#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mel s VAL 2 N 0.00 4.62 0.88 3.15 1.01 -1.25 -0.59 120.40 128.22 1mel s VAL 2 Ca 0.00 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 60.68 1mel s VAL 2 Cb 0.00 -3.75 0.12 0.00 0.00 0.00 0.00 36.38 32.75 1mel s VAL 2 CO 0.00 -0.47 1.10 -0.36 0.00 0.00 0.00 175.10 175.36 1mel s PHE 3 N 1.52 2.43 0.14 5.22 0.40 0.02 -4.98 117.98 122.73 1mel s PHE 3 Ca 0.03 1.18 -0.02 0.00 -0.60 0.00 0.00 56.93 57.52 1mel s PHE 3 Cb -0.23 -3.18 -0.05 0.00 0.51 0.00 0.00 43.02 40.08 1mel s PHE 3 CO 0.04 -2.29 0.33 0.20 0.70 0.00 0.00 175.22 174.21 1mel s GLY 4 N -3.58 2.10 0.11 4.36 0.00 -1.26 -4.87 107.32 104.17 1mel s GLY 4 Ca 0.63 -0.72 -0.28 0.00 0.00 0.00 0.00 44.72 44.35 1mel s GLY 4 CO 0.56 -0.66 1.47 -0.09 0.00 0.00 0.00 173.10 174.37 1mel h ARG 5 N 2.66 -0.36 0.00 2.90 2.43 -1.96 0.41 114.38 120.45 1mel h ARG 5 Ca -0.46 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 1mel h ARG 5 Cb 1.17 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1mel h ARG 5 CO 0.72 -0.24 -0.05 0.00 -1.51 0.00 0.00 179.97 178.89 1mel h GLU 7 N 0.00 -0.00 -0.47 0.00 4.81 -1.43 -2.82 114.58 114.66 1mel h GLU 7 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1mel h GLU 7 Cb 0.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1mel h GLU 7 CO 0.01 0.75 0.29 1.25 -0.73 0.00 0.00 179.01 180.57 1mel h LEU 8 N -0.77 0.57 -0.25 1.64 5.85 0.23 -1.65 115.31 120.93 1mel h LEU 8 Ca -0.00 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1mel h LEU 8 Cb 0.76 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1mel h LEU 8 CO 0.00 0.46 -0.16 0.00 -0.34 0.00 0.00 178.44 178.40 1mel h ALA 9 N 1.13 0.02 -0.43 1.25 0.00 -1.01 0.35 119.26 120.58 1mel h ALA 9 Ca 0.17 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.22 1mel h ALA 9 Cb -0.01 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1mel h ALA 9 CO -0.03 -0.57 0.17 0.00 0.00 0.00 0.00 179.25 178.82 1mel h ALA 10 N 1.02 0.52 -0.65 0.00 0.00 -1.31 0.26 119.26 119.10 1mel h ALA 10 Ca 0.14 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1mel h ALA 10 Cb 0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1mel h ALA 10 CO -0.33 -0.20 0.13 0.00 0.00 0.00 0.00 179.25 178.84 1mel h ALA 11 N 1.26 1.00 -0.25 0.00 0.00 -0.59 -1.32 119.26 119.35 1mel h ALA 11 Ca 0.19 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1mel h ALA 11 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1mel h ALA 11 CO -0.17 0.64 -0.47 0.52 0.00 0.00 0.00 179.25 179.76 1mel h MET 12 N 0.98 0.67 -0.06 0.00 2.86 0.31 -2.23 114.93 117.46 1mel h MET 12 Ca 0.20 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1mel h MET 12 Cb 0.39 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1mel h MET 12 CO 0.01 1.00 0.03 -0.22 1.06 0.00 0.00 176.91 178.78 1mel h LYS 13 N 0.54 0.06 0.00 1.72 3.64 -0.26 -1.19 116.57 121.08 1mel h LYS 13 Ca 0.03 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1mel h LYS 13 Cb 1.02 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1mel h LYS 13 CO 0.10 0.04 -0.11 0.00 -2.27 0.00 0.00 179.45 177.21 1mel h ARG 14 N 0.06 0.00 -0.83 1.90 3.08 -1.22 -1.44 114.38 115.93 1mel h ARG 14 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1mel h ARG 14 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1mel h ARG 14 CO -0.02 0.11 0.00 0.72 -1.07 0.00 0.00 179.97 179.71 1mel n HIS 15 N -4.29 0.70 -1.90 3.04 8.25 -0.48 -4.90 115.22 115.64 1mel n HIS 15 Ca -0.03 -0.24 -0.16 0.00 -0.26 0.00 0.00 57.72 57.03 1mel n HIS 15 Cb 0.18 -0.23 -0.04 0.00 1.12 0.00 0.00 29.99 31.03 1mel n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mel n GLY 16 N 0.25 0.61 0.14 -1.41 0.00 -0.54 -4.92 105.19 99.31 1mel n GLY 16 Ca 0.09 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1mel n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mel h LEU 17 N 0.00 0.00 -9.35 0.99 3.38 -1.61 -3.41 115.31 105.31 1mel h LEU 17 Ca -0.35 -0.03 -0.54 0.00 0.09 0.00 0.00 57.88 57.05 1mel h LEU 17 Cb 1.