#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dml h SER 2 N 0.00 0.00 -4.34 1.61 0.87 -2.08 -3.47 113.55 106.14 2dml h SER 2 Ca 0.00 -0.85 -0.38 0.00 -1.23 0.00 0.00 61.79 59.33 2dml h SER 2 Cb 0.00 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 61.77 2dml h SER 2 CO 0.00 1.07 -0.76 -0.55 -0.53 0.00 0.00 176.83 176.06 2dml s SER 3 N -6.31 1.66 0.00 6.23 0.15 -1.26 -5.11 113.70 109.07 2dml s SER 3 Ca -0.20 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.72 2dml s SER 3 Cb -0.01 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2dml s SER 3 CO 0.63 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.53 2dml n GLY 4 N 0.85 2.58 3.96 9.45 0.00 -1.26 -5.17 105.19 115.60 2dml n GLY 4 Ca -0.18 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 4.95 -0.06 1.61 1.04 -1.26 -4.97 113.70 115.02 2dml s SER 5 Ca 0.00 0.15 -0.03 0.00 0.48 0.00 0.00 55.95 56.55 2dml s SER 5 Cb 0.00 -0.87 0.03 0.00 0.10 0.00 0.00 66.02 65.28 2dml s SER 5 CO 0.00 -1.43 0.13 -0.44 0.98 0.00 0.00 173.24 172.48 2dml s SER 6 N -4.50 -0.10 0.00 7.02 0.01 -1.26 -5.04 113.70 109.83 2dml s SER 6 Ca 0.60 0.26 0.00 0.00 1.31 0.00 0.00 55.95 58.12 2dml s SER 6 Cb -0.10 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.31 2dml s SER 6 CO 0.42 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.56 2dml n GLY 7 N 3.92 -2.31 3.79 3.44 0.00 -1.26 -5.15 105.19 107.63 2dml n GLY 7 Ca -0.23 0.74 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.00 2.47 0.06 4.61 0.00 -1.26 -5.01 121.76 121.63 2dml s ALA 8 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.13 2dml s ALA 8 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2dml s ALA 8 CO 0.00 -1.49 0.00 0.28 0.00 0.00 0.00 175.76 174.55 2dml n VAL 9 N -3.32 0.36 -4.39 0.00 0.31 -1.26 -5.02 118.33 105.01 2dml n VAL 9 Ca 0.08 0.12 -0.37 0.00 -0.01 0.00 0.00 64.34 64.16 2dml n VAL 9 Cb 0.53 -1.27 -0.09 0.00 -0.91 0.00 0.00 33.84 32.10 2dml n VAL 9 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2dml n SER 10 N -3.12 -0.67 -4.69 4.52 7.64 -1.26 -4.85 113.62 111.19 2dml n SER 10 Ca 0.00 -1.23 -0.40 0.00 1.01 0.00 0.00 58.87 58.25 2dml n SER 10 Cb 0.23 -1.55 -0.05 0.00 -1.01 0.00 0.00 64.21 61.83 2dml n SER 10 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dml s GLY 11 N -3.67 2.36 0.38 0.23 0.00 -1.26 -4.80 107.32 100.56 2dml s GLY 11 Ca 0.48 0.05 0.07 0.00 0.00 0.00 0.00 44.72 45.32 2dml s GLY 11 CO 0.99 1.39 1.94 1.41 0.00 0.00 0.00 173.10 178.82 2dml h LEU 12 N 7.53 0.38-10.32 0.66 3.38 -1.97 -3.43 115.31 111.53 2dml h LEU 12 Ca -0.35 -0.06 -0.44 0.00 0.09 0.00 0.00 57.88 57.12 2dml h LEU 12 Cb 1.17 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.83 2dml h LEU 12 CO 0.78 0.43 -0.32 -0.31 0.09 0.00 0.00 178.44 179.11 2dml s TYR 13 N -4.99 3.13 0.21 1.13 1.51 -1.26 -5.07 117.35 112.00 2dml s TYR 13 Ca -0.07 -0.18 0.03 0.00 -1.01 0.00 0.00 57.07 55.84 2dml s TYR 13 Cb 0.16 -2.01 -0.01 0.00 -0.11 0.00 0.00 41.96 39.99 2dml s TYR 13 CO 0.74 -0.03 0.21 0.43 -1.11 0.00 0.00 175.55 175.79 2dml n SER 14 N -1.67 -0.54 0.03 2.29 7.64 -1.26 -5.05 113.62 115.06 2dml n SER 14 Ca -0.00 -2.29 -0.08 0.00 1.01 0.00 0.00 58.87 57.51 2dml n SER 14 Cb 0.58 1.16 0.08 0.00 -1.01 0.00 0.00 64.21 65.02 2dml n SER 14 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dml h SER 15 N 1.24 0.49 -0.42 6.43 0.87 -2.01 -3.21 113.55 116.94 2dml h SER 15 Ca -0.15 -0.27 0.08 0.00 -1.23 0.00 0.00 61.79 60.23 2dml h SER 15 Cb 0.73 -0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 62.47 2dml h SER 15 CO 0.21 0.95 -0.06 -1.28 -0.53 0.00 0.00 176.83 176.12 2dml h SER 16 N 0.34 -0.30 -4.22 6.23 0.87 -1.97 -3.42 113.55 111.08 2dml h SER 16 Ca 0.00 0.12 -0.53 0.00 -1.23 0.00 0.00 61.79 60.15 2dml h SER 16 Cb 1.09 0.23 0.17 0.00 -0.44 0.00 0.00 62.40 63.45 2dml h SER 16 CO 0.10 -0.11 0.33 1.51 -0.53 0.00 0.00 176.83 178.13 2dml s ASP 17 N -5.23 3.66 0.26 6.23 -4.77 -1.21 -4.89 116.67 110.72 2dml s ASP 17 Ca -0.14 2.30 0.24 0.00 -3.30 0.00 0.00 52.55 51.65 2dml s ASP 17 Cb 0.15 -2.58 0.98 0.00 -1.09 0.00 0.00 42.92 40.37 2dml s ASP 17 CO 0.71 -2.62 1.72 0.47 0.70 0.00 0.00 175.17 176.15 2dml n