#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 0.31 -0.01 1.61 0.01 -1.26 -5.17 113.70 109.19 2dml s SER 2 Ca 0.00 -1.37 -0.04 0.00 1.31 0.00 0.00 55.95 55.85 2dml s SER 2 Cb 0.00 0.34 -0.00 0.00 0.21 0.00 0.00 66.02 66.57 2dml s SER 2 CO 0.00 -0.81 0.08 -0.44 0.41 0.00 0.00 173.24 172.47 2dml s SER 3 N -3.17 0.03 0.00 2.44 0.01 -1.26 -5.15 113.70 106.60 2dml s SER 3 Ca 0.38 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.52 2dml s SER 3 Cb 0.07 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.47 2dml s SER 3 CO 0.11 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2dml n GLY 4 N 2.15 1.93 3.18 3.44 0.00 -1.26 -5.17 105.19 109.46 2dml n GLY 4 Ca -0.19 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 2dml n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dml s SER 5 N 2.00 0.24 -0.47 1.61 0.01 -1.26 -5.05 113.70 110.79 2dml s SER 5 Ca 0.00 -0.85 -0.02 0.00 1.31 0.00 0.00 55.95 56.39 2dml s SER 5 Cb 0.00 0.30 0.22 0.00 0.21 0.00 0.00 66.02 66.75 2dml s SER 5 CO 0.00 -0.71 2.26 -1.54 0.41 0.00 0.00 173.24 173.66 2dml n SER 6 N -0.03 6.78 -3.58 2.44 3.41 -1.26 -4.88 113.62 116.50 2dml n SER 6 Ca -0.13 -3.30 -0.08 0.00 -0.26 0.00 0.00 58.87 55.10 2dml n SER 6 Cb 0.62 -1.10 -0.04 0.00 -0.26 0.00 0.00 64.21 63.43 2dml n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dml s GLY 7 N -0.22 -0.24 -0.13 5.00 0.00 -1.26 -5.15 107.32 105.33 2dml s GLY 7 Ca 0.48 1.96 -0.18 0.00 0.00 0.00 0.00 44.72 46.97 2dml s GLY 7 CO -0.11 0.87 0.47 0.00 0.00 0.00 0.00 173.10 174.33 2dml s ALA 8 N -1.57 3.48 0.12 3.20 0.00 -1.26 -5.08 121.76 120.65 2dml s ALA 8 Ca 0.03 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 51.85 2dml s ALA 8 Cb -0.01 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 2dml s ALA 8 CO -0.02 -0.03 -0.20 0.08 0.00 0.00 0.00 175.76 175.59 2dml s VAL 9 N 0.69 1.72 0.66 0.00 1.01 -1.26 -5.11 120.40 118.10 2dml s VAL 9 Ca 0.25 -1.66 -0.18 0.00 0.00 0.00 0.00 61.98 60.40 2dml s VAL 9 Cb -0.15 -1.63 -0.15 0.00 0.00 0.00 0.00 36.38 34.45 2dml s VAL 9 CO 0.10 -0.16 -0.34 -1.20 0.00 0.00 0.00 175.10 173.51 2dml n SER 10 N 0.83 -4.41 0.00 3.32 7.64 -1.26 -4.98 113.62 114.76 2dml n SER 10 Ca -0.17 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2dml n SER 10 Cb 0.55 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 2dml n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dml n GLY 11 N 2.81 2.80 0.27 0.23 0.00 -1.26 -5.03 105.19 105.02 2dml n GLY 11 Ca 0.05 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 0.97 0.00 0.99 3.38 -1.96 -3.45 115.31 115.24 2dml h LEU 12 Ca 0.00 -0.43 -0.33 0.00 0.09 0.00 0.00 57.88 57.22 2dml h LEU 12 Cb 0.00 -0.27 0.03 0.00 0.09 0.00 0.00 40.66 40.51 2dml h LEU 12 CO 0.00 1.22 -0.01 -1.22 0.09 0.00 0.00 178.44 178.52 2dml n TYR 13 N -4.07 -2.67 -3.54 1.13 4.02 -1.26 -5.10 117.16 105.68 2dml n TYR 13 Ca -0.02 -1.38 -0.04 0.00 -0.01 0.00 0.00 57.90 56.45 2dml n TYR 13 Cb 0.53 -0.41 0.02 0.00 -0.02 0.00 0.00 39.34 39.46 2dml n TYR 13 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2dml n SER 14 N -2.65 -1.31 -0.14 7.72 7.64 -1.26 -5.05 113.62 118.58 2dml n SER 14 Ca 0.11 -1.86 -0.12 0.00 1.01 0.00 0.00 58.87 58.02 2dml n SER 14 Cb 0.41 2.17 -0.01 0.00 -1.01 0.00 0.00 64.21 65.76 2dml n SER 14 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dml h SER 15 N 1.20 0.94 -0.70 6.43 4.64 -2.01 -3.18 113.55 120.87 2dml h SER 15 Ca -0.19 -0.42 0.14 0.00 -0.47 0.00 0.00 61.79 60.85 2dml h SER 15 Cb 0.74 -0.26 -0.13 0.00 -0.31 0.00 0.00 62.40 62.44 2dml h SER 15 CO 0.25 1.15 -0.20 0.28 -0.87 0.00 0.00 176.83 177.44 2dml h SER 16 N 0.73 -0.74 -4.28 4.97 0.02 -1.96 -3.41 113.55 108.88 2dml h SER 16 Ca 0.09 0.22 -0.52 0.00 -0.84 0.00 0.00 61.79 60.74 2dml h SER 16 Cb 0.81 0.46 0.18 0.00 0.14 0.00 0.00 62.40 64.00 2dml h SER 16 CO 0.07 -0.25 0.25 1.51 -1.14 0.00 0.00 176.83 177.27 2dml s ASP 17 N -5.23 3.28 0.00 3.07 -4.77 -1.20 -4.89 116.67 106.93 2dml s ASP 17 Ca -0.14 2.12 0.21 0.00 -3.30 0.00 0.00 52.55 51.44 2dml s ASP 17 Cb 0.20 -2.56 0.95 0.00 -1.09 0.00 0.00 42.92 40.42 2dml s ASP 17 CO 0.74 -2.86 1.69 0.47 0.70 0.00 0.00 175.17 175.91 2dml n ASP 18 N -4.04 