#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 6.90 0.60 0.00 0.01 -1.26 -4.49 113.70 115.45 2dcy s SER 2 Ca 0.00 2.42 -0.13 0.00 1.31 0.00 0.00 55.95 59.55 2dcy s SER 2 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 2dcy s SER 2 CO 0.00 -0.52 1.02 0.42 0.41 0.00 0.00 173.24 174.58 2dcy s THR 3 N -0.01 4.40 0.00 1.44 -4.23 -1.26 -4.99 115.64 110.98 2dcy s THR 3 Ca 0.56 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 62.01 2dcy s THR 3 Cb -0.37 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 69.81 2dcy s THR 3 CO 0.39 -0.86 0.47 -0.90 -0.54 0.00 0.00 174.62 173.19 2dcy n ASP 4 N -2.33 0.19 -3.99 3.99 5.68 0.36 -4.97 116.55 115.48 2dcy n ASP 4 Ca 0.07 -1.09 -0.19 0.00 -0.50 0.00 0.00 54.79 53.08 2dcy n ASP 4 Cb 0.54 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.37 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 -0.09 0.82 -0.22 2.11 5.04 -0.28 -4.63 117.35 120.10 2dcy s TYR 5 Ca 0.00 -0.19 -0.01 0.00 -2.44 0.00 0.00 57.07 54.43 2dcy s TYR 5 Cb 0.00 -0.58 0.02 0.00 0.35 0.00 0.00 41.96 41.75 2dcy s TYR 5 CO 0.00 -0.07 -0.10 -0.46 -1.34 0.00 0.00 175.55 173.58 2dcy s TRP 6 N 0.10 2.96 -0.23 4.97 -0.00 -1.26 -1.72 118.94 123.76 2dcy s TRP 6 Ca -0.01 -1.48 -0.11 0.00 -0.00 0.00 0.00 56.10 54.51 2dcy s TRP 6 Cb -0.07 -2.02 -0.05 0.00 -0.00 0.00 0.00 33.47 31.33 2dcy s TRP 6 CO 0.00 -0.72 0.16 -1.14 -0.00 0.00 0.00 176.95 175.25 2dcy s GLN 7 N 1.34 4.11 -0.33 5.86 2.00 0.44 -4.98 119.66 128.10 2dcy s GLN 7 Ca 0.03 -0.24 0.05 0.00 -2.00 0.00 0.00 55.36 53.20 2dcy s GLN 7 Cb -0.15 -3.50 0.18 0.00 0.80 0.00 0.00 33.01 30.34 2dcy s GLN 7 CO -0.07 0.14 0.53 1.21 -0.50 0.00 0.00 175.29 176.59 2dcy s ASN 8 N 0.83 -0.76 -0.00 6.67 3.04 -1.25 -0.81 114.94 122.66 2dcy s ASN 8 Ca 0.08 -0.40 0.01 0.00 0.04 0.00 0.00 52.86 52.59 2dcy s ASN 8 Cb -0.13 1.61 -0.00 0.00 -1.54 0.00 0.00 41.25 41.19 2dcy s ASN 8 CO 0.03 -0.28 -0.04 0.86 -3.04 0.00 0.00 177.10 174.63 2dcy s TRP 9 N 2.35 0.37 0.03 0.43 -0.00 -0.63 -5.02 118.94 116.48 2dcy s TRP 9 Ca 0.12 -0.08 0.01 0.00 -0.00 0.00 0.00 56.10 56.15 2dcy s TRP 9 Cb -0.10 -0.24 -0.02 0.00 -0.00 0.00 0.00 33.47 33.11 2dcy s TRP 9 CO -0.20 -0.01 -0.05 -0.08 -0.00 0.00 0.00 176.95 176.61 2dcy s THR 10 N -0.13 0.34 -2.00 5.86 -1.32 -1.26 -1.03 115.64 116.09 2dcy s THR 10 Ca 0.01 -0.96 0.23 0.00 -1.21 0.00 0.00 61.69 59.76 2dcy s THR 10 Cb -0.02 -0.44 0.65 0.00 -1.51 0.00 0.00 72.50 71.19 2dcy s THR 10 CO -0.00 -0.41 1.87 -0.90 -2.21 0.00 0.00 174.62 172.96 2dcy n ASP 11 N 1.59 0.00 0.00 8.08 5.68 -0.49 -4.88 116.55 126.53 2dcy n ASP 11 Ca -0.23 -1.24 0.00 0.00 -0.50 0.00 0.00 54.79 52.82 2dcy n ASP 11 Cb 0.55 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 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 0.83 1.14 3.72 6.12 0.00 -1.26 -5.00 105.19 110.74 2dcy n GLY 12 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.88 2.46 0.00 -0.02 0.00 -1.26 -4.86 107.32 101.75 2dcy s GLY 13 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 44.72 45.63 2dcy s GLY 13 CO 0.00 2.00 0.00 0.61 0.00 0.00 0.00 173.10 175.71 2dcy n GLY 14 N 2.90 0.73 3.27 0.20 0.00 -1.24 -2.40 105.19 108.65 2dcy n GLY 14 Ca 0.08 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 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 2.74 -0.25 -0.61 1.01 -0.61 -4.94 121.20 118.55 2dcy s ILE 15 Ca 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.92 2dcy s ILE 15 Cb 0.00 -2.17 0.06 0.00 0.01 0.00 0.00 42.46 40.36 2dcy s ILE 15 CO 0.00 0.50 -0.05 -0.69 0.00 0.00 0.00 174.94 174.71 2dcy s VAL 16 N 0.92 1.61 -0.59 2.92 1.01 -1.26 -0.36 120.40 124.65 2dcy s VAL 16 Ca -0.03 -1.33 -0.14 0.00 0.00 0.00 0.00 61.98 60.48 2dcy s VAL 16 Cb -0.15 -1.89 0.15 0.00 0.00 0.00 0.00 36.38 34.49 2dcy s VAL 16 CO -0.01 -0.15 0.52 0.20 0.00 0.00 0.00 175.10 175.66 2dcy s ASN 17 N 1.35 6.18 -0.21 3.32 0.01 0.80 -4.99 114.94 121.39 2dcy s ASN 17 Ca -0.05 -2.03 -0.10 0.00 -0.71 0.00 0.00 52.86 49.97 2dcy s ASN 17 Cb -0.19 -2.16 -0.05 0.00 0.41 0.00 0.00 41.25 39.26 2dcy s ASN 17 CO -0.07 -0.75 0.13 0.00 -1.51 0.00 0.00 177.10 174.90 2dcy s ALA 18 N 1.20 3.64 -0.21 0.60 0.00 -1.26 -1.28 121.76 124.45 2dcy s ALA 18 Ca 0.07 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 2dcy s ALA 18 Cb -0.25 -2.17 0.01 0.00 0.00 0.00 0.00 23.12 20.70 2dcy s ALA 18 CO -0.00 0.09 -0.09 0.08 0.00 0.00 0.00 175.76 175.83 2dcy s VAL 19 N 0.50 2.90 -0.81 0.00 1.01 0.28 -5.00 120.40 119.28 2dcy s VAL 19 Ca 0.07 -0.71 -0.23 0.00 0.00 0.00 0.00 61.98 61.12 2dcy s VAL 19 Cb -0.12 -2.32 0.07 0.00 0.00 0.00 0.00 36.38 34.01 2dcy s VAL 19 CO -0.01 0.43 1.17 0.21 0.00 0.00 0.00 175.10 176.90 2dcy s ASN 20 N 1.40 6.34 0.88 3.32 3.04 -1.26 -1.95 114.94 126.71 2dcy s ASN 20 Ca 0.05 -1.20 0.00 0.00 0.04 0.00 0.00 52.86 51.75 2dcy s ASN 20 Cb -0.14 -2.48 0.00 0.00 -1.54 0.00 0.00 41.25 37.09 2dcy s ASN 20 CO -0.06 -1.46 0.00 0.61 -3.04 0.00 0.00 177.10 173.14 2dcy n GLY 21 N 5.71 -1.00 3.83 1.21 0.00 -0.36 -5.00 105.19 109.57 2dcy n GLY 21 Ca 0.12 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 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 6.89 1.81 1.61 0.15 -1.25 -4.62 113.70 117.29 2dcy s SER 22 Ca 0.00 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.73 2dcy s SER 22 Cb 0.00 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2dcy s SER 22 CO 0.00 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.32 2dcy n GLY 23 N 1.57 3.79 1.38 9.45 0.00 -1.26 -1.99 105.19 118.13 2dcy n GLY 23 Ca -0.11 0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 2.58 3.82 -0.02 0.00 -1.26 -4.88 105.19 105.43 2dcy n GLY 24 Ca 0.00 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.99 7.00 0.19 1.61 3.84 -0.84 -1.11 114.94 124.64 2dcy s ASN 25 Ca 0.49 1.42 -0.14 0.00 0.21 0.00 0.00 52.86 54.84 2dcy s ASN 25 Cb 0.27 -2.42 0.01 0.00 -0.55 0.00 0.00 41.25 38.55 2dcy s ASN 25 CO 0.31 -0.05 0.42 -0.72 -2.79 0.00 0.00 177.10 174.27 2dcy s TYR 26 N -1.68 0.12 0.08 0.43 -0.85 -0.22 -1.22 117.35 114.01 2dcy s TYR 26 Ca 0.47 -0.47 -0.05 0.00 -0.52 0.00 0.00 57.07 56.50 2dcy s TYR 26 Cb -0.15 0.20 -0.02 0.00 0.38 0.00 0.00 41.96 42.37 2dcy s TYR 26 CO 0.20 -0.84 0.09 -1.54 -1.52 0.00 0.00 175.55 171.94 2dcy s SER 27 N -2.92 0.29 -0.02 -0.18 1.04 -0.82 -1.43 113.70 109.66 2dcy s SER 27 Ca 0.13 -0.85 -0.00 0.00 0.48 0.00 0.00 55.95 55.71 2dcy s SER 27 Cb 0.01 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.43 2dcy s SER 27 CO -0.01 -0.68 0.03 -0.69 0.98 0.00 0.00 173.24 172.87 2dcy s VAL 28 N -3.90 -0.04 -0.11 5.02 1.01 -0.32 -0.55 120.40 121.50 2dcy s VAL 28 Ca 0.08 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.22 2dcy s VAL 28 Cb 0.06 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.39 2dcy s VAL 28 CO -0.09 0.06 -0.14 0.20 0.00 0.00 0.00 175.10 175.12 2dcy s ASN 29 N 0.74 2.44 0.07 3.32 -0.87 -0.40 -0.65 114.94 119.59 2dcy s ASN 29 Ca -0.06 -0.43 0.02 0.00 -1.57 0.00 0.00 52.86 50.82 2dcy s ASN 29 Cb -0.09 -1.08 -0.03 0.00 -0.02 0.00 0.00 41.25 40.03 2dcy s ASN 29 CO -0.02 -0.00 -0.07 -1.66 -2.57 0.00 0.00 177.10 172.78 2dcy s TRP 30 N 1.10 0.74 -0.09 2.20 -2.14 -0.18 -0.14 118.94 120.43 2dcy s TRP 30 Ca -0.04 -0.73 -0.03 0.00 2.66 0.00 0.00 56.10 57.96 2dcy s TRP 30 Cb -0.14 -0.44 0.05 0.00 -3.10 0.00 0.00 33.47 29.83 2dcy s TRP 30 CO -0.03 -0.14 0.16 0.45 -2.66 0.00 0.00 176.95 174.73 2dcy s SER 31 N -2.32 0.78 -1.28 -2.66 0.15 0.51 -1.35 113.70 107.53 2dcy s SER 31 Ca 0.01 0.31 -0.09 0.00 0.70 0.00 0.00 55.95 56.88 2dcy s SER 31 Cb -0.02 0.28 -0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2dcy s SER 31 CO -0.03 -0.25 0.60 -3.20 1.20 0.00 0.00 173.24 171.57 2dcy n ASN 32 N 5.33 -2.46 -4.94 5.45 5.15 -0.22 -1.57 115.26 122.00 2dcy n ASN 32 Ca -0.05 -1.00 -0.24 0.00 -0.60 0.00 0.00 54.58 52.69 2dcy n ASN 32 Cb 0.50 -3.25 0.05 0.00 -0.53 0.00 0.00 39.78 36.54 2dcy n ASN 32 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2dcy s THR 33 N -3.72 2.80 0.00 -0.44 -4.23 -0.41 -3.64 115.64 105.99 2dcy s THR 33 Ca 0.20 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 2dcy s THR 33 Cb -0.07 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.63 2dcy s THR 33 CO 0.87 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 175.44 2dcy n GLY 34 N -2.63 0.98 3.85 3.99 0.00 -1.01 -1.77 105.19 108.60 2dcy n GLY 34 Ca 0.07 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.00 6.66 0.06 1.61 3.04 -1.26 -2.76 114.94 121.29 2dcy s ASN 35 Ca 0.00 0.78 -0.15 0.00 0.04 0.00 0.00 52.86 53.53 2dcy s ASN 35 Cb 0.00 -2.19 0.03 0.00 -1.54 0.00 0.00 41.25 37.55 2dcy s ASN 35 CO 0.00 0.35 0.34 0.72 -3.04 0.00 0.00 177.10 175.47 2dcy s PHE 36 N -1.02 -0.14 -0.11 0.43 -0.71 -0.93 -1.39 117.98 114.11 2dcy s PHE 36 Ca 0.21 -0.03 -0.04 0.00 -1.04 0.00 0.00 56.93 56.03 2dcy s PHE 36 Cb -0.15 0.15 0.06 0.00 -1.21 0.00 0.00 43.02 41.86 2dcy s PHE 36 CO 0.10 -0.57 0.17 0.08 -1.34 0.00 0.00 175.22 173.66 2dcy s VAL 37 N -2.92 -0.27 -0.02 -2.49 1.01 -0.20 -2.00 120.40 113.51 2dcy s VAL 37 Ca -0.02 0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.24 2dcy s VAL 37 Cb 0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 36.00 2dcy s VAL 37 CO -0.06 0.06 -0.13 -0.69 0.00 0.00 0.00 175.10 174.29 2dcy s VAL 38 N 2.29 1.07 -0.03 2.92 1.01 -0.44 -1.60 120.40 125.62 2dcy s VAL 38 Ca 0.04 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 2dcy s VAL 38 Cb -0.13 -0.92 0.10 0.00 0.00 0.00 0.00 36.38 35.43 2dcy s VAL 38 CO -0.07 0.31 1.30 -0.83 0.00 0.00 0.00 175.10 175.81 2dcy s GLY 39 N -0.04 -0.16 0.09 4.51 0.00 0.01 -0.62 107.32 111.11 2dcy s GLY 39 Ca -0.00 0.10 0.10 0.00 0.00 0.00 0.00 44.72 44.92 2dcy s GLY 39 CO 0.01 5.36 -0.26 0.54 0.00 0.00 0.00 173.10 178.75 2dcy s LYS 40 N -2.04 1.53 0.00 2.90 1.02 -1.18 -0.42 119.74 121.54 2dcy s LYS 40 Ca 0.29 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 55.07 2dcy s LYS 40 Cb 0.00 -1.85 0.00 0.00 -0.52 0.00 0.00 37.83 35.46 2dcy s LYS 40 CO -0.01 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.28 2dcy n GLY 41 N 1.33 -0.63 3.24 -3.33 0.00 -0.70 -1.16 105.19 103.94 2dcy n GLY 41 Ca -0.18 0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.02 1.87 0.24 1.61 0.51 0.19 -0.48 118.94 121.86 2dcy s TRP 42 Ca 0.00 -0.36 -0.05 0.00 -2.12 0.00 0.00 56.10 53.57 2dcy s TRP 42 Cb 0.00 -1.17 0.25 0.00 -0.81 0.00 0.00 33.47 31.75 2dcy s TRP 42 CO 0.00 0.02 1.75 1.15 -0.51 0.00 0.00 176.95 179.36 2dcy h THR 43 N 4.51 1.25 -3.56 2.01 2.02 -1.87 -0.40 112.91 116.87 2dcy h THR 43 Ca -0.41 -0.95 -0.67 0.00 0.77 0.00 0.00 66.41 65.15 2dcy h THR 43 Cb 1.15 0.68 -0.34 0.00 -1.74 0.00 0.00 68.15 67.90 2dcy h THR 43 CO 0.46 0.35 -0.78 -0.89 0.37 0.00 0.00 175.52 175.04 2dcy s THR 44 N -5.17 2.54 0.79 3.16 2.01 -1.26 -2.70 115.64 115.02 2dcy s THR 44 Ca -0.11 -1.22 -0.13 0.00 0.31 0.00 0.00 61.69 60.55 2dcy s THR 44 Cb 0.15 -2.33 0.07 0.00 0.01 0.00 0.00 72.50 70.40 2dcy s THR 44 CO 0.83 0.16 1.16 -0.83 -0.69 0.00 0.00 174.62 175.25 2dcy s GLY 45 N 1.25 2.01 0.03 4.40 0.00 0.54 -4.85 107.32 110.69 2dcy s GLY 45 Ca -0.02 0.66 0.03 0.00 0.00 0.00 0.00 44.72 45.39 2dcy s GLY 45 CO -0.06 1.05 -0.10 -0.45 0.00 0.00 0.00 173.10 173.55 2dcy s SER 46 N -2.51 1.14 0.00 1.64 0.15 -1.26 -4.82 113.70 108.03 2dcy s SER 46 Ca 0.69 -0.41 0.23 0.00 0.70 0.00 0.00 55.95 57.17 2dcy s SER 46 Cb -0.24 -0.05 1.17 0.00 -1.71 0.00 0.00 66.02 65.19 2dcy s SER 46 CO 0.51 -0.04 1.76 -0.81 1.20 0.00 0.00 173.24 175.85 2dcy n PRO 47 N 1.98 0.33 -0.00 5.44 -0.04 -1.26 -3.19 135.00 138.26 2dcy n PRO 47 Ca -0.19 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.42 2dcy n PRO 47 Cb 0.55 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.29 0.00 -2.50 0.54 3.72 -1.26 -3.51 117.46 113.16 2dcy n PHE 48 Ca 0.11 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.10 2dcy n PHE 48 Cb 0.18 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.68 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 -2.47 4.57 -0.28 -1.08 3.52 -1.19 -4.52 118.95 117.48 2dcy s ARG 49 Ca 0.06 1.73 -0.15 0.00 -0.13 0.00 0.00 55.73 57.23 2dcy s ARG 49 Cb 0.12 -3.28 -0.03 0.00 -1.56 