#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dml s SER 2 N 0.00 3.96 -0.37 1.61 1.04 -1.26 -5.12 113.70 113.57 2dml s SER 2 Ca 0.00 -1.06 0.01 0.00 0.48 0.00 0.00 55.95 55.38 2dml s SER 2 Cb 0.00 -0.45 0.12 0.00 0.10 0.00 0.00 66.02 65.78 2dml s SER 2 CO 0.00 -0.19 0.16 -0.55 0.98 0.00 0.00 173.24 173.64 2dml s SER 3 N -3.65 3.91 0.00 7.02 0.15 -1.26 -5.07 113.70 114.80 2dml s SER 3 Ca 0.33 -2.13 0.00 0.00 0.70 0.00 0.00 55.95 54.86 2dml s SER 3 Cb 0.00 -0.99 0.00 0.00 -1.71 0.00 0.00 66.02 63.32 2dml s SER 3 CO 0.18 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2dml n GLY 4 N 4.21 4.95 3.74 9.45 0.00 -1.26 -4.97 105.19 121.32 2dml n GLY 4 Ca 0.03 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 2dml n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dml n SER 5 N 0.00 -4.28 -4.67 1.61 2.88 -1.26 -4.86 113.62 103.03 2dml n SER 5 Ca 0.00 -0.71 -0.42 0.00 -1.33 0.00 0.00 58.87 56.41 2dml n SER 5 Cb 0.00 -4.36 -0.03 0.00 -0.75 0.00 0.00 64.21 59.07 2dml n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dml n SER 6 N -2.96 4.10 -3.98 -3.46 3.41 -1.26 -4.97 113.62 104.50 2dml n SER 6 Ca -0.07 0.94 -0.29 0.00 -0.26 0.00 0.00 58.87 59.19 2dml n SER 6 Cb 0.58 -1.53 -0.17 0.00 -0.26 0.00 0.00 64.21 62.83 2dml n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dml s GLY 7 N 3.74 1.05 -0.04 5.00 0.00 -1.26 -5.11 107.32 110.69 2dml s GLY 7 Ca 0.86 -0.84 -0.01 0.00 0.00 0.00 0.00 44.72 44.74 2dml s GLY 7 CO 0.40 0.66 0.02 0.00 0.00 0.00 0.00 173.10 174.18 2dml s ALA 8 N 1.55 0.35 -0.15 3.20 0.00 -1.26 -5.04 121.76 120.41 2dml s ALA 8 Ca 0.04 0.12 -0.28 0.00 0.00 0.00 0.00 51.96 51.84 2dml s ALA 8 Cb -0.13 -0.50 -0.25 0.00 0.00 0.00 0.00 23.12 22.23 2dml s ALA 8 CO -0.10 -0.30 0.71 0.28 0.00 0.00 0.00 175.76 176.35 2dml h VAL 9 N 6.33 1.69 -1.59 0.00 2.07 -2.03 -3.46 116.25 119.25 2dml h VAL 9 Ca -0.28 -2.33 -0.66 0.00 0.82 0.00 0.00 66.70 64.25 2dml h VAL 9 Cb 1.13 3.26 0.10 0.00 -1.52 0.00 0.00 31.29 34.25 2dml h VAL 9 CO 0.32 0.58 -0.14 -1.20 0.02 0.00 0.00 177.57 177.15 2dml n SER 10 N -4.58 0.07 0.00 0.57 7.64 -1.26 -4.90 113.62 111.16 2dml n SER 10 Ca -0.13 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.90 2dml n SER 10 Cb 0.51 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 2dml n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dml n GLY 11 N 1.73 0.78 0.33 0.23 0.00 -1.26 -5.01 105.19 101.98 2dml n GLY 11 Ca 0.15 0.38 0.14 0.00 0.00 0.00 0.00 46.02 46.69 2dml n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dml h LEU 12 N 0.00 -0.37-10.15 0.99 3.38 -1.97 -3.39 115.31 103.80 2dml h LEU 12 Ca 0.00 0.26 -0.47 0.00 0.09 0.00 0.00 57.88 57.76 2dml h LEU 12 Cb 0.00 0.43 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2dml h LEU 12 CO 0.00 -0.31 0.34 -0.31 0.09 0.00 0.00 178.44 178.25 2dml s TYR 13 N -5.99 3.42 0.25 1.13 1.51 -1.26 -5.08 117.35 111.32 2dml s TYR 13 Ca -0.13 1.46 0.00 0.00 -1.01 0.00 0.00 57.07 57.40 2dml s TYR 13 Cb 0.28 -2.77 -0.00 0.00 -0.11 0.00 0.00 41.96 39.36 2dml s TYR 13 CO 0.77 -0.28 0.01 0.43 -1.11 0.00 0.00 175.55 175.38 2dml n SER 14 N -1.30 2.48 0.00 2.29 7.64 -1.26 -5.08 113.62 118.38 2dml n SER 14 Ca 0.06 -2.11 -0.10 0.00 1.01 0.00 0.00 58.87 57.73 2dml n SER 14 Cb 0.54 0.23 -0.08 0.00 -1.01 0.00 0.00 64.21 63.89 2dml n SER 14 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dml h SER 15 N 0.64 -0.10 -0.73 6.43 4.64 -1.97 -3.31 113.55 119.15 2dml h SER 15 Ca -0.20 -0.47 0.22 0.00 -0.47 0.00 0.00 61.79 60.87 2dml h SER 15 Cb 0.64 0.03 -0.14 0.00 -0.31 0.00 0.00 62.40 62.61 2dml h SER 15 CO 0.34 0.56 0.08 -0.24 -0.87 0.00 0.00 176.83 176.70 2dml n SER 16 N -4.81 -0.03 -3.16 4.97 2.88 -1.26 -4.36 113.62 107.85 2dml n SER 16 Ca -0.07 1.24 -0.14 0.00 -1.33 0.00 0.00 58.87 58.57 2dml n SER 16 Cb 0.28 -0.48 0.14 0.00 -0.75 0.00 0.00 64.21 63.39 2dml n SER 16 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2dml n ASP 17 N -4.95 -2.88 -1.07 -3.46 8.00 -1.25 -4.93 116.55 106.02 2dml n ASP 17 Ca 0.19 -0.40 -0.00 0.00 0.71 0.00 0.00 54.79 55.29 2dml n ASP 17 Cb 0.63 -0.49 0.22 0.00 -0.02 0.00 0.00 41.12 41.45 2dml n ASP 17 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2dml n ASP 18 N -3.64 2.96 -4.68 -2.24 9.92 -1.26 -4.99 116.55 112.62 2dml n ASP 18 Ca 0.06 -3.51 -0.35 0.00 -0.53 