#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7msf n SER 2 N 0.00 0.00 0.06 0.00 2.88 -1.26 -5.07 113.62 110.22 7msf n SER 2 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 7msf n SER 2 Cb 0.00 0.00 0.49 0.00 -0.75 0.00 0.00 64.21 63.95 7msf n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 7msf n ASN 3 N 0.00 0.45 -3.87 -3.46 2.04 -1.26 -4.62 115.26 104.55 7msf n ASN 3 Ca 0.00 0.51 -0.41 0.00 -0.44 0.00 0.00 54.58 54.25 7msf n ASN 3 Cb 0.00 -0.62 -0.04 0.00 -2.53 0.00 0.00 39.78 36.59 7msf n ASN 3 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 7msf n PHE 4 N -1.91 2.47 -4.43 -2.53 7.35 -1.26 -4.85 117.46 112.31 7msf n PHE 4 Ca 0.06 -2.01 -0.21 0.00 -0.76 0.00 0.00 57.45 54.53 7msf n PHE 4 Cb 0.39 -2.06 -0.10 0.00 0.35 0.00 0.00 39.48 38.05 7msf n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 7msf s THR 5 N 5.69 1.29 0.66 -2.13 -4.23 -1.26 -4.90 115.64 110.75 7msf s THR 5 Ca 0.57 -2.03 -0.12 0.00 -1.18 0.00 0.00 61.69 58.93 7msf s THR 5 Cb 0.11 -2.65 -0.00 0.00 1.34 0.00 0.00 72.50 71.29 7msf s THR 5 CO 0.08 -0.12 1.06 0.00 -0.54 0.00 0.00 174.62 175.11 7msf s GLN 6 N -3.85 3.03 0.22 3.99 -2.07 -1.26 -4.70 119.66 115.02 7msf s GLN 6 Ca 0.34 1.06 -0.20 0.00 -1.82 0.00 0.00 55.36 54.73 7msf s GLN 6 Cb 0.07 -2.00 0.03 0.00 -1.09 0.00 0.00 33.01 30.03 7msf s GLN 6 CO 0.14 -1.03 0.60 -0.59 -1.32 0.00 0.00 175.29 173.09 7msf s PHE 7 N -2.83 -0.22 -0.35 9.60 -0.71 -0.74 -5.01 117.98 117.73 7msf s PHE 7 Ca 0.60 -0.13 -0.25 0.00 -1.04 0.00 0.00 56.93 56.11 7msf s PHE 7 Cb -0.15 0.53 0.01 0.00 -1.21 0.00 0.00 43.02 42.20 7msf s PHE 7 CO 0.49 -1.01 0.90 0.08 -1.34 0.00 0.00 175.22 174.33 7msf s VAL 8 N -3.87 4.64 -0.11 -2.49 1.01 -1.26 -1.22 120.40 117.10 7msf s VAL 8 Ca 0.08 1.24 -0.20 0.00 0.00 0.00 0.00 61.98 63.10 7msf s VAL 8 Cb -0.03 -4.29 -0.27 0.00 0.00 0.00 0.00 36.38 31.80 7msf s VAL 8 CO -0.01 -0.45 0.62 0.25 0.00 0.00 0.00 175.10 175.51 7msf h LEU 9 N 9.89 0.29 -7.96 3.92 5.85 -1.24 -3.44 115.31 122.61 7msf h LEU 9 Ca -0.23 -0.85 -0.67 0.00 0.84 0.00 0.00 57.88 56.96 7msf h LEU 9 Cb 1.08 -0.09 -0.35 0.00 0.37 0.00 0.00 40.66 41.67 7msf h LEU 9 CO 0.96 1.45 -0.78 -0.69 -0.34 0.00 0.00 178.44 179.04 7msf s VAL 10 N -2.41 2.43 -0.45 1.05 1.01 -0.98 -5.00 120.40 116.05 7msf s VAL 10 Ca -0.20 -1.45 -0.19 0.00 0.00 0.00 0.00 61.98 60.15 7msf s VAL 10 Cb 0.03 -2.37 0.04 0.00 0.00 0.00 0.00 36.38 34.07 7msf s VAL 10 CO 0.74 0.03 0.55 -0.62 0.00 0.00 0.00 175.10 175.80 7msf s ASP 11 N 1.18 6.24 -0.31 3.32 2.15 -1.26 -0.66 116.67 127.32 7msf s ASP 11 Ca -0.06 -0.67 