116.04 1j1x h ARG 61 Ca 0.00 -0.22 -0.14 0.00 -0.81 0.00 0.00 59.98 58.81 1j1x h ARG 61 Cb 0.27 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1j1x h ARG 61 CO 0.00 0.88 -1.54 0.91 -1.51 0.00 0.00 179.97 178.71 1j1x n TRP 62 N -3.29 0.00 -0.13 2.20 7.02 -1.23 -0.95 117.44 121.06 1j1x n TRP 62 Ca -0.18 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.08 1j1x n TRP 62 Cb 1.04 -0.37 -0.11 0.00 -2.42 0.00 0.00 31.31 29.44 1j1x n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1j1x n TRP 63 N -2.68 0.01 -4.34 -5.99 7.02 -0.57 0.37 117.44 111.27 1j1x n TRP 63 Ca -0.16 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.14 1j1x n TRP 63 Cb 0.69 -1.00 -0.10 0.00 -2.42 0.00 0.00 31.31 28.48 1j1x n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1j1x s ASN 65 N -3.26 5.39 0.00 0.00 2.47 -0.60 -4.31 114.94 114.63 1j1x s ASN 65 Ca 0.21 -0.14 0.08 0.00 0.42 0.00 0.00 52.86 53.43 1j1x s ASN 65 Cb -0.01 -1.98 0.16 0.00 -1.45 0.00 0.00 41.25 37.98 1j1x s ASN 65 CO 0.06 -0.03 1.01 -0.90 -3.72 0.00 0.00 177.10 173.52 1j1x n ASP 66 N 4.91 2.28 0.00 -4.21 5.75 -1.26 -1.28 116.55 122.73 1j1x n ASP 66 Ca -0.16 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 1j1x n ASP 66 Cb 0.52 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1j1x n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j1x n GLY 67 N 0.35 0.16 0.15 6.12 0.00 -1.26 -4.79 105.19 105.93 1j1x n GLY 67 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1j1x n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j1x n ARG 68 N -0.31 0.82 -4.10 1.61 1.74 -1.26 -5.06 116.66 110.10 1j1x n ARG 68 Ca 0.00 -1.19 -0.34 0.00 -0.77 0.00 0.00 57.85 55.55 1j1x n ARG 68 Cb 0.33 -0.77 -0.14 0.00 -1.02 0.00 0.00 32.46 30.86 1j1x n ARG 68 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1j1x s THR 69 N -0.68 3.18 0.29 0.55 2.01 -1.26 -4.87 115.64 114.86 1j1x s THR 69 Ca 0.05 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 1j1x s THR 69 Cb 0.05 -2.42 -0.11 0.00 0.01 0.00 0.00 72.50 70.03 1j1x s THR 69 CO 0.00 0.46 1.48 -2.84 -0.69 0.00 0.00 174.62 173.03 1j1x s PRO 70 N 1.22 4.21 -1.18 4.92 0.02 -1.26 -2.84 135.00 140.09 1j1x s PRO 70 Ca 0.02 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.45 1j1x s PRO 70 Cb -0.14 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1j1x s PRO 70 CO -0.03 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 1j1x n GLY 71 N 1.78 0.88 3.74 0.52 0.00 -1.26 -4.93 105.19 105.92 1j1x n GLY 71 Ca 0.06 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1j1x n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j1x n SER 72 N 0.00 3.53 -0.04 1.61 2.88 -1.13 -4.83 113.62 115.63 1j1x n SER 72 Ca -0.12 1.19 -0.03 0.00 -1.33 0.00 0.00 58.87 58.57 1j1x n SER 72 Cb 0.45 -1.57 -0.08 0.00 -0.75 0.00 0.00 64.21 62.26 1j1x