0.00 0.00 54.79 50.47 2dml n ASP 18 Cb 0.28 -0.61 -0.09 0.00 -0.64 0.00 0.00 41.12 40.06 2dml n ASP 18 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2dml s VAL 19 N -3.10 4.65 -0.27 2.53 1.01 -1.26 -4.38 120.40 119.58 2dml s VAL 19 Ca 0.44 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.13 2dml s VAL 19 Cb 0.38 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 2dml s VAL 19 CO 0.03 0.54 0.57 -0.63 0.00 0.00 0.00 175.10 175.61 2dml s ILE 20 N -0.29 5.02 -0.63 2.22 1.01 -1.08 -4.88 121.20 122.57 2dml s ILE 20 Ca 0.08 0.91 -0.26 0.00 0.00 0.00 0.00 60.65 61.38 2dml s ILE 20 Cb -0.12 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 2dml s ILE 20 CO 0.02 0.01 2.05 -0.70 0.00 0.00 0.00 174.94 176.31 2dml s GLU 21 N 2.43 2.42 0.06 2.79 2.56 -1.26 -1.90 118.70 125.79 2dml s GLU 21 Ca 0.23 0.70 -0.28 0.00 0.00 0.00 0.00 54.97 55.62 2dml s GLU 21 Cb -0.15 -4.55 -0.05 0.00 2.00 0.00 0.00 34.13 31.38 2dml s GLU 21 CO 0.10 -3.06 0.89 -0.51 -0.56 0.00 0.00 175.26 172.12 2dml s LEU 22 N 10.36 4.45 0.15 2.70 1.43 -0.64 -4.92 118.68 132.21 2dml s LEU 22 Ca 0.77 1.63 0.03 0.00 -1.03 0.00 0.00 54.13 55.53 2dml s LEU 22 Cb -0.13 -3.45 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 2dml s LEU 22 CO 0.19 -0.08 -0.06 0.42 0.23 0.00 0.00 176.35 177.05 2dml s THR 23 N 0.23 0.91 -1.16 5.49 -4.23 -1.26 -4.40 115.64 111.21 2dml s THR 23 Ca 0.45 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 2dml s THR 23 Cb -0.22 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.71 2dml s THR 23 CO 0.27 -0.68 0.28 -0.81 -0.54 0.00 0.00 174.62 173.14 2dml n PRO 24 N -0.19 0.49 0.00 3.99 -0.04 -1.26 0.49 135.00 138.47 2dml n PRO 24 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2dml n PRO 24 Cb 0.62 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 2dml n PRO 24 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dml n SER 25 N 0.14 4.24 0.00 3.54 7.64 -1.26 -4.79 113.62 123.12 2dml n SER 25 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dml n SER 25 Cb 0.10 0.76 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 2dml n SER 25 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2dml n ASN 26 N -1.37 2.37 -0.63 6.43 6.94 -0.82 -4.74 115.26 123.44 2dml n ASN 26 Ca 0.00 -0.11 0.49 0.00 -0.02 0.00 0.00 54.58 54.93 2dml n ASN 26 Cb 0.09 0.70 0.75 0.00 -2.36 0.00 0.00 39.78 38.95 2dml n ASN 26 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2dml n PHE 27 N -0.94 0.00 -0.02 -2.53 -0.00 0.18 0.15 117.46 114.30 2dml n PHE 27 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.24 2dml n PHE 27 Cb 0.00 -0.45 -0.13 0.00 -0.00 0.00 0.00 39.48 38.90 2dml n PHE 27 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.76 175.79 2dml h ASN 28 N 0.00 0.27 0.49 -2.13 -1.24 -1.85 -1.50 115.58 109.61 2dml h ASN 28 Ca 0.86 -0.80 0.00 0.00 0.71 0.00 0.00 56.30 57.06 2dml h ASN 28 Cb 3.57 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 42.53 2dml h ASN 28 CO -0.01 1.54 0.00 0.54 -1.29 0.00 0.00 177.43 178.21 2dml n ARG 29 N -4.08 0.36 -0.09 6.67 3.00 0.32 0.24 116.66 123.09 2dml n ARG 29 Ca -0.25 0.04 -0.19 0.00 -0.01 0.00 0.00 57.85 57.44 2dml n ARG 29 Cb 0.82 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 31.71 2dml n ARG 29 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2dml n GLU 30 N -1.29 0.38 -0.05 5.56 -0.58 0.40 -4.56 120.64 120.50 2dml n GLU 30 Ca 0.12 0.16 -0.05 0.00 -0.42 0.00 0.00 57.16 56.97 2dml n GLU 30 Cb 0.21 -1.15 -0.02 0.00 -0.57 0.00 0.00 31.44 29.90 2dml n GLU 30 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2dml n VAL 31 N -3.75 0.84 -0.27 2.62 0.31 -0.59 -4.11 118.33 113.39 2dml n VAL 31 Ca -0.35 0.30 0.28 0.00 -0.01 0.00 0.00 64.34 64.55 2dml n VAL 31 Cb 0.76 -1.98 0.64 0.00 -0.91 0.00 0.00 33.84 32.35 2dml n VAL 31 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2dml h ILE 32 N -0.56 0.52 -0.90 2.52 1.08 -1.13 0.67 117.51 119.70 2dml h ILE 32 Ca 0.00 -0.06 -0.47 0.00 -0.39 0.00 0.00 64.86 63.95 2dml h ILE 32 Cb 0.56 0.34 -0.28 0.00 -3.07 0.00 0.00 36.82 34.37 2dml h ILE 32 CO 0.00 0.03 0.59 0.00 -0.69 0.00 0.00 178.15 178.08 2dml n GLN 33 N -4.37 2.12 -3.80 2.37 1.13 0.66 -4.80 117.38 110.70 2dml n GLN 33 Ca 0.23 -2.71 -0.29 0.00 -1.94 0.00 0.00 57.00 52.28 2dml n GLN 33 Cb 0.99 -2.06 -0.16 0.00 0.11 0.00 