#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mst n SER 2 N 0.00 0.00 -0.50 0.00 2.88 -1.26 -5.06 113.62 109.69 1mst n SER 2 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1mst n SER 2 Cb 0.00 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 63.96 1mst n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1mst n ASN 3 N 0.00 1.55 -4.11 -3.46 0.23 -1.26 -4.62 115.26 103.59 1mst n ASN 3 Ca 0.00 -1.53 -0.43 0.00 -0.53 0.00 0.00 54.58 52.10 1mst n ASN 3 Cb 0.00 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 1mst n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1mst n PHE 4 N 0.21 4.00 -4.55 -2.53 -0.00 -1.26 -4.91 117.46 108.42 1mst n PHE 4 Ca 0.19 -2.94 -0.26 0.00 -0.00 0.00 0.00 57.45 54.44 1mst n PHE 4 Cb 0.36 -2.50 -0.11 0.00 -0.00 0.00 0.00 39.48 37.23 1mst n PHE 4 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1mst s THR 5 N 3.18 1.98 0.43 -2.13 -4.23 -1.26 -4.85 115.64 108.77 1mst s THR 5 Ca 0.49 -2.09 -0.21 0.00 -1.18 0.00 0.00 61.69 58.69 1mst s THR 5 Cb 0.09 -2.79 -0.10 0.00 1.34 0.00 0.00 72.50 71.04 1mst s THR 5 CO -0.01 -0.11 0.97 0.00 -0.54 0.00 0.00 174.62 174.93 1mst s GLN 6 N -3.69 4.16 0.11 3.99 -2.07 -1.26 -4.59 119.66 116.31 1mst s GLN 6 Ca 0.34 1.19 -0.12 0.00 -1.82 0.00 0.00 55.36 54.95 1mst s GLN 6 Cb 0.06 -2.21 0.01 0.00 -1.09 0.00 0.00 33.01 29.79 1mst s GLN 6 CO 0.17 -0.10 0.29 -0.59 -1.32 0.00 0.00 175.29 173.73 1mst s PHE 7 N -2.09 0.04 -0.30 9.60 -0.71 -0.63 -5.00 117.98 118.89 1mst s PHE 7 Ca 0.62 -0.42 -0.22 0.00 -1.04 0.00 0.00 56.93 55.87 1mst s PHE 7 Cb -0.11 0.07 -0.01 0.00 -1.21 0.00 0.00 43.02 41.76 1mst s PHE 7 CO 0.15 -0.63 0.70 0.14 -1.34 0.00 0.00 175.22 174.24 1mst s VAL 8 N -3.85 4.88 0.03 -2.49 -7.23 -1.26 -0.66 120.40 109.81 1mst s VAL 8 Ca 0.06 1.02 -0.18 0.00 -1.81 0.00 0.00 61.98 61.07 1mst s VAL 8 Cb 0.03 -4.06 -0.24 0.00 0.56 0.00 0.00 36.38 32.67 1mst s VAL 8 CO -0.10 -0.17 1.11 0.25 -0.31 0.00 0.00 175.10 175.88 1mst h LEU 9 N 9.27 0.67 -7.88 1.32 5.85 -0.94 -3.43 115.31 120.17 1mst h LEU 9 Ca -0.26 -0.77 -0.65 0.00 0.84 0.00 0.00 57.88 57.04 1mst h LEU 9 Cb 1.11 -0.21 -0.37 0.00 0.37 0.00 0.00 40.66 41.57 1mst h LEU 9 CO 0.84 1.36 -0.81 -0.69 -0.34 0.00 0.00 178.44 178.79 1mst s VAL 10 N -3.17 1.97 -0.64 1.05 1.01 -0.84 -4.99 120.40 114.79 1mst s VAL 10 Ca -0.12 -1.29 -0.20 0.00 0.00 0.00 0.00 61.98 60.37 1mst s VAL 10 Cb 0.04 -2.01 0.10 0.00 0.00 0.00 0.00 36.38 34.52 1mst s VAL 10 CO 0.86 0.14 0.80 -0.62 0.00 0.00 0.00 175.10 176.28 1mst s ASP 11 N 1.24 6.24 -0.35 3.32 2.15 -1.26 -1.30 116.67 126.70 1mst s ASP 11 Ca -0.04 -1.43 0.05 0.00 0.43 0.00 0.00 52.55 51.56 1mst s ASP 11 Cb -0.17 -2.33 0.61 0.00 -0.30 0.00 0.00 42.92 40.72 1mst s ASP 11 CO -0.08 -1.17 1.76 0.59 -0.17 0.00 0.00 175.17 176.11 1mst n ASN 12 N 6.57 3.96 -2.34 -0.34 3.02 -1.26 -4.91 115.26 119.96 1mst n ASN 12 Ca -0.05 -3.28 -0.09 0.00 -0.03 0.00 0.00 54.58 51.13 1mst n ASN 12 Cb 0.44 -0.77 0.05 0.00 -0.61 0.00 0.00 39.78 38.89 1mst n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mst n GLY 13 N -0.63 -0.03 4.00 7.41 0.00 -1.26 -3.81 105.19 110.87 1mst n GLY 13 Ca 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1mst n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mst n GLY 14 N -1.11 1.51 3.22 -0.02 0.00 -1.26 -4.92 105.19 102.61 1mst n GLY 14 Ca -0.14 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1mst n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mst s THR 15 N -0.00 4.25 0.00 2.61 -4.23 -1.25 -4.40 115.64 112.62 1mst s THR 15 Ca 0.00 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1mst s THR 15 Cb 0.00 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 70.07 1mst s THR 15 CO 0.00 -0.73 0.00 0.61 -0.54 0.00 0.00 174.62 173.96 1mst n GLY 16 N 4.92 1.26 3.75 3.99 0.00 -1.26 -4.81 105.19 113.05 1mst n GLY 16 Ca -0.08 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1mst n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mst s ASP 17 N -2.13 6.82 -0.41 1.61 1.01 -1.26 -4.60 116.67 117.71 1mst s ASP 17 Ca 0.00 2.56 -0.17 0.00 0.71 0.00 0.00 52.55 55.66 1mst s ASP 17 Cb 0.00 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.32 1mst s ASP 17 CO 0.00 -0.55 0.42 -0.69 0.21 0.00 0.00 175.17 174.56 1mst s VAL 18 N -0.47 5.11 -0.07 -1.27 1.01 -0.42 -4.98 120.40 119.31 