#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dcy s SER 2 N 0.00 6.85 0.25 0.00 0.01 -1.26 -4.42 113.70 115.13 2dcy s SER 2 Ca 0.00 2.48 -0.13 0.00 1.31 0.00 0.00 55.95 59.61 2dcy s SER 2 Cb 0.00 -2.63 -0.08 0.00 0.21 0.00 0.00 66.02 63.52 2dcy s SER 2 CO 0.00 -0.46 0.63 0.42 0.41 0.00 0.00 173.24 174.24 2dcy s THR 3 N -1.21 4.80 0.00 1.44 -4.23 -1.26 -4.99 115.64 110.19 2dcy s THR 3 Ca 0.50 0.76 0.00 0.00 -1.18 0.00 0.00 61.69 61.76 2dcy s THR 3 Cb -0.35 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 69.84 2dcy s THR 3 CO 0.46 -0.05 0.55 -0.90 -0.54 0.00 0.00 174.62 174.14 2dcy n ASP 4 N -0.04 0.80 -4.19 3.99 5.68 0.05 -4.97 116.55 117.88 2dcy n ASP 4 Ca 0.01 -1.30 -0.30 0.00 -0.50 0.00 0.00 54.79 52.69 2dcy n ASP 4 Cb 0.52 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.34 2dcy n ASP 4 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2dcy s TYR 5 N -0.30 2.24 -0.27 2.11 5.04 -0.20 -4.71 117.35 121.25 2dcy s TYR 5 Ca 0.00 -0.82 -0.06 0.00 -2.44 0.00 0.00 57.07 53.75 2dcy s TYR 5 Cb 0.00 -1.51 -0.01 0.00 0.35 0.00 0.00 41.96 40.80 2dcy s TYR 5 CO 0.00 -0.32 0.05 -0.46 -1.34 0.00 0.00 175.55 173.48 2dcy s TRP 6 N 0.25 3.09 -0.24 4.97 -0.00 -1.26 -2.02 118.94 123.73 2dcy s TRP 6 Ca -0.13 -0.81 -0.09 0.00 -0.00 0.00 0.00 56.10 55.07 2dcy s TRP 6 Cb -0.16 -2.22 -0.04 0.00 -0.00 0.00 0.00 33.47 31.06 2dcy s TRP 6 CO 0.06 -0.51 0.11 -1.14 -0.00 0.00 0.00 176.95 175.47 2dcy s GLN 7 N 1.53 3.84 -0.36 5.86 2.00 0.48 -4.97 119.66 128.04 2dcy s GLN 7 Ca 0.04 -0.39 0.04 0.00 -2.00 0.00 0.00 55.36 53.05 2dcy s GLN 7 Cb -0.16 -3.40 0.16 0.00 0.80 0.00 0.00 33.01 30.41 2dcy s GLN 7 CO 0.02 -0.05 0.44 1.21 -0.50 0.00 0.00 175.29 176.40 2dcy s ASN 8 N 1.30 0.39 -0.02 6.67 3.04 -1.25 -0.63 114.94 124.45 2dcy s ASN 8 Ca 0.06 -1.07 0.04 0.00 0.04 0.00 0.00 52.86 51.92 2dcy s ASN 8 Cb -0.15 1.00 -0.01 0.00 -1.54 0.00 0.00 41.25 40.56 2dcy s ASN 8 CO 0.05 -0.27 -0.12 0.86 -3.04 0.00 0.00 177.10 174.58 2dcy s TRP 9 N 1.84 1.15 0.01 0.43 -0.00 -0.31 -5.02 118.94 117.04 2dcy s TRP 9 Ca 0.15 -0.25 0.01 0.00 -0.00 0.00 0.00 56.10 56.00 2dcy s TRP 9 Cb -0.12 -0.76 -0.01 0.00 -0.00 0.00 0.00 33.47 32.58 2dcy s TRP 9 CO -0.12 -0.06 -0.04 -0.08 -0.00 0.00 0.00 176.95 176.65 2dcy s THR 10 N -0.12 0.27 -1.47 5.86 -1.32 -1.26 -0.63 115.64 116.97 2dcy s THR 10 Ca 0.02 -0.45 0.22 0.00 -1.21 0.00 0.00 61.69 60.27 2dcy s THR 10 Cb -0.07 -0.29 0.41 0.00 -1.51 0.00 0.00 72.50 71.04 2dcy s THR 10 CO 0.00 -0.12 1.73 -0.90 -2.21 0.00 0.00 174.62 173.11 2dcy n ASP 11 N 2.45 0.00 0.00 8.08 5.68 -0.42 -4.89 116.55 127.45 2dcy n ASP 11 Ca -0.17 -0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.05 2dcy n ASP 11 Cb 0.57 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 2dcy n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dcy n GLY 12 N 0.60 0.35 3.72 6.12 0.00 -1.26 -5.02 105.19 109.70 2dcy n GLY 12 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2dcy n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dcy s GLY 13 N -1.83 2.72 0.00 -0.02 0.00 -1.26 -4.87 107.32 102.06 2dcy s GLY 13 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.43 2dcy s GLY 13 CO 0.00 1.79 0.00 0.61 0.00 0.00 0.00 173.10 175.50 2dcy n GLY 14 N 2.80 -0.00 3.35 0.20 0.00 -1.24 -2.08 105.19 108.23 2dcy n GLY 14 Ca 0.06 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 2dcy n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dcy s ILE 15 N 0.00 3.09 -0.24 -0.61 1.01 -0.59 -4.93 121.20 118.92 2dcy s ILE 15 Ca 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.03 2dcy s ILE 15 Cb 0.00 -2.32 0.06 0.00 0.01 0.00 0.00 42.46 40.21 2dcy s ILE 15 CO 0.00 0.51 -0.09 -0.69 0.00 0.00 0.00 174.94 174.67 2dcy s VAL 16 N 0.59 1.83 -0.56 2.92 1.01 -1.26 -0.75 120.40 124.17 2dcy s VAL 16 Ca -0.07 -1.35 -0.11 0.00 0.00 0.00 0.00 61.98 60.44 2dcy s VAL 16 Cb -0.15 -1.99 0.14 0.00 0.00 0.00 0.00 36.38 34.38 2dcy s VAL 16 CO 0.03 -0.01 0.46 0.20 0.00 0.00 0.00 175.10 175.79 2dcy s ASN 17 N 1.27 5.97 -0.21 3.32 0.01 0.61 -4.99 114.94 120.92 2dcy s ASN 17 Ca -0.06 -2.08 -0.08 0.00 -0.71 0.00 0.00 52.86 49.94 2dcy s ASN 17 Cb -0.19 -2.09 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 2dcy s ASN 17 CO -0.06 -0.70 0.07 0.00 -1.51 0.00 0.00 177.10 174.90 2dcy s ALA 18 N 1.13 3.35 -0.21 0.60 0.00 -1.26 -1.00 121.76 124.37 2dcy s ALA 18 Ca 0.08 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 2dcy s ALA 18 Cb -0.24 -2.00 0.01 0.00 0.00 0.00 0.00 23.12 20.89 2dcy s ALA 18 CO -0.01 -0.04 -0.13 0.08 0.00 0.00 0.00 175.76 175.66 2dcy s VAL 19 N 0.78 2.60 -0.82 0.00 1.01 -0.33 -5.01 120.40 118.63 2dcy s VAL 19 Ca 0.04 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.92 2dcy s VAL 19 Cb -0.13 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.09 2dcy s VAL 19 CO 0.02 0.42 1.43 0.21 0.00 0.00 0.00 175.10 177.18 2dcy s ASN 20 N 1.35 6.12 0.52 3.32 3.04 -1.26 -2.08 114.94 125.94 2dcy s ASN 20 Ca 0.04 -0.69 0.00 0.00 0.04 0.00 0.00 52.86 52.25 2dcy s ASN 20 Cb -0.14 -2.56 0.00 0.00 -1.54 0.00 0.00 41.25 37.01 2dcy s ASN 20 CO -0.08 -1.84 0.00 0.61 -3.04 0.00 0.00 177.10 172.74 2dcy n GLY 21 N 5.96 -0.77 3.78 1.21 0.00 -0.39 -5.02 105.19 109.96 2dcy n GLY 21 Ca 0.16 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.13 2dcy n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dcy s SER 22 N -1.00 6.84 1.97 1.61 0.15 -1.26 -4.63 113.70 117.39 2dcy s SER 22 Ca 0.00 2.04 0.00 0.00 0.70 0.00 0.00 55.95 58.69 2dcy s SER 22 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2dcy s SER 22 CO 0.00 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.62 2dcy n GLY 23 N 0.41 4.17 1.50 9.45 0.00 -1.26 -1.18 105.19 118.29 2dcy n GLY 23 Ca 0.04 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.25 2dcy n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dcy n GLY 24 N 0.00 2.69 3.82 -0.02 0.00 -1.26 -4.80 105.19 105.62 2dcy n GLY 24 Ca 0.00 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 2dcy n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dcy s ASN 25 N -0.95 6.89 0.15 1.61 3.84 -0.32 -0.45 114.94 125.70 2dcy s ASN 25 Ca 0.50 1.05 -0.10 0.00 0.21 0.00 0.00 52.86 54.52 2dcy s ASN 25 Cb 0.30 -2.29 0.00 0.00 -0.55 0.00 0.00 41.25 38.71 2dcy s ASN 25 CO 0.27 0.27 