#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 3.93 0.11 1.61 0.01 -1.26 -4.94 113.70 113.15 2dml s SER 2 Ca 0.00 0.81 -0.36 0.00 1.31 0.00 0.00 55.95 57.71 2dml s SER 2 Cb 0.00 -1.29 -0.16 0.00 0.21 0.00 0.00 66.02 64.78 2dml s SER 2 CO 0.00 -2.27 1.35 -1.20 0.41 0.00 0.00 173.24 171.53 2dml n SER 3 N -3.56 1.78 0.00 2.44 7.64 -1.26 -4.82 113.62 115.84 2dml n SER 3 Ca 0.08 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.08 2dml n SER 3 Cb 0.60 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 2dml n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dml n GLY 4 N 2.56 -0.64 3.04 0.23 0.00 -1.26 -5.13 105.19 103.98 2dml n GLY 4 Ca 0.18 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 1.25 0.26 -0.00 1.61 1.04 -1.26 -5.15 113.70 111.44 2dml s SER 5 Ca 0.00 0.56 0.07 0.00 0.48 0.00 0.00 55.95 57.05 2dml s SER 5 Cb 0.00 0.94 -0.02 0.00 0.10 0.00 0.00 66.02 67.04 2dml s SER 5 CO 0.00 -0.26 -0.21 -0.44 0.98 0.00 0.00 173.24 173.32 2dml s SER 6 N 2.49 2.43 0.00 7.02 0.01 -1.26 -5.08 113.70 119.31 2dml s SER 6 Ca 0.03 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2dml s SER 6 Cb -0.13 -0.26 0.00 0.00 0.21 0.00 0.00 66.02 65.84 2dml s SER 6 CO -0.12 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.38 2dml n GLY 7 N 2.43 -0.40 3.21 3.44 0.00 -1.26 -5.05 105.19 107.55 2dml n GLY 7 Ca -0.16 -2.23 -0.35 0.00 0.00 0.00 0.00 46.02 43.29 2dml n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dml n ALA 8 N -0.67 -4.30 0.00 4.61 0.00 -1.26 -4.97 120.51 113.92 2dml n ALA 8 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.48 2dml n ALA 8 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.06 2dml n ALA 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dml n VAL 9 N -3.56 0.00 -1.68 0.00 0.31 -1.26 -5.06 118.33 107.08 2dml n VAL 9 Ca 0.01 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.90 2dml n VAL 9 Cb 0.61 -0.16 -0.04 0.00 -0.91 0.00 0.00 33.84 33.34 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 -1.81 3.71 0.00 4.52 7.64 -1.26 -4.96 113.62 121.46 2dml n SER 10 Ca 0.00 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.86 2dml n SER 10 Cb 0.16 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.89 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 4.20 1.45 0.12 0.23 0.00 -1.26 -4.86 105.19 105.07 2dml n GLY 11 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 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 0.46 -9.88 0.99 3.38 -1.96 -3.46 115.31 104.84 2dml h LEU 12 Ca 0.00 -0.58 -0.51 0.00 0.09 0.00 0.00 57.88 56.88 2dml h LEU 12 Cb 0.00 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2dml h LEU 12 CO 0.00 1.47 0.13 -0.31 0.09 0.00 0.00 178.44 179.82 2dml s TYR 13 N -2.62 3.62 -0.18 1.13 1.51 -1.26 -5.07 117.35 114.48 2dml s TYR 13 Ca -0.08 1.41 -0.05 0.00 -1.01 0.00 0.00 57.07 57.34 2dml s TYR 13 Cb 0.07 -2.64 -0.03 0.00 -0.11 0.00 0.00 41.96 39.24 2dml s TYR 13 CO 0.87 0.29 0.01 -1.54 -1.11 0.00 0.00 175.55 174.07 2dml s SER 14 N -1.72 5.09 0.32 2.29 1.04 -1.26 -4.77 113.70 114.69 2dml s SER 14 Ca 0.45 -0.08 0.20 0.00 0.48 0.00 0.00 55.95 57.00 2dml s SER 14 Cb -0.16 -1.86 1.12 0.00 0.10 0.00 0.00 66.02 65.23 2dml s SER 14 CO 0.21 0.14 1.26 -1.20 0.98 0.00 0.00 173.24 174.63 2dml n SER 15 N 3.76 0.24 -0.19 7.02 7.64 -1.26 0.73 113.62 131.55 2dml n SER 15 Ca -0.17 1.25 -0.04 0.00 1.01 0.00 0.00 58.87 60.93 2dml n SER 15 Cb 0.52 -0.61 0.03 0.00 -1.01 0.00 0.00 64.21 63.14 2dml n SER 15 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dml h SER 16 N 0.00 -0.92 -1.83 6.43 0.02 -1.93 -3.42 113.55 111.90 2dml h SER 16 Ca 0.69 0.21 -0.42 0.00 -0.84 0.00 0.00 61.79 61.43 2dml h SER 16 Cb 1.97 0.49 0.22 0.00 0.14 0.00 0.00 62.40 65.23 2dml h SER 16 CO -0.53 -0.27 -1.46 -0.90 -1.14 0.00 0.00 176.83 172.53 2dml n ASP 17 N -5.44 -2.63 -0.27 3.07 5.68 0.23 -4.84 116.55 112.36 2dml n ASP 17 Ca 0.05 -0.13 0.12 0.00 -0.50 0.00 0.00 54.79 54.34 2dml n ASP 17 Cb 0.35 -0.78 0.58 0.00 -1.14 0.00 0.00 41.12 40.13 2dml n ASP 17 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2dml n ASP 18 N 0.02 0.82 -4.70 -1.12 9.92 -1.26 -4.84 116.55 115.39 2dml n ASP 18 Ca 0.00 -1.43 -0.42 