1mst s VAL 18 Ca 0.54 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.16 1mst s VAL 18 Cb -0.39 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1mst s VAL 18 CO 0.45 -0.38 -0.00 0.28 0.00 0.00 0.00 175.10 175.45 1mst s THR 19 N 2.08 4.27 -0.03 3.92 -1.32 -1.26 -0.22 115.64 123.07 1mst s THR 19 Ca 0.11 -0.31 0.06 0.00 -1.21 0.00 0.00 61.69 60.34 1mst s THR 19 Cb -0.17 -2.81 -0.02 0.00 -1.51 0.00 0.00 72.50 67.99 1mst s THR 19 CO 0.13 0.57 -0.21 0.54 -2.21 0.00 0.00 174.62 173.44 1mst s VAL 20 N -0.91 2.45 0.09 5.08 0.11 0.16 -4.27 120.40 123.11 1mst s VAL 20 Ca 0.14 -0.96 0.06 0.00 -2.93 0.00 0.00 61.98 58.30 1mst s VAL 20 Cb -0.11 -1.90 -0.03 0.00 -1.53 0.00 0.00 36.38 32.81 1mst s VAL 20 CO 0.04 0.58 -0.16 0.00 -3.33 0.00 0.00 175.10 172.23 1mst s ALA 21 N -0.65 1.41 0.14 1.54 0.00 -0.34 -1.60 121.76 122.25 1mst s ALA 21 Ca 0.10 -1.14 -0.35 0.00 0.00 0.00 0.00 51.96 50.57 1mst s ALA 21 Cb -0.10 -0.12 -0.15 0.00 0.00 0.00 0.00 23.12 22.74 1mst s ALA 21 CO -0.00 0.19 1.37 -2.30 0.00 0.00 0.00 175.76 175.02 1mst n PRO 22 N 1.01 1.49 0.00 0.00 -0.02 -1.26 -1.37 135.00 134.84 1mst n PRO 22 Ca -0.19 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1mst n PRO 22 Cb 0.55 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1mst n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1mst n SER 23 N 2.61 0.14 -3.60 2.55 3.41 0.20 -4.84 113.62 114.09 1mst n SER 23 Ca 0.17 -0.08 -0.06 0.00 -0.26 0.00 0.00 58.87 58.64 1mst n SER 23 Cb 0.24 0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.34 1mst n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1mst s ASN 24 N -0.22 -0.19 0.00 4.04 3.84 -1.21 -4.98 114.94 116.23 1mst s ASN 24 Ca 0.00 0.15 0.00 0.00 0.21 0.00 0.00 52.86 53.22 1mst s ASN 24 Cb 0.00 0.16 0.00 0.00 -0.55 0.00 0.00 41.25 40.86 1mst s ASN 24 CO 0.00 -0.21 0.66 0.33 -2.79 0.00 0.00 177.10 175.09 1mst n PHE 25 N 0.40 0.00 -1.75 0.43 -0.00 -1.25 -0.91 117.46 114.38 1mst n PHE 25 Ca -0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.00 1mst n PHE 25 Cb 0.58 -0.00 -0.01 0.00 -0.00 0.00 0.00 39.48 40.06 1mst n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1mst n ALA 26 N 0.00 2.19 -1.79 3.13 0.00 -1.26 -2.27 120.51 120.52 1mst n ALA 26 Ca 0.00 0.35 -0.18 0.00 0.00 0.00 0.00 53.44 53.61 1mst n ALA 26 Cb 0.58 -2.40 -0.06 0.00 0.00 0.00 0.00 19.45 17.57 1mst n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mst n ASN 27 N 0.99 -5.23 -0.52 0.00 3.02 -1.26 -2.73 115.26 109.54 1mst n ASN 27 Ca 0.04 0.30 -0.07 0.00 -0.03 0.00 0.00 54.58 54.83 1mst n ASN 27 Cb 0.38 -4.32 -0.03 0.00 -0.61 0.00 0.00 39.78 35.20 1mst n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mst n GLY 28 N -0.83 0.89 3.20 7.41 0.00 -0.96 -4.99 105.19 109.91 1mst n GLY 28 Ca -0.19 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 1mst n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mst s VAL 29 N -2.18 3.24 0.07 1.61 1.01 -1.10 -4.67 120.40 118.37 1mst s VAL 29 Ca 0.00 -1.31 -0.30 0.00 0.00 0.00 0.00 61.98 60.37 1mst s VAL 29 Cb 0.00 -2.85 -0.06 0.00 0.00 0.00 0.00 36.38 33.47 1mst s VAL 29 CO 0.00 -0.13 1.18 0.00 0.00 0.00 0.00 175.10 176.14 1mst s ALA 30 N 1.30 3.37 0.08 5.51 0.00 -0.46 -3.96 121.76 127.60 1mst s ALA 30 Ca -0.04 0.82 0.08 0.00 0.00 0.00 0.00 51.96 52.82 1mst s ALA 30 Cb -0.20 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1mst s ALA 30 CO 0.00 -0.40 -0.21 -2.00 0.00 0.00 0.00 175.76 173.15 1mst s GLU 31 N 0.94 1.24 -0.02 0.00 2.12 -0.08 -1.33 118.70 121.57 1mst s GLU 31 Ca 0.57 -1.07 0.01 0.00 0.36 0.00 0.00 54.97 54.84 1mst s GLU 31 Cb -0.29 -1.44 0.01 0.00 0.26 0.00 0.00 34.13 32.67 1mst s GLU 31 CO 0.30 0.35 -0.02 -1.58 -0.54 0.00 0.00 175.26 173.76 1mst s TRP 32 N -1.01 0.36 0.09 5.30 0.51 -0.04 -0.63 118.94 123.53 1mst s TRP 32 Ca 0.07 -0.05 0.02 0.00 -2.12 0.00 0.00 56.10 54.02 1mst s TRP 32 Cb -0.09 -0.33 -0.04 0.00 -0.81 0.00 0.00 33.47 32.20 1mst s TRP 32 CO 0.03 -0.07 -0.07 0.96 -0.51 0.00 0.00 176.95 177.29 1mst s ILE 33 N 0.42 0.73 0.72 2.03 -0.00 -0.47 -1.09 121.20 123.54 1mst s ILE 33 Ca -0.04 -1.80 -0.11 0.00 -0.00 0.00 0.00 60.65 58.69 1mst s ILE 33 Cb -0.07 -1.52 0.03 0.00 -0.00 0.00 0.00 42.46 40.90 1mst s ILE 33 CO -0.01 -0.77 1.10 -0.94 -0.00 0.00 0.00 174.94 174.33 1mst s SER 34 N -2.80 5.22 -1.25 4.36 1.04 -0.72 -1.19 113.70 118.35 1mst s SER 34 Ca 0.09 1.01 -0.17 0.00 0.48 0.00 0.00 55.95 57.36 1mst s SER 34 Cb 0.02 -1.75 -0.01 0.00 0.10 0.00 0.00 66.02 64.38 1mst s SER 34 CO -0.03 -1.46 2.08 -0.24 0.98 0.00 0.00 173.24 174.57 1mst n SER 35 N -3.05 3.62 -3.29 7.02 2.88 -1.26 -4.75 113.62 114.78 1mst n SER 35 Ca 0.07 -2.80 -0.18 0.00 -1.33 0.00 0.00 58.87 54.62 1mst n SER 35 Cb 0.58 -1.54 -0.07 0.00 -0.75 0.00 0.00 64.21 62.44 1mst n SER 35 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1mst s ASN 36 N 3.93 1.51 0.63 -3.46 -0.87 -1.26 -5.09 114.94 110.33 1mst s ASN 36 Ca 0.51 -1.70 -0.16 0.00 -1.57 0.00 0.00 52.86 49.95 1mst s ASN 36 Cb 0.12 0.59 -0.01 0.00 -0.02 0.00 0.00 41.25 41.93 1mst s ASN 36 CO -0.01 -1.14 1.11 -0.94 -2.57 0.00 0.00 177.10 173.56 1mst s SER 37 N -3.34 5.25 0.58 -1.22 1.04 -1.26 -4.77 113.70 109.98 1mst s SER 37 Ca 0.38 2.02 0.28 0.00 0.48 0.00 0.00 55.95 59.12 1mst s SER 37 Cb 0.01 -2.56 1.68 0.00 0.10 0.00 0.00 66.02 65.26 1mst s SER 37 CO 0.26 -1.54 2.14 -0.09 0.98 0.00 0.00 173.24 175.00 1mst h ARG 38 N 0.26 0.00 0.00 4.02 9.65 -1.97 -1.01 114.38 125.33 1mst h ARG 38 Ca -0.47 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.31 1mst h ARG 38 Cb 1.25 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.81 1mst h ARG 38 CO 0.55 0.00 -0.44 0.66 2.80 0.00 0.00 179.97 183.54 1mst h SER 39 N 0.00 0.00 -0.16 -3.80 4.64 -1.89 -3.30 113.55 109.03 1mst h SER 39 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1mst h SER 39 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1mst h SER 39 CO -0.00 0.44 0.00 0.00 -0.87 0.00 0.00 176.83 176.40 1mst n GLN 40 N -3.38 2.47 -2.80 4.77 6.02 -0.47 -3.94 117.38 120.05 1mst n GLN 40 Ca 0.01 -1.66 -0.36 0.00 -0.01 0.00 0.00 57.00 54.98 1mst n GLN 40 Cb 0.61 -1.14 -0.07 0.00 1.02 0.00 0.00 30.24 30.66 1mst n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mst s ALA 41 N -0.93 3.16 0.37 -1.58 0.00 -0.70 -4.84 121.76 117.25 1mst s ALA 41 Ca 0.12 0.47 -0.25 0.00 0.00 0.00 0.00 51.96 52.31 1mst s ALA 41 Cb 0.06 -3.16 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 1mst s ALA 41 CO 0.09 0.16 1.01 0.71 0.00 0.00 0.00 175.76 177.72 1mst s TYR 42 N -1.80 3.43 -0.01 0.00 1.51 -1.26 -4.70 117.35 114.53 1mst s TYR 42 Ca 0.54 1.69 0.01 0.00 -1.01 0.00 0.00 57.07 58.30 1mst s TYR 42 Cb -0.15 -3.04 0.01 0.00 -0.11 0.00 0.00 41.96 38.67 1mst s TYR 42 CO 0.20 -0.28 -0.01 0.21 -1.11 0.00 0.00 175.55 174.55 1mst s LYS 43 N -2.37 0.19 -0.04 -0.62 2.20 -1.09 -1.76 119.74 116.26 1mst s LYS 43 Ca 0.55 -0.03 0.02 0.00 -0.36 0.00 0.00 55.97 56.15 1mst s LYS 43 Cb -0.20 -0.24 0.01 0.00 -1.51 0.00 0.00 37.83 35.89 1mst s LYS 43 CO 0.25 0.00 -0.09 0.08 -0.36 0.00 0.00 175.35 175.23 1mst s VAL 44 N 0.22 0.83 0.08 4.02 1.01 -0.25 -0.81 120.40 125.49 1mst s VAL 44 Ca -0.02 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1mst s VAL 44 Cb -0.04 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1mst s VAL 44 CO -0.01 0.27 -0.12 0.42 0.00 0.00 0.00 175.10 175.66 1mst s THR 45 N 0.44 1.01 -0.16 3.92 -4.23 -0.06 -0.86 115.64 115.70 1mst s THR 45 Ca -0.07 -1.36 -0.11 0.00 -1.18 0.00 0.00 61.69 58.96 1mst s THR 45 Cb -0.11 -1.09 0.05 0.00 1.34 0.00 0.00 72.50 72.69 1mst s THR 45 CO 0.01 -0.33 0.40 0.00 -0.54 0.00 0.00 174.62 174.16 1mst s SER 47 N 0.98 -0.03 -0.03 0.00 1.04 -0.68 -1.35 113.70 113.62 1mst s SER 47 Ca -0.06 -0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.27 1mst s SER 47 Cb -0.07 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 1mst s SER 47 CO -0.08 -0.42 -0.18 -0.69 0.98 0.00 0.00 173.24 172.85 1mst s VAL 48 N -1.54 1.46 0.01 5.02 1.01 -1.26 -0.83 120.40 124.28 1mst s VAL 48 Ca -0.13 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1mst s VAL 48 Cb -0.06 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1mst s VAL 48 CO 0.02 0.42 0.05 0.00 0.00 0.00 0.00 175.10 175.58 1mst s ARG 49 N -0.21 0.36 -0.93 2.72 1.70 -0.64 -4.97 118.95 116.98 1mst s ARG 49 Ca 0.02 -0.45 -0.21 0.00 -0.47 0.00 0.00 55.73 54.61 1mst s ARG 49 Cb -0.09 0.14 0.09 0.00 -0.57 0.00 0.00 34.95 34.51 1mst s ARG 49 CO 0.01 -0.07 1.25 -1.14 -1.08 0.00 0.00 175.30 174.27 1mst s GLN 50 N -1.28 3.52 0.08 3.89 2.00 -1.26 -0.52 119.66 126.09 1mst s GLN 50 Ca -0.14 -1.30 -0.32 0.00 -2.00 0.00 0.00 55.36 51.60 1mst s GLN 