#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1p s VAL 2 N 0.00 3.58 0.53 3.15 1.01 -1.26 -0.79 120.40 126.63 1j1p s VAL 2 Ca 0.00 -1.25 -0.19 0.00 0.00 0.00 0.00 61.98 60.54 1j1p s VAL 2 Cb 0.00 -3.06 -0.06 0.00 0.00 0.00 0.00 36.38 33.25 1j1p s VAL 2 CO 0.00 -0.20 1.08 -0.36 0.00 0.00 0.00 175.10 175.62 1j1p s PHE 3 N 1.35 2.87 0.48 5.22 0.40 -0.08 -4.99 117.98 123.23 1j1p s PHE 3 Ca -0.02 1.56 -0.07 0.00 -0.60 0.00 0.00 56.93 57.80 1j1p s PHE 3 Cb -0.20 -3.14 -0.04 0.00 0.51 0.00 0.00 43.02 40.15 1j1p s PHE 3 CO 0.02 -1.16 0.81 0.20 0.70 0.00 0.00 175.22 175.78 1j1p s GLY 4 N -2.05 1.60 0.11 4.36 0.00 -1.26 -4.83 107.32 105.24 1j1p s GLY 4 Ca 0.69 -0.40 -0.29 0.00 0.00 0.00 0.00 44.72 44.72 1j1p s GLY 4 CO 0.26 -0.22 1.62 -0.09 0.00 0.00 0.00 173.10 174.67 1j1p h ARG 5 N 0.35 -0.57 -0.33 2.90 2.43 -1.96 -1.04 114.38 116.16 1j1p h ARG 5 Ca -0.47 0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 58.66 1j1p h ARG 5 Cb 1.20 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 1j1p h ARG 5 CO 0.62 -0.38 -0.14 0.00 -1.51 0.00 0.00 179.97 178.56 1j1p h GLU 7 N 0.53 0.86 -0.28 0.00 4.81 -1.86 -1.26 114.58 117.38 1j1p h GLU 7 Ca 0.09 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.10 1j1p h GLU 7 Cb 0.55 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1j1p h GLU 7 CO 0.03 0.58 -0.50 1.25 -0.73 0.00 0.00 179.01 179.65 1j1p h LEU 8 N 0.88 0.85 -0.64 1.64 5.85 -0.95 -2.03 115.31 120.91 1j1p h LEU 8 Ca 0.24 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.55 1j1p h LEU 8 Cb -0.09 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.66 1j1p h LEU 8 CO -0.05 1.20 0.40 0.00 -0.34 0.00 0.00 178.44 179.65 1j1p h ALA 9 N 0.82 0.83 -0.49 1.25 0.00 -0.94 0.20 119.26 120.93 1j1p h ALA 9 Ca 0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1j1p h ALA 9 Cb 1.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1j1p h ALA 9 CO 0.11 0.16 0.01 0.00 0.00 0.00 0.00 179.25 179.54 1j1p h ALA 10 N 1.27 0.66 -0.44 0.00 0.00 -1.15 -1.89 119.26 117.71 1j1p h ALA 10 Ca 0.26 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1j1p h ALA 10 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1j1p h ALA 10 CO -0.10 0.45 0.15 0.00 0.00 0.00 0.00 179.25 179.75 1j1p h ALA 11 N 0.93 0.58 0.00 0.00 0.00 -0.88 -1.69 119.26 118.21 1j1p h ALA 11 Ca 0.14 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1j1p h ALA 11 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1j1p h ALA 11 CO 0.02 0.22 -0.28 0.52 0.00 0.00 0.00 179.25 179.74 1j1p h MET 12 N 0.58 0.00 -0.29 0.00 2.86 -0.53 -0.48 114.93 117.07 1j1p h MET 12 Ca 0.14 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.63 1j1p h MET 12 Cb 0.25 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1j1p h MET 12 CO -0.01 0.28 -0.42 -0.22 1.06 0.00 0.00 176.91 177.60 1j1p h LYS 13 N 0.00 0.80 -0.11 1.72 3.64 -0.97 -1.20 116.57 120.44 1j1p h LYS 13 Ca -0.00 -0.47 -0.05 0.00 -1.27 0.00 0.00 60.65 58.86 1j1p h LYS 13 Cb 0.53 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1j1p h LYS 13 CO 0.04 1.10 -0.14 0.00 -2.27 0.00 0.00 179.45 178.18 1j1p h ARG 14 N 0.56 0.17 -0.72 1.90 3.08 -0.71 -1.91 114.38 116.75 1j1p h ARG 14 Ca 0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1j1p h ARG 14 Cb 1.02 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1j1p h ARG 14 CO 0.10 0.32 0.00 0.72 -1.07 0.00 0.00 179.97 180.04 1j1p n HIS 15 N -4.29 0.87 -3.02 3.04 8.25 -0.25 -4.93 115.22 114.89 1j1p n HIS 15 Ca -0.01 -0.31 -0.19 0.00 -0.26 0.00 0.00 57.72 56.94 1j1p n HIS 15 Cb 0.26 -0.24 0.04 0.00 1.12 0.00 0.00 29.99 31.17 1j1p n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j1p n GLY 16 N 0.44 -0.34 0.01 -1.41 0.00 -0.72 -4.94 105.19 98.23 1j1p n GLY 16 Ca 0.13 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1j1p n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j1p n LEU 17 N -3.67 0.74 -4.60 0.99 4.77 -0.49 -4.52 117.00 110.22 1j1p n LEU 17 Ca -0.07 -0.24 -0.43 0.00 -0.03 0.00 0.00 56.01 55.23 1j1p n LEU 17 Cb 0.59 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1j1p