0.00 -4.72 2.11 9.92 -1.26 -4.77 116.55 113.78 2dml n ASP 18 Ca 0.11 0.41 -0.42 0.00 -0.53 0.00 0.00 54.79 54.37 2dml n ASP 18 Cb 0.52 -0.46 -0.03 0.00 -0.64 0.00 0.00 41.12 40.51 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 -2.93 3.96 -0.24 2.53 1.01 -1.26 -4.77 120.40 118.70 2dml s VAL 19 Ca 0.12 1.48 -0.23 0.00 0.00 0.00 0.00 61.98 63.35 2dml s VAL 19 Cb 0.14 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 2dml s VAL 19 CO 0.38 0.16 0.76 -0.63 0.00 0.00 0.00 175.10 175.76 2dml s ILE 20 N 0.69 4.90 -0.61 2.22 1.01 -1.02 -4.77 121.20 123.61 2dml s ILE 20 Ca 0.56 1.42 -0.26 0.00 0.00 0.00 0.00 60.65 62.37 2dml s ILE 20 Cb -0.30 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2dml s ILE 20 CO 0.31 -0.02 2.05 -0.70 0.00 0.00 0.00 174.94 176.58 2dml s GLU 21 N 2.61 2.42 -0.00 2.79 2.12 -1.26 -1.87 118.70 125.51 2dml s GLU 21 Ca 0.32 0.76 -0.25 0.00 0.36 0.00 0.00 54.97 56.16 2dml s GLU 21 Cb -0.15 -4.52 -0.04 0.00 0.26 0.00 0.00 34.13 29.67 2dml s GLU 21 CO 0.08 -3.02 0.78 -0.51 -0.54 0.00 0.00 175.26 172.06 2dml s LEU 22 N 10.32 4.39 0.17 2.70 1.43 -0.93 -4.93 118.68 131.83 2dml s LEU 22 Ca 0.77 1.40 0.03 0.00 -1.03 0.00 0.00 54.13 55.30 2dml s LEU 22 Cb -0.13 -3.24 -0.05 0.00 0.03 0.00 0.00 46.19 42.80 2dml s LEU 22 CO 0.20 -0.08 -0.05 0.42 0.23 0.00 0.00 176.35 177.06 2dml s THR 23 N 0.45 1.00 -1.14 5.49 -4.23 -1.26 -4.41 115.64 111.54 2dml s THR 23 Ca 0.41 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 2dml s THR 23 Cb -0.20 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.63 2dml s THR 23 CO 0.22 -0.60 0.28 -0.81 -0.54 0.00 0.00 174.62 173.17 2dml n PRO 24 N -0.25 0.49 0.00 3.99 -0.04 -1.26 0.50 135.00 138.43 2dml n PRO 24 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2dml n PRO 24 Cb 0.62 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 2dml n PRO 24 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dml n SER 25 N 0.15 4.55 0.00 3.54 7.64 -1.26 -4.80 113.62 123.44 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 0.79 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 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 -1.50 3.43 -0.47 6.43 6.94 -0.84 -4.75 115.26 124.50 2dml n ASN 26 Ca 0.00 0.00 0.37 0.00 -0.02 0.00 0.00 54.58 54.93 2dml n ASN 26 Cb 0.12 0.68 0.59 0.00 -2.36 0.00 0.00 39.78 38.81 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 -1.04 0.25 0.05 -2.53 -0.00 0.18 0.25 117.46 114.62 2dml n PHE 27 Ca 0.00 0.25 -0.22 0.00 -0.00 0.00 0.00 57.45 57.49 2dml n PHE 27 Cb 0.01 -0.65 -0.15 0.00 -0.00 0.00 0.00 39.48 38.70 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 0.51 0.54 -2.13 -1.24 -1.85 -0.42 115.58 110.99 2dml h ASN 28 Ca 0.71 -0.91 0.00 0.00 0.71 0.00 0.00 56.30 56.81 2dml h ASN 28 Cb 2.62 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 41.50 2dml h ASN 28 CO -0.17 1.56 0.00 0.54 -1.29 0.00 0.00 177.43 178.07 2dml n ARG 29 N -3.95 0.39 -0.09 6.67 5.12 0.68 0.24 116.66 125.72 2dml n ARG 29 Ca -0.19 0.02 -0.20 0.00 -1.93 0.00 0.00 57.85 55.55 2dml n ARG 29 Cb 0.92 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 30.65 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 0.39 -0.04 5.56 -0.58 0.31 -4.56 120.64 120.42 2dml n GLU 30 Ca 0.13 0.17 -0.04 0.00 -0.42 0.00 0.00 57.16 57.00 2dml n GLU 30 Cb 0.23 -1.15 -0.01 0.00 -0.57 0.00 0.00 31.44 29.93 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 0.76 -0.30 2.62 0.31 -0.19 -4.10 118.33 113.60 2dml n VAL 31 Ca -0.36 0.32 0.26 0.00 -0.01 0.00 0.00 64.34 64.55 2dml n VAL 31 Cb 0.75 -1.93 0.59 0.00 -0.91 0.00 0.00 33.84 32.34 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 -0.51 0.51 -0.81 2.52 1.08 -1.18 0.71 117.51 119.83 2dml h ILE 32 Ca 0.00 -0.09 -0.42 0.00 -0.39 0.00 0.00 64.86 63.96 2dml h ILE 32 Cb 0.48 0.23 -0.25 0.00 -3.07 0.00 0.00 36.82 34.21 2dml h ILE 32 CO 0.00 0.05 0.53 0.00 -0.69 0.00 0.00 178.15 178.04 2dml n GLN 33 N -4.47 2.01 -4.17 2.37 1.13 0.66 -4.87 117.38 110.04 2dml n GLN 33 Ca 0.24 -2.43 -0.34 0.00 -1.94 0.00 0.00 57.00 52.53 2dml n GLN 33 Cb 0.96 -1.95 -0.15 0.00 0.11 0.00 0.00 30.24 29.21 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 -0.86 