#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6msf n SER 2 N 0.00 0.00 -0.46 0.00 2.88 -1.26 -5.04 113.62 109.74 6msf n SER 2 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 6msf n SER 2 Cb 0.00 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 63.91 6msf n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 6msf n ASN 3 N 0.00 1.51 -4.01 -3.46 0.23 -1.26 -4.59 115.26 103.68 6msf n ASN 3 Ca 0.00 -1.40 -0.43 0.00 -0.53 0.00 0.00 54.58 52.22 6msf n ASN 3 Cb 0.00 0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 6msf n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 6msf n PHE 4 N 0.07 3.73 -4.49 -2.53 -0.00 -1.26 -4.91 117.46 108.06 6msf n PHE 4 Ca 0.17 -2.94 -0.27 0.00 -0.00 0.00 0.00 57.45 54.41 6msf n PHE 4 Cb 0.37 -2.34 -0.10 0.00 -0.00 0.00 0.00 39.48 37.41 6msf n PHE 4 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 6msf s THR 5 N 2.33 2.10 0.52 -2.13 -4.23 -1.26 -4.85 115.64 108.11 6msf s THR 5 Ca 0.45 -1.94 -0.13 0.00 -1.18 0.00 0.00 61.69 58.90 6msf s THR 5 Cb 0.09 -2.98 -0.06 0.00 1.34 0.00 0.00 72.50 70.89 6msf s THR 5 CO -0.02 -0.01 0.93 0.00 -0.54 0.00 0.00 174.62 174.98 6msf s GLN 6 N -3.75 3.78 0.18 3.99 -2.07 -1.26 -4.57 119.66 115.95 6msf s GLN 6 Ca 0.36 0.73 -0.18 0.00 -1.82 0.00 0.00 55.36 54.45 6msf s GLN 6 Cb 0.08 -2.20 0.04 0.00 -1.09 0.00 0.00 33.01 29.84 6msf s GLN 6 CO 0.19 -0.30 0.52 -0.59 -1.32 0.00 0.00 175.29 173.79 6msf s PHE 7 N -2.73 -0.21 -0.28 9.60 -0.71 -0.58 -5.01 117.98 118.06 6msf s PHE 7 Ca 0.55 -0.11 -0.17 0.00 -1.04 0.00 0.00 56.93 56.16 6msf s PHE 7 Cb -0.10 0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 42.08 6msf s PHE 7 CO 0.39 -0.87 0.48 0.14 -1.34 0.00 0.00 175.22 174.01 6msf s VAL 8 N -3.84 5.09 0.02 -2.49 -7.23 -1.26 -0.47 120.40 110.22 6msf s VAL 8 Ca 0.06 0.72 -0.17 0.00 -1.81 0.00 0.00 61.98 60.78 6msf s VAL 8 Cb -0.01 -3.81 -0.30 0.00 0.56 0.00 0.00 36.38 32.82 6msf s VAL 8 CO -0.06 0.06 1.04 0.25 -0.31 0.00 0.00 175.10 176.07 6msf h LEU 9 N 8.78 0.73 -7.88 1.32 5.85 -1.22 -3.43 115.31 119.47 6msf h LEU 9 Ca -0.29 -0.86 -0.65 0.00 0.84 0.00 0.00 57.88 56.91 6msf h LEU 9 Cb 1.14 -0.23 -0.37 0.00 0.37 0.00 0.00 40.66 41.58 6msf h LEU 9 CO 0.70 1.52 -0.82 -0.69 -0.34 0.00 0.00 178.44 178.82 6msf s VAL 10 N -2.82 1.96 -0.40 1.05 1.01 -0.78 -5.00 120.40 115.41 6msf s VAL 10 Ca -0.11 -1.28 -0.19 0.00 0.00 0.00 0.00 61.98 60.40 6msf s VAL 10 Cb 0.04 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.43 6msf s VAL 10 CO 0.90 0.15 0.57 -0.62 0.00 0.00 0.00 175.10 176.09 6msf s ASP 11 N 1.24 6.30 -0.24 3.32 -1.08 -1.26 -1.33 116.67 123.62 6msf s ASP 11 Ca -0.04 -0.28 0.12 0.00 -0.52 0.00 0.00 52.55 51.83 6msf s ASP 11 Cb -0.17 -2.29 0.48 0.00 -1.46 0.00 0.00 42.92 39.48 6msf s ASP 11 CO -0.08 -0.64 1.39 0.59 0.52 0.00 0.00 175.17 176.95 6msf n ASN 12 N 5.98 2.66 -0.12 -0.34 3.02 -1.26 -4.94 115.26 120.25 6msf n ASN 12 Ca -0.04 -3.56 0.00 0.00 -0.03 0.00 0.00 54.58 50.96 6msf n ASN 12 Cb 0.48 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 6msf n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 6msf n GLY 13 N -1.03 0.71 3.45 7.41 0.00 -1.26 -3.91 105.19 110.56 6msf n GLY 13 Ca 0.27 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.58 6msf n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 6msf n GLY 14 N -0.84 3.01 3.02 -0.02 0.00 -1.26 -4.95 105.19 104.15 6msf n GLY 14 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 6msf n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 6msf s THR 15 N -1.43 2.17 0.00 2.61 -4.23 -1.25 -4.52 115.64 108.98 6msf s THR 15 Ca 0.00 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 6msf s THR 15 Cb 0.00 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.33 6msf s THR 15 CO 0.00 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 6msf n GLY 16 N 4.34 1.01 3.75 3.99 0.00 -1.26 -4.78 105.19 112.24 6msf n GLY 16 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 6msf n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 6msf s ASP 17 N -2.00 6.96 -0.41 1.61 1.11 -1.26 -4.62 116.67 118.05 6msf s ASP 17 Ca 0.00 2.43 -0.14 0.00 0.18 0.00 0.00 52.55 55.03 6msf s ASP 17 Cb 0.00 -2.62 0.04 0.00 1.07 0.00 0.00 42.92 41.40 6msf s ASP 17 CO 0.00 -0.43 0.29 -0.69 1.18 0.00 0.00 175.17 175.52 6msf s VAL 18 N -0.53 4.98 -0.01 -1.27 1.01 -0.44 -4.99 120.40 119.14 6msf s VAL 18 Ca 0.51 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.64 6msf s VAL 18 Cb -0.36 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 6msf s VAL 18 CO 0.43 -0.36 0.02 0.28 0.00 0.00 0.00 175.10 175.46 6msf s THR 19 N 1.62 4.29 0.01 3.92 -1.32 -1.26 -0.63 115.64 122.26 6msf s THR 19 Ca 0.04 -0.51 0.08 0.00 -1.21 0.00 0.00 61.69 60.08 6msf s THR 19 Cb -0.20 -2.91 -0.02 0.00 -1.51 0.00 0.00 72.50 67.86 6msf s THR 19 CO 0.08 0.40 -0.24 0.54 -2.21 0.00 0.00 174.62 173.19 6msf s VAL 20 N -1.08 1.90 0.12 5.08 0.11 0.39 -4.21 120.40 122.70 6msf s VAL 20 Ca 0.19 -1.16 0.05 0.00 -2.93 0.00 0.00 61.98 58.13 6msf s VAL 20 Cb -0.12 -1.61 -0.04 0.00 -1.53 0.00 0.00 36.38 33.09 6msf s VAL 20 CO 0.10 0.41 -0.13 0.00 -3.33 0.00 0.00 175.10 172.15 6msf s ALA 21 N -0.68 1.39 0.14 1.54 0.00 0.20 -1.53 121.76 122.82 6msf s ALA 21 Ca 0.10 -1.29 -0.35 0.00 0.00 0.00 0.00 51.96 50.42 6msf s ALA 21 Cb -0.09 -0.04 -0.15 0.00 0.00 0.00 0.00 23.12 22.85 6msf s ALA 21 CO 0.01 0.04 1.52 -2.30 0.00 0.00 0.00 175.76 175.03 6msf n PRO 22 N 0.46 1.89 0.00 0.00 -0.02 -1.26 -1.07 135.00 135.00 6msf n PRO 22 Ca -0.15 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 6msf n PRO 22 Cb 0.58 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 6msf n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 6msf n SER 23 N 3.21 0.54 -3.60 2.55 3.41 0.64 -4.85 113.62 115.50 6msf n SER 23 Ca 0.17 -0.12 -0.07 0.00 -0.26 0.00 0.00 58.87 58.59 6msf n SER 23 Cb 0.26 0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 64.52 6msf n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 6msf s ASN 24 N -0.46 -0.23 0.00 4.04 3.84 -1.11 -4.98 114.94 116.05 6msf s ASN 24 Ca 0.00 0.24 0.00 0.00 0.21 0.00 0.00 52.86 53.31 6msf s ASN 24 Cb 0.00 0.19 0.00 0.00 -0.55 0.00 0.00 41.25 40.89 6msf s ASN 24 CO 0.00 -0.21 0.80 0.33 -2.79 0.00 0.00 177.10 175.23 6msf n PHE 25 N 0.61 0.00 -2.04 0.43 -0.00 -1.25 0.19 117.46 115.39 6msf n PHE 25 Ca -0.06 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.98 6msf n PHE 25 Cb 0.58 -0.02 -0.02 0.00 -0.00 0.00 0.00 39.48 40.02 6msf n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 6msf s ALA 26 N 0.00 3.56 -1.54 3.13 0.00 -1.26 -2.87 121.76 122.78 6msf s ALA 26 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.28 6msf s ALA 26 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 6msf s ALA 26 CO 0.00 -0.72 0.00 0.09 0.00 0.00 0.00 175.76 175.13 6msf n ASN 27 N 1.38 -5.05 -0.59 0.00 3.02 -1.26 -2.81 115.26 109.96 6msf n ASN 27 Ca 0.03 0.08 -0.08 0.00 -0.03 0.00 0.00 54.58 54.58 6msf n ASN 27 Cb 0.41 -4.12 -0.03 0.00 -0.61 0.00 0.00 39.78 35.42 6msf n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 6msf n GLY 28 N -0.99 0.92 3.24 7.41 0.00 -1.14 -4.98 105.19 109.65 6msf n GLY 28 Ca -0.20 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 6msf n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 6msf s VAL 29 N -2.11 3.49 0.12 1.61 1.01 -1.12 -4.66 120.40 118.74 6msf s VAL 29 Ca 0.00 -1.23 -0.30 0.00 0.00 0.00 0.00 61.98 60.44 6msf s VAL 29 Cb 0.00 -2.99 -0.07 0.00 0.00 0.00 0.00 36.38 33.32 6msf s VAL 29 CO 0.00 -0.16 1.21 0.00 0.00 0.00 0.00 175.10 176.15 6msf s ALA 30 N 1.35 3.42 0.02 5.51 0.00 -0.44 -3.93 121.76 127.69 6msf s ALA 30 Ca -0.03 0.91 0.04 0.00 0.00 0.00 0.00 51.96 52.88 6msf s ALA 30 Cb -0.20 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 6msf s ALA 30 CO 0.01 -0.41 -0.13 -2.00 0.00 0.00 0.00 175.76 173.23 6msf s GLU 31 N 0.48 0.95 0.08 0.00 2.12 0.13 -1.30 118.70 121.16 6msf s GLU 31 Ca 0.56 -0.61 0.05 0.00 0.36 0.00 0.00 54.97 55.34 6msf s GLU 31 Cb -0.31 -0.93 -0.03 0.00 0.26 0.00 0.00 34.13 33.12 6msf s GLU 31 CO 0.32 0.24 -0.15 -1.58 -0.54 0.00 0.00 175.26 173.56 6msf s TRP 32 N -0.61 1.27 0.07 5.30 0.51 0.29 -0.26 118.94 125.51 6msf s TRP 32 Ca 0.03 -0.46 -0.09 0.00 -2.12 0.00 0.00 56.10 53.45 6msf s TRP 32 Cb -0.06 -0.71 0.00 0.00 -0.81 0.00 0.00 33.47 31.89 6msf s TRP 32 CO 0.00 0.07 0.19 0.96 -0.51 0.00 0.00 176.95 177.67 6msf s ILE 33 N -1.32 0.13 0.51 2.03 -4.36 -0.23 -1.48 121.20 116.48 6msf s ILE 33 Ca -0.01 -1.08 -0.09 0.00 -0.26 0.00 0.00 60.65 59.21 6msf s ILE 33 Cb -0.10 -1.19 -0.05 0.00 1.25 0.00 0.00 42.46 42.37 6msf s ILE 33 CO 0.02 -0.60 0.88 -0.94 0.24 0.00 0.00 174.94 174.54 6msf s SER 34 N -2.60 6.36 -0.69 4.36 1.04 -0.94 -0.63 113.70 120.60 6msf s SER 34 Ca 0.02 1.19 -0.18 0.00 0.48 0.00 0.00 55.95 57.46 6msf s SER 34 Cb 0.03 -2.36 -0.14 0.00 0.10 0.00 0.00 66.02 63.64 6msf s SER 34 CO -0.09 -0.62 1.89 -0.24 0.98 0.00 0.00 173.24 175.16 6msf n SER 35 N -2.09 2.82 -3.16 7.02 2.88 -1.26 -4.72 113.62 115.10 6msf n SER 35 Ca 0.03 -2.54 -0.19 0.00 -1.33 0.00 0.00 58.87 54.85 6msf n SER 35 Cb 0.54 -1.02 -0.06 0.00 -0.75 0.00 0.00 64.21 62.93 6msf n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 6msf n ASN 36 N 6.69 0.37 -4.79 -3.46 4.13 -1.26 -5.11 115.26 111.83 6msf n ASN 36 Ca 0.45 -2.79 -0.36 0.00 1.68 0.00 0.00 54.58 53.56 6msf n ASN 36 Cb 0.32 1.09 -0.04 0.00 -1.54 0.00 0.00 39.78 39.61 6msf n ASN 36 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 6msf s SER 37 N -3.00 6.54 0.60 6.41 1.04 -1.26 -4.81 113.70 119.22 6msf s SER 37 Ca 0.24 2.02 0.29 0.00 0.48 0.00 0.00 55.95 58.98 6msf s SER 37 Cb 0.01 -2.58 1.57 0.00 0.10 0.00 0.00 66.02 65.13 6msf s SER 37 CO 0.17 -0.64 1.97 -0.09 0.98 0.00 0.00 173.24 175.62 6msf h ARG 38 N 2.09 0.00 0.00 4.02 9.65 -1.97 0.52 114.38 128.69 6msf h ARG 38 Ca -0.49 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 6msf h ARG 38 Cb 1.22 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 6msf h ARG 38 CO 0.61 0.00 0.00 0.66 2.80 0.00 0.00 179.97 184.04 6msf h SER 39 N 0.00 0.00 -0.03 -3.80 4.64 -1.89 -3.30 113.55 109.16 6msf h SER 39 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 6msf h SER 39 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 6msf h SER 39 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 6msf n GLN 40 N -2.99 2.79 -2.61 4.77 6.02 0.09 -3.82 117.38 121.62 6msf n GLN 40 Ca 0.04 -1.68 -0.31 0.00 -0.01 0.00 0.00 57.00 55.04 6msf n GLN 40 Cb 0.51 -1.09 -0.03 0.00 1.02 0.00 0.00 30.24 30.66 6msf n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 6msf s ALA 41 N -1.24 3.22 0.13 -1.58 0.00 -0.68 -4.83 121.76 116.78 6msf s ALA 41 Ca 0.06 -0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.73 6msf s ALA 41 Cb 0.05 -2.90 -0.07 0.00 0.00 0.00 0.00 23.12 20.20 6msf s ALA 41 CO 0.02 -0.14 0.77 0.71 0.00 0.00 0.00 175.76 177.11 6msf s TYR 42 N -2.52 3.86 -0.03 0.00 1.51 -1.26 -4.59 117.35 114.31 6msf s TYR 42 Ca 0.55 1.59 0.03 0.00 -1.01 0.00 0.00 57.07 58.22 6msf s TYR 42 Cb -0.10 -2.78 0.00 0.00 -0.11 0.00 0.00 41.96 38.97 6msf s TYR 42 CO 0.32 0.45 -0.12 0.21 -1.11 0.00 0.00 175.55 175.31 6msf s LYS 43 N -0.85 1.27 -0.05 -0.62 2.20 -1.02 -2.21 119.74 118.45 6msf s LYS 43 Ca 0.36 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.56 6msf s LYS 43 Cb -0.22 -1.15 0.02 0.00 -1.51 0.00 0.00 37.83 34.97 6msf s LYS 43 CO 0.25 0.17 -0.07 0.08 -0.36 0.00 0.00 175.35 175.43 6msf s VAL 44 N 0.11 0.72 0.08 4.02 1.01 -0.55 -0.45 120.40 125.35 6msf s VAL 44 Ca -0.03 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.78 6msf s VAL 44 Cb -0.09 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 6msf s VAL 44 CO 0.01 0.27 -0.14 0.42 0.00 0.00 0.00 175.10 175.66 6msf s THR 45 N 0.90 1.12 -0.08 3.92 -4.23 -0.04 -0.55 115.64 116.67 6msf s THR 45 Ca -0.11 -1.40 -0.12 0.00 -1.18 0.00 0.00 61.69 58.88 6msf s THR 45 Cb -0.15 -1.16 0.03 0.00 1.34 0.00 0.00 72.50 72.56 6msf s THR 45 CO 0.01 -0.29 0.31 0.00 -0.54 0.00 0.00 174.62 174.10 6msf s SER 47 N -0.31 -0.49 -0.05 0.00 1.04 -0.30 -1.32 113.70 112.26 6msf s SER 47 Ca -0.04 0.72 0.05 0.00 0.48 0.00 0.00 55.95 57.16 6msf s SER 47 Cb -0.03 0.74 -0.01 0.00 0.10 0.00 0.00 66.02 66.82 6msf s SER 47 CO 0.02 -0.37 -0.21 -0.69 0.98 0.00 0.00 173.24 172.96 6msf s VAL 48 N -0.55 1.71 0.05 5.02 1.01 -1.26 0.00 120.40 126.38 6msf s VAL 48 Ca -0.07 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 6msf s VAL 48 Cb -0.03 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 6msf s VAL 48 CO 0.04 0.48 -0.04 0.00 0.00 0.00 0.00 175.10 175.59 6msf s ARG 49 N -0.01 0.54 -0.98 2.72 1.70 -0.56 -4.97 118.95 117.38 6msf s ARG 49 Ca -0.05 -1.01 -0.17 0.00 -0.47 0.00 0.00 55.73 54.03 6msf s ARG 49 Cb -0.13 0.08 0.15 0.00 -0.57 0.00 0.00 34.95 34.48 6msf s ARG 49 CO 0.03 -0.06 1.17 -1.14 -1.08 0.00 0.00 175.30 174.21 6msf s GLN 50 N -2.94 3.72 0.13 3.89 2.00 -1.26 -0.44 119.66 124.75 6msf s GLN 50 Ca -0.01 -2.01 -0.25 0.00 -2.00 0.00 0.00 55.36 51.08 6msf s GLN 50 Cb 0.00 -4.91 -0.03 0.00 0.80 0.00 0.00 33.01 28.88 6msf s GLN 50 CO -0.06 -1.73 1.62 0.66 -0.50 0.00 0.00 175.29 175.29 6msf h SER 51 N 8.36 -0.86 -3.47 6.67 4.64 -1.84 -3.45 113.55 123.60 6msf h SER 51 Ca 0.19 0.12 -0.13 0.00 -0.47 0.00 0.00 61.79 61.50 6msf h SER 51 Cb 0.99 0.36 -0.02 0.00 -0.31 0.00 0.00 62.40 63.42 6msf h SER 51 CO 1.11 -0.34 -0.09 -1.54 -0.87 0.00 0.00 176.83 175.10 6msf n SER 52 N -5.39 2.18 0.20 4.97 3.41 -1.22 -4.97 113.62 112.80 6msf n SER 52 Ca -0.04 -1.44 0.07 0.00 -0.26 0.00 0.00 58.87 57.20 6msf n SER 52 Cb 0.31 0.06 0.36 0.00 -0.26 0.00 0.00 64.21 64.68 6msf n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 6msf h ALA 53 N 1.02 0.98 0.00 7.33 0.00 -2.04 -3.28 119.26 123.28 6msf h ALA 53 Ca -0.08 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.53 6msf h ALA 53 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 6msf h ALA 53 CO 0.14 0.41 -0.01 1.04 0.00 0.00 0.00 179.25 180.83 6msf n GLN 54 N -3.46 2.40 -4.25 0.00 6.02 -1.26 -4.99 117.38 111.83 6msf n GLN 54 Ca 0.00 -1.74 -0.17 0.00 -0.01 0.00 0.00 57.00 55.09 6msf n GLN 54 Cb 0.50 -1.11 -0.11 0.00 1.02 0.00 0.00 30.24 30.54 6msf n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 6msf s ASN 55 N -1.45 1.99 -0.01 1.08 0.02 -1.24 -1.46 114.94 113.87 6msf s ASN 55 Ca 0.08 -0.90 0.03 0.00 -1.02 0.00 0.00 52.86 51.06 6msf s ASN 55 Cb 0.07 -0.06 -0.01 0.00 0.02 0.00 0.00 41.25 41.28 6msf s ASN 55 CO 0.01 -0.21 -0.11 -0.13 0.02 0.00 0.00 177.10 176.68 6msf s ARG 56 N -3.12 0.93 -0.08 -0.60 0.52 -0.57 -2.78 118.95 113.25 6msf s ARG 56 Ca 0.13 -0.39 0.02 0.00 -0.52 0.00 0.00 55.73 54.98 6msf s ARG 56 Cb -0.02 -0.89 0.01 0.00 0.52 0.00 0.00 34.95 34.57 6msf s ARG 56 CO 0.03 0.22 -0.15 0.21 0.02 0.00 0.00 175.30 175.62 6msf s LYS 57 N -0.18 2.09 -0.18 3.54 2.20 0.41 -0.93 119.74 126.69 6msf s LYS 57 Ca 0.03 -0.54 -0.08 0.00 -0.36 0.00 0.00 55.97 55.02 6msf s LYS 57 Cb -0.05 -1.70 -0.04 0.00 -1.51 0.00 0.00 37.83 34.53 6msf s LYS 57 CO -0.00 0.04 0.10 0.71 -0.36 0.00 0.00 175.35 175.84 6msf s TYR 58 N 0.67 3.37 -0.23 4.03 1.51 0.47 -1.50 117.35 125.68 6msf s TYR 58 Ca -0.14 0.27 0.01 0.00 -1.01 0.00 0.00 57.07 56.20 6msf s TYR 58 Cb -0.16 -2.08 0.04 0.00 -0.11 0.00 0.00 41.96 39.64 6msf s TYR 58 CO 0.04 0.32 -0.13 0.99 -1.11 0.00 0.00 175.55 175.65 6msf s THR 59 N 0.09 2.29 -0.06 -0.71 2.01 0.10 -0.92 115.64 118.45 6msf s THR 59 Ca 0.08 -1.22 0.05 0.00 0.31 0.00 0.00 61.69 60.91 6msf s THR 59 Cb -0.12 -2.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 6msf s THR 59 CO -0.00 0.25 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.32 6msf s ILE 60 N 1.23 2.28 0.01 1.82 1.01 -0.09 -1.15 121.20 126.31 6msf s ILE 60 Ca -0.01 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.68 6msf s ILE 60 Cb -0.16 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 6msf s ILE 60 CO -0.08 0.57 -0.10 -0.54 0.00 0.00 0.00 174.94 174.79 6msf s LYS 61 N -0.23 0.77 -0.02 2.79 1.02 0.09 -1.05 119.74 123.11 6msf s LYS 61 Ca -0.01 -0.49 0.02 0.00 0.02 0.00 0.00 55.97 55.51 6msf s LYS 61 Cb -0.13 -0.73 0.00 0.00 -0.52 0.00 0.00 37.83 36.45 6msf s LYS 61 CO 0.03 0.19 -0.07 0.08 -0.92 0.00 0.00 175.35 174.66 6msf s VAL 62 N -0.51 0.59 -0.20 3.17 1.01 -0.56 -0.86 120.40 123.04 6msf s VAL 62 Ca 0.02 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.75 6msf s VAL 62 Cb -0.05 -0.53 0.04 0.00 0.00 0.00 0.00 36.38 35.83 6msf s VAL 62 CO 0.00 0.19 -0.14 -1.61 0.00 0.00 0.00 175.10 173.54 6msf s GLU 63 N 0.19 2.43 -0.30 2.72 2.02 0.40 -0.67 118.70 125.49 6msf s GLU 63 Ca -0.02 -0.90 -0.08 0.00 0.02 0.00 0.00 54.97 53.98 6msf s GLU 63 Cb -0.07 -2.52 -0.00 0.00 0.10 0.00 0.00 34.13 31.64 6msf s GLU 63 CO -0.00 -0.35 0.12 0.08 0.02 0.00 0.00 175.26 175.13 6msf s VAL 64 N 1.31 4.34 0.27 2.63 1.01 -0.11 -2.44 120.40 127.41 6msf s VAL 64 Ca 0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 6msf s VAL 64 Cb -0.15 -3.