#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjc s VAL 2 N 0.00 4.16 0.63 3.15 1.01 -1.26 -0.58 120.40 127.51 1rjc s VAL 2 Ca 0.00 -1.37 -0.17 0.00 0.00 0.00 0.00 61.98 60.44 1rjc s VAL 2 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 1rjc s VAL 2 CO 0.00 -0.47 1.15 -0.36 0.00 0.00 0.00 175.10 175.43 1rjc s PHE 3 N 1.42 2.48 0.43 5.22 0.40 -0.31 -4.99 117.98 122.62 1rjc s PHE 3 Ca 0.03 1.55 -0.04 0.00 -0.60 0.00 0.00 56.93 57.87 1rjc s PHE 3 Cb -0.22 -3.32 -0.04 0.00 0.51 0.00 0.00 43.02 39.95 1rjc s PHE 3 CO 0.02 -1.94 0.71 0.20 0.70 0.00 0.00 175.22 174.91 1rjc s GLY 4 N -2.09 1.52 0.09 4.36 0.00 -1.26 -4.85 107.32 105.08 1rjc s GLY 4 Ca 0.72 -0.58 -0.32 0.00 0.00 0.00 0.00 44.72 44.54 1rjc s GLY 4 CO 0.37 -0.44 1.61 -0.09 0.00 0.00 0.00 173.10 174.55 1rjc h ARG 5 N 0.52 -0.75 -0.11 2.90 2.43 -1.96 -0.53 114.38 116.88 1rjc h ARG 5 Ca -0.48 0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.65 1rjc h ARG 5 Cb 1.21 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1rjc h ARG 5 CO 0.62 -0.50 -0.38 0.00 -1.51 0.00 0.00 179.97 178.20 1rjc h GLU 7 N 0.19 0.80 -0.33 0.00 4.81 -1.89 -1.14 114.58 117.02 1rjc h GLU 7 Ca 0.02 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 1rjc h GLU 7 Cb 0.76 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 1rjc h GLU 7 CO 0.06 0.54 -0.44 1.25 -0.73 0.00 0.00 179.01 179.68 1rjc h LEU 8 N 0.83 0.96 -0.64 1.64 5.85 -0.78 -2.40 115.31 120.77 1rjc h LEU 8 Ca 0.22 -0.50 0.05 0.00 0.84 0.00 0.00 57.88 58.49 1rjc h LEU 8 Cb -0.09 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.62 1rjc h LEU 8 CO -0.05 1.27 0.36 0.00 -0.34 0.00 0.00 178.44 179.68 1rjc h ALA 9 N 0.72 0.84 -0.47 1.25 0.00 -0.91 0.16 119.26 120.85 1rjc h ALA 9 Ca 0.04 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1rjc h ALA 9 Cb 1.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1rjc h ALA 9 CO 0.10 0.06 0.12 0.00 0.00 0.00 0.00 179.25 179.53 1rjc h ALA 10 N 1.32 0.62 -0.50 0.00 0.00 -1.16 -1.05 119.26 118.49 1rjc h ALA 10 Ca 0.28 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1rjc h ALA 10 Cb 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1rjc h ALA 10 CO -0.16 0.31 0.08 0.00 0.00 0.00 0.00 179.25 179.49 1rjc h ALA 11 N 0.98 0.66 -0.25 0.00 0.00 -0.92 -1.55 119.26 118.18 1rjc h ALA 11 Ca 0.15 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1rjc h ALA 11 Cb 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1rjc h ALA 11 CO 0.00 0.39 -0.16 0.52 0.00 0.00 0.00 179.25 180.01 1rjc h MET 12 N 0.70 0.44 -0.31 0.00 2.86 -0.58 -0.80 114.93 117.24 1rjc h MET 12 Ca 0.15 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 1rjc h MET 12 Cb 0.39 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1rjc h MET 12 CO 0.01 0.59 -0.05 -0.22 1.06 0.00 0.00 176.91 178.29 1rjc h LYS 13 N 0.40 0.59 -0.05 1.72 3.64 -0.95 -2.03 116.57 119.90 1rjc h LYS 13 Ca 0.07 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 1rjc h LYS 13 Cb 0.52 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1rjc h LYS 13 CO 0.03 0.76 -0.12 0.00 -2.27 0.00 0.00 179.45 177.86 1rjc h ARG 14 N 0.37 0.07 -0.42 1.90 3.08 -0.88 -1.53 114.38 116.97 1rjc h ARG 14 Ca 0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1rjc h ARG 14 Cb 0.53 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1rjc h ARG 14 CO 0.03 0.20 0.00 0.72 -1.07 0.00 0.00 179.97 179.84 1rjc n HIS 15 N -4.36 0.43 -2.48 3.04 8.25 -0.34 -4.93 115.22 114.84 1rjc n HIS 15 Ca -0.02 -0.19 -0.10 0.00 -0.26 0.00 0.00 57.72 57.15 1rjc n HIS 15 Cb 0.21 -0.07 0.01 0.00 1.12 0.00 0.00 29.99 31.27 1rjc n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rjc n GLY 16 N 0.71 0.07 0.04 -1.41 0.00 -0.58 -4.96 105.19 99.05 1rjc n GLY 16 Ca 0.09 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.83 1rjc n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rjc n LEU 17 N -1.82 0.63 -4.62 0.99 4.77 -0.79 -4.61 117.00 111.54 1rjc n LEU 17 Ca -0.07 0.02 -0.43 0.00 -0.03 0.00 0.00 56.01 55.50 1rjc n LEU 17 Cb 0.57 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1rjc