0.00 -0.53 0.00 0.00 54.79 52.42 2dml n ASP 18 Cb 0.62 -0.03 -0.03 0.00 -0.64 0.00 0.00 41.12 41.04 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 -1.94 4.83 -0.22 2.53 1.01 -1.26 -4.72 120.40 120.63 2dml s VAL 19 Ca 0.36 1.99 -0.26 0.00 0.00 0.00 0.00 61.98 64.07 2dml s VAL 19 Cb 0.18 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 2dml s VAL 19 CO 0.29 0.07 0.88 -0.63 0.00 0.00 0.00 175.10 175.71 2dml s ILE 20 N 1.62 4.81 -0.66 2.22 1.01 -1.05 -4.83 121.20 124.31 2dml s ILE 20 Ca 0.48 1.69 -0.26 0.00 0.00 0.00 0.00 60.65 62.57 2dml s ILE 20 Cb -0.19 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 2dml s ILE 20 CO 0.21 -0.08 2.05 -0.70 0.00 0.00 0.00 174.94 176.42 2dml s GLU 21 N 2.78 2.39 0.08 2.79 2.12 -1.26 -1.74 118.70 125.87 2dml s GLU 21 Ca 0.38 0.59 -0.26 0.00 0.36 0.00 0.00 54.97 56.04 2dml s GLU 21 Cb -0.15 -4.61 -0.06 0.00 0.26 0.00 0.00 34.13 29.57 2dml s GLU 21 CO 0.08 -3.16 0.81 -0.51 -0.54 0.00 0.00 175.26 171.95 2dml s LEU 22 N 10.54 4.49 0.15 2.70 1.43 -0.90 -4.93 118.68 132.16 2dml s LEU 22 Ca 0.77 1.56 0.02 0.00 -1.03 0.00 0.00 54.13 55.45 2dml s LEU 22 Cb -0.12 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 2dml s LEU 22 CO 0.16 0.03 -0.03 0.42 0.23 0.00 0.00 176.35 177.16 2dml s THR 23 N -0.25 0.76 -1.20 5.49 -4.23 -1.26 -4.42 115.64 110.53 2dml s THR 23 Ca 0.40 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 2dml s THR 23 Cb -0.22 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.65 2dml s THR 23 CO 0.25 -0.62 0.29 -0.81 -0.54 0.00 0.00 174.62 173.20 2dml n PRO 24 N -0.19 0.49 0.00 3.99 -0.04 -1.26 0.43 135.00 138.42 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 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 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 0.10 4.87 0.00 3.54 7.64 -1.26 -4.78 113.62 123.74 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 0.78 0.00 0.00 -1.01 0.00 0.00 64.21 64.08 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 -1.66 2.53 -0.56 6.43 6.94 -0.85 -4.74 115.26 123.34 2dml n ASN 26 Ca 0.00 -0.12 0.43 0.00 -0.02 0.00 0.00 54.58 54.87 2dml n ASN 26 Cb 0.20 0.75 0.66 0.00 -2.36 0.00 0.00 39.78 39.03 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 -1.00 0.00 0.01 -2.53 -0.00 0.17 0.21 117.46 114.32 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 -0.40 -0.14 0.00 -0.00 0.00 0.00 39.48 38.94 2dml n PHE 27 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.76 175.79 2dml h ASN 28 N 0.00 0.40 0.52 -2.13 -0.73 -1.85 -1.68 115.58 110.12 2dml h ASN 28 Ca 0.76 -0.86 0.00 0.00 1.87 0.00 0.00 56.30 58.06 2dml h ASN 28 Cb 3.12 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 41.58 2dml h ASN 28 CO -0.01 1.67 0.00 0.54 -0.37 0.00 0.00 177.43 179.26 2dml n ARG 29 N -3.84 0.39 -0.09 6.67 5.12 0.58 0.24 116.66 125.73 2dml n ARG 29 Ca -0.26 0.02 -0.17 0.00 -1.93 0.00 0.00 57.85 55.51 2dml n ARG 29 Cb 0.93 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 30.67 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 0.38 -0.04 5.56 -0.58 0.30 -4.57 120.64 120.41 2dml n GLU 30 Ca 0.13 0.15 -0.05 0.00 -0.42 0.00 0.00 57.16 56.97 2dml n GLU 30 Cb 0.22 -1.18 -0.02 0.00 -0.57 0.00 0.00 31.44 29.90 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 -3.60 0.81 -0.27 2.62 0.31 -0.65 -4.15 118.33 113.40 2dml n VAL 31 Ca -0.34 0.29 0.29 0.00 -0.01 0.00 0.00 64.34 64.58 2dml n VAL 31 Cb 0.76 -1.91 0.66 0.00 -0.91 0.00 0.00 33.84 32.44 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 0.50 -0.95 2.52 1.08 -1.20 0.69 117.51 119.65 2dml h ILE 32 Ca 0.00 -0.05 -0.50 0.00 -0.39 0.00 0.00 64.86 63.93 2dml h ILE 32 Cb 0.50 0.35 -0.29 0.00 -3.07 0.00 0.00 36.82 34.31 2dml h ILE 32 CO 0.00 0.02 0.63 0.00 -0.69 0.00 0.00 178.15 178.12 2dml n GLN 33 N -4.35 2.20 -3.79 2.37 1.13 0.67 -4.76 117.38 110.85 2dml n GLN 33 Ca 0.23 -2.87 -0.30 0.00 -1.94 0.00 0.00 57.00 52.12 2dml n GLN 33 Cb 1.02 -2.12 -0.14 0.00 0.11 0.00 0.00 30.24 29.11 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 -1.20 3.94 0.62 1.08 0.15 0.24 -4.81 113.70 113.72 2dml s SER 34 Ca 0.54 -2.49 0.25 0.00 0.70 0.00 0.00 55.95 54.96 2dml s SER 34 Cb 0.46 -1.18 1.18 