50 Cb -0.08 -4.98 -0.17 0.00 0.80 0.00 0.00 33.01 28.58 1mst s GLN 50 CO 0.00 -1.98 1.63 0.66 -0.50 0.00 0.00 175.29 175.11 1mst h SER 51 N 9.38 -0.73 -5.03 6.67 4.64 -1.86 -3.45 113.55 123.16 1mst h SER 51 Ca 0.10 0.03 -0.39 0.00 -0.47 0.00 0.00 61.79 61.07 1mst h SER 51 Cb 1.02 0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 1mst h SER 51 CO 1.26 -0.49 -0.19 -0.24 -0.87 0.00 0.00 176.83 176.30 1mst n SER 52 N -5.44 2.20 0.23 4.97 2.88 -1.24 -5.00 113.62 112.22 1mst n SER 52 Ca -0.12 -2.27 0.12 0.00 -1.33 0.00 0.00 58.87 55.27 1mst n SER 52 Cb 0.34 -0.02 0.38 0.00 -0.75 0.00 0.00 64.21 64.16 1mst n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mst h ALA 53 N 0.72 0.96 -0.01 -1.46 0.00 -2.03 -3.29 119.26 114.14 1mst h ALA 53 Ca -0.23 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1mst h ALA 53 Cb 0.85 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1mst h ALA 53 CO 0.37 0.15 0.00 1.04 0.00 0.00 0.00 179.25 180.81 1mst n GLN 54 N -3.18 2.92 -4.30 0.00 6.02 -1.26 -4.99 117.38 112.60 1mst n GLN 54 Ca 0.02 -1.50 -0.17 0.00 -0.01 0.00 0.00 57.00 55.34 1mst n GLN 54 Cb 0.46 -1.01 -0.10 0.00 1.02 0.00 0.00 30.24 30.61 1mst n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1mst s ASN 55 N -0.98 2.21 0.00 1.08 0.02 -1.24 -1.01 114.94 115.02 1mst s ASN 55 Ca 0.01 -0.99 0.03 0.00 -1.02 0.00 0.00 52.86 50.89 1mst s ASN 55 Cb 0.00 -0.08 -0.01 0.00 0.02 0.00 0.00 41.25 41.18 1mst s ASN 55 CO 0.01 -0.23 -0.10 -0.13 0.02 0.00 0.00 177.10 176.67 1mst s ARG 56 N -3.57 0.79 -0.08 -0.60 0.52 -0.41 -2.99 118.95 112.60 1mst s ARG 56 Ca 0.19 -0.43 0.01 0.00 -0.52 0.00 0.00 55.73 54.98 1mst s ARG 56 Cb 0.00 -0.75 0.02 0.00 0.52 0.00 0.00 34.95 34.73 1mst s ARG 56 CO 0.04 0.20 -0.11 0.21 0.02 0.00 0.00 175.30 175.66 1mst s LYS 57 N -0.44 1.66 -0.15 3.54 2.20 0.32 -0.89 119.74 125.98 1mst s LYS 57 Ca 0.03 -0.37 -0.09 0.00 -0.36 0.00 0.00 55.97 55.17 1mst s LYS 57 Cb -0.05 -1.47 -0.05 0.00 -1.51 0.00 0.00 37.83 34.76 1mst s LYS 57 CO -0.00 -0.06 0.17 0.71 -0.36 0.00 0.00 175.35 175.80 1mst s TYR 58 N 0.98 3.52 -0.19 4.03 1.51 0.18 -1.62 117.35 125.75 1mst s TYR 58 Ca -0.09 0.49 0.01 0.00 -1.01 0.00 0.00 57.07 56.47 1mst s TYR 58 Cb -0.15 -2.08 0.03 0.00 -0.11 0.00 0.00 41.96 39.65 1mst s TYR 58 CO -0.00 0.51 -0.15 0.99 -1.11 0.00 0.00 175.55 175.79 1mst s THR 59 N -0.36 1.89 -0.05 -0.71 2.01 -0.01 -0.86 115.64 117.56 1mst s THR 59 Ca 0.13 -1.02 0.06 0.00 0.31 0.00 0.00 61.69 61.17 1mst s THR 59 Cb -0.12 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1mst s THR 59 CO 0.02 0.34 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.43 1mst s ILE 60 N 1.32 1.91 -0.01 1.82 1.01 0.06 -1.69 121.20 125.62 1mst s ILE 60 Ca 0.01 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1mst s ILE 60 Cb -0.15 -1.61 -0.00 0.00 0.01 0.00 0.00 42.46 40.70 1mst s ILE 60 CO -0.10 0.53 -0.06 -0.54 0.00 0.00 0.00 174.94 174.77 1mst s LYS 61 N -0.16 0.52 -0.01 2.79 1.02 -0.31 -0.88 119.74 122.71 1mst s LYS 61 Ca -0.02 -0.22 0.03 0.00 0.02 0.00 0.00 55.97 55.78 1mst s LYS 61 Cb -0.13 -0.51 -0.01 0.00 -0.52 0.00 0.00 37.83 36.67 1mst s LYS 61 CO 0.03 0.13 -0.11 0.08 -0.92 0.00 0.00 175.35 174.56 1mst s VAL 62 N -0.12 0.88 -0.16 3.17 1.01 -0.83 -0.88 120.40 123.48 1mst s VAL 62 Ca 0.02 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1mst s VAL 62 Cb -0.03 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.63 1mst s VAL 62 CO -0.00 0.25 -0.15 -1.61 0.00 0.00 0.00 175.10 173.59 1mst s GLU 63 N -0.19 2.46 -0.31 2.72 2.02 0.01 -0.93 118.70 124.49 1mst s GLU 63 Ca 0.03 -0.64 -0.06 0.00 0.02 0.00 0.00 54.97 54.33 1mst s GLU 63 Cb -0.05 -2.23 0.03 0.00 0.10 0.00 0.00 34.13 31.97 1mst s GLU 63 CO -0.00 -0.24 0.06 0.08 0.02 0.00 0.00 175.26 175.18 1mst s VAL 64 N 1.43 3.67 0.36 2.63 1.01 -0.54 -2.66 120.40 126.30 1mst s VAL 64 Ca 0.05 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 1mst s VAL 64 Cb -0.13 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 1mst s VAL 64 CO -0.11 -0.02 0.64 -2.16 0.00 0.00 0.00 175.10 173.46 1mst s PRO 65 N 1.42 3.63 -0.40 2.72 0.04 -1.26 -0.46 135.00 140.69 1mst s PRO 65 Ca 0.00 0.10 -0.04 0.00 0.04 0.00 0.00 61.00 61.10 1mst s PRO 65 Cb -0.18 -2.54 0.10 0.00 0.04 0.00 0.00 34.50 31.92 1mst s PRO 65 CO 0.01 0.07 0.20 0.21 0.04 0.00 0.00 177.00 