n LEU 17 CO 0.44 0.17 1.38 -0.62 -1.33 0.00 0.00 177.39 177.43 1j1p s ASP 18 N -3.19 6.16 -0.83 -1.43 2.15 -1.26 -2.67 116.67 115.60 1j1p s ASP 18 Ca 0.08 1.16 -0.01 0.00 0.43 0.00 0.00 52.55 54.21 1j1p s ASP 18 Cb 0.16 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1j1p s ASP 18 CO 0.80 -1.52 0.08 -3.20 -0.17 0.00 0.00 175.17 171.16 1j1p n ASN 19 N 9.37 -3.46 -4.67 -0.34 5.15 -0.54 -4.86 115.26 115.91 1j1p n ASN 19 Ca 0.20 -0.04 -0.43 0.00 -0.60 0.00 0.00 54.58 53.71 1j1p n ASN 19 Cb 0.47 -2.63 -0.02 0.00 -0.53 0.00 0.00 39.78 37.07 1j1p n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1j1p s TYR 20 N -2.59 3.43 -1.58 1.20 5.04 -1.09 -3.88 117.35 117.88 1j1p s TYR 20 Ca 0.04 1.53 -0.09 0.00 -2.44 0.00 0.00 57.07 56.11 1j1p s TYR 20 Cb -0.02 -3.22 0.08 0.00 0.35 0.00 0.00 41.96 39.15 1j1p s TYR 20 CO 0.05 -0.34 0.51 0.54 -1.34 0.00 0.00 175.55 174.96 1j1p n ARG 21 N 5.62 -2.72 -0.94 4.97 5.12 -1.26 -1.63 116.66 125.81 1j1p n ARG 21 Ca 0.10 0.33 0.00 0.00 -1.93 0.00 0.00 57.85 56.35 1j1p n ARG 21 Cb 0.47 -4.62 0.00 0.00 -1.16 0.00 0.00 32.46 27.16 1j1p n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1j1p n GLY 22 N -1.79 0.72 3.33 -0.13 0.00 -1.25 -5.03 105.19 101.04 1j1p n GLY 22 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1j1p n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j1p s TYR 23 N -2.83 3.09 0.75 1.61 2.02 -0.65 -4.99 117.35 116.35 1j1p s TYR 23 Ca 0.00 -0.99 -0.13 0.00 -0.37 0.00 0.00 57.07 55.58 1j1p s TYR 23 Cb 0.00 -2.19 0.05 0.00 -0.40 0.00 0.00 41.96 39.42 1j1p s TYR 23 CO 0.00 -0.57 1.15 -1.54 -1.57 0.00 0.00 175.55 173.02 1j1p s SER 24 N 1.48 4.27 0.29 2.29 1.04 -1.26 -1.46 113.70 120.35 1j1p s SER 24 Ca 0.03 2.13 0.03 0.00 0.48 0.00 0.00 55.95 58.62 1j1p s SER 24 Cb -0.16 -2.56 0.67 0.00 0.10 0.00 0.00 66.02 64.07 1j1p s SER 24 CO 0.00 -2.20 1.75 0.25 0.98 0.00 0.00 173.24 174.02 1j1p h LEU 25 N -0.65 0.57 -1.89 2.42 5.85 -1.90 -1.42 115.31 118.30 1j1p h LEU 25 Ca -0.46 0.11 0.17 0.00 0.84 0.00 0.00 57.88 58.54 1j1p h LEU 25 Cb 1.26 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 1j1p h LEU 25 CO 0.50 0.17 0.46 1.23 -0.34 0.00 0.00 178.44 180.46 1j1p h GLY 26 N 0.61 0.19 0.99 3.75 0.00 -1.90 -1.18 103.07 105.52 1j1p h GLY 26 Ca 0.54 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.82 1j1p h GLY 26 CO -0.42 0.01 0.33 3.43 0.00 0.00 0.00 176.54 179.89 1j1p h ASN 27 N 0.11 0.66 -0.21 0.19 2.35 -1.48 -0.78 115.58 116.42 1j1p h ASN 27 Ca 0.31 -0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.84 1j1p h ASN 27 Cb 1.08 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 1j1p h ASN 27 CO -0.03 0.52 -0.47 -0.50 -1.65 0.00 0.00 177.43 175.30 1j1p h TRP 28 N 0.73 0.95 -0.30 1.19 4.06 -1.34 -0.40 115.95 120.84 1j1p h TRP 28 Ca 0.20 -0.31 -0.13 0.00 2.06 0.00 0.00 58.89 60.71 1j1p h TRP 28 Cb -0.01 -0.19 -0.00 0.00 -1.00 0.00 0.00 29.16 27.96 1j1p h TRP 28 CO -0.02 1.09 -0.31 0.28 -3.56 0.00 0.00 178.44 175.92 1j1p h VAL 29 N 0.61 1.30 -0.65 1.49 2.07 -1.40 -1.83 116.25 117.83 1j1p h VAL 29 Ca 0.03 -1.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.03 1j1p h VAL 29 Cb 1.04 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 1j1p h VAL 29 CO 0.10 0.48 0.27 0.00 0.02 0.00 0.00 177.57 178.44 1j1p h ALA 31 N 1.11 0.45 -0.89 0.00 0.00 -0.95 -2.36 119.26 116.62 1j1p h ALA 31 Ca 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1j1p h ALA 31 Cb 0.20 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1j1p h ALA 31 CO -0.02 -0.08 0.49 0.00 0.00 0.00 0.00 179.25 179.64 1j1p h ALA 32 N 1.12 1.19 -0.10 0.00 0.00 -1.11 0.94 119.26 121.30 1j1p h ALA 32 Ca 0.13 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1j1p h ALA 32 Cb -0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1j1p h ALA 32 CO -0.03 0.65 0.00 -0.22 0.00 0.00 0.00 179.25 179.66 1j1p h LYS 33 N 1.24 0.04 0.00 0.00 1.63 -0.89 -0.94 116.57 117.65 1j1p h LYS 33 Ca 0.31 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 1j1p h LYS 33 Cb 0.02 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1j1p