n LEU 17 CO 0.19 0.03 1.53 -0.62 -1.33 0.00 0.00 177.39 177.20 1rjc s ASP 18 N -3.95 6.10 -0.49 -1.43 2.15 -1.26 -1.89 116.67 115.89 1rjc s ASP 18 Ca 0.04 1.76 0.00 0.00 0.43 0.00 0.00 52.55 54.79 1rjc s ASP 18 Cb 0.14 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1rjc s ASP 18 CO 0.79 -1.46 0.00 0.59 -0.17 0.00 0.00 175.17 174.91 1rjc n ASN 19 N 9.36 -3.89 -4.67 -0.34 3.02 0.18 -4.84 115.26 114.08 1rjc n ASN 19 Ca 0.22 0.11 -0.42 0.00 -0.03 0.00 0.00 54.58 54.46 1rjc n ASN 19 Cb 0.45 -1.80 -0.03 0.00 -0.61 0.00 0.00 39.78 37.79 1rjc n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1rjc s TYR 20 N -2.06 2.23 -1.58 3.10 5.04 -0.80 -1.44 117.35 121.85 1rjc s TYR 20 Ca 0.00 0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 1rjc s TYR 20 Cb 0.00 -3.91 0.00 0.00 0.35 0.00 0.00 41.96 38.40 1rjc s TYR 20 CO 0.00 -3.71 0.00 0.54 -1.34 0.00 0.00 175.55 171.04 1rjc n ARG 21 N 6.38 -1.84 -0.74 4.97 5.12 -1.26 -1.65 116.66 127.63 1rjc n ARG 21 Ca 0.16 0.89 0.00 0.00 -1.93 0.00 0.00 57.85 56.98 1rjc n ARG 21 Cb 0.42 -5.54 0.00 0.00 -1.16 0.00 0.00 32.46 26.18 1rjc n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rjc n GLY 22 N -0.95 0.85 3.49 -0.13 0.00 -0.52 -5.02 105.19 102.90 1rjc n GLY 22 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1rjc n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rjc s TYR 23 N -3.34 3.14 0.78 1.61 2.02 -0.66 -4.88 117.35 116.03 1rjc s TYR 23 Ca 0.00 -0.33 -0.14 0.00 -0.37 0.00 0.00 57.07 56.22 1rjc s TYR 23 Cb 0.00 -3.05 0.06 0.00 -0.40 0.00 0.00 41.96 38.57 1rjc s TYR 23 CO 0.00 -0.77 1.16 -1.13 -1.57 0.00 0.00 175.55 173.24 1rjc n SER 24 N 5.78 1.02 -0.30 2.29 3.41 -1.26 -0.64 113.62 123.91 1rjc n SER 24 Ca -0.06 0.63 0.14 0.00 -0.26 0.00 0.00 58.87 59.31 1rjc n SER 24 Cb 0.47 -1.49 0.31 0.00 -0.26 0.00 0.00 64.21 63.24 1rjc n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1rjc h LEU 25 N -0.63 0.23 -1.70 1.04 5.85 -1.88 -0.97 115.31 117.25 1rjc h LEU 25 Ca -0.47 0.17 0.16 0.00 0.84 0.00 0.00 57.88 58.58 1rjc h LEU 25 Cb 1.31 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.47 1rjc h LEU 25 CO 0.47 -0.06 0.48 1.23 -0.34 0.00 0.00 178.44 180.22 1rjc h GLY 26 N 0.33 0.50 1.01 3.75 0.00 -1.90 -1.21 103.07 105.54 1rjc h GLY 26 Ca 0.57 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.78 1rjc h GLY 26 CO -0.57 0.04 0.48 3.43 0.00 0.00 0.00 176.54 179.92 1rjc h ASN 27 N 0.29 0.84 -0.16 0.19 2.35 -1.40 -0.10 115.58 117.60 1rjc h ASN 27 Ca 0.35 -0.03 -0.17 0.00 -0.55 0.00 0.00 56.30 55.90 1rjc h ASN 27 Cb 0.95 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.10 1rjc h ASN 27 CO -0.09 0.61 -0.54 -0.50 -1.65 0.00 0.00 177.43 175.27 1rjc h TRP 28 N 0.99 0.93 -0.26 1.19 4.06 -1.34 -0.28 115.95 121.25 1rjc h TRP 28 Ca 0.27 -0.33 -0.07 0.00 2.06 0.00 0.00 58.89 60.82 1rjc h TRP 28 Cb -0.11 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 27.87 1rjc h TRP 28 CO -0.02 1.11 -0.12 0.28 -3.56 0.00 0.00 178.44 176.13 1rjc h VAL 29 N 0.57 1.30 -0.71 1.49 2.07 -1.30 -1.89 116.25 117.78 1rjc h VAL 29 Ca 0.02 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 1rjc h VAL 29 Cb 1.11 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 1rjc h VAL 29 CO 0.11 0.37 0.44 0.00 0.02 0.00 0.00 177.57 178.52 1rjc h ALA 31 N 1.24 0.58 -0.80 0.00 0.00 -0.91 -2.18 119.26 117.19 1rjc h ALA 31 Ca 0.26 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1rjc h ALA 31 Cb -0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1rjc h ALA 31 CO -0.05 -0.01 0.35 0.00 0.00 0.00 0.00 179.25 179.54 1rjc h ALA 32 N 1.19 1.12 -0.07 0.00 0.00 -0.88 -0.28 119.26 120.34 1rjc h ALA 32 Ca 0.18 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1rjc h ALA 32 Cb -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1rjc h ALA 32 CO -0.07 0.65 0.00 -0.22 0.00 0.00 0.00 179.25 179.61 1rjc h LYS 33 N 1.14 0.03 0.00 0.00 1.63 -0.72 -0.72 116.57 117.94 1rjc h LYS 33 Ca 0.27 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1rjc h LYS 33 Cb 0.16 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1rjc