0.00 -1.71 0.00 0.00 66.02 64.78 2dml s SER 34 CO 0.10 -0.30 1.63 -0.78 1.20 0.00 0.00 173.24 175.10 2dml h ASP 35 N 6.99 0.00 -1.61 5.45 1.82 -1.86 -3.40 116.42 123.81 2dml h ASP 35 Ca -0.05 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2dml h ASP 35 Cb 0.94 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.95 2dml h ASP 35 CO 0.52 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.76 2dml n GLY 36 N -1.52 -1.31 3.85 -0.78 0.00 -1.26 -4.98 105.19 99.19 2dml n GLY 36 Ca 0.10 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 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 4.19 -0.02 0.99 2.96 -1.26 -4.68 118.68 120.86 2dml s LEU 37 Ca 0.00 1.15 0.00 0.00 -0.22 0.00 0.00 54.13 55.06 2dml s LEU 37 Cb 0.00 -3.72 0.02 0.00 0.50 0.00 0.00 46.19 42.99 2dml s LEU 37 CO 0.00 -0.07 0.00 0.26 -1.32 0.00 0.00 176.35 175.23 2dml s TRP 38 N -1.76 0.21 -0.41 5.38 0.52 -0.63 -2.32 118.94 119.93 2dml s TRP 38 Ca 0.47 0.03 -0.03 0.00 0.02 0.00 0.00 56.10 56.59 2dml s TRP 38 Cb -0.12 -0.30 0.11 0.00 -1.15 0.00 0.00 33.47 32.00 2dml s TRP 38 CO 0.19 -0.09 0.20 -0.51 0.02 0.00 0.00 176.95 176.76 2dml s LEU 39 N 0.82 5.22 -0.23 2.99 1.43 -0.23 0.23 118.68 128.91 2dml s LEU 39 Ca -0.08 -2.00 -0.10 0.00 -1.03 0.00 0.00 54.13 50.92 2dml s LEU 39 Cb -0.11 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 2dml s LEU 39 CO -0.02 -0.54 0.14 -0.69 0.23 0.00 0.00 176.35 175.47 2dml s VAL 40 N 1.15 5.18 -0.17 -1.59 1.01 -0.55 -1.61 120.40 123.82 2dml s VAL 40 Ca 0.08 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.17 2dml s VAL 40 Cb -0.23 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2dml s VAL 40 CO -0.04 0.36 -0.15 -0.70 0.00 0.00 0.00 175.10 174.58 2dml s GLU 41 N 1.00 3.19 -0.58 2.72 2.12 -1.26 0.20 118.70 126.09 2dml s GLU 41 Ca 0.07 -0.75 -0.21 0.00 0.36 0.00 0.00 54.97 54.44 2dml s GLU 41 Cb -0.13 -2.67 0.07 0.00 0.26 0.00 0.00 34.13 31.65 2dml s GLU 41 CO 0.04 -0.06 0.82 -0.06 -0.54 0.00 0.00 175.26 175.45 2dml s PHE 42 N 1.01 2.86 0.50 5.30 0.40 0.61 -2.28 117.98 126.38 2dml s PHE 42 Ca -0.02 -0.53 0.07 0.00 -0.60 0.00 0.00 56.93 55.85 2dml s PHE 42 Cb -0.15 -3.99 0.02 0.00 0.51 0.00 0.00 43.02 39.41 2dml s PHE 42 CO -0.03 -1.35 0.41 1.52 0.70 0.00 0.00 175.22 176.46 2dml s TYR 43 N 3.38 2.00 -0.08 0.36 -0.85 -1.08 -1.90 117.35 119.18 2dml s TYR 43 Ca 0.20 -0.71 -0.01 0.00 -0.52 0.00 0.00 57.07 56.03 2dml s TYR 43 Cb -0.18 -2.02 0.03 0.00 0.38 0.00 0.00 41.96 40.17 2dml s TYR 43 CO 0.12 -0.38 -0.02 0.00 -1.52 0.00 0.00 175.55 173.75 2dml s ALA 44 N -2.66 0.85 -2.00 9.51 0.00 -1.26 -1.18 121.76 125.02 2dml s ALA 44 Ca 0.41 -0.21 0.10 0.00 0.00 0.00 0.00 51.96 52.25 2dml s ALA 44 Cb -0.02 -0.73 0.59 0.00 0.00 0.00 0.00 23.12 22.96 2dml s ALA 44 CO 0.25 -0.37 1.03 -0.35 0.00 0.00 0.00 175.76 176.31 2dml n PRO 45 N 4.92 0.49 -0.00 0.00 -0.04 -1.26 -2.07 135.00 137.04 2dml n PRO 45 Ca -0.11 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.37 2dml n PRO 45 Cb 0.50 -1.32 -0.03 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.82 0.00 -1.82 0.54 4.27 -1.26 -5.03 117.44 113.33 2dml n TRP 46 Ca 0.07 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.38 2dml n TRP 46 Cb 0.03 -0.08 0.21 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 -3.45 -0.32 0.23 0.00 0.00 -1.26 -4.04 105.19 96.35 2dml n GLY 48 Ca 0.16 -0.09 0.09 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 -0.29 0.00 0.04 1.61 -0.00 -1.96 0.47 115.15 115.03 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 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.68 2dml h HIS 49 CO -0.12 0.00 -1.02 0.00 -0.00 0.00 0.00 177.93 176.79 2dml h GLN 51 N -0.76 0.00 -0.00 0.00 4.20 -1.05 0.43 115.11 117.92 2dml h GLN 51 Ca -0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.46 2dml h GLN 51 Cb 1.