0.30 -0.72 -2.79 0.00 0.00 177.10 174.44 2dcy s TYR 26 N -0.91 0.23 0.08 0.43 -0.85 0.11 -1.26 117.35 115.17 2dcy s TYR 26 Ca 0.26 -0.60 0.03 0.00 -0.52 0.00 0.00 57.07 56.24 2dcy s TYR 26 Cb -0.18 0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.15 2dcy s TYR 26 CO 0.15 -0.70 -0.10 -1.54 -1.52 0.00 0.00 175.55 171.84 2dcy s SER 27 N -2.92 1.29 -0.02 -0.18 1.04 -0.88 -0.90 113.70 111.14 2dcy s SER 27 Ca 0.12 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2dcy s SER 27 Cb 0.03 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.19 2dcy s SER 27 CO -0.04 -0.23 0.02 -0.69 0.98 0.00 0.00 173.24 173.28 2dcy s VAL 28 N -2.03 -0.01 -0.13 5.02 1.01 0.30 -1.18 120.40 123.38 2dcy s VAL 28 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.14 2dcy s VAL 28 Cb -0.05 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.25 2dcy s VAL 28 CO 0.00 0.08 -0.14 0.20 0.00 0.00 0.00 175.10 175.24 2dcy s ASN 29 N 0.82 2.50 0.09 3.32 0.01 -0.17 -0.81 114.94 120.70 2dcy s ASN 29 Ca -0.07 -0.43 0.05 0.00 -0.71 0.00 0.00 52.86 51.70 2dcy s ASN 29 Cb -0.10 -1.09 -0.03 0.00 0.41 0.00 0.00 41.25 40.44 2dcy s ASN 29 CO -0.02 -0.04 -0.13 -1.66 -1.51 0.00 0.00 177.10 173.74 2dcy s TRP 30 N 1.31 1.21 -0.04 2.20 -2.14 -0.24 -0.28 118.94 120.96 2dcy s TRP 30 Ca 0.00 -0.51 -0.02 0.00 2.66 0.00 0.00 56.10 58.23 2dcy s TRP 30 Cb -0.14 -0.67 0.03 0.00 -3.10 0.00 0.00 33.47 29.60 2dcy s TRP 30 CO -0.07 0.06 0.07 0.45 -2.66 0.00 0.00 176.95 174.80 2dcy s SER 31 N -2.00 0.80 -1.27 -2.66 0.15 0.07 -1.16 113.70 107.62 2dcy s SER 31 Ca 0.01 0.11 -0.19 0.00 0.70 0.00 0.00 55.95 56.59 2dcy s SER 31 Cb -0.08 -0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.18 2dcy s SER 31 CO 0.02 -0.22 0.57 -3.20 1.20 0.00 0.00 173.24 171.62 2dcy n ASN 32 N 5.01 -3.06 -4.94 5.45 4.05 -0.68 -1.55 115.26 119.54 2dcy n ASN 32 Ca -0.10 -1.15 -0.25 0.00 0.45 0.00 0.00 54.58 53.54 2dcy n ASN 32 Cb 0.50 -2.49 0.03 0.00 1.23 0.00 0.00 39.78 39.04 2dcy n ASN 32 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 2dcy s THR 33 N -3.71 3.58 0.00 -0.44 -4.23 0.16 -3.60 115.64 107.40 2dcy s THR 33 Ca 0.32 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 2dcy s THR 33 Cb -0.15 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.31 2dcy s THR 33 CO 0.92 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 175.28 2dcy n GLY 34 N -2.40 0.14 3.85 3.99 0.00 -0.88 -1.28 105.19 108.61 2dcy n GLY 34 Ca 0.04 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 2dcy n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dcy s ASN 35 N -1.16 6.62 0.05 1.61 3.04 -1.26 -2.78 114.94 121.05 2dcy s ASN 35 Ca 0.00 0.73 -0.16 0.00 0.04 0.00 0.00 52.86 53.48 2dcy s ASN 35 Cb 0.00 -2.17 0.03 0.00 -1.54 0.00 0.00 41.25 37.56 2dcy s ASN 35 CO 0.00 0.34 0.35 0.72 -3.04 0.00 0.00 177.10 175.47 2dcy s PHE 36 N -0.95 -0.17 -0.04 0.43 -0.71 -0.92 -1.30 117.98 114.32 2dcy s PHE 36 Ca 0.20 0.07 -0.02 0.00 -1.04 0.00 0.00 56.93 56.14 2dcy s PHE 36 Cb -0.15 0.15 0.03 0.00 -1.21 0.00 0.00 43.02 41.84 2dcy s PHE 36 CO 0.09 -0.54 0.06 0.08 -1.34 0.00 0.00 175.22 173.57 2dcy s VAL 37 N -2.55 -0.09 -0.03 -2.49 1.01 0.20 -1.54 120.40 114.89 2dcy s VAL 37 Ca -0.05 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.39 2dcy s VAL 37 Cb -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 36.38 36.21 2dcy s VAL 37 CO -0.03 0.18 -0.15 -0.69 0.00 0.00 0.00 175.10 174.41 2dcy s VAL 38 N 2.15 1.25 -0.07 2.92 1.01 -0.00 -1.16 120.40 126.50 2dcy s VAL 38 Ca 0.05 -0.63 -0.32 0.00 0.00 0.00 0.00 61.98 61.08 2dcy s VAL 38 Cb -0.12 -1.07 0.12 0.00 0.00 0.00 0.00 36.38 35.31 2dcy s VAL 38 CO -0.03 0.36 1.24 -0.83 0.00 0.00 0.00 175.10 175.85 2dcy s GLY 39 N -0.02 -0.37 0.08 4.51 0.00 0.20 -0.36 107.32 111.37 2dcy s GLY 39 Ca -0.01 1.00 0.09 0.00 0.00 0.00 0.00 44.72 45.79 2dcy s GLY 39 CO 0.01 0.27 -0.23 0.54 0.00 0.00 0.00 173.10 173.69 2dcy s LYS 40 N -2.46 1.41 0.00 2.90 1.02 -1.17 -0.39 119.74 121.05 2dcy s LYS 40 Ca 0.12 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 55.00 2dcy s LYS 40 Cb 0.02 -1.65 0.00 0.00 -0.52 0.00 0.00 37.83 35.68 2dcy s LYS 40 CO -0.04 0.41 0.00 0.41 -0.92 0.00 0.00 175.35 175.21 2dcy n GLY 41 N 1.45 -0.49 3.05 -3.33 0.00 -0.86 -1.18 105.19 103.83 2dcy n GLY 41 Ca -0.18 0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 2dcy n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dcy s TRP 42 N 0.00 0.95 0.16 1.61 0.51 0.25 -0.77 118.94 121.65 2dcy s TRP 42 Ca 0.00 -0.18 -0.12 0.00 -2.12 0.00 0.00 56.10 53.67 2dcy s TRP 42 Cb 0.00 -0.61 0.04 0.00 -0.81 0.00 0.00 33.47 32.08 2dcy s TRP 42 CO 0.00 -0.02 1.65 1.15 -0.51 0.00 0.00 176.95 179.22 2dcy h THR 43 N 4.88 1.25 -3.65 2.01 2.02 -1.86 -1.14 112.91 116.41 2dcy h THR 43 Ca -0.32 -0.91 -0.70 0.00 0.77 0.00 0.00 66.41 65.25 2dcy h THR 43 Cb 1.17 0.83 -0.28 0.00 -1.74 0.00 0.00 68.15 68.14 2dcy h THR 43 CO 0.49 0.33 -0.59 -0.89 0.37 0.00 0.00 175.52 175.24 2dcy s THR 44 N -5.24 3.97 0.82 3.16 2.01 -1.26 -3.05 115.64 116.05 2dcy s THR 44 Ca -0.13 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 60.69 2dcy s THR 44 Cb 0.12 -3.24 0.08 0.00 0.01 0.00 0.00 72.50 69.48 2dcy s THR 44 CO 0.81 -0.19 1.10 -0.83 -0.69 0.00 0.00 174.62 174.82 2dcy s GLY 45 N 1.44 1.61 -0.10 4.40 0.00 0.27 -4.88 107.32 110.07 2dcy s GLY 45 Ca -0.01 -0.26 -0.19 0.00 0.00 0.00 0.00 44.72 44.26 2dcy s GLY 45 CO 0.04 0.19 0.47 -0.45 0.00 0.00 0.00 173.10 173.35 2dcy s SER 46 N -3.91 -0.43 0.00 1.64 0.15 -1.26 -4.81 113.70 105.07 2dcy s SER 46 Ca 0.61 0.62 0.18 0.00 0.70 0.00 0.00 55.95 58.07 2dcy s SER 46 Cb -0.15 0.66 0.95 0.00 -1.71 0.00 0.00 66.02 65.78 2dcy s SER 46 CO 0.54 -0.36 1.54 -0.81 1.20 0.00 0.00 173.24 175.35 2dcy n PRO 47 N 1.87 0.32 0.00 5.44 -0.04 -1.26 -2.77 135.00 138.56 2dcy n PRO 47 Ca -0.17 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.49 2dcy n PRO 47 Cb 0.56 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.55 2dcy n PRO 47 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2dcy n PHE 48 N -1.23 0.00 -2.36 0.54 3.72 -1.26 -3.08 117.46 113.79 2dcy n PHE 48 Ca 0.10 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.09 2dcy n PHE 48 Cb 0.13 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 2dcy n PHE 48 