h LYS 33 CO -0.03 0.02 -0.31 0.74 -3.45 0.00 0.00 179.45 176.42 1rjc h PHE 34 N 0.03 0.00 0.00 1.91 0.04 -1.25 0.57 116.94 118.25 1rjc h PHE 34 Ca 0.03 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.67 1rjc h PHE 34 Cb 0.03 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 1rjc h PHE 34 CO -0.11 0.00 -0.69 0.93 -0.60 0.00 0.00 178.31 177.84 1rjc h GLU 35 N 0.00 0.01 0.00 1.51 4.39 -0.96 -3.43 114.58 116.09 1rjc h GLU 35 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1rjc h GLU 35 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1rjc h GLU 35 CO 0.00 1.01 0.00 -1.13 -1.16 0.00 0.00 179.01 177.73 1rjc n SER 36 N -4.50 0.65 -2.89 1.42 3.41 -0.32 -4.84 113.62 106.55 1rjc n SER 36 Ca -0.22 -0.88 -0.22 0.00 -0.26 0.00 0.00 58.87 57.29 1rjc n SER 36 Cb 0.60 0.17 0.02 0.00 -0.26 0.00 0.00 64.21 64.74 1rjc n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1rjc n ASN 37 N -0.17 -5.85 -0.35 4.04 5.15 0.19 -1.81 115.26 116.47 1rjc n ASN 37 Ca 0.00 -0.22 -0.05 0.00 -0.60 0.00 0.00 54.58 53.72 1rjc n ASN 37 Cb 0.04 -4.77 -0.02 0.00 -0.53 0.00 0.00 39.78 34.49 1rjc n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1rjc n PHE 38 N -4.33 0.00 -3.13 1.20 3.72 -1.18 -4.85 117.46 108.89 1rjc n PHE 38 Ca -0.14 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.84 1rjc n PHE 38 Cb 0.63 -1.56 -0.07 0.00 -0.94 0.00 0.00 39.48 37.54 1rjc n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1rjc s ASN 39 N -2.33 6.36 0.57 4.37 3.84 -0.75 -1.17 114.94 125.84 1rjc s ASN 39 Ca 0.00 -0.13 0.37 0.00 0.21 0.00 0.00 52.86 53.32 1rjc s ASN 39 Cb 0.00 -2.31 1.79 0.00 -0.55 0.00 0.00 41.25 40.17 1rjc s ASN 39 CO 0.00 -0.67 2.12 0.71 -2.79 0.00 0.00 177.10 176.47 1rjc h THR 40 N 5.77 0.00 -0.22 -5.21 1.35 -1.17 -2.64 112.91 110.78 1rjc h THR 40 Ca -0.26 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1rjc h THR 40 Cb 1.10 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1rjc h THR 40 CO 0.86 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.13 1rjc n GLN 41 N -2.99 2.32 -1.71 4.72 6.02 -1.26 -4.02 117.38 120.46 1rjc n GLN 41 Ca -0.01 -1.96 -0.43 0.00 -0.01 0.00 0.00 57.00 54.59 1rjc n GLN 41 Cb 0.19 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 1rjc n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rjc n ALA 42 N 1.24 2.52 -3.25 -1.58 0.00 -1.00 -4.76 120.51 113.68 1rjc n ALA 42 Ca 0.17 0.38 -0.19 0.00 0.00 0.00 0.00 53.44 53.81 1rjc n ALA 42 Cb 0.56 -2.53 -0.16 0.00 0.00 0.00 0.00 19.45 17.33 1rjc n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rjc s THR 43 N 1.58 0.54 -0.02 0.00 -4.23 -1.26 -0.56 115.64 111.70 1rjc s THR 43 Ca 0.77 -0.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 1rjc s THR 43 Cb -0.52 -0.52 0.03 0.00 1.34 0.00 0.00 72.50 72.83 1rjc s THR 43 CO 0.34 0.20 0.02 0.20 -0.54 0.00 0.00 174.62 174.84 1rjc s ASN 44 N 0.46 0.14 0.23 3.99 0.01 -0.77 -4.97 114.94 114.03 1rjc s ASN 44 Ca -0.06 0.02 -0.26 0.00 -0.71 0.00 0.00 52.86 51.85 1rjc s ASN 44 Cb -0.10 -0.10 -0.09 0.00 0.41 0.00 0.00 41.25 41.38 1rjc s ASN 44 CO 0.00 -0.11 0.86 -0.13 -1.51 0.00 0.00 177.10 176.21 1rjc s ARG 45 N 0.94 4.61 0.25 -0.60 0.52 -1.26 -0.33 118.95 123.09 1rjc s ARG 45 Ca -0.08 1.25 0.06 0.00 -0.52 0.00 0.00 55.73 56.44 1rjc s ARG 45 Cb -0.12 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.22 1rjc s ARG 45 CO -0.02 0.47 0.31 -0.80 0.02 0.00 0.00 175.30 175.27 1rjc s ASN 46 N -1.34 6.00 0.30 0.23 0.02 0.18 -4.94 114.94 115.39 1rjc s ASN 46 Ca 0.42 -0.07 0.24 0.00 -1.02 0.00 0.00 52.86 52.42 1rjc s ASN 46 Cb -0.22 -1.63 1.09 0.00 0.02 0.00 0.00 41.25 40.50 1rjc s ASN 46 CO 0.27 -0.10 1.71 0.35 0.02 0.00 0.00 177.10 179.35 1rjc n THR 47 N -1.35 0.88 0.59 1.60 -2.24 -1.26 -2.42 114.28 110.08 1rjc n THR 47 Ca -0.08 0.42 0.11 0.00 -2.27 0.00 0.00 64.05 62.23 1rjc n THR 47 Cb 0.57 -1.39 0.27 0.00 -2.10 0.00 0.00 70.33 67.69 1rjc n THR 47 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1rjc n ASP 48 N -2.29 2.76 0.00 3.42 5.75 -1.26 -4.91 116.55 120.01 1rjc n ASP 48 Ca 