#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 1.27 -4.17 1.61 3.41 -1.26 -5.03 113.62 109.45 2dml n SER 2 Ca 0.00 0.22 -0.26 0.00 -0.26 0.00 0.00 58.87 58.57 2dml n SER 2 Cb 0.00 -0.52 -0.16 0.00 -0.26 0.00 0.00 64.21 63.28 2dml n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dml s SER 3 N -6.45 2.19 0.35 4.04 0.15 -1.26 -5.14 113.70 107.57 2dml s SER 3 Ca -0.23 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.08 2dml s SER 3 Cb 0.08 -0.34 -0.03 0.00 -1.71 0.00 0.00 66.02 64.03 2dml s SER 3 CO 0.30 0.21 0.55 -0.83 1.20 0.00 0.00 173.24 174.66 2dml s GLY 4 N -0.32 1.35 0.32 9.45 0.00 -1.26 -5.11 107.32 111.74 2dml s GLY 4 Ca 0.04 -0.94 -0.11 0.00 0.00 0.00 0.00 44.72 43.72 2dml s GLY 4 CO 0.00 -0.87 0.57 -0.45 0.00 0.00 0.00 173.10 172.35 2dml s SER 5 N -4.05 0.26 0.27 1.64 0.15 -1.26 -5.19 113.70 105.53 2dml s SER 5 Ca 0.40 -1.14 0.08 0.00 0.70 0.00 0.00 55.95 55.99 2dml s SER 5 Cb -0.10 0.69 -0.05 0.00 -1.71 0.00 0.00 66.02 64.85 2dml s SER 5 CO 0.36 -1.35 -0.11 -0.55 1.20 0.00 0.00 173.24 172.80 2dml s SER 6 N -3.10 2.99 0.34 5.45 0.15 -1.26 -5.16 113.70 113.11 2dml s SER 6 Ca 0.23 -1.13 0.07 0.00 0.70 0.00 0.00 55.95 55.82 2dml s SER 6 Cb -0.02 -0.21 -0.07 0.00 -1.71 0.00 0.00 66.02 64.01 2dml s SER 6 CO 0.13 -0.22 -0.02 -0.83 1.20 0.00 0.00 173.24 173.50 2dml s GLY 7 N -3.45 2.15 -0.02 9.45 0.00 -1.26 -5.11 107.32 109.09 2dml s GLY 7 Ca 0.28 -2.09 -0.30 0.00 0.00 0.00 0.00 44.72 42.61 2dml s GLY 7 CO 0.12 -1.95 1.32 0.00 0.00 0.00 0.00 173.10 172.59 2dml s ALA 8 N -2.91 3.54 0.59 3.20 0.00 -1.26 -5.03 121.76 119.90 2dml s ALA 8 Ca 0.33 0.79 0.09 0.00 0.00 0.00 0.00 51.96 53.17 2dml s ALA 8 Cb 0.06 -3.56 0.09 0.00 0.00 0.00 0.00 23.12 19.71 2dml s ALA 8 CO 0.15 -0.84 0.71 0.14 0.00 0.00 0.00 175.76 175.93 2dml s VAL 9 N 2.27 1.86 0.36 0.00 -7.23 -1.26 -5.09 120.40 111.31 2dml s VAL 9 Ca 0.61 -1.14 -0.26 0.00 -1.81 0.00 0.00 61.98 59.38 2dml s VAL 9 Cb -0.29 -2.00 -0.09 0.00 0.56 0.00 0.00 36.38 34.56 2dml s VAL 9 CO 0.25 0.00 1.10 -0.44 -0.31 0.00 0.00 175.10 175.69 2dml s SER 10 N -4.61 6.87 0.00 4.85 0.01 -1.26 -5.02 113.70 114.55 2dml s SER 10 Ca 0.54 2.19 0.00 0.00 1.31 0.00 0.00 55.95 59.99 2dml s SER 10 Cb -0.04 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2dml s SER 10 CO 0.34 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 174.19 2dml n GLY 11 N 0.70 1.96 0.33 3.44 0.00 -1.26 -5.00 105.19 105.36 2dml n GLY 11 Ca 0.03 0.30 0.14 0.00 0.00 0.00 0.00 46.02 46.49 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 0.06 0.00 0.99 3.38 -1.96 -3.42 115.31 114.36 2dml h LEU 12 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 2dml h LEU 12 Cb 0.00 -0.01 0.04 0.00 0.09 0.00 0.00 40.66 40.78 2dml h LEU 12 CO 0.00 0.04 -0.00 -1.22 0.09 0.00 0.00 178.44 177.35 2dml n TYR 13 N -4.46 -2.62 -3.65 1.13 4.02 -1.26 -5.07 117.16 105.26 2dml n TYR 13 Ca 0.05 -1.70 -0.15 0.00 -0.01 0.00 0.00 57.90 56.08 2dml n TYR 13 Cb 0.36 -0.53 -0.08 0.00 -0.02 0.00 0.00 39.34 39.08 2dml n TYR 13 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 2dml s SER 14 N -4.22 -0.47 0.56 7.72 0.01 -1.26 -5.02 113.70 111.01 2dml s SER 14 Ca 0.54 0.59 0.29 0.00 1.31 0.00 0.00 55.95 58.67 2dml s SER 14 Cb -0.04 0.60 1.46 0.00 0.21 0.00 0.00 66.02 68.25 2dml s SER 14 CO 0.35 -0.45 1.92 0.77 0.41 0.00 0.00 173.24 176.24 2dml h SER 15 N 3.87 0.00 -0.27 2.44 4.64 -2.00 -1.02 113.55 121.22 2dml h SER 15 Ca -0.28 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.09 2dml h SER 15 Cb 1.16 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.21 2dml h SER 15 CO 0.34 0.00 -0.03 0.77 -0.87 0.00 0.00 176.83 177.04 2dml h SER 16 N 0.00 -0.16 -2.02 4.97 4.64 -1.95 -3.43 113.55 115.59 2dml h SER 16 Ca 0.30 0.07 -0.19 0.00 -0.47 0.00 0.00 61.79 61.50 2dml h SER 16 Cb 1.34 0.13 0.12 0.00 -0.31 0.00 0.00 62.40 63.68 2dml h SER 16 CO -0.00 -0.05 -0.09 0.47 -0.87 0.00 0.00 176.83 176.28 2dml n ASP 17 N -5.19 -3.17 0.16 4.97 8.00 -0.39 -4.92 116.55 116.01 2dml n ASP 17 Ca -0.01 -0.47 0.12 0.00 0.71 0.00 0.00 54.79 55.15 2dml n ASP 17 Cb 0.15 -0.53 0.16 0.00 -0.02 0.00 0.00 41.12 40.88 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 -2.88 0.00 -3.08 -2.24 5.19 -1.83 -3.46 116.42 108.12 2dml h ASP 18 Ca -0.21 -0.02 -0.53 0.00 -0.62 0.00 0.00 57.03 55.64 2dml h ASP 18 Cb 0.71 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.22 2dml h ASP 18 CO 0.13 0.01 0.67 -0.69 -3.12 0.00 0.00 179.24 176.23 2dml s VAL 19 N -3.23 3.74 -0.26 -1.35 1.01 -1.26 -4.79 120.40 114.25 2dml s VAL 19 Ca 0.06 1.22 -0.23 0.00 0.00 0.00 0.00 61.98 63.03 2dml s VAL 19 Cb 0.08 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2dml s VAL 19 CO 0.70 0.08 0.77 -0.63 0.00 0.00 0.00 175.10 176.01 2dml s ILE 20 N 1.33 4.86 -0.70 2.22 1.01 -1.01 -4.60 121.20 124.31 2dml s ILE 20 Ca 0.61 1.37 -0.26 0.00 0.00 0.00 0.00 60.65 62.37 2dml s ILE 20 Cb -0.32 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 2dml s ILE 20 CO 0.29 -0.09 2.07 -0.70 0.00 0.00 0.00 174.94 176.50 2dml s GLU 21 N 2.79 2.35 0.10 2.79 2.56 -1.26 -1.69 118.70 126.34 2dml s GLU 21 Ca 0.32 0.47 -0.29 0.00 0.00 0.00 0.00 54.97 55.47 2dml s GLU 21 Cb -0.15 -4.68 -0.06 0.00 2.00 0.00 0.00 34.13 31.24 2dml s GLU 21 CO 0.09 -3.28 0.93 -0.51 -0.56 0.00 0.00 175.26 171.93 2dml s LEU 22 N 10.80 4.49 0.16 2.70 1.43 -0.89 -4.93 118.68 132.44 2dml s LEU 22 Ca 0.77 1.73 0.04 0.00 -1.03 0.00 0.00 54.13 55.64 2dml s LEU 22 Cb -0.12 -3.52 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 2dml s LEU 22 CO 0.13 -0.06 -0.09 0.42 0.23 0.00 0.00 176.35 176.99 2dml s THR 23 N 0.02 1.15 -1.17 5.49 -4.23 -1.26 -4.42 115.64 111.22 2dml s THR 23 Ca 0.46 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 2dml s THR 23 Cb -0.23 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.68 2dml s THR 23 CO 0.29 -0.68 0.29 -0.81 -0.54 0.00 0.00 174.62 173.16 2dml n PRO 24 N -0.23 0.49 0.00 3.99 -0.04 -1.26 0.44 135.00 138.39 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 0.61 -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 0.13 4.63 0.00 3.54 7.64 -1.26 -4.79 113.62 123.51 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 0.75 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 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 -1.58 3.45 -0.35 6.43 6.94 -0.85 -4.75 115.26 124.55 2dml n ASN 26 Ca 0.00 -0.04 0.30 0.00 -0.02 0.00 0.00 54.58 54.82 2dml n ASN 26 Cb 0.18 0.78 0.50 0.00 -2.36 0.00 0.00 39.78 38.88 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 -1.12 0.52 0.01 -2.53 -0.00 0.17 0.22 117.46 114.72 2dml n PHE 27 Ca 0.00 0.52 -0.18 0.00 -0.00 0.00 0.00 57.45 57.79 2dml n PHE 27 Cb 0.00 -0.92 -0.13 0.00 -0.00 0.00 0.00 39.48 38.43 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 0.36 0.46 -2.13 -1.24 -1.85 0.11 115.58 111.29 2dml h ASN 28 Ca 0.65 -0.89 0.00 0.00 0.71 0.00 0.00 56.30 56.77 2dml h ASN 28 Cb 2.11 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 41.04 2dml h ASN 28 CO -0.34 1.22 0.00 0.54 -1.29 0.00 0.00 177.43 177.55 2dml n ARG 29 N -4.29 0.34 -0.10 6.67 5.12 0.59 0.24 116.66 125.23 2dml n ARG 29 Ca -0.12 0.06 -0.20 0.00 -1.93 0.00 0.00 57.85 55.66 2dml n ARG 29 Cb 0.68 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 30.41 2dml n ARG 29 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2dml n GLU 30 N -1.29 0.41 -0.05 5.56 -0.58 0.31 -4.57 120.64 120.43 2dml n GLU 30 Ca 0.11 0.18 -0.05 0.00 -0.42 0.00 0.00 57.16 56.98 2dml n GLU 30 Cb 0.19 -1.19 -0.02 0.00 -0.57 0.00 0.00 31.44 29.85 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 -3.82 0.85 -0.30 2.62 0.31 0.38 -4.14 118.33 114.23 2dml n VAL 31 Ca -0.38 0.29 0.30 0.00 -0.01 0.00 0.00 64.34 64.54 2dml n VAL 31 Cb 0.77 -1.97 0.66 0.00 -0.91 0.00 0.00 33.84 32.39 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 -0.55 0.47 -0.90 2.52 1.08 -1.16 0.81 117.51 119.78 2dml h ILE 32 Ca 0.00 -0.05 -0.46 0.00 -0.39 0.00 0.00 64.86 63.96 2dml h ILE 32 Cb 0.55 0.31 -0.27 0.00 -3.07 0.00 0.00 36.82 34.34 2dml h ILE 32 CO 0.00 0.03 0.58 0.00 -0.69 0.00 0.00 178.15 178.07 2dml n GLN 33 N -4.36 2.21 -3.79 2.37 1.13 0.65 -4.76 117.38 110.83 2dml n GLN 33 Ca 0.24 -2.75 -0.30 0.00 -1.94 0.00 0.00 57.00 52.26 2dml n GLN 33 Cb 1.06 -2.08 -0.14 0.00 0.11 0.00 0.00 30.24 29.19 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 -1.09 4.02 0.59 1.08 0.15 0.28 -4.82 113.70 113.91 2dml s SER 34 Ca 0.52 -2.22 0.29 0.00 0.70 0.00 0.00 55.95 55.24 2dml s SER 34 Cb 0.44 -1.12 1.45 0.00 -1.71 0.00 0.00 66.02 65.08 2dml s SER 34 CO 0.10 -0.34 1.87 -0.78 1.20 0.00 0.00 173.24 175.29 2dml h ASP 35 N 7.35 0.00 -0.25 5.45 3.58 -1.86 -3.41 116.42 127.28 2dml h ASP 35 Ca -0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2dml h ASP 35 Cb 0.97 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2dml h ASP 35 CO 0.50 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.47 2dml n GLY 36 N -1.53 -1.77 3.88 -0.78 0.00 -1.26 -4.89 105.19 98.83 2dml n GLY 36 Ca 0.10 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 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 4.34 -0.02 0.99 2.96 -1.26 -4.69 118.68 120.99 2dml s LEU 37 Ca 0.00 0.66 0.01 0.00 -0.22 0.00 0.00 54.13 54.58 2dml s LEU 37 Cb 0.00 -2.94 0.01 0.00 0.50 0.00 0.00 46.19 43.77 2dml s LEU 37 CO 0.00 0.18 -0.03 0.26 -1.32 0.00 0.00 176.35 175.43 2dml s TRP 38 N -1.42 0.49 -0.37 5.38 0.52 -0.67 -1.89 118.94 120.99 2dml s TRP 38 Ca 0.33 -0.09 0.01 0.00 0.02 0.00 0.00 56.10 56.36 2dml s TRP 38 Cb -0.13 -0.44 0.10 0.00 -1.15 0.00 0.00 33.47 31.85 2dml s TRP 38 CO 0.19 -0.10 0.12 -0.51 0.02 0.00 0.00 176.95 176.66 2dml s LEU 39 N 0.55 4.93 -0.23 2.99 1.43 0.66 -0.10 118.68 128.90 2dml s LEU 39 Ca -0.06 -2.05 -0.10 0.00 -1.03 0.00 0.00 54.13 50.89 2dml s LEU 39 Cb -0.09 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 2dml s LEU 39 CO -0.00 -0.45 0.14 -0.69 0.23 0.00 0.00 176.35 175.58 2dml s VAL 40 N 1.03 5.21 -0.19 -1.59 1.01 -0.72 -1.14 120.40 124.00 2dml s VAL 40 Ca 0.09 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 2dml s VAL 40 Cb -0.21 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2dml s VAL 40 CO -0.06 0.37 -0.07 -0.70 0.00 0.00 0.00 175.10 174.64 2dml s GLU 41 N 0.95 3.37 -0.63 2.72 2.12 -1.26 -0.25 118.70 125.72 2dml s GLU 41 Ca 0.07 -0.65 -0.22 0.00 0.36 0.00 0.00 54.97 54.54 2dml s GLU 41 Cb -0.13 -2.89 0.08 0.00 0.26 0.00 0.00 34.13 31.45 2dml s GLU 41 CO 0.03 -0.08 0.88 -0.06 -0.54 0.00 0.00 175.26 175.49 2dml s PHE 42 N 1.15 2.78 0.55 5.30 0.40 0.83 -2.44 117.98 126.55 2dml s PHE 42 Ca 0.01 -0.62 0.05 0.00 -0.60 0.00 0.00 56.93 55.78 2dml s PHE 42 Cb -0.14 -4.16 0.04 0.00 0.51 0.00 0.00 43.02 39.26 2dml s PHE 42 CO -0.02 -1.51 0.41 1.52 0.70 0.00 0.00 175.22 176.32 2dml s TYR 43 N 3.63 1.57 -0.05 0.36 -0.85 -1.14 -1.88 117.35 118.98 2dml s TYR 43 Ca 0.20 -0.86 -0.02 0.00 -0.52 0.00 0.00 57.07 55.87 2dml s TYR 43 Cb -0.19 -1.90 0.03 0.00 0.38 0.00 0.00 41.96 40.28 2dml s TYR 43 CO 0.10 -0.50 0.04 0.00 -1.52 0.00 0.00 175.55 173.67 2dml s ALA 44 N -2.79 0.34 -2.00 9.51 0.00 -1.26 -1.03 121.76 124.54 2dml s ALA 44 Ca 0.33 0.12 0.09 0.00 0.00 0.00 0.00 51.96 52.50 2dml s ALA 44 Cb -0.02 -0.61 0.56 0.00 0.00 0.00 0.00 23.12 23.05 2dml s ALA 44 CO 0.21 -0.43 1.00 -0.35 0.00 0.00 0.00 175.76 176.18 2dml n PRO 45 N 5.13 0.49 -0.00 0.00 -0.04 -1.26 -1.88 135.00 137.44 2dml n PRO 45 Ca -0.07 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.41 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 -2.34 0.54 4.27 -1.26 -5.02 117.44 112.82 2dml n TRP 46 Ca 0.07 0.00 -0.25 0.00 -3.89 0.00 0.00 57.50 53.43 2dml n TRP 46 Cb 0.03 -0.04 0.11 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 -3.05 -0.47 0.56 0.00 0.00 -1.26 -3.95 105.19 97.01 2dml n GLY 48 Ca 0.13 0.00 0.37 0.00 0.00 0.00 0.00 46.02 46.52 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 0.10 1.61 -0.00 -1.95 0.18 115.15 115.09 2dml h HIS 49 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 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 -0.05 0.00 -0.00 0.00 0.00 177.93 177.88 2dml h GLN 51 N -0.60 0.00 -0.01 0.00 4.20 -0.78 0.30 115.11 118.22 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 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2dml h GLN 51 CO 0.02 0.00 -0.07 0.54 -0.67 0.00 0.00 178.83 178.65 2dml n ARG 52 N -2.73 1.53 -0.25 1.46 1.74 -0.91 -3.69 116.66 113.81 2dml n ARG 52 Ca -0.02 -0.95 0.10 0.00 -0.77 0.00 0.00 57.85 56.21 2dml n ARG 52 Cb 0.07 -1.48 0.24 0.00 -1.02 0.00 0.00 32.46 30.26 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 0.09 3.46 0.07 0.55 7.94 0.11 -4.51 117.00 124.71 2dml n LEU 53 Ca 0.17 -1.80 -0.13 0.00 -1.11 0.00 0.00 56.01 53.14 2dml n LEU 53 Cb 0.38 -0.33 -0.09 0.00 0.53 0.00 0.00 43.42 43.91 2dml n LEU 53 CO 0.19 0.82 0.64 0.74 -1.11 0.00 0.00 177.39 178.68 2dml h THR 54 N 3.68 1.04 -0.30 1.96 2.02 -1.63 -0.79 112.91 118.88 2dml h THR 54 Ca 0.00 -0.71 -0.15 0.00 0.77 0.00 0.00 66.41 66.32 2dml h THR 54 Cb 0.90 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 2dml h THR 54 CO 0.00 0.17 -0.41 1.55 0.37 0.00 0.00 175.52 177.20 2dml h PRO 55 N -0.50 0.74 -0.20 6.66 0.13 -1.86 -0.89 132.00 136.07 2dml h PRO 55 Ca -0.02 -0.39 -0.04 0.00 -0.87 0.00 0.00 66.00 64.68 2dml h PRO 55 Cb 0.40 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 2dml h PRO 55 CO 0.03 1.01 -0.03 0.93 -0.23 0.00 0.00 178.00 179.71 2dml h GLU 56 N 0.60 0.37 -0.23 0.86 4.39 -1.79 -1.90 114.58 116.88 2dml h GLU 56 Ca 0.05 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.55 2dml h GLU 56 Cb 0.95 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2dml h GLU 56 CO 0.09 0.61 -0.09 2.35 -1.16 0.00 0.00 179.01 180.80 2dml h TRP 57 N 0.11 0.55 -0.37 4.33 -0.00 -1.16 -2.15 115.95 117.25 2dml h TRP 57 Ca 0.05 -0.13 0.05 0.00 -0.00 0.00 0.00 58.89 58.87 2dml h TRP 57 Cb 0.46 -0.13 -0.05 0.00 -0.00 0.00 0.00 29.16 29.44 2dml h TRP 57 CO 0.05 0.73 0.08 0.87 -0.00 0.00 0.00 178.44 180.17 2dml h LYS 58 N 0.20 0.21 -0.51 2.65 1.57 -1.17 -2.13 116.57 117.39 2dml h LYS 58 Ca 0.06 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.92 2dml h LYS 58 Cb 0.58 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.74 2dml h LYS 58 CO 0.03 0.14 -0.21 0.87 -0.57 0.00 0.00 179.45 179.71 2dml h LYS 59 N 0.21 -0.09 -0.45 3.15 1.57 -1.33 0.21 116.57 119.85 2dml h LYS 59 Ca 0.17 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 2dml h LYS 59 Cb 0.19 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2dml h LYS 59 CO -0.22 -0.06 0.30 0.00 -0.57 0.00 0.00 179.45 178.90 2dml h ALA 60 N 1.29 1.69 -0.03 3.86 0.00 -1.40 -1.29 119.26 123.36 2dml h ALA 60 Ca 0.24 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2dml h ALA 60 Cb 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2dml h ALA 60 CO -0.57 0.29 -0.39 0.00 0.00 0.00 0.00 179.25 178.58 2dml h ALA 61 N 1.72 1.30 -0.16 0.00 0.00 -0.02 0.17 119.26 122.27 2dml h ALA 61 Ca 0.17 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2dml h ALA 61 Cb -0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2dml h ALA 61 CO -0.04 0.51 -0.15 1.15 0.00 0.00 0.00 179.25 180.73 2dml h THR 62 N 0.05 1.34 -0.01 0.00 2.02 0.05 0.16 112.91 116.53 2dml h THR 62 Ca 0.00 -1.30 -0.15 0.00 0.77 0.00 0.00 66.41 65.74 2dml h THR 62 Cb 0.71 1.83 0.01 0.00 -1.74 0.00 0.00 68.15 68.97 2dml h THR 62 CO 0.05 0.38 -0.59 0.00 0.37 0.00 0.00 175.52 175.73 2dml h ALA 63 N 0.62 0.08 -0.23 6.16 0.00 -1.40 -3.18 119.26 121.32 2dml h ALA 63 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2dml h ALA 63 Cb 0.67 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2dml h ALA 63 CO 0.04 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.92 2dml n LEU 64 N -4.22 1.51 -0.20 0.00 4.77 0.58 -4.27 117.00 115.18 2dml n LEU 64 Ca -0.10 -0.76 0.01 0.00 -0.03 0.00 0.00 56.01 55.13 2dml n LEU 64 Cb 0.67 -0.24 0.11 0.00 -2.33 0.00 0.00 43.42 41.63 2dml n LEU 64 CO 0.47 0.33 0.88 0.50 -1.33 0.00 0.00 177.39 178.23 2dml h LYS 65 N 1.37 0.18 0.00 3.23 3.64 -0.65 0.52 116.57 124.86 2dml h LYS 65 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2dml h LYS 65 Cb 0.45 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2dml h LYS 65 CO 0.03 0.12 -1.77 -0.25 -2.27 0.00 0.00 179.45 175.31 2dml n ASP 66 N -5.21 0.19 -0.01 4.20 8.00 -1.26 -4.58 116.55 117.89 2dml n ASP 66 Ca 0.09 0.04 -0.00 0.00 0.71 0.00 0.00 54.79 55.63 2dml n ASP 66 Cb 0.35 1.66 -0.00 0.00 -0.02 0.00 0.00 41.12 43.11 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 -3.22 2.53 2.07 -1.61 -3.47 116.25 112.55 2dml h VAL 67 Ca 0.00 -0.12 -0.63 0.00 0.82 0.00 0.00 66.70 66.77 2dml h VAL 67 Cb 