0.00 0.00 34.95 30.19 2dcy s ARG 49 CO 0.64 0.03 0.38 0.99 -0.81 0.00 0.00 175.30 176.54 2dcy s THR 50 N -0.09 5.16 -0.25 4.11 2.01 -1.26 -2.20 115.64 123.12 2dcy s THR 50 Ca 0.50 0.49 -0.16 0.00 0.31 0.00 0.00 61.69 62.84 2dcy s THR 50 Cb -0.29 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 2dcy s THR 50 CO 0.34 0.10 0.42 -0.63 -0.69 0.00 0.00 174.62 174.16 2dcy s ILE 51 N 2.09 5.15 -0.07 1.82 1.09 0.19 -4.94 121.20 126.54 2dcy s ILE 51 Ca 0.15 0.70 -0.11 0.00 -1.10 0.00 0.00 60.65 60.28 2dcy s ILE 51 Cb -0.16 -3.74 -0.05 0.00 -1.06 0.00 0.00 42.46 37.45 2dcy s ILE 51 CO 0.10 0.16 0.28 0.20 -0.10 0.00 0.00 174.94 175.59 2dcy s ASN 52 N 1.44 6.59 0.14 3.58 0.01 0.08 -0.26 114.94 126.52 2dcy s ASN 52 Ca 0.18 0.70 -0.12 0.00 -0.71 0.00 0.00 52.86 52.91 2dcy s ASN 52 Cb -0.15 -2.17 0.01 0.00 0.41 0.00 0.00 41.25 39.35 2dcy s ASN 52 CO 0.09 0.34 0.33 -0.72 -1.51 0.00 0.00 177.10 175.63 2dcy s TYR 53 N -0.88 0.11 -0.15 2.20 1.13 0.14 -1.10 117.35 118.79 2dcy s TYR 53 Ca 0.19 -0.47 -0.05 0.00 -1.41 0.00 0.00 57.07 55.33 2dcy s TYR 53 Cb -0.14 0.10 0.06 0.00 -1.10 0.00 0.00 41.96 40.87 2dcy s TYR 53 CO 0.08 -0.71 0.09 1.21 -2.51 0.00 0.00 175.55 173.71 2dcy s ASN 54 N -2.89 2.17 -0.78 -0.18 3.84 -0.13 -0.32 114.94 116.66 2dcy s ASN 54 Ca 0.09 -0.51 -0.19 0.00 0.21 0.00 0.00 52.86 52.46 2dcy s ASN 54 Cb 0.03 -0.22 0.12 0.00 -0.55 0.00 0.00 41.25 40.62 2dcy s ASN 54 CO -0.06 -0.34 0.96 0.00 -2.79 0.00 0.00 177.10 174.88 2dcy s ALA 55 N 2.15 3.38 0.40 1.71 0.00 -1.26 -1.07 121.76 127.06 2dcy s ALA 55 Ca 0.02 -2.47 0.11 0.00 0.00 0.00 0.00 51.96 49.62 2dcy s ALA 55 Cb -0.15 -3.84 0.82 0.00 0.00 0.00 0.00 23.12 19.94 2dcy s ALA 55 CO -0.08 -2.74 1.93 0.78 0.00 0.00 0.00 175.76 175.65 2dcy h GLY 56 N 10.33 0.20 -6.46 0.00 0.00 -1.31 -2.10 103.07 103.73 2dcy h GLY 56 Ca -0.06 -0.12 -0.49 0.00 0.00 0.00 0.00 47.33 46.67 2dcy h GLY 56 CO 1.09 0.11 -0.79 0.14 0.00 0.00 0.00 176.54 177.10 2dcy s VAL 57 N -4.69 0.84 -0.33 4.60 1.01 -1.00 -4.82 120.40 116.01 2dcy s VAL 57 Ca -0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 2dcy s VAL 57 Cb 0.15 -0.86 0.11 0.00 0.00 0.00 0.00 36.38 35.78 2dcy s VAL 57 CO 0.73 0.32 0.14 0.86 0.00 0.00 0.00 175.10 177.14 2dcy s TRP 58 N 1.37 1.45 -0.40 5.22 -0.11 -1.26 -1.13 118.94 124.07 2dcy s TRP 58 Ca -0.03 -1.71 0.10 0.00 1.22 0.00 0.00 56.10 55.69 2dcy s TRP 58 Cb -0.14 -1.55 0.32 0.00 -1.50 0.00 0.00 33.47 30.61 2dcy s TRP 58 CO -0.03 -0.85 0.71 0.00 -4.62 0.00 0.00 176.95 172.15 2dcy n ALA 59 N 4.62 2.42 -1.76 5.86 0.00 0.02 -5.03 120.51 126.63 2dcy n ALA 59 Ca 0.00 -3.57 -0.40 0.00 0.00 0.00 0.00 53.44 49.47 2dcy n ALA 59 Cb 0.40 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 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 -2.26 4.46 -0.68 0.00 0.04 -1.26 -2.00 135.00 133.29 2dcy s PRO 60 Ca 0.40 1.88 0.04 0.00 0.04 0.00 0.00 61.00 63.35 2dcy s PRO 60 Cb 0.30 -3.04 0.17 0.00 0.04 0.00 0.00 34.50 31.96 2dcy s PRO 60 CO -0.09 0.02 0.48 1.21 0.04 0.00 0.00 177.00 178.66 2dcy s ASN 61 N -0.88 4.87 0.00 6.66 3.04 0.88 -4.91 114.94 124.61 2dcy s ASN 61 Ca 0.48 -3.63 0.00 0.00 0.04 0.00 0.00 52.86 49.75 2dcy s ASN 61 Cb -0.33 -1.68 0.00 0.00 -1.54 0.00 0.00 41.25 37.70 2dcy s ASN 61 CO 0.42 -0.14 0.00 0.61 -3.04 0.00 0.00 177.10 174.96 2dcy n GLY 62 N 2.31 0.21 3.62 1.21 0.00 -1.26 -2.38 105.19 108.89 2dcy n GLY 62 Ca 0.16 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 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 6.68 0.02 1.61 2.47 -1.26 -1.71 114.94 118.75 2dcy s ASN 63 Ca 0.00 0.84 -0.07 0.00 0.42 0.00 0.00 52.86 54.05 2dcy s ASN 63 Cb 0.00 -2.54 -0.00 0.00 -1.45 0.00 0.00 41.25 37.25 2dcy s ASN 63 CO 0.00 -1.14 0.13 -0.83 -3.72 0.00 0.00 177.10 171.53 2dcy s GLY 64 N 2.53 0.10 -0.01 1.21 0.00 -1.26 -1.83 107.32 108.06 2dcy s GLY 64 Ca 0.51 -0.33 0.07 0.00 0.00 0.00 0.00 44.72 44.97 2dcy s GLY 64 CO 0.26 -0.47 -0.22 -0.19 0.00 0.00 0.00 173.10 172.47 2dcy s TYR 65 N -2.04 1.98 -0.38 1.90 2.02 0.11 -1.25 117.35 119.69 2dcy s TYR 65 Ca -0.10 -0.38 -0.09 0.00 -0.37 0.00 0.00 57.07 56.14 2dcy s TYR 65 Cb -0.04 -1.27 0.05 0.00 -0.40 0.00 0.00 41.96 40.30 2dcy s TYR 65 CO -0.02 -0.02 0.20 -1.17 -1.57 0.00 0.00 175.55 172.97 2dcy s LEU 66 N -0.58 4.78 -0.22 -1.29 2.96 -0.34 -1.25 118.68 122.74 2dcy s LEU 66 Ca 0.09 -1.26 -0.19 0.00 -0.22 0.00 0.00 54.13 52.55 2dcy s LEU 66 Cb -0.09 -1.96 0.06 0.00 0.50 0.00 0.00 46.19 44.70 2dcy s LEU 66 CO -0.01 -0.43 0.58 0.28 -1.32 0.00 0.00 176.35 175.45 2dcy s THR 67 N 1.45 -0.00 0.40 3.68 -1.32 -0.55 -0.93 115.64 118.37 2dcy s THR 67 Ca 0.01 0.01 -0.27 0.00 -1.21 0.00 0.00 61.69 60.23 2dcy s THR 67 Cb -0.21 -0.82 -0.10 0.00 -1.51 0.00 0.00 72.50 69.87 2dcy s THR 67 CO 0.04 0.00 1.44 -0.22 -2.21 0.00 0.00 174.62 173.67 2dcy s LEU 68 N 0.57 4.25 -0.12 9.08 2.96 0.14 -0.17 118.68 135.39 2dcy s LEU 68 Ca -0.02 2.95 -0.08 0.00 -0.22 0.00 0.00 54.13 56.76 2dcy s LEU 68 Cb -0.05 -3.77 0.04 0.00 0.50 0.00 0.00 46.19 42.91 2dcy s LEU 68 CO -0.03 -0.94 0.29 -0.47 -1.32 0.00 0.00 176.35 173.88 2dcy s TYR 69 N -1.16 -0.37 0.10 5.38 5.04 0.42 -1.58 117.35 125.17 2dcy s TYR 69 Ca 0.55 0.87 -0.19 0.00 -2.44 0.00 0.00 57.07 55.87 2dcy s TYR 69 Cb -0.44 0.11 0.06 0.00 0.35 0.00 0.00 41.96 42.04 2dcy s TYR 69 CO 0.59 -0.22 0.88 0.41 -1.34 0.00 0.00 175.55 175.87 2dcy n GLY 70 N 3.76 0.61 3.09 8.97 0.00 -0.72 -0.79 105.19 120.10 2dcy n GLY 70 Ca -0.20 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.70 0.70 0.27 1.61 0.52 -1.02 -0.78 118.94 117.54 2dcy s TRP 71 Ca 0.20 -0.67 0.09 0.00 0.02 0.00 0.00 56.10 55.74 2dcy s TRP 71 Cb -0.02 -0.42 -0.05 0.00 -1.15 0.00 0.00 33.47 31.83 2dcy s TRP 71 CO 0.03 -0.13 -0.13 0.95 0.02 0.00 0.00 176.95 177.69 2dcy s THR 72 N -2.27 1.98 0.30 2.01 -4.23 -0.44 -1.74 115.64 111.25 2dcy s THR 72 Ca -0.02 -2.24 0.10 0.00 -1.18 0.00 0.00 61.69 58.35 2dcy s THR 72 Cb -0.04 -2.32 -0.05 0.00 1.34 0.00 0.00 72.50 71.43 2dcy s THR 72 CO -0.02 -0.40 -0.05 -0.13 -0.54 0.00 0.00 174.62 173.48 2dcy s ARG 73 N -3.63 2.04 -0.97 3.99 