177.53 1mst s LYS 66 N -3.93 2.19 0.46 4.56 2.47 0.08 -4.97 119.74 120.59 1mst s LYS 66 Ca 0.46 -1.68 -0.23 0.00 -1.56 0.00 0.00 55.97 52.96 1mst s LYS 66 Cb -0.10 -3.59 -0.07 0.00 -1.46 0.00 0.00 37.83 32.60 1mst s LYS 66 CO 0.34 -1.00 1.15 0.14 0.16 0.00 0.00 175.35 176.13 1mst s VAL 67 N 1.22 3.19 0.25 4.02 -7.23 -1.26 0.29 120.40 120.88 1mst s VAL 67 Ca 0.05 0.88 -0.21 0.00 -1.81 0.00 0.00 61.98 60.90 1mst s VAL 67 Cb -0.23 -3.44 0.03 0.00 0.56 0.00 0.00 36.38 33.30 1mst s VAL 67 CO -0.02 -0.02 0.67 0.00 -0.31 0.00 0.00 175.10 175.42 1mst s ALA 68 N -1.58 -1.21 -0.19 1.32 0.00 -0.72 -4.71 121.76 114.66 1mst s ALA 68 Ca 0.64 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1mst s ALA 68 Cb -0.27 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.74 1mst s ALA 68 CO 0.33 -0.97 -0.17 0.99 0.00 0.00 0.00 175.76 175.94 1mst s THR 69 N -3.89 2.24 -0.07 0.00 2.01 -1.26 -0.75 115.64 113.91 1mst s THR 69 Ca 0.10 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1mst s THR 69 Cb -0.05 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 1mst s THR 69 CO 0.03 0.49 -0.11 -1.58 -0.69 0.00 0.00 174.62 172.77 1mst s GLN 70 N 1.30 2.74 -0.47 4.92 0.74 -0.49 -4.90 119.66 123.51 1mst s GLN 70 Ca 0.04 -0.62 -0.20 0.00 0.05 0.00 0.00 55.36 54.62 1mst s GLN 70 Cb -0.14 -2.52 0.04 0.00 1.10 0.00 0.00 33.01 31.50 1mst s GLN 70 CO -0.11 0.58 0.67 0.99 -0.55 0.00 0.00 175.29 176.87 1mst s THR 71 N -0.61 4.80 -0.20 -0.34 2.01 -1.26 -0.65 115.64 119.39 1mst s THR 71 Ca 0.09 -0.08 -0.02 0.00 0.31 0.00 0.00 61.69 61.99 1mst s THR 71 Cb -0.11 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.13 1mst s THR 71 CO 0.01 -0.73 -0.11 -0.69 -0.69 0.00 0.00 174.62 172.42 1mst s VAL 72 N 2.87 2.79 -1.58 3.82 1.01 0.55 -4.61 120.40 125.25 1mst s VAL 72 Ca 0.21 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1mst s VAL 72 Cb -0.16 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1mst s VAL 72 CO 0.16 0.48 0.42 0.61 0.00 0.00 0.00 175.10 176.77 1mst n GLY 73 N 4.69 -0.48 2.73 4.51 0.00 -1.26 -1.57 105.19 113.81 1mst n GLY 73 Ca -0.19 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1mst n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mst n GLY 74 N -1.37 0.87 3.51 -0.02 0.00 -1.26 -5.02 105.19 101.89 1mst n GLY 74 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1mst n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mst s VAL 75 N -3.48 3.15 -0.23 1.61 1.01 -0.61 -5.07 120.40 116.78 1mst s VAL 75 Ca 0.00 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 60.88 1mst s VAL 75 Cb 0.00 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1mst s VAL 75 CO 0.00 0.44 0.59 -1.81 0.00 0.00 0.00 175.10 174.31 1mst s ASP 76 N -1.21 6.57 -0.03 3.32 1.11 -1.26 -0.33 116.67 124.84 1mst s ASP 76 Ca 0.14 0.69 0.07 0.00 0.18 0.00 0.00 52.55 53.63 1mst s ASP 76 Cb -0.11 -2.32 -0.02 0.00 1.07 0.00 0.00 42.92 41.55 1mst s ASP 76 CO 0.04 -0.30 -0.23 -0.76 1.18 0.00 0.00 175.17 175.10 1mst s LEU 77 N 2.19 2.04 0.00 1.23 1.43 0.18 -4.94 118.68 120.81 1mst s LEU 77 Ca 0.25 -0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 1mst s LEU 77 Cb -0.16 -1.22 -0.06 0.00 0.03 0.00 0.00 46.19 44.79 1mst s LEU 77 CO 0.09 0.27 1.42 -2.16 0.23 0.00 0.00 176.35 176.20 1mst s PRO 78 N -0.42 4.27 0.33 1.29 0.04 -1.26 -1.39 135.00 137.86 1mst s PRO 78 Ca 0.05 1.99 0.03 0.00 0.04 0.00 0.00 61.00 63.12 1mst s PRO 78 Cb -0.10 -3.58 -0.02 0.00 0.04 0.00 0.00 34.50 30.84 1mst s PRO 78 CO 0.00 -0.59 0.35 0.54 0.04 0.00 0.00 177.00 177.34 1mst s VAL 79 N 2.46 0.00 -0.19 -0.36 0.11 0.07 -4.75 120.40 117.74 1mst s VAL 79 Ca 0.65 -1.85 0.01 0.00 -2.93 0.00 0.00 61.98 57.86 1mst s VAL 79 Cb -0.32 -2.55 0.02 0.00 -1.53 0.00 0.00 36.38 32.00 1mst s VAL 79 CO 0.27 0.00 -0.19 0.00 -3.33 0.00 0.00 175.10 171.85 1mst s ALA 80 N -3.32 2.36 0.27 1.54 0.00 -1.25 -1.76 121.76 119.59 1mst s ALA 80 Ca 0.37 -1.