ASP 18 N -3.36 0.69 -4.73 2.11 9.92 -1.26 -4.75 116.55 115.18 2dml n ASP 18 Ca 0.13 0.66 -0.42 0.00 -0.53 0.00 0.00 54.79 54.63 2dml n ASP 18 Cb 0.51 -0.81 -0.03 0.00 -0.64 0.00 0.00 41.12 40.15 2dml n ASP 18 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2dml s VAL 19 N -3.31 3.09 -0.25 2.53 1.01 -1.26 -4.83 120.40 117.38 2dml s VAL 19 Ca 0.05 0.84 -0.20 0.00 0.00 0.00 0.00 61.98 62.66 2dml s VAL 19 Cb 0.09 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 2dml s VAL 19 CO 0.41 0.09 0.63 -0.63 0.00 0.00 0.00 175.10 175.60 2dml s ILE 20 N 0.62 4.98 -0.60 2.22 1.01 -1.00 -4.81 121.20 123.63 2dml s ILE 20 Ca 0.62 1.14 -0.26 0.00 0.00 0.00 0.00 60.65 62.14 2dml s ILE 20 Cb -0.38 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 2dml s ILE 20 CO 0.35 0.03 2.05 -0.70 0.00 0.00 0.00 174.94 176.66 2dml s GLU 21 N 2.49 2.43 0.12 2.79 2.56 -1.26 -2.17 118.70 125.66 2dml s GLU 21 Ca 0.26 0.78 -0.25 0.00 0.00 0.00 0.00 54.97 55.77 2dml s GLU 21 Cb -0.15 -4.50 -0.07 0.00 2.00 0.00 0.00 34.13 31.40 2dml s GLU 21 CO 0.08 -2.99 0.75 -0.51 -0.56 0.00 0.00 175.26 172.04 2dml s LEU 22 N 10.25 4.55 0.13 2.70 1.43 -1.13 -4.95 118.68 131.67 2dml s LEU 22 Ca 0.77 1.55 0.02 0.00 -1.03 0.00 0.00 54.13 55.44 2dml s LEU 22 Cb -0.14 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 2dml s LEU 22 CO 0.20 0.16 -0.04 0.42 0.23 0.00 0.00 176.35 177.33 2dml s THR 23 N -0.85 0.74 -1.19 5.49 -4.23 -1.26 -4.49 115.64 109.85 2dml s THR 23 Ca 0.36 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 2dml s THR 23 Cb -0.22 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 71.75 2dml s THR 23 CO 0.25 -0.71 0.29 -0.81 -0.54 0.00 0.00 174.62 173.10 2dml n PRO 24 N -0.14 0.49 0.00 3.99 -0.04 -1.26 0.47 135.00 138.51 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 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.11 4.48 0.00 3.54 7.64 -1.26 -4.78 113.62 123.35 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 -1.51 1.85 -0.35 6.43 6.94 -0.84 -4.73 115.26 123.05 2dml n ASN 26 Ca 0.00 -0.18 0.34 0.00 -0.02 0.00 0.00 54.58 54.71 2dml n ASN 26 Cb 0.15 0.74 0.52 0.00 -2.36 0.00 0.00 39.78 38.82 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 -0.92 0.00 -0.02 -2.53 -0.00 0.18 0.19 117.46 114.35 2dml n PHE 27 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.23 2dml n PHE 27 Cb 0.00 -0.31 -0.13 0.00 -0.00 0.00 0.00 39.48 39.03 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 0.34 0.57 -2.13 -1.24 -1.85 -2.19 115.58 109.08 2dml h ASN 28 Ca 0.59 -0.86 0.00 0.00 0.71 0.00 0.00 56.30 56.74 2dml h ASN 28 Cb 2.97 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 41.91 2dml h ASN 28 CO -0.01 1.78 0.00 0.54 -1.29 0.00 0.00 177.43 178.45 2dml n ARG 29 N -3.70 0.35 -0.08 6.67 5.12 0.49 0.24 116.66 125.75 2dml n ARG 29 Ca -0.32 0.03 -0.17 0.00 -1.93 0.00 0.00 57.85 55.46 2dml n ARG 29 Cb 0.97 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.71 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 -1.31 0.36 -0.04 5.56 -0.58 0.28 -4.56 120.64 120.35 2dml n GLU 30 Ca 0.12 0.16 -0.04 0.00 -0.42 0.00 0.00 57.16 56.98 2dml n GLU 30 Cb 0.23 -1.11 -0.01 0.00 -0.57 0.00 0.00 31.44 29.98 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 0.74 -0.28 2.62 0.31 -0.84 -4.01 118.33 113.04 2dml n VAL 31 Ca -0.31 0.33 0.26 0.00 -0.01 0.00 0.00 64.34 64.61 2dml n VAL 31 Cb 0.69 -1.93 0.60 0.00 -0.91 0.00 0.00 33.84 32.28 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 -0.50 0.53 -0.83 2.52 1.08 -1.23 0.63 117.51 119.72 2dml h ILE 32 Ca 0.00 -0.08 -0.43 0.00 -0.39 0.00 0.00 64.86 63.95 2dml h ILE 32 Cb 0.41 0.27 -0.26 0.00 -3.07 0.00 0.00 36.82 34.18 2dml h ILE 32 CO 0.00 0.04 0.55 0.00 -0.69 0.00 0.00 178.15 178.06 2dml n GLN 33 N -4.45 2.04 -3.77 2.37 1.13 0.67 -4.74 117.38 110.63 2dml n GLN 33 Ca 0.23 -2.50 -0.30 0.00 -1.94 0.00 0.00 57.00 52.49 2dml n GLN 33 Cb 0.94 -1.98 -0.14 0.00 0.11 0.00 0.00 30.24 29.17 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 -0.91 3.95 0.57 1.08 0.15 0.22 -4.80 113.70 113.96 2dml s SER 34 Ca 0.47 -2.29 0.33 0.00 0.70 0.00 0.00 55.95 55.16 2dml s SER 34 Cb 0.40 -1.10 1.42 0.00 -1.71 0.00 0.00 66.02 65.03 2dml s SER 34 CO 0.09 -0.32 1.73 -0.78 1.20 0.00 0.00 173.24 175.15 2dml h ASP 35 N 7.24 0.00 -1.93 5.45 3.58 -1.85 -3.41 116.42 125.50 2dml h ASP 35 Ca -0.06 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 2dml h ASP 35 Cb 0.96 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.04 2dml h ASP 35 CO 0.50 0.00 0.03 0.61 -2.88 0.00 0.00 179.24 177.50 2dml n GLY 36 N -1.68 -1.95 3.84 -0.78 0.00 -1.26 -5.02 105.19 98.34 2dml n GLY 36 Ca 0.20 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 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 4.25 -0.03 0.99 2.96 -1.26 -4.75 118.68 120.84 2dml s LEU 37 Ca 0.09 1.20 0.01 0.00 -0.22 0.00 0.00 54.13 55.21 2dml s LEU 37 Cb -0.01 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 43.08 2dml s LEU 37 CO 0.07 -0.02 -0.04 0.26 -1.32 0.00 0.00 176.35 175.30 2dml s TRP 38 N -1.66 0.62 -0.39 5.38 0.52 -0.49 -1.45 118.94 121.48 2dml s TRP 38 Ca 0.45 -0.14 -0.03 0.00 0.02 0.00 0.00 56.10 56.40 2dml s TRP 38 Cb -0.14 -0.55 0.10 0.00 -1.15 0.00 0.00 33.47 31.73 2dml s TRP 38 CO 0.20 -0.14 0.16 -0.51 0.02 0.00 0.00 176.95 176.68 2dml s LEU 39 N 0.69 4.99 -0.20 2.99 1.43 0.21 -0.01 118.68 128.79 2dml s LEU 39 Ca -0.09 -1.88 -0.08 0.00 -1.03 0.00 0.00 54.13 51.06 2dml s LEU 39 Cb -0.12 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 2dml s LEU 39 CO -0.00 -0.49 0.08 -0.69 0.23 0.00 0.00 176.35 175.48 2dml s VAL 40 N 1.17 4.80 -0.22 -1.59 1.01 -0.72 -1.18 120.40 123.67 2dml s VAL 40 Ca 0.06 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2dml s VAL 40 Cb -0.22 -3.19 0.04 0.00 0.00 0.00 0.00 36.38 33.02 2dml s VAL 40 CO -0.03 0.43 -0.14 -0.70 0.00 0.00 0.00 175.10 174.65 2dml s GLU 41 N 0.63 2.44 -0.68 2.72 2.12 -1.26 0.04 118.70 124.71 2dml s GLU 41 Ca 0.04 -1.09 -0.27 0.00 0.36 0.00 0.00 54.97 54.01 2dml s GLU 41 Cb -0.13 -2.70 0.03 0.00 0.26 0.00 0.00 34.13 31.59 2dml s GLU 41 CO 0.01 -0.43 1.23 -0.06 -0.54 0.00 0.00 175.26 175.48 2dml s PHE 42 N 1.22 2.41 0.56 5.30 0.40 0.13 -3.06 117.98 124.94 2dml s PHE 42 Ca -0.03 0.07 0.07 0.00 -0.60 0.00 0.00 56.93 56.44 2dml s PHE 42 Cb -0.17 -4.57 0.06 0.00 0.51 0.00 0.00 43.02 38.85 2dml s PHE 42 CO -0.08 -1.90 0.57 1.52 0.70 0.00 0.00 175.22 176.03 2dml s TYR 43 N 5.39 1.52 -0.06 0.36 -0.85 -1.08 -1.62 117.35 121.00 2dml s TYR 43 Ca 0.37 -0.80 -0.01 0.00 -0.52 0.00 0.00 57.07 56.11 2dml s TYR 43 Cb -0.08 -2.03 0.03 0.00 0.38 0.00 0.00 41.96 40.25 2dml s TYR 43 CO 0.18 -0.76 0.01 0.00 -1.52 0.00 0.00 175.55 173.45 2dml s ALA 44 N -2.73 0.59 -2.00 9.51 0.00 -1.26 -0.98 121.76 124.88 2dml s ALA 44 Ca 0.45 -0.04 0.07 0.00 0.00 0.00 0.00 51.96 52.43 2dml s ALA 44 Cb -0.04 -0.66 0.39 0.00 0.00 0.00 0.00 23.12 22.81 2dml s ALA 44 CO 0.28 -0.40 0.85 -0.35 0.00 0.00 0.00 175.76 176.14 2dml n PRO 45 N 5.01 0.49 -0.00 0.00 -0.04 -1.26 -2.06 135.00 137.13 2dml n PRO 45 Ca -0.09 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.37 2dml n PRO 45 Cb 0.50 -1.21 -0.01 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.71 0.00 -1.26 0.54 4.27 -1.26 -5.02 117.44 114.00 2dml n TRP 46 Ca 0.05 0.00 -0.18 0.00 -3.89 0.00 0.00 57.50 53.48 2dml n TRP 46 Cb 0.02 -0.03 0.13 0.00 -1.36 0.00 0.00 31.31 30.07 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 -0.81 -0.23 0.26 0.00 0.00 -1.26 -4.19 105.19 98.96 2dml n GLY 48 Ca 0.10 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.14 0.00 0.00 1.61 -0.00 -1.96 -0.28 115.15 114.39 2dml h HIS 49 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.30 2dml h HIS 49 Cb 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 2dml h HIS 49 CO -0.06 0.00 -0.37 0.00 -0.00 0.00 0.00 177.93 177.50 2dml h GLN 51 N -1.00 0.00 -0.01 0.00 4.20 -1.23 0.25 115.11 117.32 2dml h GLN 51 Ca -0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2dml h GLN 51 Cb 1.