0.99 0.00 -0.36 0.00 -1.52 0.00 0.00 31.29 30.40 2dml h VAL 67 CO 0.00 0.00 -0.83 -0.69 0.02 0.00 0.00 177.57 176.07 2dml s VAL 68 N -1.08 1.79 -0.53 2.57 1.01 0.18 -4.66 120.40 119.69 2dml s VAL 68 Ca -0.00 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 60.82 2dml s VAL 68 Cb 0.00 -1.72 -0.08 0.00 0.00 0.00 0.00 36.38 34.58 2dml s VAL 68 CO 0.01 0.38 2.43 0.29 0.00 0.00 0.00 175.10 178.21 2dml n LYS 69 N 4.68 0.97 -3.10 2.72 4.76 -0.79 -4.24 118.16 123.15 2dml n LYS 69 Ca -0.18 -0.05 -0.44 0.00 -2.87 0.00 0.00 58.31 54.78 2dml n LYS 69 Cb 0.49 -3.38 -0.05 0.00 -1.84 0.00 0.00 35.03 30.25 2dml n LYS 69 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2dml s VAL 70 N 12.24 4.79 0.00 -0.18 1.01 -1.26 -0.25 120.40 136.75 2dml s VAL 70 Ca 1.00 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2dml s VAL 70 Cb -0.22 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 31.70 2dml s VAL 70 CO 0.26 -1.08 0.00 0.61 0.00 0.00 0.00 175.10 174.90 2dml n GLY 71 N 5.26 1.26 3.50 4.51 0.00 -0.29 -2.42 105.19 117.01 2dml n GLY 71 Ca -0.08 -1.91 -0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.66 -2.49 -0.16 4.61 0.00 -0.68 -4.12 121.76 116.26 2dml s ALA 72 Ca 0.00 2.14 0.01 0.00 0.00 0.00 0.00 51.96 54.11 2dml s ALA 72 Cb 0.00 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.22 2dml s ALA 72 CO 0.00 -0.79 -0.19 0.08 0.00 0.00 0.00 175.76 174.87 2dml s VAL 73 N 2.22 2.30 -0.93 0.00 1.01 -1.02 -2.10 120.40 121.88 2dml s VAL 73 Ca -0.05 -0.88 -0.24 0.00 0.00 0.00 0.00 61.98 60.81 2dml s VAL 73 Cb -0.06 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 2dml s VAL 73 CO -0.17 0.53 1.82 0.21 0.00 0.00 0.00 175.10 177.48 2dml s ASN 74 N 1.00 5.50 0.35 3.32 2.47 -1.26 -2.88 114.94 123.44 2dml s ASN 74 Ca -0.02 -0.87 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 38.29 2dml s ASN 74 CO -0.05 -2.42 1.61 0.00 -3.72 0.00 0.00 177.10 172.52 2dml h ALA 75 N 10.91 1.99 -0.14 1.71 0.00 -1.36 1.01 119.26 133.38 2dml h ALA 75 Ca 0.12 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 2dml h ALA 75 Cb 1.01 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2dml h ALA 75 CO 1.27 -0.78 0.09 0.22 0.00 0.00 0.00 179.25 180.04 2dml h ASP 76 N 0.12 0.17 0.07 0.00 3.58 -1.88 -1.70 116.42 116.77 2dml h ASP 76 Ca 0.78 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 58.19 2dml h ASP 76 Cb 1.94 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.95 2dml h ASP 76 CO -0.72 0.15 -0.03 0.50 -2.88 0.00 0.00 179.24 176.26 2dml h LYS 77 N 0.16 -0.09 -2.00 0.28 3.64 -0.34 -3.33 116.57 114.89 2dml h LYS 77 Ca 0.05 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 2dml h LYS 77 Cb 0.02 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2dml h LYS 77 CO -0.01 -0.04 -0.17 0.72 -2.27 0.00 0.00 179.45 177.68 2dml n HIS 78 N -4.84 0.02 0.22 1.91 8.25 0.30 -4.55 115.22 116.53 2dml n HIS 78 Ca -0.01 -1.24 0.14 0.00 -0.26 0.00 0.00 57.72 56.34 2dml n HIS 78 Cb 0.05 -1.01 0.52 0.00 1.12 0.00 0.00 29.99 30.67 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 1.92 0.00 -0.09 -0.41 1.08 -1.43 0.36 115.11 116.55 2dml h GLN 79 Ca 0.09 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.20 2dml h GLN 79 Cb 1.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 2dml h GLN 79 CO 0.12 0.00 -0.29 0.66 -0.95 0.00 0.00 178.83 178.37 2dml h SER 80 N 0.00 0.41 0.17 1.46 4.64 -1.84 -2.54 113.55 115.84 2dml h SER 80 Ca 0.10 -0.61 -0.01 0.00 -0.47 0.00 0.00 61.79 60.80 2dml h SER 80 Cb 1.42 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2dml h SER 80 CO -0.00 0.95 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.76 2dml h LEU 81 N -0.12 -0.19 0.36 5.97 3.38 -0.67 0.43 115.31 124.47 2dml h LEU 81 Ca -0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2dml h LEU 81 Cb 0.92 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2dml h LEU 81 CO 0.06 0.06 -0.39 1.23 0.09 0.00 0.00 178.44 179.48 2dml h GLY 82 N -0.44 -1.15 0.78 0.83 0.00 -1.57 -2.90 103.07 98.62 2dml h GLY 82 Ca -0.02 0.54 0.05 0.00 0.00 0.00 0.00 47.33 47.89 2dml h GLY 82 CO 0.04 -0.35 0.45 -1.33 0.00 0.00 0.00 176.54 175.35 2dml h GLY 83 N -0.76 1.08 1.05 4.60 