0.09 0.00 0.43 0.00 0.00 52.55 52.34 7msf s ASP 11 Cb -0.19 -2.27 0.56 0.00 -0.30 0.00 0.00 42.92 40.72 7msf s ASP 11 CO -0.05 -0.74 1.58 0.59 -0.17 0.00 0.00 175.17 176.38 7msf n ASN 12 N 5.96 3.15 -1.80 -0.34 3.02 -1.26 -4.94 115.26 119.05 7msf n ASN 12 Ca -0.06 -3.57 -0.03 0.00 -0.03 0.00 0.00 54.58 50.90 7msf n ASN 12 Cb 0.47 -0.67 0.01 0.00 -0.61 0.00 0.00 39.78 38.98 7msf n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 7msf n GLY 13 N -0.94 0.54 4.75 7.41 0.00 -1.26 -4.17 105.19 111.52 7msf n GLY 13 Ca 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.26 7msf n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7msf n GLY 14 N -1.45 0.49 3.40 -0.02 0.00 -1.26 -4.83 105.19 101.52 7msf n GLY 14 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 7msf n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 7msf s THR 15 N 0.00 4.45 0.00 2.61 -1.32 -1.26 -4.25 115.64 115.88 7msf s THR 15 Ca 0.00 -0.64 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 7msf s THR 15 Cb 0.00 -3.35 0.00 0.00 -1.51 0.00 0.00 72.50 67.64 7msf s THR 15 CO 0.00 -0.04 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 7msf n GLY 16 N 4.96 1.09 3.79 6.08 0.00 -1.26 -4.74 105.19 115.11 7msf n GLY 16 Ca -0.13 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 7msf n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 7msf s ASP 17 N -2.20 6.72 -0.30 1.61 1.11 -1.26 -4.48 116.67 117.86 7msf s ASP 17 Ca 0.00 1.96 -0.06 0.00 0.18 0.00 0.00 52.55 54.63 7msf s ASP 17 Cb 0.00 -2.57 0.02 0.00 1.07 0.00 0.00 42.92 41.43 7msf s ASP 17 CO 0.00 -0.52 0.08 -0.69 1.18 0.00 0.00 175.17 175.22 7msf s VAL 18 N -1.79 3.84 -0.04 -1.27 1.01 0.16 -4.99 120.40 117.33 7msf s VAL 18 Ca 0.60 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 7msf s VAL 18 Cb -0.19 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 7msf s VAL 18 CO 0.24 0.01 0.17 -0.89 0.00 0.00 0.00 175.10 174.63 7msf s THR 19 N 1.46 5.43 -0.04 3.92 2.01 -1.26 -0.69 115.64 126.47 7msf s THR 19 Ca 0.01 -0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.02 7msf s THR 19 Cb -0.18 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 7msf s THR 19 CO 0.02 0.42 -0.21 0.54 -0.69 0.00 0.00 174.62 174.70 7msf s VAL 20 N -1.23 1.70 0.14 3.82 0.11 -0.36 -4.35 120.40 120.23 7msf s VAL 20 Ca 0.23 -0.88 0.06 0.00 -2.93 0.00 0.00 61.98 58.46 7msf s VAL 20 Cb -0.12 -1.44 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 7msf s VAL 20 CO 0.14 0.48 -0.12 0.00 -3.33 0.00 0.00 175.10 172.26 7msf s ALA 21 N -0.15 1.54 0.11 1.54 0.00 -0.72 -1.78 121.76 