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.87 2dml h GLN 51 CO -0.06 0.00 -0.12 2.89 -0.67 0.00 0.00 178.83 180.87 2dml n ARG 52 N -3.84 1.23 -0.22 1.46 1.85 -0.89 -3.60 116.66 112.66 2dml n ARG 52 Ca -0.02 -0.70 0.12 0.00 -1.00 0.00 0.00 57.85 56.25 2dml n ARG 52 Cb 0.14 -1.49 0.24 0.00 -1.05 0.00 0.00 32.46 30.31 2dml n ARG 52 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2dml n LEU 53 N -0.28 3.43 0.07 2.89 7.94 0.88 -4.42 117.00 127.51 2dml n LEU 53 Ca 0.16 -1.52 -0.13 0.00 -1.11 0.00 0.00 56.01 53.41 2dml n LEU 53 Cb 0.34 -0.28 -0.08 0.00 0.53 0.00 0.00 43.42 43.93 2dml n LEU 53 CO 0.21 0.76 0.68 0.74 -1.11 0.00 0.00 177.39 178.68 2dml h THR 54 N 4.31 1.04 -0.20 1.96 2.02 -1.61 -0.78 112.91 119.65 2dml h THR 54 Ca 0.00 -0.59 -0.13 0.00 0.77 0.00 0.00 66.41 66.45 2dml h THR 54 Cb 0.96 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 2dml h THR 54 CO 0.00 0.14 -0.43 1.55 0.37 0.00 0.00 175.52 177.15 2dml h PRO 55 N -0.43 0.48 -0.35 6.66 0.13 -1.86 -1.02 132.00 135.62 2dml h PRO 55 Ca -0.02 -0.25 -0.15 0.00 -0.87 0.00 0.00 66.00 64.71 2dml h PRO 55 Cb 0.35 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 2dml h PRO 55 CO 0.03 0.83 -0.37 0.93 -0.23 0.00 0.00 178.00 179.18 2dml h GLU 56 N 0.40 0.82 -0.05 0.86 5.08 -1.77 -2.42 114.58 117.49 2dml h GLU 56 Ca 0.03 -0.42 -0.16 0.00 -1.00 0.00 0.00 59.36 57.82 2dml h GLU 56 Cb 0.92 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.19 2dml h GLU 56 CO 0.08 1.05 -0.59 2.35 -1.00 0.00 0.00 179.01 180.90 2dml h TRP 57 N 0.67 0.68 -0.14 4.33 -0.00 -1.08 -1.72 115.95 118.70 2dml h TRP 57 Ca 0.06 -0.34 0.03 0.00 -0.00 0.00 0.00 58.89 58.65 2dml h TRP 57 Cb 0.93 -0.09 -0.03 0.00 -0.00 0.00 0.00 29.16 29.97 2dml h TRP 57 CO 0.05 1.14 -0.08 0.87 -0.00 0.00 0.00 178.44 180.43 2dml h LYS 58 N 0.03 -0.07 -0.71 2.65 1.57 -1.20 -2.25 116.57 116.61 2dml h LYS 58 Ca -0.06 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.84 2dml h LYS 58 Cb 1.27 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 33.47 2dml h LYS 58 CO 0.12 -0.04 -0.38 0.87 -0.57 0.00 0.00 179.45 179.44 2dml h LYS 59 N -0.07 -0.13 -0.38 3.15 1.57 -1.52 0.64 116.57 119.84 2dml h LYS 59 Ca 0.08 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2dml h LYS 59 Cb 0.19 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2dml h LYS 59 CO -0.18 -0.08 0.25 0.00 -0.57 0.00 0.00 179.45 178.87 2dml h ALA 60 N 0.99 1.82 -0.50 3.86 0.00 -1.55 -1.78 119.26 122.09 2dml h ALA 60 Ca 0.25 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 2dml h ALA 60 Cb 0.56 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2dml h ALA 60 CO -0.77 0.15 -0.11 0.00 0.00 0.00 0.00 179.25 178.51 2dml h ALA 61 N 1.77 0.86 -0.68 0.00 0.00 0.78 0.21 119.26 122.20 2dml h ALA 61 Ca 0.15 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2dml h ALA 61 Cb 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2dml h ALA 61 CO -0.03 0.65 0.19 1.15 0.00 0.00 0.00 179.25 181.20 2dml h THR 62 N 0.83 1.25 0.04 0.00 2.02 -0.08 0.94 112.91 117.90 2dml h THR 62 Ca 0.13 -0.90 -0.06 0.00 0.77 0.00 0.00 66.41 66.36 2dml h THR 62 Cb 0.65 0.52 0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2dml h THR 62 CO 0.04 0.35 -0.25 0.00 0.37 0.00 0.00 175.52 176.03 2dml h ALA 63 N 1.19 -0.02 -0.14 6.16 0.00 -1.33 -3.27 119.26 121.86 2dml h ALA 63 Ca 0.22 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2dml h ALA 63 Cb 0.32 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2dml h ALA 63 CO -0.00 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.63 2dml n LEU 64 N -4.47 0.88 -0.23 0.00 4.77 0.72 -4.17 117.00 114.50 2dml n LEU 64 Ca -0.11 -0.41 0.03 0.00 -0.03 0.00 0.00 56.01 55.49 2dml n LEU 64 Cb 0.57 -0.09 0.15 0.00 -2.33 0.00 0.00 43.42 41.71 2dml n LEU 64 CO 0.39 0.21 0.91 0.50 -1.33 0.00 0.00 177.39 178.07 2dml h LYS 65 N 1.04 0.24 0.00 3.23 3.64 0.87 1.12 116.57 126.71 2dml h LYS 65 Ca 0.00 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2dml h LYS 65 Cb 0.23 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2dml h LYS 65 CO 0.00 0.16 -1.50 -0.25 -2.27 0.00 0.00 179.45 175.59 2dml n ASP 66 N -5.17 0.50 -0.00 4.20 8.00 -1.26 -4.56 116.55 118.26 2dml n ASP 66 Ca 0.12 0.20 -0.00 0.00 0.71 0.00 0.00 54.79 55.81 2dml n ASP 66 Cb 0.40 1.01 -0.00 0.00 -0.02 0.00 0.00 41.12 42.51 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 -3.10 2.53 2.07 -1.50 -3.47 116.25 112.79 2dml h VAL 67 Ca -0.05 -0.08 -0.67 0.00 0.82 0.00 