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2dcy s ARG 49 N -2.23 4.51 -0.23 -1.08 6.06 -1.11 -4.79 118.95 120.08 2dcy s ARG 49 Ca 0.21 1.91 -0.12 0.00 -2.50 0.00 0.00 55.73 55.22 2dcy s ARG 49 Cb 0.18 -3.21 -0.05 0.00 0.06 0.00 0.00 34.95 31.94 2dcy s ARG 49 CO 0.46 -0.03 0.23 0.99 -2.50 0.00 0.00 175.30 174.44 2dcy s THR 50 N -0.44 5.32 -0.18 4.11 2.01 -1.26 -2.90 115.64 122.29 2dcy s THR 50 Ca 0.51 0.34 -0.05 0.00 0.31 0.00 0.00 61.69 62.80 2dcy s THR 50 Cb -0.33 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 2dcy s THR 50 CO 0.40 0.32 -0.01 -0.63 -0.69 0.00 0.00 174.62 174.01 2dcy s ILE 51 N 1.09 3.98 -0.01 1.82 1.09 -0.29 -4.99 121.20 123.90 2dcy s ILE 51 Ca 0.11 -0.31 0.02 0.00 -1.10 0.00 0.00 60.65 59.37 2dcy s ILE 51 Cb -0.14 -2.78 -0.03 0.00 -1.06 0.00 0.00 42.46 38.45 2dcy s ILE 51 CO 0.05 0.46 -0.04 0.20 -0.10 0.00 0.00 174.94 175.51 2dcy s ASN 52 N 0.69 4.82 0.17 3.58 -0.87 0.05 -0.02 114.94 123.35 2dcy s ASN 52 Ca -0.01 -0.08 -0.17 0.00 -1.57 0.00 0.00 52.86 51.03 2dcy s ASN 52 Cb -0.14 -1.19 0.03 0.00 -0.02 0.00 0.00 41.25 39.93 2dcy s ASN 52 CO 0.02 0.29 0.47 -0.72 -2.57 0.00 0.00 177.10 174.59 2dcy s TYR 53 N -1.01 -0.16 -0.09 2.20 1.13 0.25 -1.00 117.35 118.67 2dcy s TYR 53 Ca 0.17 -0.17 -0.03 0.00 -1.41 0.00 0.00 57.07 55.64 2dcy s TYR 53 Cb -0.11 0.33 0.04 0.00 -1.10 0.00 0.00 41.96 41.12 2dcy s TYR 53 CO 0.08 -0.82 0.07 1.21 -2.51 0.00 0.00 175.55 173.57 2dcy s ASN 54 N -2.84 1.64 -0.77 -0.18 3.84 0.19 -0.43 114.94 116.38 2dcy s ASN 54 Ca 0.07 -0.20 -0.16 0.00 0.21 0.00 0.00 52.86 52.77 2dcy s ASN 54 Cb 0.00 -0.20 0.16 0.00 -0.55 0.00 0.00 41.25 40.66 2dcy s ASN 54 CO -0.07 -0.28 0.81 0.00 -2.79 0.00 0.00 177.10 174.77 2dcy s ALA 55 N 2.14 3.73 0.35 1.71 0.00 -1.26 -0.44 121.76 127.98 2dcy s ALA 55 Ca 0.04 -2.88 0.16 0.00 0.00 0.00 0.00 51.96 49.28 2dcy s ALA 55 Cb -0.14 -3.62 0.82 0.00 0.00 0.00 0.00 23.12 20.19 2dcy s ALA 55 CO -0.05 -2.43 1.85 0.78 0.00 0.00 0.00 175.76 175.90 2dcy h GLY 56 N 8.98 0.00 -6.43 0.00 0.00 -1.32 -2.10 103.07 102.20 2dcy h GLY 56 Ca -0.01 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.86 2dcy h GLY 56 CO 0.94 0.00 -0.79 0.14 0.00 0.00 0.00 176.54 176.83 2dcy s VAL 57 N -4.09 0.73 -0.32 4.60 1.01 -0.97 -4.82 120.40 116.54 2dcy s VAL 57 Ca -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 2dcy s VAL 57 Cb 0.14 -0.76 0.10 0.00 0.00 0.00 0.00 36.38 35.86 2dcy s VAL 57 CO 0.70 0.29 0.12 0.86 0.00 0.00 0.00 175.10 177.07 2dcy s TRP 58 N 1.29 1.40 -0.37 5.22 -0.11 -1.26 -0.64 118.94 124.46 2dcy s TRP 58 Ca -0.04 -1.61 0.12 0.00 1.22 0.00 0.00 56.10 55.79 2dcy s TRP 58 Cb -0.14 -1.52 0.36 0.00 -1.50 0.00 0.00 33.47 30.66 2dcy s TRP 58 CO -0.02 -0.86 0.74 0.00 -4.62 0.00 0.00 176.95 172.19 2dcy n ALA 59 N 4.79 2.10 -1.77 5.86 0.00 0.12 -5.02 120.51 126.61 2dcy n ALA 59 Ca -0.01 -3.40 -0.40 0.00 0.00 0.00 0.00 53.44 49.63 2dcy n ALA 59 Cb 0.41 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 2dcy n ALA 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dcy s PRO 60 N -2.48 4.11 -0.64 0.00 0.04 -1.26 -1.62 135.00 133.15 2dcy s PRO 60 Ca 0.39 2.12 0.02 0.00 0.04 0.00 0.00 61.00 63.58 2dcy s PRO 60 Cb 0.35 -2.85 0.16 0.00 0.04 0.00 0.00 34.50 32.21 2dcy s PRO 60 CO -0.08 -0.36 0.42 1.21 0.04 0.00 0.00 177.00 178.23 2dcy s ASN 61 N -0.72 4.83 0.00 6.66 3.04 0.22 -4.90 114.94 124.07 2dcy s ASN 61 Ca 0.54 -3.32 0.00 0.00 0.04 0.00 0.00 52.86 50.12 2dcy s ASN 61 Cb -0.37 -1.71 0.00 0.00 -1.54 0.00 0.00 41.25 37.63 2dcy s ASN 61 CO 0.48 -0.21 0.00 0.61 -3.04 0.00 0.00 177.10 174.95 2dcy n GLY 62 N 2.74 0.14 3.60 1.21 0.00 -1.26 -1.95 105.19 109.67 2dcy n GLY 62 Ca 0.12 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 2dcy n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dcy s ASN 63 N -4.00 6.30 0.00 1.61 2.47 -1.25 -1.27 114.94 118.80 2dcy s ASN 63 Ca 0.00 0.79 -0.03 0.00 0.42 0.00 0.00 52.86 54.03 2dcy s ASN 63 Cb 0.00 -2.54 -0.01 0.00 -1.45 0.00 0.00 41.25 37.25 2dcy s ASN 63 CO 0.00 -1.47 0.05 -0.83 -3.72 0.00 0.00 177.10 171.13 2dcy s GLY 64 N 4.05 0.11 -0.06 1.21 0.00 -1.26 -1.49 107.32 109.87 2dcy s GLY 64 Ca 0.61 -0.27 0.06 0.00 0.00 0.00 0.00 44.72 45.11 2dcy s GLY 64 CO 0.32 -0.36 -0.23 -0.19 0.00 0.00 0.00 173.10 172.64 2dcy s TYR 65 N -1.16 2.48 -0.39 1.90 2.02 0.14 -1.37 117.35 120.96 2dcy s TYR 65 Ca -0.13 -0.65 -0.11 0.00 -0.37 0.00 0.00 57.07 55.81 2dcy s TYR 65 Cb -0.07 -1.61 0.04 0.00 -0.40 0.00 0.00 41.96 39.91 2dcy s TYR 65 CO 0.00 -0.17 0.24 -1.17 -1.57 0.00 0.00 175.55 172.88 2dcy s LEU 66 N -0.21 4.89 -0.13 -1.29 2.96 -0.13 -1.44 118.68 123.34 2dcy s LEU 66 Ca -0.02 -1.09 -0.21 0.00 -0.22 0.00 0.00 54.13 52.60 2dcy s LEU 66 Cb -0.13 -2.04 0.05 0.00 0.50 0.00 0.00 46.19 44.56 2dcy s LEU 66 CO 0.03 -0.43 0.52 0.28 -1.32 0.00 0.00 176.35 175.43 2dcy s THR 67 N 1.55 0.01 0.39 3.68 -1.32 -0.19 -0.86 115.64 118.91 2dcy s THR 67 Ca 0.02 -0.10 -0.26 0.00 -1.21 0.00 0.00 61.69 60.14 2dcy s THR 67 Cb -0.20 -0.78 -0.09 0.00 -1.51 0.00 0.00 72.50 69.92 2dcy s THR 67 CO 0.06 -0.06 1.29 -0.22 -2.21 0.00 0.00 174.62 173.49 2dcy s LEU 68 N -0.39 4.25 -0.12 9.08 2.96 0.06 0.02 118.68 134.56 2dcy s LEU 68 Ca -0.05 2.63 -0.08 0.00 -0.22 0.00 0.00 54.13 56.41 2dcy s LEU 68 Cb -0.03 -3.87 0.04 0.00 0.50 0.00 0.00 46.19 42.83 2dcy s LEU 68 CO 0.04 -0.77 0.29 -0.47 -1.32 0.00 0.00 176.35 174.11 2dcy s TYR 69 N -1.25 -0.36 0.08 5.38 5.04 0.34 -1.84 117.35 124.73 2dcy s TYR 69 Ca 0.55 0.85 -0.11 0.00 -2.44 0.00 0.00 57.07 55.92 2dcy s TYR 69 Cb -0.38 0.11 0.04 0.00 0.35 0.00 0.00 41.96 42.08 2dcy s TYR 69 CO 0.49 -0.21 0.52 0.41 -1.34 0.00 0.00 175.55 175.42 2dcy n GLY 70 N 3.66 0.92 3.10 8.97 0.00 -0.91 -0.70 105.19 120.22 2dcy n GLY 70 Ca -0.19 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 2dcy n GLY 70 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dcy s TRP 71 N -3.96 0.79 -0.08 1.61 0.52 -1.21 -0.97 118.94 115.64 2dcy s TRP 71 Ca 0.12 -0.58 0.03 0.00 0.02 0.00 0.00 56.10 55.69 2dcy s TRP 71 Cb -0.01 -0.46 -0.01 0.00 -1.15 0.00 0.00 33.47 31.83 2dcy s TRP 71 CO 0.03 -0.07 -0.19 0.95 0.02 0.00 0.00 176.95 177.69 2dcy s THR 72 N -1.85 2.61 0.44 2.01 -4.23 -0.86 -2.13 115.64 111.63 2dcy s THR 72 Ca -0.04 -0.85 -0.18 0.00 -1.18 0.00 0.00 61.69 59.44 2dcy s THR 