122.30 7msf s ALA 21 Ca -0.01 -1.42 -0.35 0.00 0.00 0.00 0.00 51.96 50.17 7msf s ALA 21 Cb -0.12 -0.02 -0.15 0.00 0.00 0.00 0.00 23.12 22.83 7msf s ALA 21 CO 0.02 0.01 1.49 -2.30 0.00 0.00 0.00 175.76 174.98 7msf n PRO 22 N 0.11 1.70 0.00 0.00 -0.02 -1.26 -1.20 135.00 134.33 7msf n PRO 22 Ca -0.12 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 7msf n PRO 22 Cb 0.59 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 7msf n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 7msf n SER 23 N 3.15 0.04 -3.62 2.55 3.41 0.39 -4.86 113.62 114.68 7msf n SER 23 Ca 0.18 -0.25 -0.06 0.00 -0.26 0.00 0.00 58.87 58.48 7msf n SER 23 Cb 0.24 0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.41 7msf n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 7msf s ASN 24 N -0.27 -0.22 -0.01 4.04 3.84 -1.20 -4.99 114.94 116.13 7msf s ASN 24 Ca 0.00 0.29 0.02 0.00 0.21 0.00 0.00 52.86 53.39 7msf s ASN 24 Cb 0.00 0.26 0.03 0.00 -0.55 0.00 0.00 41.25 40.99 7msf s ASN 24 CO 0.00 -0.16 0.94 0.33 -2.79 0.00 0.00 177.10 175.42 7msf n PHE 25 N 1.00 0.00 -1.72 0.43 7.35 -1.25 -1.00 117.46 122.27 7msf n PHE 25 Ca -0.07 -0.13 -0.42 0.00 -0.76 0.00 0.00 57.45 56.07 7msf n PHE 25 Cb 0.58 -0.05 -0.03 0.00 0.35 0.00 0.00 39.48 40.33 7msf n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 7msf n ALA 26 N -0.18 2.77 -2.35 3.13 0.00 -1.25 -2.16 120.51 120.48 7msf n ALA 26 Ca 0.02 0.40 -0.16 0.00 0.00 0.00 0.00 53.44 53.69 7msf n ALA 26 Cb 0.65 -2.51 -0.00 0.00 0.00 0.00 0.00 19.45 17.58 7msf n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 7msf n ASN 27 N 3.67 -4.84 0.00 0.00 3.02 -1.26 -2.36 115.26 113.50 7msf n ASN 27 Ca 0.15 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 7msf n ASN 27 Cb 0.35 -3.93 0.00 0.00 -0.61 0.00 0.00 39.78 35.59 7msf n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 7msf n GLY 28 N -1.04 0.83 3.62 7.41 0.00 -0.92 -4.94 105.19 110.15 7msf n GLY 28 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 7msf n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 7msf s VAL 29 N -2.32 4.68 0.18 1.61 1.01 -0.99 -4.81 120.40 119.75 7msf s VAL 29 Ca 0.00 1.42 -0.29 0.00 0.00 0.00 0.00 61.98 63.11 7msf s VAL 29 Cb 0.00 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.04 7msf s VAL 29 CO 0.00 -0.34 0.91 0.00 0.00 0.00 0.00 175.10 175.66 7msf s ALA 30 N 3.24 3.33 -0.00 5.51 0.00 -0.66 -3.86 121.76 129.32 7msf s ALA 30 Ca 0.38 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.91 7msf s ALA 30 Cb -0.13 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 7msf s ALA 30 