0.00 66.70 66.72 2dml h VAL 67 Cb 1.14 0.00 -0.34 0.00 -1.52 0.00 0.00 31.29 30.57 2dml h VAL 67 CO 0.01 0.00 -0.85 -0.69 0.02 0.00 0.00 177.57 176.06 2dml s VAL 68 N -1.07 2.17 -0.54 2.57 1.01 0.38 -4.62 120.40 120.29 2dml s VAL 68 Ca -0.01 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 60.81 2dml s VAL 68 Cb 0.00 -1.91 -0.07 0.00 0.00 0.00 0.00 36.38 34.40 2dml s VAL 68 CO 0.01 0.53 2.32 -0.54 0.00 0.00 0.00 175.10 177.42 2dml s LYS 69 N 1.26 2.14 -0.53 2.72 -0.14 -0.53 -4.07 119.74 120.59 2dml s LYS 69 Ca 0.04 1.17 -0.20 0.00 -1.36 0.00 0.00 55.97 55.63 2dml s LYS 69 Cb -0.13 -4.58 0.06 0.00 -1.68 0.00 0.00 37.83 31.50 2dml s LYS 69 CO -0.11 -3.31 0.67 0.08 -0.76 0.00 0.00 175.35 171.92 2dml s VAL 70 N 11.95 4.81 0.00 3.17 1.01 -1.26 -0.61 120.40 139.46 2dml s VAL 70 Ca 0.92 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2dml s VAL 70 Cb -0.16 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 31.86 2dml s VAL 70 CO 0.23 -0.90 0.00 0.61 0.00 0.00 0.00 175.10 175.04 2dml n GLY 71 N 5.19 1.63 3.33 4.51 0.00 -0.32 -2.36 105.19 117.16 2dml n GLY 71 Ca -0.06 -1.93 0.02 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.61 -2.86 -0.19 4.61 0.00 -0.92 -4.27 121.76 115.52 2dml s ALA 72 Ca 0.00 1.91 -0.03 0.00 0.00 0.00 0.00 51.96 53.84 2dml s ALA 72 Cb 0.00 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 2dml s ALA 72 CO 0.00 -1.07 -0.06 0.08 0.00 0.00 0.00 175.76 174.71 2dml s VAL 73 N 2.55 3.38 -1.02 0.00 1.01 -1.17 -2.85 120.40 122.30 2dml s VAL 73 Ca -0.01 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 2dml s VAL 73 Cb -0.07 -2.51 -0.07 0.00 0.00 0.00 0.00 36.38 33.74 2dml s VAL 73 CO -0.16 0.45 1.94 0.21 0.00 0.00 0.00 175.10 177.54 2dml s ASN 74 N 1.10 5.09 0.34 3.32 3.84 -1.26 -2.65 114.94 124.72 2dml s ASN 74 Ca 0.01 -1.10 0.11 0.00 0.21 0.00 0.00 52.86 52.09 2dml s ASN 74 Cb -0.15 -2.57 1.03 0.00 -0.55 0.00 0.00 41.25 39.01 2dml s ASN 74 CO -0.01 -2.90 1.59 0.00 -2.79 0.00 0.00 177.10 172.99 2dml h ALA 75 N 10.63 1.66 -0.98 1.71 0.00 -1.34 1.41 119.26 132.34 2dml h ALA 75 Ca 0.15 0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.36 2dml h ALA 75 Cb 0.98 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 2dml h ALA 75 CO 1.22 -0.73 0.64 0.22 0.00 0.00 0.00 179.25 180.60 2dml h ASP 76 N 0.05 1.13 0.00 0.00 3.58 -1.87 0.60 116.42 119.91 2dml h ASP 76 Ca 0.71 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 58.12 2dml h ASP 76 Cb 1.68 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.45 2dml h ASP 76 CO -0.81 0.83 -0.27 0.50 -2.88 0.00 0.00 179.24 176.60 2dml h LYS 77 N 1.33 0.00 -1.66 0.28 3.64 0.10 -3.36 116.57 116.90 2dml h LYS 77 Ca 0.36 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.67 2dml h LYS 77 Cb -0.14 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 2dml h LYS 77 CO -0.08 0.00 0.09 0.72 -2.27 0.00 0.00 179.45 177.92 2dml n HIS 78 N -4.62 0.35 -0.43 1.91 8.25 0.34 -4.57 115.22 116.46 2dml n HIS 78 Ca -0.04 -1.08 0.37 0.00 -0.26 0.00 0.00 57.72 56.71 2dml n HIS 78 Cb 0.14 -0.53 0.63 0.00 1.12 0.00 0.00 29.99 31.34 2dml n HIS 78 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2dml n GLN 79 N 1.00 -0.04 0.07 -0.41 6.02 0.20 0.87 117.38 125.09 2dml n GLN 79 Ca 0.07 1.19 -0.12 0.00 -0.01 0.00 0.00 57.00 58.13 2dml n GLN 79 Cb 0.55 -2.32 -0.05 0.00 1.02 0.00 0.00 30.24 29.44 2dml n GLN 79 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 2dml h SER 80 N 0.00 -0.33 0.41 1.08 0.02 -1.83 -0.43 113.55 112.46 2dml h SER 80 Ca 0.82 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.80 2dml h SER 80 Cb 2.60 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 65.26 2dml h SER 80 CO -0.47 -0.17 -0.39 -0.07 -1.14 0.00 0.00 176.83 174.59 2dml h LEU 81 N -0.22 -1.05 -0.06 5.07 3.38 0.10 0.41 115.31 122.94 2dml h LEU 81 Ca 0.03 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2dml h LEU 81 Cb 0.25 0.34 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 2dml h LEU 81 CO -0.09 -0.52 -0.46 1.23 0.09 0.00 0.00 178.44 178.69 2dml h GLY 82 N -0.79 -1.17 1.70 0.83 0.00 -1.48 -0.29 103.07 101.87 2dml h GLY 82 Ca -0.05 0.67 0.04 0.00 0.00 0.00 0.00 