#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 -0.17 -0.37 1.61 1.04 -1.26 -5.13 113.70 109.42 2dml s SER 2 Ca 0.00 -0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.32 2dml s SER 2 Cb 0.00 0.37 0.10 0.00 0.10 0.00 0.00 66.02 66.60 2dml s SER 2 CO 0.00 -0.62 0.10 -0.55 0.98 0.00 0.00 173.24 173.15 2dml s SER 3 N -2.02 4.91 0.00 7.02 0.15 -1.26 -4.90 113.70 117.61 2dml s SER 3 Ca -0.05 -2.14 0.00 0.00 0.70 0.00 0.00 55.95 54.45 2dml s SER 3 Cb -0.01 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 2dml s SER 3 CO -0.03 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.60 2dml n GLY 4 N 4.32 1.48 2.28 9.45 0.00 -1.26 -4.73 105.19 116.72 2dml n GLY 4 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2dml n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dml n SER 5 N -0.33 5.67 -4.08 1.61 3.41 -1.26 -4.91 113.62 113.73 2dml n SER 5 Ca 0.00 -3.76 -0.36 0.00 -0.26 0.00 0.00 58.87 54.49 2dml n SER 5 Cb 0.00 -0.56 -0.09 0.00 -0.26 0.00 0.00 64.21 63.30 2dml n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dml s SER 6 N -3.00 5.39 -0.17 4.04 0.01 -1.26 -5.03 113.70 113.68 2dml s SER 6 Ca 0.53 -3.18 -0.13 0.00 1.31 0.00 0.00 55.95 54.48 2dml s SER 6 Cb 0.43 -1.85 0.05 0.00 0.21 0.00 0.00 66.02 64.86 2dml s SER 6 CO -0.07 -0.29 0.44 -0.83 0.41 0.00 0.00 173.24 172.90 2dml s GLY 7 N 0.26 -0.34 0.13 3.44 0.00 -1.26 -5.04 107.32 104.51 2dml s GLY 7 Ca 0.20 1.43 -0.15 0.00 0.00 0.00 0.00 44.72 46.20 2dml s GLY 7 CO -0.07 1.41 0.39 0.00 0.00 0.00 0.00 173.10 174.84 2dml s ALA 8 N 0.83 -0.87 0.00 3.20 0.00 -1.26 -5.07 121.76 118.59 2dml s ALA 8 Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2dml s ALA 8 Cb -0.06 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.76 2dml s ALA 8 CO -0.06 -0.64 0.00 0.28 0.00 0.00 0.00 175.76 175.33 2dml n VAL 9 N -0.22 0.00 -0.42 0.00 0.31 -1.26 -4.71 118.33 112.03 2dml n VAL 9 Ca -0.15 0.00 0.37 0.00 -0.01 0.00 0.00 64.34 64.54 2dml n VAL 9 Cb 0.64 -0.51 0.64 0.00 -0.91 0.00 0.00 33.84 33.70 2dml n VAL 9 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2dml h SER 10 N 0.00 0.25 -1.00 4.52 0.87 -1.97 -3.41 113.55 112.80 2dml h SER 10 Ca 0.00 0.18 -0.85 0.00 -1.23 0.00 0.00 61.79 59.90 2dml h SER 10 Cb 0.99 0.19 0.02 0.00 -0.44 0.00 0.00 62.40 63.16 2dml h SER 10 CO 0.00 -0.29 0.47 0.61 -0.53 0.00 0.00 176.83 177.09 2dml n GLY 11 N -1.44 0.03 0.28 5.77 0.00 -1.26 -4.79 105.19 103.79 2dml n GLY 11 Ca 0.39 0.92 0.08 0.00 0.00 0.00 0.00 46.02 47.41 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 4.32 -0.09-10.11 0.99 3.38 -1.97 -3.40 115.31 108.43 2dml h LEU 12 Ca -0.46 0.18 -0.49 0.00 0.09 0.00 0.00 57.88 57.19 2dml h LEU 12 Cb 1.39 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 2dml h LEU 12 CO 0.87 -0.11 0.13 -0.31 0.09 0.00 0.00 178.44 179.10 2dml s TYR 13 N -6.03 3.44 0.20 1.13 1.51 -1.26 -5.09 117.35 111.24 2dml s TYR 13 Ca -0.13 1.13 0.04 0.00 -1.01 0.00 0.00 57.07 57.10 2dml s TYR 13 Cb 0.23 -2.49 -0.05 0.00 -0.11 0.00 0.00 41.96 39.54 2dml s TYR 13 CO 0.76 -0.06 -0.05 -1.12 -1.11 0.00 0.00 175.55 173.97 2dml s SER 14 N -2.87 1.85 0.42 2.29 0.01 -1.26 -5.01 113.70 109.12 2dml s SER 14 Ca 0.53 -1.13 0.08 0.00 1.31 0.00 0.00 55.95 56.74 2dml s SER 14 Cb -0.10 -0.01 0.89 0.00 0.21 0.00 0.00 66.02 67.01 2dml s SER 14 CO 0.27 -0.42 2.04 0.28 0.41 0.00 0.00 173.24 175.82 2dml h SER 15 N 2.60 0.38 -0.47 2.44 0.02 -1.98 -2.67 113.55 113.88 2dml h SER 15 Ca -0.38 -0.02 0.09 0.00 -0.84 0.00 0.00 61.79 60.65 2dml h SER 15 Cb 1.21 -0.10 -0.08 0.00 0.14 0.00 0.00 62.40 63.57 2dml h SER 15 CO 0.64 0.32 -0.06 0.77 -1.14 0.00 0.00 176.83 177.36 2dml h SER 16 N 0.44 -0.31 -2.08 3.07 4.64 -1.96 -3.42 113.55 113.92 2dml h SER 16 Ca 0.12 0.13 -0.21 0.00 -0.47 0.00 0.00 61.79 61.35 2dml h SER 16 Cb 0.02 0.24 0.13 0.00 -0.31 0.00 0.00 62.40 62.48 2dml h SER 16 CO -0.02 -0.11 -0.10 0.47 -0.87 0.00 0.00 176.83 176.20 2dml n ASP 17 N -5.28 -3.22 0.11 4.97 9.92 -1.01 -4.93 116.55 117.12 2dml n ASP 17 Ca 0.04 -0.51 0.08 0.00 -0.53 0.00 0.00 54.79 53.87 2dml n ASP 17 Cb 0.26 -0.62 0.01 0.00 -0.64 0.00 0.00 41.12 40.13 2dml n ASP 17 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2dml