#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1msc n SER 2 N 0.00 0.64 0.00 0.00 7.64 -1.26 -5.17 113.62 115.47 1msc n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1msc n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1msc n SER 2 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1msc n ASN 3 N 0.00 0.00 -3.43 6.43 6.94 -1.26 -4.98 115.26 118.96 1msc n ASN 3 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.39 1msc n ASN 3 Cb 0.00 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 37.50 1msc n ASN 3 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1msc n PHE 4 N 0.00 -2.20 -4.26 -2.53 7.35 -1.26 -4.97 117.46 109.59 1msc n PHE 4 Ca 0.00 0.90 -0.14 0.00 -0.76 0.00 0.00 57.45 57.45 1msc n PHE 4 Cb 0.00 -4.80 -0.10 0.00 0.35 0.00 0.00 39.48 34.93 1msc n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1msc s THR 5 N -3.41 0.59 0.29 -2.13 -4.23 -1.26 -4.81 115.64 100.69 1msc s THR 5 Ca 0.09 -1.98 -0.29 0.00 -1.18 0.00 0.00 61.69 58.33 1msc s THR 5 Cb -0.01 -2.28 -0.10 0.00 1.34 0.00 0.00 72.50 71.45 1msc s THR 5 CO 0.74 -0.32 1.28 -1.58 -0.54 0.00 0.00 174.62 174.20 1msc s GLN 6 N -3.96 4.41 0.21 3.99 0.74 -1.26 -4.58 119.66 119.20 1msc s GLN 6 Ca 0.28 2.11 -0.03 0.00 0.05 0.00 0.00 55.36 57.78 1msc s GLN 6 Cb 0.07 -3.12 -0.03 0.00 1.10 0.00 0.00 33.01 31.02 1msc s GLN 6 CO 0.07 -0.14 0.19 -0.59 -0.55 0.00 0.00 175.29 174.26 1msc s PHE 7 N -0.81 1.03 -0.48 1.67 -0.71 -0.40 -4.99 117.98 113.29 1msc s PHE 7 Ca 0.50 -1.28 -0.19 0.00 -1.04 0.00 0.00 56.93 54.93 1msc s PHE 7 Cb -0.38 -0.44 0.05 0.00 -1.21 0.00 0.00 43.02 41.04 1msc s PHE 7 CO 0.47 -0.70 0.57 0.08 -1.34 0.00 0.00 175.22 174.30 1msc s VAL 8 N -4.13 4.94 -0.05 -2.49 1.01 -1.26 0.01 120.40 118.44 1msc s VAL 8 Ca 0.36 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.66 1msc s VAL 8 Cb 0.06 -4.22 -0.22 0.00 0.00 0.00 0.00 36.38 32.00 1msc s VAL 8 CO 0.12 -0.68 1.12 0.25 0.00 0.00 0.00 175.10 175.91 1msc h LEU 9 N 9.49 0.09 -7.82 3.92 5.85 -0.87 -3.43 115.31 122.54 1msc h LEU 9 Ca -0.27 -0.66 -0.67 0.00 0.84 0.00 0.00 57.88 57.12 1msc h LEU 9 Cb 1.10 -0.03 -0.37 0.00 0.37 0.00 0.00 40.66 41.73 1msc h LEU 9 CO 0.91 0.73 -0.74 -0.69 -0.34 0.00 0.00 178.44 178.32 1msc s VAL 10 N -3.59 2.40 -0.34 1.05 1.01 -0.73 -4.95 120.40 115.25 1msc s VAL 10 Ca -0.16 -1.92 -0.24 0.00 0.00 0.00 0.00 61.98 59.66 1msc s VAL 10 Cb 0.01 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1msc s VAL 10 CO 0.70 -0.31 0.84 -0.62 0.00 0.00 0.00 175.10 175.71 1msc s ASP 11 N 1.10 6.65 -0.31 3.32 2.15 -1.26 0.94 116.67 129.26 1msc s ASP 11 Ca 0.01 0.57 0.08 0.00 0.43 0.00 0.00 52.55 53.63 1msc s ASP 11 Cb -0.20 -2.43 0.52 0.00 -0.30 0.00 0.00 42.92 40.52 1msc s ASP 11 CO -0.06 -0.73 1.51 0.59 -0.17 0.00 0.00 175.17 176.31 1msc n ASN 12 N 6.46 2.62 -1.66 -0.34 3.02 -1.26 -4.97 115.26 119.13 1msc n ASN 12 Ca 0.05 -3.79 -0.14 0.00 -0.03 0.00 0.00 54.58 50.67 1msc n ASN 12 Cb 0.48 -0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 38.95 1msc n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1msc n GLY 13 N -1.13 0.91 3.61 7.41 0.00 -1.26 -4.82 105.19 109.91 1msc n GLY 13 Ca 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.37 1msc n GLY 13 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1msc s GLY 14 N -2.16 -0.34 0.06 -0.02 0.00 -1.26 -5.02 107.32 98.58 1msc s GLY 14 Ca 0.00 1.32 0.02 0.00 0.00 0.00 0.00 44.72 46.06 1msc s GLY 14 CO 0.00 0.39 0.27 -1.30 0.00 0.00 0.00 173.10 172.46 1msc n THR 15 N -0.24 -0.07 0.00 0.90 -2.24 -1.26 -2.16 114.28 109.20 1msc n THR 15 Ca -0.02 0.36 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 1msc n THR 15 Cb 0.60 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1msc n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1msc n GLY 16 N -1.07 0.00 3.73 3.38 0.00 -1.26 -4.86 105.19 105.11 1msc n GLY 16 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1msc n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1msc s ASP 17 N -1.02 4.27 -0.20 1.61 1.01 -0.92 -4.69 116.67 116.73 1msc s ASP 17 Ca 0.00 2.33 -0.10 0.00 0.71 0.00 0.00 52.55 55.49 1msc s ASP 17 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 1msc s ASP 17 CO 0.00 -2.21 0.12 -0.69 0.21 0.00 0.00 175.17 172.60 1msc s VAL 18 N -2.01 5.31 -0.05 -1.27 1.01 0.27 -4.95 120.40 118.70 1msc s VAL 18 Ca 0.74 0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.93 1msc s VAL 18 Cb -0.28 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 1msc s VAL 18 CO 0.45 0.44 -0.24 0.42 0.00 0.00 0.00 175.10 176.17 1msc s THR 19 N 0.41 1.96 0.05 3.92 -4.23 -1.26 -0.15 115.64 116.34 1msc s THR 19 Ca 0.07 -1.