#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6msf s SER 2 N 0.00 -0.49 0.00 0.00 0.15 -1.26 -4.99 113.70 107.10 6msf s SER 2 Ca 0.00 0.85 0.11 0.00 0.70 0.00 0.00 55.95 57.60 6msf s SER 2 Cb 0.00 1.06 0.16 0.00 -1.71 0.00 0.00 66.02 65.53 6msf s SER 2 CO 0.00 -0.14 0.98 -0.46 1.20 0.00 0.00 173.24 174.82 6msf n ASN 3 N 3.09 2.25 -3.65 5.45 6.94 -1.26 -4.64 115.26 123.44 6msf n ASN 3 Ca -0.16 -1.64 -0.41 0.00 -0.02 0.00 0.00 54.58 52.35 6msf n ASN 3 Cb 0.57 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 6msf n ASN 3 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 6msf n PHE 4 N 0.57 2.65 -4.68 -2.53 7.35 -1.26 -4.92 117.46 114.65 6msf n PHE 4 Ca 0.08 -2.73 -0.31 0.00 -0.76 0.00 0.00 57.45 53.73 6msf n PHE 4 Cb 0.32 -1.66 -0.08 0.00 0.35 0.00 0.00 39.48 38.42 6msf n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 6msf s THR 5 N -1.70 0.94 0.48 -2.13 -4.23 -1.26 -4.78 115.64 102.95 6msf s THR 5 Ca 0.46 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.78 6msf s THR 5 Cb 0.15 -2.21 -0.09 0.00 1.34 0.00 0.00 72.50 71.70 6msf s THR 5 CO -0.06 0.00 0.96 0.00 -0.54 0.00 0.00 174.62 174.98 6msf s GLN 6 N -3.81 4.05 0.19 3.99 -2.07 -1.26 -4.55 119.66 116.20 6msf s GLN 6 Ca 0.11 1.00 -0.12 0.00 -1.82 0.00 0.00 55.36 54.53 6msf s GLN 6 Cb 0.02 -2.16 0.00 0.00 -1.09 0.00 0.00 33.01 29.78 6msf s GLN 6 CO 0.07 -0.17 0.40 -0.59 -1.32 0.00 0.00 175.29 173.68 6msf s PHE 7 N -2.44 0.24 -0.37 9.60 -0.71 -0.68 -5.00 117.98 118.61 6msf s PHE 7 Ca 0.60 -0.60 -0.24 0.00 -1.04 0.00 0.00 56.93 55.66 6msf s PHE 7 Cb -0.10 0.13 0.01 0.00 -1.21 0.00 0.00 43.02 41.86 6msf s PHE 7 CO 0.24 -0.84 0.81 0.08 -1.34 0.00 0.00 175.22 174.16 6msf s VAL 8 N -3.95 4.70 -0.04 -2.49 1.01 -1.26 -1.10 120.40 117.27 6msf s VAL 8 Ca 0.16 0.89 -0.16 0.00 0.00 0.00 0.00 61.98 62.87 6msf s VAL 8 Cb 0.01 -4.24 -0.31 0.00 0.00 0.00 0.00 36.38 31.84 6msf s VAL 8 CO 0.01 -0.48 0.78 0.25 0.00 0.00 0.00 175.10 175.67 6msf h LEU 9 N 9.83 0.58 -7.95 3.92 5.85 -1.23 -3.44 115.31 122.87 6msf h LEU 9 Ca -0.24 -0.92 -0.65 0.00 0.84 0.00 0.00 57.88 56.91 6msf h LEU 9 Cb 1.09 -0.19 -0.36 0.00 0.37 0.00 0.00 40.66 41.57 6msf h LEU 9 CO 0.93 1.63 -0.83 -0.69 -0.34 0.00 0.00 178.44 179.13 6msf s VAL 10 N -2.52 1.95 -1.01 1.05 1.01 -0.96 -4.99 120.40 114.93 6msf s VAL 10 Ca -0.15 -1.08 -0.14 0.00 0.00 0.00 0.00 61.98 60.61 6msf s VAL 10 Cb 0.04 -1.89 0.19 0.00 0.00 0.00 0.00 36.38 34.72 6msf s VAL 10 CO 0.85 0.33 1.12 -0.62 0.00 0.00 0.00 175.10 176.78 6msf s ASP 11 N 1.29 6.91 -1.10 3.32 -1.08 -1.26 -0.92 116.67 123.83 6msf s ASP 11 Ca 0.01 -2.74 -0.03 0.00 -0.52 0.00 0.00 52.55 49.26 6msf s ASP 11 Cb -0.15 -2.32 0.28 0.00 -1.46 0.00 0.00 42.92 39.27 6msf s ASP 11 CO -0.10 -0.71 1.81 0.59 0.52 0.00 0.00 175.17 177.27 6msf n ASN 12 N 4.96 7.02 0.00 -0.34 3.02 -1.26 -4.96 115.26 123.70 6msf n ASN 12 Ca 0.25 -3.49 0.00 0.00 -0.03 0.00 0.00 54.58 51.31 6msf n ASN 12 Cb 0.45 -1.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 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 0.80 0.56 0.04 7.41 0.00 -1.26 -3.33 105.19 109.41 6msf n GLY 13 Ca 0.42 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 0.74 1.04 -0.02 0.00 -1.26 -4.86 105.19 100.83 6msf n GLY 14 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 6msf n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 6msf n THR 15 N -0.36 0.00 0.34 2.61 -2.24 -1.24 -4.78 114.28 108.61 6msf n THR 15 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 6msf n THR 15 Cb 0.41 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 6msf n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 6msf n GLY 16 N 3.22 0.83 3.75 3.38 0.00 -1.21 -4.83 105.19 110.33 6msf n GLY 16 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 1.09 6.94 -0.37 1.61 1.11 -1.26 -4.36 116.67 121.43 6msf s ASP 17 Ca 0.00 2.46 -0.12 0.00 0.18 0.00 0.00 52.55 55.08 6msf s ASP 17 Cb 0.00 -2.63 0.02 0.00 1.07 0.00 0.00 42.92 41.39 6msf s ASP 17 CO 0.00 -0.45 0.22 -0.69 1.18 0.00 0.00 175.17 175.43 6msf s VAL 18 N -0.56 4.73 -0.10 -1.27 1.01 -0.09 -4.97 120.40 119.15 6msf s VAL 18 Ca 0.51 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 6msf s VAL 18 Cb -0.36 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 