0.00 30.24 29.12 2dml n GLN 33 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2dml s SER 34 N -1.07 3.75 0.47 1.08 0.15 0.23 -4.81 113.70 113.50 2dml s SER 34 Ca 0.51 -1.36 0.19 0.00 0.70 0.00 0.00 55.95 55.99 2dml s SER 34 Cb 0.43 -0.91 1.18 0.00 -1.71 0.00 0.00 66.02 65.01 2dml s SER 34 CO 0.10 -0.35 1.97 -0.78 1.20 0.00 0.00 173.24 175.38 2dml h ASP 35 N 8.07 0.23 -2.89 5.45 1.82 -1.87 -3.42 116.42 123.81 2dml h ASP 35 Ca -0.15 0.01 -0.30 0.00 -0.39 0.00 0.00 57.03 56.20 2dml h ASP 35 Cb 1.05 -0.04 0.15 0.00 0.68 0.00 0.00 39.33 41.18 2dml h ASP 35 CO 0.43 0.13 0.06 0.61 -1.61 0.00 0.00 179.24 178.86 2dml n GLY 36 N -1.57 -2.85 3.80 -0.78 0.00 -1.26 -4.99 105.19 97.55 2dml n GLY 36 Ca 0.11 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 2dml n GLY 36 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dml s LEU 37 N 0.00 4.33 -0.06 0.99 2.96 -1.26 -4.76 118.68 120.88 2dml s LEU 37 Ca 0.54 1.58 0.02 0.00 -0.22 0.00 0.00 54.13 56.05 2dml s LEU 37 Cb -0.06 -3.77 0.02 0.00 0.50 0.00 0.00 46.19 42.87 2dml s LEU 37 CO 0.42 -0.02 -0.09 0.26 -1.32 0.00 0.00 176.35 175.61 2dml s TRP 38 N -1.58 1.16 -0.42 5.38 0.52 -0.39 -1.56 118.94 122.05 2dml s TRP 38 Ca 0.46 -0.40 -0.05 0.00 0.02 0.00 0.00 56.10 56.13 2dml s TRP 38 Cb -0.17 -0.90 0.11 0.00 -1.15 0.00 0.00 33.47 31.35 2dml s TRP 38 CO 0.22 -0.25 0.24 -0.51 0.02 0.00 0.00 176.95 176.67 2dml s LEU 39 N 0.80 5.31 -0.28 2.99 1.43 0.12 0.00 118.68 129.05 2dml s LEU 39 Ca -0.13 -1.92 -0.10 0.00 -1.03 0.00 0.00 54.13 50.95 2dml s LEU 39 Cb -0.15 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 2dml s LEU 39 CO 0.02 -0.57 0.16 -0.69 0.23 0.00 0.00 176.35 175.49 2dml s VAL 40 N 1.23 4.97 -0.30 -1.59 1.01 -0.81 -1.09 120.40 123.82 2dml s VAL 40 Ca 0.07 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 2dml s VAL 40 Cb -0.24 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.80 2dml s VAL 40 CO -0.03 0.25 0.04 -0.70 0.00 0.00 0.00 175.10 174.67 2dml s GLU 41 N 1.71 2.71 -0.57 2.72 2.12 -1.26 -0.77 118.70 125.36 2dml s GLU 41 Ca 0.07 -1.10 -0.28 0.00 0.36 0.00 0.00 54.97 54.02 2dml s GLU 41 Cb -0.16 -3.29 0.01 0.00 0.26 0.00 0.00 34.13 30.95 2dml s GLU 41 CO 0.08 -0.56 1.45 -0.06 -0.54 0.00 0.00 175.26 175.63 2dml s PHE 42 N 1.37 2.23 0.48 5.30 0.40 0.13 -3.04 117.98 124.84 2dml s PHE 42 Ca -0.01 0.46 0.07 0.00 -0.60 0.00 0.00 56.93 56.84 2dml s PHE 42 Cb -0.19 -4.38 0.00 0.00 0.51 0.00 0.00 43.02 38.97 2dml s PHE 42 CO 0.01 -2.03 0.37 1.52 0.70 0.00 0.00 175.22 175.79 2dml s TYR 43 N 6.27 2.18 -0.07 0.36 -0.85 -0.84 -1.79 117.35 122.62 2dml s TYR 43 Ca 0.53 -0.67 -0.01 0.00 -0.52 0.00 0.00 57.07 56.40 2dml s TYR 43 Cb -0.11 -2.03 0.03 0.00 0.38 0.00 0.00 41.96 40.23 2dml s TYR 43 CO 0.24 -0.26 -0.00 0.00 -1.52 0.00 0.00 175.55 174.01 2dml s ALA 44 N -2.63 0.67 -2.00 9.51 0.00 -1.26 -0.59 121.76 125.46 2dml s ALA 44 Ca 0.41 -0.10 0.09 0.00 0.00 0.00 0.00 51.96 52.36 2dml s ALA 44 Cb -0.02 -0.69 0.52 0.00 0.00 0.00 0.00 23.12 22.93 2dml s ALA 44 CO 0.25 -0.39 0.96 -0.35 0.00 0.00 0.00 175.76 176.22 2dml n PRO 45 N 4.98 0.49 -0.01 0.00 -0.04 -1.26 -2.09 135.00 137.07 2dml n PRO 45 Ca -0.10 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.38 2dml n PRO 45 Cb 0.50 -1.28 -0.05 0.00 -0.04 0.00 0.00 33.50 32.63 2dml n PRO 45 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2dml n TRP 46 N -0.78 0.00 -1.87 0.54 4.27 -1.26 -5.01 117.44 113.33 2dml n TRP 46 Ca 0.06 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.38 2dml n TRP 46 Cb 0.03 -0.19 0.13 0.00 -1.36 0.00 0.00 31.31 29.92 2dml n TRP 46 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2dml n GLY 48 N -3.35 -0.44 0.50 0.00 0.00 -1.26 -3.78 105.19 96.86 2dml n GLY 48 Ca 0.10 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.41 2dml n GLY 48 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2dml h HIS 49 N 0.00 0.00 0.03 1.61 -0.00 -1.95 0.35 115.15 115.18 2dml h HIS 49 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2dml h HIS 49 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2dml h HIS 49 CO 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 177.93 177.92 2dml h GLN 51 N -0.70 0.00 -0.01 0.00 4.20 -0.43 0.11 115.11 118.27 2dml h GLN 51 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2dml h GLN 51 