72 Cb -0.07 -2.02 -0.09 0.00 1.34 0.00 0.00 72.50 71.66 2dcy s THR 72 CO -0.00 0.56 0.92 -0.60 -0.54 0.00 0.00 174.62 174.96 2dcy s ARG 73 N -0.08 4.07 0.00 3.99 3.52 0.04 -0.22 118.95 130.28 2dcy s ARG 73 Ca -0.04 0.96 0.00 0.00 -0.13 0.00 0.00 55.73 56.52 2dcy s ARG 73 Cb -0.14 -2.21 0.00 0.00 -1.56 0.00 0.00 34.95 31.03 2dcy s ARG 73 CO 0.04 -0.08 0.00 0.45 -0.81 0.00 0.00 175.30 174.90 2dcy n SER 74 N -0.96 0.00 -4.85 -2.12 2.88 -1.26 -1.13 113.62 106.19 2dcy n SER 74 Ca 0.06 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.37 2dcy n SER 74 Cb 0.54 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.07 2dcy n SER 74 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2dcy s PRO 75 N 0.00 2.13 -0.43 -1.46 0.05 -1.26 -4.53 135.00 129.50 2dcy s PRO 75 Ca 0.00 -0.73 -0.28 0.00 0.05 0.00 0.00 61.00 60.04 2dcy s PRO 75 Cb 0.00 -2.34 -0.02 0.00 0.05 0.00 0.00 34.50 32.19 2dcy s PRO 75 CO 0.00 -1.12 1.88 -1.17 0.05 0.00 0.00 177.00 176.64 2dcy s LEU 76 N -5.04 3.43 -0.02 -3.56 2.96 -1.24 -4.66 118.68 110.56 2dcy s LEU 76 Ca 0.61 1.01 0.03 0.00 -0.22 0.00 0.00 54.13 55.56 2dcy s LEU 76 Cb -0.09 -3.13 -0.00 0.00 0.50 0.00 0.00 46.19 43.47 2dcy s LEU 76 CO 0.42 -2.02 -0.10 -0.63 -1.32 0.00 0.00 176.35 172.71 2dcy s ILE 77 N 8.04 0.79 -0.18 6.68 1.01 0.69 -4.17 121.20 134.06 2dcy s ILE 77 Ca 0.78 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.96 2dcy s ILE 77 Cb -0.19 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 2dcy s ILE 77 CO 0.29 0.23 0.05 -0.70 0.00 0.00 0.00 174.94 174.82 2dcy s GLU 78 N -0.05 3.95 0.14 2.79 2.12 -1.02 -2.02 118.70 124.60 2dcy s GLU 78 Ca 0.01 -0.36 0.06 0.00 0.36 0.00 0.00 54.97 55.04 2dcy s GLU 78 Cb -0.06 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 2dcy s GLU 78 CO -0.00 0.28 -0.14 1.52 -0.54 0.00 0.00 175.26 176.37 2dcy s TYR 79 N 0.35 1.48 0.01 5.30 -0.85 -0.15 -1.38 117.35 122.11 2dcy s TYR 79 Ca 0.02 -0.56 0.00 0.00 -0.52 0.00 0.00 57.07 56.01 2dcy s TYR 79 Cb -0.12 -0.76 -0.01 0.00 0.38 0.00 0.00 41.96 41.45 2dcy s TYR 79 CO 0.00 0.19 -0.01 0.71 -1.52 0.00 0.00 175.55 174.92 2dcy s TYR 80 N -2.31 0.12 -0.35 -3.49 1.51 -0.18 -2.15 117.35 110.50 2dcy s TYR 80 Ca 0.12 -0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.01 2dcy s TYR 80 Cb -0.04 -0.08 0.10 0.00 -0.11 0.00 0.00 41.96 41.83 2dcy s TYR 80 CO 0.04 -0.07 0.09 0.08 -1.11 0.00 0.00 175.55 174.58 2dcy s VAL 81 N -0.53 1.83 -0.30 0.71 1.01 -0.77 -1.35 120.40 121.01 2dcy s VAL 81 Ca -0.06 -2.12 -0.22 0.00 0.00 0.00 0.00 61.98 59.58 2dcy s VAL 81 Cb -0.04 -2.35 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 2dcy s VAL 81 CO -0.00 -0.65 0.73 -0.69 0.00 0.00 0.00 175.10 174.48 2dcy s VAL 82 N 1.02 4.86 -0.16 2.92 1.01 0.63 -0.76 120.40 129.93 2dcy s VAL 82 Ca 0.11 1.11 0.06 0.00 0.00 0.00 0.00 61.98 63.26 2dcy s VAL 82 Cb -0.19 -4.08 -0.23 0.00 0.00 0.00 0.00 36.38 31.88 2dcy s VAL 82 CO -0.12 -0.17 0.20 0.47 0.00 0.00 0.00 175.10 175.47 2dcy n ASP 83 N 6.04 1.30 -4.08 3.32 8.00 -0.04 -1.28 116.55 129.82 2dcy n ASP 83 Ca 0.02 0.11 -0.10 0.00 0.71 0.00 0.00 54.79 55.53 2dcy n ASP 83 Cb 0.48 -0.12 -0.07 0.00 -0.02 0.00 0.00 41.12 41.39 2dcy n ASP 83 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2dcy s SER 84 N -6.32 0.01 0.21 -2.24 0.15 -1.06 -0.81 113.70 103.65 2dcy s SER 84 Ca -0.19 -1.11 -0.06 0.00 0.70 0.00 0.00 55.95 55.29 2dcy s SER 84 Cb 0.07 0.50 0.03 0.00 -1.71 0.00 0.00 66.02 64.91 2dcy s SER 84 CO 0.75 -1.01 0.40 -2.67 1.20 0.00 0.00 173.24 171.91 2dcy n TRP 85 N -0.33 -1.56 0.00 3.44 2.14 -1.26 -0.95 117.44 118.92 2dcy n TRP 85 Ca -0.00 -1.12 0.00 0.00 2.07 0.00 0.00 57.50 58.45 2dcy n TRP 85 Cb 0.64 0.46 0.00 0.00 -0.81 0.00 0.00 31.31 31.60 2dcy n TRP 85 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2dcy n GLY 86 N -0.31 0.61 0.01 -1.67 0.00 -0.47 -4.90 105.19 98.46 2dcy n GLY 86 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 2dcy n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dcy n THR 87 N 0.00 0.04 -4.02 2.61 -2.24 -0.40 -4.83 114.28 105.44 2dcy n THR 87 Ca 0.00 -0.02 -0.26 0.00 -2.27 0.00 0.00 64.05 61.50 2dcy n THR 87 Cb 0.00 -0.29 -0.17 0.00 -2.10 0.00 0.00 70.33 67.77 2dcy n THR 87 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2dcy s TYR 88 N -3.01 1.43 -0.31 4.78 5.04 -1.26 -4.97 117.35 119.05 2dcy s TYR 88 Ca 0.13 -0.67 -0.18 0.00 -2.44 0.00 0.00 57.07 53.90 2dcy s TYR 88 Cb 0.18 -1.18 -0.01 0.00 0.35 0.00 0.00 41.96 41.30 2dcy s TYR 88 CO 0.59 -0.46 0.51 0.50 -1.34 0.00 0.00 175.55 175.35 2dcy s ARG 89 N 1.51 3.81 0.06 4.97 3.52 -1.26 -4.86 118.95 126.70 2dcy s ARG 89 Ca 0.01 0.04 -0.31 0.00 -0.13 0.00 0.00 55.73 55.34 2dcy s ARG 89 Cb -0.13 -3.75 -0.06 0.00 -1.56 0.00 0.00 34.95 29.45 2dcy s ARG 89 CO -0.06 -0.53 1.34 -1.25 -0.81 0.00 0.00 175.30 173.99 2dcy s PRO 90 N 2.37 4.34 0.29 5.12 0.04 -1.26 -5.00 135.00 140.90 2dcy s PRO 90 Ca 0.20 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.22 2dcy s PRO 90 Cb -0.15 -3.38 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 2dcy s PRO 90 CO 0.12 -0.44 0.12 0.95 0.04 0.00 0.00 177.00 177.80 2dcy s THR 91 N 1.52 0.49 0.00 1.26 -4.23 -1.26 -4.89 115.64 108.53 2dcy s THR 91 Ca 0.63 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 2dcy s THR 91 Cb -0.33 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 70.94 2dcy s THR 91 CO 0.29 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 2dcy n GLY 92 N -0.56 2.74 3.61 3.99 0.00 -1.26 -4.99 105.19 108.71 2dcy n GLY 92 Ca -0.00 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2dcy n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dcy s THR 93 N -0.02 3.75 0.13 2.61 2.01 -0.17 -4.84 115.64 119.11 2dcy s THR 93 Ca 0.00 0.79 -0.31 0.00 0.31 0.00 0.00 61.69 62.48 2dcy s THR 93 Cb 0.00 -3.94 -0.08 0.00 0.01 0.00 0.00 72.50 68.48 2dcy s THR 93 CO 0.00 -0.55 1.40 -0.47 -0.69 0.00 0.00 174.62 174.31 2dcy s TYR 94 N 5.77 3.22 -0.06 4.92 5.04 -1.26 -2.00 117.35 132.98 2dcy s TYR 94 Ca 0.68 0.94 0.03 0.00 -2.44 0.00 0.00 57.07 56.28 2dcy s TYR 94 Cb -0.18 -3.70 -0.05 0.00 0.35 0.00 0.00 41.96 38.37 2dcy s TYR 94 CO 0.32 -2.46 -0.02 1.17 -1.34 0.00 0.00 175.55 173.22 2dcy n LYS 95 N 3.79 1.72 -3.93 4.97 3.00 0.52 -4.98 118.16 123.25 2dcy n LYS 95 Ca 0.11 