6msf s VAL 18 CO 0.44 -0.22 0.06 -0.89 0.00 0.00 0.00 175.10 174.49 6msf s THR 19 N 1.59 4.85 -0.03 3.92 2.01 -1.26 -0.64 115.64 126.07 6msf s THR 19 Ca 0.03 -0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.05 6msf s THR 19 Cb -0.19 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.22 6msf s THR 19 CO 0.07 0.61 -0.22 0.54 -0.69 0.00 0.00 174.62 174.93 6msf s VAL 20 N -0.95 2.37 0.10 3.82 0.11 -0.25 -4.12 120.40 121.47 6msf s VAL 20 Ca 0.14 -0.98 0.06 0.00 -2.93 0.00 0.00 61.98 58.27 6msf s VAL 20 Cb -0.12 -1.86 -0.03 0.00 -1.53 0.00 0.00 36.38 32.84 6msf s VAL 20 CO 0.03 0.58 -0.16 0.00 -3.33 0.00 0.00 175.10 172.22 6msf s ALA 21 N -0.61 1.49 0.17 1.54 0.00 -0.32 -1.69 121.76 122.34 6msf s ALA 21 Ca 0.09 -1.20 -0.33 0.00 0.00 0.00 0.00 51.96 50.53 6msf s ALA 21 Cb -0.10 -0.13 -0.16 0.00 0.00 0.00 0.00 23.12 22.73 6msf s ALA 21 CO -0.00 0.19 1.16 -2.30 0.00 0.00 0.00 175.76 174.81 6msf n PRO 22 N 0.90 1.14 0.00 0.00 -0.02 -1.26 -0.83 135.00 134.93 6msf n PRO 22 Ca -0.18 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 6msf n PRO 22 Cb 0.55 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 6msf n PRO 22 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 6msf n SER 23 N 2.02 0.74 -3.54 2.55 2.88 0.44 -4.80 113.62 113.91 6msf n SER 23 Ca 0.15 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.52 6msf n SER 23 Cb 0.24 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.64 6msf n SER 23 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 6msf s ASN 24 N -4.75 -0.60 -0.36 -3.46 3.84 -1.17 -5.03 114.94 103.41 6msf s ASN 24 Ca 0.00 0.60 0.14 0.00 0.21 0.00 0.00 52.86 53.81 6msf s ASN 24 Cb 0.00 0.52 0.39 0.00 -0.55 0.00 0.00 41.25 41.61 6msf s ASN 24 CO 0.00 -0.62 0.82 0.33 -2.79 0.00 0.00 177.10 174.84 6msf n PHE 25 N 0.85 0.69 -3.74 0.43 -0.00 -1.26 -1.11 117.46 113.33 6msf n PHE 25 Ca -0.19 -3.47 -0.36 0.00 -0.00 0.00 0.00 57.45 53.44 6msf n PHE 25 Cb 0.57 -0.40 -0.06 0.00 -0.00 0.00 0.00 39.48 39.60 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 -2.72 3.83 -1.42 3.13 0.00 -1.22 -4.46 121.76 118.90 6msf s ALA 26 Ca 0.36 -0.52 -0.10 0.00 0.00 0.00 0.00 51.96 51.70 6msf s ALA 26 Cb 0.39 -2.10 0.04 0.00 0.00 0.00 0.00 23.12 21.44 6msf s ALA 26 CO -0.04 0.61 1.07 0.09 0.00 0.00 0.00 175.76 177.49 6msf n ASN 27 N 1.42 -5.25 -0.16 0.00 4.13 -1.26 -2.13 115.26 112.01 6msf n ASN 27 Ca -0.14 -0.65 -0.02 0.00 1.68 0.00 0.00 54.58 55.45 6msf n ASN 27 Cb 0.53 -4.53 -0.01 0.00 -1.54 0.00 0.00 39.78 34.23 6msf n ASN 27 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 6msf n GLY 28 N -1.82 0.44 3.14 7.41 0.00 -1.26 -4.98 105.19 108.12 6msf n GLY 28 Ca -0.01 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.68 2.81 0.13 1.61 1.01 -0.90 -4.49 120.40 118.88 6msf s VAL 29 Ca 0.00 -1.53 -0.30 0.00 0.00 0.00 0.00 61.98 60.15 6msf s VAL 29 Cb 0.00 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.65 6msf s VAL 29 CO 0.00 -0.16 1.00 0.00 0.00 0.00 0.00 175.10 175.94 6msf s ALA 30 N 1.20 3.28 -0.04 5.51 0.00 -0.39 -3.40 121.76 127.91 6msf s ALA 30 Ca -0.04 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.57 6msf s ALA 30 Cb -0.20 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.63 6msf s ALA 30 CO -0.02 -0.08 -0.07 -2.00 0.00 0.00 0.00 175.76 173.60 6msf s GLU 31 N -0.06 0.92 0.09 0.00 2.12 -0.26 -1.04 118.70 120.47 6msf s GLU 31 Ca 0.48 -0.20 0.09 0.00 0.36 0.00 0.00 54.97 55.70 6msf s GLU 31 Cb -0.25 -0.87 -0.04 0.00 0.26 0.00 0.00 34.13 33.23 6msf s GLU 31 CO 0.31 0.00 -0.19 -1.58 -0.54 0.00 0.00 175.26 173.26 6msf s TRP 32 N 0.60 2.52 -0.05 5.30 0.51 0.61 -0.42 118.94 128.00 6msf s TRP 32 Ca -0.09 -0.28 -0.05 0.00 -2.12 0.00 0.00 56.10 53.57 6msf s TRP 32 Cb -0.12 -1.38 0.01 0.00 -0.81 0.00 0.00 33.47 31.18 6msf s TRP 32 CO 0.01 0.33 0.13 0.42 -0.51 0.00 0.00 176.95 177.33 6msf s ILE 33 N -1.05 -0.00 0.76 2.03 -1.09 -0.01 -1.73 121.20 120.11 6msf s ILE 33 Ca 0.16 0.00 -0.11 0.00 -2.23 0.00 0.00 60.65 58.47 6msf s ILE 33 Cb -0.10 -0.19 0.05 0.00 -1.58 0.00 0.00 42.46 40.63 6msf s ILE 33 CO 0.08 0.00 1.09 -0.94 -1.23 0.00 0.00 174.94 173.94 6msf s SER 34 N 0.08 4.78 1.02 3.58 1.04 -0.88 -1.18 113.70 122.14 6msf s SER 34 Ca -0.00 1.40 -0.14 0.00 0.48 0.00 0.00 55.95 