h LYS 33 CO -0.05 0.03 -0.54 0.74 -3.45 0.00 0.00 179.45 176.18 1j1p h PHE 34 N 0.04 0.00 0.16 1.91 0.04 -1.27 -0.51 116.94 117.31 1j1p h PHE 34 Ca 0.05 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.50 1j1p h PHE 34 Cb 0.05 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.21 1j1p h PHE 34 CO -0.13 0.00 -1.57 0.93 -0.60 0.00 0.00 178.31 176.95 1j1p h GLU 35 N 0.00 0.33 0.00 1.51 4.39 -0.74 -3.43 114.58 116.65 1j1p h GLU 35 Ca 0.00 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 59.13 1j1p h GLU 35 Cb 0.85 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1j1p h GLU 35 CO 0.00 1.27 0.00 -1.13 -1.16 0.00 0.00 179.01 177.99 1j1p n SER 36 N -3.76 0.24 -3.69 1.42 3.41 -0.43 -4.80 113.62 106.01 1j1p n SER 36 Ca -0.24 -1.04 -0.25 0.00 -0.26 0.00 0.00 58.87 57.07 1j1p n SER 36 Cb 0.99 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 65.01 1j1p n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1j1p n ASN 37 N -0.02 -5.43 -0.97 4.04 5.15 -0.20 -1.95 115.26 115.88 1j1p n ASN 37 Ca 0.00 -0.63 -0.13 0.00 -0.60 0.00 0.00 54.58 53.22 1j1p n ASN 37 Cb 0.25 -4.66 -0.05 0.00 -0.53 0.00 0.00 39.78 34.79 1j1p n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1j1p n PHE 38 N -4.83 0.00 -3.38 1.20 3.72 -1.11 -4.84 117.46 108.21 1j1p n PHE 38 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 1j1p n PHE 38 Cb 0.56 -2.65 -0.09 0.00 -0.94 0.00 0.00 39.48 36.36 1j1p n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1j1p s ASN 39 N -2.58 6.17 0.52 4.37 2.47 -0.82 -0.90 114.94 124.16 1j1p s ASN 39 Ca 0.00 -0.54 0.35 0.00 0.42 0.00 0.00 52.86 53.09 1j1p s ASN 39 Cb 0.00 -2.20 1.66 0.00 -1.45 0.00 0.00 41.25 39.26 1j1p s ASN 39 CO 0.00 -0.46 2.04 0.71 -3.72 0.00 0.00 177.10 175.67 1j1p h THR 40 N 5.63 0.00 -0.23 -5.21 1.35 -1.29 -2.61 112.91 110.56 1j1p h THR 40 Ca -0.28 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1j1p h THR 40 Cb 1.13 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1j1p h THR 40 CO 0.74 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.01 1j1p n GLN 41 N -2.86 2.39 -1.75 4.72 1.13 -1.26 -3.92 117.38 115.83 1j1p n GLN 41 Ca -0.01 -2.07 -0.42 0.00 -1.94 0.00 0.00 57.00 52.57 1j1p n GLN 41 Cb 0.18 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.02 1j1p n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j1p n ALA 42 N 1.36 2.64 -2.94 -1.58 0.00 -0.98 -4.78 120.51 114.23 1j1p n ALA 42 Ca 0.17 0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.88 1j1p n ALA 42 Cb 0.59 -2.48 -0.12 0.00 0.00 0.00 0.00 19.45 17.44 1j1p n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1j1p s THR 43 N 0.12 0.11 -0.14 0.00 -4.23 -1.26 -0.98 115.64 109.25 1j1p s THR 43 Ca 0.65 -0.65 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 1j1p s THR 43 Cb -0.49 -0.21 0.07 0.00 1.34 0.00 0.00 72.50 73.20 1j1p s THR 43 CO 0.47 -0.34 0.16 0.21 -0.54 0.00 0.00 174.62 174.58 1j1p s ASN 44 N -1.04 1.33 0.07 3.99 2.47 -0.67 -4.96 114.94 116.13 1j1p s ASN 44 Ca -0.11 -0.07 -0.30 0.00 0.42 0.00 0.00 52.86 52.79 1j1p s ASN 44 Cb -0.07 0.19 -0.05 0.00 -1.45 0.00 0.00 41.25 39.86 1j1p s ASN 44 CO -0.01 -0.30 1.11 -0.60 -3.72 0.00 0.00 177.10 173.59 1j1p s ARG 45 N 2.27 4.51 0.40 0.43 3.52 -1.26 -0.82 118.95 128.00 1j1p s ARG 45 Ca 0.04 1.66 0.08 0.00 -0.13 0.00 0.00 55.73 57.38 1j1p s ARG 45 Cb -0.14 -3.36 -0.00 0.00 -1.56 0.00 0.00 34.95 29.88 1j1p s ARG 45 CO -0.09 -0.11 0.48 -0.80 -0.81 0.00 0.00 175.30 173.97 1j1p s ASN 46 N 0.75 5.47 0.09 -2.12 0.01 0.16 -4.97 114.94 114.33 1j1p s ASN 46 Ca 0.55 -0.50 -0.23 0.00 -0.71 0.00 0.00 52.86 51.96 1j1p s ASN 46 Cb -0.27 -0.71 -0.15 0.00 0.41 0.00 0.00 41.25 40.53 1j1p s ASN 46 CO 0.30 -0.66 1.72 0.74 -1.51 0.00 0.00 177.10 177.69 1j1p h THR 47 N 0.83 1.02 0.00 1.60 2.02 -1.96 -2.74 112.91 113.68 1j1p h THR 47 Ca -0.41 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1j1p h THR 47 Cb 1.27 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1j1p h THR 47 CO 0.51 0.02 0.00 -0.90 0.37 0.00 0.00 175.52 175.51 1j1p n ASP 48 N -5.07 0.00 0.00 