0.01 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1rjc n ASP 48 Cb 0.16 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 1rjc n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rjc n GLY 49 N 1.35 0.75 3.94 6.12 0.00 -1.01 -5.01 105.19 111.33 1rjc n GLY 49 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1rjc n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rjc s SER 50 N -2.68 4.58 0.03 1.61 1.04 -1.26 -4.64 113.70 112.37 1rjc s SER 50 Ca 0.00 0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.76 1rjc s SER 50 Cb 0.00 -0.87 -0.02 0.00 0.10 0.00 0.00 66.02 65.23 1rjc s SER 50 CO 0.00 -1.75 -0.05 -0.89 0.98 0.00 0.00 173.24 171.54 1rjc s THR 51 N -3.29 0.28 -0.17 2.02 2.01 -1.26 -0.65 115.64 114.57 1rjc s THR 51 Ca 0.62 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 61.59 1rjc s THR 51 Cb -0.09 -0.39 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 1rjc s THR 51 CO 0.45 -0.43 0.18 -1.81 -0.69 0.00 0.00 174.62 172.32 1rjc s ASP 52 N -1.43 6.31 -0.06 3.53 1.11 0.55 -1.32 116.67 125.35 1rjc s ASP 52 Ca -0.13 0.35 0.05 0.00 0.18 0.00 0.00 52.55 53.00 1rjc s ASP 52 Cb -0.10 -2.11 -0.01 0.00 1.07 0.00 0.00 42.92 41.78 1rjc s ASP 52 CO -0.00 0.20 -0.23 -0.31 1.18 0.00 0.00 175.17 176.00 1rjc s TYR 53 N 0.15 2.30 0.00 4.23 2.02 0.66 -1.85 117.35 124.86 1rjc s TYR 53 Ca 0.11 -0.74 0.00 0.00 -0.37 0.00 0.00 57.07 56.07 1rjc s TYR 53 Cb -0.12 -1.52 0.00 0.00 -0.40 0.00 0.00 41.96 39.92 1rjc s TYR 53 CO 0.01 -0.25 0.00 0.41 -1.57 0.00 0.00 175.55 174.14 1rjc n GLY 54 N 3.13 -1.80 0.42 0.71 0.00 0.28 -1.64 105.19 106.29 1rjc n GLY 54 Ca -0.18 -1.33 0.23 0.00 0.00 0.00 0.00 46.02 44.74 1rjc n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1rjc h ILE 55 N 0.00 0.57 -0.20 -0.61 6.09 -1.70 -0.61 117.51 121.05 1rjc h ILE 55 Ca 0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1rjc h ILE 55 Cb 0.00 0.20 0.00 0.00 0.47 0.00 0.00 36.82 37.49 1rjc h ILE 55 CO 0.00 0.06 0.00 0.18 -3.07 0.00 0.00 178.15 175.32 1rjc n LEU 56 N -4.52 3.28 -4.12 2.19 4.77 -1.26 -4.03 117.00 113.31 1rjc n LEU 56 Ca 0.23 -2.80 -0.34 0.00 -0.03 0.00 0.00 56.01 53.07 1rjc n LEU 56 Cb 0.86 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 1rjc n LEU 56 CO 0.30 0.68 -0.31 0.00 -1.33 0.00 0.00 177.39 176.73 1rjc n GLN 57 N -0.54 -1.35 -2.50 3.23 1.13 -0.24 -4.89 117.38 112.23 1rjc n GLN 57 Ca 0.17 0.19 -0.42 0.00 -1.94 0.00 0.00 57.00 55.01 1rjc n GLN 57 Cb 0.72 -3.59 -0.03 0.00 0.11 0.00 0.00 30.24 27.45 1rjc n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1rjc s ILE 58 N -3.99 4.19 0.28 5.09 1.01 -0.65 -4.29 121.20 122.83 1rjc s ILE 58 Ca 0.17 1.62 -0.15 0.00 0.00 0.00 0.00 60.65 62.29 1rjc s ILE 58 Cb -0.08 -4.04 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 1rjc s ILE 58 CO 0.95 0.15 0.69 0.54 0.00 0.00 0.00 174.94 177.28 1rjc s ASN 59 N 0.84 6.79 0.00 3.58 2.20 -1.26 -0.24 114.94 126.85 1rjc s ASN 59 Ca 0.56 1.22 0.30 0.00 -0.94 0.00 0.00 52.86 54.00 1rjc s ASN 59 Cb -0.28 -2.35 1.40 0.00 -2.00 0.00 0.00 41.25 38.02 1rjc s ASN 59 CO 0.30 -0.13 1.96 -1.54 -2.94 0.00 0.00 177.10 174.75 1rjc n SER 60 N -0.09 0.28 -0.04 3.54 3.41 -0.43 -2.07 113.62 118.22 1rjc n SER 60 Ca 0.02 -0.49 -0.10 0.00 -0.26 0.00 0.00 58.87 58.03 1rjc n SER 60 Cb 0.53 -0.14 0.04 0.00 -0.26 0.00 0.00 64.21 64.38 1rjc n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1rjc h ARG 61 N 0.34 0.69 0.00 4.33 9.65 -1.83 -3.40 114.38 124.16 1rjc h ARG 61 Ca 0.00 -0.40 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 1rjc h ARG 61 Cb 0.30 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1rjc h ARG 61 CO 0.00 1.01 -0.73 0.91 2.80 0.00 0.00 179.97 183.97 1rjc n TRP 62 N -4.00 0.00 -0.08 2.20 7.02 -1.24 -1.17 117.44 120.16 1rjc n TRP 62 Ca -0.03 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.32 1rjc n TRP 62 Cb 0.57 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.32 1rjc n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1rjc n TRP 63 N -1.75 0.34 -4.22 -5.99 7.02 -0.88 -0.97 117.44 111.00 1rjc n TRP 63 Ca 