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 6msf s VAL 64 CO -0.10 0.07 0.56 -2.16 0.00 0.00 0.00 175.10 173.47 6msf s PRO 65 N 1.57 3.68 -0.58 2.72 0.04 -1.26 0.06 135.00 141.23 6msf s PRO 65 Ca 0.04 0.10 -0.08 0.00 0.04 0.00 0.00 61.00 61.09 6msf s PRO 65 Cb -0.17 -2.64 0.15 0.00 0.04 0.00 0.00 34.50 31.88 6msf s PRO 65 CO 0.05 0.24 0.44 0.21 0.04 0.00 0.00 177.00 177.98 6msf s LYS 66 N -3.33 2.69 0.41 4.56 2.47 -0.17 -4.97 119.74 121.40 6msf s LYS 66 Ca 0.45 -2.11 -0.26 0.00 -1.56 0.00 0.00 55.97 52.49 6msf s LYS 66 Cb -0.11 -3.95 -0.09 0.00 -1.46 0.00 0.00 37.83 32.22 6msf s LYS 66 CO 0.27 -1.20 1.38 0.14 0.16 0.00 0.00 175.35 176.10 6msf s VAL 67 N 0.74 2.34 0.13 4.02 -7.23 -1.26 -0.18 120.40 118.95 6msf s VAL 67 Ca 0.11 0.31 -0.23 0.00 -1.81 0.00 0.00 61.98 60.36 6msf s VAL 67 Cb -0.21 -3.19 0.07 0.00 0.56 0.00 0.00 36.38 33.61 6msf s VAL 67 CO -0.03 0.05 0.59 0.00 -0.31 0.00 0.00 175.10 175.41 6msf s ALA 68 N -1.20 -1.57 -0.32 1.32 0.00 -0.34 -4.72 121.76 114.92 6msf s ALA 68 Ca 0.57 0.54 -0.04 0.00 0.00 0.00 0.00 51.96 53.03 6msf s ALA 68 Cb -0.42 0.77 0.04 0.00 0.00 0.00 0.00 23.12 23.52 6msf s ALA 68 CO 0.54 -0.71 0.06 0.99 0.00 0.00 0.00 175.76 176.64 6msf s THR 69 N -3.46 3.45 0.15 0.00 2.01 -1.26 -0.96 115.64 115.57 6msf s THR 69 Ca -0.00 -1.24 -0.02 0.00 0.31 0.00 0.00 61.69 60.74 6msf s THR 69 Cb -0.01 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 6msf s THR 69 CO -0.10 -0.15 0.35 -1.58 -0.69 0.00 0.00 174.62 172.45 6msf s GLN 70 N 1.34 3.55 -0.49 4.92 0.74 -0.70 -4.88 119.66 124.14 6msf s GLN 70 Ca -0.03 -0.25 -0.05 0.00 0.05 0.00 0.00 55.36 55.08 6msf s GLN 70 Cb -0.20 -2.88 0.13 0.00 1.10 0.00 0.00 33.01 31.16 6msf s GLN 70 CO 0.01 0.47 0.31 0.99 -0.55 0.00 0.00 175.29 176.52 6msf s THR 71 N -1.70 3.67 -0.26 -0.34 2.01 -1.26 -0.35 115.64 117.40 6msf s THR 71 Ca 0.39 -2.23 -0.08 0.00 0.31 0.00 0.00 61.69 60.08 6msf s THR 71 Cb -0.12 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 6msf s THR 71 CO 0.27 -0.77 0.08 -0.69 -0.69 0.00 0.00 174.62 172.83 6msf s VAL 72 N 0.87 4.35 -1.14 3.82 1.01 -0.11 -4.48 120.40 124.71 6msf s VAL 72 Ca 0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 6msf s VAL 72 Cb -0.23 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.08 6msf s VAL 72 CO -0.03 0.28 0.42 0.61 0.00 0.00 0.00 175.10 176.38 6msf n GLY 73 N 4.93 -0.20 3.21 4.51 0.00 -1.26 -2.32 105.19 114.07 6msf n GLY 73 Ca -0.16 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.74 6msf n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 6msf n GLY 74 N -1.30 1.99 3.76 -0.02 0.00 -1.26 -4.99 105.19 103.37 6msf n GLY 74 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 6msf n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 6msf s VAL 75 N -3.06 4.76 -0.14 1.61 1.01 -0.98 -5.07 120.40 118.53 6msf s VAL 75 Ca 0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 6msf s VAL 75 Cb 0.00 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 6msf s VAL 75 CO 0.00 0.55 0.56 -1.61 0.00 0.00 0.00 175.10 174.60 6msf s GLU 76 N -1.12 4.30 0.01 2.72 2.02 -1.26 -0.94 118.70 124.44 6msf s GLU 76 Ca 0.16 0.55 0.06 0.00 0.02 0.00 0.00 54.97 55.76 6msf s GLU 76 Cb -0.12 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.60 6msf s GLU 76 CO 0.05 0.00 -0.17 -0.51 0.02 0.00 0.00 175.26 174.65 6msf s LEU 77 N 1.11 2.10 -0.19 1.80 1.43 0.52 -4.99 118.68 120.46 6msf s LEU 77 Ca 0.28 -0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 6msf s LEU 77 Cb -0.16 -0.85 -0.00 0.00 0.03 0.00 0.00 46.19 45.21 6msf s LEU 77 CO 0.12 0.16 1.18 -2.16 0.23 0.00 0.00 176.35 175.87 6msf s PRO 78 N -0.76 4.24 0.29 1.29 0.04 -1.26 -1.72 135.00 137.13 6msf s PRO 78 Ca 0.06 1.55 0.05 0.00 0.04 0.00 0.00 61.00 62.70 6msf s PRO 78 Cb -0.07 -3.72 -0.02 0.00 0.04 0.00 0.00 34.50 30.73 6msf s PRO 78 CO 0.00 -0.68 0.28 1.55 0.04 0.00 0.00 177.00 178.20 6msf n VAL 79 N 5.35 0.00 -4.25 -0.36 3.14 -0.13 -4.71 118.33 117.37 6msf n VAL 79 Ca 0.13 -2.03 -0.33 0.00 -2.96 0.00 0.00 64.34 59.15 6msf n VAL 79 Cb 0.45 1.05 -0.16 0.00 -1.06 0.00 0.00 33.84 34.13 6msf n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 6msf s ALA 80 N -3.09 2.42 0.31 1.55 0.00 -1.25 -1.20 121.76 120.51 6msf s ALA 80 Ca 0.33 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.14 6msf s ALA 80 Cb 0.01 -1.24 0.54 0.00 0.00 0.00 0.00 23.12 22.43 6msf s ALA 80 CO 0.24 -0.25 1.95 0.00 0.00 0.00 0.00 175.76 177.70 6msf h ALA 81 N 7.75 1.50 -1.94 0.00 0.00 -0.86 -3.46 119.26 122.26 6msf h ALA 81 Ca -0.41 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 54.71 6msf h ALA 81 Cb 1.16 -0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.57 6msf h ALA 81 CO 0.61 0.42 0.64 1.67 0.00 0.00 0.00 179.25 182.58 6msf s TRP 82 N -5.86 -0.09 0.03 0.00 1.48 -1.25 -5.02 118.94 108.22 6msf s TRP 82 Ca -0.11 -0.13 0.03 0.00 -1.06 0.00 0.00 56.10 54.83 6msf s TRP 82 Cb 0.19 0.60 -0.02 0.00 -1.16 0.00 0.00 33.47 33.08 6msf s TRP 82 CO 0.79 -0.58 -0.09 1.03 -4.06 0.00 0.00 176.95 174.04 6msf s ARG 83 N -2.90 0.60 -0.15 3.25 0.52 -1.26 -1.00 118.95 118.01 6msf s ARG 83 Ca 0.13 -0.58 -0.07 0.00 -0.52 0.00 0.00 55.73 54.69 6msf s ARG 83 Cb 0.01 -0.50 -0.04 0.00 0.52 0.00 0.00 34.95 34.95 6msf s ARG 83 CO -0.00 0.12 0.10 0.45 0.02 0.00 0.00 175.30 175.98 6msf s SER 84 N -1.02 6.04 -0.20 0.23 0.15 0.11 -4.93 113.70 114.08 6msf s SER 84 Ca -0.03 0.30 -0.01 0.00 0.70 0.00 0.00 55.95 56.90 6msf s SER 84 Cb -0.07 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 6msf s SER 84 CO 0.00 0.31 -0.12 -0.31 1.20 0.00 0.00 173.24 174.32 6msf s TYR 85 N -0.42 2.87 -0.23 3.44 1.51 -1.26 -0.94 117.35 122.32 6msf s TYR 85 Ca 0.11 -1.25 -0.07 0.00 -1.01 0.00 0.00 57.07 54.84 6msf s TYR 85 Cb -0.12 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 6msf s TYR 85 CO 0.02 -0.66 0.07 -1.17 -1.11 0.00 0.00 175.55 172.70 6msf s LEU 86 N 1.35 3.58 -0.17 -1.29 2.96 0.15 -4.99 118.68 120.27 6msf s LEU 86 Ca 0.05 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 6msf s LEU 86 Cb -0.14 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.64 6msf s LEU 86 CO -0.07 0.04 -0.11 0.21 -1.32 0.00 0.00 176.35 175.10 6msf s ASN 87 N 1.20 2.99 -0.03 3.68 3.84 -1.26 -1.50 114.94 123.86 6msf s ASN 87 Ca 0.05 -0.68 0.03 0.00 0.21 0.00 0.00 52.86 52.47 6msf s ASN 87 Cb -0.14 -1.14 0.00 0.00 -0.55 0.00 0.00 41.25 39.42 6msf s ASN 87 CO 0.03 -0.12 -0.12 0.00 -2.79 0.00 0.00 177.10 174.11 6msf s MET 88 N 1.48 1.20 -0.12 0.43 0.23 -0.22 -5.03 119.30 117.28 6msf s MET 88 Ca 0.02 -0.40 0.03 0.00 -1.03 0.00 0.00 55.69 54.31 6msf s MET 88 Cb -0.15 -1.09 0.01 0.00 -1.53 0.00 0.00 34.83 32.07 6msf s MET 88 CO -0.09 0.16 -0.21 -1.21 -2.03 0.00 0.00 175.02 171.64 6msf s GLU 89 N 0.12 2.87 -0.19 3.16 2.02 -1.26 -0.91 118.70 124.51 6msf s GLU 89 Ca -0.03 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.17 6msf s GLU 89 Cb -0.09 -2.26 0.02 0.00 0.10 0.00 0.00 34.13 31.90 6msf s GLU 89 CO 0.01 0.06 -0.19 -1.17 0.02 0.00 0.00 175.26 173.99 6msf s LEU 90 N 0.64 2.24 -0.28 1.80 2.96 -0.09 -4.96 118.68 120.99 6msf s LEU 90 Ca -0.12 -0.72 -0.07 0.00 -0.22 0.00 0.00 54.13 53.00 6msf s LEU 90 Cb -0.16 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 45.06 6msf s LEU 90 CO 0.03 -0.02 0.07 -0.89 -1.32 0.00 0.00 176.35 174.21 6msf s THR 91 N 1.28 3.99 -0.11 3.68 2.01 -1.26 -0.39 115.64 124.84 6msf s THR 91 Ca 0.04 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.47 6msf s THR 91 Cb -0.14 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.36 6msf s THR 91 CO -0.12 0.15 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.12 6msf s ILE 92 N 1.52 2.42 0.44 1.82 1.01 -0.11 -4.95 121.20 123.36 6msf s ILE 92 Ca 0.03 -0.89 -0.24 0.00 0.00 0.00 0.00 60.65 59.55 6msf s ILE 92 Cb -0.17 -1.96 -0.08 0.00 0.01 0.00 0.00 42.46 40.27 6msf s ILE 92 CO 0.02 0.55 1.19 -2.16 0.00 0.00 0.00 174.94 174.54 6msf s PRO 93 N 0.28 3.82 0.31 2.79 0.04 -1.26 -1.51 135.00 139.46 6msf s PRO 93 Ca -0.14 1.84 0.22 0.00 0.04 0.00 0.00 61.00 62.96 6msf s PRO 93 Cb -0.17 -2.49 1.13 0.00 0.04 0.00 0.00 34.50 33.01 6msf s PRO 93 CO 0.07 -0.52 1.66 0.44 0.04 0.00 0.00 177.00 178.70 6msf n ILE 94 N -0.32 1.01 1.74 0.56 -5.35 -0.53 -1.45 119.36 115.02 6msf n ILE 94 Ca 0.06 0.65 0.15 0.00 -0.27 0.00 0.00 62.75 63.35 6msf n ILE 94 Cb 0.47 -1.64 0.76 0.00 -1.74 0.00 0.00 39.64 37.49 6msf n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 6msf n PHE 95 N -2.25 0.00 -2.53 4.28 3.72 -1.26 -4.83 117.46 114.59 6msf n PHE 95 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 6msf n PHE 95 Cb 0.07 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 6msf n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 6msf s ALA 96 N -2.08 3.40 0.94 4.37 0.00 -0.53 -5.03 121.76 122.85 6msf s ALA 96 Ca 0.42 0.62 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 6msf s ALA 96 Cb 0.21 -3.46 0.20 0.00 0.00 0.00 0.00 23.12 20.08 6msf s ALA 96 CO 0.37 -0.57 1.29 0.95 0.00 0.00 0.00 175.76 177.80 6msf s THR 97 N 1.72 2.01 0.22 0.00 -4.23 -1.26 -4.86 115.64 109.24 6msf s THR 97 Ca 0.55 -0.10 -0.05 0.00 -1.18 0.00 