0.00 -1.53 -0.08 103.07 107.43 2dml h GLY 83 Ca -0.05 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2dml h GLY 83 CO -0.06 0.24 0.43 -1.61 0.00 0.00 0.00 176.54 175.54 2dml h GLN 84 N 0.85 0.00 0.00 4.80 4.15 -0.71 -0.20 115.11 123.99 2dml h GLN 84 Ca 0.31 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.50 2dml h GLN 84 Cb 0.11 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.75 2dml h GLN 84 CO -0.15 0.00 -1.90 0.66 -1.93 0.00 0.00 178.83 175.51 2dml n TYR 85 N -2.52 0.00 0.00 3.99 4.02 -0.33 -5.03 117.16 117.29 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 0.46 -0.62 0.00 0.00 -0.02 0.00 0.00 39.34 39.16 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 2.61 1.13 3.61 2.72 0.00 -0.09 -5.11 105.19 110.06 2dml n GLY 86 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.13 4.73 0.00 1.61 1.01 -0.47 -4.83 120.40 121.32 2dml s VAL 87 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.18 2dml s VAL 87 Cb 0.00 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2dml s VAL 87 CO 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 175.10 174.76 2dml n GLN 88 N 6.37 2.71 -3.80 2.72 6.02 -1.26 -4.22 117.38 125.92 2dml n GLN 88 Ca 0.05 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.76 2dml n GLN 88 Cb 0.48 -0.89 -0.16 0.00 1.02 0.00 0.00 30.24 30.69 2dml n GLN 88 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2dml s GLY 89 N -2.33 0.82 0.36 1.08 0.00 -1.26 -5.14 107.32 100.85 2dml s GLY 89 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 43.99 2dml s GLY 89 CO 0.00 1.21 0.54 -1.36 0.00 0.00 0.00 173.10 173.50 2dml s PHE 90 N 1.76 3.34 0.56 1.90 0.08 -1.26 -4.24 117.98 120.11 2dml s PHE 90 Ca -0.01 0.16 -0.19 0.00 0.12 0.00 0.00 56.93 57.02 2dml s PHE 90 Cb -0.16 -1.99 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 2dml s PHE 90 CO -0.07 -0.00 1.13 -1.25 -0.10 0.00 0.00 175.22 174.92 2dml s PRO 91 N -4.32 3.29 -0.24 0.24 0.04 -1.26 -4.90 135.00 127.86 2dml s PRO 91 Ca 0.42 1.58 -0.04 0.00 0.04 0.00 0.00 61.00 63.01 2dml s PRO 91 Cb -0.10 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.52 2dml s PRO 91 CO 0.35 -0.89 0.09 0.99 0.04 0.00 0.00 177.00 177.58 2dml s THR 92 N -1.84 0.16 0.12 1.26 2.01 -0.79 -4.99 115.64 111.56 2dml s THR 92 Ca 0.72 -0.61 -0.15 0.00 0.31 0.00 0.00 61.69 61.96 2dml s THR 92 Cb -0.23 -0.95 -0.07 0.00 0.01 0.00 0.00 72.50 71.26 2dml s THR 92 CO 0.29 -0.48 0.53 -0.63 -0.69 0.00 0.00 174.62 173.64 2dml s ILE 93 N 2.00 4.86 -0.02 1.82 1.01 -1.26 -0.12 121.20 129.49 2dml s ILE 93 Ca 0.05 0.89 0.02 0.00 0.00 0.00 0.00 60.65 61.60 2dml s ILE 93 Cb -0.16 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.55 2dml s ILE 93 CO -0.21 0.33 -0.07 -0.54 0.00 0.00 0.00 174.94 174.46 2dml s LYS 94 N -1.72 0.76 -0.17 2.79 -0.14 0.65 -3.05 119.74 118.86 2dml s LYS 94 Ca 0.35 -0.23 -0.08 0.00 -1.36 0.00 0.00 55.97 54.65 2dml s LYS 94 Cb -0.16 -0.73 -0.04 0.00 -1.68 0.00 0.00 37.83 35.21 2dml s LYS 94 CO 0.19 0.08 0.11 0.42 -0.76 0.00 0.00 175.35 175.38 2dml s ILE 95 N 0.24 5.23 -0.17 2.17 1.01 -0.55 -1.75 121.20 127.38 2dml s ILE 95 Ca -0.03 0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.72 2dml s ILE 95 Cb -0.08 -3.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 2dml s ILE 95 CO 0.00 0.49 -0.10 -0.36 0.00 0.00 0.00 174.94 174.97 2dml s PHE 96 N 0.01 2.87 0.00 3.97 0.40 0.85 -0.68 117.98 125.40 2dml s PHE 96 Ca 0.08 -0.88 0.00 0.00 -0.60 0.00 0.00 56.93 55.53 2dml s PHE 96 Cb -0.12 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.45 2dml s PHE 96 CO -0.00 -0.42 0.00 0.41 0.70 0.00 0.00 175.22 175.91 2dml n GLY 97 N 4.18 -1.35 0.21 4.36 0.00 -1.26 -1.67 105.19 109.66 2dml n GLY 97 Ca -0.18 0.57 -0.07 0.00 0.00 0.00 0.00 46.02 46.33 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 1.86 -0.68 -3.12 4.61 0.00 -1.92 -3.35 119.26 116.67 2dml h ALA 98 Ca 0.00 -0.03 -0.70 0.00 0.00 0.00 0.00 54.91 54.18 2dml h ALA 98 Cb 0.00 0.73 -0.34 0.00 0.00 0.00 0.00 17.79 18.18 2dml h ALA 98 CO 0.00 -0.75 -0.53 1.21 0.00 0.00 0.00 179.25 179.18 2dml s ASN 99 N -3.53 5.28 0.57 0.00 2.47 -1.26 -4.93 114.94 113.53 2dml s ASN 99 Ca -0.07 -2.09 0.34 