0.00 0.10 -0.13 0.00 -1.02 0.00 0.00 57.50 56.45 1rjc n TRP 63 Cb 0.36 -1.06 -0.10 0.00 -2.42 0.00 0.00 31.31 28.10 1rjc n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1rjc s ASN 65 N -3.15 5.51 0.00 0.00 3.04 -0.41 -4.52 114.94 115.41 1rjc s ASN 65 Ca 0.24 -0.17 0.06 0.00 0.04 0.00 0.00 52.86 53.03 1rjc s ASN 65 Cb 0.07 -2.00 0.11 0.00 -1.54 0.00 0.00 41.25 37.88 1rjc s ASN 65 CO 0.04 -0.06 0.93 -0.90 -3.04 0.00 0.00 177.10 174.07 1rjc n ASP 66 N 4.98 2.04 0.00 -4.21 5.68 -1.26 -0.79 116.55 122.99 1rjc n ASP 66 Ca -0.15 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.49 1rjc n ASP 66 Cb 0.51 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1rjc n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rjc n GLY 67 N 0.19 0.23 0.24 6.12 0.00 -1.26 -4.77 105.19 105.94 1rjc n GLY 67 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1rjc n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1rjc n ARG 68 N -1.23 0.76 -3.84 1.61 1.85 -1.26 -4.90 116.66 109.66 1rjc n ARG 68 Ca 0.00 -1.67 -0.28 0.00 -1.00 0.00 0.00 57.85 54.90 1rjc n ARG 68 Cb 0.15 -0.96 -0.12 0.00 -1.05 0.00 0.00 32.46 30.48 1rjc n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1rjc s THR 69 N -1.29 2.54 0.25 8.89 2.01 -1.26 -4.89 115.64 121.89 1rjc s THR 69 Ca 0.14 -4.01 -0.30 0.00 0.31 0.00 0.00 61.69 57.82 1rjc s THR 69 Cb 0.12 -2.68 -0.14 0.00 0.01 0.00 0.00 72.50 69.80 1rjc s THR 69 CO 0.01 -1.02 1.10 -2.65 -0.69 0.00 0.00 174.62 171.36 1rjc n PRO 70 N 2.15 1.37 -1.12 4.92 -0.02 -1.26 -2.49 135.00 138.55 1rjc n PRO 70 Ca 0.20 0.48 -0.04 0.00 -2.02 0.00 0.00 63.50 62.12 1rjc n PRO 70 Cb 0.36 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 1rjc n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rjc n GLY 71 N 1.55 0.62 3.98 -1.23 0.00 -1.26 -5.01 105.19 103.84 1rjc n GLY 71 Ca 0.11 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 1rjc n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rjc s SER 72 N -2.36 4.72 0.44 1.61 1.04 -1.04 -5.09 113.70 113.03 1rjc s SER 72 Ca 0.00 -0.14 0.07 0.00 0.48 0.00 0.00 55.95 56.35 1rjc s SER 72 Cb 0.00 -0.45 -0.03 0.00 0.10 0.00 0.00 66.02 65.64 1rjc s SER 72 CO 0.00 -1.58 0.23 -0.13 0.98 0.00 0.00 173.24 172.74 1rjc s ARG 73 N -5.02 2.26 -0.38 4.02 3.00 -0.32 -5.00 118.95 117.51 1rjc s ARG 73 Ca 0.62 -1.89 0.10 0.00 0.00 0.00 0.00 55.73 54.57 1rjc s ARG 73 Cb -0.08 -2.01 0.31 0.00 0.00 0.00 0.00 34.95 33.18 1rjc s ARG 73 CO 0.42 -0.24 0.67 -1.71 0.00 0.00 0.00 175.30 174.45 1rjc n ASN 74 N -1.37 0.47 0.22 0.23 5.15 -1.18 -3.91 115.26 114.87 1rjc n ASN 74 Ca -0.02 -2.93 0.07 0.00 -0.60 0.00 0.00 54.58 51.10 1rjc n ASN 74 Cb 0.64 -0.52 0.58 0.00 -0.53 0.00 0.00 39.78 39.95 1rjc n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1rjc h LEU 75 N 3.35 0.07 -0.16 1.20 3.38 -1.05 -0.49 115.31 121.61 1rjc h LEU 75 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1rjc h LEU 75 Cb 0.94 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1rjc h LEU 75 CO 0.47 0.08 -0.06 0.00 0.09 0.00 0.00 178.44 179.03 1rjc n ASN 77 N -1.00 -3.56 -3.70 0.00 5.15 -0.19 -4.99 115.26 106.97 1rjc n ASN 77 Ca 0.16 -0.97 -0.12 0.00 -0.60 0.00 0.00 54.58 53.04 1rjc n ASN 77 Cb 0.24 -3.48 -0.07 0.00 -0.53 0.00 0.00 39.78 35.94 1rjc n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1rjc s ILE 78 N -3.61 0.06 0.31 -1.44 -4.36 -1.26 -5.07 121.20 105.83 1rjc s ILE 78 Ca 0.29 -0.53 -0.28 0.00 -0.26 0.00 0.00 60.65 59.87 1rjc s ILE 78 Cb -0.10 -0.92 -0.09 0.00 1.25 0.00 0.00 42.46 42.60 1rjc s ILE 78 CO 0.86 -0.29 1.04 -2.16 0.24 0.00 0.00 174.94 174.62 1rjc s PRO 79 N -2.38 4.56 0.59 0.37 0.04 -1.26 -1.29 135.00 135.63 1rjc s PRO 79 Ca -0.06 1.61 0.30 0.00 0.04 0.00 0.00 61.00 62.89 1rjc s PRO 79 Cb -0.01 -3.00 1.79 0.00 0.04 0.00 0.00 34.50 33.32 1rjc s PRO 79 CO -0.02 0.20 2.22 0.00 0.04 0.00 0.00 177.00 179.44 1rjc h SER 81 N 0.00 0.00 0.52 0.00 4.64 -1.91 -0.50 113.55 116.31 1rjc h SER 81 Ca 0.02 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 1rjc h SER 81 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1rjc