0.00 61.69 60.91 6msf s THR 97 Cb -0.24 -2.91 0.08 0.00 1.34 0.00 0.00 72.50 70.77 6msf s THR 97 CO 0.24 0.00 1.69 0.78 -0.54 0.00 0.00 174.62 176.79 6msf h ASN 98 N -1.55 0.87 -0.64 3.99 2.35 -1.99 -1.76 115.58 116.85 6msf h ASN 98 Ca -0.43 -0.24 -0.07 0.00 -0.55 0.00 0.00 56.30 55.01 6msf h ASN 98 Cb 1.23 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 39.34 6msf h ASN 98 CO 0.35 0.96 0.13 0.77 -1.65 0.00 0.00 177.43 177.98 6msf h SER 99 N 0.81 1.01 -0.67 5.81 4.64 -1.99 0.15 113.55 123.32 6msf h SER 99 Ca 0.15 -0.22 0.04 0.00 -0.47 0.00 0.00 61.79 61.29 6msf h SER 99 Cb 0.54 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.32 6msf h SER 99 CO 0.03 0.99 0.39 0.44 -0.87 0.00 0.00 176.83 177.82 6msf h ASP 100 N 1.00 0.61 0.06 4.97 3.32 -1.80 -1.98 116.42 122.62 6msf h ASP 100 Ca 0.20 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.13 6msf h ASP 100 Cb 0.40 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 6msf h ASP 100 CO 0.01 0.41 -0.46 0.00 -1.72 0.00 0.00 179.24 177.48 6msf h GLU 102 N 0.38 0.44 -0.55 0.00 5.08 -0.45 -1.26 114.58 118.22 6msf h GLU 102 Ca 0.02 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 6msf h GLU 102 Cb 0.96 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 6msf h GLU 102 CO 0.08 0.39 0.36 1.25 -1.00 0.00 0.00 179.01 180.10 6msf h LEU 103 N 0.44 0.63 -0.41 1.33 5.85 -1.01 0.00 115.31 122.14 6msf h LEU 103 Ca 0.11 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 6msf h LEU 103 Cb 0.14 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 6msf h LEU 103 CO -0.01 0.46 0.20 0.40 -0.34 0.00 0.00 178.44 179.15 6msf h ILE 104 N 0.74 1.17 -0.68 4.05 2.04 -1.13 -0.93 117.51 122.77 6msf h ILE 104 Ca 0.20 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 6msf h ILE 104 Cb -0.09 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 6msf h ILE 104 CO -0.04 0.18 0.33 0.58 0.00 0.00 0.00 178.15 179.20 6msf h VAL 105 N 0.52 1.23 -0.75 1.67 2.07 -0.89 -1.20 116.25 118.89 6msf h VAL 105 Ca 0.14 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 6msf h VAL 105 Cb 0.10 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 6msf h VAL 105 CO -0.02 0.26 0.29 0.11 0.02 0.00 0.00 177.57 178.24 6msf h LYS 106 N 0.94 1.13 -0.40 1.57 1.57 -0.77 -1.07 116.57 119.54 6msf h LYS 106 Ca 0.23 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 6msf h LYS 106 Cb 0.12 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 6msf h LYS 106 CO -0.03 0.92 0.18 0.00 -0.57 0.00 0.00 179.45 179.96 6msf h ALA 107 N 1.15 0.52 -0.60 3.86 0.00 -0.70 0.22 119.26 123.70 6msf h ALA 107 Ca 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 6msf h ALA 107 Cb 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 6msf h ALA 107 CO -0.02 0.09 0.25 0.52 0.00 0.00 0.00 179.25 180.09 6msf h MET 108 N 0.50 0.87 -0.36 0.00 2.86 -1.01 0.26 114.93 118.06 6msf h MET 108 Ca 0.14 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 6msf h MET 108 Cb 0.14 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 6msf h MET 108 CO -0.02 0.71 -0.16 1.96 1.06 0.00 0.00 176.91 180.47 6msf h GLN 109 N 0.86 0.74 -0.48 1.72 4.20 -0.73 -3.05 115.11 118.36 6msf h GLN 109 Ca 0.21 -0.31 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 6msf h GLN 109 Cb 0.16 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 6msf h GLN 109 CO -0.02 0.92 0.11 0.78 -0.67 0.00 0.00 178.83 179.96 6msf h GLY 110 N 0.52 0.83 -0.19 3.46 0.00 0.04 -2.56 103.07 105.17 6msf h GLY 110 Ca 0.08 -0.52 0.24 0.00 0.00 0.00 0.00 47.33 47.13 6msf h GLY 110 CO 0.05 0.48 0.50 -2.00 0.00 0.00 0.00 176.54 175.57 6msf h LEU 111 N 0.65 0.50 -2.53 3.11 5.85 -0.41 -2.33 115.31 120.15 6msf h LEU 111 Ca 0.15 0.15 0.00 0.00 0.84 0.00 0.00 57.88 59.02 6msf h LEU 111 Cb 0.33 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.45 6msf h LEU 111 CO 0.00 0.04 0.00 0.18 -0.34 0.00 0.00 178.44 178.32 6msf n LEU 112 N -4.97 3.53 -4.75 2.25 4.77 -1.10 -4.41 117.00 112.32 6msf n LEU 112 Ca 0.25 -1.74 -0.41 0.00 -0.03 0.00 0.00 56.01 54.07 6msf n LEU 112 Cb 0.71 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 6msf n LEU 112 CO 0.14 0.83 1.06 1.17 -1.33 0.00 0.00 177.39 179.26 6msf n LYS 113 N 1.39 2.46 -1.64 3.23 4.81 -0.88 -4.81 118.16 122.72 6msf n LYS 113 Ca 0.20 0.86 -0.45 0.00 -0.87 0.00 0.00 58.31 58.05 6msf n LYS 113 Cb 