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 2dml h GLN 51 CO 0.01 0.00 -0.53 0.54 -0.67 0.00 0.00 178.83 178.17 2dml n ARG 52 N -2.41 0.82 -0.26 1.46 1.74 -0.83 -3.99 116.66 113.20 2dml n ARG 52 Ca -0.01 -0.63 0.11 0.00 -0.77 0.00 0.00 57.85 56.55 2dml n ARG 52 Cb 0.08 -1.49 0.27 0.00 -1.02 0.00 0.00 32.46 30.31 2dml n ARG 52 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2dml n LEU 53 N -0.54 3.36 0.08 0.55 7.94 0.37 -4.41 117.00 124.35 2dml n LEU 53 Ca 0.09 -1.57 -0.13 0.00 -1.11 0.00 0.00 56.01 53.29 2dml n LEU 53 Cb 0.41 -0.34 -0.08 0.00 0.53 0.00 0.00 43.42 43.94 2dml n LEU 53 CO 0.31 0.78 0.69 0.74 -1.11 0.00 0.00 177.39 178.80 2dml h THR 54 N 3.99 0.98 -0.30 1.96 2.02 -1.69 -1.06 112.91 118.82 2dml h THR 54 Ca 0.00 -0.52 -0.15 0.00 0.77 0.00 0.00 66.41 66.51 2dml h THR 54 Cb 0.90 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 2dml h THR 54 CO 0.00 0.12 -0.41 1.55 0.37 0.00 0.00 175.52 177.16 2dml h PRO 55 N -0.44 0.72 -0.23 6.66 0.13 -1.88 -0.71 132.00 136.26 2dml h PRO 55 Ca -0.02 -0.38 -0.09 0.00 -0.87 0.00 0.00 66.00 64.64 2dml h PRO 55 Cb 0.35 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 2dml h PRO 55 CO 0.03 1.00 -0.24 0.93 -0.23 0.00 0.00 178.00 179.49 2dml h GLU 56 N 0.59 0.44 0.26 0.86 4.39 -1.78 -2.25 114.58 117.09 2dml h GLU 56 Ca 0.05 -0.16 -0.34 0.00 0.34 0.00 0.00 59.36 59.25 2dml h GLU 56 Cb 0.95 -0.03 0.04 0.00 -0.10 0.00 0.00 28.75 29.61 2dml h GLU 56 CO 0.09 0.65 -1.47 2.35 -1.16 0.00 0.00 179.01 179.47 2dml h TRP 57 N 0.39 0.98 0.01 4.33 -0.00 -1.10 -1.93 115.95 118.62 2dml h TRP 57 Ca 0.06 -0.72 0.01 0.00 -0.00 0.00 0.00 58.89 58.25 2dml h TRP 57 Cb 0.64 -0.04 -0.02 0.00 -0.00 0.00 0.00 29.16 29.74 2dml h TRP 57 CO 0.02 1.56 -0.07 0.87 -0.00 0.00 0.00 178.44 180.82 2dml h LYS 58 N 0.13 -0.12 -0.61 2.65 1.57 -1.04 -2.21 116.57 116.94 2dml h LYS 58 Ca -0.26 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.63 2dml h LYS 58 Cb 2.16 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 34.39 2dml h LYS 58 CO 0.27 -0.08 -0.37 0.87 -0.57 0.00 0.00 179.45 179.58 2dml h LYS 59 N -0.13 -0.16 -0.97 3.15 1.57 -1.53 0.29 116.57 118.78 2dml h LYS 59 Ca 0.03 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 2dml h LYS 59 Cb 0.16 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 2dml h LYS 59 CO -0.07 -0.11 0.63 0.00 -0.57 0.00 0.00 179.45 179.33 2dml h ALA 60 N 0.91 1.45 -0.50 3.86 0.00 -1.61 -1.35 119.26 122.03 2dml h ALA 60 Ca 0.22 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2dml h ALA 60 Cb 0.56 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2dml h ALA 60 CO -0.70 0.40 0.11 0.00 0.00 0.00 0.00 179.25 179.06 2dml h ALA 61 N 1.48 1.26 -0.02 0.00 0.00 0.08 0.16 119.26 122.21 2dml h ALA 61 Ca 0.42 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2dml h ALA 61 Cb 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2dml h ALA 61 CO -0.17 0.51 0.01 1.15 0.00 0.00 0.00 179.25 180.75 2dml h THR 62 N 0.73 1.15 -0.15 0.00 2.02 0.24 0.60 112.91 117.50 2dml h THR 62 Ca 0.16 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 2dml h THR 62 Cb 0.29 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2dml h THR 62 CO 0.00 0.12 -0.15 0.00 0.37 0.00 0.00 175.52 175.86 2dml h ALA 63 N 0.82 0.22 -0.12 6.16 0.00 -1.32 -2.91 119.26 122.11 2dml h ALA 63 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2dml h ALA 63 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2dml h ALA 63 CO -0.00 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.64 2dml n LEU 64 N -4.55 0.70 -0.20 0.00 4.77 0.53 -4.21 117.00 114.05 2dml n LEU 64 Ca -0.06 -0.34 -0.01 0.00 -0.03 0.00 0.00 56.01 55.56 2dml n LEU 64 Cb 0.36 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.43 2dml n LEU 64 CO 0.39 0.17 0.75 0.50 -1.33 0.00 0.00 177.39 177.88 2dml h LYS 65 N 0.79 0.01 0.00 3.23 3.64 0.42 1.12 116.57 125.77 2dml h LYS 65 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2dml h LYS 65 Cb 0.18 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2dml h LYS 65 CO 0.00 0.00 -1.45 -0.25 -2.27 0.00 0.00 179.45 175.48 2dml n ASP 66 N -5.41 0.43 -0.04 4.20 8.00 -1.26 -4.54 116.55 117.93 2dml n ASP 66 Ca 0.07 -0.11 -0.01 0.00 0.71 0.00 0.00 54.79 55.45 2dml n ASP 66 Cb 0.32 1.29 -0.00 0.00 -0.02 0.00 0.00 41.12 42.70 2dml n ASP 66 