3.67 -0.10 1.08 0.15 0.25 -4.81 113.70 113.08 2dml s SER 34 Ca 0.46 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.62 2dml s SER 34 Cb 0.39 -1.59 0.19 0.00 -1.71 0.00 0.00 66.02 63.30 2dml s SER 34 CO 0.09 0.02 1.08 -0.67 1.20 0.00 0.00 173.24 174.96 2dml n ASP 35 N 4.51 2.84 0.00 5.45 -0.08 -1.26 -4.82 116.55 123.19 2dml n ASP 35 Ca -0.19 -2.35 0.00 0.00 -1.51 0.00 0.00 54.79 50.73 2dml n ASP 35 Cb 0.51 -0.57 0.00 0.00 2.34 0.00 0.00 41.12 43.39 2dml n ASP 35 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dml n GLY 36 N 0.11 5.41 3.62 0.27 0.00 -1.26 -4.86 105.19 108.48 2dml n GLY 36 Ca 0.13 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 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 3.58 -0.04 0.99 2.96 -1.26 -4.53 118.68 120.38 2dml s LEU 37 Ca 0.00 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.01 2dml s LEU 37 Cb 0.00 -1.86 -0.00 0.00 0.50 0.00 0.00 46.19 44.83 2dml s LEU 37 CO 0.00 0.26 -0.16 0.26 -1.32 0.00 0.00 176.35 175.38 2dml s TRP 38 N -0.16 1.65 -0.37 5.38 0.52 -0.15 -1.19 118.94 124.63 2dml s TRP 38 Ca 0.05 -0.48 0.00 0.00 0.02 0.00 0.00 56.10 55.70 2dml s TRP 38 Cb -0.12 -1.12 0.10 0.00 -1.15 0.00 0.00 33.47 31.18 2dml s TRP 38 CO 0.02 -0.17 0.12 -0.51 0.02 0.00 0.00 176.95 176.43 2dml s LEU 39 N 0.08 4.92 -0.22 2.99 1.43 0.56 0.51 118.68 128.94 2dml s LEU 39 Ca -0.04 -2.03 -0.09 0.00 -1.03 0.00 0.00 54.13 50.93 2dml s LEU 39 Cb -0.11 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 2dml s LEU 39 CO 0.02 -0.45 0.12 -0.69 0.23 0.00 0.00 176.35 175.59 2dml s VAL 40 N 1.04 5.09 -0.22 -1.59 1.01 -0.50 -1.28 120.40 123.95 2dml s VAL 40 Ca 0.08 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 2dml s VAL 40 Cb -0.21 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.84 2dml s VAL 40 CO -0.06 0.38 -0.13 -0.70 0.00 0.00 0.00 175.10 174.60 2dml s GLU 41 N 0.88 2.92 -0.64 2.72 -6.30 -1.26 0.18 118.70 117.19 2dml s GLU 41 Ca 0.06 -0.90 -0.25 0.00 -2.50 0.00 0.00 54.97 51.38 2dml s GLU 41 Cb -0.13 -2.79 0.05 0.00 0.00 0.00 0.00 34.13 31.25 2dml s GLU 41 CO 0.03 -0.30 1.08 -0.06 0.02 0.00 0.00 175.26 176.02 2dml s PHE 42 N 1.31 2.59 0.55 5.30 0.40 0.85 -2.69 117.98 126.29 2dml s PHE 42 Ca 0.02 -0.13 0.06 0.00 -0.60 0.00 0.00 56.93 56.29 2dml s PHE 42 Cb -0.15 -4.36 0.05 0.00 0.51 0.00 0.00 43.02 39.07 2dml s PHE 42 CO -0.08 -1.68 0.50 1.52 0.70 0.00 0.00 175.22 176.18 2dml s TYR 43 N 4.62 1.57 -0.05 0.36 -0.85 -1.04 -1.92 117.35 120.04 2dml s TYR 43 Ca 0.31 -0.82 -0.02 0.00 -0.52 0.00 0.00 57.07 56.03 2dml s TYR 43 Cb -0.12 -1.98 0.03 0.00 0.38 0.00 0.00 41.96 40.27 2dml s TYR 43 CO 0.16 -0.64 0.03 0.00 -1.52 0.00 0.00 175.55 173.59 2dml s ALA 44 N -2.75 0.43 -2.00 9.51 0.00 -1.26 -0.84 121.76 124.85 2dml s ALA 44 Ca 0.40 0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.49 2dml s ALA 44 Cb -0.03 -0.66 0.39 0.00 0.00 0.00 0.00 23.12 22.82 2dml s ALA 44 CO 0.25 -0.45 0.84 -0.35 0.00 0.00 0.00 175.76 176.05 2dml n PRO 45 N 5.17 0.49 -0.00 0.00 -0.04 -1.26 -1.89 135.00 137.47 2dml n PRO 45 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2dml n PRO 45 Cb 0.50 -1.21 -0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 -2.39 0.54 4.27 -1.26 -5.03 117.44 112.86 2dml n TRP 46 Ca 0.05 0.00 -0.26 0.00 -3.89 0.00 0.00 57.50 53.40 2dml n TRP 46 Cb 0.02 -0.01 0.15 0.00 -1.36 0.00 0.00 31.31 30.11 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 -3.21 -0.38 0.25 0.00 0.00 -1.26 -3.97 105.19 96.61 2dml n GLY 48 Ca 0.17 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.35 0.00 0.05 1.61 -0.00 -1.95 0.14 115.15 114.64 2dml h HIS 49 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 60.18 2dml h HIS 49 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.75 2dml h HIS 49 CO -0.15 0.00 -0.99 0.00 -0.00 0.00 0.00 177.93 176.79 2dml h GLN 51 N -0.72 0.00 -0.01 0.00 4.20 -0.90 -0.43 115.11 117.24 2dml h GLN 51 Ca -0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2dml h GLN 51 Cb 1.