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 2dcy n LYS 95 Cb 0.42 -1.13 0.00 0.00 0.00 0.00 0.00 35.03 34.31 2dcy n LYS 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dcy n GLY 96 N 2.92 -1.04 3.47 3.14 0.00 -1.24 -5.01 105.19 107.43 2dcy n GLY 96 Ca -0.10 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 2dcy n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dcy s THR 97 N -3.00 1.89 -0.11 2.61 -4.23 -1.26 -0.73 115.64 110.81 2dcy s THR 97 Ca 0.00 -2.16 -0.09 0.00 -1.18 0.00 0.00 61.69 58.26 2dcy s THR 97 Cb 0.00 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.36 2dcy s THR 97 CO 0.00 -0.27 0.29 0.54 -0.54 0.00 0.00 174.62 174.64 2dcy s VAL 98 N -2.85 -0.01 -0.13 2.29 0.11 -0.28 -4.95 120.40 114.58 2dcy s VAL 98 Ca 0.31 0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 59.29 2dcy s VAL 98 Cb 0.03 -0.42 -0.05 0.00 -1.53 0.00 0.00 36.38 34.41 2dcy s VAL 98 CO 0.14 0.02 0.24 -0.54 -3.33 0.00 0.00 175.10 171.63 2dcy s LYS 99 N 0.60 3.97 -0.27 1.54 1.02 -1.26 -0.31 119.74 125.03 2dcy s LYS 99 Ca -0.04 0.02 -0.24 0.00 0.02 0.00 0.00 55.97 55.74 2dcy s LYS 99 Cb -0.05 -3.33 0.07 0.00 -0.52 0.00 0.00 37.83 34.00 2dcy s LYS 99 CO -0.04 0.47 0.73 0.45 -0.92 0.00 0.00 175.35 176.04 2dcy s SER 100 N -0.20 -0.77 -1.58 2.83 0.15 -0.40 -4.99 113.70 108.74 2dcy s SER 100 Ca 0.16 1.44 -0.15 0.00 0.70 0.00 0.00 55.95 58.10 2dcy s SER 100 Cb -0.13 1.44 0.11 0.00 -1.71 0.00 0.00 66.02 65.73 2dcy s SER 100 CO 0.04 -0.25 0.91 0.47 1.20 0.00 0.00 173.24 175.62 2dcy n ASP 101 N 2.90 -4.19 -0.05 5.45 8.00 -1.26 -1.32 116.55 126.08 2dcy n ASP 101 Ca -0.15 -0.86 -0.01 0.00 0.71 0.00 0.00 54.79 54.49 2dcy n ASP 101 Cb 0.56 -3.53 -0.00 0.00 -0.02 0.00 0.00 41.12 38.13 2dcy n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dcy n GLY 102 N -1.61 0.45 3.36 0.44 0.00 -1.26 -4.93 105.19 101.64 2dcy n GLY 102 Ca 0.04 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 2dcy n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dcy s GLY 103 N -2.16 1.50 -0.12 -0.02 0.00 -0.43 -5.14 107.32 100.94 2dcy s GLY 103 Ca 0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 44.72 42.99 2dcy s GLY 103 CO 0.00 -1.76 -0.05 -1.59 0.00 0.00 0.00 173.10 169.70 2dcy s THR 104 N -3.02 3.85 -0.05 0.90 2.01 -1.26 -1.27 115.64 116.79 2dcy s THR 104 Ca 0.24 -0.39 0.06 0.00 0.31 0.00 0.00 61.69 61.91 2dcy s THR 104 Cb 0.01 -2.65 -0.01 0.00 0.01 0.00 0.00 72.50 69.86 2dcy s THR 104 CO 0.08 0.54 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.99 2dcy s TYR 105 N -0.09 2.44 0.43 4.92 1.51 0.58 -0.79 117.35 126.35 2dcy s TYR 105 Ca 0.02 -0.62 -0.19 0.00 -1.01 0.00 0.00 57.07 55.26 2dcy s TYR 105 Cb -0.13 -1.59 -0.10 0.00 -0.11 0.00 0.00 41.96 40.03 2dcy s TYR 105 CO 0.03 -0.15 0.93 -0.51 -1.11 0.00 0.00 175.55 174.73 2dcy s ASP 106 N -0.28 6.86 -0.14 2.29 1.01 0.17 -1.13 116.67 125.44 2dcy s ASP 106 Ca 0.00 1.61 -0.01 0.00 0.71 0.00 0.00 52.55 54.86 2dcy s ASP 106 Cb -0.13 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 2dcy s ASP 106 CO 0.03 -0.38 -0.11 -0.63 0.21 0.00 0.00 175.17 174.29 2dcy s ILE 107 N -2.24 3.20 0.08 0.77 1.01 0.09 -0.24 121.20 123.87 2dcy s ILE 107 Ca 0.60 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.67 2dcy s ILE 107 Cb -0.09 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 2dcy s ILE 107 CO 0.17 0.51 -0.07 -0.31 0.00 0.00 0.00 174.94 175.24 2dcy s TYR 108 N 0.49 0.84 0.09 3.97 2.02 -0.43 -0.35 117.35 123.97 2dcy s TYR 108 Ca -0.08 -0.75 0.10 0.00 -0.37 0.00 0.00 57.07 55.97 2dcy s TYR 108 Cb -0.15 -0.49 -0.04 0.00 -0.40 0.00 0.00 41.96 40.88 2dcy s TYR 108 CO 0.04 -0.11 -0.24 0.95 -1.57 0.00 0.00 175.55 174.62 2dcy s THR 109 N -2.74 2.38 0.22 -0.71 -4.23 -0.85 -1.09 115.64 108.62 2dcy s THR 109 Ca 0.04 -1.53 -0.07 0.00 -1.18 0.00 0.00 61.69 58.94 2dcy s THR 109 Cb -0.01 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 2dcy s THR 109 CO -0.02 0.21 0.31 0.42 -0.54 0.00 0.00 174.62 174.99 2dcy s THR 110 N -0.98 0.01 -0.02 3.99 -4.23 -0.90 -1.00 115.64 112.51 2dcy s THR 110 Ca 0.14 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 59.02 2dcy s THR 110 Cb -0.10 -2.30 -0.00 0.00 1.34 0.00 0.00 72.50 71.43 2dcy s THR 110 CO 0.05 -0.03 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.08 2dcy s THR 111 N -4.08 1.09 -0.08 3.99 2.01 -1.26 -0.20 115.64 117.11 2dcy s THR 111 Ca 0.29 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 2dcy s THR 111 Cb 0.03 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 2dcy s THR 111 CO 0.10 0.32 0.01 -0.13 -0.69 0.00 0.00 174.62 174.23 2dcy s ARG 112 N -0.08 3.01 -0.09 4.92 1.81 0.15 -5.00 118.95 123.66 2dcy s ARG 112 Ca 0.01 -0.40 0.04 0.00 -1.72 0.00 0.00 55.73 53.66 2dcy s ARG 112 Cb -0.08 -2.82 0.00 0.00 -0.45 0.00 0.00 34.95 31.60 2dcy s ARG 112 CO 0.00 0.70 -0.23 0.71 -0.68 0.00 0.00 175.30 175.81 2dcy s TYR 113 N -0.91 2.43 -1.45 -0.53 2.02 -1.26 -2.18 117.35 115.47 2dcy s TYR 113 Ca 0.14 -0.97 -0.00 0.00 -0.37 0.00 0.00 57.07 55.86 2dcy s TYR 113 Cb -0.11 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 2dcy s TYR 113 CO 0.03 -0.39 0.32 0.09 -1.57 0.00 0.00 175.55 174.03 2dcy n ASN 114 N 3.52 -0.02 -4.40 2.29 4.13 -0.92 -4.93 115.26 114.93 2dcy n ASN 114 Ca -0.19 -1.07 -0.26 0.00 1.68 0.00 0.00 54.58 54.74 2dcy n ASN 114 Cb 0.53 -2.69 -0.12 0.00 -1.54 0.00 0.00 39.78 35.97 2dcy n ASN 114 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dcy s ALA 115 N -4.06 2.40 0.38 5.41 0.00 0.31 -4.54 121.76 121.67 2dcy s ALA 115 Ca 0.01 -1.60 -0.27 0.00 0.00 0.00 0.00 51.96 50.11 2dcy s ALA 115 Cb -0.01 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 22.73 2dcy s ALA 115 CO 0.92 0.38 1.28 -2.14 0.00 0.00 0.00 175.76 176.20 2dcy s PRO 116 N -2.69 4.09 0.00 0.00 0.02 -1.07 -0.92 135.00 134.44 2dcy s PRO 116 Ca 0.19 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.34 2dcy s PRO 116 Cb -0.07 -2.84 0.00 0.00 0.02 0.00 0.00 34.50 31.61 2dcy s PRO 116 CO 0.09 -0.38 0.00 -1.13 -0.33 0.00 0.00 177.00 175.25 2dcy n SER 117 N 0.31 0.00 -0.15 2.53 3.41 -0.58 -4.92 113.62 114.22 2dcy n SER 117 Ca 0.03 -0.53 0.07 0.00 -0.26 0.00 0.00 58.87 58.18 2dcy n SER 117 Cb 0.43 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.74 2dcy n SER 117 