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 1mel h LEU 17 CO 0.45 0.02 0.92 -0.62 0.09 0.00 0.00 178.44 179.30 1mel s ASP 18 N -5.11 6.77 -1.89 -0.43 -1.08 -1.26 -2.16 116.67 111.51 1mel s ASP 18 Ca 0.08 2.18 0.00 0.00 -0.52 0.00 0.00 52.55 54.29 1mel s ASP 18 Cb 0.10 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1mel s ASP 18 CO 0.65 -0.79 0.00 0.59 0.52 0.00 0.00 175.17 176.14 1mel n ASN 19 N 5.85 -5.85 -4.64 -0.34 3.02 -0.15 -4.89 115.26 108.26 1mel n ASN 19 Ca 0.14 0.10 -0.43 0.00 -0.03 0.00 0.00 54.58 54.37 1mel n ASN 19 Cb 0.43 -4.93 -0.02 0.00 -0.61 0.00 0.00 39.78 34.64 1mel n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1mel s TYR 20 N -2.99 2.47 -1.60 3.10 5.04 -0.92 -1.14 117.35 121.32 1mel s TYR 20 Ca 0.00 0.72 0.00 0.00 -2.44 0.00 0.00 57.07 55.35 1mel s TYR 20 Cb 0.00 -3.80 0.00 0.00 0.35 0.00 0.00 41.96 38.51 1mel s TYR 20 CO 0.00 -2.38 0.00 0.54 -1.34 0.00 0.00 175.55 172.37 1mel n ARG 21 N 7.15 -1.41 -0.41 4.97 5.12 -1.26 -1.39 116.66 129.43 1mel n ARG 21 Ca 0.16 1.02 0.00 0.00 -1.93 0.00 0.00 57.85 57.10 1mel n ARG 21 Cb 0.45 -5.33 0.00 0.00 -1.16 0.00 0.00 32.46 26.42 1mel n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mel n GLY 22 N -0.40 0.75 3.56 -0.13 0.00 -0.29 -5.04 105.19 103.64 1mel n GLY 22 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1mel n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mel s TYR 23 N -2.39 3.08 0.68 1.61 2.02 -0.49 -4.79 117.35 117.07 1mel s TYR 23 Ca 0.00 0.27 -0.17 0.00 -0.37 0.00 0.00 57.07 56.80 1mel s TYR 23 Cb 0.00 -3.39 0.01 0.00 -0.40 0.00 0.00 41.96 38.18 1mel s TYR 23 CO 0.00 -0.80 1.23 -1.54 -1.57 0.00 0.00 175.55 172.87 1mel s SER 24 N 1.94 4.50 0.54 2.29 1.04 -1.26 -0.97 113.70 121.78 1mel s SER 24 Ca 0.27 2.44 0.32 0.00 0.48 0.00 0.00 55.95 59.46 1mel s SER 24 Cb -0.13 -2.60 1.48 0.00 0.10 0.00 0.00 66.02 64.87 1mel s SER 24 CO 0.18 -2.06 1.89 0.25 0.98 0.00 0.00 173.24 174.48 1mel h LEU 25 N 0.18 0.00 -2.43 2.42 5.85 -1.91 -1.83 115.31 117.59 1mel h LEU 25 Ca -0.49 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1mel h LEU 25 Cb 1.31 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 1mel h LEU 25 CO 0.52 0.00 -0.02 1.23 -0.34 0.00 0.00 178.44 179.82 1mel h GLY 26 N 0.00 0.00 0.83 3.75 0.00 -1.89 -0.84 103.07 104.92 1mel h GLY 26 Ca 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.73 1mel h GLY 26 CO -0.01 0.00 0.01 3.43 0.00 0.00 0.00 176.54 179.97 1mel h ASN 27 N 0.00 0.35 0.05 0.19 2.35 -1.56 -2.22 115.58 114.74 1mel h ASN 27 Ca -0.00 -0.30 -0.07 0.00 -0.55 0.00 0.00 56.30 55.38 1mel h ASN 27 Cb 0.08 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1mel h ASN 27 CO 0.00 0.57 -0.20 -0.50 -1.65 0.00 0.00 177.43 175.65 1mel h TRP 28 N 0.13 0.30 0.09 1.19 4.06 -1.32 -0.97 115.95 119.43 1mel h TRP 28 Ca 0.06 -0.05 -0.26 0.00 2.06 0.00 0.00 58.89 60.70 1mel h TRP 28 Cb 0.38 -0.08 0.01 0.00 -1.00 0.00 0.00 29.16 28.47 1mel h TRP 28 CO 0.03 0.46 -1.15 0.28 -3.56 0.00 0.00 178.44 174.51 1mel h VAL 29 N 0.26 1.45 -0.19 1.49 2.07 -1.41 -2.52 116.25 117.39 1mel h VAL 29 Ca 0.05 -2.80 -0.15 0.00 0.82 0.00 0.00 66.70 64.61 1mel h VAL 29 Cb 0.50 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1mel h VAL 29 CO 0.03 0.83 -0.48 0.00 0.02 0.00 0.00 177.57 177.97 1mel h ALA 31 N 0.58 -1.12 -0.90 0.00 0.00 -1.26 -0.87 119.26 115.69 1mel h ALA 31 Ca -0.01 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 54.89 1mel h ALA 31 Cb 1.09 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 19.41 1mel h ALA 31 CO 0.10 -1.16 0.60 0.00 0.00 0.00 0.00 179.25 178.79 1mel h ALA 32 N -0.89 2.18 0.03 0.00 0.00 -1.48 0.17 119.26 119.26 1mel h ALA 32 Ca -0.08 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1mel h ALA 32 Cb 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1mel h ALA 32 CO 0.04 -0.46 -0.02 -0.22 0.00 0.00 0.00 179.25 178.60 1mel h LYS 33 N 0.43 -0.04 -0.00 0.00 1.63 -0.71 -1.93 116.57 115.94 1mel h LYS 33 Ca 0.47 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.27 1mel h LYS 