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.19 2dml h GLN 51 CO -0.05 0.00 -0.15 2.89 -0.67 0.00 0.00 178.83 180.85 2dml n ARG 52 N -3.02 1.34 -0.12 1.46 -4.01 -0.66 -3.72 116.66 107.93 2dml n ARG 52 Ca -0.01 -0.87 0.11 0.00 -1.04 0.00 0.00 57.85 56.04 2dml n ARG 52 Cb 0.17 -1.48 0.16 0.00 -3.04 0.00 0.00 32.46 28.27 2dml n ARG 52 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2dml n LEU 53 N -0.07 3.14 0.08 2.89 7.94 -0.17 -4.48 117.00 126.32 2dml n LEU 53 Ca 0.15 -1.36 -0.13 0.00 -1.11 0.00 0.00 56.01 53.56 2dml n LEU 53 Cb 0.39 -0.16 -0.08 0.00 0.53 0.00 0.00 43.42 44.09 2dml n LEU 53 CO 0.21 0.64 0.69 0.74 -1.11 0.00 0.00 177.39 178.57 2dml h THR 54 N 4.08 1.00 0.00 1.96 2.02 -1.64 0.87 112.91 121.20 2dml h THR 54 Ca 0.00 -0.53 -0.08 0.00 0.77 0.00 0.00 66.41 66.58 2dml h THR 54 Cb 0.91 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 2dml h THR 54 CO 0.00 0.13 -0.38 1.55 0.37 0.00 0.00 175.52 177.19 2dml h PRO 55 N -0.42 0.00 0.09 6.66 0.13 -1.85 -0.84 132.00 135.76 2dml h PRO 55 Ca -0.02 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.86 2dml h PRO 55 Cb 0.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 2dml h PRO 55 CO 0.03 0.38 -1.16 0.93 -0.23 0.00 0.00 178.00 177.95 2dml h GLU 56 N 0.00 0.19 0.14 0.86 5.08 -1.77 -3.12 114.58 115.96 2dml h GLU 56 Ca -0.00 -0.32 -0.26 0.00 -1.00 0.00 0.00 59.36 57.78 2dml h GLU 56 Cb 0.78 0.12 0.03 0.00 0.50 0.00 0.00 28.75 30.17 2dml h GLU 56 CO 0.05 1.15 -1.11 2.35 -1.00 0.00 0.00 179.01 180.45 2dml h TRP 57 N 0.05 0.84 -0.26 4.33 -0.00 -0.69 -0.80 115.95 119.42 2dml h TRP 57 Ca -0.09 -0.56 0.04 0.00 -0.00 0.00 0.00 58.89 58.27 2dml h TRP 57 Cb 1.90 -0.05 -0.03 0.00 -0.00 0.00 0.00 29.16 30.97 2dml h TRP 57 CO 0.04 1.42 0.04 0.87 -0.00 0.00 0.00 178.44 180.81 2dml h LYS 58 N 0.03 0.14 -0.35 2.65 1.57 -1.27 -2.44 116.57 116.89 2dml h LYS 58 Ca -0.18 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2dml h LYS 58 Cb 1.83 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 34.03 2dml h LYS 58 CO 0.21 0.09 -0.48 0.87 -0.57 0.00 0.00 179.45 179.58 2dml h LYS 59 N 0.14 -0.38 -0.84 3.15 1.57 -1.65 0.23 116.57 118.79 2dml h LYS 59 Ca 0.12 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 59.09 2dml h LYS 59 Cb 0.13 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 2dml h LYS 59 CO -0.16 -0.25 0.55 0.00 -0.57 0.00 0.00 179.45 179.02 2dml h ALA 60 N 0.19 2.08 -0.46 3.86 0.00 -1.59 -0.20 119.26 123.14 2dml h ALA 60 Ca 0.10 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2dml h ALA 60 Cb 0.61 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2dml h ALA 60 CO -0.55 -0.33 -0.19 0.00 0.00 0.00 0.00 179.25 178.18 2dml h ALA 61 N 1.62 0.65 -0.64 0.00 0.00 -0.18 0.24 119.26 120.95 2dml h ALA 61 Ca 0.42 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2dml h ALA 61 Cb 0.94 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2dml h ALA 61 CO -0.16 0.61 0.22 1.15 0.00 0.00 0.00 179.25 181.06 2dml h THR 62 N 0.79 1.23 0.08 0.00 2.02 0.89 1.14 112.91 119.06 2dml h THR 62 Ca 0.11 -0.78 -0.11 0.00 0.77 0.00 0.00 66.41 66.40 2dml h THR 62 Cb 0.76 0.52 0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2dml h THR 62 CO 0.06 0.31 -0.47 0.00 0.37 0.00 0.00 175.52 175.79 2dml h ALA 63 N 1.30 -0.05 -0.22 6.16 0.00 -1.27 -3.28 119.26 121.90 2dml h ALA 63 Ca 0.21 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2dml h ALA 63 Cb 0.24 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2dml h ALA 63 CO -0.01 0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.73 2dml n LEU 64 N -4.33 1.29 -0.24 0.00 4.77 0.84 -4.29 117.00 115.04 2dml n LEU 64 Ca -0.12 -0.62 0.02 0.00 -0.03 0.00 0.00 56.01 55.26 2dml n LEU 64 Cb 0.67 -0.15 0.11 0.00 -2.33 0.00 0.00 43.42 41.73 2dml n LEU 64 CO 0.42 0.31 0.78 0.50 -1.33 0.00 0.00 177.39 178.07 2dml h LYS 65 N 1.46 0.05 0.00 3.23 3.64 0.13 1.23 116.57 126.32 2dml h LYS 65 Ca 0.00 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2dml h LYS 65 Cb 0.33 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2dml h LYS 65 CO 0.00 0.03 -1.45 -0.25 -2.27 0.00 0.00 179.45 175.52 2dml n ASP 66 N -5.39 0.59 -0.01 4.20 9.92 -1.26 -4.56 116.55 120.04 2dml n ASP 66 Ca 0.11 0.24 -0.00 0.00 -0.53 0.00 0.00 54.79 54.61 2dml n ASP 66 Cb 0.40 0.77 -0.00 0.00 -0.64 0.00 0.00 41.12 41.65 2dml n ASP 66 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2dml