57.69 6msf s SER 34 Cb -0.01 -2.18 0.20 0.00 0.10 0.00 0.00 66.02 64.13 6msf s SER 34 CO 0.00 -1.80 1.11 -0.55 0.98 0.00 0.00 173.24 172.99 6msf s SER 35 N -3.88 2.50 0.18 7.02 0.15 -1.26 -4.70 113.70 113.71 6msf s SER 35 Ca 0.60 1.00 0.00 0.00 0.70 0.00 0.00 55.95 58.24 6msf s SER 35 Cb -0.14 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 6msf s SER 35 CO 0.54 -3.19 0.00 0.59 1.20 0.00 0.00 173.24 172.39 6msf n ASN 36 N -4.19 -1.36 -4.13 5.45 3.02 -1.26 -4.81 115.26 107.98 6msf n ASN 36 Ca 0.07 0.07 -0.59 0.00 -0.03 0.00 0.00 54.58 54.10 6msf n ASN 36 Cb 0.58 -0.19 -0.09 0.00 -0.61 0.00 0.00 39.78 39.48 6msf n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 6msf n SER 37 N -0.20 1.02 -0.28 6.41 7.64 -1.26 -4.77 113.62 122.17 6msf n SER 37 Ca 0.00 1.00 0.12 0.00 1.01 0.00 0.00 58.87 61.00 6msf n SER 37 Cb 0.03 -0.78 0.38 0.00 -1.01 0.00 0.00 64.21 62.83 6msf n SER 37 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 6msf h ARG 38 N 4.80 0.67 -0.44 1.43 9.65 -1.91 -0.03 114.38 128.55 6msf h ARG 38 Ca -0.35 -0.04 0.13 0.00 -1.10 0.00 0.00 59.98 58.61 6msf h ARG 38 Cb 1.21 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.62 6msf h ARG 38 CO 0.87 0.44 0.34 0.66 2.80 0.00 0.00 179.97 185.09 6msf h SER 39 N 0.69 0.00 -0.15 -3.80 4.64 -1.87 -1.90 113.55 111.17 6msf h SER 39 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 6msf h SER 39 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 6msf h SER 39 CO -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.74 6msf n GLN 40 N -4.25 2.44 -2.79 4.77 6.02 -0.06 -3.86 117.38 119.65 6msf n GLN 40 Ca 0.08 -2.34 -0.29 0.00 -0.01 0.00 0.00 57.00 54.44 6msf n GLN 40 Cb 0.54 -1.46 -0.02 0.00 1.02 0.00 0.00 30.24 30.32 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 -2.11 3.38 0.30 -1.58 0.00 -0.71 -4.83 121.76 116.20 6msf s ALA 41 Ca 0.27 -0.34 -0.20 0.00 0.00 0.00 0.00 51.96 51.68 6msf s ALA 41 Cb 0.21 -2.64 -0.09 0.00 0.00 0.00 0.00 23.12 20.60 6msf s ALA 41 CO 0.07 -0.13 0.81 0.71 0.00 0.00 0.00 175.76 177.22 6msf s TYR 42 N -2.50 3.56 0.00 0.00 1.51 -1.26 -4.61 117.35 114.04 6msf s TYR 42 Ca 0.49 1.48 0.04 0.00 -1.01 0.00 0.00 57.07 58.07 6msf s TYR 42 Cb -0.10 -2.71 -0.01 0.00 -0.11 0.00 0.00 41.96 39.03 6msf s TYR 42 CO 0.37 0.19 -0.12 0.21 -1.11 0.00 0.00 175.55 175.09 6msf s LYS 43 N -2.37 0.92 -0.02 -0.62 2.20 -1.08 -2.08 119.74 116.69 6msf s LYS 43 Ca 0.50 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 6msf s LYS 43 Cb -0.15 -0.89 0.03 0.00 -1.51 0.00 0.00 37.83 35.31 6msf s LYS 43 CO 0.20 0.24 0.01 0.08 -0.36 0.00 0.00 175.35 175.52 6msf s VAL 44 N -0.42 0.08 0.11 4.02 1.01 -0.70 -0.69 120.40 123.81 6msf s VAL 44 Ca 0.03 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.19 6msf s VAL 44 Cb -0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 6msf s VAL 44 CO -0.00 0.11 -0.12 0.42 0.00 0.00 0.00 175.10 175.51 6msf s THR 45 N 0.97 1.13 -0.12 3.92 -4.23 0.29 -0.28 115.64 117.32 6msf s THR 45 Ca -0.09 -1.65 -0.21 0.00 -1.18 0.00 0.00 61.69 58.56 6msf s THR 45 Cb -0.13 -1.41 0.05 0.00 1.34 0.00 0.00 72.50 72.35 6msf s THR 45 CO -0.02 -0.47 0.52 0.00 -0.54 0.00 0.00 174.62 174.11 6msf s SER 47 N -0.48 -0.62 0.09 0.00 1.04 -0.93 -1.26 113.70 111.54 6msf s SER 47 Ca -0.06 0.50 0.07 0.00 0.48 0.00 0.00 55.95 56.94 6msf s SER 47 Cb -0.03 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 6msf s SER 47 CO 0.04 -0.70 -0.18 -0.69 0.98 0.00 0.00 173.24 172.69 6msf s VAL 48 N -1.90 1.43 0.11 5.02 1.01 -1.26 -0.69 120.40 124.13 6msf s VAL 48 Ca -0.08 -1.46 -0.22 0.00 0.00 0.00 0.00 61.98 60.23 6msf s VAL 48 Cb -0.00 -1.35 0.06 0.00 0.00 0.00 0.00 36.38 35.09 6msf s VAL 48 CO 0.04 -0.16 0.55 0.00 0.00 0.00 0.00 175.10 175.53 6msf s ARG 49 N -1.89 1.17 -0.62 2.72 1.70 -0.58 -4.96 118.95 116.48 6msf s ARG 49 Ca 0.03 -0.41 -0.22 0.00 -0.47 0.00 0.00 55.73 54.66 6msf s ARG 49 Cb -0.10 0.53 0.07 0.00 -0.57 0.00 0.00 34.95 34.88 6msf s ARG 49 CO 0.03 -0.47 0.90 -1.14 -1.08 0.00 0.00 175.30 173.55 6msf s GLN 50 N -3.28 3.14 0.34 3.89 2.00 -1.26 0.28 119.66 124.77 6msf s GLN 50 Ca -0.01 -0.80 0.16 0.00 -2.00 0.00 0.00 55.36 52.71 6msf s GLN 50 Cb -0.00 -4.19 0.54 0.00 0.80 0.00 0.00 33.01 30.16 6msf s GLN 50 CO -0.09 -1.69 1.68 