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.17 2dml h GLN 51 CO -0.07 0.00 -0.48 2.89 -0.67 0.00 0.00 178.83 180.50 2dml n ARG 52 N -3.48 0.10 -0.08 1.46 1.85 -0.99 -3.66 116.66 111.87 2dml n ARG 52 Ca -0.01 -0.06 0.12 0.00 -1.00 0.00 0.00 57.85 56.90 2dml n ARG 52 Cb 0.25 -1.50 0.35 0.00 -1.05 0.00 0.00 32.46 30.51 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 -1.40 2.09 0.07 2.89 7.94 0.15 -4.26 117.00 124.48 2dml n LEU 53 Ca 0.06 -0.83 -0.13 0.00 -1.11 0.00 0.00 56.01 54.00 2dml n LEU 53 Cb 0.34 -0.10 -0.08 0.00 0.53 0.00 0.00 43.42 44.10 2dml n LEU 53 CO 0.34 0.41 0.70 0.74 -1.11 0.00 0.00 177.39 178.47 2dml h THR 54 N 2.90 1.01 -0.29 1.96 2.02 -1.61 -0.89 112.91 118.01 2dml h THR 54 Ca 0.00 -0.52 -0.15 0.00 0.77 0.00 0.00 66.41 66.51 2dml h THR 54 Cb 0.63 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2dml h THR 54 CO 0.00 0.13 -0.42 1.55 0.37 0.00 0.00 175.52 177.15 2dml h PRO 55 N -0.40 0.70 -0.44 6.66 0.13 -1.85 -1.21 132.00 135.58 2dml h PRO 55 Ca -0.02 -0.37 -0.10 0.00 -0.87 0.00 0.00 66.00 64.64 2dml h PRO 55 Cb 0.33 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 2dml h PRO 55 CO 0.03 0.98 -0.14 0.93 -0.23 0.00 0.00 178.00 179.57 2dml h GLU 56 N 0.57 0.81 -0.03 0.86 4.39 -1.75 -2.32 114.58 117.11 2dml h GLU 56 Ca 0.04 -0.29 -0.17 0.00 0.34 0.00 0.00 59.36 59.28 2dml h GLU 56 Cb 0.96 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.56 2dml h GLU 56 CO 0.09 0.91 -0.66 2.35 -1.16 0.00 0.00 179.01 180.54 2dml h TRP 57 N 0.73 0.73 -0.19 4.33 -0.00 -1.10 -2.01 115.95 118.44 2dml h TRP 57 Ca 0.12 -0.37 0.04 0.00 -0.00 0.00 0.00 58.89 58.67 2dml h TRP 57 Cb 0.64 -0.09 -0.04 0.00 -0.00 0.00 0.00 29.16 29.67 2dml h TRP 57 CO 0.03 1.18 -0.06 0.87 -0.00 0.00 0.00 178.44 180.47 2dml h LYS 58 N 0.07 -0.03 -0.70 2.65 1.57 -1.17 -2.24 116.57 116.72 2dml h LYS 58 Ca -0.07 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.86 2dml h LYS 58 Cb 1.34 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 33.53 2dml h LYS 58 CO 0.13 -0.02 -0.09 0.87 -0.57 0.00 0.00 179.45 179.78 2dml h LYS 59 N -0.03 0.05 -0.67 3.15 1.57 -1.51 0.36 116.57 119.50 2dml h LYS 59 Ca 0.10 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2dml h LYS 59 Cb 0.17 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2dml h LYS 59 CO -0.21 0.03 0.39 0.00 -0.57 0.00 0.00 179.45 179.09 2dml h ALA 60 N 1.68 1.43 -0.42 3.86 0.00 -1.49 -2.13 119.26 122.19 2dml h ALA 60 Ca 0.36 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2dml h ALA 60 Cb 0.59 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2dml h ALA 60 CO -0.67 0.49 -0.10 0.00 0.00 0.00 0.00 179.25 178.96 2dml h ALA 61 N 1.51 1.04 -0.50 0.00 0.00 0.19 0.23 119.26 121.73 2dml h ALA 61 Ca 0.24 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2dml h ALA 61 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2dml h ALA 61 CO -0.04 0.59 0.12 1.15 0.00 0.00 0.00 179.25 181.07 2dml h THR 62 N 0.67 1.24 0.00 0.00 2.02 -0.41 0.52 112.91 116.95 2dml h THR 62 Ca 0.12 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.43 2dml h THR 62 Cb 0.57 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 2dml h THR 62 CO 0.04 0.30 -0.13 0.00 0.37 0.00 0.00 175.52 176.10 2dml h ALA 63 N 0.99 0.01 -0.15 6.16 0.00 -1.32 -3.23 119.26 121.72 2dml h ALA 63 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2dml h ALA 63 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2dml h ALA 63 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 2dml n LEU 64 N -4.59 1.33 -0.01 0.00 4.77 0.81 -4.32 117.00 114.99 2dml n LEU 64 Ca -0.10 -0.67 -0.13 0.00 -0.03 0.00 0.00 56.01 55.09 2dml n LEU 64 Cb 0.46 -0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 2dml n LEU 64 CO 0.37 0.26 0.57 0.50 -1.33 0.00 0.00 177.39 177.76 2dml h LYS 65 N 0.93 -0.48 0.00 3.23 3.64 0.03 1.38 116.57 125.30 2dml h LYS 65 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2dml h LYS 65 Cb 0.46 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2dml h LYS 65 CO 0.04 -0.32 -0.83 -0.44 -2.27 0.00 0.00 179.45 175.63 2dml h ASP 66 N -0.49 0.00 0.00 4.20 5.19 -1.84 -3.39 116.42 120.08 2dml h ASP 66 Ca 0.07 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2dml h ASP 66 Cb 0.63 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.14 2dml h ASP 66 CO -0.42 0.03 -0.06 0.58 -3.12 0.00 0.00 179.24 176.25 2dml h VAL 67 N 0.00 0.00 -3.28 -1.35 2.07 -1.63 -3.46 116.25 108.59 2dml h VAL 67 Ca 0.00 -0.59 -0.56 0.00 0.82 0.00 0.00 66.70 66.37 2dml h VAL 67 Cb 0.93 0.00 -0.37 