4.18 5.75 -1.26 -4.73 116.55 115.42 1j1p n ASP 48 Ca -0.07 -0.38 0.00 0.00 -0.01 0.00 0.00 54.79 54.33 1j1p n ASP 48 Cb 0.04 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1j1p n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j1p n GLY 49 N -0.36 1.23 3.91 6.12 0.00 -1.03 -4.71 105.19 110.36 1j1p n GLY 49 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1j1p n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j1p s SER 50 N -3.02 5.23 0.01 1.61 1.04 -1.26 -4.56 113.70 112.75 1j1p s SER 50 Ca 0.00 0.77 0.02 0.00 0.48 0.00 0.00 55.95 57.22 1j1p s SER 50 Cb 0.00 -1.56 -0.01 0.00 0.10 0.00 0.00 66.02 64.55 1j1p s SER 50 CO 0.00 -1.37 -0.06 -0.89 0.98 0.00 0.00 173.24 171.90 1j1p s THR 51 N -3.22 0.46 -0.17 2.02 2.01 -1.26 0.38 115.64 115.85 1j1p s THR 51 Ca 0.57 -0.44 -0.13 0.00 0.31 0.00 0.00 61.69 62.00 1j1p s THR 51 Cb -0.11 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 1j1p s THR 51 CO 0.47 -0.00 0.27 -1.81 -0.69 0.00 0.00 174.62 172.87 1j1p s ASP 52 N -0.48 6.40 -0.00 3.53 1.01 0.00 -1.11 116.67 126.01 1j1p s ASP 52 Ca -0.01 0.46 0.07 0.00 0.71 0.00 0.00 52.55 53.78 1j1p s ASP 52 Cb -0.04 -2.17 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 1j1p s ASP 52 CO -0.00 0.10 -0.20 -0.31 0.21 0.00 0.00 175.17 174.96 1j1p s TYR 53 N 0.51 2.50 0.01 4.23 1.51 0.74 -1.67 117.35 125.19 1j1p s TYR 53 Ca 0.15 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 1j1p s TYR 53 Cb -0.13 -1.51 0.00 0.00 -0.11 0.00 0.00 41.96 40.21 1j1p s TYR 53 CO 0.03 0.13 0.00 0.41 -1.11 0.00 0.00 175.55 175.01 1j1p n GLY 54 N 2.08 -2.01 0.32 0.71 0.00 -0.16 -0.62 105.19 105.51 1j1p n GLY 54 Ca -0.16 -1.40 0.16 0.00 0.00 0.00 0.00 46.02 44.62 1j1p n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1j1p h ILE 55 N -0.06 0.52 -0.15 -0.61 2.10 -1.68 -0.98 117.51 116.66 1j1p h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1j1p h ILE 55 Cb 0.06 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 36.70 1j1p h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1j1p n LEU 56 N -3.86 2.91 -3.98 2.19 4.77 -1.26 -4.13 117.00 113.63 1j1p n LEU 56 Ca -0.01 -2.69 -0.40 0.00 -0.03 0.00 0.00 56.01 52.88 1j1p n LEU 56 Cb 0.21 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1j1p n LEU 56 CO 0.28 0.67 -0.18 0.00 -1.33 0.00 0.00 177.39 176.82 1j1p n GLN 57 N -0.63 -0.63 -2.74 3.23 1.13 -0.37 -4.89 117.38 112.47 1j1p n GLN 57 Ca 0.14 0.28 -0.42 0.00 -1.94 0.00 0.00 57.00 55.07 1j1p n GLN 57 Cb 0.62 -2.51 -0.03 0.00 0.11 0.00 0.00 30.24 28.43 1j1p n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1j1p s ILE 58 N -3.37 4.88 0.23 5.09 1.01 0.21 -4.40 121.20 124.86 1j1p s ILE 58 Ca 0.35 2.00 -0.30 0.00 0.00 0.00 0.00 60.65 62.71 1j1p s ILE 58 Cb -0.19 -4.29 -0.09 0.00 0.01 0.00 0.00 42.46 37.90 1j1p s ILE 58 CO 0.95 0.16 1.10 0.21 0.00 0.00 0.00 174.94 177.36 1j1p s ASN 59 N 0.99 7.28 0.00 3.58 2.47 -1.26 -0.18 114.94 127.81 1j1p s ASN 59 Ca 0.50 2.17 0.30 0.00 0.42 0.00 0.00 52.86 56.26 1j1p s ASN 59 Cb -0.21 -2.61 1.57 0.00 -1.45 0.00 0.00 41.25 38.55 1j1p s ASN 59 CO 0.27 -0.18 2.07 -1.54 -3.72 0.00 0.00 177.10 174.00 1j1p n SER 60 N 1.80 0.05 -0.00 -4.21 3.41 -0.27 -1.80 113.62 112.59 1j1p n SER 60 Ca 0.01 -0.35 -0.13 0.00 -0.26 0.00 0.00 58.87 58.14 1j1p n SER 60 Cb 0.45 -0.21 -0.14 0.00 -0.26 0.00 0.00 64.21 64.05 1j1p n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1j1p h ARG 61 N 0.06 0.10 0.00 4.33 2.43 -1.85 -3.42 114.38 116.03 1j1p h ARG 61 Ca 0.00 -0.17 -0.16 0.00 -0.81 0.00 0.00 59.98 58.84 1j1p h ARG 61 Cb 0.24 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1j1p h ARG 61 CO 0.00 0.78 -1.61 0.91 -1.51 0.00 0.00 179.97 178.54 1j1p n TRP 62 N -3.22 0.00 -0.13 2.20 7.02 -1.24 -1.40 117.44 120.67 1j1p n TRP 62 Ca -0.20 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.04 1j1p n TRP 62 Cb 1.05 -0.42 -0.11 0.00 -2.42 0.00 0.00 31.31 29.41 1j1p n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1j1p n TRP 63 N -2.74 0.11 -4.38 -5.99 7.02 -0.75 0.08 117.44 110.80 1j1p n TRP 63 Ca -0.18 0.03 -0.20 0.00 -1.02 0.00 0.00 57.50 56.13 1j1p n TRP 63 Cb 0.72 -1.01 -0.10 0.00 -2.42 0.00 0.00 31.31 28.49 1j1p n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1j1p s ASN 65 N -3.38 5.17 0.00 0.00 2.47 -0.66 -4.38 114.94 114.16 1j1p s ASN 65 Ca 0.25 -0.19 0.06 0.00 0.42 0.00 0.00 52.86 53.41 1j1p s ASN 65 Cb -0.01 -1.93 0.13 0.00 -1.45 0.00 0.00 41.25 37.99 1j1p s ASN 65 CO 0.09 -0.02 0.98 -0.90 -3.72 0.00 0.00 177.10 173.53 1j1p n ASP 66 N 4.82 2.16 -0.96 -4.21 5.75 -1.26 -1.17 116.55 121.67 1j1p n ASP 66 Ca -0.16 -1.73 -0.13 0.00 -0.01 0.00 0.00 54.79 52.76 1j1p n ASP 66 Cb 0.51 -0.08 -0.05 0.00 -1.03 0.00 0.00 41.12 40.47 1j1p n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j1p n GLY 67 N 0.17 1.24 0.10 6.12 0.00 -1.26 -4.78 105.19 106.77 1j1p n GLY 67 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1j1p n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j1p n ARG 68 N -1.47 0.54 -4.34 1.61 1.74 -1.26 -5.06 116.66 108.42 1j1p n ARG 68 Ca -0.13 -0.85 -0.34 0.00 -0.77 0.00 0.00 57.85 55.77 1j1p n ARG 68 Cb 0.56 -0.63 -0.14 0.00 -1.02 0.00 0.00 32.46 31.22 1j1p n ARG 68 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1j1p s THR 69 N -0.30 3.01 0.00 0.55 2.01 -1.26 -4.87 115.64 114.78 1j1p s THR 69 Ca 0.02 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.37 1j1p s THR 69 Cb 0.01 -2.31 0.00 0.00 0.01 0.00 0.00 72.50 70.22 1j1p s THR 69 CO 0.00 0.49 0.00 -2.65 -0.69 0.00 0.00 174.62 171.77 1j1p n PRO 70 N 4.19 0.00 -0.27 4.92 -0.02 -1.26 -3.07 135.00 139.49 1j1p n PRO 70 Ca -0.19 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.29 1j1p n PRO 70 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.98 1j1p n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j1p n GLY 71 N 0.00 1.50 3.68 -1.23 0.00 -1.26 -4.90 105.19 102.97 1j1p n GLY 71 Ca 0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1j1p n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j1p n SER 72 N 1.93 2.48 0.00 1.61 2.88 -1.18 -4.82 113.62 116.52 1j1p n SER 72 Ca 0.03 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1j1p n SER 72 Cb 0.26 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.26 1j1p n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1j1p n ARG 73 N 0.46 1.94 -4.02 -1.46 1.74 -0.50 -5.00 116.66 109.82 1j1p n ARG 73 Ca 0.06 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.80 1j1p n ARG 73 Cb 0.36 -0.85 -0.02 0.00 -1.02 0.00 0.00 32.46 30.94 1j1p n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1j1p n ASN 74 N -1.30 -1.94 0.22 0.55 4.05 -1.16 -4.83 115.26 110.84 1j1p n ASN 74 Ca 0.00 -1.15 0.14 0.00 0.45 0.00 0.00 54.58 54.02 1j1p n ASN 74 Cb 0.00 -2.40 0.77 0.00 1.23 0.00 0.00 39.78 39.37 1j1p n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1j1p h LEU 75 N -2.05 0.00 -0.92 1.20 3.38 -0.25 -0.90 115.31 115.78 1j1p h LEU 75 Ca -0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1j1p h LEU 75 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1j1p h LEU 75 CO 0.59 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 179.06 1j1p n ASN 77 N 0.06 -3.75 -3.65 0.00 3.02 -0.34 -4.98 115.26 105.62 1j1p n ASN 77 Ca 0.17 -1.08 -0.15 0.00 -0.03 0.00 0.00 54.58 53.50 1j1p n ASN 77 Cb 0.37 -2.92 -0.08 0.00 -0.61 0.00 0.00 39.78 36.54 1j1p n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1j1p s ILE 78 N -3.62 0.01 0.23 2.41 1.10 -1.26 -5.08 121.20 114.99 1j1p s ILE 78 Ca 0.36 -0.09 -0.30 0.00 -0.51 0.00 0.00 60.65 60.11 1j1p s ILE 78 Cb -0.15 -0.82 -0.09 0.00 0.15 0.00 0.00 42.46 41.56 1j1p s ILE 78 CO 0.89 -0.05 1.18 -2.84 -2.11 0.00 0.00 174.94 172.02 1j1p s PRO 79 N -0.41 4.52 0.56 3.50 0.02 -1.26 -1.65 135.00 140.27 1j1p s PRO 79 Ca -0.06 1.89 0.26 0.00 0.02 0.00 0.00 61.00 63.12 1j1p s PRO 79 Cb -0.03 -3.21 1.52 0.00 0.02 0.00 0.00 34.50 32.80 1j1p s PRO 79 CO 0.04 -0.01 2.05 0.00 -0.33 0.00 0.00 177.00 178.75 1j1p h SER 81 N 0.00 0.40 0.30 0.00 4.64 -1.91 -0.50 113.55 116.49 1j1p h SER 81 Ca 0.14 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1j1p h SER 81 Cb 0.66 