0.52 0.71 -1.09 118.95 120.52 2dcy s ARG 73 Ca 0.28 -1.63 -0.04 0.00 -0.52 0.00 0.00 55.73 53.82 2dcy s ARG 73 Cb -0.00 -1.97 -0.05 0.00 0.52 0.00 0.00 34.95 33.46 2dcy s ARG 73 CO 0.12 0.27 0.84 0.43 0.02 0.00 0.00 175.30 176.99 2dcy n SER 74 N -0.84 -5.04 -4.92 0.23 7.64 -1.26 -1.62 113.62 107.81 2dcy n SER 74 Ca -0.05 -0.61 -0.22 0.00 1.01 0.00 0.00 58.87 58.99 2dcy n SER 74 Cb 0.60 -4.70 0.05 0.00 -1.01 0.00 0.00 64.21 59.16 2dcy n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2dcy s PRO 75 N -4.51 2.34 -0.16 1.43 0.04 -1.26 -2.06 135.00 130.83 2dcy s PRO 75 Ca 0.30 -0.73 -0.29 0.00 0.04 0.00 0.00 61.00 60.32 2dcy s PRO 75 Cb -0.04 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 2dcy s PRO 75 CO 0.66 -0.93 1.65 -1.17 0.04 0.00 0.00 177.00 177.25 2dcy s LEU 76 N -4.91 4.03 -0.03 -3.56 2.96 -1.26 -3.85 118.68 112.07 2dcy s LEU 76 Ca 0.59 1.85 0.01 0.00 -0.22 0.00 0.00 54.13 56.36 2dcy s LEU 76 Cb -0.10 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.08 2dcy s LEU 76 CO 0.40 -1.16 -0.02 -0.63 -1.32 0.00 0.00 176.35 173.62 2dcy s ILE 77 N 4.88 0.31 -0.19 6.68 -1.09 -0.25 -3.31 121.20 128.24 2dcy s ILE 77 Ca 0.73 -0.03 -0.08 0.00 -2.23 0.00 0.00 60.65 59.03 2dcy s ILE 77 Cb -0.28 -0.36 -0.04 0.00 -1.58 0.00 0.00 42.46 40.20 2dcy s ILE 77 CO 0.29 0.16 0.08 -0.70 -1.23 0.00 0.00 174.94 173.54 2dcy s GLU 78 N 0.73 4.04 0.08 2.79 2.12 -0.76 -1.33 118.70 126.38 2dcy s GLU 78 Ca -0.08 -0.30 0.03 0.00 0.36 0.00 0.00 54.97 54.98 2dcy s GLU 78 Cb -0.11 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 2dcy s GLU 78 CO -0.01 0.28 -0.10 1.52 -0.54 0.00 0.00 175.26 176.41 2dcy s TYR 79 N 0.38 0.98 0.00 5.30 -0.85 0.04 -0.74 117.35 122.47 2dcy s TYR 79 Ca 0.05 -0.63 0.01 0.00 -0.52 0.00 0.00 57.07 55.97 2dcy s TYR 79 Cb -0.12 -0.55 -0.00 0.00 0.38 0.00 0.00 41.96 41.67 2dcy s TYR 79 CO -0.00 -0.03 -0.02 0.71 -1.52 0.00 0.00 175.55 174.68 2dcy s TYR 80 N -2.22 0.20 -0.31 -3.49 1.51 -0.32 -1.76 117.35 110.96 2dcy s TYR 80 Ca 0.02 -0.10 0.03 0.00 -1.01 0.00 0.00 57.07 56.01 2dcy s TYR 80 Cb -0.04 -0.13 0.09 0.00 -0.11 0.00 0.00 41.96 41.77 2dcy s TYR 80 CO -0.00 -0.02 0.02 0.08 -1.11 0.00 0.00 175.55 174.51 2dcy s VAL 81 N -0.24 1.97 -0.32 0.71 1.01 -0.62 -0.98 120.40 121.93 2dcy s VAL 81 Ca -0.01 -1.97 -0.17 0.00 0.00 0.00 0.00 61.98 59.83 2dcy s VAL 81 Cb -0.02 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 2dcy s VAL 81 CO -0.00 -0.47 0.47 -0.69 0.00 0.00 0.00 175.10 174.41 2dcy s VAL 82 N 1.10 5.07 -0.17 2.92 1.01 0.28 -0.69 120.40 129.93 2dcy s VAL 82 Ca 0.06 0.43 0.05 0.00 0.00 0.00 0.00 61.98 62.52 2dcy s VAL 82 Cb -0.19 -3.87 -0.23 0.00 0.00 0.00 0.00 36.38 32.09 2dcy s VAL 82 CO -0.10 -0.08 0.18 0.47 0.00 0.00 0.00 175.10 175.57 2dcy n ASP 83 N 5.59 1.34 -3.71 3.32 8.00 -0.10 -1.38 116.55 129.61 2dcy n ASP 83 Ca -0.06 0.10 -0.12 0.00 0.71 0.00 0.00 54.79 55.42 2dcy n ASP 83 Cb 0.49 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.40 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 -6.34 0.40 0.10 -2.24 0.15 -1.05 -0.55 113.70 104.18 2dcy s SER 84 Ca -0.20 -1.26 -0.03 0.00 0.70 0.00 0.00 55.95 55.16 2dcy s SER 84 Cb 0.07 0.58 0.01 0.00 -1.71 0.00 0.00 66.02 64.98 2dcy s SER 84 CO 0.74 -1.15 0.19 -2.67 1.20 0.00 0.00 173.24 171.56 2dcy n TRP 85 N -0.44 -1.30 0.00 3.44 2.14 -1.26 -1.20 117.44 118.82 2dcy n TRP 85 Ca 0.00 -0.48 0.00 0.00 2.07 0.00 0.00 57.50 59.09 2dcy n TRP 85 Cb 0.62 0.23 0.00 0.00 -0.81 0.00 0.00 31.31 31.35 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 -0.14 0.71 0.10 -1.67 0.00 -0.38 -4.90 105.19 98.91 2dcy n GLY 86 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -3.92 2.61 -2.24 -0.69 -4.84 114.28 105.20 2dcy n THR 87 Ca 0.00 -0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.49 2dcy n THR 87 Cb 0.00 0.02 -0.17 0.00 -2.10 0.00 0.00 70.33 68.08 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 -2.67 0.93 -0.33 4.78 5.04 -1.26 -4.98 117.35 118.86 2dcy s TYR 88 Ca 0.22 -0.34 -0.16 0.00 -2.44 0.00 0.00 57.07 54.35 2dcy s TYR 88 Cb 0.19 -0.90 -0.02 0.00 0.35 0.00 0.00 41.96 41.59 2dcy s TYR 88 CO 0.54 -0.35 0.40 0.50 -1.34 0.00 0.00 175.55 175.30 2dcy s ARG 89 N 1.62 3.69 0.39 4.97 3.52 -1.26 -4.86 118.95 127.02 2dcy s ARG 89 Ca 0.01 -0.25 -0.25 0.00 -0.13 0.00 0.00 55.73 55.11 2dcy s ARG 89 Cb -0.13 -3.77 -0.09 0.00 -1.56 0.00 0.00 34.95 29.40 2dcy s ARG 89 CO -0.05 -0.49 1.08 -1.25 -0.81 0.00 0.00 175.30 173.79 2dcy s PRO 90 N 2.11 4.19 0.29 5.12 0.04 -1.26 -5.04 135.00 140.44 2dcy s PRO 90 Ca 0.14 1.63 -0.00 0.00 0.04 0.00 0.00 61.00 62.80 2dcy s PRO 90 Cb -0.16 -2.65 -0.02 0.00 0.04 0.00 0.00 34.50 31.71 2dcy s PRO 90 CO 0.12 -0.15 0.33 0.95 0.04 0.00 0.00 177.00 178.29 2dcy s THR 91 N -1.54 0.00 0.00 1.26 -4.23 -1.26 -4.93 115.64 104.95 2dcy s THR 91 Ca 0.56 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 2dcy s THR 91 Cb -0.25 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.08 2dcy s THR 91 CO 0.32 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 2dcy n GLY 92 N -0.48 4.02 3.63 3.99 0.00 -1.26 -5.02 105.19 110.07 2dcy n GLY 92 Ca 0.03 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 0.05 4.64 0.18 2.61 2.01 0.04 -4.83 115.64 120.33 2dcy s THR 93 Ca 0.00 1.54 -0.32 0.00 0.31 0.00 0.00 61.69 63.22 2dcy s THR 93 Cb 0.00 -4.30 -0.11 0.00 0.01 0.00 0.00 72.50 68.11 2dcy s THR 93 CO 0.00 -0.36 1.66 -0.47 -0.69 0.00 0.00 174.62 174.76 2dcy s TYR 94 N 3.32 2.91 -0.08 4.92 5.04 -1.26 -1.70 117.35 130.50 2dcy s TYR 94 Ca 0.40 0.45 0.05 0.00 -2.44 0.00 0.00 57.07 55.52 2dcy s TYR 94 Cb -0.13 -4.04 -0.08 0.00 0.35 0.00 0.00 41.96 38.06 2dcy s TYR 94 CO 0.13 -3.93 -0.01 1.63 -1.34 0.00 0.00 175.55 172.03 2dcy n LYS 95 N 4.16 1.96 -3.73 4.97 4.76 0.31 -4.95 118.16 125.65 2dcy n LYS 95 Ca 0.15 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 2dcy n LYS 95 Cb 0.37 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 2dcy n LYS 95 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dcy n GLY 96 N 2.72 -0.67 3.17 0.72 0.00 -1.21 -5.00 105.19 104.91 