0.00 -1.52 0.00 0.00 31.29 30.32 2dml h VAL 67 CO 0.00 0.00 -0.80 -0.69 0.02 0.00 0.00 177.57 176.10 2dml s VAL 68 N -1.41 1.20 -0.61 2.57 1.01 0.47 -4.69 120.40 118.95 2dml s VAL 68 Ca -0.02 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.11 2dml s VAL 68 Cb 0.00 -1.30 -0.11 0.00 0.00 0.00 0.00 36.38 34.98 2dml s VAL 68 CO 0.03 0.23 2.45 0.29 0.00 0.00 0.00 175.10 178.09 2dml n LYS 69 N 4.86 0.81 -3.04 2.72 4.76 -0.98 -4.18 118.16 123.11 2dml n LYS 69 Ca -0.13 -0.14 -0.44 0.00 -2.87 0.00 0.00 58.31 54.73 2dml n LYS 69 Cb 0.48 -3.20 -0.05 0.00 -1.84 0.00 0.00 35.03 30.43 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 11.98 4.68 0.00 -0.18 1.01 -1.26 -1.07 120.40 135.57 2dml s VAL 70 Ca 1.03 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2dml s VAL 70 Cb -0.31 -4.52 0.00 0.00 0.00 0.00 0.00 36.38 31.55 2dml s VAL 70 CO 0.27 -1.17 0.00 0.61 0.00 0.00 0.00 175.10 174.81 2dml n GLY 71 N 5.27 1.21 3.50 4.51 0.00 -0.63 -2.54 105.19 116.51 2dml n GLY 71 Ca -0.07 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.74 -2.47 -0.15 4.61 0.00 -0.71 -4.28 121.76 116.02 2dml s ALA 72 Ca 0.00 2.15 0.01 0.00 0.00 0.00 0.00 51.96 54.13 2dml s ALA 72 Cb 0.00 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.21 2dml s ALA 72 CO 0.00 -0.83 -0.19 0.08 0.00 0.00 0.00 175.76 174.82 2dml s VAL 73 N 2.35 2.30 -0.95 0.00 1.01 -0.96 -2.12 120.40 122.02 2dml s VAL 73 Ca -0.05 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.81 2dml s VAL 73 Cb -0.07 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 2dml s VAL 73 CO -0.18 0.53 1.76 0.21 0.00 0.00 0.00 175.10 177.43 2dml s ASN 74 N 0.92 5.66 0.37 3.32 2.47 -1.26 -2.63 114.94 123.79 2dml s ASN 74 Ca -0.04 -0.98 0.19 0.00 0.42 0.00 0.00 52.86 52.45 2dml s ASN 74 Cb -0.15 -2.56 1.20 0.00 -1.45 0.00 0.00 41.25 38.29 2dml s ASN 74 CO -0.03 -2.28 1.66 0.00 -3.72 0.00 0.00 177.10 172.73 2dml h ALA 75 N 10.71 2.20 -0.33 1.71 0.00 -1.43 0.96 119.26 133.08 2dml h ALA 75 Ca 0.14 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2dml h ALA 75 Cb 1.01 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2dml h ALA 75 CO 1.29 -0.81 0.17 0.22 0.00 0.00 0.00 179.25 180.12 2dml h ASP 76 N 0.24 0.42 0.00 0.00 3.58 -1.88 -1.05 116.42 117.74 2dml h ASP 76 Ca 0.75 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 58.10 2dml h ASP 76 Cb 1.93 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.87 2dml h ASP 76 CO -0.54 0.40 -0.04 0.50 -2.88 0.00 0.00 179.24 176.68 2dml h LYS 77 N 0.41 0.00 -1.93 0.28 3.64 -0.47 -3.34 116.57 115.16 2dml h LYS 77 Ca 0.12 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 2dml h LYS 77 Cb 0.08 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2dml h LYS 77 CO -0.02 0.05 0.05 0.72 -2.27 0.00 0.00 179.45 177.98 2dml n HIS 78 N -4.76 0.25 -0.14 1.91 8.25 0.28 -4.54 115.22 116.48 2dml n HIS 78 Ca -0.01 -1.18 0.27 0.00 -0.26 0.00 0.00 57.72 56.54 2dml n HIS 78 Cb 0.04 -0.63 0.58 0.00 1.12 0.00 0.00 29.99 31.10 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 1.19 0.00 -0.49 -0.41 4.20 -1.31 0.78 115.11 119.07 2dml h GLN 79 Ca 0.06 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 2dml h GLN 79 Cb 1.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 2dml h GLN 79 CO 0.13 0.00 -0.05 0.77 -0.67 0.00 0.00 178.83 179.02 2dml h SER 80 N 0.00 0.89 0.22 1.46 0.02 -1.84 -2.60 113.55 111.71 2dml h SER 80 Ca 0.41 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2dml h SER 80 Cb 2.30 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.60 2dml h SER 80 CO -0.00 1.01 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.52 2dml h LEU 81 N 0.76 -0.25 -0.52 5.07 3.38 0.22 -1.62 115.31 122.35 2dml h LEU 81 Ca 0.13 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.16 2dml h LEU 81 Cb 0.58 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 2dml h LEU 81 CO 0.03 -0.14 -0.41 1.23 0.09 0.00 0.00 178.44 179.25 2dml h GLY 82 N -0.36 -1.35 0.33 0.83 0.00 -1.64 0.20 103.07 101.08 2dml h GLY 82 Ca -0.03 0.84 0.18 0.00 0.00 0.00 0.00 47.33 48.33 2dml h GLY 82 CO 0.05 -0.29 0.59 -1.33 0.00 0.00 0.00 176.54 175.57 2dml h GLY 83 N -0.13 1.12 2.00 4.60 0.00 -1.58 0.46 