h ASP 18 N -2.93 0.00 -3.36 -2.24 5.19 -1.84 -3.46 116.42 107.77 2dml h ASP 18 Ca -0.23 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.65 2dml h ASP 18 Cb 0.78 0.00 0.04 0.00 0.18 0.00 0.00 39.33 40.33 2dml h ASP 18 CO 0.14 0.20 0.70 -0.69 -3.12 0.00 0.00 179.24 176.47 2dml s VAL 19 N -3.18 2.99 -0.22 -1.35 1.01 -1.26 -4.81 120.40 113.58 2dml s VAL 19 Ca 0.01 0.81 -0.20 0.00 0.00 0.00 0.00 61.98 62.60 2dml s VAL 19 Cb 0.08 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 2dml s VAL 19 CO 0.77 0.12 0.62 -0.63 0.00 0.00 0.00 175.10 175.98 2dml s ILE 20 N 0.11 5.02 -0.56 2.22 1.01 -0.97 -4.71 121.20 123.31 2dml s ILE 20 Ca 0.58 1.14 -0.26 0.00 0.00 0.00 0.00 60.65 62.11 2dml s ILE 20 Cb -0.39 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 2dml s ILE 20 CO 0.40 0.09 2.02 -0.70 0.00 0.00 0.00 174.94 176.75 2dml s GLU 21 N 2.07 2.50 0.02 2.79 2.12 -1.26 -1.78 118.70 125.17 2dml s GLU 21 Ca 0.27 0.88 -0.24 0.00 0.36 0.00 0.00 54.97 56.24 2dml s GLU 21 Cb -0.16 -4.44 -0.05 0.00 0.26 0.00 0.00 34.13 29.74 2dml s GLU 21 CO 0.10 -2.86 0.74 -0.51 -0.54 0.00 0.00 175.26 172.19 2dml s LEU 22 N 9.90 4.42 0.14 2.70 1.43 -0.75 -4.92 118.68 131.61 2dml s LEU 22 Ca 0.76 1.38 0.03 0.00 -1.03 0.00 0.00 54.13 55.27 2dml s LEU 22 Cb -0.14 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 2dml s LEU 22 CO 0.23 -0.00 -0.05 0.42 0.23 0.00 0.00 176.35 177.18 2dml s THR 23 N 0.09 0.83 -1.09 5.49 -4.23 -1.26 -4.45 115.64 111.02 2dml s THR 23 Ca 0.38 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 2dml s THR 23 Cb -0.20 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.73 2dml s THR 23 CO 0.22 -0.68 0.27 -0.81 -0.54 0.00 0.00 174.62 173.08 2dml n PRO 24 N -0.17 0.49 0.00 3.99 -0.04 -1.26 0.45 135.00 138.46 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 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 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 0.19 4.04 0.00 3.54 7.64 -1.26 -4.81 113.62 122.96 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 0.11 0.75 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 -1.28 3.45 -0.39 6.43 6.94 -0.82 -4.75 115.26 124.84 2dml n ASN 26 Ca 0.00 0.00 0.33 0.00 -0.02 0.00 0.00 54.58 54.89 2dml n ASN 26 Cb 0.06 0.67 0.55 0.00 -2.36 0.00 0.00 39.78 38.70 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 -1.07 0.51 0.09 -2.53 -0.00 0.17 0.23 117.46 114.87 2dml n PHE 27 Ca 0.00 0.52 -0.22 0.00 -0.00 0.00 0.00 57.45 57.75 2dml n PHE 27 Cb 0.02 -0.93 -0.15 0.00 -0.00 0.00 0.00 39.48 38.42 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 0.62 0.59 -2.13 -1.24 -1.86 0.57 115.58 112.13 2dml h ASN 28 Ca 0.70 -0.93 0.00 0.00 0.71 0.00 0.00 56.30 56.78 2dml h ASN 28 Cb 2.32 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 41.17 2dml h ASN 28 CO -0.34 1.56 0.00 0.54 -1.29 0.00 0.00 177.43 177.90 2dml n ARG 29 N -3.93 0.39 -0.09 6.67 3.00 0.63 0.24 116.66 123.57 2dml n ARG 29 Ca -0.17 0.01 -0.18 0.00 -0.01 0.00 0.00 57.85 57.50 2dml n ARG 29 Cb 0.95 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.85 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 -1.30 0.37 -0.04 5.56 -0.58 0.44 -4.56 120.64 120.53 2dml n GLU 30 Ca 0.13 0.16 -0.04 0.00 -0.42 0.00 0.00 57.16 56.99 2dml n GLU 30 Cb 0.24 -1.14 -0.01 0.00 -0.57 0.00 0.00 31.44 29.96 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 -3.71 0.73 -0.30 2.62 0.31 0.16 -4.12 118.33 114.01 2dml n VAL 31 Ca -0.34 0.33 0.25 0.00 -0.01 0.00 0.00 64.34 64.56 2dml n VAL 31 Cb 0.75 -1.92 0.56 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 -0.49 0.52 -0.75 2.52 1.08 -1.15 0.65 117.51 119.89 2dml h ILE 32 Ca 0.00 -0.11 -0.39 0.00 -0.39 0.00 0.00 64.86 63.97 2dml h ILE 32 Cb 0.46 0.19 -0.23 0.00 -3.07 0.00 0.00 36.82 34.17 2dml h ILE 32 CO 0.00 0.06 0.50 0.00 -0.69 0.00 0.00 178.15 178.02 2dml n GLN 33 N -4.52 1.95 -3.72 2.37 1.13 0.65 -4.73 117.38 110.52 2dml n GLN 33 Ca 0.24 -2.28 -0.30 0.00 -1.94 0.00 0.00 57.00 52.73 2dml n GLN 33 Cb 0.92 -1.89 -0.14 0.00 0.11 0.00 0.00 30.24 29.24 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 -0.74 3.82 0.62 1.08 0.15 0.23 -4.81 113.70 114.04 2dml s SER 34 Ca 0.43 -2.15 0.26 