33 Cb 1.14 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1mel h LYS 33 CO -0.18 0.38 -0.13 1.19 -3.45 0.00 0.00 179.45 177.25 1mel n PHE 34 N -4.91 0.00 -0.00 1.91 3.72 -0.39 -0.90 117.46 116.89 1mel n PHE 34 Ca -0.08 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1mel n PHE 34 Cb 0.23 -0.42 -0.00 0.00 -0.94 0.00 0.00 39.48 38.35 1mel n PHE 34 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1mel h GLU 35 N 0.02 0.00 -0.02 -1.08 4.39 -0.70 -3.44 114.58 113.76 1mel h GLU 35 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1mel h GLU 35 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1mel h GLU 35 CO 0.00 0.00 -0.01 -1.13 -1.16 0.00 0.00 179.01 176.71 1mel n SER 36 N -2.32 2.03 -1.13 1.42 3.41 -0.76 -4.90 113.62 111.37 1mel n SER 36 Ca -0.00 -1.51 -0.14 0.00 -0.26 0.00 0.00 58.87 56.96 1mel n SER 36 Cb 0.01 0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 1mel n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1mel n ASN 37 N 0.67 -4.57 -0.59 4.04 5.15 -0.08 -2.37 115.26 117.51 1mel n ASN 37 Ca 0.07 0.28 -0.06 0.00 -0.60 0.00 0.00 54.58 54.27 1mel n ASN 37 Cb 0.32 -3.35 -0.01 0.00 -0.53 0.00 0.00 39.78 36.20 1mel n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1mel n PHE 38 N -2.83 -0.15 -3.68 1.20 3.72 -1.18 -4.84 117.46 109.70 1mel n PHE 38 Ca -0.14 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.87 1mel n PHE 38 Cb 0.48 -1.63 -0.12 0.00 -0.94 0.00 0.00 39.48 37.26 1mel n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1mel s ASN 39 N -2.83 5.44 0.00 4.37 3.84 -1.00 -0.80 114.94 123.97 1mel s ASN 39 Ca 0.00 -0.77 0.17 0.00 0.21 0.00 0.00 52.86 52.47 1mel s ASN 39 Cb 0.00 -1.96 0.89 0.00 -0.55 0.00 0.00 41.25 39.63 1mel s ASN 39 CO 0.00 -0.26 1.47 0.35 -2.79 0.00 0.00 177.10 175.87 1mel n THR 40 N 4.93 0.38 0.56 -5.21 -2.24 0.24 -2.93 114.28 110.02 1mel n THR 40 Ca -0.13 0.10 0.07 0.00 -2.27 0.00 0.00 64.05 61.81 1mel n THR 40 Cb 0.47 -0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 67.79 1mel n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mel n GLN 41 N -1.21 1.87 -1.63 -0.78 6.02 -1.26 -4.11 117.38 116.27 1mel n GLN 41 Ca 0.09 -0.02 -0.46 0.00 -0.01 0.00 0.00 57.00 56.60 1mel n GLN 41 Cb 0.11 -1.22 -0.03 0.00 1.02 0.00 0.00 30.24 30.13 1mel n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mel n ALA 42 N -1.47 0.38 -3.00 -1.58 0.00 -1.15 -4.68 120.51 109.01 1mel n ALA 42 Ca 0.02 0.42 -0.14 0.00 0.00 0.00 0.00 53.44 53.74 1mel n ALA 42 Cb 0.26 -2.17 -0.15 0.00 0.00 0.00 0.00 19.45 17.39 1mel n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1mel s THR 43 N -0.29 0.18 -0.09 0.00 -4.23 -1.25 -0.73 115.64 109.23 1mel s THR 43 Ca 0.68 -0.06 -0.02 0.00 -1.18 0.00 0.00 61.69 61.11 1mel s THR 43 Cb -0.71 -0.18 0.03 0.00 1.34 0.00 0.00 72.50 72.98 1mel s THR 43 CO 0.52 0.07 0.01 0.20 -0.54 0.00 0.00 174.62 174.89 1mel s ASN 44 N 0.16 1.79 0.15 3.99 0.01 0.18 -4.93 114.94 116.30 1mel s ASN 44 Ca -0.01 -0.21 -0.30 0.00 -0.71 0.00 0.00 52.86 51.63 1mel s ASN 44 Cb -0.04 -0.44 -0.07 0.00 0.41 0.00 0.00 41.25 41.12 1mel s ASN 44 CO -0.00 -0.22 0.99 -0.60 -1.51 0.00 0.00 177.10 175.75 1mel s ARG 45 N 1.98 4.70 0.24 -0.60 6.06 -1.26 0.63 118.95 130.69 1mel s ARG 45 Ca 0.04 1.52 0.06 0.00 -2.50 0.00 0.00 55.73 54.85 1mel s ARG 45 Cb -0.13 -3.34 -0.04 0.00 0.06 0.00 0.00 34.95 31.50 1mel s ARG 45 CO -0.06 0.23 0.22 -0.80 -2.50 0.00 0.00 175.30 172.39 1mel s ASN 46 N -0.21 5.67 0.57 -2.12 0.01 0.32 -4.95 114.94 114.23 1mel s ASN 46 Ca 0.47 -0.17 0.28 0.00 -0.71 0.00 0.00 52.86 52.72 1mel s ASN 46 Cb -0.25 -1.50 1.49 0.00 0.41 0.00 0.00 41.25 41.41 1mel s ASN 46 CO 0.31 -0.03 1.97 0.71 -1.51 0.00 0.00 177.10 178.55 1mel h THR 47 N 1.51 0.50 -0.37 1.60 1.35 -1.97 0.91 112.91 116.43 1mel h THR 47 Ca -0.49 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.31 1mel h THR 47 Cb 1.23 0.69 -0.03 0.00 -1.73 0.00 0.00 68.15 68.31 1mel h THR 47 CO 0.61 0.00 0.07 -0.90 -0.25 0.00 0.00 175.52 175.05 1mel n ASP 48 N -3.96 3.66 0.00 5.36 