103.07 109.55 2dml h GLY 83 Ca 0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 2dml h GLY 83 CO -0.55 0.01 -0.01 -1.61 0.00 0.00 0.00 176.54 174.38 2dml h GLN 84 N 0.55 0.00 0.00 4.80 4.15 0.41 -2.84 115.11 122.18 2dml h GLN 84 Ca 0.48 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.59 2dml h GLN 84 Cb 1.00 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.63 2dml h GLN 84 CO -0.22 0.01 -2.18 0.66 -1.93 0.00 0.00 178.83 175.16 2dml n TYR 85 N -3.24 0.00 0.00 3.99 4.02 0.12 -5.03 117.16 117.02 2dml n TYR 85 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 2dml n TYR 85 Cb 0.10 -0.81 0.00 0.00 -0.02 0.00 0.00 39.34 38.62 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 2.42 0.43 3.57 2.72 0.00 0.83 -5.09 105.19 110.07 2dml n GLY 86 Ca -0.35 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 2dml n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dml s VAL 87 N -0.80 4.99 -0.04 1.61 1.01 -0.77 -4.87 120.40 121.52 2dml s VAL 87 Ca 0.00 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.54 2dml s VAL 87 Cb 0.00 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2dml s VAL 87 CO 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 175.10 174.91 2dml n GLN 88 N 5.80 2.19 -3.87 2.72 6.02 -1.26 -4.33 117.38 124.65 2dml n GLN 88 Ca -0.03 0.01 -0.19 0.00 -0.01 0.00 0.00 57.00 56.77 2dml n GLN 88 Cb 0.49 -1.08 -0.17 0.00 1.02 0.00 0.00 30.24 30.50 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 -3.78 0.32 0.26 1.08 0.00 -1.26 -5.15 107.32 98.79 2dml s GLY 89 Ca -0.03 0.07 0.06 0.00 0.00 0.00 0.00 44.72 44.81 2dml s GLY 89 CO 0.12 0.85 0.36 -1.36 0.00 0.00 0.00 173.10 173.07 2dml s PHE 90 N 1.44 3.32 0.52 1.90 0.08 -1.26 -4.14 117.98 119.84 2dml s PHE 90 Ca -0.04 -0.08 -0.20 0.00 0.12 0.00 0.00 56.93 56.73 2dml s PHE 90 Cb -0.13 -1.64 -0.06 0.00 -0.57 0.00 0.00 43.02 40.61 2dml s PHE 90 CO -0.03 0.35 1.14 -1.25 -0.10 0.00 0.00 175.22 175.33 2dml s PRO 91 N -4.00 3.47 -0.28 0.24 0.04 -1.26 -4.88 135.00 128.33 2dml s PRO 91 Ca 0.36 1.66 -0.02 0.00 0.04 0.00 0.00 61.00 63.04 2dml s PRO 91 Cb -0.09 -2.12 0.09 0.00 0.04 0.00 0.00 34.50 32.42 2dml s PRO 91 CO 0.29 -0.76 0.08 0.99 0.04 0.00 0.00 177.00 177.64 2dml s THR 92 N -1.71 0.70 0.01 1.26 2.01 -0.80 -4.98 115.64 112.14 2dml s THR 92 Ca 0.70 -1.12 -0.19 0.00 0.31 0.00 0.00 61.69 61.39 2dml s THR 92 Cb -0.25 -1.44 -0.06 0.00 0.01 0.00 0.00 72.50 70.76 2dml s THR 92 CO 0.29 -0.55 0.56 -0.63 -0.69 0.00 0.00 174.62 173.60 2dml s ILE 93 N 1.72 4.88 -0.02 1.82 1.01 -1.26 -0.29 121.20 129.07 2dml s ILE 93 Ca 0.07 1.18 0.04 0.00 0.00 0.00 0.00 60.65 61.94 2dml s ILE 93 Cb -0.17 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 2dml s ILE 93 CO -0.22 0.47 -0.14 -0.54 0.00 0.00 0.00 174.94 174.51 2dml s LYS 94 N -0.53 1.26 -0.14 2.79 -0.14 0.13 -2.66 119.74 120.45 2dml s LYS 94 Ca 0.29 -0.51 -0.06 0.00 -1.36 0.00 0.00 55.97 54.33 2dml s LYS 94 Cb -0.18 -1.19 -0.04 0.00 -1.68 0.00 0.00 37.83 34.74 2dml s LYS 94 CO 0.17 0.28 0.08 0.42 -0.76 0.00 0.00 175.35 175.54 2dml s ILE 95 N -0.22 4.99 -0.10 2.17 1.01 -0.85 -1.48 121.20 126.72 2dml s ILE 95 Ca 0.03 0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.73 2dml s ILE 95 Cb -0.07 -3.19 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 2dml s ILE 95 CO -0.00 0.55 -0.19 -0.36 0.00 0.00 0.00 174.94 174.94 2dml s PHE 96 N -0.45 2.64 0.00 3.97 0.40 0.14 -0.46 117.98 124.22 2dml s PHE 96 Ca 0.10 -0.78 0.00 0.00 -0.60 0.00 0.00 56.93 55.65 2dml s PHE 96 Cb -0.12 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.68 2dml s PHE 96 CO 0.02 -0.27 0.00 0.41 0.70 0.00 0.00 175.22 176.08 2dml n GLY 97 N 3.34 -1.81 0.20 4.36 0.00 -1.26 -1.60 105.19 108.42 2dml n GLY 97 Ca -0.18 0.69 -0.06 0.00 0.00 0.00 0.00 46.02 46.47 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 1.98 -0.50 -3.39 4.61 0.00 -1.92 -3.34 119.26 116.69 2dml h ALA 98 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 2dml h ALA 98 Cb 0.00 0.90 -0.38 0.00 0.00 0.00 0.00 17.79 18.31 2dml h ALA 98 CO 0.00 -0.62 -0.61 1.21 0.00 0.00 0.00 179.25 179.23 2dml s ASN 99 N -3.73 4.95 0.64 0.00 2.47 -1.26 -4.94 114.94 113.06 2dml s ASN 99 Ca -0.06 -2.29 