0.00 0.70 0.00 0.00 55.95 55.19 2dml s SER 34 Cb 0.36 -0.94 1.41 0.00 -1.71 0.00 0.00 66.02 65.14 2dml s SER 34 CO 0.08 -0.34 1.78 -0.78 1.20 0.00 0.00 173.24 175.18 2dml h ASP 35 N 7.38 0.00 -1.98 5.45 3.58 -1.85 -3.41 116.42 125.59 2dml h ASP 35 Ca -0.06 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2dml h ASP 35 Cb 0.97 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.03 2dml h ASP 35 CO 0.46 0.00 0.01 0.61 -2.88 0.00 0.00 179.24 177.45 2dml n GLY 36 N -1.24 -1.36 3.78 -0.78 0.00 -1.26 -4.99 105.19 99.34 2dml n GLY 36 Ca -0.02 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 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 4.52 -0.06 0.99 2.96 -1.26 -4.71 118.68 121.12 2dml s LEU 37 Ca 0.03 1.39 0.01 0.00 -0.22 0.00 0.00 54.13 55.34 2dml s LEU 37 Cb -0.00 -3.06 0.02 0.00 0.50 0.00 0.00 46.19 43.64 2dml s LEU 37 CO 0.02 0.20 -0.08 0.26 -1.32 0.00 0.00 176.35 175.43 2dml s TRP 38 N -0.86 1.09 -0.40 5.38 0.52 -0.86 -1.47 118.94 122.33 2dml s TRP 38 Ca 0.32 -0.37 -0.05 0.00 0.02 0.00 0.00 56.10 56.02 2dml s TRP 38 Cb -0.21 -0.87 0.10 0.00 -1.15 0.00 0.00 33.47 31.34 2dml s TRP 38 CO 0.21 -0.24 0.21 -0.51 0.02 0.00 0.00 176.95 176.64 2dml s LEU 39 N 0.86 5.11 -0.24 2.99 1.43 0.19 -0.27 118.68 128.76 2dml s LEU 39 Ca -0.12 -1.82 -0.09 0.00 -1.03 0.00 0.00 54.13 51.08 2dml s LEU 39 Cb -0.15 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 2dml s LEU 39 CO 0.01 -0.52 0.11 -0.69 0.23 0.00 0.00 176.35 175.49 2dml s VAL 40 N 1.24 4.78 -0.22 -1.59 1.01 -0.68 -1.27 120.40 123.67 2dml s VAL 40 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 2dml s VAL 40 Cb -0.23 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 32.93 2dml s VAL 40 CO -0.02 0.35 -0.09 -0.70 0.00 0.00 0.00 175.10 174.64 2dml s GLU 41 N 1.30 3.14 -0.66 2.72 -6.30 -1.26 -0.17 118.70 117.47 2dml s GLU 41 Ca 0.06 -0.77 -0.25 0.00 -2.50 0.00 0.00 54.97 51.50 2dml s GLU 41 Cb -0.15 -2.90 0.04 0.00 0.00 0.00 0.00 34.13 31.13 2dml s GLU 41 CO 0.05 -0.26 1.11 -0.06 0.02 0.00 0.00 175.26 176.13 2dml s PHE 42 N 1.39 2.53 0.49 5.30 0.40 0.80 -2.47 117.98 126.42 2dml s PHE 42 Ca 0.04 -0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.31 2dml s PHE 42 Cb -0.15 -4.42 0.01 0.00 0.51 0.00 0.00 43.02 38.98 2dml s PHE 42 CO -0.06 -1.76 0.41 1.52 0.70 0.00 0.00 175.22 176.03 2dml s TYR 43 N 4.82 2.06 -0.07 0.36 -0.85 -0.85 -2.01 117.35 120.81 2dml s TYR 43 Ca 0.31 -0.69 -0.01 0.00 -0.52 0.00 0.00 57.07 56.16 2dml s TYR 43 Cb -0.11 -2.03 0.03 0.00 0.38 0.00 0.00 41.96 40.22 2dml s TYR 43 CO 0.16 -0.36 -0.00 0.00 -1.52 0.00 0.00 175.55 173.82 2dml s ALA 44 N -2.65 0.68 -2.00 9.51 0.00 -1.26 -0.22 121.76 125.83 2dml s ALA 44 Ca 0.42 -0.11 0.09 0.00 0.00 0.00 0.00 51.96 52.36 2dml s ALA 44 Cb -0.02 -0.69 0.56 0.00 0.00 0.00 0.00 23.12 22.97 2dml s ALA 44 CO 0.25 -0.39 1.00 -0.35 0.00 0.00 0.00 175.76 176.27 2dml n PRO 45 N 4.97 0.49 -0.00 0.00 -0.04 -1.26 -1.94 135.00 137.22 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 -1.30 -0.03 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 -0.80 0.00 -2.11 0.54 4.27 -1.26 -5.03 117.44 113.05 2dml n TRP 46 Ca 0.07 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.41 2dml n TRP 46 Cb 0.03 -0.06 0.10 0.00 -1.36 0.00 0.00 31.31 30.03 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 -3.19 -0.36 0.54 0.00 0.00 -1.26 -3.94 105.19 96.98 2dml n GLY 48 Ca 0.10 0.00 0.36 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 0.10 0.03 1.61 -0.00 -1.96 0.17 115.15 115.11 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 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.38 2dml h HIS 49 CO 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 177.93 177.91 2dml h GLN 51 N -0.25 0.00 -0.01 0.00 4.20 -0.79 0.53 115.11 118.79 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 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2dml h GLN 51 CO 0.01 0.00 -0.12 0.54 -0.67 0.00 0.00 178.83 178.58 2dml n ARG 52 N -3.08 0.97 -0.20 1.46 5.12 -0.94 -3.43 116.66 116.56 2dml n ARG 52 Ca -0.02 -0.45 0.10 0.00 -1.93 0.00 0.00 57.85 55.54 2dml n ARG 52 Cb 0.13 -1.49 0.20 0.00 -1.16 0.00 0.00 32.46 30.14 2dml n ARG 52 