0.00 0.42 0.00 0.00 52.86 51.46 2dml s ASN 99 Cb 0.03 -1.84 1.86 0.00 -1.45 0.00 0.00 41.25 39.85 2dml s ASN 99 CO 0.27 -0.54 2.04 0.11 -3.72 0.00 0.00 177.10 175.26 2dml h LYS 100 N 7.99 0.00 0.00 0.43 1.79 -1.96 0.14 116.57 124.96 2dml h LYS 100 Ca -0.12 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.16 2dml h LYS 100 Cb 1.04 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.66 2dml h LYS 100 CO 0.71 0.00 -1.11 -0.91 -1.08 0.00 0.00 179.45 177.05 2dml h ASN 101 N 0.00 0.00 -3.02 0.86 2.35 -1.95 -3.43 115.58 110.39 2dml h ASN 101 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 2dml h ASN 101 Cb 0.21 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.18 2dml h ASN 101 CO 0.00 0.75 -0.78 -0.54 -1.65 0.00 0.00 177.43 175.22 2dml s LYS 102 N -2.81 0.65 1.17 0.81 1.02 0.50 -5.09 119.74 115.98 2dml s LYS 102 Ca -0.00 -1.15 -0.18 0.00 0.02 0.00 0.00 55.97 54.66 2dml s LYS 102 Cb 0.09 -1.72 0.27 0.00 -0.52 0.00 0.00 37.83 35.94 2dml s LYS 102 CO 0.80 -1.07 1.11 -1.25 -0.92 0.00 0.00 175.35 174.02 2dml s PRO 103 N 1.42 -0.93 -0.05 -1.68 0.04 -1.23 -4.38 135.00 128.20 2dml s PRO 103 Ca 0.12 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.21 2dml s PRO 103 Cb -0.19 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 2dml s PRO 103 CO -0.19 -3.54 -0.02 -1.21 0.04 0.00 0.00 177.00 172.08 2dml s GLU 104 N -5.32 2.82 -0.45 4.56 2.02 0.14 -4.87 118.70 117.61 2dml s GLU 104 Ca 0.70 -0.54 -0.28 0.00 0.02 0.00 0.00 54.97 54.88 2dml s GLU 104 Cb -0.11 -2.68 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 2dml s GLU 104 CO 0.56 0.66 1.83 -0.51 0.02 0.00 0.00 175.26 177.83 2dml s ASP 105 N -1.14 5.59 -0.15 -0.19 1.11 -1.26 -1.48 116.67 119.15 2dml s ASP 105 Ca 0.15 0.88 -0.29 0.00 0.18 0.00 0.00 52.55 53.48 2dml s ASP 105 Cb -0.11 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 2dml s ASP 105 CO 0.05 -2.02 1.76 -0.47 1.18 0.00 0.00 175.17 175.67 2dml s TYR 106 N 7.95 1.82 -0.03 4.23 5.04 -1.17 -4.83 117.35 130.36 2dml s TYR 106 Ca 0.75 0.32 0.14 0.00 -2.44 0.00 0.00 57.07 55.84 2dml s TYR 106 Cb -0.18 -4.00 -0.22 0.00 0.35 0.00 0.00 41.96 37.91 2dml s TYR 106 CO 0.28 -3.67 0.29 1.04 -1.34 0.00 0.00 175.55 172.15 2dml n GLN 107 N 7.70 0.58 -0.48 4.97 6.02 -1.26 -4.77 117.38 130.14 2dml n GLN 107 Ca 0.20 -0.12 -0.19 0.00 -0.01 0.00 0.00 57.00 56.89 2dml n GLN 107 Cb 0.44 -1.35 0.16 0.00 1.02 0.00 0.00 30.24 30.52 2dml n GLN 107 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dml n GLY 108 N 1.72 -2.64 3.77 1.08 0.00 -1.26 -4.87 105.19 103.00 2dml n GLY 108 Ca -0.05 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.12 2.93 -0.36 -0.02 0.00 -1.26 -4.91 107.32 101.58 2dml s GLY 109 Ca 0.39 1.29 0.02 0.00 0.00 0.00 0.00 44.72 46.42 2dml s GLY 109 CO 0.35 1.89 1.76 0.54 0.00 0.00 0.00 173.10 177.64 2dml n ARG 110 N 0.19 1.97 -4.52 2.90 1.74 -1.26 -3.36 116.66 114.31 2dml n ARG 110 Ca 0.03 -2.17 -0.34 0.00 -0.77 0.00 0.00 57.85 54.60 2dml n ARG 110 Cb 0.43 -1.85 -0.11 0.00 -1.02 0.00 0.00 32.46 29.91 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 -2.62 3.95 0.43 0.55 -4.23 -1.26 -4.68 115.64 107.78 2dml s THR 111 Ca 0.42 -0.38 0.36 0.00 -1.18 0.00 0.00 61.69 60.90 2dml s THR 111 Cb 0.34 -2.64 0.53 0.00 1.34 0.00 0.00 72.50 72.08 2dml s THR 111 CO 0.05 0.60 1.35 0.61 -0.54 0.00 0.00 174.62 176.70 2dml n GLY 112 N 2.19 -0.79 0.13 3.99 0.00 -0.81 -0.36 105.19 109.54 2dml n GLY 112 Ca -0.18 0.63 -0.03 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.22 -0.42 1.61 5.08 -1.94 -3.19 114.58 115.50 2dml h GLU 113 Ca 0.79 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 59.25 2dml h GLU 113 Cb 2.85 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 32.06 2dml h GLU 113 CO -0.22 -0.15 -0.23 0.00 -1.00 0.00 0.00 179.01 177.42 2dml h ALA 114 N -1.11 0.06 -0.83 3.43 0.00 -0.96 -0.53 119.26 119.32 2dml h ALA 114 Ca -0.02 0.14 0.20 0.00 0.00 0.00 0.00 54.91 55.23 2dml h ALA 114 Cb 0.17 0.54 -0.13 0.00 0.00 0.00 0.00 17.79 18.38 2dml h ALA 114 CO 0.04 -0.59 0.25 0.82 0.00 0.00 0.00 179.25 179.77 2dml h ILE 115 N -0.15 0.43 -0.44 0.00 2.04 -1.00 0.17 117.51 118.57 2dml h ILE 115 Ca 0.20 