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2dml h VAL 67 N 0.00 0.00 -3.23 2.53 2.07 -1.51 -3.47 116.25 112.64 2dml h VAL 67 Ca 0.00 -0.70 -0.51 0.00 0.82 0.00 0.00 66.70 66.31 2dml h VAL 67 Cb 0.87 0.00 -0.37 0.00 -1.52 0.00 0.00 31.29 30.28 2dml h VAL 67 CO 0.00 0.00 -0.80 -0.69 0.02 0.00 0.00 177.57 176.10 2dml s VAL 68 N -1.57 0.92 -0.46 2.57 1.01 0.38 -4.65 120.40 118.59 2dml s VAL 68 Ca -0.04 -0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.44 2dml s VAL 68 Cb 0.01 -0.94 -0.06 0.00 0.00 0.00 0.00 36.38 35.38 2dml s VAL 68 CO 0.06 0.34 2.34 -0.54 0.00 0.00 0.00 175.10 177.30 2dml s LYS 69 N 1.60 2.28 -0.58 2.72 -0.14 -0.60 -4.17 119.74 120.85 2dml s LYS 69 Ca 0.02 1.43 -0.19 0.00 -1.36 0.00 0.00 55.97 55.86 2dml s LYS 69 Cb -0.13 -4.54 0.09 0.00 -1.68 0.00 0.00 37.83 31.57 2dml s LYS 69 CO -0.06 -3.07 0.72 0.08 -0.76 0.00 0.00 175.35 172.26 2dml s VAL 70 N 11.42 4.76 0.00 3.17 1.01 -1.26 -0.70 120.40 138.79 2dml s VAL 70 Ca 0.95 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2dml s VAL 70 Cb -0.19 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 31.72 2dml s VAL 70 CO 0.27 -1.10 0.00 0.61 0.00 0.00 0.00 175.10 174.88 2dml n GLY 71 N 5.26 1.35 3.62 4.51 0.00 -0.25 -2.63 105.19 117.06 2dml n GLY 71 Ca -0.08 -1.99 -0.04 0.00 0.00 0.00 0.00 46.02 43.91 2dml n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dml s ALA 72 N -2.40 -2.10 -0.14 4.61 0.00 -0.80 -4.00 121.76 116.92 2dml s ALA 72 Ca 0.00 2.31 0.02 0.00 0.00 0.00 0.00 51.96 54.30 2dml s ALA 72 Cb 0.00 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.52 2dml s ALA 72 CO 0.00 -0.47 -0.21 0.08 0.00 0.00 0.00 175.76 175.16 2dml s VAL 73 N 1.73 1.99 -0.98 0.00 1.01 -1.17 -1.61 120.40 121.36 2dml s VAL 73 Ca -0.09 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 60.72 2dml s VAL 73 Cb -0.05 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2dml s VAL 73 CO -0.18 0.54 1.70 0.21 0.00 0.00 0.00 175.10 177.37 2dml s ASN 74 N 0.87 5.85 0.36 3.32 2.47 -1.26 -1.98 114.94 124.57 2dml s ASN 74 Ca -0.06 -1.14 0.19 0.00 0.42 0.00 0.00 52.86 52.27 2dml s ASN 74 Cb -0.15 -2.57 1.24 0.00 -1.45 0.00 0.00 41.25 38.32 2dml s ASN 74 CO -0.03 -2.10 1.62 0.00 -3.72 0.00 0.00 177.10 172.87 2dml h ALA 75 N 10.40 2.14 -0.53 1.71 0.00 -1.13 1.14 119.26 132.99 2dml h ALA 75 Ca 0.16 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 2dml h ALA 75 Cb 1.00 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2dml h ALA 75 CO 1.33 -0.83 0.29 0.22 0.00 0.00 0.00 179.25 180.26 2dml h ASP 76 N 0.16 0.65 0.00 0.00 3.58 -1.88 -0.89 116.42 118.04 2dml h ASP 76 Ca 0.79 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 58.15 2dml h ASP 76 Cb 2.02 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.90 2dml h ASP 76 CO -0.65 0.55 -0.23 0.50 -2.88 0.00 0.00 179.24 176.53 2dml h LYS 77 N 0.70 0.00 -1.88 0.28 3.64 0.12 -3.36 116.57 116.08 2dml h LYS 77 Ca 0.19 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 2dml h LYS 77 Cb 0.04 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 2dml h LYS 77 CO -0.03 0.11 0.07 0.72 -2.27 0.00 0.00 179.45 178.06 2dml n HIS 78 N -4.70 0.46 -0.32 1.91 8.25 0.33 -4.60 115.22 116.55 2dml n HIS 78 Ca -0.04 -1.35 0.28 0.00 -0.26 0.00 0.00 57.72 56.34 2dml n HIS 78 Cb 0.15 -0.79 0.52 0.00 1.12 0.00 0.00 29.99 30.99 2dml n HIS 78 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2dml h GLN 79 N 1.46 0.09 -0.32 -0.41 4.20 -1.31 0.56 115.11 119.38 2dml h GLN 79 Ca 0.12 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.87 2dml h GLN 79 Cb 1.03 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.74 2dml h GLN 79 CO 0.26 0.06 0.04 0.77 -0.67 0.00 0.00 178.83 179.29 2dml h SER 80 N 0.09 -0.04 0.57 1.46 0.02 -1.84 -0.60 113.55 113.21 2dml h SER 80 Ca 0.79 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.78 2dml h SER 80 Cb 1.97 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 64.59 2dml h SER 80 CO -0.74 0.02 -0.44 -0.07 -1.14 0.00 0.00 176.83 174.45 2dml h LEU 81 N 0.15 -1.17 0.04 5.07 3.38 -0.27 0.32 115.31 122.83 2dml h LEU 81 Ca 0.15 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.22 2dml h LEU 81 Cb 0.18 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 2dml h LEU 81 CO -0.22 -0.63 -0.45 1.23 0.09 0.00 0.00 178.44 178.46 2dml h GLY 82 N -0.98 -1.17 