0.31 0.00 0.42 0.00 0.00 52.86 51.24 2dml s ASN 99 Cb 0.04 -1.73 1.66 0.00 -1.45 0.00 0.00 41.25 39.77 2dml s ASN 99 CO 0.27 -0.42 1.97 0.11 -3.72 0.00 0.00 177.10 175.31 2dml h LYS 100 N 7.58 0.00 0.00 0.43 1.79 -1.95 0.40 116.57 124.82 2dml h LYS 100 Ca -0.08 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.21 2dml h LYS 100 Cb 1.01 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.63 2dml h LYS 100 CO 0.63 0.00 -0.89 -0.91 -1.08 0.00 0.00 179.45 177.20 2dml h ASN 101 N 0.00 0.00 -3.03 0.86 2.35 -1.95 -3.42 115.58 110.40 2dml h ASN 101 Ca 0.05 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.22 2dml h ASN 101 Cb 0.70 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.67 2dml h ASN 101 CO -0.00 0.83 -0.78 -0.54 -1.65 0.00 0.00 177.43 175.29 2dml s LYS 102 N -2.79 0.73 1.12 0.81 1.02 0.14 -5.08 119.74 115.69 2dml s LYS 102 Ca 0.02 -1.30 -0.16 0.00 0.02 0.00 0.00 55.97 54.55 2dml s LYS 102 Cb 0.09 -1.75 0.25 0.00 -0.52 0.00 0.00 37.83 35.90 2dml s LYS 102 CO 0.80 -1.10 1.10 -1.25 -0.92 0.00 0.00 175.35 173.98 2dml s PRO 103 N 1.21 -0.55 0.19 -1.68 0.04 -1.21 -4.35 135.00 128.64 2dml s PRO 103 Ca 0.14 0.18 0.04 0.00 0.04 0.00 0.00 61.00 61.39 2dml s PRO 103 Cb -0.21 -1.65 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 2dml s PRO 103 CO -0.13 -3.31 0.31 -1.21 0.04 0.00 0.00 177.00 172.69 2dml s GLU 104 N -5.21 3.41 -0.44 4.56 2.02 0.39 -4.88 118.70 118.56 2dml s GLU 104 Ca 0.69 -0.68 -0.29 0.00 0.02 0.00 0.00 54.97 54.71 2dml s GLU 104 Cb -0.14 -2.92 0.02 0.00 0.10 0.00 0.00 34.13 31.20 2dml s GLU 104 CO 0.57 0.48 1.20 0.16 0.02 0.00 0.00 175.26 177.69 2dml s ASP 105 N -3.53 6.59 -0.40 -0.19 1.47 -1.26 -2.02 116.67 117.34 2dml s ASP 105 Ca 0.34 0.63 -0.27 0.00 1.18 0.00 0.00 52.55 54.44 2dml s ASP 105 Cb -0.10 -2.55 -0.05 0.00 -0.34 0.00 0.00 42.92 39.88 2dml s ASP 105 CO 0.28 -1.26 2.22 -0.47 0.68 0.00 0.00 175.17 176.63 2dml s TYR 106 N 4.61 1.25 -0.43 2.11 5.04 -1.09 -4.82 117.35 124.02 2dml s TYR 106 Ca 0.51 1.04 0.04 0.00 -2.44 0.00 0.00 57.07 56.23 2dml s TYR 106 Cb -0.09 -3.81 0.53 0.00 0.35 0.00 0.00 41.96 38.94 2dml s TYR 106 CO 0.30 -3.06 1.70 1.04 -1.34 0.00 0.00 175.55 174.20 2dml n GLN 107 N 8.89 2.42 0.00 4.97 3.00 -1.26 -4.82 117.38 130.57 2dml n GLN 107 Ca 0.31 -3.31 0.00 0.00 -0.01 0.00 0.00 57.00 53.99 2dml n GLN 107 Cb 0.50 -2.11 0.00 0.00 0.00 0.00 0.00 30.24 28.64 2dml n GLN 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2dml n GLY 108 N -1.02 2.26 3.80 1.08 0.00 -1.26 -5.12 105.19 104.92 2dml n GLY 108 Ca 0.50 -2.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.90 2.05 -0.12 -0.02 0.00 -1.26 -5.00 107.32 102.07 2dml s GLY 109 Ca 0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 44.72 43.73 2dml s GLY 109 CO 0.00 -0.88 3.31 0.54 0.00 0.00 0.00 173.10 176.06 2dml n ARG 110 N 0.66 2.05 -4.47 2.90 3.00 -1.26 -3.78 116.66 115.77 2dml n ARG 110 Ca -0.09 -1.30 -0.25 0.00 -0.01 0.00 0.00 57.85 56.20 2dml n ARG 110 Cb 0.52 -1.98 -0.17 0.00 0.00 0.00 0.00 32.46 30.83 2dml n ARG 110 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2dml s THR 111 N 0.08 1.11 0.58 0.55 -4.23 -1.26 -4.81 115.64 107.65 2dml s THR 111 Ca 0.61 -0.44 0.23 0.00 -1.18 0.00 0.00 61.69 60.91 2dml s THR 111 Cb 0.32 -1.03 0.34 0.00 1.34 0.00 0.00 72.50 73.47 2dml s THR 111 CO -0.06 0.36 1.21 0.61 -0.54 0.00 0.00 174.62 176.20 2dml n GLY 112 N 4.00 -0.70 0.06 3.99 0.00 -0.75 0.07 105.19 111.85 2dml n GLY 112 Ca -0.21 0.32 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 2dml n GLY 112 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dml h GLU 113 N 0.00 0.00 -0.18 1.61 5.08 -1.93 -3.23 114.58 115.93 2dml h GLU 113 Ca 0.43 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.85 2dml h GLU 113 Cb 2.73 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.92 2dml h GLU 113 CO -0.00 0.31 -0.22 0.00 -1.00 0.00 0.00 179.01 178.10 2dml h ALA 114 N -0.71 -0.13 -0.73 3.43 0.00 -0.63 -1.83 119.26 118.66 2dml h ALA 114 Ca -0.01 0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.12 2dml h ALA 114 Cb 0.35 0.44 -0.11 0.00 0.00 0.00 0.00 17.79 18.47 2dml h ALA 114 CO -0.01 -0.66 0.13 0.82 0.00 0.00 0.00 179.25 179.53 