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.60 1msc s THR 19 Cb -0.11 -1.66 -0.04 0.00 1.34 0.00 0.00 72.50 72.03 1msc s THR 19 CO -0.01 0.55 -0.00 0.68 -0.54 0.00 0.00 174.62 175.29 1msc s VAL 20 N -0.16 4.07 -0.02 2.29 -7.23 0.10 -4.42 120.40 115.03 1msc s VAL 20 Ca -0.03 -0.82 0.06 0.00 -1.81 0.00 0.00 61.98 59.38 1msc s VAL 20 Cb -0.13 -2.88 -0.01 0.00 0.56 0.00 0.00 36.38 33.92 1msc s VAL 20 CO 0.03 0.24 -0.19 0.00 -0.31 0.00 0.00 175.10 174.87 1msc s ALA 21 N -1.21 1.59 -0.32 1.32 0.00 0.11 -1.28 121.76 121.97 1msc s ALA 21 Ca 0.23 -0.80 -0.44 0.00 0.00 0.00 0.00 51.96 50.94 1msc s ALA 21 Cb -0.12 -0.43 -0.20 0.00 0.00 0.00 0.00 23.12 22.38 1msc s ALA 21 CO 0.15 0.37 1.44 -2.30 0.00 0.00 0.00 175.76 175.41 1msc n PRO 22 N 2.71 0.10 -0.02 0.00 -0.02 -1.26 -1.63 135.00 134.87 1msc n PRO 22 Ca -0.16 0.04 -0.03 0.00 -2.02 0.00 0.00 63.50 61.33 1msc n PRO 22 Cb 0.53 -1.55 -0.02 0.00 -0.02 0.00 0.00 33.50 32.44 1msc n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1msc n SER 23 N 3.26 3.75 -3.66 2.55 3.41 0.25 -4.85 113.62 118.33 1msc n SER 23 Ca 0.27 -0.02 -0.10 0.00 -0.26 0.00 0.00 58.87 58.76 1msc n SER 23 Cb 0.00 0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 63.97 1msc n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1msc s ASN 24 N -4.23 -0.21 -0.47 4.04 2.47 -1.12 -5.01 114.94 110.40 1msc s ASN 24 Ca -0.05 -0.36 0.08 0.00 0.42 0.00 0.00 52.86 52.95 1msc s ASN 24 Cb 0.01 0.48 0.30 0.00 -1.45 0.00 0.00 41.25 40.59 1msc s ASN 24 CO 0.11 -0.87 0.72 0.33 -3.72 0.00 0.00 177.10 173.67 1msc n PHE 25 N -0.23 1.53 -2.99 0.43 7.35 -1.26 0.42 117.46 122.71 1msc n PHE 25 Ca -0.15 -3.85 -0.42 0.00 -0.76 0.00 0.00 57.45 52.26 1msc n PHE 25 Cb 0.64 -0.44 -0.05 0.00 0.35 0.00 0.00 39.48 39.97 1msc n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1msc s ALA 26 N -2.30 3.40 -0.34 3.13 0.00 -0.29 -4.70 121.76 120.65 1msc s ALA 26 Ca 0.40 -0.78 -0.31 0.00 0.00 0.00 0.00 51.96 51.28 1msc s ALA 26 Cb 0.24 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 20.05 1msc s ALA 26 CO -0.09 -1.57 0.51 0.27 0.00 0.00 0.00 175.76 174.88 1msc n ASN 27 N 6.43 -4.71 0.00 0.00 6.94 -1.26 -1.26 115.26 121.39 1msc n ASN 27 Ca 0.02 -0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.48 1msc n ASN 27 Cb 0.48 -1.35 0.00 0.00 -2.36 0.00 0.00 39.78 36.56 1msc n ASN 27 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1msc n GLY 28 N -0.03 1.89 3.55 4.83 0.00 -1.26 -4.92 105.19 109.26 1msc n GLY 28 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1msc n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1msc s VAL 29 N -0.60 4.89 -0.06 1.61 1.01 -0.39 -4.34 120.40 122.52 1msc s VAL 29 Ca 0.00 0.41 -0.20 0.00 0.00 0.00 0.00 61.98 62.19 1msc s VAL 29 Cb 0.00 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1msc s VAL 29 CO 0.00 -0.39 0.58 0.00 0.00 0.00 0.00 175.10 175.29 1msc s ALA 30 N 2.70 3.45 -0.05 5.51 0.00 -0.68 -1.14 121.76 131.55 1msc s ALA 30 Ca 0.23 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.21 1msc s ALA 30 Cb -0.14 -2.76 -0.00 0.00 0.00 0.00 0.00 23.12 20.22 1msc s ALA 30 CO 0.16 0.04 -0.18 -2.00 0.00 0.00 0.00 175.76 173.78 1msc s GLU 31 N 0.35 1.93 0.06 0.00 -6.30 0.17 -0.37 118.70 114.53 1msc s GLU 31 Ca 0.31 -0.65 0.07 0.00 -2.50 0.00 0.00 54.97 52.19 1msc s GLU 31 Cb -0.17 -1.66 -0.04 0.00 0.00 0.00 0.00 34.13 32.27 1msc s GLU 31 CO 0.15 0.26 -0.15 -1.58 0.02 0.00 0.00 175.26 173.95 1msc s TRP 32 N 0.03 2.63 0.08 5.30 0.51 0.69 0.84 118.94 129.03 1msc s TRP 32 Ca -0.04 -0.21 -0.03 0.00 -2.12 0.00 0.00 56.10 53.70 1msc s TRP 32 Cb -0.12 -1.46 -0.03 0.00 -0.81 0.00 0.00 33.47 31.05 1msc s TRP 32 CO 0.03 0.32 0.05 0.96 -0.51 0.00 0.00 176.95 177.79 1msc s ILE 33 N -1.02 0.17 0.16 2.03 -4.36 -0.65 -1.12 121.20 116.41 1msc s ILE 33 Ca 0.17 -1.70 0.02 0.00 -0.26 0.00 0.00 60.65 58.87 1msc s ILE 33 Cb -0.11 -1.63 0.02 0.00 1.25 0.00 0.00 42.46 41.99 1msc s ILE 33 CO 0.08 -0.78 0.15 -1.54 0.24 0.00 0.00 174.94 173.09 