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2dml n LEU 53 N -0.62 3.27 0.07 0.55 7.94 0.17 -4.50 117.00 123.88 2dml n LEU 53 Ca 0.15 -1.64 -0.13 0.00 -1.11 0.00 0.00 56.01 53.29 2dml n LEU 53 Cb 0.30 -0.26 -0.09 0.00 0.53 0.00 0.00 43.42 43.91 2dml n LEU 53 CO 0.22 0.74 0.64 0.74 -1.11 0.00 0.00 177.39 178.62 2dml h THR 54 N 3.66 1.03 -0.16 1.96 2.02 -1.60 -0.04 112.91 119.78 2dml h THR 54 Ca 0.00 -0.72 -0.13 0.00 0.77 0.00 0.00 66.41 66.33 2dml h THR 54 Cb 0.87 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 2dml h THR 54 CO 0.00 0.17 -0.45 1.55 0.37 0.00 0.00 175.52 177.16 2dml h PRO 55 N -0.52 0.38 -0.11 6.66 0.13 -1.84 -1.49 132.00 135.22 2dml h PRO 55 Ca -0.02 -0.20 -0.09 0.00 -0.87 0.00 0.00 66.00 64.82 2dml h PRO 55 Cb 0.41 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.55 2dml h PRO 55 CO 0.03 0.76 -0.28 0.93 -0.23 0.00 0.00 178.00 179.21 2dml h GLU 56 N 0.31 0.38 -0.46 0.86 5.08 -1.78 -2.28 114.58 116.69 2dml h GLU 56 Ca 0.02 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 2dml h GLU 56 Cb 0.92 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 2dml h GLU 56 CO 0.08 0.88 -0.01 2.35 -1.00 0.00 0.00 179.01 181.30 2dml h TRP 57 N -0.05 0.90 0.17 4.33 -0.00 -1.00 -1.73 115.95 118.57 2dml h TRP 57 Ca -0.00 -0.16 -0.01 0.00 -0.00 0.00 0.00 58.89 58.72 2dml h TRP 57 Cb 0.89 -0.23 0.00 0.00 -0.00 0.00 0.00 29.16 29.82 2dml h TRP 57 CO 0.11 0.87 -0.08 0.87 -0.00 0.00 0.00 178.44 180.21 2dml h LYS 58 N 0.67 -0.23 -0.72 2.65 1.57 -1.32 -2.46 116.57 116.73 2dml h LYS 58 Ca 0.13 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.06 2dml h LYS 58 Cb 0.52 0.05 -0.13 0.00 0.08 0.00 0.00 32.23 32.75 2dml h LYS 58 CO 0.03 -0.14 -0.28 0.87 -0.57 0.00 0.00 179.45 179.36 2dml h LYS 59 N -0.25 -0.07 -0.86 3.15 1.57 -1.39 0.43 116.57 119.15 2dml h LYS 59 Ca -0.02 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2dml h LYS 59 Cb 0.19 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 2dml h LYS 59 CO 0.04 -0.05 0.57 0.00 -0.57 0.00 0.00 179.45 179.44 2dml h ALA 60 N 1.38 1.47 -0.38 3.86 0.00 -1.45 -1.58 119.26 122.57 2dml h ALA 60 Ca 0.31 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2dml h ALA 60 Cb 0.56 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2dml h ALA 60 CO -0.77 0.45 0.02 0.00 0.00 0.00 0.00 179.25 178.95 2dml h ALA 61 N 1.50 1.34 -0.71 0.00 0.00 0.25 0.18 119.26 121.82 2dml h ALA 61 Ca 0.34 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2dml h ALA 61 Cb 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2dml h ALA 61 CO -0.10 0.46 0.16 1.15 0.00 0.00 0.00 179.25 180.92 2dml h THR 62 N 0.56 1.26 0.11 0.00 2.02 -0.06 1.36 112.91 118.16 2dml h THR 62 Ca 0.12 -0.98 -0.17 0.00 0.77 0.00 0.00 66.41 66.15 2dml h THR 62 Cb 0.32 0.54 0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2dml h THR 62 CO 0.01 0.38 -0.72 0.00 0.37 0.00 0.00 175.52 175.56 2dml h ALA 63 N 1.10 -0.07 -0.09 6.16 0.00 -1.22 -3.27 119.26 121.86 2dml h ALA 63 Ca 0.22 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2dml h ALA 63 Cb 0.38 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2dml h ALA 63 CO 0.00 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.87 2dml n LEU 64 N -4.18 1.10 -0.29 0.00 4.77 0.59 -4.24 117.00 114.76 2dml n LEU 64 Ca -0.13 -0.44 0.10 0.00 -0.03 0.00 0.00 56.01 55.51 2dml n LEU 64 Cb 0.77 -0.06 0.24 0.00 -2.33 0.00 0.00 43.42 42.04 2dml n LEU 64 CO 0.47 0.22 0.88 0.50 -1.33 0.00 0.00 177.39 178.13 2dml h LYS 65 N 1.50 0.14 0.00 3.23 3.64 0.18 1.59 116.57 126.85 2dml h LYS 65 Ca 0.00 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2dml h LYS 65 Cb 0.33 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2dml h LYS 65 CO 0.00 0.09 -1.61 -0.25 -2.27 0.00 0.00 179.45 175.41 2dml n ASP 66 N -5.30 0.45 -0.02 4.20 8.00 -1.26 -4.59 116.55 118.03 2dml n ASP 66 Ca 0.18 0.18 -0.01 0.00 0.71 0.00 0.00 54.79 55.86 2dml n ASP 66 Cb 0.61 1.02 -0.00 0.00 -0.02 0.00 0.00 41.12 42.72 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 -3.26 2.53 2.07 -1.18 -3.47 116.25 112.94 2dml h VAL 67 Ca -0.09 -0.32 -0.65 0.00 0.82 0.00 0.00 66.70 66.46 2dml h VAL 67 Cb 1.26 0.00 -0.34 0.00 -1.52 0.00 