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1j1p h SER 81 CO -0.00 0.28 -0.03 0.00 -0.87 0.00 0.00 176.83 176.21 1j1p h ALA 82 N 1.75 1.12 -0.26 5.18 0.00 -1.51 -1.15 119.26 124.40 1j1p h ALA 82 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1j1p h ALA 82 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1j1p h ALA 82 CO -0.04 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1j1p n LEU 83 N -3.30 1.68 -0.86 0.00 4.77 -0.20 -3.81 117.00 115.27 1j1p n LEU 83 Ca -0.02 -0.78 0.03 0.00 -0.03 0.00 0.00 56.01 55.20 1j1p n LEU 83 Cb 0.16 -0.17 0.21 0.00 -2.33 0.00 0.00 43.42 41.29 1j1p n LEU 83 CO 0.25 0.39 0.65 0.18 -1.33 0.00 0.00 177.39 177.53 1j1p n LEU 84 N 0.37 3.65 -4.94 2.23 4.32 -0.43 -3.55 117.00 118.64 1j1p n LEU 84 Ca 0.13 -3.46 -0.24 0.00 -0.02 0.00 0.00 56.01 52.42 1j1p n LEU 84 Cb 0.29 -0.57 -0.02 0.00 -1.62 0.00 0.00 43.42 41.51 1j1p n LEU 84 CO 0.10 1.02 0.10 -0.55 -1.22 0.00 0.00 177.39 176.84 1j1p s SER 85 N -2.48 6.32 0.23 -1.43 0.15 -1.25 -4.65 113.70 110.59 1j1p s SER 85 Ca 0.41 0.37 0.25 0.00 0.70 0.00 0.00 55.95 57.68 1j1p s SER 85 Cb 0.36 -1.99 0.91 0.00 -1.71 0.00 0.00 66.02 63.59 1j1p s SER 85 CO 0.02 -0.20 1.74 -1.20 1.20 0.00 0.00 173.24 174.80 1j1p n SER 86 N -1.47 0.70 -4.61 5.45 7.64 -1.26 -4.49 113.62 115.58 1j1p n SER 86 Ca -0.06 0.62 -0.41 0.00 1.01 0.00 0.00 58.87 60.04 1j1p n SER 86 Cb 0.56 -0.79 -0.06 0.00 -1.01 0.00 0.00 64.21 62.90 1j1p n SER 86 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1j1p s ASP 87 N -4.31 6.54 0.00 6.43 -1.08 -1.26 -4.96 116.67 118.03 1j1p s ASP 87 Ca 0.07 0.57 0.24 0.00 -0.52 0.00 0.00 52.55 52.91 1j1p s ASP 87 Cb 0.11 -2.34 1.31 0.00 -1.46 0.00 0.00 42.92 40.54 1j1p s ASP 87 CO 0.48 -0.44 1.86 2.30 0.52 0.00 0.00 175.17 179.89 1j1p n ILE 88 N 5.31 0.03 -0.15 4.11 -5.35 -1.26 -4.44 119.36 117.61 1j1p n ILE 88 Ca -0.01 -0.08 -0.10 0.00 -0.27 0.00 0.00 62.75 62.30 1j1p n ILE 88 Cb 0.49 -0.18 -0.05 0.00 -1.74 0.00 0.00 39.64 38.15 1j1p n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1j1p h THR 89 N 0.56 0.08 -0.78 7.28 2.02 -1.94 -0.63 112.91 119.51 1j1p h THR 89 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1j1p h THR 89 Cb 0.12 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 1j1p h THR 89 CO 0.00 0.00 0.32 0.00 0.37 0.00 0.00 175.52 176.21 1j1p h ALA 90 N 0.39 1.01 -0.60 6.16 0.00 -1.83 -0.68 119.26 123.71 1j1p h ALA 90 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1j1p h ALA 90 Cb 0.58 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1j1p h ALA 90 CO -0.61 0.63 0.18 0.77 0.00 0.00 0.00 179.25 180.21 1j1p h SER 91 N 1.12 0.88 -0.34 0.00 0.02 -1.70 -1.58 113.55 111.95 1j1p h SER 91 Ca 0.26 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1j1p h SER 91 Cb 0.21 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1j1p h SER 91 CO -0.02 0.86 0.01 0.58 -1.14 0.00 0.00 176.83 177.12 1j1p h VAL 92 N 0.85 1.25 -0.50 2.27 2.07 -0.87 0.75 116.25 122.07 1j1p h VAL 92 Ca 0.19 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.84 1j1p h VAL 92 Cb 0.30 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1j1p h VAL 92 CO -0.00 0.31 0.20 0.78 0.02 0.00 0.00 177.57 178.88 1j1p h ASN 93 N 0.41 0.24 -0.32 0.57 2.35 -0.94 -0.75 115.58 117.14 1j1p h ASN 93 Ca 0.10 0.05 -0.13 0.00 -0.55 0.00 0.00 56.30 55.77 1j1p h ASN 93 Cb 0.43 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 1j1p h ASN 93 CO 0.01 0.17 -0.32 0.00 -1.65 0.00 0.00 177.43 175.64 1j1p h ALA 95 N 0.72 1.80 -0.41 0.00 0.00 -0.40 -0.53 119.26 120.44 1j1p h ALA 95 Ca 0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1j1p h ALA 95 Cb 0.90 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1j1p h ALA 95 CO 0.08 0.11 -0.20 0.87 0.00 0.00 0.00 179.25 180.11 1j1p h LYS 96 N 0.59 0.79 -0.37 0.00 1.57 -0.98 -1.16 116.57 117.01 1j1p h LYS 96 Ca 0.25 -0.31 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 1j1p h LYS 96 Cb 0.25 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1j1p h LYS 96 CO -0.07 0.93 -0.41 -0.22 -0.57 0.00 0.00 179.45 179.11 1j1p h LYS 97 N 0.70 0.92 