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 1mst s ALA 80 Cb 0.02 -1.23 0.35 0.00 0.00 0.00 0.00 23.12 22.26 1mst s ALA 80 CO 0.24 -0.45 1.94 0.00 0.00 0.00 0.00 175.76 177.50 1mst h ALA 81 N 7.92 1.35 -2.21 0.00 0.00 -0.45 -3.46 119.26 122.41 1mst h ALA 81 Ca -0.43 -0.06 0.19 0.00 0.00 0.00 0.00 54.91 54.60 1mst h ALA 81 Cb 1.13 -0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 1mst h ALA 81 CO 0.62 0.60 0.53 1.67 0.00 0.00 0.00 179.25 182.67 1mst s TRP 82 N -6.03 -0.16 0.03 0.00 1.48 -1.24 -5.02 118.94 108.01 1mst s TRP 82 Ca -0.12 -0.09 0.03 0.00 -1.06 0.00 0.00 56.10 54.85 1mst s TRP 82 Cb 0.18 0.61 -0.02 0.00 -1.16 0.00 0.00 33.47 33.08 1mst s TRP 82 CO 0.81 -0.70 -0.08 1.03 -4.06 0.00 0.00 176.95 173.94 1mst s ARG 83 N -3.14 0.57 -0.09 3.25 0.52 -1.26 -0.75 118.95 118.06 1mst s ARG 83 Ca 0.11 -0.63 -0.03 0.00 -0.52 0.00 0.00 55.73 54.67 1mst s ARG 83 Cb -0.01 -0.44 -0.03 0.00 0.52 0.00 0.00 34.95 34.99 1mst s ARG 83 CO -0.01 0.10 0.03 0.45 0.02 0.00 0.00 175.30 175.89 1mst s SER 84 N -1.16 5.47 -0.16 0.23 0.15 0.39 -4.95 113.70 113.67 1mst s SER 84 Ca -0.05 0.20 0.01 0.00 0.70 0.00 0.00 55.95 56.81 1mst s SER 84 Cb -0.08 -1.59 0.01 0.00 -1.71 0.00 0.00 66.02 62.65 1mst s SER 84 CO 0.00 0.38 -0.18 -0.31 1.20 0.00 0.00 173.24 174.33 1mst s TYR 85 N -0.93 2.76 -0.15 3.44 2.02 -1.26 -1.47 117.35 121.75 1mst s TYR 85 Ca 0.14 -1.37 -0.07 0.00 -0.37 0.00 0.00 57.07 55.40 1mst s TYR 85 Cb -0.11 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.51 1mst s TYR 85 CO 0.03 -0.66 0.09 -1.17 -1.57 0.00 0.00 175.55 172.28 1mst s LEU 86 N 1.05 4.06 -0.16 -1.29 2.96 -0.11 -4.99 118.68 120.20 1mst s LEU 86 Ca -0.01 0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 54.12 1mst s LEU 86 Cb -0.14 -2.00 0.05 0.00 0.50 0.00 0.00 46.19 44.60 1mst s LEU 86 CO -0.06 0.29 0.06 0.21 -1.32 0.00 0.00 176.35 175.52 1mst s ASN 87 N -0.30 2.42 -0.02 3.68 3.84 -1.26 -1.96 114.94 121.34 1mst s ASN 87 Ca 0.10 -0.60 0.04 0.00 0.21 0.00 0.00 52.86 52.61 1mst s ASN 87 Cb -0.12 -0.41 -0.01 0.00 -0.55 0.00 0.00 41.25 40.17 1mst s ASN 87 CO 0.01 -0.31 -0.15 0.00 -2.79 0.00 0.00 177.10 173.87 1mst s MET 88 N 2.00 1.37 -0.13 0.43 0.23 -0.06 -5.02 119.30 118.14 1mst s MET 88 Ca 0.01 -0.52 0.02 0.00 -1.03 0.00 0.00 55.69 54.16 1mst s MET 88 Cb -0.16 -1.27 0.02 0.00 -1.53 0.00 0.00 34.83 31.89 1mst s MET 88 CO -0.08 0.26 -0.17 -1.21 -2.03 0.00 0.00 175.02 171.79 1mst s GLU 89 N -0.12 2.50 -0.21 3.16 2.02 -1.26 -0.76 118.70 124.03 1mst s GLU 89 Ca 0.01 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.36 1mst s GLU 89 Cb -0.08 -2.12 0.03 0.00 0.10 0.00 0.00 34.13 32.06 1mst s GLU 89 CO 0.01 -0.09 -0.16 -1.17 0.02 0.00 0.00 175.26 173.86 1mst s LEU 90 N 1.05 2.56 -0.26 1.80 2.96 -0.03 -4.96 118.68 121.79 1mst s LEU 90 Ca -0.04 -0.85 -0.09 0.00 -0.22 0.00 0.00 54.13 52.93 1mst s LEU 90 Cb -0.15 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1mst s LEU 90 CO -0.04 -0.06 0.12 -0.89 -1.32 0.00 0.00 176.35 174.16 1mst s THR 91 N 1.25 4.66 -0.10 3.68 2.01 -1.26 -0.65 115.64 125.23 1mst s THR 91 Ca 0.01 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 61.97 1mst s THR 91 Cb -0.15 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.16 1mst s THR 91 CO -0.10 0.29 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.28 1mst s ILE 92 N 1.66 1.88 0.57 1.82 1.01 -0.07 -4.95 121.20 123.12 1mst s ILE 92 Ca 0.06 -0.90 -0.19 0.00 0.00 0.00 0.00 60.65 59.62 1mst s ILE 92 Cb -0.15 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1mst s ILE 92 CO 0.06 0.52 1.15 -2.16 0.00 0.00 0.00 174.94 174.51 1mst s PRO 93 N 0.53 3.17 0.25 2.79 0.04 -1.26 -1.29 135.00 139.23 1mst s PRO 93 Ca -0.15 1.65 0.21 0.00 0.04 0.00 0.00 61.00 62.76 1mst s PRO 93 Cb -0.17 -1.98 0.98 0.00 0.04 0.00 0.00 34.50 33.37 1mst s PRO 93 CO 0.05 -1.00 1.65 0.44 0.04 0.00 0.00 177.00 178.18 1mst n ILE 94 N -1.51 0.96 1.32 0.56 -5.35 -0.18 -2.13 119.36 113.02 1mst n ILE 94 Ca 0.12 0.41 0.14 0.00 -0.27 0.00 0.00 62.75 63.15 1mst n ILE 94 Cb 0.51 -1.35 0.66 0.00 -1.74 0.00 0.00 39.64 37.72 1mst n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1mst n PHE 95 N -2.17 0.00 -2.29 4.28 3.72 -1.26 -4.82 117.46 114.92 1mst n PHE 95 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 1mst n PHE 95 Cb 0.15 -0.30 -0.03 0.00 -0.94 0.00 0.00 39.48 38.37 1mst n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mst s ALA 96 N -2.65 3.60 0.94 4.37 0.00 -0.90 -5.01 121.76 122.10 1mst s ALA 96 Ca 0.25 0.72 -0.15 0.00 0.00 0.00 0.00 51.96 52.78 1mst s ALA 96 Cb 0.20 -3.61 0.18 0.00 0.00 0.00 0.00 23.12 19.88 1mst s ALA 96 CO 0.49 -1.04 1.28 0.95 0.00 0.00 0.00 175.76 177.44 1mst s THR 97 N 2.96 1.98 0.26 0.00 -4.23 -1.26 -4.83 