1msc n SER 34 N 0.02 1.29 -3.14 4.36 3.41 -0.96 0.05 113.62 118.66 1msc n SER 34 Ca -0.12 -1.53 -0.13 0.00 -0.26 0.00 0.00 58.87 56.84 1msc n SER 34 Cb 0.62 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1msc n SER 34 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1msc n SER 35 N -2.16 1.05 -4.62 4.04 2.88 -1.26 -4.72 113.62 108.83 1msc n SER 35 Ca 0.01 -2.16 -0.60 0.00 -1.33 0.00 0.00 58.87 54.79 1msc n SER 35 Cb 0.18 -0.62 -0.08 0.00 -0.75 0.00 0.00 64.21 62.94 1msc n SER 35 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1msc n ASN 36 N 5.63 1.04 -0.38 -3.46 6.94 -1.26 -4.24 115.26 119.53 1msc n ASN 36 Ca 0.17 1.15 -0.05 0.00 -0.02 0.00 0.00 54.58 55.82 1msc n ASN 36 Cb 0.11 -1.00 -0.02 0.00 -2.36 0.00 0.00 39.78 36.51 1msc n ASN 36 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1msc n SER 37 N 3.01 -4.01 -3.88 0.53 7.64 -1.26 -4.71 113.62 110.94 1msc n SER 37 Ca 0.24 0.12 -0.30 0.00 1.01 0.00 0.00 58.87 59.94 1msc n SER 37 Cb 0.07 -1.95 -0.14 0.00 -1.01 0.00 0.00 64.21 61.19 1msc n SER 37 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1msc s ARG 38 N -1.97 1.68 -1.30 1.43 0.52 -1.26 -4.47 118.95 113.57 1msc s ARG 38 Ca 0.00 -2.31 0.00 0.00 -0.52 0.00 0.00 55.73 52.90 1msc s ARG 38 Cb 0.00 -2.97 0.00 0.00 0.52 0.00 0.00 34.95 32.50 1msc s ARG 38 CO 0.00 -1.10 0.00 0.43 0.02 0.00 0.00 175.30 174.65 1msc n SER 39 N 3.42 -5.51 0.00 0.23 7.64 -1.26 -4.82 113.62 113.32 1msc n SER 39 Ca 0.06 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1msc n SER 39 Cb 0.34 -4.09 0.00 0.00 -1.01 0.00 0.00 64.21 59.45 1msc n SER 39 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1msc n GLN 40 N -1.26 2.11 -2.76 1.43 0.00 -1.26 -4.95 117.38 110.68 1msc n GLN 40 Ca -0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 57.00 56.86 1msc n GLN 40 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.82 1msc n GLN 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1msc n ALA 41 N -3.00 -3.36 -2.59 1.69 0.00 -1.26 -4.43 120.51 107.56 1msc n ALA 41 Ca 0.00 0.66 -0.38 0.00 0.00 0.00 0.00 53.44 53.72 1msc n ALA 41 Cb 0.00 -1.67 -0.06 0.00 0.00 0.00 0.00 19.45 17.71 1msc n ALA 41 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1msc s TYR 42 N -1.86 3.63 -0.03 0.00 1.51 -1.26 -4.10 117.35 115.24 1msc s TYR 42 Ca 0.06 0.92 0.02 0.00 -1.01 0.00 0.00 57.07 57.06 1msc s TYR 42 Cb -0.02 -2.38 0.01 0.00 -0.11 0.00 0.00 41.96 39.46 1msc s TYR 42 CO 0.78 0.45 -0.07 0.21 -1.11 0.00 0.00 175.55 175.80 1msc s LYS 43 N -0.36 0.81 -0.03 -0.62 2.20 -0.83 -2.25 119.74 118.66 1msc s LYS 43 Ca 0.24 -0.22 0.04 0.00 -0.36 0.00 0.00 55.97 55.66 1msc s LYS 43 Cb -0.16 -0.78 -0.00 0.00 -1.51 0.00 0.00 37.83 35.38 1msc s LYS 43 CO 0.11 0.06 -0.15 0.08 -0.36 0.00 0.00 175.35 175.09 1msc s VAL 44 N 0.32 1.24 -0.01 4.02 1.01 -0.28 0.10 120.40 126.82 1msc s VAL 44 Ca -0.04 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.36 1msc s VAL 44 Cb -0.09 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 1msc s VAL 44 CO 0.00 0.36 -0.16 -0.89 0.00 0.00 0.00 175.10 174.41 1msc s THR 45 N -0.04 1.29 -0.12 3.92 2.01 -0.17 -0.22 115.64 122.30 1msc s THR 45 Ca -0.01 -0.74 -0.05 0.00 0.31 0.00 0.00 61.69 61.21 1msc s THR 45 Cb -0.09 -1.08 0.06 0.00 0.01 0.00 0.00 72.50 71.39 1msc s THR 45 CO 0.01 0.33 0.24 0.00 -0.69 0.00 0.00 174.62 174.51 1msc s SER 47 N 2.14 2.71 -0.00 0.00 1.04 -0.65 -1.68 113.70 117.26 1msc s SER 47 Ca -0.01 -0.98 0.03 0.00 0.48 0.00 0.00 55.95 55.47 1msc s SER 47 Cb -0.12 -0.16 -0.01 0.00 0.10 0.00 0.00 66.02 65.84 1msc s SER 47 CO -0.08 -0.11 -0.08 -0.69 0.98 0.00 0.00 173.24 173.26 1msc s VAL 48 N -2.66 0.63 -0.05 5.02 1.01 -1.26 -0.91 120.40 122.18 1msc s VAL 48 Ca 0.21 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 1msc s VAL 48 Cb -0.03 -0.55 0.09 0.00 0.00 0.00 0.00 36.38 35.89 1msc s VAL 48 CO 0.08 0.13 0.76 0.00 0.00 0.00 0.00 175.10 176.06 1msc s ARG 49 N -0.32 0.96 -0.33 2.72 1.70 -0.84 -4.97 118.95 117.87 1msc s ARG 49 Ca 0.02 0.10 -0.29 0.00 -0.47 0.00 0.00 55.73 55.09 1msc s ARG 49 Cb -0.04 0.45 0.01 0.00 -0.57 0.00 0.00 34.95 34.81 1msc s ARG 49 CO -0.00 -0.33 1.17 1.14 -1.08 0.00 0.00 175.30 176.20 1msc s GLN 50 N -1.64 3.96 0.00 3.89 1.03 -1.26 0.23 119.66 125.87 1msc s GLN 50 Ca -0.06 1.08 0.00 0.00 0.04 0.00 0.00 55.36 56.41 1msc