0.05 3.15 3.64 -1.07 -2.54 116.57 121.42 1j1p h LYS 97 Ca 0.10 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1j1p h LYS 97 Cb 0.71 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1j1p h LYS 97 CO 0.05 1.15 -0.04 0.82 -2.27 0.00 0.00 179.45 179.16 1j1p h ILE 98 N 0.75 0.90 0.00 2.00 2.04 -0.92 -2.43 117.51 119.85 1j1p h ILE 98 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1j1p h ILE 98 Cb 1.00 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1j1p h ILE 98 CO 0.10 0.00 0.00 0.55 0.00 0.00 0.00 178.15 178.80 1j1p n VAL 99 N -5.15 0.87 1.81 1.67 3.14 -0.46 -2.16 118.33 118.05 1j1p n VAL 99 Ca -0.07 0.26 0.16 0.00 -2.96 0.00 0.00 64.34 61.72 1j1p n VAL 99 Cb 0.08 -1.17 0.87 0.00 -1.06 0.00 0.00 33.84 32.56 1j1p n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1j1p n SER 100 N -2.13 0.10 -4.90 6.55 7.64 -0.91 -4.06 113.62 115.90 1j1p n SER 100 Ca 0.02 -0.80 -0.28 0.00 1.01 0.00 0.00 58.87 58.82 1j1p n SER 100 Cb 0.21 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1j1p n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1j1p s ASP 101 N -2.16 6.26 0.65 6.43 2.15 -0.92 -4.95 116.67 124.13 1j1p s ASP 101 Ca 0.42 1.01 0.37 0.00 0.43 0.00 0.00 52.55 54.79 1j1p s ASP 101 Cb 0.21 -2.29 2.07 0.00 -0.30 0.00 0.00 42.92 42.61 1j1p s ASP 101 CO 0.40 -0.63 2.21 1.23 -0.17 0.00 0.00 175.17 178.21 1j1p h GLY 102 N 0.14 0.00 2.00 2.66 0.00 -1.88 -0.88 103.07 105.11 1j1p h GLY 102 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1j1p h GLY 102 CO 0.62 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.86 1j1p n ASN 103 N -3.22 0.43 0.00 0.19 3.02 -1.26 -4.96 115.26 109.46 1j1p n ASN 103 Ca -0.02 0.58 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 1j1p n ASN 103 Cb 0.19 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 1j1p n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j1p n GLY 104 N 0.55 2.60 0.00 7.41 0.00 -0.34 -1.73 105.19 113.68 1j1p n GLY 104 Ca 0.04 -0.30 0.14 0.00 0.00 0.00 0.00 46.02 45.89 1j1p n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1j1p n MET 105 N 14.00 0.79 0.00 1.61 2.81 -1.26 -3.30 117.12 131.77 1j1p n MET 105 Ca 0.00 0.01 0.04 0.00 -1.81 0.00 0.00 57.70 55.93 1j1p n MET 105 Cb 0.00 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 31.18 1j1p n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1j1p n ASN 106 N -1.04 0.00 0.24 7.83 3.02 -0.71 -1.10 115.26 123.50 1j1p n ASN 106 Ca 0.19 0.44 0.10 0.00 -0.03 0.00 0.00 54.58 55.28 1j1p n ASN 106 Cb 0.11 -0.46 0.59 0.00 -0.61 0.00 0.00 39.78 39.41 1j1p n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j1p h ALA 107 N 2.29 1.26 -2.09 5.41 0.00 -1.73 -3.38 119.26 121.02 1j1p h ALA 107 Ca 0.00 -0.18 -0.69 0.00 0.00 0.00 0.00 54.91 54.04 1j1p h ALA 107 Cb 0.12 -0.03 -0.19 0.00 0.00 0.00 0.00 17.79 17.69 1j1p h ALA 107 CO 0.00 0.24 0.01 -1.58 0.00 0.00 0.00 179.25 177.92 1j1p s TRP 108 N -4.10 3.07 0.22 0.00 0.51 -0.26 -4.95 118.94 113.43 1j1p s TRP 108 Ca -0.02 -0.66 -0.08 0.00 -2.12 0.00 0.00 56.10 53.22 1j1p s TRP 108 Cb 0.13 -3.56 0.25 0.00 -0.81 0.00 0.00 33.47 29.47 1j1p s TRP 108 CO 0.63 -1.04 1.85 0.28 -0.51 0.00 0.00 176.95 178.15 1j1p h VAL 109 N 5.86 1.06 -0.47 4.03 2.07 -1.85 -0.60 116.25 126.34 1j1p h VAL 109 Ca -0.28 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 66.83 1j1p h VAL 109 Cb 1.10 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1j1p h VAL 109 CO 0.97 0.16 -0.12 0.00 0.02 0.00 0.00 177.57 178.61 1j1p h ALA 110 N 1.35 0.89 -0.38 1.67 0.00 -1.92 -0.96 119.26 119.91 1j1p h ALA 110 Ca 0.32 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1j1p h ALA 110 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1j1p h ALA 110 CO -0.14 0.63 0.15 2.35 0.00 0.00 0.00 179.25 182.25 1j1p h TRP 111 N 0.79 0.57 -0.83 0.00 7.01 -1.73 0.29 115.95 122.05 1j1p h TRP 111 Ca 0.13 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1j1p h TRP 111 Cb 0.64 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.49 1j1p h TRP 111 CO 0.04 0.51 0.49 -0.09 -2.79 0.00 0.00 178.44 176.60 1j1p h ARG 