0.58 -2.58 -0.03 0.00 0.02 0.00 0.00 35.03 33.02 6msf n LYS 113 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 6msf n ASP 114 N 0.41 2.21 0.00 3.14 8.00 -1.26 -1.79 116.55 127.26 6msf n ASP 114 Ca 0.03 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.68 6msf n ASP 114 Cb 0.39 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 6msf n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 6msf n GLY 115 N 1.82 2.86 3.76 0.44 0.00 -1.26 -5.06 105.19 107.75 6msf n GLY 115 Ca 0.11 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 6msf n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 6msf s ASN 116 N 0.54 4.48 0.08 1.61 0.01 -0.74 -4.83 114.94 116.09 6msf s ASN 116 Ca 0.00 1.94 -0.21 0.00 -0.71 0.00 0.00 52.86 53.89 6msf s ASN 116 Cb 0.00 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 39.05 6msf s ASN 116 CO 0.00 -2.05 1.34 -0.65 -1.51 0.00 0.00 177.10 174.23 6msf h PRO 117 N -0.83 -0.24 0.14 -0.60 0.11 -1.89 -2.21 132.00 126.48 6msf h PRO 117 Ca -0.45 0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.70 6msf h PRO 117 Cb 1.24 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 6msf h PRO 117 CO 0.51 -0.16 -0.43 0.82 -0.21 0.00 0.00 178.00 178.53 6msf h ILE 118 N -0.24 0.14 -0.19 4.15 5.03 -1.94 -0.75 117.51 123.72 6msf h ILE 118 Ca 0.05 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.82 6msf h ILE 118 Cb 0.37 0.14 -0.01 0.00 -3.03 0.00 0.00 36.82 34.29 6msf h ILE 118 CO -0.38 0.00 0.13 1.55 -0.68 0.00 0.00 178.15 178.77 6msf h PRO 119 N -0.67 0.11 0.02 2.37 0.13 -1.76 -1.89 132.00 130.31 6msf h PRO 119 Ca 0.02 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.14 6msf h PRO 119 Cb 0.69 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.80 6msf h PRO 119 CO -0.24 0.08 -0.01 0.77 -0.23 0.00 0.00 178.00 178.37 6msf h SER 120 N 0.12 -0.02 -0.14 1.44 0.02 -0.67 -1.92 113.55 112.38 6msf h SER 120 Ca 0.08 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 6msf h SER 120 Cb 0.18 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 6msf h SER 120 CO -0.01 0.17 0.07 0.00 -1.14 0.00 0.00 176.83 175.91 6msf h ALA 121 N 0.77 0.16 -0.30 3.77 0.00 -0.64 -2.44 119.26 120.58 6msf h ALA 121 Ca -0.00 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.96 6msf h ALA 121 Cb 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 6msf h ALA 121 CO 0.00 -0.37 0.04 0.82 0.00 0.00 0.00 179.25 179.74 6msf h ILE 122 N 0.14 0.83 0.00 0.00 2.04 -1.33 -1.22 117.51 117.97 6msf h ILE 122 Ca 0.06 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.87 6msf h ILE 122 Cb 0.01 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 6msf h ILE 122 CO -0.04 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.13 6msf n ALA 123 N -2.39 1.55 -0.29 1.87 0.00 -0.73 -2.22 120.51 118.30 6msf n ALA 123 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.56 6msf n ALA 123 Cb 0.14 -1.31 0.16 0.00 0.00 0.00 0.00 19.45 18.44 6msf n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 6msf n ALA 124 N -1.68 2.28 -3.76 0.00 0.00 -0.56 -4.98 120.51 111.81 6msf n ALA 124 Ca 0.02 -1.31 -0.22 0.00 0.00 0.00 0.00 53.44 51.92 6msf n ALA 124 Cb 0.18 -0.45 0.02 0.00 0.00 0.00 0.00 19.45 19.20 6msf n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 6msf n ASN 125 N 0.30 -1.08 -3.94 0.00 3.02 -0.81 -4.96 115.26 107.80 6msf n ASN 125 Ca 0.12 -0.86 -0.12 0.00 -0.03 0.00 0.00 54.58 53.69 6msf n ASN 125 Cb 0.48 -3.83 -0.08 0.00 -0.61 0.00 0.00 39.78 35.74 6msf n ASN 125 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 6msf s SER 126 N -4.33 0.32 0.05 6.41 1.04 -0.60 -5.05 113.70 111.53 6msf s SER 126 Ca 0.02 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.15 6msf s SER 126 Cb -0.01 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.60 6msf s SER 126 CO 0.83 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.65 6msf n GLY 127 N -0.38 1.67 3.85 7.32 0.00 -1.26 -4.26 105.19 112.13 6msf n GLY 127 Ca 0.01 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 6msf n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 6msf s ILE 128 N 1.28 5.43 0.00 -0.61 1.09 -1.26 -4.78 121.20 122.35 6msf s ILE 128 Ca 0.00 0.29 0.00 0.00 -1.10 0.00 0.00 60.65 59.84 6msf s ILE 128 Cb 0.00 -3.45 0.00 0.00 -1.06 0.00 0.00 42.46 37.95 6msf s ILE 128 CO 0.00 0.59 0.00 0.00 -0.10 0.00 0.00 174.94 175.43