2dcy n GLY 96 Ca -0.13 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 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 0.77 0.00 2.61 -4.23 -1.26 -0.23 115.64 110.30 2dcy s THR 97 Ca 0.00 -1.80 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 2dcy s THR 97 Cb 0.00 -1.52 -0.00 0.00 1.34 0.00 0.00 72.50 72.32 2dcy s THR 97 CO 0.00 -0.75 -0.02 0.54 -0.54 0.00 0.00 174.62 173.85 2dcy s VAL 98 N -3.13 0.15 -0.20 2.29 0.11 -0.22 -4.92 120.40 114.47 2dcy s VAL 98 Ca 0.09 -0.15 -0.10 0.00 -2.93 0.00 0.00 61.98 58.88 2dcy s VAL 98 Cb 0.02 -0.14 -0.05 0.00 -1.53 0.00 0.00 36.38 34.67 2dcy s VAL 98 CO -0.03 -0.01 0.14 -0.54 -3.33 0.00 0.00 175.10 171.33 2dcy s LYS 99 N -0.17 4.18 -0.17 1.54 1.02 -1.26 -0.73 119.74 124.15 2dcy s LYS 99 Ca -0.01 -0.22 -0.20 0.00 0.02 0.00 0.00 55.97 55.56 2dcy s LYS 99 Cb -0.01 -3.43 0.05 0.00 -0.52 0.00 0.00 37.83 33.91 2dcy s LYS 99 CO -0.00 0.27 0.54 0.45 -0.92 0.00 0.00 175.35 175.69 2dcy s SER 100 N 0.45 -0.55 -1.47 2.83 0.15 -0.51 -4.99 113.70 109.61 2dcy s SER 100 Ca 0.08 0.95 -0.09 0.00 0.70 0.00 0.00 55.95 57.59 2dcy s SER 100 Cb -0.11 0.96 0.06 0.00 -1.71 0.00 0.00 66.02 65.22 2dcy s SER 100 CO -0.01 -0.28 0.82 0.47 1.20 0.00 0.00 173.24 175.45 2dcy n ASP 101 N 2.37 -3.14 0.00 5.45 8.00 -1.26 -1.42 116.55 126.56 2dcy n ASP 101 Ca -0.15 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.51 2dcy n ASP 101 Cb 0.56 -3.75 0.00 0.00 -0.02 0.00 0.00 41.12 37.91 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 -1.67 0.44 3.51 0.44 0.00 -1.26 -4.95 105.19 101.71 2dcy n GLY 102 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 2.22 -0.11 -0.02 0.00 -0.50 -5.13 107.32 101.77 2dcy s GLY 103 Ca 0.00 -2.14 0.01 0.00 0.00 0.00 0.00 44.72 42.58 2dcy s GLY 103 CO 0.00 -1.92 -0.13 -1.59 0.00 0.00 0.00 173.10 169.46 2dcy s THR 104 N -3.08 3.04 -0.07 0.90 2.01 -1.26 -1.42 115.64 115.77 2dcy s THR 104 Ca 0.36 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.73 2dcy s THR 104 Cb 0.09 -2.26 -0.01 0.00 0.01 0.00 0.00 72.50 70.33 2dcy s THR 104 CO 0.16 0.54 -0.22 -0.31 -0.69 0.00 0.00 174.62 174.11 2dcy s TYR 105 N 0.11 2.53 0.25 4.92 1.51 0.09 -0.72 117.35 126.05 2dcy s TYR 105 Ca -0.06 -0.62 -0.27 0.00 -1.01 0.00 0.00 57.07 55.11 2dcy s TYR 105 Cb -0.15 -1.63 -0.09 0.00 -0.11 0.00 0.00 41.96 39.98 2dcy s TYR 105 CO 0.05 -0.15 0.90 -0.51 -1.11 0.00 0.00 175.55 174.73 2dcy s ASP 106 N -0.20 7.48 -0.19 2.29 1.01 -0.03 -1.06 116.67 125.97 2dcy s ASP 106 Ca -0.02 1.83 -0.07 0.00 0.71 0.00 0.00 52.55 55.00 2dcy s ASP 106 Cb -0.13 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 2dcy s ASP 106 CO 0.03 0.10 0.06 -0.63 0.21 0.00 0.00 175.17 174.95 2dcy s ILE 107 N -1.31 4.70 0.10 0.77 1.01 0.68 -0.47 121.20 126.68 2dcy s ILE 107 Ca 0.43 -0.06 0.04 0.00 0.00 0.00 0.00 60.65 61.05 2dcy s ILE 107 Cb -0.23 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 2dcy s ILE 107 CO 0.28 0.44 -0.10 -0.31 0.00 0.00 0.00 174.94 175.25 2dcy s TYR 108 N 0.54 1.07 0.03 3.97 2.02 -0.10 -0.53 117.35 124.36 2dcy s TYR 108 Ca 0.03 -0.66 0.05 0.00 -0.37 0.00 0.00 57.07 56.12 2dcy s TYR 108 Cb -0.13 -0.59 -0.02 0.00 -0.40 0.00 0.00 41.96 40.83 2dcy s TYR 108 CO 0.01 0.00 -0.16 0.95 -1.57 0.00 0.00 175.55 174.79 2dcy s THR 109 N -2.48 1.26 -0.03 -0.71 -4.23 -0.69 -0.89 115.64 107.88 2dcy s THR 109 Ca 0.06 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 2dcy s THR 109 Cb -0.03 -1.11 0.02 0.00 1.34 0.00 0.00 72.50 72.73 2dcy s THR 109 CO 0.00 0.13 -0.02 -0.89 -0.54 0.00 0.00 174.62 173.30 2dcy s THR 110 N -0.72 0.27 -0.08 3.99 2.01 -0.85 -0.78 115.64 119.48 2dcy s THR 110 Ca 0.04 -0.01 -0.22 0.00 0.31 0.00 0.00 61.69 61.80 2dcy s THR 110 Cb -0.08 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 2dcy s THR 110 CO 0.01 0.15 0.64 -0.89 -0.69 0.00 0.00 174.62 173.84 2dcy s THR 111 N 0.73 5.08 -0.21 -0.82 2.01 -1.26 -0.20 115.64 120.96 2dcy s THR 111 Ca -0.08 1.31 -0.05 0.00 0.31 0.00 0.00 61.69 63.18 2dcy s THR 111 Cb -0.11 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.39 2dcy s THR 111 CO -0.01 0.26 0.01 -0.13 -0.69 0.00 0.00 174.62 174.07 2dcy s ARG 112 N 0.81 3.60 -0.10 4.92 1.81 -0.21 -4.99 118.95 124.78 2dcy s ARG 112 Ca 0.34 -0.52 -0.01 0.00 -1.72 0.00 0.00 55.73 53.82 2dcy s ARG 112 Cb -0.17 -3.13 -0.03 0.00 -0.45 0.00 0.00 34.95 31.17 2dcy s ARG 112 CO 0.16 -0.06 -0.06 0.71 -0.68 0.00 0.00 175.30 175.37 2dcy s TYR 113 N 1.20 2.96 -1.42 -0.53 2.02 -1.26 -1.96 117.35 118.36 2dcy s TYR 113 Ca 0.03 -0.15 -0.06 0.00 -0.37 0.00 0.00 57.07 56.53 2dcy s TYR 113 Cb -0.15 -1.81 0.01 0.00 -0.40 0.00 0.00 41.96 39.61 2dcy s TYR 113 CO 0.01 0.16 0.31 0.09 -1.57 0.00 0.00 175.55 174.55 2dcy n ASN 114 N 2.80 -0.65 -4.35 2.29 3.02 -1.05 -4.94 115.26 112.38 2dcy n ASN 114 Ca -0.18 -1.16 -0.19 0.00 -0.03 0.00 0.00 54.58 53.03 2dcy n ASN 114 Cb 0.53 -2.30 -0.10 0.00 -0.61 0.00 0.00 39.78 37.29 2dcy n ASN 114 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dcy s ALA 115 N -4.05 2.02 0.31 5.41 0.00 -0.27 -4.33 121.76 120.86 2dcy s ALA 115 Ca 0.10 -1.65 -0.29 0.00 0.00 0.00 0.00 51.96 50.13 2dcy s ALA 115 Cb -0.05 -0.10 -0.10 0.00 0.00 0.00 0.00 23.12 22.88 2dcy s ALA 115 CO 0.94 0.08 1.19 -1.25 0.00 0.00 0.00 175.76 176.73 2dcy s PRO 116 N -3.56 4.47 0.34 0.00 0.05 -1.26 -1.47 135.00 133.57 2dcy s PRO 116 Ca 0.22 1.98 -0.01 0.00 0.05 0.00 0.00 61.00 63.24 2dcy s PRO 116 Cb -0.01 -3.09 0.00 0.00 0.05 0.00 0.00 34.50 31.45 2dcy s PRO 116 CO 0.07 0.00 0.46 -1.13 0.05 0.00 0.00 177.00 176.46 2dcy n SER 117 N 0.93 -1.28 0.07 6.66 3.41 0.74 -4.96 113.62 119.18 2dcy n SER 117 Ca -0.00 -2.90 0.05 0.00 -0.26 0.00 0.00 58.87 55.77 2dcy n SER 117 Cb 0.44 2.43 0.27 0.00 -0.26 0.00 0.00 64.21 67.09 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 -0.58 1.48 0.97 -1.33 -5.35 -1.26 -1.84 119.36 111.46 2dcy n ILE 118 Ca 0.01 0.54 0.11 0.00 -0.27 0.00 0.00 62.75 63.15 2dcy n ILE 118 Cb 0.58 -1.52 0.15 0.00 -1.74 0.00 0.00 39.64 37.11 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 -1.82 0.63 0.00 7.28 8.00 -1.26 -5.06 116.55 124.32 2dcy n ASP 119 Ca -0.00 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.08 2dcy n ASP 119 Cb 0.04 0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 2dcy n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dcy n GLY 120 N 1.49 0.95 3.93 0.44 0.00 -0.77 -5.04 105.19 106.18 2dcy n GLY 120 Ca 0.05 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 43.87 2dcy n GLY 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dcy s ASP 121 N -3.93 5.13 -0.90 1.61 1.11 -1.26 -0.19 116.67 118.24 2dcy s ASP 121 Ca 0.00 0.55 -0.05 0.00 0.18 0.00 0.00 52.55 53.23 2dcy s ASP 121 Cb 0.00 -1.34 -0.02 0.00 1.07 0.00 0.00 42.92 42.63 2dcy s ASP 121 CO 0.00 -1.38 0.77 -1.14 1.18 0.00 0.00 175.17 174.60 2dcy n ARG 122 N -2.78 -1.58 -4.17 8.23 0.63 -1.18 -4.88 116.66 110.93 2dcy n ARG 122 Ca 0.07 1.07 -0.15 0.00 -0.92 0.00 0.00 57.85 57.92 2dcy n ARG 122 Cb 0.59 -5.13 -0.11 0.00 0.45 0.00 0.00 32.46 28.26 2dcy n ARG 122 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2dcy s THR 123 N -3.18 0.94 -0.12 5.15 -4.23 -0.54 -4.79 115.64 108.86 2dcy s THR 123 Ca 0.21 -1.57 -0.01 0.00 -1.18 0.00 0.00 61.69 59.14 2dcy s THR 123 Cb -0.05 -1.28 -0.03 0.00 1.34 0.00 0.00 72.50 72.49 2dcy s THR 123 CO 0.78 -0.51 -0.06 -0.89 -0.54 0.00 0.00 174.62 173.40 2dcy s THR 124 N -2.23 3.70 0.31 3.99 2.01 -1.26 -1.12 115.64 121.04 2dcy s THR 124 Ca 0.04 -0.45 -0.19 0.00 0.31 0.00 0.00 61.69 61.40 2dcy s THR 124 Cb -0.04 -2.57 0.03 0.00 0.01 0.00 0.00 72.50 69.93 2dcy s THR 124 CO 0.00 0.54 0.76 0.72 -0.69 0.00 0.00 174.62 175.95 2dcy s PHE 125 N -0.13 -0.07 -0.00 4.92 -0.12 -0.83 -4.91 117.98 116.84 2dcy s PHE 125 Ca 0.02 -0.46 0.06 0.00 -0.05 0.00 0.00 56.93 56.50 2dcy s PHE 125 Cb -0.13 0.76 -0.03 0.00 -0.63 0.00 0.00 43.02 42.99 2dcy s PHE 125 CO 0.03 -1.35 -0.19 0.99 -0.05 0.00 0.00 175.22 174.65 2dcy s THR 126 N -3.30 2.70 -0.17 -4.49 2.01 -1.21 -1.04 115.64 110.14 2dcy s THR 126 Ca 0.13 -1.02 -0.08 0.00 0.31 0.00 0.00 61.69 61.03 2dcy s THR 126 Cb -0.06 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 2dcy s THR 126 CO 0.08 0.48 0.10 -1.10 -0.69 0.00 0.00 174.62 173.49 2dcy s GLN 127 N -1.02 3.88 -0.17 4.92 -0.21 0.71 -1.83 119.66 125.95 2dcy s GLN 127 Ca 0.12 -0.25 -0.05 0.00 0.02 0.00 0.00 55.36 55.20 2dcy s GLN 127 Cb -0.10 -3.27 -0.03 0.00 1.00 0.00 0.00 33.01 30.61 2dcy s GLN 127 CO 0.02 0.43 0.01 0.71 -2.12 0.00 0.00 175.29 174.34 2dcy s TYR 128 N -0.04 3.12 -0.05 0.91 2.02 0.09 -2.00 117.35 121.40 2dcy s TYR 128 Ca 0.08 -0.14 0.05 0.00 -0.37 0.00 0.00 57.07 56.70 2dcy s TYR 128 Cb -0.12 -2.01 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 2dcy s TYR 128 CO 0.00 0.04 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.24 2dcy s TRP 129 N 0.37 2.03 -0.21 2.71 0.52 -0.07 -1.17 118.94 123.13 2dcy s TRP 129 Ca -0.01 -0.57 -0.04 0.00 0.02 0.00 0.00 56.10 55.50 2dcy s TRP 129 Cb -0.13 -1.35 -0.01 0.00 -1.15 0.00 0.00 33.47 30.83 2dcy s TRP 129 CO 0.02 -0.17 -0.04 -1.12 0.02 0.00 0.00 176.95 175.66 2dcy s SER 130 N -0.12 4.45 -0.16 2.95 0.01 -0.15 -0.92 113.70 119.76 2dcy s SER 130 Ca -0.02 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 56.92 2dcy s SER 130 Cb -0.12 -1.76 0.03 0.00 0.21 0.00 0.00 66.02 64.38 2dcy s SER 130 CO 0.02 0.03 -0.13 -0.69 0.41 0.00 0.00 173.24 172.87 2dcy s VAL 131 N 1.21 1.62 0.48 3.43 1.01 0.38 -0.56 120.40 127.98 2dcy s VAL 131 Ca 0.03 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 61.02 2dcy s VAL 131 Cb -0.14 -1.57 -0.08 0.00 0.00 0.00 0.00 36.38 34.59 2dcy s VAL 131 CO -0.01 0.38 1.28 -1.14 0.00 0.00 0.00 175.10 175.61 2dcy n ARG 132 N 4.74 1.76 0.16 2.72 0.63 -0.48 -0.85 116.66 125.33 2dcy n ARG 132 Ca -0.17 0.64 0.03 0.00 -0.92 0.00 0.00 57.85 57.43 2dcy n ARG 132 Cb 0.49 -2.44 0.22 0.00 0.45 0.00 0.00 32.46 31.19 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 1.71 0.00 -4.85 -0.14 4.20 -1.28 -3.44 115.11 111.30 2dcy h GLN 133 Ca -0.49 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 57.94 2dcy h GLN 133 Cb 1.30 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.94 2dcy h GLN 133 CO 0.58 0.50 -0.70 -1.12 -0.67 0.00 0.00 178.83 177.42 2dcy s SER 134 N -6.56 1.43 0.18 1.46 0.01 -1.26 -5.10 113.70 103.86 2dcy s SER 134 Ca 0.00 -1.04 -0.31 0.00 1.31 0.00 0.00 55.95 55.92 2dcy s SER 134 Cb 0.11 0.05 -0.10 0.00 0.21 0.00 0.00 66.02 66.30 2dcy s SER 134 CO 0.72 -0.43 1.50 -0.54 0.41 0.00 0.00 173.24 174.90 2dcy s LYS 135 N -3.81 4.25 0.16 12.44 1.02 -1.26 -4.90 119.74 127.64 2dcy s LYS 135 Ca 0.16 2.29 -0.30 0.00 0.02 0.00 0.00 55.97 58.14 2dcy s LYS 135 Cb 0.04 -3.16 -0.08 0.00 -0.52 0.00 0.00 37.83 34.12 2dcy s LYS 135 CO -0.01 -0.52 1.20 0.50 -0.92 0.00 0.00 175.35 175.60 2dcy s ARG 136 N 0.65 4.48 0.52 1.68 3.52 0.29 -4.99 118.95 125.10 2dcy s ARG 136 Ca 0.66 1.85 -0.22 0.00 -0.13 0.00 0.00 55.73 57.89 2dcy s ARG 136 Cb -0.42 -3.26 -0.06 0.00 -1.56 0.00 0.00 34.95 29.65 2dcy s ARG 136 CO 0.35 -0.12 1.24 -2.30 -0.81 0.00 0.00 175.30 173.66 2dcy n PRO 137 N 2.78 1.58 -4.43 5.12 -0.02 -1.26 -4.80 135.00 133.98 2dcy n PRO 137 Ca 0.05 0.58 -0.24 0.00 -2.02 0.00 0.00 63.50 61.87 2dcy n PRO 137 Cb 0.45 -2.42 -0.09 0.00 -0.02 0.00 0.00 33.50 31.42 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 -1.31 2.72 0.00 3.45 -4.23 -1.26 -4.82 115.64 110.19 2dcy s THR 138 Ca 0.69 -2.28 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 2dcy s THR 138 Cb -0.45 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 70.95 2dcy s THR 138 CO 0.51 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 2dcy n GLY 139 N -0.69 2.01 3.66 3.99 0.00 -0.79 -5.00 105.19 108.37 2dcy n GLY 139 Ca -0.05 0.00 -0.24 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 -1.75 4.29 0.32 1.61 0.01 -1.26 -4.84 113.70 112.08 2dcy s SER 140 Ca 0.00 -0.96 -0.29 0.00 1.31 0.00 0.00 55.95 56.01 2dcy s SER 140 Cb 0.00 -0.57 -0.11 0.00 0.21 0.00 0.00 66.02 65.55 2dcy s SER 140 CO 0.00 -0.27 1.55 0.20 0.41 0.00 0.00 173.24 175.13 2dcy s ASN 141 N -3.75 6.37 0.08 2.44 0.01 -1.26 -4.53 114.94 114.30 2dcy s