h VAL 67 N 0.00 0.00 -3.24 2.53 2.07 -1.41 -3.47 116.25 112.73 2dml h VAL 67 Ca -0.08 -0.16 -0.65 0.00 0.82 0.00 0.00 66.70 66.63 2dml h VAL 67 Cb 1.25 0.00 -0.34 0.00 -1.52 0.00 0.00 31.29 30.68 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 -1.11 1.90 -0.59 2.57 1.01 0.41 -4.69 120.40 119.91 2dml s VAL 68 Ca -0.00 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.82 2dml s VAL 68 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2dml s VAL 68 CO 0.01 0.52 2.10 -0.54 0.00 0.00 0.00 175.10 177.18 2dml s LYS 69 N 0.79 2.38 -0.58 2.72 -0.14 -0.33 -4.04 119.74 120.53 2dml s LYS 69 Ca -0.09 0.86 -0.19 0.00 -1.36 0.00 0.00 55.97 55.19 2dml s LYS 69 Cb -0.16 -4.51 0.09 0.00 -1.68 0.00 0.00 37.83 31.57 2dml s LYS 69 CO -0.00 -3.04 0.72 0.08 -0.76 0.00 0.00 175.35 172.35 2dml s VAL 70 N 10.55 4.77 0.00 3.17 1.01 -1.26 -0.32 120.40 138.31 2dml s VAL 70 Ca 0.80 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2dml s VAL 70 Cb -0.14 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.76 2dml s VAL 70 CO 0.21 -1.10 0.00 0.61 0.00 0.00 0.00 175.10 174.82 2dml n GLY 71 N 5.26 1.34 3.42 4.51 0.00 -0.41 -2.43 105.19 116.89 2dml n GLY 71 Ca -0.08 -1.85 0.01 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.93 -2.70 -0.16 4.61 0.00 -0.78 -4.28 121.76 115.52 2dml s ALA 72 Ca 0.00 2.05 0.01 0.00 0.00 0.00 0.00 51.96 54.02 2dml s ALA 72 Cb 0.00 -2.03 0.01 0.00 0.00 0.00 0.00 23.12 21.10 2dml s ALA 72 CO 0.00 -0.85 -0.19 0.08 0.00 0.00 0.00 175.76 174.80 2dml s VAL 73 N 2.22 2.29 -0.94 0.00 1.01 -1.09 -2.18 120.40 121.70 2dml s VAL 73 Ca -0.03 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.81 2dml s VAL 73 Cb -0.05 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2dml s VAL 73 CO -0.17 0.53 1.81 0.21 0.00 0.00 0.00 175.10 177.49 2dml s ASN 74 N 0.94 5.51 0.38 3.32 2.47 -1.26 -2.50 114.94 123.79 2dml s ASN 74 Ca -0.03 -0.90 0.21 0.00 0.42 0.00 0.00 52.86 52.55 2dml s ASN 74 Cb -0.15 -2.56 1.26 0.00 -1.45 0.00 0.00 41.25 38.35 2dml s ASN 74 CO -0.04 -2.42 1.63 0.00 -3.72 0.00 0.00 177.10 172.56 2dml h ALA 75 N 10.86 2.26 -0.30 1.71 0.00 -1.27 0.99 119.26 133.51 2dml h ALA 75 Ca 0.13 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2dml h ALA 75 Cb 1.00 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2dml h ALA 75 CO 1.27 -0.92 0.15 0.22 0.00 0.00 0.00 179.25 179.97 2dml h ASP 76 N 0.17 0.39 0.00 0.00 3.58 -1.88 -1.25 116.42 117.42 2dml h ASP 76 Ca 0.79 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 58.12 2dml h ASP 76 Cb 2.10 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 43.05 2dml h ASP 76 CO -0.59 0.39 -0.05 0.50 -2.88 0.00 0.00 179.24 176.62 2dml h LYS 77 N 0.36 0.00 -1.94 0.28 3.64 -0.22 -3.34 116.57 115.35 2dml h LYS 77 Ca 0.10 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 2dml h LYS 77 Cb 0.10 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2dml h LYS 77 CO -0.01 0.07 0.02 0.72 -2.27 0.00 0.00 179.45 177.98 2dml n HIS 78 N -4.75 0.23 -0.48 1.91 8.25 0.29 -4.55 115.22 116.11 2dml n HIS 78 Ca -0.01 -1.20 0.41 0.00 -0.26 0.00 0.00 57.72 56.66 2dml n HIS 78 Cb 0.06 -0.69 0.73 0.00 1.12 0.00 0.00 29.99 31.21 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 1.30 0.06 -0.42 -0.41 4.20 -1.35 0.67 115.11 119.15 2dml h GLN 79 Ca 0.06 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 2dml h GLN 79 Cb 1.04 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 2dml h GLN 79 CO 0.14 0.04 0.13 0.77 -0.67 0.00 0.00 178.83 179.24 2dml h SER 80 N 0.06 0.61 0.56 1.46 0.02 -1.84 -1.34 113.55 113.08 2dml h SER 80 Ca 0.76 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 61.47 2dml h SER 80 Cb 2.77 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 65.16 2dml h SER 80 CO -0.14 0.65 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.86 2dml h LEU 81 N 0.53 -0.64 0.35 5.07 3.38 -0.04 0.10 115.31 124.06 2dml h LEU 81 Ca 0.13 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2dml h LEU 81 Cb 0.26 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2dml h LEU 81 CO -0.00 -0.37 -0.40 1.23 0.09 0.00 0.00 178.44 178.98 2dml h GLY 82 N -0.88 -1.15 0.56 0.83 