s GLN 50 Cb -0.00 -3.82 0.00 0.00 0.03 0.00 0.00 33.01 29.22 1msc s GLN 50 CO 0.04 -1.05 0.00 -1.13 -2.54 0.00 0.00 175.29 170.60 1msc n SER 51 N 7.30 0.00 -4.55 12.60 3.41 -0.01 -4.63 113.62 127.74 1msc n SER 51 Ca 0.13 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.42 1msc n SER 51 Cb 0.47 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.38 1msc n SER 51 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1msc s SER 52 N -1.00 5.03 -0.59 4.04 1.04 -1.26 -4.78 113.70 116.18 1msc s SER 52 Ca 0.00 0.04 -0.26 0.00 0.48 0.00 0.00 55.95 56.21 1msc s SER 52 Cb 0.00 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.50 1msc s SER 52 CO 0.00 -2.68 2.35 0.00 0.98 0.00 0.00 173.24 173.89 1msc s ALA 53 N 10.21 1.44 0.00 5.32 0.00 -1.26 -3.21 121.76 134.26 1msc s ALA 53 Ca 0.73 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1msc s ALA 53 Cb -0.11 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.60 1msc s ALA 53 CO 0.13 -4.79 0.00 0.94 0.00 0.00 0.00 175.76 172.04 1msc n GLN 54 N 8.98 0.36 -4.15 0.00 7.27 -1.26 -5.07 117.38 123.51 1msc n GLN 54 Ca 0.38 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 57.32 1msc n GLN 54 Cb 0.52 -0.07 -0.11 0.00 2.41 0.00 0.00 30.24 32.99 1msc n GLN 54 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1msc s ASN 55 N -0.59 1.23 0.05 1.69 0.01 -1.20 -1.56 114.94 114.58 1msc s ASN 55 Ca 0.00 -0.82 0.05 0.00 -0.71 0.00 0.00 52.86 51.38 1msc s ASN 55 Cb 0.00 0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.66 1msc s ASN 55 CO 0.00 -0.31 -0.07 -0.60 -1.51 0.00 0.00 177.10 174.61 1msc s ARG 56 N -2.86 2.40 -0.17 -0.60 3.52 -0.42 -0.83 118.95 119.99 1msc s ARG 56 Ca 0.04 -0.85 -0.04 0.00 -0.13 0.00 0.00 55.73 54.76 1msc s ARG 56 Cb -0.02 -2.43 0.06 0.00 -1.56 0.00 0.00 34.95 31.00 1msc s ARG 56 CO -0.01 0.56 0.06 0.21 -0.81 0.00 0.00 175.30 175.31 1msc s LYS 57 N -1.82 0.33 -0.16 5.12 2.20 0.62 -0.25 119.74 125.79 1msc s LYS 57 Ca 0.20 -0.20 -0.19 0.00 -0.36 0.00 0.00 55.97 55.42 1msc s LYS 57 Cb -0.11 -1.86 -0.03 0.00 -1.51 0.00 0.00 37.83 34.31 1msc s LYS 57 CO 0.11 -0.63 0.55 0.71 -0.36 0.00 0.00 175.35 175.73 1msc s TYR 58 N 2.01 3.44 -0.29 4.03 1.51 -0.13 -1.99 117.35 125.93 1msc s TYR 58 Ca 0.01 0.89 -0.02 0.00 -1.01 0.00 0.00 57.07 56.94 1msc s TYR 58 Cb -0.16 -2.67 0.05 0.00 -0.11 0.00 0.00 41.96 39.06 1msc s TYR 58 CO -0.08 -0.01 -0.01 -0.08 -1.11 0.00 0.00 175.55 174.26 1msc s THR 59 N 1.29 2.96 -0.15 -0.71 -1.32 -0.09 -1.25 115.64 116.36 1msc s THR 59 Ca 0.27 -1.33 -0.02 0.00 -1.21 0.00 0.00 61.69 59.40 1msc s THR 59 Cb -0.16 -2.68 -0.02 0.00 -1.51 0.00 0.00 72.50 68.14 1msc s THR 59 CO 0.11 -0.06 -0.08 -0.63 -2.21 0.00 0.00 174.62 171.75 1msc s ILE 60 N 1.26 3.42 -0.02 5.08 1.01 0.48 -1.63 121.20 130.81 1msc s ILE 60 Ca -0.05 -0.52 0.08 0.00 0.00 0.00 0.00 60.65 60.16 1msc s ILE 60 Cb -0.19 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 1msc s ILE 60 CO -0.02 0.50 -0.26 -0.54 0.00 0.00 0.00 174.94 174.62 1msc s LYS 61 N 0.53 2.10 -0.07 2.79 1.02 -0.69 0.19 119.74 125.59 1msc s LYS 61 Ca -0.06 -0.92 0.01 0.00 0.02 0.00 0.00 55.97 55.02 1msc s LYS 61 Cb -0.15 -2.03 0.02 0.00 -0.52 0.00 0.00 37.83 35.15 1msc s LYS 61 CO 0.03 0.56 -0.10 0.08 -0.92 0.00 0.00 175.35 175.00 1msc s VAL 62 N -0.61 0.99 -0.18 3.17 1.01 -0.34 -1.00 120.40 123.44 1msc s VAL 62 Ca 0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1msc s VAL 62 Cb -0.10 -0.95 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 1msc s VAL 62 CO -0.01 0.33 -0.12 -1.61 0.00 0.00 0.00 175.10 173.69 1msc s GLU 63 N 0.99 3.25 -0.17 2.72 2.02 0.29 -1.77 118.70 126.03 1msc s GLU 63 Ca -0.09 -0.71 -0.06 0.00 0.02 0.00 0.00 54.97 54.13 1msc s GLU 63 Cb -0.15 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 1msc s GLU 63 CO 0.00 -0.08 0.03 0.54 0.02 0.00 0.00 175.26 175.78 1msc s VAL 64 N 1.08 4.54 -0.00 2.63 0.11 -0.75 -1.96 120.40 126.04 1msc s VAL 64 Ca -0.00 -0.13 0.32 0.00 -2.93 0.00 0.00 61.98 59.24 1msc s VAL 64 Cb -0.15 -3.02 0.35 0.00 -1.53 0.00 0.00 36.38 32.03 1msc s VAL 64 CO -0.03 0.48 1.94 1.55 -3.33 0.00 0.00 175.10 175.71 1msc h PRO 65 N 6.56 0.00 -3.21 1.54 0.13 -1.78 -3.00 132.00 132.24 1msc h PRO 65 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1msc h PRO 65 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1msc