h SER 81 CO -0.00 0.02 -0.09 0.00 -0.87 0.00 0.00 176.83 175.90 1rjc h ALA 82 N 1.98 1.14 -0.03 5.18 0.00 -1.43 -1.78 119.26 124.33 1rjc h ALA 82 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1rjc h ALA 82 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1rjc h ALA 82 CO 0.00 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.64 1rjc n LEU 83 N -3.39 0.61 -0.89 0.00 4.77 -0.20 -3.51 117.00 114.38 1rjc n LEU 83 Ca -0.01 -0.22 0.07 0.00 -0.03 0.00 0.00 56.01 55.82 1rjc n LEU 83 Cb 0.25 -0.01 0.22 0.00 -2.33 0.00 0.00 43.42 41.54 1rjc n LEU 83 CO 0.28 0.11 0.68 0.18 -1.33 0.00 0.00 177.39 177.32 1rjc n LEU 84 N -0.48 3.43 -4.84 2.23 4.77 -0.67 -3.77 117.00 117.68 1rjc n LEU 84 Ca 0.19 -2.19 -0.31 0.00 -0.03 0.00 0.00 56.01 53.68 1rjc n LEU 84 Cb 0.19 -0.35 0.04 0.00 -2.33 0.00 0.00 43.42 40.97 1rjc n LEU 84 CO 0.15 0.77 0.71 -0.55 -1.33 0.00 0.00 177.39 177.15 1rjc s SER 85 N -1.12 5.66 0.47 -1.43 0.15 -1.23 -4.45 113.70 111.75 1rjc s SER 85 Ca 0.33 1.53 0.26 0.00 0.70 0.00 0.00 55.95 58.77 1rjc s SER 85 Cb 0.20 -2.46 0.74 0.00 -1.71 0.00 0.00 66.02 62.78 1rjc s SER 85 CO 0.19 -1.25 1.75 0.28 1.20 0.00 0.00 173.24 175.40 1rjc h SER 86 N -0.59 0.00 -3.46 5.45 0.02 -1.93 -3.41 113.55 109.62 1rjc h SER 86 Ca -0.44 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.91 1rjc h SER 86 Cb 1.21 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.64 1rjc h SER 86 CO 0.59 0.06 0.03 -0.62 -1.14 0.00 0.00 176.83 175.75 1rjc s ASP 87 N -6.05 6.59 0.00 3.07 -1.08 -1.26 -4.97 116.67 112.97 1rjc s ASP 87 Ca 0.04 0.71 0.25 0.00 -0.52 0.00 0.00 52.55 53.03 1rjc s ASP 87 Cb 0.07 -2.31 1.49 0.00 -1.46 0.00 0.00 42.92 40.71 1rjc s ASP 87 CO 0.63 -0.24 1.95 2.30 0.52 0.00 0.00 175.17 180.33 1rjc n ILE 88 N 4.71 0.00 -0.15 4.11 -5.35 -1.26 -4.40 119.36 117.02 1rjc n ILE 88 Ca -0.03 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.36 1rjc n ILE 88 Cb 0.50 -0.40 -0.04 0.00 -1.74 0.00 0.00 39.64 37.96 1rjc n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1rjc h THR 89 N 0.00 0.13 -0.57 7.28 2.02 -1.94 0.28 112.91 120.10 1rjc h THR 89 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1rjc h THR 89 Cb 0.00 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.50 1rjc h THR 89 CO 0.00 0.00 0.35 0.00 0.37 0.00 0.00 175.52 176.24 1rjc h ALA 90 N 0.56 0.73 -0.58 6.16 0.00 -1.83 -0.11 119.26 124.19 1rjc h ALA 90 Ca 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1rjc h ALA 90 Cb 0.57 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1rjc h ALA 90 CO -0.60 0.09 0.20 0.77 0.00 0.00 0.00 179.25 179.71 1rjc h SER 91 N 0.71 0.83 -0.20 0.00 0.02 -1.66 -1.67 113.55 111.58 1rjc h SER 91 Ca 0.22 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1rjc h SER 91 Cb -0.01 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1rjc h SER 91 CO -0.09 0.80 0.03 0.58 -1.14 0.00 0.00 176.83 177.01 1rjc h VAL 92 N 0.81 1.23 -0.97 2.27 2.07 -0.66 0.48 116.25 121.49 1rjc h VAL 92 Ca 0.19 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.97 1rjc h VAL 92 Cb 0.26 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 1rjc h VAL 92 CO -0.01 0.24 0.64 0.78 0.02 0.00 0.00 177.57 179.23 1rjc h ASN 93 N 0.13 1.07 -0.21 0.57 2.35 -0.92 -0.91 115.58 117.66 1rjc h ASN 93 Ca 0.06 -0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.59 1rjc h ASN 93 Cb 0.33 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1rjc h ASN 93 CO 0.01 0.75 -0.65 0.00 -1.65 0.00 0.00 177.43 175.89 1rjc h ALA 95 N 0.65 1.61 -0.16 0.00 0.00 -0.25 -0.80 119.26 120.30 1rjc h ALA 95 Ca -0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1rjc h ALA 95 Cb 1.