5.75 -1.26 -4.88 116.55 121.23 1mel n ASP 48 Ca 0.08 -2.61 0.00 0.00 -0.01 0.00 0.00 54.79 52.25 1mel n ASP 48 Cb 0.60 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1mel n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mel n GLY 49 N 0.21 2.82 3.67 6.12 0.00 0.31 -4.92 105.19 113.41 1mel n GLY 49 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1mel n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mel s SER 50 N -0.37 2.90 0.03 1.61 1.04 -1.25 -4.66 113.70 113.00 1mel s SER 50 Ca 0.00 1.46 0.01 0.00 0.48 0.00 0.00 55.95 57.91 1mel s SER 50 Cb 0.00 -2.14 -0.02 0.00 0.10 0.00 0.00 66.02 63.96 1mel s SER 50 CO 0.00 -3.00 -0.05 -0.89 0.98 0.00 0.00 173.24 170.28 1mel s THR 51 N -2.86 0.35 -0.21 2.02 2.01 -1.26 0.12 115.64 115.80 1mel s THR 51 Ca 0.65 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 61.71 1mel s THR 51 Cb -0.19 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.85 1mel s THR 51 CO 0.58 -0.33 0.13 -1.81 -0.69 0.00 0.00 174.62 172.50 1mel s ASP 52 N -1.25 6.09 0.03 3.53 1.01 0.21 -1.96 116.67 124.34 1mel s ASP 52 Ca -0.10 0.16 0.06 0.00 0.71 0.00 0.00 52.55 53.39 1mel s ASP 52 Cb -0.08 -2.08 -0.03 0.00 1.01 0.00 0.00 42.92 41.74 1mel s ASP 52 CO -0.00 0.13 -0.16 -0.31 0.21 0.00 0.00 175.17 175.03 1mel s TYR 53 N 0.66 2.60 0.00 4.23 2.02 0.87 -0.65 117.35 127.09 1mel s TYR 53 Ca 0.07 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 1mel s TYR 53 Cb -0.12 -1.49 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 1mel s TYR 53 CO 0.01 0.26 0.00 0.41 -1.57 0.00 0.00 175.55 174.66 1mel n GLY 54 N 1.58 -1.93 0.20 0.71 0.00 0.09 -0.88 105.19 104.97 1mel n GLY 54 Ca -0.16 -1.37 0.05 0.00 0.00 0.00 0.00 46.02 44.54 1mel n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1mel h ILE 55 N 0.00 1.02 -0.12 -0.61 6.09 -1.73 -2.78 117.51 119.39 1mel h ILE 55 Ca 0.00 -1.17 -0.05 0.00 -1.37 0.00 0.00 64.86 62.26 1mel h ILE 55 Cb 0.00 1.67 -0.03 0.00 0.47 0.00 0.00 36.82 38.93 1mel h ILE 55 CO 0.00 0.31 -0.27 0.18 -3.07 0.00 0.00 178.15 175.30 1mel n LEU 56 N -3.86 3.14 -3.84 2.19 4.77 -1.26 -3.80 117.00 114.35 1mel n LEU 56 Ca -0.01 -3.70 -0.24 0.00 -0.03 0.00 0.00 56.01 52.03 1mel n LEU 56 Cb 0.39 -0.55 -0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1mel n LEU 56 CO 0.36 1.22 -0.12 0.00 -1.33 0.00 0.00 177.39 177.53 1mel n GLN 57 N -1.13 -0.67 -2.44 3.23 1.13 -1.05 -4.87 117.38 111.59 1mel n GLN 57 Ca 0.23 -0.18 -0.42 0.00 -1.94 0.00 0.00 57.00 54.70 1mel n GLN 57 Cb 0.80 -1.02 -0.03 0.00 0.11 0.00 0.00 30.24 30.09 1mel n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mel s ILE 58 N -4.14 3.90 0.20 5.09 1.01 -0.06 -4.38 121.20 122.82 1mel s ILE 58 Ca 0.22 1.47 -0.22 0.00 0.00 0.00 0.00 60.65 62.12 1mel s ILE 58 Cb -0.12 -3.94 -0.08 0.00 0.01 0.00 0.00 42.46 38.32 1mel s ILE 58 CO 0.52 0.18 0.76 0.21 0.00 0.00 0.00 174.94 176.60 1mel s ASN 59 N 0.56 7.22 0.21 3.58 3.84 -1.26 -0.09 114.94 129.00 1mel s ASN 59 Ca 0.55 1.54 0.26 0.00 0.21 0.00 0.00 52.86 55.42 1mel s ASN 59 Cb -0.30 -2.46 0.79 0.00 -0.55 0.00 0.00 41.25 38.73 1mel s ASN 59 CO 0.32 0.10 1.76 -1.54 -2.79 0.00 0.00 177.10 174.96 1mel n SER 60 N 1.09 0.83 0.13 -4.21 3.41 -0.83 -1.71 113.62 112.33 1mel n SER 60 Ca -0.04 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 1mel n SER 60 Cb 0.50 -0.78 0.27 0.00 -0.26 0.00 0.00 64.21 63.95 1mel n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1mel h ARG 61 N 0.00 0.00 0.00 4.33 2.43 -1.88 -3.41 114.38 115.86 1mel h ARG 61 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1mel h ARG 61 Cb 0.74 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1mel h ARG 61 CO 0.00 0.00 -0.57 0.91 -1.51 0.00 0.00 179.97 178.80 1mel n TRP 62 N -2.49 0.00 -0.01 2.20 7.02 -1.24 0.01 117.44 122.93 1mel n TRP 62 Ca 0.04 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.31 1mel n TRP 62 Cb 0.47 0.05 -0.14 0.00 -2.42 0.00 0.00 31.31 29.27 1mel n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1mel n TRP 63 N -2.23 1.19 -4.21 -5.99 