h PRO 65 CO 0.67 0.00 -0.73 1.63 -0.23 0.00 0.00 178.00 179.35 1msc n LYS 66 N -2.79 -4.03 0.00 0.86 5.02 -1.26 -4.36 118.16 111.59 1msc n LYS 66 Ca 0.00 2.93 0.00 0.00 -2.02 0.00 0.00 58.31 59.22 1msc n LYS 66 Cb 0.23 -3.17 0.00 0.00 -0.02 0.00 0.00 35.03 32.07 1msc n LYS 66 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1msc n VAL 67 N 0.55 0.00 -3.91 -0.18 3.14 -1.26 -4.35 118.33 112.32 1msc n VAL 67 Ca 0.00 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.02 1msc n VAL 67 Cb 0.00 -0.28 -0.07 0.00 -1.06 0.00 0.00 33.84 32.43 1msc n VAL 67 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1msc s ALA 68 N -1.65 3.74 0.00 1.55 0.00 -1.26 -4.69 121.76 119.45 1msc s ALA 68 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1msc s ALA 68 Cb 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.16 1msc s ALA 68 CO 0.00 0.49 0.00 2.41 0.00 0.00 0.00 175.76 178.66 1msc n THR 69 N 2.44 -0.12 0.00 0.00 -1.04 -1.26 -4.82 114.28 109.48 1msc n THR 69 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1msc n THR 69 Cb 0.54 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1msc n THR 69 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1msc n GLN 70 N 2.82 0.00 -0.11 -2.82 0.00 -1.26 -4.77 117.38 111.23 1msc n GLN 70 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 56.99 1msc n GLN 70 Cb 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 30.24 30.10 1msc n GLN 70 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1msc n THR 71 N -0.37 0.67 0.00 1.69 -2.24 -1.26 -4.62 114.28 108.15 1msc n THR 71 Ca 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1msc n THR 71 Cb 0.00 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 1msc n THR 71 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1msc n VAL 72 N 0.17 0.00 -4.36 2.28 0.24 -1.26 -5.02 118.33 110.37 1msc n VAL 72 Ca 0.04 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.11 1msc n VAL 72 Cb 0.46 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.70 1msc n VAL 72 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1msc s GLY 73 N 0.00 1.15 0.00 7.63 0.00 -1.26 -5.08 107.32 109.76 1msc s GLY 73 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.56 1msc s GLY 73 CO 0.00 -1.14 0.00 0.61 0.00 0.00 0.00 173.10 172.57 1msc n GLY 74 N 1.33 1.91 2.00 0.20 0.00 -1.26 -4.87 105.19 104.51 1msc n GLY 74 Ca -0.19 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 1msc n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1msc n VAL 75 N 0.00 -1.51 0.00 1.61 0.31 -1.26 -4.85 118.33 112.63 1msc n VAL 75 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1msc n VAL 75 Cb 0.00 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 1msc n VAL 75 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1msc n GLU 76 N 0.03 0.00 -2.48 5.55 2.13 -1.26 -4.40 120.64 120.21 1msc n GLU 76 Ca -0.03 0.30 -0.41 0.00 0.66 0.00 0.00 57.16 57.68 1msc n GLU 76 Cb 0.28 -1.03 -0.03 0.00 0.27 0.00 0.00 31.44 30.93 1msc n GLU 76 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1msc s LEU 77 N -1.78 3.23 0.00 4.31 -0.00 -1.26 -4.83 118.68 118.36 1msc s LEU 77 Ca 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 54.13 53.90 1msc s LEU 77 Cb 0.00 -2.68 0.00 0.00 -0.00 0.00 0.00 46.19 43.51 1msc s LEU 77 CO 0.00 -1.84 0.00 -2.65 -0.00 0.00 0.00 176.35 171.86 1msc n PRO 78 N 9.18 1.18 0.00 1.48 -0.02 -1.26 -5.08 135.00 140.47 1msc n PRO 78 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1msc n PRO 78 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 1msc n PRO 78 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1msc n VAL 79 N -0.78 0.00 -0.98 -1.45 0.24 -1.26 -4.95 118.33 109.15 1msc n VAL 79 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1msc n VAL 79 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1msc n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1msc n ALA 80 N 0.00 0.00 0.00 2.33 0.00 -1.26 -4.76 120.51 116.82 1msc n ALA 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1msc n ALA 80 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1msc n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1msc n ALA 81 N 1.00 0.00 -0.25 0.00 0.00 -1.26 -3.80 120.51 116.20 1msc n ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1msc n ALA 81 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1msc