0.66 -0.50 0.00 0.00 175.29 175.36 6msf h SER 51 N 9.44 0.00 -5.23 6.67 4.64 -1.62 -3.47 113.55 123.98 6msf h SER 51 Ca -0.28 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.92 6msf h SER 51 Cb 1.07 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.12 6msf h SER 51 CO 1.14 0.46 0.05 -0.94 -0.87 0.00 0.00 176.83 176.67 6msf s SER 52 N -6.56 0.34 0.43 4.97 1.04 -1.13 -4.98 113.70 107.82 6msf s SER 52 Ca -0.00 -1.22 0.10 0.00 0.48 0.00 0.00 55.95 55.30 6msf s SER 52 Cb 0.11 0.75 0.94 0.00 0.10 0.00 0.00 66.02 67.92 6msf s SER 52 CO 0.71 -1.47 2.04 0.00 0.98 0.00 0.00 173.24 175.51 6msf h ALA 53 N 2.07 1.72 0.00 5.32 0.00 -2.03 -3.09 119.26 123.25 6msf h ALA 53 Ca -0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 6msf h ALA 53 Cb 1.25 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 6msf h ALA 53 CO 0.38 0.23 -1.79 1.04 0.00 0.00 0.00 179.25 179.11 6msf n GLN 54 N -4.44 0.65 -4.60 0.00 1.13 -1.26 -4.92 117.38 103.95 6msf n GLN 54 Ca 0.01 -0.12 -0.30 0.00 -1.94 0.00 0.00 57.00 54.64 6msf n GLN 54 Cb 0.12 -1.59 -0.13 0.00 0.11 0.00 0.00 30.24 28.75 6msf n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 6msf s ASN 55 N -4.74 3.64 0.00 1.08 0.01 -1.17 -0.39 114.94 113.38 6msf s ASN 55 Ca -0.06 -0.53 0.04 0.00 -0.71 0.00 0.00 52.86 51.60 6msf s ASN 55 Cb 0.13 -0.49 -0.03 0.00 0.41 0.00 0.00 41.25 41.27 6msf s ASN 55 CO 0.88 0.23 -0.09 -0.13 -1.51 0.00 0.00 177.10 176.48 6msf s ARG 56 N -1.63 2.46 -0.05 -0.60 0.52 -0.26 -1.62 118.95 117.78 6msf s ARG 56 Ca 0.15 -0.76 0.02 0.00 -0.52 0.00 0.00 55.73 54.61 6msf s ARG 56 Cb -0.10 -2.44 0.01 0.00 0.52 0.00 0.00 34.95 32.94 6msf s ARG 56 CO 0.06 0.59 -0.10 0.21 0.02 0.00 0.00 175.30 176.08 6msf s LYS 57 N -1.36 1.28 -0.04 3.54 2.20 0.14 -1.12 119.74 124.38 6msf s LYS 57 Ca 0.16 -0.32 -0.02 0.00 -0.36 0.00 0.00 55.97 55.43 6msf s LYS 57 Cb -0.11 -1.13 -0.04 0.00 -1.51 0.00 0.00 37.83 35.04 6msf s LYS 57 CO 0.06 0.04 0.09 0.71 -0.36 0.00 0.00 175.35 175.90 6msf s TYR 58 N 0.54 3.36 -0.26 4.03 1.51 0.83 -1.53 117.35 125.83 6msf s TYR 58 Ca -0.10 0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 56.23 6msf s TYR 58 Cb -0.13 -1.80 0.08 0.00 -0.11 0.00 0.00 41.96 40.00 6msf s TYR 58 CO 0.02 0.58 0.05 0.99 -1.11 0.00 0.00 175.55 176.08 6msf s THR 59 N -1.12 0.91 -0.11 -0.71 2.01 0.14 -1.22 115.64 115.54 6msf s THR 59 Ca 0.20 -1.12 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 6msf s THR 59 Cb -0.12 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 6msf s THR 59 CO 0.10 -0.42 0.02 -0.63 -0.69 0.00 0.00 174.62 173.00 6msf s ILE 60 N 1.64 4.43 -0.01 1.82 -1.09 -0.43 -2.20 121.20 125.36 6msf s ILE 60 Ca 0.03 -0.19 0.01 0.00 -2.23 0.00 0.00 60.65 58.28 6msf s ILE 60 Cb -0.18 -2.90 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 6msf s ILE 60 CO -0.16 0.57 -0.05 -0.54 -1.23 0.00 0.00 174.94 173.54 6msf s LYS 61 N -0.58 0.49 0.02 2.79 1.02 -0.36 -1.00 119.74 122.11 6msf s LYS 61 Ca 0.10 -0.16 0.03 0.00 0.02 0.00 0.00 55.97 55.96 6msf s LYS 61 Cb -0.12 -0.50 -0.01 0.00 -0.52 0.00 0.00 37.83 36.68 6msf s LYS 61 CO 0.02 0.06 -0.08 0.08 -0.92 0.00 0.00 175.35 174.51 6msf s VAL 62 N 0.14 0.64 -0.11 3.17 1.01 -0.17 -0.55 120.40 124.54 6msf s VAL 62 Ca -0.01 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.27 6msf s VAL 62 Cb -0.05 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.74 6msf s VAL 62 CO -0.00 -0.07 -0.11 -1.61 0.00 0.00 0.00 175.10 173.30 6msf s GLU 63 N -0.85 1.85 -0.26 2.72 2.02 0.14 -0.89 118.70 123.43 6msf s GLU 63 Ca -0.02 -0.41 -0.05 0.00 0.02 0.00 0.00 54.97 54.51 6msf s GLU 63 Cb -0.06 -1.71 0.01 0.00 0.10 0.00 0.00 34.13 32.47 6msf s GLU 63 CO 0.00 -0.15 0.01 0.08 0.02 0.00 0.00 175.26 175.22 6msf s VAL 64 N 1.28 3.58 0.27 2.63 1.01 -0.52 -2.63 120.40 126.00 6msf s VAL 64 Ca -0.02 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 6msf s VAL 64 Cb -0.14 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.41 6msf s VAL 64 CO -0.05 0.22 0.55 -2.16 0.00 0.00 0.00 175.10 173.66 6msf s PRO 65 N 1.46 3.68 -0.46 2.72 0.04 -1.26 -0.30 135.00 140.88 6msf s PRO 65 Ca 0.03 0.09 -0.10 0.00 0.04 0.00 0.00 61.00 61.06 6msf s PRO 65 Cb -0.16 -2.65 0.10 0.00 0.04 0.00 0.00 34.50 31.83 6msf s PRO 65 CO -0.01 0.25 0.32 