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 66.01 2dml h ILE 115 Cb 0.46 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 2dml h ILE 115 CO -0.51 0.05 0.18 0.58 0.00 0.00 0.00 178.15 178.45 2dml h VAL 116 N 0.28 0.91 -0.22 1.67 2.07 -1.08 0.18 116.25 120.05 2dml h VAL 116 Ca 0.50 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.79 2dml h VAL 116 Cb 0.94 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2dml h VAL 116 CO -0.57 0.07 -0.32 -0.78 0.02 0.00 0.00 177.57 175.99 2dml h ASP 117 N 0.37 0.47 0.05 0.57 1.82 -0.57 -2.69 116.42 116.44 2dml h ASP 117 Ca 0.20 -0.18 -0.00 0.00 -0.39 0.00 0.00 57.03 56.66 2dml h ASP 117 Cb 0.15 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.03 2dml h ASP 117 CO -0.17 0.76 -0.02 0.00 -1.61 0.00 0.00 179.24 178.20 2dml h ALA 118 N 1.27 -0.07 -0.86 -0.78 0.00 0.01 -1.90 119.26 116.94 2dml h ALA 118 Ca 0.05 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.86 2dml h ALA 118 Cb 0.75 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 2dml h ALA 118 CO 0.06 -0.34 0.51 0.00 0.00 0.00 0.00 179.25 179.47 2dml h ALA 119 N 0.47 1.25 0.75 0.00 0.00 -0.67 -2.18 119.26 118.88 2dml h ALA 119 Ca -0.01 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2dml h ALA 119 Cb 0.41 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2dml h ALA 119 CO 0.01 0.13 -0.36 -0.07 0.00 0.00 0.00 179.25 178.97 2dml h LEU 120 N 0.84 -0.85 -0.94 0.00 3.38 -1.45 -0.58 115.31 115.71 2dml h LEU 120 Ca 0.42 0.02 0.28 0.00 0.09 0.00 0.00 57.88 58.68 2dml h LEU 120 Cb 0.38 0.22 -0.16 0.00 0.09 0.00 0.00 40.66 41.19 2dml h LEU 120 CO -0.25 -0.49 0.23 -1.28 0.09 0.00 0.00 178.44 176.74 2dml h SER 121 N -1.23 -0.08 -0.20 -0.43 0.87 -1.12 0.33 113.55 111.68 2dml h SER 121 Ca -0.10 0.23 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 2dml h SER 121 Cb 0.78 0.33 -0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2dml h SER 121 CO 0.17 -0.27 -0.17 0.00 -0.53 0.00 0.00 176.83 176.03 2dml h ALA 122 N 1.89 0.30 -0.31 6.23 0.00 -1.33 -3.27 119.26 122.77 2dml h ALA 122 Ca 0.62 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 55.26 2dml h ALA 122 Cb 1.36 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 2dml h ALA 122 CO -0.76 0.20 -0.36 1.25 0.00 0.00 0.00 179.25 179.59 2dml h LEU 123 N 0.16 -1.16 -0.73 0.00 7.12 0.13 -1.78 115.31 119.05 2dml h LEU 123 Ca 0.04 0.18 0.12 0.00 0.13 0.00 0.00 57.88 58.35 2dml h LEU 123 Cb 0.71 0.52 -0.13 0.00 -0.53 0.00 0.00 40.66 41.22 2dml h LEU 123 CO 0.04 -0.35 -0.35 0.03 -0.13 0.00 0.00 178.44 177.69 2dml h ARG 124 N -0.33 -0.10 -1.37 1.25 3.08 -1.36 0.58 114.38 116.14 2dml h ARG 124 Ca 0.14 0.01 0.42 0.00 0.07 0.00 0.00 59.98 60.62 2dml h ARG 124 Cb 0.56 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.53 2dml h ARG 124 CO -0.49 -0.07 0.91 1.03 -1.07 0.00 0.00 179.97 180.29 2dml h SER 125 N -0.11 0.21 -3.53 7.04 0.87 -1.37 -3.39 113.55 113.27 2dml h SER 125 Ca 0.27 0.09 -0.52 0.00 -1.23 0.00 0.00 61.79 60.40 2dml h SER 125 Cb 0.57 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 2dml h SER 125 CO -0.78 -0.10 -0.00 -0.83 -0.53 0.00 0.00 176.83 174.59 2dml s GLY 126 N -4.07 2.39 0.27 5.77 0.00 0.20 -4.99 107.32 106.89 2dml s GLY 126 Ca -0.07 -0.07 0.05 0.00 0.00 0.00 0.00 44.72 44.63 2dml s GLY 126 CO 0.83 0.15 1.66 -0.56 0.00 0.00 0.00 173.10 175.18 2dml h PRO 127 N 2.78 0.27 -5.28 2.90 0.13 -1.80 -3.43 132.00 127.57 2dml h PRO 127 Ca -0.48 -0.14 -0.49 0.00 -0.87 0.00 0.00 66.00 64.02 2dml h PRO 127 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2dml h PRO 127 CO 0.67 0.68 1.70 0.45 -0.23 0.00 0.00 178.00 181.26 2dml n SER 128 N -3.99 1.13 -4.71 1.44 2.88 -1.26 -4.88 113.62 104.23 2dml n SER 128 Ca -0.02 -0.07 -0.30 0.00 -1.33 0.00 0.00 58.87 57.15 2dml n SER 128 Cb 0.51 -1.19 0.14 0.00 -0.75 0.00 0.00 64.21 62.92 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 10.17 3.49 0.00 -3.46 1.04 -1.26 -4.96 113.70 118.72 2dml s SER 129 Ca 1.20 1.74 0.00 0.00 0.48 0.00 0.00 55.95 59.38 2dml s SER 129 Cb -0.83 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 62.91 2dml s SER 129 CO 0.40 -2.67 0.00 0.61 0.98 0.00 0.00 173.24 172.57