0.00 -1.47 -2.54 103.07 98.41 2dml h GLY 82 Ca -0.08 0.55 0.13 0.00 0.00 0.00 0.00 47.33 47.93 2dml h GLY 82 CO 0.13 -0.34 0.57 -1.33 0.00 0.00 0.00 176.54 175.56 2dml h GLY 83 N -0.76 1.21 1.56 4.60 0.00 -1.32 0.16 103.07 108.52 2dml h GLY 83 Ca -0.04 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2dml h GLY 83 CO -0.08 0.11 0.18 -1.61 0.00 0.00 0.00 176.54 175.14 2dml h GLN 84 N 0.72 0.00 0.00 4.80 4.15 -0.53 -1.79 115.11 122.47 2dml h GLN 84 Ca 0.44 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.66 2dml h GLN 84 Cb 0.66 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.32 2dml h GLN 84 CO -0.20 0.00 -1.74 0.66 -1.93 0.00 0.00 178.83 175.62 2dml n TYR 85 N -2.33 0.00 0.00 3.99 4.02 0.44 -5.03 117.16 118.25 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 0.21 -0.51 0.00 0.00 -0.02 0.00 0.00 39.34 39.02 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 2.70 0.90 3.64 2.72 0.00 -0.44 -5.11 105.19 109.61 2dml n GLY 86 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.90 4.51 0.00 1.61 1.01 -0.85 -4.83 120.40 120.95 2dml s VAL 87 Ca 0.00 1.75 0.00 0.00 0.00 0.00 0.00 61.98 63.73 2dml s VAL 87 Cb 0.00 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.98 2dml s VAL 87 CO 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 175.10 174.64 2dml n GLN 88 N 6.84 3.36 -3.82 2.72 10.64 -1.26 -4.25 117.38 131.61 2dml n GLN 88 Ca 0.12 0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 55.03 2dml n GLN 88 Cb 0.47 -0.93 -0.17 0.00 -0.86 0.00 0.00 30.24 28.74 2dml n GLN 88 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2dml s GLY 89 N -2.70 0.69 0.31 2.61 0.00 -1.26 -5.14 107.32 101.83 2dml s GLY 89 Ca 0.00 -0.46 0.03 0.00 0.00 0.00 0.00 44.72 44.29 2dml s GLY 89 CO 0.00 1.08 0.46 -1.36 0.00 0.00 0.00 173.10 173.28 2dml s PHE 90 N 1.83 3.40 0.51 1.90 0.08 -1.26 -4.15 117.98 120.29 2dml s PHE 90 Ca 0.03 0.09 -0.21 0.00 0.12 0.00 0.00 56.93 56.97 2dml s PHE 90 Cb -0.14 -1.80 -0.06 0.00 -0.57 0.00 0.00 43.02 40.45 2dml s PHE 90 CO -0.07 0.21 1.14 -1.25 -0.10 0.00 0.00 175.22 175.15 2dml s PRO 91 N -4.16 3.49 -0.27 0.24 0.04 -1.26 -4.87 135.00 128.21 2dml s PRO 91 Ca 0.39 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 2dml s PRO 91 Cb -0.09 -2.14 0.08 0.00 0.04 0.00 0.00 34.50 32.39 2dml s PRO 91 CO 0.32 -0.75 0.06 0.99 0.04 0.00 0.00 177.00 177.67 2dml s THR 92 N -1.69 0.83 0.03 1.26 2.01 -0.81 -4.98 115.64 112.29 2dml s THR 92 Ca 0.70 -1.12 -0.18 0.00 0.31 0.00 0.00 61.69 61.40 2dml s THR 92 Cb -0.25 -1.49 -0.06 0.00 0.01 0.00 0.00 72.50 70.71 2dml s THR 92 CO 0.29 -0.47 0.51 -0.63 -0.69 0.00 0.00 174.62 173.63 2dml s ILE 93 N 1.67 4.88 -0.02 1.82 1.01 -1.26 -0.10 121.20 129.19 2dml s ILE 93 Ca 0.05 1.06 0.02 0.00 0.00 0.00 0.00 60.65 61.79 2dml s ILE 93 Cb -0.17 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2dml s ILE 93 CO -0.18 0.54 -0.09 -0.54 0.00 0.00 0.00 174.94 174.68 2dml s LYS 94 N -0.94 0.88 -0.15 2.79 -0.14 0.13 -2.70 119.74 119.61 2dml s LYS 94 Ca 0.27 -0.29 -0.08 0.00 -1.36 0.00 0.00 55.97 54.51 2dml s LYS 94 Cb -0.18 -0.84 -0.04 0.00 -1.68 0.00 0.00 37.83 35.09 2dml s LYS 94 CO 0.16 0.12 0.12 0.42 -0.76 0.00 0.00 175.35 175.41 2dml s ILE 95 N 0.15 5.33 -0.19 2.17 1.01 -0.71 -1.41 121.20 127.55 2dml s ILE 95 Ca -0.02 0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.77 2dml s ILE 95 Cb -0.08 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 39.03 2dml s ILE 95 CO 0.00 0.54 -0.14 -0.36 0.00 0.00 0.00 174.94 174.98 2dml s PHE 96 N -0.37 2.83 0.00 3.97 0.40 0.18 -0.71 117.98 124.29 2dml s PHE 96 Ca 0.11 -1.26 0.00 0.00 -0.60 0.00 0.00 56.93 55.18 2dml s PHE 96 Cb -0.12 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.45 2dml s PHE 96 CO 0.01 -0.64 0.00 0.41 0.70 0.00 0.00 175.22 175.71 2dml n GLY 97 N 4.52 1.92 0.05 4.36 0.00 -1.26 -0.98 105.19 113.80 2dml n GLY 97 Ca -0.20 0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.08 -3.08 4.61 0.00 -1.26 -3.77 120.51 113.93 2dml n ALA 98 Ca 0.00 0.11 -0.38 0.00 0.00 0.00 0.00 53.44 53.17 2dml n ALA 98 Cb 0.00 0.24 -0.12 0.00 0.00 0.00 0.00 19.45 19.57 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 -3.46 5.32 