#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dml n SER 2 N 0.00 -4.53 -4.73 1.61 2.88 -1.26 -4.98 113.62 102.62 2dml n SER 2 Ca 0.00 -0.45 -0.32 0.00 -1.33 0.00 0.00 58.87 56.78 2dml n SER 2 Cb 0.00 -4.12 0.12 0.00 -0.75 0.00 0.00 64.21 59.46 2dml n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dml s SER 3 N -3.48 3.91 0.00 -3.46 1.04 -1.26 -4.65 113.70 105.80 2dml s SER 3 Ca 0.34 2.07 0.00 0.00 0.48 0.00 0.00 55.95 58.84 2dml s SER 3 Cb -0.15 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.42 2dml s SER 3 CO 0.58 -2.44 0.00 0.61 0.98 0.00 0.00 173.24 172.97 2dml n GLY 4 N -0.34 0.70 3.64 7.32 0.00 -1.26 -5.05 105.19 110.20 2dml n GLY 4 Ca 0.11 -1.14 -0.00 0.00 0.00 0.00 0.00 46.02 44.99 2dml n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dml s SER 5 N -4.00 -0.09 -0.92 1.61 1.04 -1.26 -5.08 113.70 105.00 2dml s SER 5 Ca 0.00 -0.17 -0.25 0.00 0.48 0.00 0.00 55.95 56.01 2dml s SER 5 Cb 0.00 0.23 -0.07 0.00 0.10 0.00 0.00 66.02 66.28 2dml s SER 5 CO 0.00 -0.41 2.02 -0.55 0.98 0.00 0.00 173.24 175.28 2dml s SER 6 N -2.90 4.88 0.29 7.02 0.15 -1.26 -4.61 113.70 117.28 2dml s SER 6 Ca 0.13 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2dml s SER 6 Cb 0.03 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2dml s SER 6 CO -0.03 -3.02 0.00 0.61 1.20 0.00 0.00 173.24 172.01 2dml n GLY 7 N 6.72 -4.20 3.77 9.45 0.00 -1.26 -4.95 105.19 114.73 2dml n GLY 7 Ca 0.42 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 2dml n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dml s ALA 8 N -2.36 2.31 -0.03 4.61 0.00 -1.26 -4.99 121.76 120.04 2dml s ALA 8 Ca 0.00 0.32 0.06 0.00 0.00 0.00 0.00 51.96 52.33 2dml s ALA 8 Cb 0.00 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.76 2dml s ALA 8 CO 0.00 -1.66 0.08 1.55 0.00 0.00 0.00 175.76 175.73 2dml n VAL 9 N -3.30 0.17 0.00 0.00 3.14 -1.26 -4.80 118.33 112.28 2dml n VAL 9 Ca 0.09 -0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 2dml n VAL 9 Cb 0.53 -0.17 0.00 0.00 -1.06 0.00 0.00 33.84 33.14 2dml n VAL 9 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2dml n SER 10 N -1.93 3.16 -4.50 6.55 2.88 -1.26 -5.03 113.62 113.49 2dml n SER 10 Ca -0.05 0.00 -0.49 0.00 -1.33 0.00 0.00 58.87 57.00 2dml n SER 10 Cb 0.39 0.32 -0.06 0.00 -0.75 0.00 0.00 64.21 64.11 2dml n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dml n GLY 11 N 2.07 0.68 0.47 0.46 0.00 -1.26 -4.82 105.19 102.79 2dml n GLY 11 Ca 0.00 0.90 -0.18 0.00 0.00 0.00 0.00 46.02 46.74 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 12.57 -1.20-10.03 0.99 3.38 -1.97 -3.44 115.31 115.62 2dml h LEU 12 Ca -0.32 0.08 -0.47 0.00 0.09 0.00 0.00 57.88 57.26 2dml h LEU 12 Cb 1.30 0.37 0.22 0.00 0.09 0.00 0.00 40.66 42.64 2dml h LEU 12 CO 1.00 -0.66 -0.24 -1.22 0.09 0.00 0.00 178.44 177.41 2dml n TYR 13 N -5.29 -0.91 -4.29 1.13 4.02 -1.26 -5.03 117.16 105.54 2dml n TYR 13 Ca -0.13 0.05 -0.26 0.00 -0.01 0.00 0.00 57.90 57.55 2dml n TYR 13 Cb 0.45 -1.74 -0.17 0.00 -0.02 0.00 0.00 39.34 37.86 2dml n TYR 13 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2dml s SER 14 N -2.30 2.10 0.44 7.72 0.15 -1.26 -5.00 113.70 115.55 2dml s SER 14 Ca 0.65 -0.34 0.32 0.00 0.70 0.00 0.00 55.95 57.28 2dml s SER 14 Cb -0.22 -0.91 1.47 0.00 -1.71 0.00 0.00 66.02 64.66 2dml s SER 14 CO 0.64 -0.03 1.59 0.28 1.20 0.00 0.00 173.24 176.93 2dml h SER 15 N 7.54 0.21 -0.58 5.45 0.02 -1.96 0.74 113.55 124.97 2dml h SER 15 Ca -0.31 0.15 0.09 0.00 -0.84 0.00 0.00 61.79 60.88 2dml h SER 15 Cb 1.16 0.15 -0.07 0.00 0.14 0.00 0.00 62.40 63.78 2dml h SER 15 CO 0.46 -0.23 0.20 0.77 -1.14 0.00 0.00 176.83 176.89 2dml h SER 16 N 0.03 0.18 -1.47 3.07 4.64 -1.95 -3.43 113.55 114.62 2dml h SER 16 Ca 0.86 0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 62.14 2dml h SER 16 Cb 2.75 0.07 0.07 0.00 -0.31 0.00 0.00 62.40 64.99 2dml h SER 16 CO -0.45 0.11 -0.06 0.47 -0.87 0.00 0.00 176.83 176.03 2dml n ASP 17 N -5.02 -2.40 0.14 4.97 8.00 0.26 -4.89 116.55 117.61 2dml n ASP 17 Ca 0.08 -0.30 0.05 0.00 0.71 0.00 0.00 54.79 55.33 2dml n ASP 17 Cb 0.27 -0.45 0.04 0.00 -0.02 0.00 0.00 41.12 40.96 2dml n ASP 17 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2dml