n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1j1x n ARG 73 N 1.13 1.99 -3.82 -1.46 5.12 -0.13 -5.00 116.66 114.50 1j1x n ARG 73 Ca 0.05 -0.02 -0.23 0.00 -1.93 0.00 0.00 57.85 55.72 1j1x n ARG 73 Cb 0.37 -1.27 0.01 0.00 -1.16 0.00 0.00 32.46 30.41 1j1x n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1j1x n ASN 74 N -2.31 -0.86 0.01 0.55 4.05 -1.09 -4.86 115.26 110.75 1j1x n ASN 74 Ca -0.15 -0.90 0.18 0.00 0.45 0.00 0.00 54.58 54.16 1j1x n ASN 74 Cb 0.75 -3.61 0.66 0.00 1.23 0.00 0.00 39.78 38.81 1j1x n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1j1x h LEU 75 N -1.85 0.06 -0.70 1.20 3.38 -0.03 -0.13 115.31 117.24 1j1x h LEU 75 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1j1x h LEU 75 Cb 1.37 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1j1x h LEU 75 CO 0.59 0.03 -0.03 0.00 0.09 0.00 0.00 178.44 179.13 1j1x n ASN 77 N -0.18 -3.79 -3.63 0.00 3.02 -0.06 -4.97 115.26 105.65 1j1x n ASN 77 Ca 0.19 -1.09 -0.15 0.00 -0.03 0.00 0.00 54.58 53.49 1j1x n ASN 77 Cb 0.30 -2.84 -0.07 0.00 -0.61 0.00 0.00 39.78 36.56 1j1x n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1j1x s ILE 78 N -3.62 0.01 0.19 2.41 1.10 -1.26 -5.08 121.20 114.96 1j1x s ILE 78 Ca 0.37 -0.09 -0.30 0.00 -0.51 0.00 0.00 60.65 60.12 1j1x s ILE 78 Cb -0.15 -0.86 -0.08 0.00 0.15 0.00 0.00 42.46 41.52 1j1x s ILE 78 CO 0.90 -0.05 1.08 -2.16 -2.11 0.00 0.00 174.94 172.60 1j1x s PRO 79 N -0.62 4.62 0.54 3.50 0.04 -1.26 -1.55 135.00 140.27 1j1x s PRO 79 Ca -0.07 1.70 0.26 0.00 0.04 0.00 0.00 61.00 62.93 1j1x s PRO 79 Cb -0.03 -3.27 1.44 0.00 0.04 0.00 0.00 34.50 32.68 1j1x s PRO 79 CO 0.05 0.13 2.00 0.00 0.04 0.00 0.00 177.00 179.23 1j1x h SER 81 N 0.00 0.64 0.23 0.00 4.64 -1.91 0.04 113.55 117.18 1j1x h SER 81 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1j1x h SER 81 Cb 0.93 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1j1x h SER 81 CO -0.00 0.42 0.00 0.00 -0.87 0.00 0.00 176.83 176.38 1j1x h ALA 82 N 1.62 1.00 -0.32 5.18 0.00 -1.51 -1.08 119.26 124.16 1j1x h ALA 82 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1j1x h ALA 82 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1j1x h ALA 82 CO -0.09 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.44 1j1x n LEU 83 N -2.62 2.33 -0.83 0.00 4.77 -0.00 -4.00 117.00 116.65 1j1x n LEU 83 Ca -0.01 -1.05 0.08 0.00 -0.03 0.00 0.00 56.01 54.99 1j1x n LEU 83 Cb 0.11 -0.21 0.24 0.00 -2.33 0.00 0.00 43.42 41.23 1j1x n LEU 83 CO 0.16 0.53 0.69 0.18 -1.33 0.00 0.00 177.39 177.62 1j1x n LEU 84 N 0.76 3.75 -4.91 2.23 4.77 -0.41 -3.69 117.00 119.50 1j1x n LEU 84 Ca 0.17 -3.09 -0.27 0.00 -0.03 0.00 0.00 56.01 52.78 1j1x n LEU 84 Cb 0.41 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1j1x n LEU 84 CO 0.13 0.73 0.32 -0.55 -1.33 0.00 0.00 177.39 176.68 1j1x s SER 85 N -2.09 6.33 0.35 -1.43 0.15 -1.26 -4.57 113.70 111.19 1j1x s SER 85 Ca 0.41 0.76 0.27 0.00 0.70 0.00 0.00 55.95 58.09 1j1x s SER 85 Cb 0.34 -2.17 1.00 0.00 -1.71 0.00 0.00 66.02 63.48 1j1x s SER 85 CO 0.07 -0.41 1.79 0.28 1.20 0.00 0.00 173.24 176.18 1j1x h SER 86 N 0.74 0.00 -3.48 5.45 0.02 -1.95 -3.40 113.55 110.93 1j1x h SER 86 Ca -0.48 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 59.86 1j1x h SER 86 Cb 1.20 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.64 1j1x h SER 86 CO 0.63 0.00 0.33 -0.62 -1.14 0.00 0.00 176.83 176.03 1j1x s ASP 87 N -4.89 6.60 0.00 3.07 -1.08 -1.26 -4.95 116.67 114.16 1j1x s ASP 87 Ca 0.05 0.54 0.21 0.00 -0.52 0.00 0.00 52.55 52.83 1j1x s ASP 87 Cb 0.09 -2.39 1.13 0.00 -1.46 0.00 0.00 42.92 40.30 1j1x s ASP 87 CO 0.50 -0.61 1.74 2.30 0.52 0.00 0.00 175.17 179.62 1j1x n ILE 88 N 5.55 0.04 -0.14 4.11 -5.35 -1.26 -4.43 119.36 117.88 1j1x n ILE 88 Ca 0.02 -0.08 -0.11 0.00 -0.27 0.00 0.00 62.75 62.31 1j1x n ILE 88 Cb 0.48 -0.15 -0.07 0.00 -1.74 0.00 0.00 39.64 38.16 1j1x n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1j1x h THR 89 N 0.54 0.06 -0.75 7.28 2.02 -1.94 -0.37 112.91 119.75 1j1x h THR 89 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1j1x h THR 89 Cb 0.12 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 1j1x h THR 89 CO 0.00 0.00 0.28 0.00 0.37 0.00 0.00 175.52 176.17 1j1x h ALA 90 N 0.24 1.09 -0.60 6.16 0.00 -1.83 -0.84 119.26 123.48 1j1x h ALA 90 Ca 0.11 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1j1x h ALA 90 Cb 0.59 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1j1x h ALA 90 CO -0.60 0.64 0.18 0.77 0.00 0.00 0.00 179.25 180.25 1j1x h SER 91 N 1.09 0.87 -0.40 0.00 0.02 -1.70 -1.45 113.55 111.98 1j1x h SER 91 Ca 0.25 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1j1x h SER 91 Cb 0.23 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1j1x h SER 91 CO -0.02 0.85 0.04 0.58 -1.14 0.00 0.00 176.83 177.14 1j1x h VAL 92 N 0.85 1.25 -0.49 2.27 2.07 -0.77 0.09 116.25 121.53 1j1x h VAL 92 Ca 0.19 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.83 1j1x h VAL 92 Cb 0.29 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1j1x h VAL 92 CO -0.01 0.31 0.24 0.78 0.02 0.00 0.00 177.57 178.92 1j1x h ASN 93 N 0.52 0.34 -0.37 0.57 2.35 -0.96 -1.06 115.58 116.98 1j1x h ASN 93 Ca 0.12 0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.75 1j1x h ASN 93 Cb 0.41 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1j1x h ASN 93 CO 0.01 0.24 -0.36 0.00 -1.65 0.00 0.00 177.43 175.67 1j1x h ALA 95 N 0.83 1.57 -0.35 0.00 0.00 -0.62 -1.01 119.26 119.68 1j1x h ALA 95 Ca 0.07 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1j1x h ALA 95 Cb 0.94 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1j1x h ALA 95 CO 0.09 0.36 -0.16 0.87 0.00 0.00 0.00 179.25 180.41 