n ALA 81 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1msc n ARG 82 N 0.00 0.00 -0.81 0.00 -4.01 -1.26 -4.49 116.66 106.09 1msc n ARG 82 Ca 0.00 0.00 -0.29 0.00 -1.04 0.00 0.00 57.85 56.52 1msc n ARG 82 Cb 0.00 -0.26 0.24 0.00 -3.04 0.00 0.00 32.46 29.40 1msc n ARG 82 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 1msc s ARG 83 N -1.71 -1.11 0.33 2.89 0.52 -1.25 -4.87 118.95 113.76 1msc s ARG 83 Ca 0.00 0.36 0.10 0.00 -0.52 0.00 0.00 55.73 55.67 1msc s ARG 83 Cb 0.00 -1.57 -0.06 0.00 0.52 0.00 0.00 34.95 33.84 1msc s ARG 83 CO 0.00 -3.73 -0.10 -1.12 0.02 0.00 0.00 175.30 170.37 1msc s SER 84 N -3.24 3.78 -0.15 0.23 0.01 -1.13 -4.99 113.70 108.20 1msc s SER 84 Ca 0.68 -1.12 -0.27 0.00 1.31 0.00 0.00 55.95 56.55 1msc s SER 84 Cb -0.17 -0.38 0.07 0.00 0.21 0.00 0.00 66.02 65.75 1msc s SER 84 CO 0.59 -0.15 0.67 -0.72 0.41 0.00 0.00 173.24 174.04 1msc s TYR 85 N -2.57 -0.68 -0.05 2.43 -0.85 -1.26 -1.81 117.35 112.56 1msc s TYR 85 Ca 0.32 1.43 0.06 0.00 -0.52 0.00 0.00 57.07 58.36 1msc s TYR 85 Cb 0.00 0.32 -0.01 0.00 0.38 0.00 0.00 41.96 42.66 1msc s TYR 85 CO 0.17 -0.48 -0.22 -1.17 -1.52 0.00 0.00 175.55 172.33 1msc s LEU 86 N -0.45 2.01 -0.35 -3.49 0.20 -0.73 -4.99 118.68 110.89 1msc s LEU 86 Ca -0.06 -0.44 0.00 0.00 0.69 0.00 0.00 54.13 54.33 1msc s LEU 86 Cb -0.03 -1.19 0.11 0.00 -0.43 0.00 0.00 46.19 44.65 1msc s LEU 86 CO 0.05 0.22 0.13 0.21 -0.29 0.00 0.00 176.35 176.68 1msc s ASN 87 N -0.16 3.96 -0.04 3.68 2.47 -1.25 -1.20 114.94 122.39 1msc s ASN 87 Ca -0.01 -1.95 0.01 0.00 0.42 0.00 0.00 52.86 51.33 1msc s ASN 87 Cb -0.12 -0.95 -0.03 0.00 -1.45 0.00 0.00 41.25 38.70 1msc s ASN 87 CO 0.02 -0.37 -0.04 -0.32 -3.72 0.00 0.00 177.10 172.67 1msc s MET 88 N 1.22 2.76 -0.09 0.43 1.75 0.49 -4.98 119.30 120.89 1msc s MET 88 Ca 0.12 -0.57 -0.00 0.00 -1.25 0.00 0.00 55.69 53.99 1msc s MET 88 Cb -0.19 -2.63 0.02 0.00 2.84 0.00 0.00 34.83 34.88 1msc s MET 88 CO -0.17 0.65 -0.05 -1.21 -0.65 0.00 0.00 175.02 173.60 1msc s GLU 89 N -1.08 1.13 -0.22 4.11 2.02 -1.26 -0.38 118.70 123.00 1msc s GLU 89 Ca 0.15 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.02 1msc s GLU 89 Cb -0.11 -1.27 0.03 0.00 0.10 0.00 0.00 34.13 32.88 1msc s GLU 89 CO 0.04 -0.24 -0.12 -1.17 0.02 0.00 0.00 175.26 173.80 1msc s LEU 90 N 1.64 2.85 -0.18 1.80 2.96 -0.38 -5.00 118.68 122.37 1msc s LEU 90 Ca 0.02 -0.87 -0.06 0.00 -0.22 0.00 0.00 54.13 52.99 1msc s LEU 90 Cb -0.13 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1msc s LEU 90 CO -0.05 -0.09 0.03 -0.89 -1.32 0.00 0.00 176.35 174.03 1msc s THR 91 N 1.28 4.51 0.12 3.68 2.01 -1.26 -0.95 115.64 125.02 1msc s THR 91 Ca 0.00 -0.13 0.07 0.00 0.31 0.00 0.00 61.69 61.94 1msc s THR 91 Cb -0.16 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1msc s THR 91 CO -0.08 0.46 -0.17 0.27 -0.69 0.00 0.00 174.62 174.42 1msc s ILE 92 N 0.44 1.50 0.39 1.82 -4.36 0.66 -5.00 121.20 116.64 1msc s ILE 92 Ca 0.01 -1.63 -0.27 0.00 -0.26 0.00 0.00 60.65 58.50 1msc s ILE 92 Cb -0.13 -1.52 -0.09 0.00 1.25 0.00 0.00 42.46 41.97 1msc s ILE 92 CO 0.01 -0.26 1.33 -2.84 0.24 0.00 0.00 174.94 173.42 1msc s PRO 93 N -2.30 4.06 0.28 0.37 0.02 -1.26 -1.30 135.00 134.87 1msc s PRO 93 Ca 0.08 2.23 0.02 0.00 0.02 0.00 0.00 61.00 63.35 1msc s PRO 93 Cb -0.07 -2.85 0.60 0.00 0.02 0.00 0.00 34.50 32.20 1msc s PRO 93 CO 0.04 -0.44 1.81 0.97 -0.33 0.00 0.00 177.00 179.05 1msc h ILE 94 N 2.65 0.83 -0.24 2.83 -0.00 -1.60 -2.37 117.51 119.61 1msc h ILE 94 Ca -0.50 -0.30 -0.05 0.00 -0.00 0.00 0.00 64.86 64.01 1msc h ILE 94 Cb 1.24 -0.12 -0.03 0.00 -0.00 0.00 0.00 36.82 37.91 1msc h ILE 94 CO 0.63 0.16 -0.03 0.49 -0.00 0.00 0.00 178.15 179.40 1msc n PHE 95 N -4.70 0.81 -1.60 2.19 3.72 -1.26 -4.97 117.46 111.65 1msc n PHE 95 Ca 0.20 -1.13 -0.50 0.00 -0.05 0.00 0.00 57.45 55.97 1msc n PHE 95 Cb 0.43 -0.34 -0.05 0.00 -0.94 0.00 0.00 39.48 38.58 1msc n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1msc n ALA 96 N -0.86 -0.43 -1.25 4.37 0.00 -0.89 -4.95 120.51 116.49 1msc n ALA 96 Ca 0.24 0.48 -0.29 0.00 0.00 0.00 0.00 53.44 53.88 1msc n ALA 96 Cb 0.89 -2.11 0.17 0.00 0.00 0.00 0.00 19.45 18.40 1msc n ALA 96 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1msc s THR 97 N 0.29 1.99 -0.86 0.00 -4.23 -1.26 -4.80 115.64 106.76 1msc s THR 97 Ca 