h ASP 18 N -2.39 0.00 -3.11 -2.24 5.19 -1.83 -3.46 116.42 108.58 2dml h ASP 18 Ca -0.13 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.75 2dml h ASP 18 Cb 0.45 0.00 0.05 0.00 0.18 0.00 0.00 39.33 40.01 2dml h ASP 18 CO 0.08 0.37 0.80 -0.69 -3.12 0.00 0.00 179.24 176.68 2dml s VAL 19 N -3.04 2.73 -0.23 -1.35 1.01 -1.26 -4.84 120.40 113.42 2dml s VAL 19 Ca 0.03 0.56 -0.20 0.00 0.00 0.00 0.00 61.98 62.37 2dml s VAL 19 Cb 0.07 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 2dml s VAL 19 CO 0.74 0.07 0.59 -0.63 0.00 0.00 0.00 175.10 175.87 2dml s ILE 20 N 0.59 5.03 -0.70 2.22 1.01 -0.97 -4.70 121.20 123.67 2dml s ILE 20 Ca 0.64 1.08 -0.26 0.00 0.00 0.00 0.00 60.65 62.12 2dml s ILE 20 Cb -0.42 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.10 2dml s ILE 20 CO 0.37 0.09 2.03 -0.70 0.00 0.00 0.00 174.94 176.73 2dml s GLU 21 N 2.12 2.41 0.12 2.79 2.12 -1.26 -1.81 118.70 125.19 2dml s GLU 21 Ca 0.26 0.45 -0.28 0.00 0.36 0.00 0.00 54.97 55.75 2dml s GLU 21 Cb -0.16 -4.66 -0.06 0.00 0.26 0.00 0.00 34.13 29.51 2dml s GLU 21 CO 0.09 -3.20 0.89 -0.51 -0.54 0.00 0.00 175.26 172.00 2dml s LEU 22 N 10.47 4.52 0.14 2.70 1.43 -0.99 -4.93 118.68 132.02 2dml s LEU 22 Ca 0.75 1.71 0.02 0.00 -1.03 0.00 0.00 54.13 55.59 2dml s LEU 22 Cb -0.11 -3.47 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 2dml s LEU 22 CO 0.14 0.01 -0.04 0.42 0.23 0.00 0.00 176.35 177.11 2dml s THR 23 N -0.30 0.75 -1.15 5.49 -4.23 -1.26 -4.46 115.64 110.48 2dml s THR 23 Ca 0.43 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 2dml s THR 23 Cb -0.23 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.73 2dml s THR 23 CO 0.28 -0.69 0.28 -0.81 -0.54 0.00 0.00 174.62 173.14 2dml n PRO 24 N -0.14 0.49 0.00 3.99 -0.04 -1.26 0.44 135.00 138.48 2dml n PRO 24 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2dml n PRO 24 Cb 0.62 -1.21 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 4.36 0.00 3.54 7.64 -1.26 -4.79 113.62 123.25 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 64.07 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 -1.43 2.43 -0.60 6.43 6.94 -0.83 -4.75 115.26 123.45 2dml n ASN 26 Ca 0.00 -0.11 0.46 0.00 -0.02 0.00 0.00 54.58 54.91 2dml n ASN 26 Cb 0.11 0.72 0.72 0.00 -2.36 0.00 0.00 39.78 38.96 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 -0.96 0.13 0.02 -2.53 -0.00 0.17 0.17 117.46 114.45 2dml n PHE 27 Ca 0.00 0.13 -0.21 0.00 -0.00 0.00 0.00 57.45 57.37 2dml n PHE 27 Cb 0.00 -0.57 -0.14 0.00 -0.00 0.00 0.00 39.48 38.77 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 0.40 0.52 -2.13 -1.24 -1.85 -1.29 115.58 109.99 2dml h ASN 28 Ca 0.84 -0.87 0.00 0.00 0.71 0.00 0.00 56.30 56.98 2dml h ASN 28 Cb 3.26 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 42.18 2dml h ASN 28 CO -0.09 1.58 0.00 0.54 -1.29 0.00 0.00 177.43 178.17 2dml n ARG 29 N -3.95 0.36 -0.09 6.67 3.00 0.44 0.24 116.66 123.32 2dml n ARG 29 Ca -0.23 0.04 -0.19 0.00 -0.01 0.00 0.00 57.85 57.46 2dml n ARG 29 Cb 0.89 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.79 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 0.39 -0.05 5.56 -0.58 0.36 -4.56 120.64 120.47 2dml n GLU 30 Ca 0.12 0.17 -0.05 0.00 -0.42 0.00 0.00 57.16 56.99 2dml n GLU 30 Cb 0.22 -1.16 -0.02 0.00 -0.57 0.00 0.00 31.44 29.91 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 -3.85 0.83 -0.28 2.62 0.31 -0.51 -4.08 118.33 113.37 2dml n VAL 31 Ca -0.35 0.31 0.28 0.00 -0.01 0.00 0.00 64.34 64.56 2dml n VAL 31 Cb 0.74 -1.98 0.64 0.00 -0.91 0.00 0.00 33.84 32.33 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 0.51 -0.89 2.52 1.08 -1.20 0.68 117.51 119.66 2dml h ILE 32 Ca 0.00 -0.06 -0.47 0.00 -0.39 0.00 0.00 64.86 63.94 2dml h ILE 32 Cb 0.52 0.32 -0.27 0.00 -3.07 0.00 0.00 36.82 34.31 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 -4.39 2.12 -3.77 2.37 1.13 0.66 -4.79 117.38 110.72 2dml n GLN 33 Ca 0.23 -2.67 -0.29 0.00 -1.94 0.00 0.00 57.00 52.32 2dml n GLN 33 Cb 0.99 -2.05 -0.15 0.00 0.11 0.00 0.00 30.24 29.14 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 -1.05 3.83 0.49 1.08 0.15 0.24 -4.81 113.70 113.63 2dml s SER 34 Ca 0.51 -1.46 0.22 0.00 0.70 0.00 0.00 55.95 55.92 2dml s SER 34 Cb 0.43 -0.88 1.28 0.00 -1.71 0.00 0.00 66.02 65.13 2dml s SER 34 CO 0.09 -0.37 1.97 -2.24 1.20 0.00 0.00 173.24 173.88 2dml h ASP 35 N 8.08 0.14 -3.09 5.45 3.04 -1.87 -3.42 116.42 124.75 2dml h ASP 35 Ca -0.14 0.01 -0.34 0.00 -3.24 0.00 0.00 57.03 53.32 2dml h ASP 35 Cb 1.04 -0.02 0.17 0.00 -1.04 0.00 0.00 39.33 39.48 2dml h ASP 35 CO 0.44 0.07 0.10 0.61 -2.04 0.00 0.00 179.24 178.42 2dml n GLY 36 N -1.60 -2.73 3.79 7.15 0.00 -1.26 -4.74 105.19 105.80 2dml n GLY 36 Ca 0.12 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 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 4.26 -0.04 0.99 2.96 -1.26 -4.74 118.68 120.85 2dml s LEU 37 Ca 0.61 1.74 0.01 0.00 -0.22 0.00 0.00 54.13 56.28 2dml s LEU 37 Cb -0.06 -4.06 0.02 0.00 0.50 0.00 0.00 46.19 42.59 2dml s LEU 37 CO 0.46 -0.11 -0.06 0.26 -1.32 0.00 0.00 176.35 175.58 2dml s TRP 38 N -1.72 0.84 -0.40 5.38 0.52 -0.14 -1.93 118.94 121.49 2dml s TRP 38 Ca 0.52 -0.24 -0.03 0.00 0.02 0.00 0.00 56.10 56.37 2dml s TRP 38 Cb -0.16 -0.69 0.11 0.00 -1.15 0.00 0.00 33.47 31.57 2dml s TRP 38 CO 0.21 -0.17 0.19 -0.51 0.02 0.00 0.00 176.95 176.69 2dml s LEU 39 N 0.70 5.17 -0.20 2.99 1.43 0.42 0.30 118.68 129.48 2dml s LEU 39 Ca -0.10 -1.97 -0.08 0.00 -1.03 0.00 0.00 54.13 50.94 2dml s LEU 39 Cb -0.13 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 2dml s LEU 39 CO 0.01 -0.53 0.09 -0.69 0.23 0.00 0.00 176.35 175.46 2dml s VAL 40 N 1.16 4.97 -0.08 -1.59 1.01 -0.58 -1.08 120.40 124.20 2dml s VAL 40 Ca 0.07 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.12 2dml s VAL 40 Cb -0.23 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 2dml s VAL 40 CO -0.04 0.42 -0.18 -0.70 0.00 0.00 0.00 175.10 174.61 2dml s GLU 41 N 0.61 2.84 -0.52 2.72 -6.30 -1.26 0.19 118.70 116.98 2dml s GLU 41 Ca 0.05 -0.76 -0.14 0.00 -2.50 0.00 0.00 54.97 51.62 2dml s GLU 41 Cb -0.13 -2.39 0.13 0.00 0.00 0.00 0.00 34.13 31.74 2dml s GLU 41 CO 0.01 0.39 0.45 -0.06 0.02 0.00 0.00 175.26 176.07 2dml s PHE 42 N -0.14 3.32 0.53 5.30 0.40 0.92 -1.21 117.98 127.10 2dml s PHE 42 Ca -0.02 -1.50 0.06 0.00 -0.60 0.00 0.00 56.93 54.87 2dml s PHE 42 Cb -0.14 -3.70 0.04 0.00 0.51 0.00 0.00 43.02 39.73 2dml s PHE 42 CO 0.04 -1.01 0.45 1.52 0.70 0.00 0.00 175.22 176.92 2dml s TYR 43 N 1.49 1.74 -0.07 0.36 -0.85 -1.06 -1.92 117.35 117.05 2dml s TYR 43 Ca 0.04 -0.78 -0.01 0.00 -0.52 0.00 0.00 57.07 55.80 2dml s TYR 43 Cb -0.28 -1.99 0.03 0.00 0.38 0.00 0.00 41.96 40.09 2dml s TYR 43 CO 0.02 -0.52 0.00 0.00 -1.52 0.00 0.00 175.55 173.53 2dml s ALA 44 N -2.72 0.67 -2.00 9.51 0.00 -1.26 -0.59 121.76 125.37 2dml s ALA 44 Ca 0.40 -0.10 0.08 0.00 0.00 0.00 0.00 51.96 52.33 2dml s ALA 44 Cb -0.03 -0.72 0.46 0.00 0.00 0.00 0.00 23.12 22.83 2dml s ALA 44 CO 0.25 -0.43 0.91 -0.35 0.00 0.00 0.00 175.76 176.13 2dml n PRO 45 N 5.08 0.49 -0.00 0.00 -0.04 -1.26 -1.88 135.00 137.38 2dml n PRO 45 Ca -0.08 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.40 2dml n PRO 45 Cb 0.50 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.74 0.00 -2.35 0.54 4.27 -1.26 -5.03 117.44 112.87 2dml n TRP 46 Ca 0.06 0.00 -0.25 0.00 -3.89 0.00 0.00 57.50 53.41 2dml n TRP 46 Cb 0.03 -0.04 0.12 0.00 -1.36 0.00 0.00 31.31 30.05 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 -3.07 -0.49 0.53 0.00 0.00 -1.26 -3.96 105.19 96.94 2dml n GLY 48 Ca 0.13 0.00 0.34 0.00 0.00 0.00 0.00 46.02 46.49 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 0.07 1.61 -0.00 -1.95 0.18 115.15 115.05 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 -0.03 0.00 -0.00 0.00 0.00 177.93 177.90 2dml h GLN 51 N -0.60 0.00 -0.02 0.00 4.20 -0.79 0.29 115.11 118.20 2dml h GLN 51 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2dml h GLN 51 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2dml h GLN 51 CO 0.02 0.00 -0.06 0.54 -0.67 0.00 0.00 178.83 178.66 2dml n ARG 52 N -2.43 1.76 -0.12 1.46 1.74 -0.94 -3.80 116.66 114.33 2dml n ARG 52 Ca -0.02 -1.22 0.10 0.00 -0.77 0.00 0.00 57.85 55.95 2dml n ARG 52 Cb 0.04 -1.47 0.16 0.00 -1.02 0.00 0.00 32.46 30.16 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 0.44 3.05 