1j1x h LYS 96 N 0.66 0.64 -0.16 0.00 1.57 -1.02 -1.00 116.57 117.26 1j1x h LYS 96 Ca 0.17 -0.22 -0.21 0.00 -1.87 0.00 0.00 60.65 58.52 1j1x h LYS 96 Cb 0.01 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.27 1j1x h LYS 96 CO -0.03 0.77 -0.74 -0.22 -0.57 0.00 0.00 179.45 178.65 1j1x h LYS 97 N 0.58 0.73 0.04 3.15 3.64 -1.19 -2.61 116.57 120.91 1j1x h LYS 97 Ca 0.10 -0.58 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1j1x h LYS 97 Cb 0.60 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1j1x h LYS 97 CO 0.04 1.20 -0.02 0.82 -2.27 0.00 0.00 179.45 179.22 1j1x h ILE 98 N 0.51 0.97 0.00 2.00 2.04 -0.98 -2.47 117.51 119.59 1j1x h ILE 98 Ca -0.04 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1j1x h ILE 98 Cb 1.36 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1j1x h ILE 98 CO 0.15 0.01 0.00 0.55 0.00 0.00 0.00 178.15 178.86 1j1x n VAL 99 N -5.11 0.89 1.93 1.67 3.14 -0.40 -1.99 118.33 118.45 1j1x n VAL 99 Ca -0.07 0.27 0.16 0.00 -2.96 0.00 0.00 64.34 61.73 1j1x n VAL 99 Cb 0.06 -1.18 0.90 0.00 -1.06 0.00 0.00 33.84 32.56 1j1x n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1j1x n SER 100 N -2.12 0.14 -4.92 6.55 7.64 -0.93 -4.17 113.62 115.82 1j1x n SER 100 Ca 0.02 -1.00 -0.27 0.00 1.01 0.00 0.00 58.87 58.63 1j1x n SER 100 Cb 0.20 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.40 1j1x n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1j1x s ASP 101 N -2.03 6.07 0.60 6.43 2.15 -0.84 -4.96 116.67 124.08 1j1x s ASP 101 Ca 0.46 0.79 0.31 0.00 0.43 0.00 0.00 52.55 54.54 1j1x s ASP 101 Cb 0.22 -2.04 1.82 0.00 -0.30 0.00 0.00 42.92 42.62 1j1x s ASP 101 CO 0.37 -0.69 2.20 1.23 -0.17 0.00 0.00 175.17 178.11 1j1x h GLY 102 N 0.18 0.00 2.00 2.66 0.00 -1.88 -1.00 103.07 105.03 1j1x h GLY 102 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1j1x h GLY 102 CO 0.61 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.85 1j1x n ASN 103 N -3.71 0.08 0.00 0.19 3.02 -1.26 -4.96 115.26 108.63 1j1x n ASN 103 Ca -0.01 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 1j1x n ASN 103 Cb 0.19 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 1j1x n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j1x n GLY 104 N 0.50 2.37 0.00 7.41 0.00 -0.38 -1.57 105.19 113.53 1j1x n GLY 104 Ca 0.05 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.92 1j1x n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1j1x n MET 105 N 14.00 0.82 0.01 1.61 2.81 -1.26 -3.30 117.12 131.81 1j1x n MET 105 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.94 1j1x n MET 105 Cb 0.00 -1.49 0.20 0.00 -0.71 0.00 0.00 33.22 31.22 1j1x n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1j1x n ASN 106 N -0.99 0.03 0.25 7.83 3.02 -0.61 -1.31 115.26 123.49 1j1x n ASN 106 Ca 0.19 0.51 0.12 0.00 -0.03 0.00 0.00 54.58 55.37 1j1x