115.64 110.52 1mst s THR 97 Ca 0.61 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.08 1mst s THR 97 Cb -0.28 -2.98 0.20 0.00 1.34 0.00 0.00 72.50 70.79 1mst s THR 97 CO 0.23 0.00 1.87 0.78 -0.54 0.00 0.00 174.62 176.96 1mst h ASN 98 N -1.56 0.99 0.30 3.99 2.35 -1.99 -1.08 115.58 118.59 1mst h ASN 98 Ca -0.45 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.13 1mst h ASN 98 Cb 1.26 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 1mst h ASN 98 CO 0.44 0.82 -0.33 0.77 -1.65 0.00 0.00 177.43 177.48 1mst h SER 99 N 1.10 0.05 -0.40 5.81 4.64 -2.00 -0.41 113.55 122.34 1mst h SER 99 Ca 0.27 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.47 1mst h SER 99 Cb 0.07 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1mst h SER 99 CO -0.04 0.38 -0.16 0.44 -0.87 0.00 0.00 176.83 176.58 1mst h ASP 100 N 0.04 0.83 -0.15 4.97 3.32 -1.65 -2.98 116.42 120.80 1mst h ASP 100 Ca 0.00 -0.39 -0.11 0.00 0.02 0.00 0.00 57.03 56.55 1mst h ASP 100 Cb 0.61 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1mst h ASP 100 CO 0.04 1.03 -0.26 0.00 -1.72 0.00 0.00 179.24 178.34 1mst h GLU 102 N 0.54 0.03 -0.56 0.00 5.08 -1.00 -1.02 114.58 117.66 1mst h GLU 102 Ca 0.07 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1mst h GLU 102 Cb 0.73 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1mst h GLU 102 CO 0.06 0.12 -0.07 1.25 -1.00 0.00 0.00 179.01 179.37 1mst h LEU 103 N 0.03 1.02 -0.16 1.33 5.85 -1.34 -0.60 115.31 121.44 1mst h LEU 103 Ca 0.01 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1mst h LEU 103 Cb 0.16 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1mst h LEU 103 CO 0.01 1.10 0.05 0.40 -0.34 0.00 0.00 178.44 179.66 1mst h ILE 104 N 0.92 1.19 -0.34 4.05 2.04 -1.12 -0.68 117.51 123.57 1mst h ILE 104 Ca 0.15 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.45 1mst h ILE 104 Cb 0.62 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1mst h ILE 104 CO 0.04 0.18 0.18 0.58 0.00 0.00 0.00 178.15 179.13 1mst h VAL 105 N 0.08 1.00 -0.69 1.67 2.07 -1.19 -1.17 116.25 118.03 1mst h VAL 105 Ca 0.05 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1mst h VAL 105 Cb 0.23 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1mst h VAL 105 CO -0.00 0.07 0.37 0.11 0.02 0.00 0.00 177.57 178.14 1mst h LYS 106 N 0.37 0.96 -0.66 1.57 1.57 -0.93 -1.49 116.57 117.95 1mst h LYS 106 Ca 0.14 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1mst h LYS 106 Cb 0.04 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1mst h LYS 106 CO -0.09 0.71 0.17 0.00 -0.57 0.00 0.00 179.45 179.68 1mst h ALA 107 N 1.44 0.87 -0.64 3.86 0.00 -0.45 0.62 119.26 124.97 1mst h ALA 107 Ca 0.24 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1mst h ALA 107 Cb 0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1mst h ALA 107 CO -0.04 0.58 0.13 0.52 0.00 0.00 0.00 179.25 180.44 1mst h MET 108 N 0.98 1.04 -0.03 0.00 2.86 -0.63 -0.36 114.93 118.79 1mst h MET 108 Ca 0.21 -0.26 -0.16 0.00 -2.06 0.00 0.00 59.70 57.42 1mst h MET 108 Cb 0.35 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1mst h MET 108 CO 0.00 0.95 -0.70 -0.56 1.06 0.00 0.00 176.91 177.66 1mst h GLN 109 N 0.95 0.18 -0.49 1.72 3.07 -1.02 -3.04 115.11 116.47 1mst h GLN 109 Ca 0.20 -0.14 -0.12 0.00 0.09 0.00 0.00 58.65 58.67 1mst h GLN 109 Cb 0.40 0.03 -0.02 0.00 0.08 0.00 0.00 27.48 27.97 1mst h GLN 109 CO 0.01 0.80 -0.16 0.78 0.09 0.00 0.00 178.83 180.35 1mst h GLY 110 N 1.71 1.04 0.54 0.06 0.00 -0.65 -2.30 103.07 103.47 1mst h GLY 110 Ca -0.02 -0.88 0.10 0.00 0.00 0.00 0.00 47.33 46.53 1mst h GLY 110 CO 0.10 0.80 0.55 -2.00 0.00 0.00 0.00 176.54 175.99 1mst h LEU 111 N 0.85 0.80 -2.34 3.11 5.85 -0.96 -2.82 115.31 119.80 1mst h LEU 111 Ca 0.12 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1mst h LEU 111 Cb 0.72 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1mst h LEU 111 CO 0.06 0.46 0.00 0.18 -0.34 0.00 0.00 178.44 178.79 1mst n LEU 112 N -4.67 3.46 -4.77 2.25 4.77 -1.12 -4.42 117.00 112.50 1mst n LEU 112 Ca 0.15 -1.59 -0.40 0.00 -0.03 0.00 0.00 56.01 54.14 1mst n LEU 112 Cb 0.29 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1mst n LEU 112 CO 0.28 0.80 1.07 -0.75 -1.33 0.00 0.00 177.39 177.45 1mst s LYS 113 N -1.35 3.88 0.21 3.23 2.20 -0.88 -4.81 119.74 122.23 1mst s LYS 113 Ca 