0.06 0.55 7.94 0.10 -4.48 117.00 124.66 2dml n LEU 53 Ca 0.16 -1.37 -0.13 0.00 -1.11 0.00 0.00 56.01 53.56 2dml n LEU 53 Cb 0.44 -0.16 -0.09 0.00 0.53 0.00 0.00 43.42 44.15 2dml n LEU 53 CO 0.18 0.63 0.66 0.74 -1.11 0.00 0.00 177.39 178.48 2dml h THR 54 N 3.83 1.05 -0.00 1.96 2.02 -1.65 0.03 112.91 120.14 2dml h THR 54 Ca 0.00 -0.69 -0.10 0.00 0.77 0.00 0.00 66.41 66.39 2dml h THR 54 Cb 0.87 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 2dml h THR 54 CO 0.00 0.17 -0.48 1.55 0.37 0.00 0.00 175.52 177.12 2dml h PRO 55 N -0.48 0.01 -0.02 6.66 0.13 -1.85 -1.41 132.00 135.04 2dml h PRO 55 Ca -0.02 -0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.98 2dml h PRO 55 Cb 0.39 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.53 2dml h PRO 55 CO 0.03 0.49 -0.52 0.93 -0.23 0.00 0.00 178.00 178.70 2dml h GLU 56 N 0.01 0.38 -0.38 0.86 4.39 -1.77 -2.75 114.58 115.31 2dml h GLU 56 Ca -0.00 -0.39 -0.10 0.00 0.34 0.00 0.00 59.36 59.21 2dml h GLU 56 Cb 0.86 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 2dml h GLU 56 CO 0.06 1.06 -0.14 2.35 -1.16 0.00 0.00 179.01 181.18 2dml h TRP 57 N -0.15 0.88 -0.01 4.33 -0.00 -0.97 -2.81 115.95 117.22 2dml h TRP 57 Ca -0.06 -0.21 0.01 0.00 -0.00 0.00 0.00 58.89 58.63 2dml h TRP 57 Cb 1.23 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 30.17 2dml h TRP 57 CO 0.15 0.93 -0.04 0.87 -0.00 0.00 0.00 178.44 180.35 2dml h LYS 58 N 0.57 -0.06 -0.77 2.65 1.57 -1.35 -2.38 116.57 116.80 2dml h LYS 58 Ca 0.09 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.00 2dml h LYS 58 Cb 0.68 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.87 2dml h LYS 58 CO 0.05 -0.04 -0.38 0.87 -0.57 0.00 0.00 179.45 179.38 2dml h LYS 59 N -0.06 -0.09 -0.39 3.15 1.57 -1.48 0.70 116.57 119.95 2dml h LYS 59 Ca 0.02 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2dml h LYS 59 Cb 0.09 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2dml h LYS 59 CO -0.05 -0.06 0.25 0.00 -0.57 0.00 0.00 179.45 179.02 2dml h ALA 60 N 1.09 1.70 -0.05 3.86 0.00 -1.52 -1.39 119.26 122.94 2dml h ALA 60 Ca 0.27 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2dml h ALA 60 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2dml h ALA 60 CO -0.82 0.28 -0.29 0.00 0.00 0.00 0.00 179.25 178.41 2dml h ALA 61 N 1.74 1.41 -0.18 0.00 0.00 0.84 0.30 119.26 123.37 2dml h ALA 61 Ca 0.14 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2dml h ALA 61 Cb -0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2dml h ALA 61 CO -0.03 0.43 -0.26 1.15 0.00 0.00 0.00 179.25 180.54 2dml h THR 62 N 0.09 1.34 0.03 0.00 2.02 0.10 0.20 112.91 116.70 2dml h THR 62 Ca 0.01 -1.48 -0.19 0.00 0.77 0.00 0.00 66.41 65.53 2dml h THR 62 Cb 0.57 1.88 0.02 0.00 -1.74 0.00 0.00 68.15 68.88 2dml h THR 62 CO 0.04 0.45 -0.75 0.00 0.37 0.00 0.00 175.52 175.63 2dml h ALA 63 N 0.60 0.05 -0.28 6.16 0.00 -1.35 -3.20 119.26 121.23 2dml h ALA 63 Ca 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2dml h ALA 63 Cb 0.83 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2dml h ALA 63 CO 0.06 0.43 0.00 1.28 0.00 0.00 0.00 179.25 181.02 2dml n LEU 64 N -4.12 1.48 -0.29 0.00 4.77 0.10 -4.19 117.00 114.75 2dml n LEU 64 Ca -0.11 -0.74 0.04 0.00 -0.03 0.00 0.00 56.01 55.17 2dml n LEU 64 Cb 0.75 -0.18 0.18 0.00 -2.33 0.00 0.00 43.42 41.84 2dml n LEU 64 CO 0.49 0.37 1.13 0.50 -1.33 0.00 0.00 177.39 178.55 2dml h LYS 65 N 1.62 0.71 0.00 3.23 3.64 -0.58 0.72 116.57 125.90 2dml h LYS 65 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2dml h LYS 65 Cb 0.37 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2dml h LYS 65 CO 0.00 0.47 -1.13 -0.25 -2.27 0.00 0.00 179.45 176.27 2dml n ASP 66 N -4.78 0.80 -0.01 4.20 8.00 -1.26 -4.65 116.55 118.85 2dml n ASP 66 Ca 0.14 -0.77 -0.01 0.00 0.71 0.00 0.00 54.79 54.87 2dml n ASP 66 Cb 0.32 1.11 -0.00 0.00 -0.02 0.00 0.00 41.12 42.53 2dml n ASP 66 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2dml n VAL 67 N -1.64 0.12 -4.28 2.53 0.31 -0.70 -4.97 118.33 109.71 2dml n VAL 67 Ca 0.03 0.47 -0.33 0.00 -0.01 0.00 0.00 64.34 64.50 2dml n VAL 67 Cb 0.37 -1.57 -0.16 0.00 -0.91 0.00 0.00 33.84 31.57 2dml n VAL 67 