7.02 -0.69 0.18 117.44 112.71 1mel n TRP 63 Ca 0.00 0.26 -0.12 0.00 -1.02 0.00 0.00 57.50 56.62 1mel n TRP 63 Cb 0.28 -1.15 -0.10 0.00 -2.42 0.00 0.00 31.31 27.92 1mel n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1mel s ASN 65 N -3.11 5.24 0.00 0.00 3.84 -0.65 -4.39 114.94 115.87 1mel s ASN 65 Ca 0.16 -0.21 0.13 0.00 0.21 0.00 0.00 52.86 53.15 1mel s ASN 65 Cb 0.05 -1.95 -0.03 0.00 -0.55 0.00 0.00 41.25 38.77 1mel s ASN 65 CO -0.01 -0.05 0.72 -0.90 -2.79 0.00 0.00 177.10 174.06 1mel n ASP 66 N 4.94 1.29 0.00 -4.21 5.75 -1.26 -1.53 116.55 121.53 1mel n ASP 66 Ca -0.16 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 1mel n ASP 66 Cb 0.51 0.56 0.00 0.00 -1.03 0.00 0.00 41.12 41.16 1mel n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mel n GLY 67 N 1.08 2.87 0.35 6.12 0.00 -1.26 -4.84 105.19 109.51 1mel n GLY 67 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1mel n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1mel n ARG 68 N -2.00 2.14 -4.06 1.61 1.85 -1.26 -4.96 116.66 109.99 1mel n ARG 68 Ca 0.00 -2.46 -0.33 0.00 -1.00 0.00 0.00 57.85 54.06 1mel n ARG 68 Cb 0.00 -1.51 -0.15 0.00 -1.05 0.00 0.00 32.46 29.75 1mel n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1mel s THR 69 N -2.44 2.29 0.19 8.89 2.01 -1.26 -4.84 115.64 120.48 1mel s THR 69 Ca 0.30 -1.39 -0.31 0.00 0.31 0.00 0.00 61.69 60.60 1mel s THR 69 Cb 0.24 -2.24 -0.10 0.00 0.01 0.00 0.00 72.50 70.41 1mel s THR 69 CO 0.05 0.12 1.56 -2.16 -0.69 0.00 0.00 174.62 173.51 1mel s PRO 70 N 1.18 4.21 -0.01 4.92 0.04 -1.26 -3.00 135.00 141.07 1mel s PRO 70 Ca -0.04 2.40 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1mel s PRO 70 Cb -0.18 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1mel s PRO 70 CO -0.06 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.79 1mel n GLY 71 N 3.38 0.47 3.63 0.56 0.00 -1.26 -4.94 105.19 107.03 1mel n GLY 71 Ca 0.12 -0.18 -0.58 0.00 0.00 0.00 0.00 46.02 45.37 1mel n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mel n SER 72 N 0.30 2.01 0.18 1.61 2.88 -1.16 -4.78 113.62 114.65 1mel n SER 72 Ca -0.00 0.95 0.06 0.00 -1.33 0.00 0.00 58.87 58.55 1mel n SER 72 Cb 0.02 -1.09 0.20 0.00 -0.75 0.00 0.00 64.21 62.58 1mel n SER 72 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1mel h ARG 73 N 7.84 0.00 -6.76 -1.46 -0.00 -0.59 -3.47 114.38 109.93 1mel h ARG 73 Ca -0.39 0.00 -0.55 0.00 -0.50 0.00 0.00 59.98 58.53 1mel h ARG 73 Cb 1.34 0.00 -0.17 0.00 0.00 0.00 0.00 29.97 31.13 1mel h ARG 73 CO 0.99 0.36 -0.88 -1.71 0.00 0.00 0.00 179.97 178.73 1mel n ASN 74 N -3.29 -1.43 0.33 7.04 4.05 -0.66 -4.82 115.26 116.48 1mel n ASN 74 Ca 0.01 -1.08 0.16 0.00 0.45 0.00 0.00 54.58 54.13 1mel n ASN 74 Cb 0.60 -2.56 0.85 0.00 1.23 0.00 0.00 39.78 39.90 1mel n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1mel h LEU 75 N -1.61 0.00 -1.02 1.20 3.38 0.20 0.92 115.31 118.38 1mel h LEU 75 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1mel h LEU 75 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1mel h LEU 75 CO 0.73 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 179.11 1mel n ASN 77 N 0.13 -3.06 -3.68 0.00 5.15 0.32 -4.97 115.26 109.15 1mel n ASN 77 Ca 0.15 -1.02 -0.14 0.00 -0.60 0.00 0.00 54.58 52.96 1mel n ASN 77 Cb 0.42 -3.19 -0.08 0.00 -0.53 0.00 0.00 39.78 36.40 1mel n ASN 77 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1mel s ILE 78 N -3.67 0.04 0.58 -1.44 2.07 -1.26 -5.08 121.20 112.44 1mel s ILE 78 Ca 0.27 -0.34 -0.15 0.00 -1.41 0.00 0.00 60.65 59.01 1mel s ILE 78 Cb -0.10 -0.78 -0.04 0.00 0.13 0.00 0.00 42.46 41.67 1mel s ILE 78 CO 0.88 -0.19 1.04 -2.84 -1.91 0.00 0.00 174.94 171.92 1mel s PRO 79 N -1.49 3.44 0.29 3.50 0.02 -1.26 -1.64 135.00 137.86 1mel s PRO 79 Ca -0.11 1.11 0.09 0.00 0.02 0.00 0.00 61.00 62.11 1mel s PRO 79 Cb -0.03 -2.05 0.43 0.00 0.02 0.00 0.00 34.50 32.87 1mel s PRO 79 CO 0.05 -0.70 1.66 0.00 -0.33 0.00 0.00 177.00 177.68 1mel h SER 81 N 0.05 0.00 0.80 0.00 4.64 -1.92 -0.29 113.55 116.83 1mel h SER 81 