0.14 0.00 2.47 -1.26 -4.95 114.94 113.20 2dml s ASN 99 Ca -0.02 -0.78 0.23 0.00 0.42 0.00 0.00 52.86 52.72 2dml s ASN 99 Cb 0.01 -1.92 0.90 0.00 -1.45 0.00 0.00 41.25 38.79 2dml s ASN 99 CO 0.08 -0.24 1.71 0.29 -3.72 0.00 0.00 177.10 175.22 2dml n LYS 100 N 4.90 0.13 0.04 0.43 4.76 -1.25 -2.71 118.16 124.47 2dml n LYS 100 Ca -0.14 0.26 -0.05 0.00 -2.87 0.00 0.00 58.31 55.52 2dml n LYS 100 Cb 0.47 -1.71 -0.10 0.00 -1.84 0.00 0.00 35.03 31.86 2dml n LYS 100 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 2dml h ASN 101 N 0.00 0.00 -3.02 4.39 2.35 -1.93 -3.43 115.58 113.94 2dml h ASN 101 Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 2dml h ASN 101 Cb 0.45 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.42 2dml h ASN 101 CO 0.00 0.84 -0.78 -0.54 -1.65 0.00 0.00 177.43 175.30 2dml s LYS 102 N -2.75 0.70 1.14 0.81 1.02 -1.10 -5.12 119.74 114.44 2dml s LYS 102 Ca -0.01 -1.24 -0.17 0.00 0.02 0.00 0.00 55.97 54.57 2dml s LYS 102 Cb 0.09 -1.73 0.26 0.00 -0.52 0.00 0.00 37.83 35.92 2dml s LYS 102 CO 0.81 -1.09 1.10 -1.25 -0.92 0.00 0.00 175.35 174.01 2dml s PRO 103 N 1.30 -0.72 0.08 -1.68 0.04 -1.25 -4.58 135.00 128.20 2dml s PRO 103 Ca 0.13 0.12 0.03 0.00 0.04 0.00 0.00 61.00 61.32 2dml s PRO 103 Cb -0.20 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 2dml s PRO 103 CO -0.15 -3.41 0.07 -1.21 0.04 0.00 0.00 177.00 172.34 2dml s GLU 104 N -5.26 2.85 -0.37 4.56 2.02 0.11 -4.90 118.70 117.71 2dml s GLU 104 Ca 0.69 -0.71 -0.29 0.00 0.02 0.00 0.00 54.97 54.68 2dml s GLU 104 Cb -0.13 -2.70 -0.00 0.00 0.10 0.00 0.00 34.13 31.40 2dml s GLU 104 CO 0.57 0.56 1.54 -0.51 0.02 0.00 0.00 175.26 177.44 2dml s ASP 105 N -2.41 6.21 -0.41 -0.19 1.11 -1.26 -1.74 116.67 117.97 2dml s ASP 105 Ca 0.29 1.03 -0.28 0.00 0.18 0.00 0.00 52.55 53.77 2dml s ASP 105 Cb -0.12 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.31 2dml s ASP 105 CO 0.22 -1.50 1.83 -0.47 1.18 0.00 0.00 175.17 176.43 2dml s TYR 106 N 5.85 1.75 -0.27 4.23 6.14 -1.10 -4.83 117.35 129.12 2dml s TYR 106 Ca 0.68 0.71 0.11 0.00 0.64 0.00 0.00 57.07 59.20 2dml s TYR 106 Cb -0.17 -4.10 0.54 0.00 0.42 0.00 0.00 41.96 38.66 2dml s TYR 106 CO 0.33 -2.75 1.51 1.04 0.64 0.00 0.00 175.55 176.32 2dml n GLN 107 N 8.64 2.33 -2.53 4.97 3.00 -1.26 -4.76 117.38 127.78 2dml n GLN 107 Ca 0.23 -3.05 -0.24 0.00 -0.01 0.00 0.00 57.00 53.92 2dml n GLN 107 Cb 0.48 -1.88 0.13 0.00 0.00 0.00 0.00 30.24 28.97 2dml n GLN 107 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2dml s GLY 108 N -2.15 1.76 0.33 1.08 0.00 -1.26 -5.04 107.32 102.04 2dml s GLY 108 Ca 0.46 -1.76 -0.29 0.00 0.00 0.00 0.00 44.72 43.12 2dml s GLY 108 CO 0.04 -1.13 1.33 -0.32 0.00 0.00 0.00 173.10 173.02 2dml s GLY 109 N -4.80 2.94 -0.09 0.20 0.00 -1.26 -4.89 107.32 99.42 2dml s GLY 109 Ca 0.68 1.28 -0.00 0.00 0.00 0.00 0.00 44.72 46.69 2dml s GLY 109 CO 0.46 1.96 1.72 0.54 0.00 0.00 0.00 173.10 177.78 2dml n ARG 110 N 0.92 1.24 -4.88 2.90 5.12 -1.26 -3.66 116.66 117.05 2dml n ARG 110 Ca 0.01 -0.50 -0.28 0.00 -1.93 0.00 0.00 57.85 55.15 2dml n ARG 110 Cb 0.42 -1.20 -0.17 0.00 -1.16 0.00 0.00 32.46 30.35 2dml n ARG 110 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2dml s THR 111 N -0.67 1.55 0.22 0.55 -4.23 -1.26 -4.85 115.64 106.95 2dml s THR 111 Ca 0.10 -0.73 0.05 0.00 -1.18 0.00 0.00 61.69 59.93 2dml s THR 111 Cb 0.08 -1.37 0.27 0.00 1.34 0.00 0.00 72.50 72.82 2dml s THR 111 CO 0.00 0.45 1.06 0.61 -0.54 0.00 0.00 174.62 176.20 2dml n GLY 112 N 3.65 -0.79 0.15 3.99 0.00 -0.31 0.12 105.19 112.00 2dml n GLY 112 Ca -0.21 0.63 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 2dml n GLY 112 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2dml h GLU 113 N 0.00 -0.28 -0.17 1.61 4.11 -1.94 -2.13 114.58 115.78 2dml h GLU 113 Ca 0.46 0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.92 2dml h GLU 113 Cb 1.06 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2dml h GLU 113 CO -0.60 -0.11 0.07 0.00 0.07 0.00 0.00 179.01 178.44 2dml h ALA 114 N 0.37 0.19 -0.67 1.06 0.00 0.73 -2.65 119.26 118.30 2dml h ALA 114 Ca -0.03 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.02 2dml h ALA 114 Cb 0.30 