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2dml s VAL 68 N -1.13 2.26 -0.56 2.52 1.01 0.24 -4.70 120.40 120.04 2dml s VAL 68 Ca -0.02 -0.88 -0.26 0.00 0.00 0.00 0.00 61.98 60.82 2dml s VAL 68 Cb 0.00 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.37 2dml s VAL 68 CO 0.03 0.53 2.30 -0.54 0.00 0.00 0.00 175.10 177.41 2dml s LYS 69 N 1.14 2.14 -0.58 2.72 -0.14 -0.81 -4.17 119.74 120.04 2dml s LYS 69 Ca 0.01 1.10 -0.19 0.00 -1.36 0.00 0.00 55.97 55.53 2dml s LYS 69 Cb -0.14 -4.59 0.09 0.00 -1.68 0.00 0.00 37.83 31.51 2dml s LYS 69 CO -0.08 -3.33 0.71 0.08 -0.76 0.00 0.00 175.35 171.97 2dml s VAL 70 N 11.90 4.80 0.00 3.17 1.01 -1.26 -0.44 120.40 139.58 2dml s VAL 70 Ca 0.91 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2dml s VAL 70 Cb -0.15 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 31.76 2dml s VAL 70 CO 0.22 -1.08 0.00 0.61 0.00 0.00 0.00 175.10 174.85 2dml n GLY 71 N 5.26 1.13 3.42 4.51 0.00 -0.24 -2.30 105.19 116.98 2dml n GLY 71 Ca -0.08 -1.83 0.01 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.99 -2.68 -0.15 4.61 0.00 -0.75 -4.27 121.76 115.53 2dml s ALA 72 Ca 0.00 2.06 0.02 0.00 0.00 0.00 0.00 51.96 54.03 2dml s ALA 72 Cb 0.00 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 21.10 2dml s ALA 72 CO 0.00 -0.87 -0.20 0.08 0.00 0.00 0.00 175.76 174.78 2dml s VAL 73 N 2.26 2.26 -0.89 0.00 1.01 -0.35 -2.35 120.40 122.34 2dml s VAL 73 Ca -0.03 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.79 2dml s VAL 73 Cb -0.05 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.41 2dml s VAL 73 CO -0.17 0.54 1.65 0.21 0.00 0.00 0.00 175.10 177.33 2dml s ASN 74 N 0.83 5.84 0.35 3.32 2.47 -1.26 -2.58 114.94 123.91 2dml s ASN 74 Ca -0.06 -0.84 0.17 0.00 0.42 0.00 0.00 52.86 52.55 2dml s ASN 74 Cb -0.15 -2.56 1.19 0.00 -1.45 0.00 0.00 41.25 38.27 2dml s ASN 74 CO -0.02 -2.09 1.62 0.00 -3.72 0.00 0.00 177.10 172.90 2dml h ALA 75 N 10.95 2.01 -0.08 1.71 0.00 -1.13 1.02 119.26 133.74 2dml h ALA 75 Ca 0.05 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2dml h ALA 75 Cb 1.03 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2dml h ALA 75 CO 1.31 -0.74 0.05 0.22 0.00 0.00 0.00 179.25 180.08 2dml h ASP 76 N 0.17 0.09 0.10 0.00 3.58 -1.88 -1.35 116.42 117.12 2dml h ASP 76 Ca 0.78 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 58.18 2dml h ASP 76 Cb 1.90 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.93 2dml h ASP 76 CO -0.69 0.11 -0.05 0.50 -2.88 0.00 0.00 179.24 176.23 2dml h LYS 77 N 0.07 -0.13 -1.96 0.28 3.64 -0.51 -3.33 116.57 114.63 2dml h LYS 77 Ca 0.03 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 2dml h LYS 77 Cb 0.03 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 2dml h LYS 77 CO -0.01 -0.04 -0.08 0.72 -2.27 0.00 0.00 179.45 177.77 2dml n HIS 78 N -4.86 0.19 -0.37 1.91 8.25 0.30 -4.56 115.22 116.08 2dml n HIS 78 Ca -0.02 -1.28 0.38 0.00 -0.26 0.00 0.00 57.72 56.53 2dml n HIS 78 Cb 0.07 -0.94 0.74 0.00 1.12 0.00 0.00 29.99 30.98 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 1.79 0.00 -0.09 -0.41 1.08 -1.36 0.32 115.11 116.45 2dml h GLN 79 Ca 0.10 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 2dml h GLN 79 Cb 1.16 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.58 2dml h GLN 79 CO 0.17 0.00 -0.00 0.77 -0.95 0.00 0.00 178.83 178.82 2dml h SER 80 N 0.00 0.15 0.42 1.46 0.02 -1.84 -1.96 113.55 111.80 2dml h SER 80 Ca 0.62 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 2dml h SER 80 Cb 2.58 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 65.08 2dml h SER 80 CO -0.01 0.43 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.84 2dml h LEU 81 N -0.12 -0.47 0.20 5.07 3.38 -0.76 0.18 115.31 122.78 2dml h LEU 81 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2dml h LEU 81 Cb 0.35 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2dml h LEU 81 CO 0.00 -0.30 -0.39 1.23 0.09 0.00 0.00 178.44 179.08 2dml h GLY 82 N -0.61 -1.16 0.74 0.83 0.00 -1.48 -2.90 103.07 98.49 2dml h GLY 82 Ca -0.06 0.58 0.04 0.00 0.00 0.00 0.00 47.33 47.89 2dml h GLY 82 CO 0.09 -0.33 0.15 -1.33 0.00 0.00 0.00 176.54 175.13 2dml h GLY 83 N -0.64 0.49 -0.02 4.60 0.00 -1.40 -1.07 103.07 105.04 2dml h GLY 83 Ca -0.02 -0.10 0.13 0.00 0.00 0.00 0.00 47.33 47.34 2dml h GLY 83 CO -0.15 0.06 0.89 -1.61 0.00 0.00 0.00 176.54 175.72 2dml h GLN 84 N 0.33 0.00 0.00 4.80 4.15 -0.44 0.43 115.11 124.37 2dml h GLN 84 Ca 0.17 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 59.23 2dml h GLN 84 Cb 0.11 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.74 2dml h GLN 84 CO -0.15 0.00 -2.34 0.66 -1.93 0.00 0.00 178.83 175.08 2dml n TYR 85 N -3.02 0.00 0.00 3.99 4.02 -0.52 -5.01 117.16 116.62 2dml n TYR 85 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 2dml n TYR 85 Cb 1.03 -0.91 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 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 2.27 0.80 3.67 2.72 0.00 0.15 -5.10 105.19 109.70 2dml n GLY 86 Ca -0.40 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.80 4.60 0.00 1.61 1.01 -0.53 -4.84 120.40 121.45 2dml s VAL 87 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.89 2dml s VAL 87 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2dml s VAL 87 CO 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 175.10 175.00 2dml n GLN 88 N 5.87 2.15 -3.83 2.72 -0.00 -1.26 -4.19 117.38 118.84 2dml n GLN 88 Ca 0.11 0.00 -0.27 0.00 -0.00 0.00 0.00 57.00 56.84 2dml n GLN 88 Cb 0.47 -0.81 -0.17 0.00 -0.00 0.00 0.00 30.24 29.73 2dml n GLN 88 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2dml s GLY 89 N -2.42 0.79 0.38 2.61 0.00 -1.26 -5.14 107.32 102.28 2dml s GLY 89 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 44.72 44.07 2dml s GLY 89 CO 0.00 1.11 0.58 -1.36 0.00 0.00 0.00 173.10 173.43 2dml s PHE 90 N 1.76 3.40 0.50 1.90 0.08 -1.26 -4.19 117.98 120.16 2dml s PHE 90 Ca 0.01 0.28 -0.21 0.00 0.12 0.00 0.00 56.93 57.13 2dml s PHE 90 Cb -0.15 -2.02 -0.07 0.00 -0.57 0.00 0.00 43.02 40.21 2dml s PHE 90 CO -0.07 -0.02 1.15 -1.25 -0.10 0.00 0.00 175.22 174.92 2dml s PRO 91 N -4.38 3.58 -0.26 0.24 0.04 -1.26 -4.90 135.00 128.07 2dml s PRO 91 Ca 0.43 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 63.14 2dml s PRO 91 Cb -0.10 -2.23 0.08 0.00 0.04 0.00 0.00 34.50 32.30 2dml s PRO 91 CO 0.36 -0.68 0.08 0.99 0.04 0.00 0.00 177.00 177.79 2dml s THR 92 N -1.65 0.52 0.13 1.26 2.01 -0.81 -4.99 115.64 112.11 2dml s THR 92 Ca 0.68 -0.90 -0.13 0.00 0.31 0.00 0.00 61.69 61.64 2dml s THR 92 Cb -0.26 -1.25 -0.07 0.00 0.01 0.00 0.00 72.50 70.93 2dml s THR 92 CO 0.31 -0.49 0.51 -0.63 -0.69 0.00 0.00 174.62 173.63 2dml s ILE 93 N 1.82 4.91 -0.02 1.82 1.01 -1.26 -0.05 121.20 129.43 2dml s ILE 93 Ca 0.05 0.73 0.02 0.00 0.00 0.00 0.00 60.65 61.45 2dml s ILE 93 Cb -0.17 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.60 2dml s ILE 93 CO -0.20 0.25 -0.06 -0.54 0.00 0.00 0.00 174.94 174.38 2dml s LYS 94 N -1.96 0.66 -0.11 2.79 -0.14 0.13 -3.30 119.74 117.81 2dml s LYS 94 Ca 0.37 -0.20 -0.08 0.00 -1.36 0.00 0.00 55.97 54.70 2dml s LYS 94 Cb -0.15 -0.65 -0.04 0.00 -1.68 0.00 0.00 37.83 35.31 2dml s LYS 94 CO 0.19 0.07 0.18 0.42 -0.76 0.00 0.00 175.35 175.44 2dml s ILE 95 N 0.23 5.44 -0.11 2.17 1.01 -0.93 -1.53 121.20 127.49 2dml s ILE 95 Ca -0.03 0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.95 2dml s ILE 95 Cb -0.07 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 38.96 2dml s ILE 95 CO -0.00 0.61 -0.20 -0.36 0.00 0.00 0.00 174.94 174.99 2dml s PHE 96 N -0.97 2.30 0.00 3.97 0.40 0.15 -1.90 117.98 121.91 2dml s PHE 96 Ca 0.16 -1.02 0.00 0.00 -0.60 0.00 0.00 56.93 55.47 2dml s PHE 96 Cb -0.13 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 41.83 2dml s PHE 96 CO 0.05 -0.46 0.00 0.41 0.70 0.00 0.00 175.22 175.93 2dml n GLY 97 N 3.83 -2.16 0.31 4.36 0.00 -1.26 -0.96 105.19 109.31 2dml n GLY 97 Ca -0.20 0.72 -0.11 0.00 0.00 0.00 0.00 46.02 46.44 2dml n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dml h ALA 98 N 1.72 -0.87 -3.34 4.61 0.00 -1.91 -3.36 119.26 116.10 2dml h ALA 98 Ca 0.00 -0.08 -0.67 0.00 0.00 0.00 0.00 54.91 54.16 2dml h ALA 98 Cb 0.00 0.70 -0.38 0.00 0.00 0.00 0.00 17.79 18.11 2dml h ALA 98 CO 0.00 -0.94 -0.56 1.21 0.00 0.00 0.00 179.25 178.96 2dml s ASN 99 N -3.78 4.79 0.27 0.00 2.47 -1.26 -4.93 114.94 112.50 2dml s ASN 99 