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mel h SER 81 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1mel h SER 81 CO 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 1mel n ALA 82 N -2.26 1.83 1.19 5.18 0.00 -1.07 -2.81 120.51 122.57 1mel n ALA 82 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1mel n ALA 82 Cb 0.15 -1.36 0.27 0.00 0.00 0.00 0.00 19.45 18.51 1mel n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1mel n LEU 83 N -1.92 1.51 -1.58 0.00 4.77 -0.12 -3.99 117.00 115.67 1mel n LEU 83 Ca 0.04 -0.48 0.09 0.00 -0.03 0.00 0.00 56.01 55.62 1mel n LEU 83 Cb 0.25 -0.06 0.35 0.00 -2.33 0.00 0.00 43.42 41.63 1mel n LEU 83 CO 0.20 0.27 0.81 0.18 -1.33 0.00 0.00 177.39 177.52 1mel n LEU 84 N -0.23 4.69 -4.85 2.23 4.77 -1.12 -3.99 117.00 118.50 1mel n LEU 84 Ca 0.12 -2.37 -0.32 0.00 -0.03 0.00 0.00 56.01 53.42 1mel n LEU 84 Cb 0.40 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 1mel n LEU 84 CO 0.25 0.77 0.57 -0.55 -1.33 0.00 0.00 177.39 177.09 1mel s SER 85 N -0.86 6.67 0.03 -1.43 0.15 -1.26 -4.53 113.70 112.47 1mel s SER 85 Ca 0.50 1.43 0.20 0.00 0.70 0.00 0.00 55.95 58.77 1mel s SER 85 Cb 0.32 -2.44 0.84 0.00 -1.71 0.00 0.00 66.02 63.04 1mel s SER 85 CO 0.23 -0.44 1.64 -1.20 1.20 0.00 0.00 173.24 174.66 1mel n SER 86 N -1.17 0.08 -4.31 5.45 7.64 -1.26 -4.26 113.62 115.79 1mel n SER 86 Ca 0.05 0.52 -0.44 0.00 1.01 0.00 0.00 58.87 60.00 1mel n SER 86 Cb 0.54 -0.54 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1mel n SER 86 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1mel s ASP 87 N -3.16 6.04 0.00 6.43 2.15 -1.26 -4.95 116.67 121.92 1mel s ASP 87 Ca 0.09 -1.64 0.00 0.00 0.43 0.00 0.00 52.55 51.43 1mel s ASP 87 Cb 0.12 -2.15 0.02 0.00 -0.30 0.00 0.00 42.92 40.62 1mel s ASP 87 CO 0.37 -0.74 0.39 2.30 -0.17 0.00 0.00 175.17 177.32 1mel n ILE 88 N 5.15 0.00 -0.21 4.11 -5.35 -1.26 -4.01 119.36 117.78 1mel n ILE 88 Ca -0.12 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.38 1mel n ILE 88 Cb 0.41 -0.86 0.13 0.00 -1.74 0.00 0.00 39.64 37.58 1mel n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1mel h THR 89 N 0.00 0.68 -0.30 7.28 2.02 -1.93 0.19 112.91 120.85 1mel h THR 89 Ca 0.00 -0.12 -0.14 0.00 0.77 0.00 0.00 66.41 66.92 1mel h THR 89 Cb 0.00 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1mel h THR 89 CO 0.00 0.06 -0.36 0.00 0.37 0.00 0.00 175.52 175.59 1mel h ALA 90 N 1.48 0.45 0.03 6.16 0.00 -1.84 0.11 119.26 125.65 1mel h ALA 90 Ca 0.34 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1mel h ALA 90 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1mel h ALA 90 CO -0.38 0.52 -0.01 0.77 0.00 0.00 0.00 179.25 180.15 1mel h SER 91 N 0.53 -0.03 -0.78 0.00 0.02 -1.71 -0.93 113.55 110.66 1mel h SER 91 Ca 0.04 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1mel h SER 91 Cb 0.95 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.46 1mel h SER 91 CO 0.09 0.03 0.46 0.58 -1.14 0.00 0.00 176.83 176.84 1mel h VAL 92 N -0.09 1.22 -0.58 2.27 2.07 -0.60 0.18 116.25 120.73 1mel h VAL 92 Ca -0.00 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 1mel h VAL 92 Cb 0.08 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1mel h VAL 92 CO 0.01 0.24 0.01 0.78 0.02 0.00 0.00 177.57 178.62 1mel h ASN 93 N 1.08 0.97 0.10 0.57 2.35 -0.51 -2.38 115.58 117.75 1mel h ASN 93 Ca 0.28 -0.26 -0.28 0.00 -0.55 0.00 0.00 56.30 55.48 1mel h ASN 93 Cb -0.02 -0.26 0.02 0.00 0.05 0.00 0.00 38.32 38.11 1mel h ASN 93 CO -0.05 1.02 -1.15 0.00 -1.65 0.00 0.00 177.43 175.59 1mel h ALA 95 N 0.36 2.06 -0.17 0.00 0.00 -0.56 -0.10 119.26 120.84 1mel h ALA 95 Ca -0.16 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1mel h ALA 95 Cb 1.82 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1mel h ALA 95 CO 0.22 -0.18 -0.45 0.87 0.00 0.00 0.00 179.25 179.71 1mel h LYS 96 N 0.00 0.61 -0.40 0.00 1.57 -1.46 -2.37 116.57 114.52 1mel h LYS 96 Ca 0.07 -0.43 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1mel h LYS 96 Cb 0.29 