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1rjc h ALA 95 CO 0.14 0.34 -0.16 0.87 0.00 0.00 0.00 179.25 180.44 1rjc h LYS 96 N 0.79 0.26 -0.06 0.00 1.57 -1.09 -0.98 116.57 117.07 1rjc h LYS 96 Ca 0.24 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.82 1rjc h LYS 96 Cb -0.01 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.28 1rjc h LYS 96 CO -0.06 0.43 -0.50 0.87 -0.57 0.00 0.00 179.45 179.62 1rjc h LYS 97 N 0.25 0.44 -0.34 3.15 1.57 -1.17 -3.27 116.57 117.20 1rjc h LYS 97 Ca 0.05 -0.39 0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1rjc h LYS 97 Cb 0.44 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1rjc h LYS 97 CO 0.03 1.04 0.16 0.82 -0.57 0.00 0.00 179.45 180.93 1rjc h ILE 98 N -0.03 0.97 0.00 1.86 2.04 -0.87 -2.26 117.51 119.22 1rjc h ILE 98 Ca -0.05 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1rjc h ILE 98 Cb 1.17 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1rjc h ILE 98 CO 0.10 0.06 0.00 0.55 0.00 0.00 0.00 178.15 178.86 1rjc n VAL 99 N -4.96 1.16 0.05 1.67 3.14 -0.40 -1.17 118.33 117.82 1rjc n VAL 99 Ca 0.00 0.43 0.09 0.00 -2.96 0.00 0.00 64.34 61.91 1rjc n VAL 99 Cb 0.09 -1.36 0.19 0.00 -1.06 0.00 0.00 33.84 31.71 1rjc n VAL 99 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1rjc n SER 100 N -1.94 3.20 0.00 6.55 3.41 -0.86 -3.63 113.62 120.34 1rjc n SER 100 Ca 0.01 -1.92 0.07 0.00 -0.26 0.00 0.00 58.87 56.77 1rjc n SER 100 Cb 0.12 -0.26 0.41 0.00 -0.26 0.00 0.00 64.21 64.22 1rjc n SER 100 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1rjc n ASP 101 N 1.12 0.00 0.00 4.04 2.03 -0.32 -4.88 116.55 118.55 1rjc n ASP 101 Ca 0.16 -1.44 0.00 0.00 0.52 0.00 0.00 54.79 54.03 1rjc n ASP 101 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 1rjc n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rjc n GLY 102 N 0.63 1.50 0.42 0.27 0.00 -1.26 -4.94 105.19 101.82 1rjc n GLY 102 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1rjc n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rjc n ASN 103 N 0.00 2.78 0.00 1.61 2.04 -1.26 -5.09 115.26 115.34 1rjc n ASN 103 Ca 0.00 -2.39 0.00 0.00 -0.44 0.00 0.00 54.58 51.75 1rjc n ASN 103 Cb 0.00 -0.26 0.00 0.00 -2.53 0.00 0.00 39.78 36.99 1rjc n ASN 103 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1rjc n GLY 104 N -0.30 2.18 0.00 4.83 0.00 -1.24 -1.54 105.19 109.12 1rjc n GLY 104 Ca 0.11 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.84 1rjc n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1rjc n MET 105 N 9.95 0.69 0.07 1.61 0.00 -1.26 -3.28 117.12 124.90 1rjc n MET 105 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 57.70 57.78 1rjc n MET 105 Cb 0.00 -1.50 0.33 0.00 0.00 0.00 0.00 33.22 32.05 1rjc n MET 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1rjc n ASN 106 N -1.08 0.30 0.24 7.83 3.02 -0.59 -1.27 115.26 123.72 1rjc n ASN 106 Ca 0.17 0.61 0.07 0.00 -0.03 0.00 0.00 54.58 55.41 1rjc n ASN 106 Cb 0.12 -0.66 0.59 0.00 -0.61 0.00 0.00 39.78 39.22 1rjc n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rjc h ALA 107 N 2.15 1.80 -1.94 5.41 0.00 -1.71 -3.36 119.26 121.61 1rjc h ALA 107 Ca 0.00 -0.09 -0.68 0.00 0.00 0.00 0.00 54.91 54.15 1rjc h ALA 107 Cb 0.12 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.72 1rjc h ALA 107 CO 0.00 0.12 0.18 -1.58 0.00 0.00 0.00 179.25 177.97 1rjc s TRP 108 N -4.80 2.96 0.28 0.00 0.51 -0.40 -4.93 118.94 112.56 1rjc s TRP 108 Ca -0.04 -0.64 -0.01 0.00 -2.12 0.00 0.00 56.10 53.28 1rjc s TRP 108 Cb 0.16 -3.85 0.46 0.00 -0.81 0.00 0.00 33.47 29.43 1rjc s TRP 108 CO 0.67 -1.23 1.88 0.28 -0.51 0.00 0.00 176.95 178.04 1rjc h VAL 109 N 5.91 1.05 -0.25 4.03 2.07 -1.84 -0.86 116.25 126.37 1rjc h VAL 109 Ca -0.28 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 1rjc h VAL 109 Cb 1.09 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1rjc h VAL 109 CO 1.05 0.20 -0.21 0.00 0.02 0.00 0.00 177.57 178.64 1rjc h ALA 110 N 1.48 1.18 -0.34 1.67 0.00 -1.91 -1.43 119.26 119.91 1rjc h ALA 110 Ca 0.44 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1rjc h ALA 110 Cb 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1rjc h ALA 110 CO -0.19 0.52 -0.10 2.35 0.00 0.00 0.00 179.25 181.84 1rjc h TRP 111 N 0.41 0.75 -0.92 0.00 7.01 -1.56 0.60 115.95 122.23 1rjc h TRP 111 Ca 0.07 -0.17 0.04 0.00 2.11 0.00 0.00 58.89 60.94 1rjc h TRP 111 Cb 0.60 -0.18 -0.06 0.00 -2.10 0.00 0.00 29.16 27.42 1rjc h TRP 111 CO 0.02 0.83 0.59 -0.09 -2.79 0.00 