0.00 31.29 30.69 2dml h VAL 67 CO 0.01 0.00 -0.86 -0.69 0.02 0.00 0.00 177.57 176.05 2dml s VAL 68 N -1.27 1.89 -0.64 2.57 1.01 0.53 -4.67 120.40 119.82 2dml s VAL 68 Ca -0.02 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.81 2dml s VAL 68 Cb 0.00 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2dml s VAL 68 CO 0.03 0.52 2.00 -0.54 0.00 0.00 0.00 175.10 177.11 2dml s LYS 69 N 0.73 2.46 -0.64 2.72 -0.14 -0.54 -3.95 119.74 120.39 2dml s LYS 69 Ca -0.10 0.61 -0.20 0.00 -1.36 0.00 0.00 55.97 54.93 2dml s LYS 69 Cb -0.16 -4.55 0.10 0.00 -1.68 0.00 0.00 37.83 31.54 2dml s LYS 69 CO 0.01 -3.02 0.80 0.08 -0.76 0.00 0.00 175.35 172.46 2dml s VAL 70 N 10.11 4.71 0.00 3.17 1.01 -1.26 -0.63 120.40 137.50 2dml s VAL 70 Ca 0.75 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2dml s VAL 70 Cb -0.13 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.69 2dml s VAL 70 CO 0.18 -1.24 0.00 0.61 0.00 0.00 0.00 175.10 174.65 2dml n GLY 71 N 5.27 1.35 3.61 4.51 0.00 -0.39 -2.30 105.19 117.23 2dml n GLY 71 Ca -0.05 -1.80 -0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.16 -2.48 -0.12 4.61 0.00 -0.73 -4.29 121.76 115.60 2dml s ALA 72 Ca 0.00 2.11 0.02 0.00 0.00 0.00 0.00 51.96 54.09 2dml s ALA 72 Cb 0.00 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.28 2dml s ALA 72 CO 0.00 -0.42 -0.18 0.08 0.00 0.00 0.00 175.76 175.24 2dml s VAL 73 N 1.38 1.73 -0.86 0.00 1.01 -1.03 -1.80 120.40 120.83 2dml s VAL 73 Ca -0.08 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 60.87 2dml s VAL 73 Cb -0.03 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.81 2dml s VAL 73 CO -0.14 0.49 1.59 0.21 0.00 0.00 0.00 175.10 177.25 2dml s ASN 74 N 0.88 5.90 0.36 3.32 2.47 -1.26 -2.01 114.94 124.59 2dml s ASN 74 Ca -0.08 -0.73 0.17 0.00 0.42 0.00 0.00 52.86 52.64 2dml s ASN 74 Cb -0.15 -2.56 1.13 0.00 -1.45 0.00 0.00 41.25 38.22 2dml s ASN 74 CO -0.01 -2.02 1.67 0.00 -3.72 0.00 0.00 177.10 173.02 2dml h ALA 75 N 11.04 2.08 -0.08 1.71 0.00 -0.88 1.01 119.26 134.14 2dml h ALA 75 Ca -0.02 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2dml h ALA 75 Cb 1.04 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2dml h ALA 75 CO 1.31 -0.67 0.05 0.22 0.00 0.00 0.00 179.25 180.15 2dml h ASP 76 N 0.30 0.09 0.07 0.00 3.58 -1.89 -1.42 116.42 117.15 2dml h ASP 76 Ca 0.73 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 58.13 2dml h ASP 76 Cb 1.77 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.80 2dml h ASP 76 CO -0.55 0.12 -0.03 0.50 -2.88 0.00 0.00 179.24 176.39 2dml h LYS 77 N 0.06 -0.09 -1.96 0.28 3.64 -0.89 -3.33 116.57 114.28 2dml h LYS 77 Ca 0.03 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 2dml h LYS 77 Cb 0.04 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 2dml h LYS 77 CO -0.00 -0.03 -0.09 0.72 -2.27 0.00 0.00 179.45 177.77 2dml n HIS 78 N -4.83 0.18 -0.33 1.91 8.25 0.31 -4.58 115.22 116.13 2dml n HIS 78 Ca -0.01 -1.29 0.22 0.00 -0.26 0.00 0.00 57.72 56.38 2dml n HIS 78 Cb 0.05 -0.97 0.45 0.00 1.12 0.00 0.00 29.99 30.63 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 1.85 0.24 -0.34 -0.41 1.08 -1.38 0.36 115.11 116.52 2dml h GLN 79 Ca 0.11 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.32 2dml h GLN 79 Cb 1.17 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.52 2dml h GLN 79 CO 0.18 0.16 0.17 0.77 -0.95 0.00 0.00 178.83 179.16 2dml h SER 80 N 0.25 0.25 0.46 1.46 0.02 -1.85 -1.67 113.55 112.47 2dml h SER 80 Ca 0.71 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.67 2dml h SER 80 Cb 1.62 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 64.11 2dml h SER 80 CO -0.65 0.19 -0.47 -0.07 -1.14 0.00 0.00 176.83 174.69 2dml h LEU 81 N 0.35 -1.29 0.11 5.07 3.38 -0.67 0.44 115.31 122.69 2dml h LEU 81 Ca 0.14 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.23 2dml h LEU 81 Cb 0.05 0.43 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2dml h LEU 81 CO -0.10 -0.63 -0.47 1.23 0.09 0.00 0.00 178.44 178.57 2dml h GLY 82 N -0.94 -1.17 0.93 0.83 0.00 -1.35 -1.99 103.07 99.38 2dml h GLY 82 Ca -0.05 0.64 0.08 0.00 0.00 0.00 0.00 47.33 47.99 2dml h GLY 82 CO -0.07 -0.29 0.51 -1.33 0.00 0.00 0.00 176.54 