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1mel h LYS 96 CO -0.00 1.04 0.18 -0.22 -0.57 0.00 0.00 179.45 179.89 1mel h LYS 97 N 0.27 0.58 -0.14 3.15 3.64 -1.06 0.65 116.57 123.68 1mel h LYS 97 Ca -0.01 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1mel h LYS 97 Cb 1.07 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 1mel h LYS 97 CO 0.10 0.52 -0.20 0.82 -2.27 0.00 0.00 179.45 178.42 1mel h ILE 98 N 0.51 0.50 -0.48 2.00 2.04 -1.27 0.22 117.51 121.02 1mel h ILE 98 Ca 0.14 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.94 1mel h ILE 98 Cb 0.14 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1mel h ILE 98 CO -0.02 0.00 0.07 0.58 0.00 0.00 0.00 178.15 178.79 1mel h VAL 99 N -0.25 1.25 0.00 1.67 2.07 -0.92 -2.91 116.25 117.16 1mel h VAL 99 Ca 0.10 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1mel h VAL 99 Cb 0.40 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1mel h VAL 99 CO -0.28 0.33 0.00 0.77 0.02 0.00 0.00 177.57 178.41 1mel h SER 100 N 0.67 0.00 0.00 0.57 4.64 0.66 -2.89 113.55 117.20 1mel h SER 100 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1mel h SER 100 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1mel h SER 100 CO 0.01 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.30 1mel n ASP 101 N -2.62 0.00 0.00 4.97 -0.08 0.03 -4.85 116.55 114.01 1mel n ASP 101 Ca 0.03 -1.30 0.00 0.00 -1.51 0.00 0.00 54.79 52.01 1mel n ASP 101 Cb 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 1mel n ASP 101 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1mel n GLY 102 N 0.56 0.79 0.30 0.27 0.00 -1.09 -4.93 105.19 101.09 1mel n GLY 102 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 1mel n GLY 102 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1mel h ASN 103 N 0.00 1.05 -3.80 1.61 2.35 -1.69 -3.49 115.58 111.61 1mel h ASN 103 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1mel h ASN 103 Cb 0.00 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.09 1mel h ASN 103 CO 0.00 1.11 0.00 0.61 -1.65 0.00 0.00 177.43 177.50 1mel n GLY 104 N -0.39 -1.96 0.48 2.83 0.00 -1.24 -4.06 105.19 100.85 1mel n GLY 104 Ca 0.03 -1.57 0.09 0.00 0.00 0.00 0.00 46.02 44.57 1mel n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1mel n MET 105 N 0.00 1.63 0.22 1.61 2.81 -1.26 -3.18 117.12 118.95 1mel n MET 105 Ca 0.00 -0.95 0.09 0.00 -1.81 0.00 0.00 57.70 55.03 1mel n MET 105 Cb 0.00 -1.35 0.50 0.00 -0.71 0.00 0.00 33.22 31.66 1mel n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1mel h ASN 106 N 1.84 0.00 -0.24 7.83 2.35 -1.99 -2.60 115.58 122.77 1mel h ASN 106 Ca 0.00 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1mel h ASN 106 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1mel h ASN 106 CO 0.00 0.24 0.44 0.00 -1.65 0.00 0.00 177.43 176.46 1mel h ALA 107 N 1.76 1.81 -2.78 -0.83 0.00 -1.73 -3.34 119.26 114.15 1mel h ALA 107 Ca -0.00 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.22 1mel h ALA 107 Cb 0.66 0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.27 1mel h ALA 107 CO 0.03 -0.56 -0.51 -1.58 0.00 0.00 0.00 179.25 176.63 1mel s TRP 108 N -4.37 3.21 0.16 0.00 0.51 -0.98 -4.94 118.94 112.53 1mel s TRP 108 Ca -0.04 -0.32 -0.14 0.00 -2.12 0.00 0.00 56.10 53.49 1mel s TRP 108 Cb 0.12 -2.43 0.04 0.00 -0.81 0.00 0.00 33.47 30.39 1mel s TRP 108 CO 0.41 -0.38 1.72 0.28 -0.51 0.00 0.00 176.95 178.46 1mel h VAL 109 N 5.55 1.21 -0.51 4.03 2.07 -1.86 -1.38 116.25 125.36 1mel h VAL 109 Ca -0.32 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1mel h VAL 109 Cb 1.15 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1mel h VAL 109 CO 0.62 0.25 0.12 0.00 0.02 0.00 0.00 177.57 178.58 1mel h ALA 110 N 1.06 1.25 0.37 1.67 0.00 -1.92 -1.31 119.26 120.38 1mel h ALA 110 Ca 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1mel h ALA 110 Cb 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1mel h ALA 110 CO -0.02 0.52 -0.18 2.35 0.00 0.00 0.00 179.25 181.93 1mel h TRP 111 N 0.75 -0.46 -0.22 0.00 7.01 -1.75 0.29 