0.79 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 61.52 1msc s THR 97 Cb -0.86 -2.56 0.21 0.00 1.34 0.00 0.00 72.50 70.63 1msc s THR 97 CO 0.47 0.00 1.71 0.59 -0.54 0.00 0.00 174.62 176.85 1msc n ASN 98 N -4.12 0.25 0.05 3.99 5.03 -1.26 -1.48 115.26 117.73 1msc n ASN 98 Ca 0.06 0.54 -0.17 0.00 0.87 0.00 0.00 54.58 55.88 1msc n ASN 98 Cb 0.58 -0.60 -0.14 0.00 -1.02 0.00 0.00 39.78 38.60 1msc n ASN 98 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1msc h SER 99 N 0.00 0.37 -0.37 6.41 4.64 -1.98 -0.00 113.55 122.62 1msc h SER 99 Ca 0.00 -0.54 -0.07 0.00 -0.47 0.00 0.00 61.79 60.71 1msc h SER 99 Cb 0.43 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1msc h SER 99 CO 0.00 1.46 -0.03 0.44 -0.87 0.00 0.00 176.83 177.83 1msc h ASP 100 N 0.06 0.66 -0.28 4.97 3.32 -1.84 -2.14 116.42 121.19 1msc h ASP 100 Ca -0.26 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.39 1msc h ASP 100 Cb 2.02 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 41.37 1msc h ASP 100 CO 0.15 0.83 -0.05 0.00 -1.72 0.00 0.00 179.24 178.46 1msc h GLU 102 N 0.60 0.34 -0.37 0.00 5.08 -0.85 -2.87 114.58 116.51 1msc h GLU 102 Ca 0.12 -0.28 0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1msc h GLU 102 Cb 0.45 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.68 1msc h GLU 102 CO 0.02 0.93 -0.20 1.25 -1.00 0.00 0.00 179.01 180.01 1msc h LEU 103 N -0.16 -0.66 -0.81 1.33 5.85 -1.41 -2.49 115.31 116.95 1msc h LEU 103 Ca -0.02 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1msc h LEU 103 Cb 1.00 0.35 -0.05 0.00 0.37 0.00 0.00 40.66 42.33 1msc h LEU 103 CO 0.07 -0.23 0.51 0.40 -0.34 0.00 0.00 178.44 178.86 1msc h ILE 104 N -0.13 1.11 -0.02 4.05 2.04 -1.26 -0.88 117.51 122.42 1msc h ILE 104 Ca 0.19 -0.34 -0.12 0.00 1.00 0.00 0.00 64.86 65.59 1msc h ILE 104 Cb 0.42 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1msc h ILE 104 CO -0.46 0.18 -0.55 0.58 0.00 0.00 0.00 178.15 177.91 1msc h VAL 105 N 0.99 1.39 -0.12 1.67 2.07 -1.38 -2.04 116.25 118.82 1msc h VAL 105 Ca 0.33 -1.87 -0.09 0.00 0.82 0.00 0.00 66.70 65.89 1msc h VAL 105 Cb 0.03 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1msc h VAL 105 CO -0.12 0.54 -0.26 0.11 0.02 0.00 0.00 177.57 177.86 1msc h LYS 106 N 0.03 0.39 -0.83 1.57 1.57 -1.07 -2.19 116.57 116.05 1msc h LYS 106 Ca -0.00 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.54 1msc h LYS 106 Cb 0.98 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.27 1msc h LYS 106 CO 0.07 0.86 0.54 0.00 -0.57 0.00 0.00 179.45 180.35 1msc h ALA 107 N 0.53 1.07 -0.23 3.86 0.00 -1.02 -1.16 119.26 122.31 1msc h ALA 107 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1msc h ALA 107 Cb 0.85 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1msc h ALA 107 CO 0.06 0.40 0.14 0.52 0.00 0.00 0.00 179.25 180.37 1msc h MET 108 N 1.07 0.28 -0.39 0.00 2.86 -1.43 -0.30 114.93 117.02 1msc h MET 108 Ca 0.32 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.86 1msc h MET 108 Cb -0.05 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1msc h MET 108 CO -0.09 0.18 -0.11 1.96 1.06 0.00 0.00 176.91 179.91 1msc h GLN 109 N 0.29 0.68 -0.04 1.72 4.20 -1.28 -2.91 115.11 117.78 1msc h GLN 109 Ca 0.09 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1msc h GLN 109 Cb -0.01 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1msc h GLN 109 CO -0.04 0.77 -0.02 0.78 -0.67 0.00 0.00 178.83 179.66 1msc h GLY 110 N 0.97 0.09 0.49 3.46 0.00 -0.99 -3.02 103.07 104.05 1msc h GLY 110 Ca 0.11 -0.07 0.22 0.00 0.00 0.00 0.00 47.33 47.58 1msc h GLY 110 CO 0.03 0.07 0.54 -2.00 0.00 0.00 0.00 176.54 175.19 1msc h LEU 111 N -0.30 0.04 -1.68 3.11 5.85 -0.85 -3.01 115.31 118.46 1msc h LEU 111 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1msc h LEU 111 Cb 0.43 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1msc h LEU 111 CO 0.01 0.02 0.00 0.18 -0.34 0.00 0.00 178.44 178.30 1msc n LEU 112 N -4.33 2.45 -4.76 2.25 4.77 -1.20 -4.31 117.00 111.87 1msc n LEU 112 Ca 0.15 -1.01 -0.41 0.00 -0.03 0.00 0.00 56.01 54.71 1msc n LEU 112 Cb 0.81 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.88 1msc n LEU 112 CO 0.37 0.43 1.14 -0.54 -1.33 0.00 0.00 177.39 177.47 1msc s LYS 113 N -1.43 4.20 0.05 3.23 1.02 -1.14 -4.82 119.74 120.85 1msc s LYS 113 Ca 0.20 2.43 -0.10 0.00 0.02 