ASN 141 Ca 0.36 2.97 0.03 0.00 -0.71 0.00 0.00 52.86 55.50 2dcy s ASN 141 Cb -0.00 -2.64 -0.03 0.00 0.41 0.00 0.00 41.25 38.98 2dcy s ASN 141 CO 0.20 -0.89 -0.08 0.00 -1.51 0.00 0.00 177.10 174.82 2dcy s ALA 142 N -0.35 0.90 0.04 0.60 0.00 0.57 -5.00 121.76 118.52 2dcy s ALA 142 Ca 0.60 -1.11 0.08 0.00 0.00 0.00 0.00 51.96 51.53 2dcy s ALA 142 Cb -0.47 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 2dcy s ALA 142 CO 0.52 -0.10 -0.23 0.95 0.00 0.00 0.00 175.76 176.90 2dcy s THR 143 N -2.50 1.88 -0.29 0.00 -4.23 -1.26 -0.69 115.64 108.55 2dcy s THR 143 Ca 0.03 -1.27 -0.00 0.00 -1.18 0.00 0.00 61.69 59.26 2dcy s THR 143 Cb -0.02 -1.62 0.05 0.00 1.34 0.00 0.00 72.50 72.25 2dcy s THR 143 CO -0.01 0.29 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.70 2dcy s ILE 144 N -0.79 2.74 -1.00 2.99 1.01 0.64 -4.80 121.20 121.98 2dcy s ILE 144 Ca 0.09 -1.47 -0.20 0.00 0.00 0.00 0.00 60.65 59.07 2dcy s ILE 144 Cb -0.09 -2.59 0.10 0.00 0.01 0.00 0.00 42.46 39.89 2dcy s ILE 144 CO 0.02 -0.09 1.31 -0.89 0.00 0.00 0.00 174.94 175.28 2dcy s THR 145 N 1.20 4.39 0.39 2.92 2.01 -1.26 -0.64 115.64 124.66 2dcy s THR 145 Ca -0.06 -1.34 0.14 0.00 0.31 0.00 0.00 61.69 60.74 2dcy s THR 145 Cb -0.20 -4.92 0.14 0.00 0.01 0.00 0.00 72.50 67.53 2dcy s THR 145 CO -0.02 -1.71 1.90 0.15 -0.69 0.00 0.00 174.62 174.24 2dcy h PHE 146 N 9.04 0.00 -0.84 4.92 3.57 -1.75 -0.95 116.94 130.93 2dcy h PHE 146 Ca 0.20 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.89 2dcy h PHE 146 Cb 1.00 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.68 2dcy h PHE 146 CO 1.22 0.29 0.56 0.66 -2.23 0.00 0.00 178.31 178.82 2dcy h SER 147 N 0.00 0.37 -0.58 0.41 4.64 -1.70 0.16 113.55 116.85 2dcy h SER 147 Ca -0.00 0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 2dcy h SER 147 Cb 0.53 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 2dcy h SER 147 CO 0.04 0.17 -0.05 0.78 -0.87 0.00 0.00 176.83 176.89 2dcy h ASN 148 N 0.38 1.04 -0.25 4.97 2.35 -1.50 -1.69 115.58 120.89 2dcy h ASN 148 Ca 0.43 -0.33 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 2dcy h ASN 148 Cb 1.08 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.17 2dcy h ASN 148 CO -0.15 1.12 -0.43 0.45 -1.65 0.00 0.00 177.43 176.78 2dcy h HIS 149 N 0.94 0.91 -0.41 1.19 3.86 -1.30 -1.53 115.15 118.82 2dcy h HIS 149 Ca 0.16 -0.32 0.06 0.00 -1.16 0.00 0.00 60.37 59.11 2dcy h HIS 149 Cb 0.62 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.86 2dcy h HIS 149 CO 0.04 1.10 0.11 0.28 0.86 0.00 0.00 177.93 180.32 2dcy h VAL 150 N 0.46 0.82 -0.27 2.45 2.07 -0.86 0.12 116.25 121.05 2dcy h VAL 150 Ca 0.02 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 2dcy h VAL 150 Cb 1.03 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2dcy h VAL 150 CO 0.10 0.05 -0.04 0.78 0.02 0.00 0.00 177.57 178.48 2dcy h ASN 151 N 0.25 0.50 -0.56 0.57 2.35 -1.31 -0.92 115.58 116.46 2dcy h ASN 151 Ca 0.20 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 2dcy h ASN 151 Cb 0.22 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 2dcy h ASN 151 CO -0.23 0.72 0.30 0.00 -1.65 0.00 0.00 177.43 176.57 2dcy h ALA 152 N 0.79 0.72 -0.59 -0.83 0.00 -1.14 -1.96 119.26 116.26 2dcy h ALA 152 Ca 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2dcy h ALA 152 Cb 0.49 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2dcy h ALA 152 CO 0.02 0.25 0.35 -1.49 0.00 0.00 0.00 179.25 178.38 2dcy h TRP 153 N 0.76 0.78 -0.61 0.00 6.55 -0.62 -1.95 115.95 120.87 2dcy h TRP 153 Ca 0.20 -0.00 0.10 0.00 0.95 0.00 0.00 58.89 60.14 2dcy h TRP 153 Cb 0.06 -0.26 -0.08 0.00 -0.86 0.00 0.00 29.16 28.03 2dcy h TRP 153 CO -0.01 0.54 0.19 -0.22 -1.05 0.00 0.00 178.44 177.89 2dcy h LYS 154 N 0.79 0.33 -0.04 0.49 3.64 -0.84 0.80 116.57 121.74 2dcy h LYS 154 Ca 0.21 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2dcy h LYS 154 Cb -0.01 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2dcy h LYS 154 CO -0.04 0.22 0.03 0.77 -2.27 0.00 0.00 179.45 178.17 2dcy h SER 155 N 0.34 0.00 -0.64 4.20 0.02 -0.59 -1.38 113.55 115.50 2dcy h SER 155 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2dcy h SER 155 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2dcy h SER 155 CO -0.35 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 176.75 2dcy n HIS 156 N -4.39 1.55 -1.31 3.45 8.25 -0.49 -4.93 115.22 117.34 2dcy n HIS 156 Ca -0.02 -0.60 -0.03 0.00 -0.26 0.00 0.00 57.72 56.80 2dcy n HIS 156 Cb 0.13 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 30.96 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 1.10 0.54 3.13 -1.41 0.00 -0.52 -4.99 105.19 103.04 2dcy n GLY 157 Ca 0.26 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.70 2.62 -0.16 1.61 -1.94 0.15 -5.00 119.30 113.88 2dcy s MET 158 Ca 0.00 -2.39 -0.07 0.00 -1.71 0.00 0.00 55.69 51.51 2dcy s MET 158 Cb 0.00 -3.81 -0.04 0.00 2.01 0.00 0.00 34.83 32.99 2dcy s MET 158 CO 0.00 -1.18 0.09 -0.80 -0.01 0.00 0.00 175.02 173.13 2dcy s ASN 159 N 1.13 5.95 0.66 3.03 0.01 -1.26 -3.26 114.94 121.19 2dcy s ASN 159 Ca 0.15 0.23 -0.11 0.00 -0.71 0.00 0.00 52.86 52.42 2dcy s ASN 159 Cb -0.20 -1.97 -0.01 0.00 0.41 0.00 0.00 41.25 39.48 2dcy s ASN 159 CO -0.04 0.26 1.06 -0.76 -1.51 0.00 0.00 177.10 176.11 2dcy s LEU 160 N -0.14 3.08 0.84 0.60 1.43 -1.26 -4.92 118.68 118.31 2dcy s LEU 160 Ca 0.09 1.31 -0.12 0.00 -1.03 0.00 0.00 54.13 54.38 2dcy s LEU 160 Cb -0.12 -4.24 0.10 0.00 0.03 0.00 0.00 46.19 41.96 2dcy s LEU 160 CO 0.01 -1.11 1.12 -0.83 0.23 0.00 0.00 176.35 175.77 2dcy s GLY 161 N -4.23 1.60 0.29 -3.19 0.00 -1.25 -4.71 107.32 95.82 2dcy s GLY 161 Ca 0.57 -0.39 0.23 0.00 0.00 0.00 0.00 44.72 45.13 2dcy s GLY 161 CO 0.53 0.09 1.33 1.48 0.00 0.00 0.00 173.10 176.53 2dcy h SER 162 N -1.23 0.00 -3.53 1.64 4.64 -1.03 -3.43 113.55 110.61 2dcy h SER 162 Ca -0.48 -0.02 -0.72 0.00 -0.47 0.00 0.00 61.79 60.10 2dcy h SER 162 Cb 1.30 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.17 2dcy h SER 162 CO 0.61 0.01 -0.45 0.21 -0.87 0.00 0.00 176.83 176.34 2dcy s ASN 163 N -5.53 6.00 -0.17 4.97 