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2dcy n ILE 118 N 0.00 0.08 -0.02 -1.33 -5.35 -1.26 -3.55 119.36 107.93 2dcy n ILE 118 Ca 0.00 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 2dcy n ILE 118 Cb 0.00 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 2dcy n ILE 118 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2dcy n ASP 119 N -0.41 0.77 0.00 7.28 10.43 -1.26 -5.11 116.55 128.25 2dcy n ASP 119 Ca 0.11 -0.89 0.00 0.00 2.57 0.00 0.00 54.79 56.57 2dcy n ASP 119 Cb 0.12 0.20 0.00 0.00 1.84 0.00 0.00 41.12 43.28 2dcy n ASP 119 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2dcy n GLY 120 N 0.20 3.13 0.18 0.44 0.00 -1.23 -4.96 105.19 102.95 2dcy n GLY 120 Ca 0.00 -1.34 0.14 0.00 0.00 0.00 0.00 46.02 44.82 2dcy n GLY 120 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2dcy h ASP 121 N 0.00 0.00 -3.01 1.61 -0.00 -1.86 -1.54 116.42 111.62 2dcy h ASP 121 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 57.03 56.46 2dcy h ASP 121 Cb 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 39.33 38.93 2dcy h ASP 121 CO 0.00 0.00 -0.77 -0.60 -0.00 0.00 0.00 179.24 177.87 2dcy s ARG 122 N -3.44 0.60 0.10 4.15 3.52 -1.26 -2.59 118.95 120.04 2dcy s ARG 122 Ca 0.03 -1.06 -0.04 0.00 -0.13 0.00 0.00 55.73 54.54 2dcy s ARG 122 Cb 0.09 -1.69 -0.03 0.00 -1.56 0.00 0.00 34.95 31.76 2dcy s ARG 122 CO 0.44 -1.05 0.08 0.95 -0.81 0.00 0.00 175.30 174.92 2dcy s THR 123 N 1.54 0.15 -0.12 4.11 -4.23 -0.10 -4.77 115.64 112.23 2dcy s THR 123 Ca 0.12 -1.64 0.01 0.00 -1.18 0.00 0.00 61.69 58.99 2dcy s THR 123 Cb -0.18 -1.67 0.02 0.00 1.34 0.00 0.00 72.50 72.00 2dcy s THR 123 CO -0.22 -0.68 -0.14 -0.89 -0.54 0.00 0.00 174.62 172.15 2dcy s THR 124 N -3.95 1.46 0.10 3.99 2.01 -1.26 -0.53 115.64 117.46 2dcy s THR 124 Ca 0.13 -0.61 -0.24 0.00 0.31 0.00 0.00 61.69 61.28 2dcy s THR 124 Cb 0.07 -1.35 0.06 0.00 0.01 0.00 0.00 72.50 71.28 2dcy s THR 124 CO -0.06 0.44 0.59 0.72 -0.69 0.00 0.00 174.62 175.62 2dcy s PHE 125 N 1.14 -0.52 0.38 4.92 -0.12 -0.93 -5.02 117.98 117.83 2dcy s PHE 125 Ca -0.04 0.46 -0.11 0.00 -0.05 0.00 0.00 56.93 57.20 2dcy s PHE 125 Cb -0.14 0.47 -0.07 0.00 -0.63 0.00 0.00 43.02 42.65 2dcy s PHE 125 CO -0.04 -0.76 0.74 0.99 -0.05 0.00 0.00 175.22 176.11 2dcy s THR 126 N -3.08 4.79 -0.03 -4.49 2.01 -1.26 -0.68 115.64 112.90 2dcy s THR 126 Ca -0.02 0.63 0.05 0.00 0.31 0.00 0.00 61.69 62.66 2dcy s THR 126 Cb -0.01 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 2dcy s THR 126 CO -0.07 -0.44 -0.17 -1.10 -0.69 0.00 0.00 174.62 172.15 2dcy s GLN 127 N -3.67 1.65 -0.04 4.92 -0.21 0.72 -2.44 119.66 120.58 2dcy s GLN 127 Ca 0.51 -0.61 0.02 0.00 0.02 0.00 0.00 55.36 55.30 2dcy s GLN 127 Cb -0.10 -1.48 -0.03 0.00 1.00 0.00 0.00 33.01 32.40 2dcy s GLN 127 CO 0.29 0.29 -0.08 0.71 -2.12 0.00 0.00 175.29 174.38 2dcy s TYR 128 N -0.11 2.89 -0.01 0.91 2.02 -0.48 -2.12 117.35 120.45 2dcy s TYR 128 Ca -0.00 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.68 2dcy s TYR 128 Cb -0.10 -1.67 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 2dcy s TYR 128 CO 0.01 0.33 -0.00 -1.58 -1.57 0.00 0.00 175.55 172.73 2dcy s TRP 129 N -0.86 0.16 -0.16 2.71 0.52 -0.25 -1.01 118.94 120.05 2dcy s TRP 129 Ca 0.14 0.01 -0.03 0.00 0.02 0.00 0.00 56.10 56.24 2dcy s TRP 129 Cb -0.11 -0.20 -0.02 0.00 -1.15 0.00 0.00 33.47 31.99 2dcy s TRP 129 CO 0.03 -0.05 -0.05 -1.12 0.02 0.00 0.00 176.95 175.78 2dcy s SER 130 N 0.43 4.65 -0.11 2.95 0.01 -0.46 -1.32 113.70 119.86 2dcy s SER 130 Ca -0.04 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.06 2dcy s SER 130 Cb -0.06 -1.76 0.02 0.00 0.21 0.00 0.00 66.02 64.43 2dcy s SER 130 CO -0.01 0.15 -0.14 -0.69 0.41 0.00 0.00 173.24 172.97 2dcy s VAL 131 N 0.45 1.40 0.55 3.43 1.01 0.66 -0.26 120.40 127.63 2dcy s VAL 131 Ca -0.04 -0.57 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 2dcy s VAL 131 Cb -0.14 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 2dcy s VAL 131 CO 0.03 0.42 1.35 -1.14 0.00 0.00 0.00 175.10 175.77 2dcy n ARG 132 N 4.37 1.66 0.11 2.72 0.63 -0.40 -0.65 116.66 125.09 2dcy n ARG 132 Ca -0.18 0.61 -0.04 0.00 -0.92 0.00 0.00 57.85 57.33 2dcy n ARG 132 Cb 0.51 -2.57 0.12 0.00 0.45 0.00 0.00 32.46 30.96 2dcy n ARG 132 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2dcy h GLN 133 N 1.38 0.09 -5.21 -0.14 4.20 -1.32 -3.44 115.11 110.66 2dcy h GLN 133 Ca -0.51 -0.07 -0.40 0.00 0.06 0.00 0.00 58.65 57.73 2dcy h GLN 133 Cb 1.31 0.01 -0.23 0.00 0.30 0.00 0.00 27.48 28.87 2dcy h GLN 133 CO 0.57 0.72 -0.78 -1.12 -0.67 0.00 0.00 178.83 177.56 2dcy s SER 134 N -6.86 1.54 0.12 1.46 0.01 -1.26 -5.09 113.70 103.62 2dcy s SER 134 Ca -0.02 -0.55 -0.33 0.00 1.31 0.00 0.00 55.95 56.36 2dcy s SER 134 Cb 0.12 -0.06 -0.13 0.00 0.21 0.00 0.00 66.02 66.17 2dcy s SER 134 CO 0.78 -0.06 1.70 0.29 0.41 0.00 0.00 173.24 176.37 2dcy n LYS 135 N 1.53 2.39 -2.28 12.44 5.02 -1.26 -4.93 118.16 131.06 2dcy n LYS 135 Ca -0.20 0.86 -0.42 0.00 -2.02 0.00 0.00 58.31 56.53 2dcy n LYS 135 Cb 0.54 -2.68 -0.03 0.00 -0.02 0.00 0.00 35.03 32.84 2dcy n LYS 135 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2dcy s ARG 136 N 1.79 4.38 0.35 1.97 3.52 0.01 -4.98 118.95 126.00 2dcy s ARG 136 Ca 0.81 1.95 -0.26 0.00 -0.13 0.00 0.00 55.73 58.10 2dcy s ARG 136 Cb -0.61 -3.28 -0.12 0.00 -1.56 0.00 0.00 34.95 29.38 2dcy s ARG 136 CO 0.39 -0.33 1.04 -2.30 -0.81 0.00 0.00 175.30 173.29 2dcy n PRO 137 N 3.70 1.45 -4.39 5.12 -0.02 -1.26 -4.80 135.00 134.79 2dcy n PRO 137 Ca 0.09 0.51 -0.25 0.00 -2.02 0.00 0.00 63.50 61.84 2dcy n PRO 137 Cb 0.44 -1.99 -0.10 0.00 -0.02 0.00 0.00 33.50 31.83 2dcy n PRO 137 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2dcy s THR 138 N -1.17 2.76 0.00 3.45 -4.23 -1.26 -4.80 115.64 110.39 2dcy s THR 138 Ca 0.60 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 2dcy s THR 138 Cb -0.62 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 70.81 2dcy s THR 138 CO 0.59 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 175.00 2dcy n GLY 139 N -0.35 2.57 3.81 3.99 0.00 -0.79 -4.98 105.19 109.44 2dcy n GLY 139 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 2dcy n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dcy s SER 140 N -1.43 5.09 0.23 1.61 0.01 -1.26 -4.82 113.70 113.14 2dcy s