n ASN 106 Cb 0.09 -0.52 0.68 0.00 -0.61 0.00 0.00 39.78 39.42 1j1x n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j1x h ALA 107 N 2.29 1.27 -2.10 5.41 0.00 -1.72 -3.38 119.26 121.03 1j1x h ALA 107 Ca 0.00 -0.13 -0.71 0.00 0.00 0.00 0.00 54.91 54.08 1j1x h ALA 107 Cb 0.15 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 17.72 1j1x h ALA 107 CO 0.00 0.18 -0.04 -1.58 0.00 0.00 0.00 179.25 177.81 1j1x s TRP 108 N -4.15 3.10 0.21 0.00 0.51 -0.43 -4.95 118.94 113.23 1j1x s TRP 108 Ca -0.02 -0.77 -0.09 0.00 -2.12 0.00 0.00 56.10 53.10 1j1x s TRP 108 Cb 0.13 -3.57 0.23 0.00 -0.81 0.00 0.00 33.47 29.44 1j1x s TRP 108 CO 0.60 -1.03 1.83 0.28 -0.51 0.00 0.00 176.95 178.11 1j1x h VAL 109 N 5.85 1.03 -0.71 4.03 2.07 -1.85 -0.70 116.25 125.97 1j1x h VAL 109 Ca -0.28 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 1j1x h VAL 109 Cb 1.10 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1j1x h VAL 109 CO 0.98 0.14 0.18 0.00 0.02 0.00 0.00 177.57 178.90 1j1x h ALA 110 N 1.33 0.94 -0.42 1.67 0.00 -1.92 -0.71 119.26 120.15 1j1x h ALA 110 Ca 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1j1x h ALA 110 Cb 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1j1x h ALA 110 CO -0.15 0.65 0.23 2.35 0.00 0.00 0.00 179.25 182.34 1j1x h TRP 111 N 1.07 0.57 -0.95 0.00 7.01 -1.72 0.28 115.95 122.22 1j1x h TRP 111 Ca 0.22 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.21 1j1x h TRP 111 Cb 0.36 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.19 1j1x h TRP 111 CO 0.03 0.44 0.59 -0.09 -2.79 0.00 0.00 178.44 176.61 1j1x h ARG 112 N 0.54 1.28 0.01 2.65 2.43 -0.77 0.32 114.38 120.84 1j1x h ARG 112 Ca 0.15 -0.11 -0.25 0.00 -0.81 0.00 0.00 59.98 58.96 1j1x h ARG 112 Cb 0.05 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 1j1x h ARG 112 CO -0.02 0.88 -1.28 -0.91 -1.51 0.00 0.00 179.97 177.12 1j1x h ASN 113 N 1.30 0.04 0.00 -3.80 -0.26 -0.79 -3.37 115.58 108.70 1j1x h ASN 113 Ca 0.34 -0.05 0.00 0.00 -0.56 0.00 0.00 56.30 56.03 1j1x h ASN 113 Cb -0.08 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.17 1j1x h ASN 113 CO -0.07 1.04 -0.32 0.54 -1.06 0.00 0.00 177.43 177.57 1j1x n ARG 114 N -3.26 4.95 -0.03 0.81 5.12 0.96 -4.88 116.66 120.33 1j1x n ARG 114 Ca -0.07 -0.01 -0.06 0.00 -1.93 0.00 0.00 57.85 55.79 1j1x n ARG 114 Cb 0.99 -0.73 -0.02 0.00 -1.16 0.00 0.00 32.46 31.54 1j1x n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1j1x n LYS 116 N -3.19 2.02 -0.11 0.00 4.81 0.10 -0.95 118.16 120.84 1j1x n LYS 116 Ca -0.11 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1j1x n LYS 116 Cb 0.58 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 33.09 1j1x n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j1x n GLY 117 N 4.01 0.78 3.94 3.14 0.00 -1.26 -4.92 105.19 110.88 1j1x n GLY 117 