3.04 -0.64 -5.00 114.94 117.62 2dcy s ASN 163 Ca 0.04 -0.91 -0.25 0.00 0.04 0.00 0.00 52.86 51.77 2dcy s ASN 163 Cb 0.08 -2.12 -0.01 0.00 -1.54 0.00 0.00 41.25 37.66 2dcy s ASN 163 CO 0.73 -0.43 0.83 0.26 -3.04 0.00 0.00 177.10 175.46 2dcy s TRP 164 N 1.65 3.43 0.00 0.43 0.52 -1.26 -0.21 118.94 123.49 2dcy s TRP 164 Ca 0.04 1.27 0.00 0.00 0.02 0.00 0.00 56.10 57.43 2dcy s TRP 164 Cb -0.19 -3.02 0.00 0.00 -1.15 0.00 0.00 33.47 29.11 2dcy s TRP 164 CO 0.09 -0.23 0.00 0.00 0.02 0.00 0.00 176.95 176.83 2dcy n ALA 165 N 5.20 0.00 -1.15 0.98 0.00 -0.71 -4.49 120.51 120.34 2dcy n ALA 165 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 2dcy n ALA 165 Cb 0.49 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.06 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 1.98 2.33 -0.20 0.00 -0.85 -1.10 -0.34 117.35 119.18 2dcy s TYR 166 Ca 0.00 1.46 -0.04 0.00 -0.52 0.00 0.00 57.07 57.97 2dcy s TYR 166 Cb 0.00 -3.12 0.10 0.00 0.38 0.00 0.00 41.96 39.31 2dcy s TYR 166 CO 0.00 -2.21 0.27 -1.14 -1.52 0.00 0.00 175.55 170.95 2dcy s GLN 167 N -4.87 0.22 0.10 -3.49 0.74 -0.16 -2.44 119.66 109.76 2dcy s GLN 167 Ca 0.63 0.40 0.02 0.00 0.05 0.00 0.00 55.36 56.46 2dcy s GLN 167 Cb -0.18 -0.78 -0.04 0.00 1.10 0.00 0.00 33.01 33.11 2dcy s GLN 167 CO 0.57 -0.57 -0.07 0.14 -0.55 0.00 0.00 175.29 174.81 2dcy s VAL 168 N 2.40 0.73 -0.46 1.34 -7.23 0.03 -0.64 120.40 116.58 2dcy s VAL 168 Ca 0.07 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.13 2dcy s VAL 168 Cb -0.15 -1.70 0.05 0.00 0.56 0.00 0.00 36.38 35.15 2dcy s VAL 168 CO -0.12 -0.86 0.41 -0.32 -0.31 0.00 0.00 175.10 173.90 2dcy s MET 169 N -3.83 3.01 0.17 4.82 1.75 -0.30 -0.44 119.30 124.48 2dcy s MET 169 Ca 0.12 -1.16 0.07 0.00 -1.25 0.00 0.00 55.69 53.48 2dcy s MET 169 Cb 0.05 -4.08 -0.04 0.00 2.84 0.00 0.00 34.83 33.60 2dcy s MET 169 CO -0.04 -0.97 -0.00 0.00 -0.65 0.00 0.00 175.02 173.35 2dcy s ALA 170 N 1.83 3.20 -0.27 4.11 0.00 0.76 -3.08 121.76 128.30 2dcy s ALA 170 Ca 0.06 -1.37 -0.08 0.00 0.00 0.00 0.00 51.96 50.57 2dcy s ALA 170 Cb -0.22 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 2dcy s ALA 170 CO 0.09 0.48 0.09 0.99 0.00 0.00 0.00 175.76 177.41 2dcy s THR 171 N -1.74 4.40 0.02 0.00 2.01 0.21 -1.49 115.64 119.05 2dcy s THR 171 Ca 0.27 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 62.09 2dcy s THR 171 Cb -0.09 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 2dcy s THR 171 CO 0.19 0.26 -0.14 -0.70 -0.69 0.00 0.00 174.62 173.54 2dcy s GLU 172 N 1.61 2.27 0.14 4.92 2.12 -0.38 -1.32 118.70 128.07 2dcy s GLU 172 Ca 0.06 -0.87 -0.00 0.00 0.36 0.00 0.00 54.97 54.52 2dcy s GLU 172 Cb -0.16 -2.31 -0.04 0.00 0.26 0.00 0.00 34.13 31.89 2dcy s GLU 172 CO 0.04 0.57 0.04 0.20 -0.54 0.00 0.00 175.26 175.58 2dcy s GLY 173 N -1.35 1.06 -0.16 -1.50 0.00 -0.84 0.07 107.32 104.59 2dcy s GLY 173 Ca 0.15 -1.51 -0.08 0.00 0.00 0.00 0.00 44.72 43.28 2dcy s GLY 173 CO 0.05 -1.41 0.37 -0.47 0.00 0.00 0.00 173.10 171.65 2dcy s TYR 174 N -3.95 -0.56 -1.34 1.90 5.04 -0.76 -2.19 117.35 115.49 2dcy s TYR 174 Ca 0.24 1.20 -0.03 0.00 -2.44 0.00 0.00 57.07 56.03 2dcy s TYR 174 Cb 0.07 0.22 0.02 0.00 0.35 0.00 0.00 41.96 42.62 2dcy s TYR 174 CO 0.02 -0.33 0.83 1.04 -1.34 0.00 0.00 175.55 175.78 2dcy n GLN 175 N 4.35 -5.50 -4.02 4.97 6.02 -0.73 -3.99 117.38 118.49 2dcy n GLN 175 Ca -0.22 0.66 -0.13 0.00 -0.01 0.00 0.00 57.00 57.30 2dcy n GLN 175 Cb 0.54 -5.39 -0.03 0.00 1.02 0.00 0.00 30.24 26.39 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 -4.08 0.61 0.24 1.08 1.04 -1.25 -4.48 113.70 106.87 2dcy s SER 176 Ca 0.18 -1.35 0.03 0.00 0.48 0.00 0.00 55.95 55.29 2dcy s SER 176 Cb -0.09 0.70 -0.05 0.00 0.10 0.00 0.00 66.02 66.68 2dcy s SER 176 CO 0.80 -1.37 0.01 -0.44 0.98 0.00 0.00 173.24 173.22 2dcy s SER 177 N -3.18 1.87 0.00 7.02 0.01 -1.00 -1.06 113.70 117.37 2dcy s SER 177 Ca 0.26 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.28 2dcy s SER 177 Cb -0.01 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.22 2dcy s SER 177 CO 0.17 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2dcy n GLY 178 N -0.46 -1.67 3.16 3.44 0.00 -0.45 -0.09 105.19 109.12 2dcy n GLY 178 Ca -0.04 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 2dcy n GLY 178 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dcy s SER 179 N -3.27 0.02 0.07 1.61 1.04 -0.85 -1.01 113.70 111.31 2dcy s SER 179 Ca 0.00 -0.29 -0.08 0.00 0.48 0.00 0.00 55.95 56.06 2dcy s SER 179 Cb 0.00 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 2dcy s SER 179 CO 0.00 -0.49 0.16 -0.94 0.98 0.00 0.00 173.24 172.95 2dcy s SER 180 N -1.81 0.14 -0.19 7.02 1.04 0.18 -0.80 113.70 119.28 2dcy s SER 180 Ca -0.09 -0.60 -0.06 0.00 0.48 0.00 0.00 55.95 55.68 2dcy s SER 180 Cb -0.03 0.30 0.09 0.00 0.10 0.00 0.00 66.02 66.47 2dcy s SER 180 CO -0.01 -0.65 0.40 0.21 0.98 0.00 0.00 173.24 174.17 2dcy s ASN 181 N -2.58 -0.16 -0.01 7.02 3.84 -0.28 -1.17 114.94 121.59 2dcy s ASN 181 Ca 0.01 0.91 0.01 0.00 0.21 0.00 0.00 52.86 54.00 2dcy s ASN 181 Cb 0.03 1.26 0.01 0.00 -0.55 0.00 0.00 41.25 42.00 2dcy s ASN 181 CO -0.08 -0.24 -0.01 -0.69 -2.79 0.00 0.00 177.10 173.29 2dcy s VAL 182 N 2.59 0.14 -0.10 -5.21 1.01 -0.51 -0.84 120.40 117.47 2dcy s VAL 182 Ca -0.01 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.96 2dcy s VAL 182 Cb -0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 2dcy s VAL 182 CO -0.12 0.07 -0.13 -0.89 0.00 0.00 0.00 175.10 174.03 2dcy s THR 183 N 0.27 3.14 -0.03 3.92 2.01 -0.23 -1.05 115.64 123.67 2dcy s THR 183 Ca -0.02 -0.65 0.06 0.00 0.31 0.00 0.00 61.69 61.38 2dcy s THR 183 Cb -0.04 -2.29 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 2dcy s THR 183 CO -0.01 0.55 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.58 2dcy s VAL 184 N -0.06 1.60 0.00 3.82 1.01 -0.26 -0.95 120.40 125.55 2dcy s VAL 184 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2dcy s VAL 184 Cb -0.14 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.90 2dcy s VAL 184 CO 0.04 0.45 0.00 -2.67 0.00 0.00 0.00 175.10 172.92