SER 140 Ca 0.00 -0.59 -0.31 0.00 1.31 0.00 0.00 55.95 56.37 2dcy s SER 140 Cb 0.00 -0.89 -0.10 0.00 0.21 0.00 0.00 66.02 65.23 2dcy s SER 140 CO 0.00 -0.34 1.53 0.20 0.41 0.00 0.00 173.24 175.04 2dcy s ASN 141 N -3.95 6.55 0.06 2.44 0.01 -1.26 -4.51 114.94 114.27 2dcy s ASN 141 Ca 0.40 2.74 0.04 0.00 -0.71 0.00 0.00 52.86 55.32 2dcy s ASN 141 Cb -0.05 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 38.97 2dcy s ASN 141 CO 0.25 -0.81 -0.12 0.00 -1.51 0.00 0.00 177.10 174.92 2dcy s ALA 142 N 0.39 0.95 -0.00 0.60 0.00 0.43 -4.99 121.76 119.13 2dcy s ALA 142 Ca 0.64 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.79 2dcy s ALA 142 Cb -0.44 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 2dcy s ALA 142 CO 0.40 0.10 -0.24 0.99 0.00 0.00 0.00 175.76 177.02 2dcy s THR 143 N -1.25 1.87 -0.25 0.00 2.01 -1.26 -0.58 115.64 116.18 2dcy s THR 143 Ca -0.04 -1.08 -0.00 0.00 0.31 0.00 0.00 61.69 60.87 2dcy s THR 143 Cb -0.10 -1.57 0.04 0.00 0.01 0.00 0.00 72.50 70.88 2dcy s THR 143 CO 0.01 0.46 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.70 2dcy s ILE 144 N -0.62 2.61 -1.04 1.82 1.01 0.97 -4.77 121.20 121.19 2dcy s ILE 144 Ca 0.09 -1.25 -0.18 0.00 0.00 0.00 0.00 60.65 59.31 2dcy s ILE 144 Cb -0.09 -2.39 0.12 0.00 0.01 0.00 0.00 42.46 40.11 2dcy s ILE 144 CO -0.00 0.12 1.30 -0.89 0.00 0.00 0.00 174.94 175.47 2dcy s THR 145 N 1.25 4.61 0.49 2.92 2.01 -1.26 -1.14 115.64 124.52 2dcy s THR 145 Ca -0.03 -1.70 0.17 0.00 0.31 0.00 0.00 61.69 60.43 2dcy s THR 145 Cb -0.18 -4.89 0.31 0.00 0.01 0.00 0.00 72.50 67.75 2dcy s THR 145 CO -0.05 -1.65 2.07 0.15 -0.69 0.00 0.00 174.62 174.45 2dcy h PHE 146 N 8.52 0.15 -1.00 4.92 3.57 -1.84 -0.74 116.94 130.52 2dcy h PHE 146 Ca 0.22 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.87 2dcy h PHE 146 Cb 0.98 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 39.58 2dcy h PHE 146 CO 1.19 0.08 0.63 0.66 -2.23 0.00 0.00 178.31 178.64 2dcy h SER 147 N 0.15 0.88 -0.91 0.41 4.64 -1.72 -0.67 113.55 116.32 2dcy h SER 147 Ca 0.13 0.06 0.03 0.00 -0.47 0.00 0.00 61.79 61.54 2dcy h SER 147 Cb 0.33 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 2dcy h SER 147 CO -0.02 0.42 0.60 0.78 -0.87 0.00 0.00 176.83 177.74 2dcy h ASN 148 N 0.92 1.00 -0.01 4.97 -0.26 -1.45 -0.86 115.58 119.89 2dcy h ASN 148 Ca 0.52 -0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 56.19 2dcy h ASN 148 Cb 0.63 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 2dcy h ASN 148 CO -0.30 0.70 -0.23 0.45 -1.06 0.00 0.00 177.43 176.99 2dcy h HIS 149 N 1.17 0.26 -0.88 1.19 3.86 -1.31 -1.94 115.15 117.50 2dcy h HIS 149 Ca 0.36 -0.13 0.05 0.00 -1.16 0.00 0.00 60.37 59.48 2dcy h HIS 149 Cb -0.02 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.36 2dcy h HIS 149 CO -0.00 0.90 0.56 0.28 0.86 0.00 0.00 177.93 180.53 2dcy h VAL 150 N -0.46 1.09 -0.13 2.45 2.07 -0.98 0.23 116.25 120.52 2dcy h VAL 150 Ca -0.03 -0.36 -0.18 0.00 0.82 0.00 0.00 66.70 66.96 2dcy h VAL 150 Cb 0.96 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2dcy h VAL 150 CO 0.05 0.19 -0.66 0.78 0.02 0.00 0.00 177.57 177.94 2dcy h ASN 151 N 1.05 0.58 -0.43 0.57 2.35 -1.23 -0.13 115.58 118.33 2dcy h ASN 151 Ca 0.37 -0.35 -0.14 0.00 -0.55 0.00 0.00 56.30 55.63 2dcy h ASN 151 Cb 0.10 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2dcy h ASN 151 CO -0.15 1.08 -0.27 0.00 -1.65 0.00 0.00 177.43 176.45 2dcy h ALA 152 N 0.91 0.62 -0.60 -0.83 0.00 -0.97 -2.62 119.26 115.78 2dcy h ALA 152 Ca -0.02 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.53 2dcy h ALA 152 Cb 1.23 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2dcy h ALA 152 CO 0.12 0.64 0.33 -1.49 0.00 0.00 0.00 179.25 178.85 2dcy h TRP 153 N 0.78 0.61 -0.51 0.00 6.55 -0.39 -2.76 115.95 120.23 2dcy h TRP 153 Ca 0.09 0.02 0.09 0.00 0.95 0.00 0.00 58.89 60.04 2dcy h TRP 153 Cb 0.85 -0.19 -0.07 0.00 -0.86 0.00 0.00 29.16 28.90 2dcy h TRP 153 CO 0.06 0.30 0.09 -0.22 -1.05 0.00 0.00 178.44 177.62 2dcy h LYS 154 N 0.63 0.22 0.00 0.49 3.64 -0.79 0.43 116.57 121.18 2dcy h LYS 154 Ca 0.26 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2dcy h LYS 154 Cb 0.13 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2dcy h LYS 154 CO -0.16 0.14 0.00 -1.13 -2.27 0.00 0.00 179.45 176.04 2dcy n SER 155 N -5.13 0.06 -0.49 4.20 3.41 -1.01 -2.00 113.62 112.66 2dcy n SER 155 Ca 0.06 0.52 0.06 0.00 -0.26 0.00 0.00 58.87 59.25 2dcy n SER 155 Cb 0.26 -0.53 0.15 0.00 -0.26 0.00 0.00 64.21 63.82 2dcy n SER 155 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2dcy n HIS 156 N -1.58 0.44 -1.05 7.33 8.25 0.10 -4.97 115.22 123.74 2dcy n HIS 156 Ca 0.01 -0.70 -0.02 0.00 -0.26 0.00 0.00 57.72 56.76 2dcy n HIS 156 Cb 0.05 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.02 2dcy n HIS 156 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dcy n GLY 157 N -0.32 0.52 3.27 -1.41 0.00 -0.85 -5.00 105.19 101.40 2dcy n GLY 157 Ca 0.13 -0.86 -0.44 0.00 0.00 0.00 0.00 46.02 44.85 2dcy n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dcy s MET 158 N -1.89 2.76 -0.12 1.61 -1.94 -0.94 -5.03 119.30 113.75 2dcy s MET 158 Ca 0.00 -1.71 0.01 0.00 -1.71 0.00 0.00 55.69 52.27 2dcy s MET 158 Cb 0.00 -4.12 -0.02 0.00 2.01 0.00 0.00 34.83 32.70 2dcy s MET 158 CO 0.00 -1.25 -0.14 -0.80 -0.01 0.00 0.00 175.02 172.82 2dcy s ASN 159 N 3.13 3.94 0.07 3.03 -0.87 -1.26 -3.58 114.94 119.41 2dcy s ASN 159 Ca 0.04 -0.33 0.16 0.00 -1.57 0.00 0.00 52.86 51.16 2dcy s ASN 159 Cb -0.28 -1.49 -0.13 0.00 -0.02 0.00 0.00 41.25 39.33 2dcy s ASN 159 CO 0.02 0.19 0.89 -0.07 -2.57 0.00 0.00 177.10 175.56 2dcy h LEU 160 N 6.51 0.00 0.00 0.60 3.38 -1.97 -3.49 115.31 120.34 2dcy h LEU 160 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2dcy h LEU 160 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2dcy h LEU 160 CO 0.54 0.64 0.00 0.61 0.09 0.00 0.00 178.44 180.33 2dcy n GLY 161 N 1.40 -1.43 0.20 0.83 0.00 -1.26 -4.51 105.19 100.41 2dcy n GLY 161 Ca -0.09 -1.29 -0.07 0.00 0.00 0.00 0.00 46.02 44.57 2dcy n GLY 161 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dcy n SER 162 N -0.11 2.70 -4.53 1.61 7.64 -1.17 -4.88 113.62 114.88 2dcy n SER 162 Ca 0.00 -0.01 -0.42 0.00 1.01 0.00 0.00 58.87 59.45 2dcy n SER 162 Cb 0.00 -0.17 -0.08 