0.21 0.04 0.00 0.00 177.00 177.82 6msf s LYS 66 N -3.29 2.56 0.28 4.56 2.47 -0.63 -4.97 119.74 120.72 6msf s LYS 66 Ca 0.45 -1.64 -0.30 0.00 -1.56 0.00 0.00 55.97 52.92 6msf s LYS 66 Cb -0.11 -3.90 -0.11 0.00 -1.46 0.00 0.00 37.83 32.25 6msf s LYS 66 CO 0.27 -1.11 1.53 0.08 0.16 0.00 0.00 175.35 176.29 6msf s VAL 67 N 1.41 2.29 0.17 4.02 1.01 -1.26 -0.91 120.40 127.12 6msf s VAL 67 Ca 0.05 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 62.05 6msf s VAL 67 Cb -0.25 -3.16 0.07 0.00 0.00 0.00 0.00 36.38 33.04 6msf s VAL 67 CO 0.01 0.04 0.61 0.00 0.00 0.00 0.00 175.10 175.76 6msf s ALA 68 N -0.00 -1.57 -0.26 5.51 0.00 -0.92 -4.76 121.76 119.76 6msf s ALA 68 Ca 0.62 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 52.94 6msf s ALA 68 Cb -0.45 0.89 -0.00 0.00 0.00 0.00 0.00 23.12 23.55 6msf s ALA 68 CO 0.46 -0.79 0.04 0.99 0.00 0.00 0.00 175.76 176.46 6msf s THR 69 N -3.76 3.86 -0.02 0.00 2.01 -1.26 -0.90 115.64 115.58 6msf s THR 69 Ca 0.02 -0.53 -0.16 0.00 0.31 0.00 0.00 61.69 61.32 6msf s THR 69 Cb -0.01 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 6msf s THR 69 CO -0.11 0.23 0.46 -1.58 -0.69 0.00 0.00 174.62 172.92 6msf s GLN 70 N 1.52 4.09 -0.09 4.92 0.74 0.09 -4.90 119.66 126.03 6msf s GLN 70 Ca 0.04 0.48 0.02 0.00 0.05 0.00 0.00 55.36 55.95 6msf s GLN 70 Cb -0.16 -3.28 0.01 0.00 1.10 0.00 0.00 33.01 30.68 6msf s GLN 70 CO 0.01 0.54 -0.15 0.99 -0.55 0.00 0.00 175.29 176.13 6msf s THR 71 N -0.63 1.41 -0.12 -0.34 2.01 -1.26 -0.46 115.64 116.26 6msf s THR 71 Ca 0.25 -0.61 -0.05 0.00 0.31 0.00 0.00 61.69 61.59 6msf s THR 71 Cb -0.17 -1.28 0.06 0.00 0.01 0.00 0.00 72.50 71.13 6msf s THR 71 CO 0.14 0.42 0.25 -0.69 -0.69 0.00 0.00 174.62 174.04 6msf s VAL 72 N 0.80 -0.35 -1.13 3.82 1.01 -0.71 -4.80 120.40 119.04 6msf s VAL 72 Ca -0.11 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.15 6msf s VAL 72 Cb -0.16 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.81 6msf s VAL 72 CO 0.02 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.84 6msf n GLY 73 N 5.22 1.17 1.64 4.51 0.00 -1.26 -1.63 105.19 114.84 6msf n GLY 73 Ca -0.08 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.33 0.75 3.62 -0.02 0.00 -1.26 -5.03 105.19 101.92 6msf n GLY 74 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.64 5.32 -0.12 1.61 1.01 -0.64 -5.07 120.40 119.86 6msf s VAL 75 Ca 0.00 0.22 -0.16 0.00 0.00 0.00 0.00 61.98 62.04 6msf s VAL 75 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 6msf s VAL 75 CO 0.00 0.28 0.39 -1.61 0.00 0.00 0.00 175.10 174.16 6msf s GLU 76 N 1.47 4.24 -0.02 2.72 2.02 -1.26 -1.74 118.70 126.13 6msf s GLU 76 Ca 0.08 0.29 0.02 0.00 0.02 0.00 0.00 54.97 55.39 6msf s GLU 76 Cb -0.15 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.68 6msf s GLU 76 CO 0.08 0.26 -0.09 -0.51 0.02 0.00 0.00 175.26 175.03 6msf s LEU 77 N 0.34 1.79 -0.13 1.80 1.43 0.40 -4.98 118.68 119.33 6msf s LEU 77 Ca 0.22 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.84 6msf s LEU 77 Cb -0.14 -0.53 -0.02 0.00 0.03 0.00 0.00 46.19 45.53 6msf s LEU 77 CO 0.08 0.06 1.15 -2.84 0.23 0.00 0.00 176.35 175.04 6msf s PRO 78 N 0.19 4.32 0.00 1.29 0.02 -1.26 -0.73 135.00 138.82 6msf s PRO 78 Ca -0.03 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.55 6msf s PRO 78 Cb -0.08 -3.63 0.00 0.00 0.02 0.00 0.00 34.50 30.81 6msf s PRO 78 CO 0.00 -0.53 0.00 1.33 -0.33 0.00 0.00 177.00 177.48 6msf n VAL 79 N 4.94 0.00 -4.01 3.83 0.24 -0.07 -4.69 118.33 118.57 6msf n VAL 79 Ca 0.12 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.11 6msf n VAL 79 Cb 0.46 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.67 6msf n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 6msf s ALA 80 N -2.00 2.10 0.28 2.33 0.00 -1.25 -2.16 121.76 121.06 6msf s ALA 80 Ca 0.00 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.67 6msf s ALA 80 Cb 0.00 -1.34 0.64 0.00 0.00 0.00 0.00 23.12 22.42 6msf s ALA 80 CO 0.00 -0.89 1.71 0.00 0.00 0.00 0.00 175.76 176.59 6msf h ALA 81 N 7.94 1.33 -2.69 0.00 0.00 -1.32 -3.45 119.26 121.06 6msf h ALA 81 Ca -0.26 0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.89 6msf h ALA 81 Cb 1.09 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 6msf h ALA 81 CO 0.48 -0.27 0.40 1.67 0.00 