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 2dml h ALA 114 CO 0.05 -0.37 0.19 0.82 0.00 0.00 0.00 179.25 179.95 2dml h ILE 115 N 0.15 0.63 -1.00 0.00 2.04 -0.88 0.38 117.51 118.83 2dml h ILE 115 Ca 0.07 -0.11 0.16 0.00 1.00 0.00 0.00 64.86 65.98 2dml h ILE 115 Cb 0.03 0.28 -0.10 0.00 -0.74 0.00 0.00 36.82 36.29 2dml h ILE 115 CO -0.07 0.06 0.62 0.58 0.00 0.00 0.00 178.15 179.34 2dml h VAL 116 N 0.33 0.79 -0.04 1.67 2.07 -1.02 0.20 116.25 120.25 2dml h VAL 116 Ca 0.36 -0.29 -0.21 0.00 0.82 0.00 0.00 66.70 67.37 2dml h VAL 116 Cb 0.55 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2dml h VAL 116 CO -0.42 0.16 -0.86 -0.78 0.02 0.00 0.00 177.57 175.69 2dml h ASP 117 N 0.86 0.56 -0.21 0.57 1.82 -0.90 -2.96 116.42 116.16 2dml h ASP 117 Ca 0.55 -0.42 -0.03 0.00 -0.39 0.00 0.00 57.03 56.74 2dml h ASP 117 Cb 0.74 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 2dml h ASP 117 CO -0.34 1.20 0.01 0.00 -1.61 0.00 0.00 179.24 178.50 2dml h ALA 118 N 0.78 0.29 -0.50 -0.78 0.00 0.57 -1.24 119.26 118.37 2dml h ALA 118 Ca -0.06 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.67 2dml h ALA 118 Cb 1.48 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 2dml h ALA 118 CO 0.15 -0.01 0.31 0.00 0.00 0.00 0.00 179.25 179.70 2dml h ALA 119 N 0.81 0.64 0.56 0.00 0.00 -0.76 -2.45 119.26 118.06 2dml h ALA 119 Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2dml h ALA 119 Cb 0.37 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2dml h ALA 119 CO 0.01 0.02 -0.27 -0.07 0.00 0.00 0.00 179.25 178.94 2dml h LEU 120 N 0.62 -0.63 -0.93 0.00 3.38 -1.46 0.05 115.31 116.34 2dml h LEU 120 Ca 0.20 -0.03 0.27 0.00 0.09 0.00 0.00 57.88 58.40 2dml h LEU 120 Cb 0.00 0.16 -0.16 0.00 0.09 0.00 0.00 40.66 40.76 2dml h LEU 120 CO -0.08 -0.34 0.23 -1.28 0.09 0.00 0.00 178.44 177.06 2dml h SER 121 N -0.91 -0.06 -0.03 -0.43 0.87 -1.13 0.49 113.55 112.35 2dml h SER 121 Ca -0.08 0.23 -0.21 0.00 -1.23 0.00 0.00 61.79 60.50 2dml h SER 121 Cb 0.63 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2dml h SER 121 CO 0.13 -0.24 -0.74 0.00 -0.53 0.00 0.00 176.83 175.44 2dml h ALA 122 N 1.86 0.42 -0.27 6.23 0.00 -1.31 -2.11 119.26 124.09 2dml h ALA 122 Ca 0.61 -0.59 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2dml h ALA 122 Cb 1.30 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 2dml h ALA 122 CO -0.73 0.71 -0.33 1.25 0.00 0.00 0.00 179.25 180.14 2dml h LEU 123 N 0.47 -1.07 -0.29 0.00 7.12 0.20 -0.99 115.31 120.75 2dml h LEU 123 Ca -0.04 0.17 -0.19 0.00 0.13 0.00 0.00 57.88 57.95 2dml h LEU 123 Cb 1.35 0.48 0.00 0.00 -0.53 0.00 0.00 40.66 41.96 2dml h LEU 123 CO 0.15 -0.34 -0.55 0.08 -0.13 0.00 0.00 178.44 177.64 2dml h ARG 124 N -0.32 0.89 -0.56 1.25 0.11 -1.46 -3.25 114.38 111.03 2dml h ARG 124 Ca 0.13 -0.57 0.11 0.00 0.10 0.00 0.00 59.98 59.76 2dml h ARG 124 Cb 0.54 0.07 -0.11 0.00 1.11 0.00 0.00 29.97 31.58 2dml h ARG 124 CO -0.45 1.20 -0.22 1.03 0.10 0.00 0.00 179.97 181.63 2dml h SER 125 N 0.68 -0.77 -3.92 0.08 0.87 -0.68 -3.42 113.55 106.38 2dml h SER 125 Ca 0.01 0.19 -0.45 0.00 -1.23 0.00 0.00 61.79 60.31 2dml h SER 125 Cb 1.16 0.44 0.16 0.00 -0.44 0.00 0.00 62.40 63.72 2dml h SER 125 CO 0.12 -0.25 0.21 -0.83 -0.53 0.00 0.00 176.83 175.55 2dml s GLY 126 N -3.30 1.56 0.00 5.77 0.00 -0.44 -4.91 107.32 106.01 2dml s GLY 126 Ca -0.14 -0.40 0.14 0.00 0.00 0.00 0.00 44.72 44.32 2dml s GLY 126 CO 0.72 0.21 1.43 -1.55 0.00 0.00 0.00 173.10 173.91 2dml n PRO 127 N -4.13 0.09 -1.05 2.90 -0.04 -1.26 -4.83 135.00 126.68 2dml n PRO 127 Ca 0.05 0.21 -0.34 0.00 -0.04 0.00 0.00 63.50 63.38 2dml n PRO 127 Cb 0.58 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.41 -0.44 -4.03 3.54 7.64 -1.26 -5.01 113.62 112.65 2dml n SER 128 Ca 0.05 0.51 -0.31 0.00 1.01 0.00 0.00 58.87 60.14 2dml n SER 128 Cb 0.15 -1.35 -0.16 0.00 -1.01 0.00 0.00 64.21 61.84 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 -1.93 3.03 0.00 6.43 0.15 -1.26 -4.85 113.70 115.27 2dml s SER 129 Ca 0.67 -0.67 0.28 0.00 0.70 0.00 0.00 55.95 56.93 2dml s SER 129 Cb -0.28 -1.25 1.02 0.00 -1.71 0.00 0.00 66.02 63.79 2dml s SER 129 CO 0.57 -0.08 1.73 0.61 1.20 0.00 0.00 173.24 177.27