0.00 -1.01 0.00 0.00 64.21 62.95 2dcy n SER 162 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2dcy s ASN 163 N -5.10 6.27 -0.22 6.43 0.01 -0.28 -5.00 114.94 117.04 2dcy s ASN 163 Ca -0.12 -0.28 -0.23 0.00 -0.71 0.00 0.00 52.86 51.51 2dcy s ASN 163 Cb 0.04 -2.26 -0.01 0.00 0.41 0.00 0.00 41.25 39.42 2dcy s ASN 163 CO 0.20 -0.56 0.76 0.26 -1.51 0.00 0.00 177.10 176.25 2dcy s TRP 164 N 2.39 3.34 0.00 2.20 0.52 -1.26 -0.78 118.94 125.35 2dcy s TRP 164 Ca 0.17 1.07 0.00 0.00 0.02 0.00 0.00 56.10 57.36 2dcy s TRP 164 Cb -0.16 -2.97 0.00 0.00 -1.15 0.00 0.00 33.47 29.20 2dcy s TRP 164 CO 0.14 -0.32 0.00 0.00 0.02 0.00 0.00 176.95 176.79 2dcy n ALA 165 N 5.65 0.00 -1.47 0.98 0.00 -0.91 -4.34 120.51 120.44 2dcy n ALA 165 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.17 2dcy n ALA 165 Cb 0.48 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.04 2dcy n ALA 165 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2dcy s TYR 166 N 0.30 2.66 -0.21 0.00 -0.85 -1.17 -0.56 117.35 117.51 2dcy s TYR 166 Ca 0.00 1.13 -0.04 0.00 -0.52 0.00 0.00 57.07 57.64 2dcy s TYR 166 Cb 0.00 -3.17 0.11 0.00 0.38 0.00 0.00 41.96 39.28 2dcy s TYR 166 CO 0.00 -2.02 0.32 -1.14 -1.52 0.00 0.00 175.55 171.19 2dcy s GLN 167 N -5.12 0.28 0.16 -3.49 0.74 -0.43 -3.32 119.66 108.47 2dcy s GLN 167 Ca 0.62 0.51 0.04 0.00 0.05 0.00 0.00 55.36 56.58 2dcy s GLN 167 Cb -0.15 -0.57 -0.05 0.00 1.10 0.00 0.00 33.01 33.35 2dcy s GLN 167 CO 0.55 -0.57 -0.07 0.14 -0.55 0.00 0.00 175.29 174.78 2dcy s VAL 168 N 2.47 1.06 -0.36 1.34 -7.23 0.12 -0.58 120.40 117.21 2dcy s VAL 168 Ca 0.08 -2.04 -0.15 0.00 -1.81 0.00 0.00 61.98 58.07 2dcy s VAL 168 Cb -0.15 -1.93 -0.00 0.00 0.56 0.00 0.00 36.38 34.85 2dcy s VAL 168 CO -0.14 -0.67 0.33 -0.32 -0.31 0.00 0.00 175.10 174.00 2dcy s MET 169 N -3.79 3.38 0.24 4.82 1.75 -0.33 -0.51 119.30 124.86 2dcy s MET 169 Ca 0.19 -0.63 0.12 0.00 -1.25 0.00 0.00 55.69 54.11 2dcy s MET 169 Cb 0.04 -3.86 -0.05 0.00 2.84 0.00 0.00 34.83 33.80 2dcy s MET 169 CO 0.02 -0.59 -0.22 0.00 -0.65 0.00 0.00 175.02 173.58 2dcy s ALA 170 N 1.90 2.63 -0.29 4.11 0.00 0.10 -3.03 121.76 127.19 2dcy s ALA 170 Ca 0.09 -1.76 -0.09 0.00 0.00 0.00 0.00 51.96 50.20 2dcy s ALA 170 Cb -0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 2dcy s ALA 170 CO 0.11 0.35 0.13 0.99 0.00 0.00 0.00 175.76 177.34 2dcy s THR 171 N -2.12 4.60 -0.07 0.00 2.01 0.52 -1.02 115.64 119.55 2dcy s THR 171 Ca 0.25 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.99 2dcy s THR 171 Cb -0.06 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 2dcy s THR 171 CO 0.12 0.18 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.47 2dcy s GLU 172 N 1.63 2.83 0.16 4.92 2.12 -0.52 -0.82 118.70 129.02 2dcy s GLU 172 Ca 0.05 -0.52 0.02 0.00 0.36 0.00 0.00 54.97 54.88 2dcy s GLU 172 Cb -0.16 -2.64 -0.05 0.00 0.26 0.00 0.00 34.13 31.54 2dcy s GLU 172 CO 0.06 0.65 -0.02 0.20 -0.54 0.00 0.00 175.26 175.61 2dcy s GLY 173 N -0.77 1.12 -0.14 -1.50 0.00 -0.59 0.23 107.32 105.67 2dcy s GLY 173 Ca 0.12 -1.54 -0.09 0.00 0.00 0.00 0.00 44.72 43.22 2dcy s GLY 173 CO 0.02 -1.53 0.35 -0.47 0.00 0.00 0.00 173.10 171.47 2dcy s TYR 174 N -3.61 -0.48 -1.38 1.90 5.04 -0.56 -2.16 117.35 116.11 2dcy s TYR 174 Ca 0.21 1.08 -0.00 0.00 -2.44 0.00 0.00 57.07 55.91 2dcy s TYR 174 Cb 0.05 0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.54 2dcy s TYR 174 CO 0.02 -0.28 0.51 1.04 -1.34 0.00 0.00 175.55 175.50 2dcy n GLN 175 N 4.01 -3.81 -3.94 4.97 6.02 -0.40 -3.96 117.38 120.27 2dcy n GLN 175 Ca -0.22 0.47 -0.10 0.00 -0.01 0.00 0.00 57.00 57.14 2dcy n GLN 175 Cb 0.55 -4.74 -0.02 0.00 1.02 0.00 0.00 30.24 27.05 2dcy n GLN 175 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2dcy s SER 176 N -4.36 0.21 0.24 1.08 1.04 -1.25 -4.43 113.70 106.23 2dcy s SER 176 Ca 0.01 -1.13 0.06 0.00 0.48 0.00 0.00 55.95 55.37 2dcy s SER 176 Cb -0.01 0.73 -0.05 0.00 0.10 0.00 0.00 66.02 66.79 2dcy s SER 176 CO 0.86 -1.42 -0.07 -0.44 0.98 0.00 0.00 173.24 173.15 2dcy s SER 177 N -3.09 2.44 0.00 7.02 0.01 -0.82 -0.67 113.70 118.60 2dcy s SER 177 Ca 0.21 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2dcy s SER 177 Cb -0.03 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.09 2dcy s SER 177 CO 0.13 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2dcy n GLY 178 N -0.47 -1.58 2.96 3.44 0.00 -0.31 0.70 105.19 109.93 2dcy n GLY 178 Ca -0.06 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 2dcy n GLY 178 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dcy s SER 179 N -3.14 -0.01 0.04 1.61 0.01 -0.64 -1.08 113.70 110.49 2dcy s SER 179 Ca 0.00 0.00 -0.06 0.00 1.31 0.00 0.00 55.95 57.20 2dcy s SER 179 Cb 0.00 0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.35 2dcy s SER 179 CO 0.00 -0.09 0.11 -0.94 0.41 0.00 0.00 173.24 172.73 2dcy s SER 180 N -0.31 0.17 -0.10 2.44 1.04 0.01 0.16 113.70 117.10 2dcy s SER 180 Ca -0.04 -0.53 -0.04 0.00 0.48 0.00 0.00 55.95 55.82 2dcy s SER 180 Cb -0.02 0.24 0.05 0.00 0.10 0.00 0.00 66.02 66.39 2dcy s SER 180 CO 0.00 -0.53 0.21 0.21 0.98 0.00 0.00 173.24 174.11 2dcy s ASN 181 N -2.17 0.33 -0.01 7.02 3.84 0.18 -0.54 114.94 123.59 2dcy s ASN 181 Ca -0.04 0.45 0.00 0.00 0.21 0.00 0.00 52.86 53.48 2dcy s ASN 181 Cb -0.01 0.43 0.01 0.00 -0.55 0.00 0.00 41.25 41.13 2dcy s ASN 181 CO -0.05 -0.22 -0.00 -0.69 -2.79 0.00 0.00 177.10 173.35 2dcy s VAL 182 N 2.02 0.06 -0.13 -5.21 1.01 -0.08 -0.87 120.40 117.20 2dcy s VAL 182 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 2dcy s VAL 182 Cb -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 2dcy s VAL 182 CO -0.07 0.05 -0.10 -0.89 0.00 0.00 0.00 175.10 174.08 2dcy s THR 183 N 0.27 3.31 0.03 3.92 2.01 0.41 -0.71 115.64 124.87 2dcy s THR 183 Ca -0.02 -0.58 0.08 0.00 0.31 0.00 0.00 61.69 61.48 2dcy s THR 183 Cb -0.04 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 2dcy s THR 183 CO -0.01 0.52 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.53 2dcy s VAL 184 N 0.23 2.46 0.00 3.82 1.01 0.41 -0.64 120.40 127.69 2dcy s VAL 184 Ca -0.07 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.68 2dcy s VAL 184 Cb -0.15 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.25 2dcy s VAL 184 CO 0.04 0.39 0.00 -2.67 0.00 0.00 0.00 175.10 172.87