2dml h ILE 115 N -0.25 0.47 -0.92 0.00 2.04 -1.37 0.17 117.51 117.66 2dml h ILE 115 Ca 0.12 -0.07 0.13 0.00 1.00 0.00 0.00 64.86 66.03 2dml h ILE 115 Cb 0.42 0.24 -0.09 0.00 -0.74 0.00 0.00 36.82 36.66 2dml h ILE 115 CO -0.33 0.04 0.54 0.58 0.00 0.00 0.00 178.15 178.98 2dml h VAL 116 N 0.21 0.84 -0.07 1.67 2.07 -1.35 0.16 116.25 119.79 2dml h VAL 116 Ca 0.41 -0.28 -0.19 0.00 0.82 0.00 0.00 66.70 67.46 2dml h VAL 116 Cb 0.70 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2dml h VAL 116 CO -0.54 0.15 -0.75 -0.78 0.02 0.00 0.00 177.57 175.66 2dml h ASP 117 N 0.82 0.50 -0.27 0.57 1.82 -0.50 -2.88 116.42 116.48 2dml h ASP 117 Ca 0.47 -0.33 -0.05 0.00 -0.39 0.00 0.00 57.03 56.73 2dml h ASP 117 Cb 0.55 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 2dml h ASP 117 CO -0.30 1.08 -0.00 0.00 -1.61 0.00 0.00 179.24 178.41 2dml h ALA 118 N 0.90 0.37 -0.65 -0.78 0.00 0.52 -1.39 119.26 118.23 2dml h ALA 118 Ca -0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2dml h ALA 118 Cb 1.34 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2dml h ALA 118 CO 0.13 0.12 0.40 0.00 0.00 0.00 0.00 179.25 179.89 2dml h ALA 119 N 0.82 0.83 0.58 0.00 0.00 -0.79 -2.40 119.26 118.30 2dml h ALA 119 Ca 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2dml h ALA 119 Cb 0.43 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2dml h ALA 119 CO 0.01 0.30 -0.28 -0.07 0.00 0.00 0.00 179.25 179.21 2dml h LEU 120 N 0.88 -0.66 -0.87 0.00 3.38 -1.44 0.13 115.31 116.73 2dml h LEU 120 Ca 0.23 -0.03 0.23 0.00 0.09 0.00 0.00 57.88 58.40 2dml h LEU 120 Cb -0.04 0.17 -0.15 0.00 0.09 0.00 0.00 40.66 40.74 2dml h LEU 120 CO -0.04 -0.34 0.17 -1.28 0.09 0.00 0.00 178.44 177.03 2dml h SER 121 N -0.99 -0.12 -0.15 -0.43 0.87 -1.20 0.12 113.55 111.64 2dml h SER 121 Ca -0.08 0.21 -0.11 0.00 -1.23 0.00 0.00 61.79 60.58 2dml h SER 121 Cb 0.66 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 2dml h SER 121 CO 0.13 -0.19 -0.34 0.00 -0.53 0.00 0.00 176.83 175.90 2dml h ALA 122 N 1.80 0.24 -0.10 6.23 0.00 -1.35 -2.39 119.26 123.69 2dml h ALA 122 Ca 0.54 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2dml h ALA 122 Cb 1.08 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 2dml h ALA 122 CO -0.70 0.29 -0.43 1.25 0.00 0.00 0.00 179.25 179.67 2dml h LEU 123 N 0.11 -1.33 -1.69 0.00 7.12 0.18 1.07 115.31 120.77 2dml h LEU 123 Ca 0.00 0.17 -0.04 0.00 0.13 0.00 0.00 57.88 58.14 2dml h LEU 123 Cb 0.94 0.53 -0.01 0.00 -0.53 0.00 0.00 40.66 41.60 2dml h LEU 123 CO 0.07 -0.44 -0.17 0.08 -0.13 0.00 0.00 178.44 177.85 2dml h ARG 124 N -0.52 0.00 -1.16 1.25 0.11 -1.23 -2.78 114.38 110.06 2dml h ARG 124 Ca 0.07 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.54 2dml h ARG 124 Cb 0.64 0.00 -0.38 0.00 1.11 0.00 0.00 29.97 31.33 2dml h ARG 124 CO -0.38 0.17 -0.26 0.45 0.10 0.00 0.00 179.97 180.05 2dml n SER 125 N -4.20 5.68 0.00 0.08 2.88 -0.11 -4.75 113.62 113.20 2dml n SER 125 Ca -0.02 -3.76 0.00 0.00 -1.33 0.00 0.00 58.87 53.76 2dml n SER 125 Cb 0.24 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 2dml n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dml n GLY 126 N -0.66 0.38 0.24 0.46 0.00 0.35 -4.80 105.19 101.16 2dml n GLY 126 Ca 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.40 2dml n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dml h PRO 127 N 0.00 0.67 -4.94 1.61 0.13 -1.85 -3.41 132.00 124.23 2dml h PRO 127 Ca 0.00 -0.35 -0.27 0.00 -0.87 0.00 0.00 66.00 64.51 2dml h PRO 127 Cb 0.00 0.01 0.13 0.00 0.13 0.00 0.00 31.00 31.28 2dml h PRO 127 CO 0.00 0.96 -0.61 0.45 -0.23 0.00 0.00 178.00 178.57 2dml n SER 128 N -4.03 -2.38 -4.69 1.44 2.88 -1.26 -4.91 113.62 100.67 2dml n SER 128 Ca -0.02 -0.49 -0.42 0.00 -1.33 0.00 0.00 58.87 56.61 2dml n SER 128 Cb 0.53 -4.22 -0.03 0.00 -0.75 0.00 0.00 64.21 59.74 2dml n SER 128 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dml s SER 129 N -4.01 6.45 0.00 -3.46 0.01 -1.26 -5.20 113.70 106.22 2dml s SER 129 Ca 0.05 2.72 0.00 0.00 1.31 0.00 0.00 55.95 60.03 2dml s SER 129 Cb -0.02 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2dml s SER 129 CO 0.59 -0.99 0.03 0.61 0.41 0.00 0.00 173.24 173.89