115.95 121.57 1mel h TRP 111 Ca 0.17 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.22 1mel h TRP 111 Cb 0.29 0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.49 1mel h TRP 111 CO 0.02 -0.14 0.26 -0.09 -2.79 0.00 0.00 178.44 175.70 1mel h ARG 112 N -0.80 0.00 0.04 2.65 2.43 -1.14 0.20 114.38 117.76 1mel h ARG 112 Ca -0.05 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.74 1mel h ARG 112 Cb 0.53 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.02 1mel h ARG 112 CO 0.08 0.00 -2.24 0.09 -1.51 0.00 0.00 179.97 176.39 1mel n ASN 113 N -3.71 2.01 -0.46 -3.80 4.13 -0.50 -4.46 115.26 108.47 1mel n ASN 113 Ca 0.03 0.09 0.05 0.00 1.68 0.00 0.00 54.58 56.42 1mel n ASN 113 Cb 0.39 -0.66 0.08 0.00 -1.54 0.00 0.00 39.78 38.05 1mel n ASN 113 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1mel n ARG 114 N -3.59 1.53 0.00 3.52 5.12 0.10 -4.82 116.66 118.52 1mel n ARG 114 Ca -0.42 -1.49 0.00 0.00 -1.93 0.00 0.00 57.85 54.01 1mel n ARG 114 Cb 0.96 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 31.06 1mel n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1mel n LYS 116 N -1.61 1.58 -2.24 0.00 4.81 -0.23 -1.69 118.16 118.78 1mel n LYS 116 Ca 0.00 0.57 -0.15 0.00 -0.87 0.00 0.00 58.31 57.86 1mel n LYS 116 Cb 0.10 -2.27 -0.01 0.00 0.02 0.00 0.00 35.03 32.87 1mel n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mel n GLY 117 N 3.04 -0.16 3.61 3.14 0.00 -1.26 -4.96 105.19 108.59 1mel n GLY 117 Ca 0.18 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 1mel n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1mel s THR 118 N -2.74 1.77 -1.27 2.61 -1.32 -0.68 -5.04 115.64 108.97 1mel s THR 118 Ca 0.00 -2.00 -0.17 0.00 -1.21 0.00 0.00 61.69 58.31 1mel s THR 118 Cb 0.00 -2.86 0.10 0.00 -1.51 0.00 0.00 72.50 68.22 1mel s THR 118 CO 0.00 0.00 1.65 -0.62 -2.21 0.00 0.00 174.62 173.44 1mel s ASP 119 N -3.70 6.89 0.53 8.08 2.15 -1.26 -4.79 116.67 124.57 1mel s ASP 119 Ca 0.32 -2.56 0.22 0.00 0.43 0.00 0.00 52.55 50.95 1mel s ASP 119 Cb 0.09 -2.53 1.43 0.00 -0.30 0.00 0.00 42.92 41.61 1mel s ASP 119 CO 0.16 -1.07 2.15 -0.37 -0.17 0.00 0.00 175.17 175.87 1mel h VAL 120 N 5.37 0.81 0.00 1.11 -1.51 -1.90 -2.08 116.25 118.05 1mel h VAL 120 Ca 0.41 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.70 1mel h VAL 120 Cb 0.88 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 1mel h VAL 120 CO 1.40 0.05 0.00 0.00 -1.23 0.00 0.00 177.57 177.79 1mel n GLN 121 N -4.16 0.04 0.25 5.19 1.13 -1.26 -0.93 117.38 117.64 1mel n GLN 121 Ca -0.03 0.29 0.11 0.00 -1.94 0.00 0.00 57.00 55.43 1mel n GLN 121 Cb 0.13 -1.50 0.67 0.00 0.11 0.00 0.00 30.24 29.65 1mel n GLN 121 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1mel h ALA 122 N 2.38 1.33 0.00 -1.58 0.00 -1.76 -1.83 119.26 117.80 1mel h ALA 122 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1mel h ALA 122 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1mel h ALA 122 CO 0.00 0.18 0.00 -1.49 0.00 0.00 0.00 179.25 177.94 1mel h TRP 123 N 0.00 0.00 0.00 0.00 4.06 -1.24 -3.28 115.95 115.49 1mel h TRP 123 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1mel h TRP 123 Cb 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 1mel h TRP 123 CO 0.00 0.00 -0.03 0.44 -3.56 0.00 0.00 178.44 175.29 1mel n ILE 124 N -2.31 0.00 -2.18 1.49 -5.35 -0.81 -4.82 119.36 105.39 1mel n ILE 124 Ca 0.04 -0.49 -0.42 0.00 -0.27 0.00 0.00 62.75 61.61 1mel n ILE 124 Cb 0.35 0.99 -0.03 0.00 -1.74 0.00 0.00 39.64 39.21 1mel n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mel s ARG 125 N -1.02 4.25 0.00 6.28 1.70 -0.75 -3.16 118.95 126.24 1mel s ARG 125 Ca 0.00 2.01 0.00 0.00 -0.47 0.00 0.00 55.73 57.27 1mel s ARG 125 Cb 0.00 -3.68 0.00 0.00 -0.57 0.00 0.00 34.95 30.70 1mel s ARG 125 CO 0.00 -0.66 0.00 0.41 -1.08 0.00 0.00 175.30 173.97 1mel n GLY 126 N 3.77 1.25 0.07 3.88 0.00 -1.26 -5.02 105.19 107.88 1mel n GLY 126 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 1mel n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32