0.47 0.83 0.00 -1.36 -2.12 103.07 98.75 2dml h GLY 82 Ca -0.07 0.65 0.11 0.00 0.00 0.00 0.00 47.33 48.02 2dml h GLY 82 CO 0.02 -0.29 0.58 -1.33 0.00 0.00 0.00 176.54 175.52 2dml h GLY 83 N -0.60 1.53 1.27 4.60 0.00 -1.11 0.12 103.07 108.88 2dml h GLY 83 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2dml h GLY 83 CO -0.28 0.14 0.31 -1.61 0.00 0.00 0.00 176.54 175.10 2dml h GLN 84 N 0.92 0.00 0.00 4.80 4.15 0.35 -0.92 115.11 124.41 2dml h GLN 84 Ca 0.47 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.67 2dml h GLN 84 Cb 0.46 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.11 2dml h GLN 84 CO -0.27 0.00 -1.81 0.66 -1.93 0.00 0.00 178.83 175.49 2dml n TYR 85 N -2.42 0.00 0.00 3.99 4.02 0.25 -5.02 117.16 117.98 2dml n TYR 85 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2dml n TYR 85 Cb 0.34 -0.56 0.00 0.00 -0.02 0.00 0.00 39.34 39.11 2dml n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2dml n GLY 86 N 2.63 1.04 3.62 2.72 0.00 -0.27 -5.10 105.19 109.83 2dml n GLY 86 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 2dml n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dml s VAL 87 N -1.04 3.76 -0.04 1.61 1.01 -0.69 -4.81 120.40 120.20 2dml s VAL 87 Ca 0.00 0.85 0.04 0.00 0.00 0.00 0.00 61.98 62.87 2dml s VAL 87 Cb 0.00 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 2dml s VAL 87 CO 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 175.10 174.73 2dml n GLN 88 N 7.73 3.26 -3.81 2.72 10.64 -1.26 -4.32 117.38 132.33 2dml n GLN 88 Ca 0.18 -0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 55.17 2dml n GLN 88 Cb 0.46 -1.11 -0.17 0.00 -0.86 0.00 0.00 30.24 28.56 2dml n GLN 88 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2dml s GLY 89 N -3.54 0.23 0.28 2.61 0.00 -1.26 -5.15 107.32 100.49 2dml s GLY 89 Ca -0.02 0.17 0.06 0.00 0.00 0.00 0.00 44.72 44.93 2dml s GLY 89 CO 0.18 0.88 0.33 -1.36 0.00 0.00 0.00 173.10 173.13 2dml s PHE 90 N 1.43 3.20 0.55 1.90 0.08 -1.26 -4.16 117.98 119.71 2dml s PHE 90 Ca -0.04 -0.13 -0.19 0.00 0.12 0.00 0.00 56.93 56.68 2dml s PHE 90 Cb -0.13 -1.65 -0.06 0.00 -0.57 0.00 0.00 43.02 40.61 2dml s PHE 90 CO -0.03 0.32 1.13 -1.25 -0.10 0.00 0.00 175.22 175.29 2dml s PRO 91 N -3.99 3.35 -0.26 0.24 0.04 -1.26 -4.89 135.00 128.22 2dml s PRO 91 Ca 0.37 1.61 -0.01 0.00 0.04 0.00 0.00 61.00 63.01 2dml s PRO 91 Cb -0.08 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.53 2dml s PRO 91 CO 0.28 -0.85 0.06 0.99 0.04 0.00 0.00 177.00 177.51 2dml s THR 92 N -1.78 0.87 -0.00 1.26 2.01 -0.74 -4.98 115.64 112.28 2dml s THR 92 Ca 0.73 -1.12 -0.17 0.00 0.31 0.00 0.00 61.69 61.43 2dml s THR 92 Cb -0.24 -1.50 -0.06 0.00 0.01 0.00 0.00 72.50 70.72 2dml s THR 92 CO 0.27 -0.45 0.48 -0.63 -0.69 0.00 0.00 174.62 173.60 2dml s ILE 93 N 1.65 4.97 -0.01 1.82 1.01 -1.26 0.19 121.20 129.56 2dml s ILE 93 Ca 0.04 1.00 0.03 0.00 0.00 0.00 0.00 60.65 61.71 2dml s ILE 93 Cb -0.17 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 2dml s ILE 93 CO -0.17 0.51 -0.09 -0.54 0.00 0.00 0.00 174.94 174.66 2dml s LYS 94 N -0.71 0.80 -0.19 2.79 -0.14 0.06 -2.83 119.74 119.52 2dml s LYS 94 Ca 0.26 -0.30 -0.10 0.00 -1.36 0.00 0.00 55.97 54.47 2dml s LYS 94 Cb -0.17 -0.76 -0.05 0.00 -1.68 0.00 0.00 37.83 35.17 2dml s LYS 94 CO 0.15 0.15 0.15 0.42 -0.76 0.00 0.00 175.35 175.46 2dml s ILE 95 N -0.02 5.40 -0.17 2.17 1.01 -0.64 -1.92 121.20 127.04 2dml s ILE 95 Ca 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 2dml s ILE 95 Cb -0.06 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 2dml s ILE 95 CO -0.00 0.45 -0.10 -0.36 0.00 0.00 0.00 174.94 174.93 2dml s PHE 96 N 0.22 2.87 0.00 3.97 0.40 0.10 -0.68 117.98 124.87 2dml s PHE 96 Ca 0.10 -0.88 0.00 0.00 -0.60 0.00 0.00 56.93 55.54 2dml s PHE 96 Cb -0.11 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.45 2dml s PHE 96 CO -0.01 -0.42 0.00 0.41 0.70 0.00 0.00 175.22 175.90 2dml n GLY 97 N 4.19 -1.14 0.06 4.36 0.00 -1.26 -1.26 105.19 110.14 2dml n GLY 97 Ca -0.18 0.61 -0.02 0.00 0.00 0.00 0.00 46.02 46.43 2dml n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dml n ALA 98 N -3.00 -0.10 -3.88 4.61 0.00 -1.26 -3.64 120.51 113.25 2dml n ALA 98 Ca 0.00 0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 2dml n ALA 98 Cb 0.00 0.33 -0.13 0.00 0.00 0.00 0.00 19.45 