47.33 47.98 2dml h GLY 82 CO -0.03 -0.26 0.12 -1.33 0.00 0.00 0.00 176.54 175.03 2dml h GLY 83 N -0.53 0.00 1.93 4.60 0.00 -1.06 0.11 103.07 108.12 2dml h GLY 83 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2dml h GLY 83 CO -0.34 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.02 2dml n GLN 84 N -3.99 0.03 -0.04 4.80 7.27 0.14 -3.02 117.38 122.58 2dml n GLN 84 Ca -0.00 0.26 -0.05 0.00 0.07 0.00 0.00 57.00 57.28 2dml n GLN 84 Cb 0.23 -1.50 -0.04 0.00 2.41 0.00 0.00 30.24 31.34 2dml n GLN 84 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2dml n TYR 85 N -1.47 0.00 0.00 3.69 4.02 0.30 -5.03 117.16 118.67 2dml n TYR 85 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 2dml n TYR 85 Cb 0.14 -0.31 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 2.94 0.54 3.66 2.72 0.00 -0.63 -5.09 105.19 109.34 2dml n GLY 86 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.54 4.55 -0.07 1.61 1.01 -0.85 -4.87 120.40 121.25 2dml s VAL 87 Ca 0.00 1.88 0.03 0.00 0.00 0.00 0.00 61.98 63.88 2dml s VAL 87 Cb 0.00 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 2dml s VAL 87 CO 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 175.10 174.91 2dml n GLN 88 N 6.36 1.37 -3.81 2.72 0.00 -1.26 -4.31 117.38 118.44 2dml n GLN 88 Ca 0.12 0.03 -0.13 0.00 0.00 0.00 0.00 57.00 57.02 2dml n GLN 88 Cb 0.46 -1.16 -0.15 0.00 0.00 0.00 0.00 30.24 29.39 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 -4.34 0.02 0.26 2.61 0.00 -1.26 -5.16 107.32 99.45 2dml s GLY 89 Ca -0.07 0.26 0.06 0.00 0.00 0.00 0.00 44.72 44.96 2dml s GLY 89 CO 0.21 0.43 0.35 -1.36 0.00 0.00 0.00 173.10 172.74 2dml s PHE 90 N 0.55 3.32 0.46 1.90 0.08 -1.26 -4.08 117.98 118.95 2dml s PHE 90 Ca -0.04 -0.08 -0.23 0.00 0.12 0.00 0.00 56.93 56.70 2dml s PHE 90 Cb -0.06 -1.63 -0.07 0.00 -0.57 0.00 0.00 43.02 40.68 2dml s PHE 90 CO -0.02 0.36 1.16 -1.25 -0.10 0.00 0.00 175.22 175.38 2dml s PRO 91 N -3.99 3.76 -0.31 0.24 0.04 -1.26 -4.89 135.00 128.59 2dml s PRO 91 Ca 0.36 1.77 0.01 0.00 0.04 0.00 0.00 61.00 63.18 2dml s PRO 91 Cb -0.09 -2.41 0.10 0.00 0.04 0.00 0.00 34.50 32.14 2dml s PRO 91 CO 0.29 -0.55 0.07 0.99 0.04 0.00 0.00 177.00 177.84 2dml s THR 92 N -1.54 1.33 -0.01 1.26 2.01 -0.64 -4.98 115.64 113.07 2dml s THR 92 Ca 0.63 -1.64 -0.18 0.00 0.31 0.00 0.00 61.69 60.82 2dml s THR 92 Cb -0.29 -1.96 -0.06 0.00 0.01 0.00 0.00 72.50 70.21 2dml s THR 92 CO 0.35 -0.59 0.50 -0.63 -0.69 0.00 0.00 174.62 173.55 2dml s ILE 93 N 1.40 4.97 -0.02 1.82 1.01 -1.26 0.19 121.20 129.31 2dml s ILE 93 Ca 0.09 1.03 0.03 0.00 0.00 0.00 0.00 60.65 61.79 2dml s ILE 93 Cb -0.18 -3.82 -0.00 0.00 0.01 0.00 0.00 42.46 38.47 2dml s ILE 93 CO -0.18 0.49 -0.09 -0.54 0.00 0.00 0.00 174.94 174.62 2dml s LYS 94 N -0.54 0.80 -0.16 2.79 -0.14 0.11 -2.85 119.74 119.75 2dml s LYS 94 Ca 0.27 -0.30 -0.09 0.00 -1.36 0.00 0.00 55.97 54.49 2dml s LYS 94 Cb -0.17 -0.77 -0.05 0.00 -1.68 0.00 0.00 37.83 35.16 2dml s LYS 94 CO 0.15 0.15 0.14 0.42 -0.76 0.00 0.00 175.35 175.45 2dml s ILE 95 N -0.00 5.45 -0.16 2.17 1.01 -0.54 -1.76 121.20 127.37 2dml s ILE 95 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.87 2dml s ILE 95 Cb -0.06 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2dml s ILE 95 CO -0.00 0.53 -0.16 -0.36 0.00 0.00 0.00 174.94 174.96 2dml s PHE 96 N -0.35 2.79 0.00 3.97 0.40 0.99 -1.06 117.98 124.72 2dml s PHE 96 Ca 0.12 -1.13 0.00 0.00 -0.60 0.00 0.00 56.93 55.32 2dml s PHE 96 Cb -0.12 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.51 2dml s PHE 96 CO 0.01 -0.53 0.00 0.41 0.70 0.00 0.00 175.22 175.81 2dml n GLY 97 N 4.19 -1.19 0.00 4.36 0.00 -1.26 -1.39 105.19 109.90 2dml n GLY 97 Ca -0.19 0.59 -0.00 0.00 0.00 0.00 0.00 46.02 46.41 2dml n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dml n ALA 98 N -3.00 -0.00 -3.91 4.61 0.00 -1.26 -3.85 120.51 113.10 2dml n ALA 98 Ca 0.00 0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2dml n ALA 98 Cb 0.00 0.43 -0.14 0.00 0.00 0.00 0.00 19.45 19.74 2dml n ALA 98 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2dml s ASN 99 N -3.02 4.91 0.61 0.00 2.47 -1.26 -4.90 114.94 113.75 2dml s ASN 99 Ca -0.00 -1.96 