0.00 178.44 177.01 1rjc h ARG 112 N 0.44 1.10 0.05 2.65 2.43 -0.81 0.12 114.38 120.37 1rjc h ARG 112 Ca 0.08 -0.07 -0.28 0.00 -0.81 0.00 0.00 59.98 58.91 1rjc h ARG 112 Cb 0.60 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1rjc h ARG 112 CO 0.04 0.73 -1.50 -0.91 -1.51 0.00 0.00 179.97 176.82 1rjc h ASN 113 N 1.13 0.16 0.00 -3.80 2.35 -1.15 -3.38 115.58 110.89 1rjc h ASN 113 Ca 0.37 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1rjc h ASN 113 Cb 0.04 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1rjc h ASN 113 CO -0.13 1.21 -1.55 0.54 -1.65 0.00 0.00 177.43 175.84 1rjc n ARG 114 N -3.28 0.51 -0.05 0.81 5.12 0.19 -4.86 116.66 115.09 1rjc n ARG 114 Ca -0.14 -0.10 -0.09 0.00 -1.93 0.00 0.00 57.85 55.60 1rjc n ARG 114 Cb 1.02 -1.28 -0.04 0.00 -1.16 0.00 0.00 32.46 31.00 1rjc n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rjc n LYS 116 N -3.12 1.24 -0.97 0.00 4.81 0.18 -1.29 118.16 119.02 1rjc n LYS 116 Ca -0.19 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1rjc n LYS 116 Cb 0.67 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.59 1rjc n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rjc n GLY 117 N 3.32 0.69 3.99 3.14 0.00 -1.26 -4.97 105.19 110.09 1rjc n GLY 117 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 1rjc n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rjc s THR 118 N -2.87 2.24 -1.28 2.61 -4.23 -0.41 -4.99 115.64 106.71 1rjc s THR 118 Ca 0.00 -1.12 -0.17 0.00 -1.18 0.00 0.00 61.69 59.22 1rjc s THR 118 Cb 0.00 -2.36 -0.00 0.00 1.34 0.00 0.00 72.50 71.48 1rjc s THR 118 CO 0.00 0.00 2.08 -0.67 -0.54 0.00 0.00 174.62 175.49 1rjc n ASP 119 N -2.02 3.73 0.31 3.99 2.03 -1.26 -4.72 116.55 118.60 1rjc n ASP 119 Ca 0.10 -2.81 0.20 0.00 0.52 0.00 0.00 54.79 52.79 1rjc n ASP 119 Cb 0.62 -1.57 0.99 0.00 -0.72 0.00 0.00 41.12 40.44 1rjc n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1rjc h VAL 120 N 4.45 0.09 0.00 5.18 -1.51 -1.91 -2.10 116.25 120.45 1rjc h VAL 120 Ca 0.50 -0.22 -0.01 0.00 -1.23 0.00 0.00 66.70 65.75 1rjc h VAL 120 Cb 0.70 1.20 -0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1rjc h VAL 120 CO 1.80 0.01 -0.03 1.56 -1.23 0.00 0.00 177.57 179.69 1rjc h GLN 121 N 0.00 0.00 0.00 5.19 7.50 -1.88 -0.86 115.11 125.06 1rjc h GLN 121 Ca -0.00 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 1rjc h GLN 121 Cb 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.73 1rjc h GLN 121 CO 0.00 0.03 -0.01 0.00 -1.50 0.00 0.00 178.83 177.35 1rjc h ALA 122 N 1.97 1.36 0.00 3.87 0.00 -1.78 -1.25 119.26 123.44 1rjc h ALA 122 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rjc h ALA 122 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1rjc h ALA 122 CO 0.00 0.01 0.00 -1.49 0.00 0.00 0.00 179.25 177.77 1rjc h TRP 123 N 0.00 0.00 -0.02 0.00 4.06 -1.36 -3.02 115.95 115.61 1rjc h TRP 123 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1rjc h TRP 123 Cb 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 1rjc h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1rjc n ILE 124 N -2.42 0.18 -1.88 1.49 -5.35 -0.52 -4.79 119.36 106.08 1rjc n ILE 124 Ca 0.03 -0.59 -0.42 0.00 -0.27 0.00 0.00 62.75 61.50 1rjc n ILE 124 Cb 0.30 0.97 -0.02 0.00 -1.74 0.00 0.00 39.64 39.14 1rjc n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1rjc s ARG 125 N -0.41 4.19 0.00 6.28 6.06 -0.92 -1.98 118.95 132.17 1rjc s ARG 125 Ca 0.04 2.45 0.00 0.00 -2.50 0.00 0.00 55.73 55.72 1rjc s ARG 125 Cb 0.03 -3.09 0.00 0.00 0.06 0.00 0.00 34.95 31.95 1rjc s ARG 125 CO 0.04 -0.58 0.00 0.41 -2.50 0.00 0.00 175.30 172.67 1rjc n GLY 126 N 2.80 0.98 3.82 8.12 0.00 -1.26 -5.02 105.19 114.64 1rjc n GLY 126 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1rjc n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjc s ARG 128 N -1.45 3.35 0.00 0.00 3.52 -1.26 -5.09 118.95 118.01 1rjc s ARG 128 Ca 0.33 -0.24 0.25 0.00 -0.13 0.00 0.00 55.73 55.93 1rjc s ARG 128 Cb -0.18 -3.94 0.38 0.00 -1.56 0.00 0.00 34.95 29.65 1rjc s ARG 128 CO 0.19 -1.04 1.37 1.28 -0.81 0.00 0.00 175.30 176.29