19.65 2dml n ALA 98 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2dml s ASN 99 N -3.43 4.94 0.66 0.00 2.47 -1.26 -4.94 114.94 113.38 2dml s ASN 99 Ca -0.02 -2.34 0.29 0.00 0.42 0.00 0.00 52.86 51.21 2dml s ASN 99 Cb 0.02 -1.73 1.56 0.00 -1.45 0.00 0.00 41.25 39.64 2dml s ASN 99 CO 0.09 -0.41 1.88 0.11 -3.72 0.00 0.00 177.10 175.05 2dml h LYS 100 N 7.51 0.00 0.00 0.43 1.79 -1.95 0.57 116.57 124.92 2dml h LYS 100 Ca -0.07 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.20 2dml h LYS 100 Cb 1.00 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.62 2dml h LYS 100 CO 0.64 0.00 -0.97 -0.91 -1.08 0.00 0.00 179.45 177.12 2dml h ASN 101 N 0.00 0.00 -3.02 0.86 2.35 -1.93 -3.42 115.58 110.42 2dml h ASN 101 Ca 0.01 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.19 2dml h ASN 101 Cb 0.75 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.72 2dml h ASN 101 CO -0.00 0.88 -0.78 -0.54 -1.65 0.00 0.00 177.43 175.35 2dml s LYS 102 N -2.76 0.65 1.06 0.81 1.02 0.20 -5.12 119.74 115.60 2dml s LYS 102 Ca 0.01 -1.15 -0.14 0.00 0.02 0.00 0.00 55.97 54.71 2dml s LYS 102 Cb 0.09 -1.72 0.22 0.00 -0.52 0.00 0.00 37.83 35.90 2dml s LYS 102 CO 0.80 -1.07 1.10 -1.25 -0.92 0.00 0.00 175.35 174.02 2dml s PRO 103 N 1.42 -0.06 -0.09 -1.68 0.04 -1.23 -4.35 135.00 129.05 2dml s PRO 103 Ca 0.12 0.35 -0.03 0.00 0.04 0.00 0.00 61.00 61.49 2dml s PRO 103 Cb -0.19 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2dml s PRO 103 CO -0.19 -3.03 0.03 -1.21 0.04 0.00 0.00 177.00 172.64 2dml s GLU 104 N -5.07 3.06 0.17 4.56 2.02 0.15 -4.89 118.70 118.70 2dml s GLU 104 Ca 0.67 -0.36 -0.32 0.00 0.02 0.00 0.00 54.97 54.98 2dml s GLU 104 Cb -0.17 -2.86 -0.11 0.00 0.10 0.00 0.00 34.13 31.09 2dml s GLU 104 CO 0.57 0.72 1.78 -3.47 0.02 0.00 0.00 175.26 174.88 2dml n ASP 105 N 2.09 4.06 -4.54 -0.19 2.03 -1.26 -1.62 116.55 117.13 2dml n ASP 105 Ca -0.19 1.03 -0.42 0.00 0.52 0.00 0.00 54.79 55.73 2dml n ASP 105 Cb 0.54 -1.57 -0.03 0.00 -0.72 0.00 0.00 41.12 39.34 2dml n ASP 105 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2dml s TYR 106 N 1.88 2.62 -0.53 -0.67 6.14 -1.13 -4.88 117.35 120.79 2dml s TYR 106 Ca 0.78 0.04 0.02 0.00 0.64 0.00 0.00 57.07 58.55 2dml s TYR 106 Cb -0.49 -4.34 0.43 0.00 0.42 0.00 0.00 41.96 37.98 2dml s TYR 106 CO 0.34 -1.60 1.57 0.94 0.64 0.00 0.00 175.55 177.44 2dml n GLN 107 N 8.15 3.16 0.00 4.97 -0.06 -1.26 -4.82 117.38 127.52 2dml n GLN 107 Ca 0.03 -3.86 0.00 0.00 -2.00 0.00 0.00 57.00 51.18 2dml n GLN 107 Cb 0.48 -2.28 0.00 0.00 -4.06 0.00 0.00 30.24 24.38 2dml n GLN 107 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2dml n GLY 108 N -0.70 4.21 3.84 1.69 0.00 -1.26 -5.11 105.19 107.85 2dml n GLY 108 Ca 0.51 -1.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 2dml n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dml s GLY 109 N -0.35 2.39 -0.19 -0.02 0.00 -1.26 -4.98 107.32 102.92 2dml s GLY 109 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 44.72 44.37 2dml s GLY 109 CO 0.00 0.07 2.65 0.54 0.00 0.00 0.00 173.10 176.36 2dml n ARG 110 N 2.02 1.81 -4.68 2.90 1.74 -1.26 -3.33 116.66 115.86 2dml n ARG 110 Ca -0.15 -1.23 -0.25 0.00 -0.77 0.00 0.00 57.85 55.46 2dml n ARG 110 Cb 0.53 -1.71 -0.16 0.00 -1.02 0.00 0.00 32.46 30.10 2dml n ARG 110 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2dml s THR 111 N -0.82 1.22 0.35 0.55 -4.23 -1.26 -4.86 115.64 106.59 2dml s THR 111 Ca 0.41 -0.58 0.29 0.00 -1.18 0.00 0.00 61.69 60.63 2dml s THR 111 Cb 0.24 -1.08 0.44 0.00 1.34 0.00 0.00 72.50 73.45 2dml s THR 111 CO -0.05 0.36 1.11 0.61 -0.54 0.00 0.00 174.62 176.11 2dml n GLY 112 N 3.40 -0.65 0.16 3.99 0.00 -0.73 0.37 105.19 111.73 2dml n GLY 112 Ca -0.20 0.52 -0.05 0.00 0.00 0.00 0.00 46.02 46.29 2dml n GLY 112 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dml h GLU 113 N 0.00 -0.30 -0.38 1.61 5.08 -1.93 -3.10 114.58 115.56 2dml h GLU 113 Ca 0.65 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 59.11 2dml h GLU 113 Cb 2.35 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 31.59 2dml h GLU 113 CO -0.17 -0.17 -0.24 0.00 -1.00 0.00 0.00 179.01 177.44 2dml h ALA 114 N -1.03 -0.00 -0.66 3.43 0.00 -0.33 -1.18 119.26 119.49 2dml h ALA 114 Ca -0.03 0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.14 2dml h ALA 114 Cb 0.27 