112 N 0.46 1.13 0.04 2.65 2.43 -0.88 0.33 114.38 120.55 1j1p h ARG 112 Ca 0.13 -0.11 -0.25 0.00 -0.81 0.00 0.00 59.98 58.94 1j1p h ARG 112 Cb 0.18 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1j1p h ARG 112 CO -0.01 0.80 -1.22 -0.91 -1.51 0.00 0.00 179.97 177.11 1j1p h ASN 113 N 1.14 0.14 0.00 -3.80 -0.26 -0.90 -3.37 115.58 108.54 1j1p h ASN 113 Ca 0.30 -0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 1j1p h ASN 113 Cb -0.03 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.18 1j1p h ASN 113 CO -0.05 1.14 -0.30 0.54 -1.06 0.00 0.00 177.43 177.69 1j1p n ARG 114 N -3.36 5.06 -0.02 0.81 5.12 0.10 -4.88 116.66 119.48 1j1p n ARG 114 Ca -0.06 -0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.80 1j1p n ARG 114 Cb 0.99 -0.74 -0.02 0.00 -1.16 0.00 0.00 32.46 31.53 1j1p n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1j1p n LYS 116 N -3.11 2.12 -0.15 0.00 4.81 0.11 -0.93 118.16 121.02 1j1p n LYS 116 Ca -0.09 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1j1p n LYS 116 Cb 0.57 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 33.05 1j1p n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j1p n GLY 117 N 3.88 1.03 3.96 3.14 0.00 -1.26 -4.92 105.19 111.02 1j1p n GLY 117 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 1j1p n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j1p s THR 118 N -2.55 2.80 -1.22 2.61 -4.23 -0.10 -4.99 115.64 107.94 1j1p s THR 118 Ca 0.00 -1.15 -0.19 0.00 -1.18 0.00 0.00 61.69 59.17 1j1p s THR 118 Cb 0.00 -2.94 -0.01 0.00 1.34 0.00 0.00 72.50 70.88 1j1p s THR 118 CO 0.00 0.00 1.90 -0.67 -0.54 0.00 0.00 174.62 175.31 1j1p n ASP 119 N -1.75 3.89 0.28 3.99 2.03 -1.26 -4.75 116.55 118.99 1j1p n ASP 119 Ca 0.06 -2.81 0.12 0.00 0.52 0.00 0.00 54.79 52.69 1j1p n ASP 119 Cb 0.60 -1.65 0.80 0.00 -0.72 0.00 0.00 41.12 40.16 1j1p n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1j1p h VAL 120 N 5.34 0.72 -0.23 5.18 -1.51 -1.90 -1.84 116.25 122.00 1j1p h VAL 120 Ca 0.40 -0.04 0.07 0.00 -1.23 0.00 0.00 66.70 65.90 1j1p h VAL 120 Cb 0.83 1.02 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 1j1p h VAL 120 CO 1.53 0.01 0.18 -0.61 -1.23 0.00 0.00 177.57 177.45 1j1p h GLN 121 N 0.00 0.00 -0.24 5.19 5.75 -1.87 -0.99 115.11 122.96 1j1p h GLN 121 Ca -0.00 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 1j1p h GLN 121 Cb 0.02 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 1j1p h GLN 121 CO 0.00 0.00 0.24 0.00 -2.65 0.00 0.00 178.83 176.42 1j1p h ALA 122 N 1.86 1.93 0.00 3.38 0.00 -1.72 -1.18 119.26 123.52 1j1p h ALA 122 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1j1p h ALA 122 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1j1p h ALA 122 CO -0.00 -0.36 0.00 0.91 0.00 0.00 0.00 179.25 179.80 1j1p n TRP 123 N -3.90 0.58 0.23 0.00 7.02 -0.38 -2.93 117.44 118.05 1j1p n TRP 123 Ca 0.03 0.21 0.02 0.00 -1.02 0.00 0.00 57.50 56.75 1j1p n TRP 123 Cb 0.37 -0.85 -0.00 0.00 -2.42 0.00 0.00 31.31 28.41 1j1p n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1j1p n ILE 124 N -2.02 0.00 -2.38 -0.99 -5.35 -0.47 -4.82 119.36 103.34 1j1p n ILE 124 Ca 0.03 -0.44 -0.35 0.00 -0.27 0.00 0.00 62.75 61.72 1j1p n ILE 124 Cb 0.25 1.05 -0.01 0.00 -1.74 0.00 0.00 39.64 39.19 1j1p n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1j1p s ARG 125 N -0.97 3.54 -0.44 6.28 0.52 -1.09 -3.38 118.95 123.41 1j1p s ARG 125 Ca 0.04 1.51 0.00 0.00 -0.52 0.00 0.00 55.73 56.76 1j1p s ARG 125 Cb 0.04 -2.04 0.00 0.00 0.52 0.00 0.00 34.95 33.47 1j1p s ARG 125 CO 0.13 -0.68 0.00 0.41 0.02 0.00 0.00 175.30 175.19 1j1p n GLY 126 N -0.01 0.55 3.27 -3.53 0.00 -1.26 -5.03 105.19 99.18 1j1p n GLY 126 Ca 0.11 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 1j1p n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j1p s ARG 128 N -1.46 3.70 0.00 0.00 1.81 -1.26 -5.14 118.95 116.60 1j1p s ARG 128 Ca 0.07 0.16 0.13 0.00 -1.72 0.00 0.00 55.73 54.37 1j1p s ARG 128 Cb -0.09 -3.81 0.10 0.00 -0.45 0.00 0.00 34.95 30.70 1j1p s ARG 128 CO 0.03 -0.80 0.92 1.28 -0.68 0.00 0.00 175.30 176.05