175.36 2dml h GLY 83 N -0.67 1.04 1.70 4.60 0.00 -1.26 0.15 103.07 108.63 2dml h GLY 83 Ca -0.01 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.02 2dml h GLY 83 CO -0.26 0.21 0.14 -1.61 0.00 0.00 0.00 176.54 175.02 2dml h GLN 84 N 0.78 0.00 0.00 4.80 4.15 0.63 -2.47 115.11 123.00 2dml h GLN 84 Ca 0.34 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.47 2dml h GLN 84 Cb 0.33 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.97 2dml h GLN 84 CO -0.12 0.00 -2.10 0.66 -1.93 0.00 0.00 178.83 175.33 2dml n TYR 85 N -3.24 0.00 0.00 3.99 4.02 -0.03 -5.03 117.16 116.87 2dml n TYR 85 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 2dml n TYR 85 Cb 0.21 -0.76 0.00 0.00 -0.02 0.00 0.00 39.34 38.78 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 2.45 0.57 3.65 2.72 0.00 0.32 -5.07 105.19 109.83 2dml n GLY 86 Ca -0.33 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.89 5.26 0.00 1.61 1.01 -0.62 -4.91 120.40 121.86 2dml s VAL 87 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2dml s VAL 87 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2dml s VAL 87 CO 0.00 0.27 0.00 0.00 0.00 0.00 0.00 175.10 175.37 2dml n GLN 88 N 4.55 0.99 -4.10 2.72 3.00 -1.26 -4.30 117.38 118.98 2dml n GLN 88 Ca -0.11 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.65 2dml n GLN 88 Cb 0.51 -0.93 -0.17 0.00 0.00 0.00 0.00 30.24 29.66 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 -3.52 0.62 0.28 1.08 0.00 -1.26 -5.14 107.32 99.37 2dml s GLY 89 Ca 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 44.72 44.51 2dml s GLY 89 CO 0.00 0.62 0.41 -1.36 0.00 0.00 0.00 173.10 172.77 2dml s PHE 90 N 1.30 3.31 0.51 1.90 0.08 -1.26 -4.17 117.98 119.65 2dml s PHE 90 Ca -0.04 -0.10 -0.21 0.00 0.12 0.00 0.00 56.93 56.71 2dml s PHE 90 Cb -0.14 -1.75 -0.06 0.00 -0.57 0.00 0.00 43.02 40.50 2dml s PHE 90 CO -0.02 0.25 1.14 -1.25 -0.10 0.00 0.00 175.22 175.24 2dml s PRO 91 N -4.06 3.51 -0.30 0.24 0.04 -1.26 -4.89 135.00 128.26 2dml s PRO 91 Ca 0.39 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 63.09 2dml s PRO 91 Cb -0.09 -2.15 0.10 0.00 0.04 0.00 0.00 34.50 32.39 2dml s PRO 91 CO 0.30 -0.74 0.09 0.99 0.04 0.00 0.00 177.00 177.68 2dml s THR 92 N -1.69 0.94 -0.05 1.26 2.01 -0.85 -4.99 115.64 112.27 2dml s THR 92 Ca 0.69 -1.40 -0.19 0.00 0.31 0.00 0.00 61.69 61.10 2dml s THR 92 Cb -0.26 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.51 2dml s THR 92 CO 0.30 -0.64 0.54 -0.63 -0.69 0.00 0.00 174.62 173.50 2dml s ILE 93 N 1.59 5.03 -0.03 1.82 1.01 -1.26 -0.14 121.20 129.22 2dml s ILE 93 Ca 0.09 1.11 0.05 0.00 0.00 0.00 0.00 60.65 61.90 2dml s ILE 93 Cb -0.17 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 2dml s ILE 93 CO -0.23 0.39 -0.16 -0.54 0.00 0.00 0.00 174.94 174.39 2dml s LYS 94 N 0.09 1.50 -0.14 2.79 -0.14 0.77 -2.56 119.74 122.04 2dml s LYS 94 Ca 0.29 -0.58 -0.07 0.00 -1.36 0.00 0.00 55.97 54.25 2dml s LYS 94 Cb -0.17 -1.38 -0.04 0.00 -1.68 0.00 0.00 37.83 34.56 2dml s LYS 94 CO 0.14 0.29 0.12 0.42 -0.76 0.00 0.00 175.35 175.57 2dml s ILE 95 N -0.17 5.35 -0.14 2.17 1.01 -0.88 -1.69 121.20 126.84 2dml s ILE 95 Ca 0.02 0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.83 2dml s ILE 95 Cb -0.09 -3.35 -0.00 0.00 0.01 0.00 0.00 42.46 39.03 2dml s ILE 95 CO 0.01 0.57 -0.17 -0.36 0.00 0.00 0.00 174.94 174.99 2dml s PHE 96 N -0.65 2.74 0.00 3.97 0.40 0.63 -0.79 117.98 124.28 2dml s PHE 96 Ca 0.13 -0.99 0.00 0.00 -0.60 0.00 0.00 56.93 55.46 2dml s PHE 96 Cb -0.12 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.57 2dml s PHE 96 CO 0.02 -0.43 0.00 0.41 0.70 0.00 0.00 175.22 175.93 2dml n GLY 97 N 3.88 -1.56 0.25 4.36 0.00 -1.26 -2.04 105.19 108.81 2dml n GLY 97 Ca -0.19 0.61 -0.08 0.00 0.00 0.00 0.00 46.02 46.36 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 1.83 -0.63 -3.47 4.61 0.00 -1.93 -3.36 119.26 116.31 2dml h ALA 98 Ca 0.00 -0.02 -0.68 0.00 0.00 0.00 0.00 54.91 54.21 2dml h ALA 98 Cb 0.00 0.85 -0.37 0.00 0.00 0.00 0.00 17.79 18.27 2dml h ALA 98 CO 0.00 -0.75 -0.66 1.21 0.00 0.00 0.00 179.25 179.05 2dml s ASN 99 N -3.85 4.95 0.65 0.00 2.47 -1.26 -4.95 114.94 112.95 2dml s ASN 99 Ca -0.08 -2.00 0.37 0.00 0.42 