0.30 0.00 0.42 0.00 0.00 52.86 51.63 2dml s ASN 99 Cb 0.00 -1.70 1.71 0.00 -1.45 0.00 0.00 41.25 39.81 2dml s ASN 99 CO 0.00 -0.40 2.08 0.11 -3.72 0.00 0.00 177.10 175.17 2dml h LYS 100 N 7.81 0.00 0.00 0.43 1.79 -1.95 0.17 116.57 124.81 2dml h LYS 100 Ca -0.10 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.20 2dml h LYS 100 Cb 1.04 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.66 2dml h LYS 100 CO 0.57 0.00 -0.79 -0.91 -1.08 0.00 0.00 179.45 177.24 2dml h ASN 101 N 0.00 0.00 -3.02 0.86 2.35 -1.94 -3.41 115.58 110.42 2dml h ASN 101 Ca 0.08 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.26 2dml h ASN 101 Cb 0.55 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.52 2dml h ASN 101 CO -0.00 0.79 -0.78 -0.54 -1.65 0.00 0.00 177.43 175.26 2dml s LYS 102 N -3.18 0.64 1.20 0.81 1.02 0.58 -5.12 119.74 115.69 2dml s LYS 102 Ca -0.00 -1.13 -0.19 0.00 0.02 0.00 0.00 55.97 54.67 2dml s LYS 102 Cb 0.11 -1.72 0.28 0.00 -0.52 0.00 0.00 37.83 35.99 2dml s LYS 102 CO 0.79 -1.06 1.11 -1.25 -0.92 0.00 0.00 175.35 174.02 2dml s PRO 103 N 1.44 -1.18 0.18 -1.68 0.04 -1.22 -4.36 135.00 128.22 2dml s PRO 103 Ca 0.12 -0.05 0.09 0.00 0.04 0.00 0.00 61.00 61.21 2dml s PRO 103 Cb -0.19 -1.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 2dml s PRO 103 CO -0.19 -3.69 -0.12 -1.83 0.04 0.00 0.00 177.00 171.21 2dml s GLU 104 N -5.39 1.96 0.08 4.56 1.03 -0.22 -4.93 118.70 115.78 2dml s GLU 104 Ca 0.71 -1.32 -0.31 0.00 0.03 0.00 0.00 54.97 54.08 2dml s GLU 104 Cb -0.10 -2.10 -0.07 0.00 -0.80 0.00 0.00 34.13 31.07 2dml s GLU 104 CO 0.56 0.43 1.28 0.34 -1.33 0.00 0.00 175.26 176.54 2dml s ASP 105 N -2.80 6.97 -0.55 0.83 -1.08 -1.26 -1.47 116.67 117.31 2dml s ASP 105 Ca 0.24 2.14 -0.25 0.00 -0.52 0.00 0.00 52.55 54.16 2dml s ASP 105 Cb -0.09 -2.58 0.04 0.00 -1.46 0.00 0.00 42.92 38.83 2dml s ASP 105 CO 0.14 -0.56 1.02 -0.47 0.52 0.00 0.00 175.17 175.82 2dml s TYR 106 N 1.14 2.75 -0.52 -5.34 6.14 -1.13 -4.86 117.35 115.52 2dml s TYR 106 Ca 0.61 0.15 0.02 0.00 0.64 0.00 0.00 57.07 58.49 2dml s TYR 106 Cb -0.32 -4.20 0.45 0.00 0.42 0.00 0.00 41.96 38.30 2dml s TYR 106 CO 0.29 -1.40 1.70 1.04 0.64 0.00 0.00 175.55 177.82 2dml n GLN 107 N 7.74 3.06 -3.50 4.97 6.02 -1.26 -4.85 117.38 129.56 2dml n GLN 107 Ca 0.04 -3.65 -0.23 0.00 -0.01 0.00 0.00 57.00 53.16 2dml n GLN 107 Cb 0.48 -2.29 0.01 0.00 1.02 0.00 0.00 30.24 29.46 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 -0.83 2.71 3.74 1.08 0.00 -1.26 -5.09 105.19 105.54 2dml n GLY 108 Ca 0.55 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 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 -3.97 2.72 -0.00 -0.02 0.00 -1.26 -4.91 107.32 99.88 2dml s GLY 109 Ca 0.30 0.89 -0.03 0.00 0.00 0.00 0.00 44.72 45.88 2dml s GLY 109 CO 0.19 1.79 2.77 0.54 0.00 0.00 0.00 173.10 178.39 2dml n ARG 110 N 2.57 1.48 -4.70 2.90 1.74 -1.26 -3.29 116.66 116.10 2dml n ARG 110 Ca 0.04 -0.49 -0.25 0.00 -0.77 0.00 0.00 57.85 56.38 2dml n ARG 110 Cb 0.45 -1.48 -0.16 0.00 -1.02 0.00 0.00 32.46 30.25 2dml n ARG 110 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2dml s THR 111 N 0.44 1.27 0.47 0.55 -4.23 -1.26 -4.82 115.64 108.05 2dml s THR 111 Ca 0.32 -0.59 0.38 0.00 -1.18 0.00 0.00 61.69 60.63 2dml s THR 111 Cb 0.15 -1.12 0.56 0.00 1.34 0.00 0.00 72.50 73.43 2dml s THR 111 CO -0.00 0.38 1.25 0.61 -0.54 0.00 0.00 174.62 176.32 2dml n GLY 112 N 3.53 -0.79 0.14 3.99 0.00 -0.65 0.14 105.19 111.55 2dml n GLY 112 Ca -0.21 0.53 -0.04 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.23 -0.31 1.61 5.08 -1.92 -3.09 114.58 115.73 2dml h GLU 113 Ca 0.71 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 59.15 2dml h GLU 113 Cb 3.01 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 32.26 2dml h GLU 113 CO -0.01 -0.11 -0.04 0.00 -1.00 0.00 0.00 179.01 177.85 2dml h ALA 114 N -1.00 0.24 -0.91 3.43 0.00 -0.53 -1.61 119.26 118.87 2dml h ALA 114 Ca -0.02 0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.17 2dml h ALA 114 Cb 0.22 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 2dml h ALA 114 CO 0.04 -0.44 0.49 0.82 0.00 0.00 0.00 179.25 180.15 2dml h ILE 115 N 0.04 0.66 -0.77 