0.00 0.00 55.97 58.52 1msc s LYS 113 Cb 0.14 -3.05 -0.02 0.00 -0.52 0.00 0.00 37.83 34.38 1msc s LYS 113 CO 0.22 -0.48 0.50 -0.25 -0.92 0.00 0.00 175.35 174.42 1msc n ASP 114 N 1.75 -0.33 -0.84 2.83 9.92 -1.26 -1.24 116.55 127.38 1msc n ASP 114 Ca 0.05 0.57 0.09 0.00 -0.53 0.00 0.00 54.79 54.97 1msc n ASP 114 Cb 0.39 -0.08 0.25 0.00 -0.64 0.00 0.00 41.12 41.04 1msc n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1msc n GLY 115 N -1.08 1.09 3.80 0.44 0.00 -1.26 -4.53 105.19 103.65 1msc n GLY 115 Ca 0.01 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 1msc n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1msc s ASN 116 N -1.18 5.69 0.11 1.61 -0.87 -0.37 -4.81 114.94 115.11 1msc s ASN 116 Ca 0.33 1.83 -0.30 0.00 -1.57 0.00 0.00 52.86 53.15 1msc s ASN 116 Cb 0.17 -2.53 -0.11 0.00 -0.02 0.00 0.00 41.25 38.76 1msc s ASN 116 CO 0.24 -1.23 1.49 -0.65 -2.57 0.00 0.00 177.10 174.38 1msc h PRO 117 N 0.34 -0.49 0.16 -0.60 0.11 -1.88 0.23 132.00 129.87 1msc h PRO 117 Ca -0.47 0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.68 1msc h PRO 117 Cb 1.22 0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.41 1msc h PRO 117 CO 0.57 -0.32 -0.46 0.82 -0.21 0.00 0.00 178.00 178.39 1msc h ILE 118 N -0.51 0.00 -0.47 4.15 2.04 -1.94 0.29 117.51 121.07 1msc h ILE 118 Ca 0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 1msc h ILE 118 Cb 0.60 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1msc h ILE 118 CO -0.40 0.00 0.21 1.55 0.00 0.00 0.00 178.15 179.50 1msc h PRO 119 N -0.69 0.66 -0.67 2.37 0.13 -1.74 0.03 132.00 132.09 1msc h PRO 119 Ca -0.01 -0.08 -0.06 0.00 -0.87 0.00 0.00 66.00 64.98 1msc h PRO 119 Cb 0.68 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.65 1msc h PRO 119 CO -0.22 0.53 0.20 0.77 -0.23 0.00 0.00 178.00 179.05 1msc h SER 120 N 0.66 0.99 0.23 1.44 0.02 0.56 -0.59 113.55 116.87 1msc h SER 120 Ca 0.16 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1msc h SER 120 Cb 0.10 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1msc h SER 120 CO -0.02 0.94 -0.11 0.00 -1.14 0.00 0.00 176.83 176.50 1msc h ALA 121 N 1.09 -0.31 -0.35 3.77 0.00 0.19 -2.73 119.26 120.91 1msc h ALA 121 Ca 0.22 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1msc h ALA 121 Cb 0.31 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1msc h ALA 121 CO -0.00 -0.66 0.10 0.82 0.00 0.00 0.00 179.25 179.51 1msc h ILE 122 N -0.35 0.87 -0.11 0.00 2.04 -0.96 0.50 117.51 119.50 1msc h ILE 122 Ca -0.03 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1msc h ILE 122 Cb 0.27 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1msc h ILE 122 CO 0.05 0.04 -0.09 0.00 0.00 0.00 0.00 178.15 178.15 1msc h ALA 123 N 1.24 1.65 -0.01 1.87 0.00 -1.04 -2.05 119.26 120.92 1msc h ALA 123 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1msc h ALA 123 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1msc h ALA 123 CO -0.18 0.26 -0.09 0.00 0.00 0.00 0.00 179.25 179.23 1msc n ALA 124 N -2.50 2.76 -2.42 0.00 0.00 -0.93 -4.89 120.51 112.53 1msc n ALA 124 Ca -0.01 -0.31 -0.14 0.00 0.00 0.00 0.00 53.44 52.97 1msc n ALA 124 Cb 0.22 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1msc n ALA 124 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1msc n ASN 125 N -0.69 -4.43 -1.49 0.00 2.85 -0.76 -5.01 115.26 105.73 1msc n ASN 125 Ca 0.16 -0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.56 1msc n ASN 125 Cb 0.28 -3.50 0.00 0.00 1.24 0.00 0.00 39.78 37.80 1msc n ASN 125 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1msc n SER 126 N -0.83 0.54 -4.47 1.20 7.64 0.09 -5.02 113.62 112.78 1msc n SER 126 Ca -0.14 -0.75 -0.16 0.00 1.01 0.00 0.00 58.87 58.83 1msc n SER 126 Cb 0.61 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.87 1msc n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1msc n GLY 127 N 5.00 1.89 0.08 0.23 0.00 -1.26 -4.59 105.19 106.54 1msc n GLY 127 Ca 0.00 -2.20 -0.05 0.00 0.00 0.00 0.00 46.02 43.77 1msc n GLY 127 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1msc n ILE 128 N -2.10 1.11 -0.01 -0.61 -0.00 -1.26 -4.77 119.36 111.72 1msc n ILE 128 Ca 0.14 -0.77 0.00 0.00 -0.00 0.00 0.00 62.75 62.12 1msc n ILE 128 Cb 0.51 -0.42 0.00 0.00 -0.00 0.00 0.00 39.64 39.73 1msc n ILE 128 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33