0.00 0.00 179.25 181.53 6msf s TRP 82 N -5.93 -0.03 0.01 0.00 1.48 -1.26 -5.04 118.94 108.17 6msf s TRP 82 Ca -0.12 -0.43 0.01 0.00 -1.06 0.00 0.00 56.10 54.50 6msf s TRP 82 Cb 0.24 0.72 -0.01 0.00 -1.16 0.00 0.00 33.47 33.26 6msf s TRP 82 CO 0.78 -1.13 -0.03 1.03 -4.06 0.00 0.00 176.95 173.53 6msf s ARG 83 N -2.90 0.27 -0.08 3.25 0.52 -1.26 -1.61 118.95 117.14 6msf s ARG 83 Ca 0.15 -0.24 -0.15 0.00 -0.52 0.00 0.00 55.73 54.97 6msf s ARG 83 Cb -0.04 -0.18 -0.05 0.00 0.52 0.00 0.00 34.95 35.21 6msf s ARG 83 CO 0.06 0.04 0.40 0.45 0.02 0.00 0.00 175.30 176.27 6msf s SER 84 N -0.43 6.67 -0.25 0.23 0.15 0.59 -4.94 113.70 115.73 6msf s SER 84 Ca -0.02 0.80 -0.01 0.00 0.70 0.00 0.00 55.95 57.41 6msf s SER 84 Cb -0.03 -2.24 0.03 0.00 -1.71 0.00 0.00 66.02 62.07 6msf s SER 84 CO -0.00 0.17 -0.07 -0.31 1.20 0.00 0.00 173.24 174.23 6msf s TYR 85 N -0.18 3.09 -0.20 3.44 1.51 -1.26 -1.44 117.35 122.30 6msf s TYR 85 Ca 0.22 -1.68 -0.09 0.00 -1.01 0.00 0.00 57.07 54.52 6msf s TYR 85 Cb -0.15 -2.04 -0.05 0.00 -0.11 0.00 0.00 41.96 39.62 6msf s TYR 85 CO 0.10 -0.76 0.10 -1.17 -1.11 0.00 0.00 175.55 172.71 6msf s LEU 86 N 1.29 3.99 -0.15 -1.29 2.96 -0.07 -4.99 118.68 120.42 6msf s LEU 86 Ca -0.01 0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 54.01 6msf s LEU 86 Cb -0.17 -2.03 0.04 0.00 0.50 0.00 0.00 46.19 44.53 6msf s LEU 86 CO -0.05 0.15 -0.01 0.21 -1.32 0.00 0.00 176.35 175.34 6msf s ASN 87 N 0.53 2.51 0.03 3.68 3.84 -1.26 -0.99 114.94 123.28 6msf s ASN 87 Ca 0.06 -0.56 0.06 0.00 0.21 0.00 0.00 52.86 52.63 6msf s ASN 87 Cb -0.12 -0.66 -0.02 0.00 -0.55 0.00 0.00 41.25 39.89 6msf s ASN 87 CO 0.00 -0.23 -0.17 0.00 -2.79 0.00 0.00 177.10 173.91 6msf s MET 88 N 1.81 1.20 -0.11 0.43 0.23 -0.17 -5.03 119.30 117.66 6msf s MET 88 Ca 0.01 -0.82 0.02 0.00 -1.03 0.00 0.00 55.69 53.87 6msf s MET 88 Cb -0.15 -1.25 0.01 0.00 -1.53 0.00 0.00 34.83 31.91 6msf s MET 88 CO -0.07 0.32 -0.16 -1.21 -2.03 0.00 0.00 175.02 171.87 6msf s GLU 89 N -1.05 2.31 -0.18 3.16 2.02 -1.26 -1.31 118.70 122.39 6msf s GLU 89 Ca 0.05 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.45 6msf s GLU 89 Cb -0.08 -1.94 0.02 0.00 0.10 0.00 0.00 34.13 32.23 6msf s GLU 89 CO 0.01 -0.04 -0.19 -1.17 0.02 0.00 0.00 175.26 173.89 6msf s LEU 90 N 0.92 2.19 -0.20 1.80 2.96 -0.35 -4.96 118.68 121.02 6msf s LEU 90 Ca -0.08 -0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 53.14 6msf s LEU 90 Cb -0.15 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 6msf s LEU 90 CO -0.01 0.00 0.03 -0.89 -1.32 0.00 0.00 176.35 174.17 6msf s THR 91 N 1.28 4.29 -0.09 3.68 2.01 -1.26 -0.12 115.64 125.43 6msf s THR 91 Ca 0.04 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.85 6msf s THR 91 Cb -0.13 -2.95 0.02 0.00 0.01 0.00 0.00 72.50 69.45 6msf s THR 91 CO -0.12 0.42 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.52 6msf s ILE 92 N 0.93 0.95 0.51 1.82 1.01 -0.28 -4.98 121.20 121.16 6msf s ILE 92 Ca 0.03 -0.29 -0.21 0.00 0.00 0.00 0.00 60.65 60.17 6msf s ILE 92 Cb -0.14 -0.95 -0.06 0.00 0.01 0.00 0.00 42.46 41.32 6msf s ILE 92 CO 0.02 0.34 1.20 -2.84 0.00 0.00 0.00 174.94 173.66 6msf s PRO 93 N 1.35 3.46 0.00 2.79 0.02 -1.26 -1.11 135.00 140.26 6msf s PRO 93 Ca -0.02 1.83 0.05 0.00 0.02 0.00 0.00 61.00 62.88 6msf s PRO 93 Cb -0.14 -2.24 0.29 0.00 0.02 0.00 0.00 34.50 32.44 6msf s PRO 93 CO -0.04 -0.81 0.96 0.44 -0.33 0.00 0.00 177.00 177.22 6msf n ILE 94 N -0.89 0.69 1.12 2.83 -5.35 0.48 -1.68 119.36 116.56 6msf n ILE 94 Ca 0.10 0.17 0.13 0.00 -0.27 0.00 0.00 62.75 62.88 6msf n ILE 94 Cb 0.48 -1.08 0.38 0.00 -1.74 0.00 0.00 39.64 37.68 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 -1.21 0.00 -2.27 4.28 3.72 -1.26 -4.86 117.46 115.86 6msf n PHE 95 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 6msf n PHE 95 Cb 0.04 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 38.31 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 -2.80 3.52 0.76 4.37 0.00 -0.68 -5.02 121.76 121.91 6msf s ALA 96 Ca 0.17 0.99 -0.04 0.00 0.00 0.00 0.00 51.96 53.08 6msf s ALA 96 Cb 0.18 -3.51 0.14 0.00 0.00 0.00 0.00 23.12 19.93 6msf s ALA 96 CO 0.60 -0.59 1.05 0.95 0.00 0.00 0.00 175.76 177.77 6msf s THR 97 N 1.28 2.12 0.33 0.00 -4.23 -1.26 -4.88 115.64 109.01 