0.00 2.04 -1.07 0.17 117.51 118.58 2dml h ILE 115 Ca 0.15 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2dml h ILE 115 Cb 0.22 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.25 2dml h ILE 115 CO -0.29 0.11 0.45 0.58 0.00 0.00 0.00 178.15 179.00 2dml h VAL 116 N 0.62 1.22 -0.02 1.67 2.07 -1.21 -0.08 116.25 120.52 2dml h VAL 116 Ca 0.52 -0.50 -0.20 0.00 0.82 0.00 0.00 66.70 67.35 2dml h VAL 116 Cb 0.83 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2dml h VAL 116 CO -0.41 0.23 -0.84 -0.78 0.02 0.00 0.00 177.57 175.80 2dml h ASP 117 N 1.06 0.36 0.17 0.57 1.82 -0.46 -3.03 116.42 116.91 2dml h ASP 117 Ca 0.27 -0.27 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 2dml h ASP 117 Cb -0.02 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 39.88 2dml h ASP 117 CO -0.05 1.05 -0.08 0.00 -1.61 0.00 0.00 179.24 178.55 2dml h ALA 118 N 0.93 -0.23 -0.95 -0.78 0.00 -0.30 -1.94 119.26 115.99 2dml h ALA 118 Ca -0.05 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.81 2dml h ALA 118 Cb 1.45 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.23 2dml h ALA 118 CO 0.14 -0.42 0.57 0.00 0.00 0.00 0.00 179.25 179.54 2dml h ALA 119 N 0.05 1.48 0.62 0.00 0.00 -1.12 -2.50 119.26 117.80 2dml h ALA 119 Ca -0.02 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2dml h ALA 119 Cb 0.48 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2dml h ALA 119 CO 0.04 0.07 -0.30 -0.07 0.00 0.00 0.00 179.25 178.99 2dml h LEU 120 N 0.83 -0.71 -1.00 0.00 3.38 -1.51 -0.53 115.31 115.77 2dml h LEU 120 Ca 0.50 -0.02 0.40 0.00 0.09 0.00 0.00 57.88 58.86 2dml h LEU 120 Cb 0.63 0.18 -0.17 0.00 0.09 0.00 0.00 40.66 41.39 2dml h LEU 120 CO -0.32 -0.35 0.55 -1.28 0.09 0.00 0.00 178.44 177.13 2dml h SER 121 N -1.12 0.36 0.04 -0.43 0.87 -0.99 0.58 113.55 112.87 2dml h SER 121 Ca -0.09 0.25 -0.18 0.00 -1.23 0.00 0.00 61.79 60.54 2dml h SER 121 Cb 0.68 0.24 0.02 0.00 -0.44 0.00 0.00 62.40 62.90 2dml h SER 121 CO 0.14 -0.38 -0.71 0.00 -0.53 0.00 0.00 176.83 175.35 2dml h ALA 122 N 1.97 0.03 0.10 6.23 0.00 -1.36 -3.08 119.26 123.15 2dml h ALA 122 Ca 0.83 -0.62 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2dml h ALA 122 Cb 2.14 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.93 2dml h ALA 122 CO -0.74 0.39 -0.45 1.25 0.00 0.00 0.00 179.25 179.71 2dml h LEU 123 N -0.12 -1.33 -0.52 0.00 7.12 0.18 0.15 115.31 120.79 2dml h LEU 123 Ca -0.10 0.15 0.09 0.00 0.13 0.00 0.00 57.88 58.15 2dml h LEU 123 Cb 1.45 0.50 -0.07 0.00 -0.53 0.00 0.00 40.66 42.00 2dml h LEU 123 CO 0.14 -0.50 0.11 0.03 -0.13 0.00 0.00 178.44 178.09 2dml h ARG 124 N -0.67 0.24 -0.35 1.25 3.08 -1.28 -0.07 114.38 116.59 2dml h ARG 124 Ca 0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2dml h ARG 124 Cb 0.70 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 2dml h ARG 124 CO -0.27 0.16 0.22 0.66 -1.07 0.00 0.00 179.97 179.68 2dml h SER 125 N 0.25 0.41 0.00 7.04 4.64 -1.31 -3.47 113.55 121.10 2dml h SER 125 Ca 0.27 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2dml h SER 125 Cb 0.36 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2dml h SER 125 CO -0.34 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 176.53 2dml n GLY 126 N -1.46 2.02 3.57 -0.77 0.00 0.47 -4.40 105.19 104.61 2dml n GLY 126 Ca 0.02 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 2.53 -0.18 1.61 0.04 -1.26 -4.27 135.00 133.47 2dml s PRO 127 Ca 0.00 -0.64 0.00 0.00 0.04 0.00 0.00 61.00 60.40 2dml s PRO 127 Cb 0.00 -5.13 0.01 0.00 0.04 0.00 0.00 34.50 29.42 2dml s PRO 127 CO 0.00 -3.62 -0.17 0.45 0.04 0.00 0.00 177.00 173.70 2dml s SER 128 N 7.42 3.38 -0.15 6.66 0.15 -1.26 -4.93 113.70 124.97 2dml s SER 128 Ca 0.69 -0.58 -0.02 0.00 0.70 0.00 0.00 55.95 56.74 2dml s SER 128 Cb -0.04 -1.53 0.02 0.00 -1.71 0.00 0.00 66.02 62.76 2dml s SER 128 CO 0.05 0.01 2.40 -1.54 1.20 0.00 0.00 173.24 175.36 2dml n SER 129 N 4.54 5.82 0.00 5.45 3.41 -1.26 -4.55 113.62 127.03 2dml n SER 129 Ca -0.20 -2.72 0.00 0.00 -0.26 0.00 0.00 58.87 55.68 2dml n SER 129 Cb 0.50 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 2dml n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49