Ca -0.10 -2.69 0.14 0.00 0.42 0.00 0.00 52.86 50.62 2dml s ASN 99 Cb 0.04 -1.73 0.74 0.00 -1.45 0.00 0.00 41.25 38.85 2dml s ASN 99 CO 0.38 -0.34 1.34 0.29 -3.72 0.00 0.00 177.10 175.05 2dml n LYS 100 N 3.61 0.09 0.03 0.43 4.76 -1.26 0.27 118.16 126.09 2dml n LYS 100 Ca 0.05 0.56 -0.05 0.00 -2.87 0.00 0.00 58.31 56.00 2dml n LYS 100 Cb 0.37 -1.97 -0.10 0.00 -1.84 0.00 0.00 35.03 31.48 2dml n LYS 100 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 2dml h ASN 101 N 0.00 0.00 -2.86 4.39 -0.26 -1.95 -3.44 115.58 111.46 2dml h ASN 101 Ca 0.00 0.00 -0.54 0.00 -0.56 0.00 0.00 56.30 55.20 2dml h ASN 101 Cb 0.35 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 37.21 2dml h ASN 101 CO 0.00 0.84 -0.78 -0.54 -1.06 0.00 0.00 177.43 175.89 2dml s LYS 102 N -2.74 0.32 1.01 0.81 1.02 0.14 -5.11 119.74 115.20 2dml s LYS 102 Ca -0.02 -0.70 -0.12 0.00 0.02 0.00 0.00 55.97 55.15 2dml s LYS 102 Cb 0.09 -1.34 0.20 0.00 -0.52 0.00 0.00 37.83 36.25 2dml s LYS 102 CO 0.81 -1.02 1.09 -1.25 -0.92 0.00 0.00 175.35 174.06 2dml s PRO 103 N 1.93 0.31 -0.10 -1.68 0.04 -1.24 -4.43 135.00 129.83 2dml s PRO 103 Ca 0.10 0.48 -0.01 0.00 0.04 0.00 0.00 61.00 61.61 2dml s PRO 103 Cb -0.17 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2dml s PRO 103 CO -0.32 -2.81 -0.07 -1.83 0.04 0.00 0.00 177.00 172.02 2dml s GLU 104 N -4.97 3.13 -0.09 4.56 -1.05 -0.80 -4.88 118.70 114.61 2dml s GLU 104 Ca 0.66 -0.56 -0.34 0.00 -0.15 0.00 0.00 54.97 54.58 2dml s GLU 104 Cb -0.19 -2.70 -0.12 0.00 -0.44 0.00 0.00 34.13 30.69 2dml s GLU 104 CO 0.58 0.47 1.90 -0.25 0.95 0.00 0.00 175.26 178.91 2dml n ASP 105 N 2.81 3.47 -4.55 0.83 9.92 -1.26 -2.19 116.55 125.58 2dml n ASP 105 Ca -0.18 0.95 -0.40 0.00 -0.53 0.00 0.00 54.79 54.63 2dml n ASP 105 Cb 0.53 -1.38 -0.03 0.00 -0.64 0.00 0.00 41.12 39.60 2dml n ASP 105 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2dml s TYR 106 N 4.22 2.21 -0.63 1.24 5.04 -1.21 -4.85 117.35 123.38 2dml s TYR 106 Ca 0.93 -0.03 -0.01 0.00 -2.44 0.00 0.00 57.07 55.52 2dml s TYR 106 Cb -0.68 -4.54 0.46 0.00 0.35 0.00 0.00 41.96 37.55 2dml s TYR 106 CO 0.51 -2.08 1.98 1.04 -1.34 0.00 0.00 175.55 175.66 2dml n GLN 107 N 9.25 2.73 -4.19 4.97 1.13 -1.26 -4.84 117.38 125.17 2dml n GLN 107 Ca 0.12 -3.33 -0.24 0.00 -1.94 0.00 0.00 57.00 51.61 2dml n GLN 107 Cb 0.50 -2.28 -0.07 0.00 0.11 0.00 0.00 30.24 28.49 2dml n GLN 107 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2dml s GLY 108 N -1.92 2.02 -0.01 1.08 0.00 -1.26 -5.06 107.32 102.16 2dml s GLY 108 Ca 0.64 -1.90 -0.39 0.00 0.00 0.00 0.00 44.72 43.07 2dml s GLY 108 CO -0.00 -1.82 1.25 0.61 0.00 0.00 0.00 173.10 173.13 2dml n GLY 109 N -1.08 0.10 2.47 0.20 0.00 -1.26 -4.81 105.19 100.81 2dml n GLY 109 Ca -0.03 0.76 -0.26 0.00 0.00 0.00 0.00 46.02 46.49 2dml n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dml n ARG 110 N 2.27 2.38 -4.60 1.61 5.12 -1.26 -3.08 116.66 119.10 2dml n ARG 110 Ca 0.20 -2.28 -0.23 0.00 -1.93 0.00 0.00 57.85 53.62 2dml n ARG 110 Cb 0.12 -2.14 -0.15 0.00 -1.16 0.00 0.00 32.46 29.12 2dml n ARG 110 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2dml s THR 111 N -2.09 1.07 0.37 0.55 -4.23 -1.26 -4.89 115.64 105.17 2dml s THR 111 Ca 0.59 -0.54 0.32 0.00 -1.18 0.00 0.00 61.69 60.88 2dml s THR 111 Cb 0.38 -0.92 0.48 0.00 1.34 0.00 0.00 72.50 73.77 2dml s THR 111 CO -0.21 0.32 1.13 0.61 -0.54 0.00 0.00 174.62 175.93 2dml n GLY 112 N 3.06 -0.68 0.06 3.99 0.00 -1.06 0.55 105.19 111.10 2dml n GLY 112 Ca -0.17 0.52 -0.05 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.02 -0.20 1.61 5.08 -1.93 -3.20 114.58 115.92 2dml h GLU 113 Ca 0.67 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 59.08 2dml h GLU 113 Cb 2.50 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.70 2dml h GLU 113 CO -0.13 0.33 -0.16 0.00 -1.00 0.00 0.00 179.01 178.05 2dml h ALA 114 N -0.65 -0.02 -0.71 3.43 0.00 -0.14 -1.93 119.26 119.24 2dml h ALA 114 Ca -0.00 0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.14 2dml h ALA 114 Cb 0.35 0.35 -0.11 0.00 0.00 0.00 0.00 17.79 18.38 2dml h ALA 114 CO 0.00 -0.59 0.13 0.82 0.00 0.00 0.00 179.25 179.62 2dml h ILE 115 N -0.16 0.50 -0.68 0.00 2.04 -0.85 0.51 117.51 118.86 2dml h ILE 115 Ca 0.12 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 66.00 2dml h ILE 115 Cb 0.35 0.25 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 2dml h ILE 115 CO -0.30 0.04 0.31 0.58 0.00 0.00 0.00 178.15 178.78 2dml h VAL 116 N 0.23 0.82 -0.38 1.67 2.07 -1.35 0.19 116.25 119.49 2dml h VAL 116 Ca 0.39 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.63 2dml h VAL 116 Cb 0.67 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2dml h VAL 116 CO -0.52 0.10 -0.19 -0.78 0.02 0.00 0.00 177.57 176.20 2dml h ASP 117 N 0.53 0.74 0.02 0.57 1.82 -0.68 -2.53 116.42 116.89 2dml h ASP 117 Ca 0.34 -0.25 -0.00 0.00 -0.39 0.00 0.00 57.03 56.73 2dml h ASP 117 Cb 0.38 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.19 2dml h ASP 117 CO -0.28 0.92 -0.01 0.00 -1.61 0.00 0.00 179.24 178.26 2dml h ALA 118 N 1.14 -0.03 -0.93 -0.78 0.00 0.14 -1.96 119.26 116.84 2dml h ALA 118 Ca 0.10 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.93 2dml h ALA 118 Cb 0.67 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 2dml h ALA 118 CO 0.05 -0.33 0.57 0.00 0.00 0.00 0.00 179.25 179.54 2dml h ALA 119 N 0.58 1.36 0.54 0.00 0.00 -0.66 -2.20 119.26 118.89 2dml h ALA 119 Ca -0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2dml h ALA 119 Cb 0.37 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2dml h ALA 119 CO 0.00 0.20 -0.26 -0.07 0.00 0.00 0.00 179.25 179.13 2dml h LEU 120 N 0.94 -0.62 -0.87 0.00 3.38 -1.40 0.31 115.31 117.05 2dml h LEU 120 Ca 0.45 -0.05 0.23 0.00 0.09 0.00 0.00 57.88 58.59 2dml h LEU 120 Cb 0.39 0.16 -0.15 0.00 0.09 0.00 0.00 40.66 41.16 2dml h LEU 120 CO -0.25 -0.28 0.13 -1.28 0.09 0.00 0.00 178.44 176.85 2dml h SER 121 N -0.98 -0.20 -0.15 -0.43 0.87 -1.06 0.81 113.55 112.41 2dml h SER 121 Ca -0.07 0.22 -0.07 0.00 -1.23 0.00 0.00 61.79 60.63 2dml h SER 121 Cb 0.63 0.34 -0.00 0.00 -0.44 0.00 0.00 62.40 62.93 2dml h SER 121 CO 0.12 -0.21 -0.18 0.00 -0.53 0.00 0.00 176.83 176.03 2dml h ALA 122 N 1.81 0.23 -1.00 6.23 0.00 -1.35 -2.06 119.26 123.12 2dml h ALA 122 Ca 0.53 -0.35 0.15 0.00 0.00 0.00 0.00 54.91 55.24 2dml h ALA 122 Cb 1.04 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.63 2dml h ALA 122 CO -0.72 0.14 -0.41 1.25 0.00 0.00 0.00 179.25 179.51 2dml h LEU 123 N 0.01 -1.51 -0.17 0.00 7.12 0.14 0.23 115.31 121.13 2dml h LEU 123 Ca 0.02 0.31 -0.21 0.00 0.13 0.00 0.00 57.88 58.13 2dml h LEU 123 Cb 0.73 0.78 0.01 0.00 -0.53 0.00 0.00 40.66 41.65 2dml h LEU 123 CO 0.04 -0.28 -0.72 0.08 -0.13 0.00 0.00 178.44 177.43 2dml h ARG 124 N -0.00 0.79 -1.77 1.25 0.11 -1.52 -3.24 114.38 110.00 2dml h ARG 124 Ca 0.33 -0.62 -0.38 0.00 0.10 0.00 0.00 59.98 59.41 2dml h ARG 124 Cb 0.58 0.12 -0.15 0.00 1.11 0.00 0.00 29.97 31.63 2dml h ARG 124 CO -0.99 1.23 0.34 -1.13 0.10 0.00 0.00 179.97 179.53 2dml n SER 125 N -3.98 6.36 0.00 0.08 3.41 0.56 -4.68 113.62 115.38 2dml n SER 125 Ca -0.07 -3.07 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 2dml n SER 125 Cb 0.71 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 2dml n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dml n GLY 126 N 0.74 2.59 3.57 5.00 0.00 0.18 -4.81 105.19 112.47 2dml n GLY 126 Ca 0.38 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 2dml n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dml s PRO 127 N 1.69 2.52 -0.44 1.61 0.04 -1.26 -4.84 135.00 134.33 2dml s PRO 127 Ca 0.00 -0.78 -0.45 0.00 0.04 0.00 0.00 61.00 59.80 2dml s PRO 127 Cb 0.00 -5.16 -0.19 0.00 0.04 0.00 0.00 34.50 29.18 2dml s PRO 127 CO 0.00 -3.72 1.51 0.43 0.04 0.00 0.00 177.00 175.26 2dml n SER 128 N 14.21 1.07 -4.56 6.66 7.64 -1.26 -4.70 113.62 132.68 2dml n SER 128 Ca 0.43 1.15 -0.38 0.00 1.01 0.00 0.00 58.87 61.09 2dml n SER 128 Cb 0.47 -0.86 -0.03 0.00 -1.01 0.00 0.00 64.21 62.77 2dml n SER 128 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dml n SER 129 N 3.67 2.45 0.00 6.43 3.41 -1.26 -5.22 113.62 123.11 2dml n SER 129 Ca 0.29 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2dml n SER 129 Cb -0.05 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.34 2dml n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49