6msf s THR 97 Ca 0.62 -0.48 0.02 0.00 -1.18 0.00 0.00 61.69 60.67 6msf s THR 97 Cb -0.33 -2.64 0.21 0.00 1.34 0.00 0.00 72.50 71.07 6msf s THR 97 CO 0.29 0.00 1.93 0.78 -0.54 0.00 0.00 174.62 177.09 6msf h ASN 98 N -0.72 0.66 -0.24 3.99 4.21 -1.99 -1.49 115.58 120.01 6msf h ASN 98 Ca -0.38 -0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.05 6msf h ASN 98 Cb 1.26 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 38.28 6msf h ASN 98 CO 0.41 0.58 0.10 0.28 -1.29 0.00 0.00 177.43 177.51 6msf h SER 99 N 0.74 0.33 -0.77 5.81 0.02 -1.99 0.06 113.55 117.75 6msf h SER 99 Ca 0.18 -0.16 0.08 0.00 -0.84 0.00 0.00 61.79 61.06 6msf h SER 99 Cb 0.11 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 6msf h SER 99 CO -0.02 0.39 0.43 0.44 -1.14 0.00 0.00 176.83 176.93 6msf h ASP 100 N 0.24 0.61 -0.57 3.07 3.32 -1.78 -1.30 116.42 120.01 6msf h ASP 100 Ca 0.08 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 6msf h ASP 100 Cb 0.17 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 6msf h ASP 100 CO -0.01 0.36 -0.07 0.00 -1.72 0.00 0.00 179.24 177.80 6msf h GLU 102 N 0.95 0.92 -0.31 0.00 5.08 -0.30 -0.93 114.58 119.99 6msf h GLU 102 Ca 0.15 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 6msf h GLU 102 Cb 0.65 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 6msf h GLU 102 CO 0.04 0.66 0.09 1.25 -1.00 0.00 0.00 179.01 180.05 6msf h LEU 103 N 0.94 0.45 -0.63 1.33 5.85 -0.86 -1.34 115.31 121.05 6msf h LEU 103 Ca 0.24 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.79 6msf h LEU 103 Cb -0.02 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 6msf h LEU 103 CO -0.04 0.54 0.38 0.40 -0.34 0.00 0.00 178.44 179.38 6msf h ILE 104 N 0.34 1.05 -0.59 4.05 2.04 -0.60 -1.32 117.51 122.48 6msf h ILE 104 Ca 0.10 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 6msf h ILE 104 Cb 0.26 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 6msf h ILE 104 CO -0.00 0.13 0.30 0.58 0.00 0.00 0.00 178.15 179.17 6msf h VAL 105 N 0.74 1.20 -0.64 1.67 2.07 -0.96 -1.88 116.25 118.45 6msf h VAL 105 Ca 0.26 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.26 6msf h VAL 105 Cb 0.06 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 6msf h VAL 105 CO -0.12 0.23 0.40 0.11 0.02 0.00 0.00 177.57 178.21 6msf h LYS 106 N 0.80 0.77 -1.01 1.57 1.57 -0.67 -0.30 116.57 119.31 6msf h LYS 106 Ca 0.21 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 6msf h LYS 106 Cb 0.08 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 6msf h LYS 106 CO -0.03 0.51 0.67 0.00 -0.57 0.00 0.00 179.45 180.03 6msf h ALA 107 N 1.27 1.28 -0.40 3.86 0.00 -0.80 0.24 119.26 124.71 6msf h ALA 107 Ca 0.25 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 6msf h ALA 107 Cb -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 6msf h ALA 107 CO -0.10 0.66 0.14 0.52 0.00 0.00 0.00 179.25 180.47 6msf h MET 108 N 1.36 0.61 -0.63 0.00 2.86 -0.55 -0.46 114.93 118.12 6msf h MET 108 Ca 0.37 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.85 6msf h MET 108 Cb -0.14 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.39 6msf h MET 108 CO -0.08 0.60 0.26 1.96 1.06 0.00 0.00 176.91 180.71 6msf h GLN 109 N 0.50 0.94 -0.58 1.72 4.20 -0.37 -2.91 115.11 118.61 6msf h GLN 109 Ca 0.13 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 6msf h GLN 109 Cb 0.23 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 6msf h GLN 109 CO -0.01 0.78 0.10 0.78 -0.67 0.00 0.00 178.83 179.81 6msf h GLY 110 N 0.88 1.03 0.55 3.46 0.00 -0.30 -1.60 103.07 107.09 6msf h GLY 110 Ca 0.21 -0.68 0.17 0.00 0.00 0.00 0.00 47.33 47.03 6msf h GLY 110 CO -0.02 0.63 0.54 -2.00 0.00 0.00 0.00 176.54 175.69 6msf h LEU 111 N 0.85 0.36 -2.04 3.11 5.85 -0.89 -2.19 115.31 120.37 6msf h LEU 111 Ca 0.18 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.92 6msf h LEU 111 Cb 0.41 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.40 6msf h LEU 111 CO 0.01 0.17 0.00 0.18 -0.34 0.00 0.00 178.44 178.46 6msf n LEU 112 N -4.47 2.77 -4.73 2.25 4.77 -1.00 -4.34 117.00 112.26 6msf n LEU 112 Ca 0.16 -1.31 -0.40 0.00 -0.03 0.00 0.00 56.01 54.42 6msf n LEU 112 Cb 0.61 -0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.60 6msf n LEU 112 CO 0.33 0.57 0.96 1.17 -1.33 0.00 