0.00 0.00 52.86 51.57 2dml s ASN 99 Cb 0.04 -1.71 2.02 0.00 -1.45 0.00 0.00 41.25 40.15 2dml s ASN 99 CO 0.32 -0.42 2.19 0.11 -3.72 0.00 0.00 177.10 175.58 2dml h LYS 100 N 7.82 0.00 0.00 0.43 1.79 -1.95 0.12 116.57 124.78 2dml h LYS 100 Ca -0.10 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.19 2dml h LYS 100 Cb 1.03 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.66 2dml h LYS 100 CO 0.59 0.00 -0.96 -0.91 -1.08 0.00 0.00 179.45 177.09 2dml h ASN 101 N 0.00 0.00 -3.03 0.86 -0.26 -1.95 -3.42 115.58 107.78 2dml h ASN 101 Ca 0.02 0.00 -0.58 0.00 -0.56 0.00 0.00 56.30 55.18 2dml h ASN 101 Cb 0.29 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 37.15 2dml h ASN 101 CO -0.00 0.83 -0.78 -0.54 -1.06 0.00 0.00 177.43 175.88 2dml s LYS 102 N -2.79 0.71 1.10 0.81 1.02 0.42 -5.07 119.74 115.94 2dml s LYS 102 Ca 0.01 -1.26 -0.15 0.00 0.02 0.00 0.00 55.97 54.59 2dml s LYS 102 Cb 0.09 -1.74 0.24 0.00 -0.52 0.00 0.00 37.83 35.90 2dml s LYS 102 CO 0.80 -1.09 1.10 -1.25 -0.92 0.00 0.00 175.35 173.99 2dml s PRO 103 N 1.27 -0.37 0.24 -1.68 0.04 -1.21 -4.35 135.00 128.94 2dml s PRO 103 Ca 0.14 0.23 0.06 0.00 0.04 0.00 0.00 61.00 61.46 2dml s PRO 103 Cb -0.20 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 2dml s PRO 103 CO -0.15 -3.21 0.31 -1.21 0.04 0.00 0.00 177.00 172.78 2dml s GLU 104 N -5.17 3.28 -0.43 4.56 0.41 0.03 -4.88 118.70 116.50 2dml s GLU 104 Ca 0.68 -0.85 -0.29 0.00 -0.41 0.00 0.00 54.97 54.10 2dml s GLU 104 Cb -0.15 -2.79 0.03 0.00 -1.78 0.00 0.00 34.13 29.44 2dml s GLU 104 CO 0.57 0.42 1.13 0.16 -0.49 0.00 0.00 175.26 177.05 2dml s ASP 105 N -3.93 6.72 -0.61 -0.19 -4.77 -1.26 -2.08 116.67 110.55 2dml s ASP 105 Ca 0.34 0.65 -0.26 0.00 -3.30 0.00 0.00 52.55 49.98 2dml s ASP 105 Cb -0.09 -2.55 -0.07 0.00 -1.09 0.00 0.00 42.92 39.12 2dml s ASP 105 CO 0.28 -1.15 2.28 -0.47 0.70 0.00 0.00 175.17 176.81 2dml s TYR 106 N 4.24 1.24 -0.44 2.11 5.04 -1.06 -4.78 117.35 123.70 2dml s TYR 106 Ca 0.48 1.46 0.04 0.00 -2.44 0.00 0.00 57.07 56.61 2dml s TYR 106 Cb -0.09 -3.67 0.62 0.00 0.35 0.00 0.00 41.96 39.17 2dml s TYR 106 CO 0.27 -2.22 1.84 0.94 -1.34 0.00 0.00 175.55 175.04 2dml n GLN 107 N 8.99 2.24 -4.42 4.97 7.27 -1.26 -4.85 117.38 130.32 2dml n GLN 107 Ca 0.36 -3.09 -0.30 0.00 0.07 0.00 0.00 57.00 54.05 2dml n GLN 107 Cb 0.51 -2.13 -0.06 0.00 2.41 0.00 0.00 30.24 30.98 2dml n GLN 107 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2dml s GLY 108 N -1.60 2.73 0.02 1.69 0.00 -1.26 -5.08 107.32 103.82 2dml s GLY 108 Ca 0.56 -0.92 -0.30 0.00 0.00 0.00 0.00 44.72 44.06 2dml s GLY 108 CO 0.08 -2.09 1.74 -0.32 0.00 0.00 0.00 173.10 172.51 2dml s GLY 109 N -4.00 1.51 -0.05 0.20 0.00 -1.26 -4.86 107.32 98.86 2dml s GLY 109 Ca 0.19 1.15 0.00 0.00 0.00 0.00 0.00 44.72 46.06 2dml s GLY 109 CO 0.11 3.11 1.65 -0.96 0.00 0.00 0.00 173.10 177.01 2dml n ARG 110 N 6.68 1.14 -4.51 2.90 1.85 -1.26 -2.42 116.66 121.04 2dml n ARG 110 Ca 0.17 -0.29 -0.34 0.00 -1.00 0.00 0.00 57.85 56.40 2dml n ARG 110 Cb 0.41 -1.11 -0.11 0.00 -1.05 0.00 0.00 32.46 30.61 2dml n ARG 110 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2dml s THR 111 N -0.38 3.95 0.44 8.89 -4.23 -1.26 -4.63 115.64 118.41 2dml s THR 111 Ca 0.06 -0.38 0.37 0.00 -1.18 0.00 0.00 61.69 60.56 2dml s THR 111 Cb 0.04 -2.64 0.55 0.00 1.34 0.00 0.00 72.50 71.80 2dml s THR 111 CO 0.00 0.59 1.35 0.61 -0.54 0.00 0.00 174.62 176.63 2dml n GLY 112 N 2.29 -0.80 0.03 3.99 0.00 -0.66 -0.07 105.19 109.97 2dml n GLY 112 Ca -0.18 0.62 -0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.00 -0.60 1.61 5.08 -1.92 -3.23 114.58 115.52 2dml h GLU 113 Ca 0.79 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 59.28 2dml h GLU 113 Cb 2.93 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 32.07 2dml h GLU 113 CO -0.18 -0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 177.82 2dml h ALA 114 N -1.39 0.57 -0.69 3.43 0.00 -1.21 -0.63 119.26 119.34 2dml h ALA 114 Ca -0.00 0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.24 2dml h ALA 114 Cb 0.00 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 18.02 2dml h ALA 114 CO 0.00 -0.40 0.13 0.82 0.00 0.00 0.00 179.25 179.80 2dml h ILE 115 