0.42 2.42 -0.32 0.00 -0.36 0.00 0.00 55.97 58.13 1mst s LYS 113 Cb 0.23 -2.78 -0.14 0.00 -1.51 0.00 0.00 37.83 33.63 1mst s LYS 113 CO 0.31 -0.66 1.34 -0.25 -0.36 0.00 0.00 175.35 175.73 1mst n ASP 114 N 0.09 2.33 0.00 1.43 8.00 -1.26 -1.89 116.55 125.25 1mst n ASP 114 Ca 0.03 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.67 1mst n ASP 114 Cb 0.41 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 1mst n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mst n GLY 115 N 2.16 3.34 3.83 0.44 0.00 -1.26 -5.05 105.19 108.64 1mst n GLY 115 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1mst n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mst s ASN 116 N -0.90 5.77 0.12 1.61 0.01 -0.79 -4.89 114.94 115.87 1mst s ASN 116 Ca 0.00 1.64 -0.27 0.00 -0.71 0.00 0.00 52.86 53.51 1mst s ASN 116 Cb 0.00 -2.50 -0.08 0.00 0.41 0.00 0.00 41.25 39.08 1mst s ASN 116 CO 0.00 -1.18 1.46 -0.65 -1.51 0.00 0.00 177.10 175.22 1mst h PRO 117 N -0.15 -0.20 0.22 -0.60 0.11 -1.89 -2.65 132.00 126.85 1mst h PRO 117 Ca -0.45 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.68 1mst h PRO 117 Cb 1.21 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1mst h PRO 117 CO 0.58 -0.13 -0.40 0.82 -0.21 0.00 0.00 178.00 178.66 1mst h ILE 118 N -0.20 0.19 0.00 4.15 2.04 -1.94 -1.17 117.51 120.58 1mst h ILE 118 Ca 0.09 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 1mst h ILE 118 Cb 0.44 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1mst h ILE 118 CO -0.62 0.00 -0.10 1.55 0.00 0.00 0.00 178.15 178.98 1mst h PRO 119 N -0.70 0.00 -0.41 2.37 0.13 -1.77 -1.94 132.00 129.68 1mst h PRO 119 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 1mst h PRO 119 Cb 0.68 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 1mst h PRO 119 CO -0.17 0.10 -0.06 0.77 -0.23 0.00 0.00 178.00 178.41 1mst h SER 120 N 0.00 0.77 0.10 1.44 0.02 -1.02 -1.65 113.55 113.21 1mst h SER 120 Ca -0.00 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 1mst h SER 120 Cb 0.19 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1mst h SER 120 CO 0.01 0.93 -0.05 0.00 -1.14 0.00 0.00 176.83 176.58 1mst h ALA 121 N 0.87 -0.14 -0.33 3.77 0.00 -0.61 -2.72 119.26 120.10 1mst h ALA 121 Ca 0.11 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1mst h ALA 121 Cb 0.57 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1mst h ALA 121 CO 0.03 -0.47 0.00 0.82 0.00 0.00 0.00 179.25 179.63 1mst h ILE 122 N -0.35 0.76 0.00 0.00 2.04 -1.36 -0.59 117.51 118.02 1mst h ILE 122 Ca -0.01 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1mst h ILE 122 Cb 0.29 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1mst h ILE 122 CO 0.02 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.19 1mst n ALA 123 N -2.47 1.42 -0.30 1.87 0.00 -0.62 -2.42 120.51 117.99 1mst n ALA 123 Ca 0.01 0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.55 1mst n ALA 123 Cb 0.17 -1.26 0.12 0.00 0.00 0.00 0.00 19.45 18.48 1mst n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mst n ALA 124 N -1.65 2.24 -3.81 0.00 0.00 -0.30 -4.97 120.51 112.02 1mst n ALA 124 Ca 0.01 -1.37 -0.24 0.00 0.00 0.00 0.00 53.44 51.85 1mst n ALA 124 Cb 0.13 -0.33 0.01 0.00 0.00 0.00 0.00 19.45 19.26 1mst n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mst n ASN 125 N -0.09 -1.17 -4.26 0.00 3.02 -0.96 -4.97 115.26 106.84 1mst n ASN 125 Ca 0.10 -0.88 -0.14 0.00 -0.03 0.00 0.00 54.58 53.62 1mst n ASN 125 Cb 0.45 -3.69 -0.10 0.00 -0.61 0.00 0.00 39.78 35.83 1mst n ASN 125 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1mst s SER 126 N -4.27 1.50 0.23 6.41 0.15 -0.75 -5.06 113.70 111.91 1mst s SER 126 Ca 0.06 -1.13 0.04 0.00 0.70 0.00 0.00 55.95 55.62 1mst s SER 126 Cb -0.03 0.06 0.04 0.00 -1.71 0.00 0.00 66.02 64.37 1mst s SER 126 CO 0.84 -0.49 0.31 0.61 1.20 0.00 0.00 173.24 175.71 1mst n GLY 127 N -0.26 2.05 3.78 9.45 0.00 -1.26 -4.30 105.19 114.65 1mst n GLY 127 Ca -0.07 -2.17 -0.38 0.00 0.00 0.00 0.00 46.02 43.39 1mst n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mst s ILE 128 N -0.53 5.12 0.00 -0.61 1.09 -1.26 -4.85 121.20 120.16 1mst s ILE 128 Ca 0.23 0.84 0.00 0.00 -1.10 0.00 0.00 60.65 60.62 1mst s ILE 128 Cb -0.02 -3.74 0.00 0.00 -1.06 0.00 0.00 42.46 37.65 1mst s ILE 128 CO 0.15 0.47 0.00 0.00 -0.10 0.00 0.00 174.94 175.46