0.00 177.39 179.08 6msf n LYS 113 N 1.02 2.01 -1.64 3.23 4.81 -0.64 -4.77 118.16 122.19 6msf n LYS 113 Ca 0.13 0.72 -0.46 0.00 -0.87 0.00 0.00 58.31 57.82 6msf n LYS 113 Cb 0.47 -2.50 -0.03 0.00 0.02 0.00 0.00 35.03 32.99 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 -0.08 2.23 0.00 3.14 9.92 -1.26 -1.98 116.55 128.52 6msf n ASP 114 Ca 0.07 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.47 6msf n ASP 114 Cb 0.41 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 39.54 6msf n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 6msf n GLY 115 N 2.11 3.00 3.76 0.44 0.00 -1.26 -5.05 105.19 108.18 6msf n GLY 115 Ca 0.13 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 0.92 4.89 0.11 1.61 -0.87 -0.84 -4.82 114.94 115.94 6msf s ASN 116 Ca 0.00 2.00 -0.26 0.00 -1.57 0.00 0.00 52.86 53.03 6msf s ASN 116 Cb 0.00 -2.55 -0.08 0.00 -0.02 0.00 0.00 41.25 38.60 6msf s ASN 116 CO 0.00 -1.78 1.44 -0.65 -2.57 0.00 0.00 177.10 173.53 6msf h PRO 117 N -0.24 -0.25 -0.08 -0.60 0.11 -1.89 -2.11 132.00 126.94 6msf h PRO 117 Ca -0.46 0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.70 6msf h PRO 117 Cb 1.25 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.37 6msf h PRO 117 CO 0.53 -0.16 -0.17 0.82 -0.21 0.00 0.00 178.00 178.81 6msf h ILE 118 N -0.26 0.57 -0.63 4.15 5.03 -1.94 -0.29 117.51 124.15 6msf h ILE 118 Ca 0.07 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 64.76 6msf h ILE 118 Cb 0.45 0.57 -0.03 0.00 -3.03 0.00 0.00 36.82 34.78 6msf h ILE 118 CO -0.53 0.00 0.17 1.55 -0.68 0.00 0.00 178.15 178.66 6msf h PRO 119 N -0.24 0.98 -0.32 2.37 0.13 -1.74 -1.83 132.00 131.35 6msf h PRO 119 Ca 0.08 -0.21 0.01 0.00 -0.87 0.00 0.00 66.00 65.01 6msf h PRO 119 Cb 0.35 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.32 6msf h PRO 119 CO -0.22 0.86 0.19 0.77 -0.23 0.00 0.00 178.00 179.37 6msf h SER 120 N 0.94 0.31 0.33 1.44 0.02 -1.00 -0.62 113.55 114.97 6msf h SER 120 Ca 0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 6msf h SER 120 Cb 0.31 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 6msf h SER 120 CO -0.00 0.23 -0.19 0.00 -1.14 0.00 0.00 176.83 175.72 6msf h ALA 121 N 1.14 -0.49 -0.35 3.77 0.00 -0.84 -2.86 119.26 119.65 6msf h ALA 121 Ca 0.12 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.99 6msf h ALA 121 Cb -0.01 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 6msf h ALA 121 CO -0.05 -0.78 0.06 0.82 0.00 0.00 0.00 179.25 179.29 6msf h ILE 122 N -0.49 0.82 0.00 0.00 2.04 -1.18 0.11 117.51 118.81 6msf h ILE 122 Ca -0.04 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.76 6msf h ILE 122 Cb 0.40 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 6msf h ILE 122 CO 0.05 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.23 6msf n ALA 123 N -2.41 1.42 -1.59 1.87 0.00 -0.25 -2.16 120.51 117.39 6msf n ALA 123 Ca 0.01 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.49 6msf n ALA 123 Cb 0.16 -1.12 0.15 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.39 2.96 -2.21 0.00 0.00 -0.55 -4.94 120.51 114.37 6msf n ALA 124 Ca 0.03 -2.81 -0.12 0.00 0.00 0.00 0.00 53.44 50.53 6msf n ALA 124 Cb 0.07 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.93 -3.68 -4.74 0.00 3.02 -0.92 -4.91 115.26 103.11 6msf n ASN 125 Ca 0.15 0.22 -0.26 0.00 -0.03 0.00 0.00 54.58 54.66 6msf n ASN 125 Cb 0.73 -3.20 -0.07 0.00 -0.61 0.00 0.00 39.78 36.63 6msf n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 6msf s SER 126 N -2.03 4.33 0.00 6.41 0.01 0.27 -5.03 113.70 117.66 6msf s SER 126 Ca 0.00 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.05 6msf s SER 126 Cb 0.00 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.98 6msf s SER 126 CO 0.00 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.63 6msf n GLY 127 N -1.26 4.37 3.87 3.44 0.00 -1.26 -4.05 105.19 110.30 6msf n GLY 127 Ca -0.04 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.70 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 2.04 5.31 0.00 -0.61 -1.09 -1.26 -4.75 121.20 120.84 6msf s ILE 128 Ca 0.00 0.40 0.00 0.00 -2.23 0.00 0.00 60.65 58.82 6msf s ILE 128 Cb 0.00 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 6msf s ILE 128 CO 0.00 0.55 0.00 0.00 -1.23 0.00 0.00 174.94 174.26