N 0.10 0.52 -0.92 0.00 2.04 -0.13 0.23 117.51 119.36 2dml h ILE 115 Ca 0.31 -0.08 0.15 0.00 1.00 0.00 0.00 64.86 66.24 2dml h ILE 115 Cb 0.50 0.27 -0.08 0.00 -0.74 0.00 0.00 36.82 36.77 2dml h ILE 115 CO -0.52 0.04 0.59 0.58 0.00 0.00 0.00 178.15 178.84 2dml h VAL 116 N 0.23 0.82 0.16 1.67 2.07 -1.13 0.22 116.25 120.29 2dml h VAL 116 Ca 0.38 -0.24 -0.30 0.00 0.82 0.00 0.00 66.70 67.36 2dml h VAL 116 Cb 0.63 0.04 0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2dml h VAL 116 CO -0.50 0.13 -1.30 -0.78 0.02 0.00 0.00 177.57 175.14 2dml h ASP 117 N 0.71 0.73 -0.25 0.57 1.82 -0.56 -3.08 116.42 116.36 2dml h ASP 117 Ca 0.47 -0.72 -0.02 0.00 -0.39 0.00 0.00 57.03 56.37 2dml h ASP 117 Cb 0.74 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 2dml h ASP 117 CO -0.23 1.55 0.08 0.00 -1.61 0.00 0.00 179.24 179.04 2dml h ALA 118 N 0.36 0.32 -0.24 -0.78 0.00 0.45 -0.95 119.26 118.42 2dml h ALA 118 Ca -0.19 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.60 2dml h ALA 118 Cb 1.99 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 2dml h ALA 118 CO 0.24 -0.06 0.11 0.00 0.00 0.00 0.00 179.25 179.54 2dml h ALA 119 N 0.92 0.28 0.36 0.00 0.00 -0.72 -2.23 119.26 117.87 2dml h ALA 119 Ca 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2dml h ALA 119 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2dml h ALA 119 CO -0.00 -0.30 -0.18 -0.07 0.00 0.00 0.00 179.25 178.70 2dml h LEU 120 N 0.23 -0.41 -1.41 0.00 3.38 -1.46 0.17 115.31 115.81 2dml h LEU 120 Ca 0.10 -0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.34 2dml h LEU 120 Cb 0.04 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 2dml h LEU 120 CO -0.08 -0.27 0.69 -1.28 0.09 0.00 0.00 178.44 177.60 2dml h SER 121 N -0.53 0.40 0.55 -0.43 0.87 -1.05 0.23 113.55 113.60 2dml h SER 121 Ca -0.05 0.08 -0.29 0.00 -1.23 0.00 0.00 61.79 60.30 2dml h SER 121 Cb 0.40 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2dml h SER 121 CO 0.08 0.06 -1.34 0.00 -0.53 0.00 0.00 176.83 175.10 2dml h ALA 122 N 1.61 0.12 -0.62 6.23 0.00 -0.95 -3.06 119.26 122.58 2dml h ALA 122 Ca 0.61 -0.94 0.12 0.00 0.00 0.00 0.00 54.91 54.70 2dml h ALA 122 Cb 1.63 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 19.39 2dml h ALA 122 CO -0.29 0.99 -0.21 1.25 0.00 0.00 0.00 179.25 180.99 2dml h LEU 123 N 0.08 -0.76 -0.27 0.00 7.12 0.25 -0.20 115.31 121.52 2dml h LEU 123 Ca -0.17 0.20 -0.21 0.00 0.13 0.00 0.00 57.88 57.83 2dml h LEU 123 Cb 2.00 0.45 0.00 0.00 -0.53 0.00 0.00 40.66 42.58 2dml h LEU 123 CO 0.20 -0.24 -0.82 0.08 -0.13 0.00 0.00 178.44 177.52 2dml h ARG 124 N -0.06 0.48 -0.59 1.25 0.11 -1.63 -3.29 114.38 110.65 2dml h ARG 124 Ca 0.29 -0.43 0.11 0.00 0.10 0.00 0.00 59.98 60.04 2dml h ARG 124 Cb 0.50 0.10 -0.11 0.00 1.11 0.00 0.00 29.97 31.57 2dml h ARG 124 CO -0.67 1.07 -0.32 1.03 0.10 0.00 0.00 179.97 181.19 2dml h SER 125 N 0.30 -1.11 -2.33 0.08 0.87 -0.94 -3.42 113.55 107.01 2dml h SER 125 Ca -0.05 0.22 -0.61 0.00 -1.23 0.00 0.00 61.79 60.12 2dml h SER 125 Cb 1.43 0.56 0.12 0.00 -0.44 0.00 0.00 62.40 64.06 2dml h SER 125 CO 0.15 -0.30 -0.01 0.61 -0.53 0.00 0.00 176.83 176.75 2dml n GLY 126 N -1.44 -0.58 0.00 5.77 0.00 -0.82 -4.83 105.19 103.29 2dml n GLY 126 Ca 0.04 0.28 0.07 0.00 0.00 0.00 0.00 46.02 46.41 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 0.68 0.00 -1.26 1.61 -0.04 -1.26 -4.86 135.00 129.87 2dml n PRO 127 Ca 0.11 0.26 -0.49 0.00 -0.04 0.00 0.00 63.50 63.34 2dml n PRO 127 Cb 0.33 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.21 2dml n PRO 127 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dml n SER 128 N -1.51 0.77 -3.58 3.54 7.64 -1.26 -4.90 113.62 114.33 2dml n SER 128 Ca 0.03 0.87 -0.08 0.00 1.01 0.00 0.00 58.87 60.70 2dml n SER 128 Cb 0.17 -0.65 -0.02 0.00 -1.01 0.00 0.00 64.21 62.70 2dml n SER 128 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dml s SER 129 N 1.91 -0.37 0.00 6.43 0.15 -1.26 -5.12 113.70 115.45 2dml s SER 129 Ca 0.76 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.25 2dml s SER 129 Cb -1.08 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 2dml s SER 129 CO 0.58 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.76