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 1j1x n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j1x s THR 118 N -2.40 2.52 -1.22 2.61 -4.23 -0.13 -5.00 115.64 107.79 1j1x s THR 118 Ca 0.00 -1.22 -0.19 0.00 -1.18 0.00 0.00 61.69 59.10 1j1x s THR 118 Cb 0.00 -2.75 -0.01 0.00 1.34 0.00 0.00 72.50 71.08 1j1x s THR 118 CO 0.00 0.00 1.93 -0.67 -0.54 0.00 0.00 174.62 175.34 1j1x n ASP 119 N -1.76 3.86 0.28 3.99 2.03 -1.26 -4.76 116.55 118.92 1j1x n ASP 119 Ca 0.06 -2.81 0.12 0.00 0.52 0.00 0.00 54.79 52.68 1j1x n ASP 119 Cb 0.61 -1.62 0.80 0.00 -0.72 0.00 0.00 41.12 40.20 1j1x n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1j1x h VAL 120 N 5.16 0.71 -0.12 5.18 -1.51 -1.90 -1.60 116.25 122.17 1j1x h VAL 120 Ca 0.42 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.92 1j1x h VAL 120 Cb 0.80 0.99 -0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1j1x h VAL 120 CO 1.59 0.00 0.10 -0.61 -1.23 0.00 0.00 177.57 177.42 1j1x h GLN 121 N 0.00 0.00 -0.31 5.19 5.75 -1.87 -1.02 115.11 122.85 1j1x h GLN 121 Ca 0.01 0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.60 1j1x h GLN 121 Cb 0.03 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 1j1x h GLN 121 CO -0.00 0.00 0.26 0.00 -2.65 0.00 0.00 178.83 176.44 1j1x h ALA 122 N 1.91 2.15 0.00 3.38 0.00 -1.68 -1.03 119.26 123.99 1j1x h ALA 122 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1j1x h ALA 122 Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1j1x h ALA 122 CO -0.00 -0.42 0.00 0.91 0.00 0.00 0.00 179.25 179.74 1j1x n TRP 123 N -4.17 0.40 0.23 0.00 7.02 -0.39 -2.89 117.44 117.65 1j1x n TRP 123 Ca 0.05 0.15 0.02 0.00 -1.02 0.00 0.00 57.50 56.70 1j1x n TRP 123 Cb 0.42 -0.75 -0.01 0.00 -2.42 0.00 0.00 31.31 28.55 1j1x n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1j1x n ILE 124 N -1.86 0.00 -2.50 -0.99 -6.64 -0.41 -4.83 119.36 102.13 1j1x n ILE 124 Ca 0.03 -0.42 -0.35 0.00 -1.77 0.00 0.00 62.75 60.24 1j1x n ILE 124 Cb 0.22 1.03 -0.03 0.00 -1.44 0.00 0.00 39.64 39.42 1j1x n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 1j1x s ARG 125 N -1.17 3.88 -0.14 6.28 0.52 -1.07 -3.46 118.95 123.80 1j1x s ARG 125 Ca 0.03 1.47 0.00 0.00 -0.52 0.00 0.00 55.73 56.71 1j1x s ARG 125 Cb 0.04 -2.26 0.00 0.00 0.52 0.00 0.00 34.95 33.25 1j1x s ARG 125 CO 0.16 -0.38 0.00 0.41 0.02 0.00 0.00 175.30 175.52 1j1x n GLY 126 N 0.04 0.44 3.28 -3.53 0.00 -1.26 -5.03 105.19 99.13 1j1x n GLY 126 Ca 0.08 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.86 1j1x n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j1x s ARG 128 N -1.39 3.71 0.00 0.00 1.81 -1.26 -5.14 118.95 116.67 1j1x s ARG 128 Ca 0.08 0.28 0.08 0.00 -1.72 0.00 0.00 55.73 54.45 1j1x s ARG 128 Cb -0.09 -3.83 0.06 0.00 -0.45 0.00 0.00 34.95 30.64 1j1x s ARG 128 CO 0.03 -0.91 0.74 1.28 -0.68 0.00 0.00 175.30 175.76