0.54 -0.11 0.00 0.00 0.00 0.00 17.79 18.49 2dml h ALA 114 CO 0.05 -0.62 0.02 0.82 0.00 0.00 0.00 179.25 179.53 2dml h ILE 115 N -0.18 0.46 -0.92 0.00 2.04 -1.19 0.18 117.51 117.91 2dml h ILE 115 Ca 0.18 -0.05 0.10 0.00 1.00 0.00 0.00 64.86 66.10 2dml h ILE 115 Cb 0.46 0.32 -0.08 0.00 -0.74 0.00 0.00 36.82 36.78 2dml h ILE 115 CO -0.48 0.02 0.55 0.58 0.00 0.00 0.00 178.15 178.82 2dml h VAL 116 N 0.13 0.93 -0.12 1.67 2.07 -1.15 0.51 116.25 120.29 2dml h VAL 116 Ca 0.35 -0.31 -0.17 0.00 0.82 0.00 0.00 66.70 67.39 2dml h VAL 116 Cb 0.59 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2dml h VAL 116 CO -0.56 0.17 -0.64 -0.78 0.02 0.00 0.00 177.57 175.78 2dml h ASP 117 N 0.91 0.51 -0.17 0.57 3.58 -0.36 -2.89 116.42 118.57 2dml h ASP 117 Ca 0.44 -0.30 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 2dml h ASP 117 Cb 0.40 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2dml h ASP 117 CO -0.25 1.02 0.01 0.00 -2.88 0.00 0.00 179.24 177.14 2dml h ALA 118 N 0.98 0.23 -0.57 -0.78 0.00 0.48 -0.96 119.26 118.64 2dml h ALA 118 Ca -0.01 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2dml h ALA 118 Cb 1.19 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2dml h ALA 118 CO 0.11 -0.08 0.33 0.00 0.00 0.00 0.00 179.25 179.61 2dml h ALA 119 N 0.80 0.74 0.44 0.00 0.00 -0.98 -2.58 119.26 117.67 2dml h ALA 119 Ca 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2dml h ALA 119 Cb 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2dml h ALA 119 CO 0.01 0.04 -0.21 -0.07 0.00 0.00 0.00 179.25 179.02 2dml h LEU 120 N 0.65 -0.50 -0.97 0.00 3.38 -1.45 0.15 115.31 116.58 2dml h LEU 120 Ca 0.23 -0.08 0.32 0.00 0.09 0.00 0.00 57.88 58.44 2dml h LEU 120 Cb 0.06 0.13 -0.16 0.00 0.09 0.00 0.00 40.66 40.77 2dml h LEU 120 CO -0.12 -0.20 0.35 -1.28 0.09 0.00 0.00 178.44 177.28 2dml h SER 121 N -0.81 0.09 -0.00 -0.43 0.87 -1.05 0.21 113.55 112.43 2dml h SER 121 Ca -0.06 0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 60.64 2dml h SER 121 Cb 0.55 0.29 0.01 0.00 -0.44 0.00 0.00 62.40 62.81 2dml h SER 121 CO 0.10 -0.28 -0.36 0.00 -0.53 0.00 0.00 176.83 175.76 2dml h ALA 122 N 1.91 0.04 -0.24 6.23 0.00 -1.34 -3.11 119.26 122.75 2dml h ALA 122 Ca 0.69 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2dml h ALA 122 Cb 1.60 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.33 2dml h ALA 122 CO -0.74 0.17 -0.33 1.25 0.00 0.00 0.00 179.25 179.59 2dml h LEU 123 N -0.38 -1.07 -1.84 0.00 7.12 0.14 0.11 115.31 119.40 2dml h LEU 123 Ca -0.04 0.17 0.08 0.00 0.13 0.00 0.00 57.88 58.21 2dml h LEU 123 Cb 1.10 0.47 -0.02 0.00 -0.53 0.00 0.00 40.66 41.68 2dml h LEU 123 CO 0.07 -0.35 0.28 0.08 -0.13 0.00 0.00 178.44 178.39 2dml h ARG 124 N -0.34 0.18 0.41 1.25 0.11 -1.08 -2.45 114.38 112.46 2dml h ARG 124 Ca 0.12 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.17 2dml h ARG 124 Cb 0.55 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.59 2dml h ARG 124 CO -0.43 0.12 -0.20 1.03 0.10 0.00 0.00 179.97 180.59 2dml h SER 125 N 0.19 -0.47 -3.38 0.08 0.87 -0.72 -3.49 113.55 106.62 2dml h SER 125 Ca 0.19 -0.03 0.19 0.00 -1.23 0.00 0.00 61.79 60.91 2dml h SER 125 Cb 0.49 0.12 -0.10 0.00 -0.44 0.00 0.00 62.40 62.47 2dml h SER 125 CO -0.03 -0.28 -1.03 0.61 -0.53 0.00 0.00 176.83 175.58 2dml n GLY 126 N -1.12 -3.18 0.07 5.77 0.00 -0.82 -4.41 105.19 101.50 2dml n GLY 126 Ca -0.11 -0.82 0.10 0.00 0.00 0.00 0.00 46.02 45.19 2dml n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dml n PRO 127 N -3.56 0.10 -3.13 1.61 -0.04 -1.26 -4.89 135.00 123.84 2dml n PRO 127 Ca -0.05 0.35 -0.14 0.00 -0.04 0.00 0.00 63.50 63.61 2dml n PRO 127 Cb 0.54 -1.70 0.05 0.00 -0.04 0.00 0.00 33.50 32.35 2dml n PRO 127 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dml n SER 128 N -1.89 -4.27 -4.75 3.54 2.88 -1.26 -5.04 113.62 102.83 2dml n SER 128 Ca 0.03 -0.34 -0.26 0.00 -1.33 0.00 0.00 58.87 56.97 2dml n SER 128 Cb 0.20 -3.30 -0.07 0.00 -0.75 0.00 0.00 64.21 60.29 2dml n SER 128 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dml s SER 129 N -3.30 4.37 0.00 -3.46 1.04 -1.26 -5.29 113.70 105.80 2dml s SER 129 Ca 0.30 -1.20 0.28 0.00 0.48 0.00 0.00 55.95 55.82 2dml s SER 129 Cb -0.13 -0.23 1.07 0.00 0.10 0.00 0.00 66.02 66.83 2dml s SER 129 CO 0.45 -0.65 1.76 0.61 0.98 0.00 0.00 173.24 176.39