CO 0.13 0.15 -0.09 -2.00 0.00 0.00 0.00 175.76 173.96 7msf s GLU 31 N -0.77 0.68 0.04 0.00 2.12 -0.17 -1.52 118.70 119.07 7msf s GLU 31 Ca 0.42 -0.33 0.04 0.00 0.36 0.00 0.00 54.97 55.45 7msf s GLU 31 Cb -0.24 -0.65 -0.02 0.00 0.26 0.00 0.00 34.13 33.47 7msf s GLU 31 CO 0.30 0.18 -0.13 -1.58 -0.54 0.00 0.00 175.26 173.49 7msf s TRP 32 N -0.27 1.09 0.05 5.30 0.51 0.38 -0.46 118.94 125.55 7msf s TRP 32 Ca 0.03 -0.35 -0.11 0.00 -2.12 0.00 0.00 56.10 53.55 7msf s TRP 32 Cb -0.04 -0.65 0.01 0.00 -0.81 0.00 0.00 33.47 31.98 7msf s TRP 32 CO -0.00 0.02 0.23 0.96 -0.51 0.00 0.00 176.95 177.64 7msf s ILE 33 N -0.86 0.11 0.65 2.03 -4.36 -0.34 -1.30 121.20 117.12 7msf s ILE 33 Ca 0.00 -0.87 -0.08 0.00 -0.26 0.00 0.00 60.65 59.44 7msf s ILE 33 Cb -0.08 -0.98 0.02 0.00 1.25 0.00 0.00 42.46 42.67 7msf s ILE 33 CO 0.01 -0.48 0.98 -0.94 0.24 0.00 0.00 174.94 174.75 7msf s SER 34 N -2.20 5.42 -1.18 4.36 1.04 -0.73 -1.76 113.70 118.66 7msf s SER 34 Ca -0.03 0.81 -0.19 0.00 0.48 0.00 0.00 55.95 57.01 7msf s SER 34 Cb -0.00 -1.69 -0.03 0.00 0.10 0.00 0.00 66.02 64.39 7msf s SER 34 CO -0.05 -1.24 1.94 -0.24 0.98 0.00 0.00 173.24 174.63 7msf n SER 35 N -2.77 3.63 -3.52 7.02 2.88 -1.26 -4.70 113.62 114.89 7msf n SER 35 Ca 0.06 -2.78 -0.14 0.00 -1.33 0.00 0.00 58.87 54.67 7msf n SER 35 Cb 0.58 -1.58 -0.06 0.00 -0.75 0.00 0.00 64.21 62.40 7msf n SER 35 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 7msf s ASN 36 N 4.84 0.77 0.59 -3.46 0.01 -1.26 -5.06 114.94 111.38 7msf s ASN 36 Ca 0.58 -1.43 -0.17 0.00 -0.71 0.00 0.00 52.86 51.12 7msf s ASN 36 Cb 0.07 0.59 -0.03 0.00 0.41 0.00 0.00 41.25 42.29 7msf s ASN 36 CO 0.07 -1.17 1.10 -0.94 -1.51 0.00 0.00 177.10 174.65 7msf s SER 37 N -3.21 5.55 0.57 -1.22 1.04 -1.26 -4.72 113.70 110.44 7msf s SER 37 Ca 0.32 2.02 0.26 0.00 0.48 0.00 0.00 55.95 59.03 7msf s SER 37 Cb 0.01 -2.56 1.57 0.00 0.10 0.00 0.00 66.02 65.14 7msf s SER 37 CO 0.19 -1.33 2.10 0.03 0.98 0.00 0.00 173.24 175.21 7msf h ARG 38 N 0.63 0.00 0.00 4.02 2.47 -1.96 0.52 114.38 120.06 7msf h ARG 38 Ca -0.48 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.12 7msf h ARG 38 Cb 1.24 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.55 7msf h ARG 38 CO 0.56 0.00 -0.56 0.66 0.56 0.00 0.00 179.97 181.19 7msf h SER 39 N 0.00 0.00 -0.13 7.04 4.64 -1.98 -3.27 113.55 119.84 7msf h SER 39 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 7msf h SER 39 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 7msf h SER 39 CO -0.00 0.56 0.00 0.00 -0.87 0.00 0.00 176.83 176.52 7msf n GLN 40 N -3.60 1.44 -1.56 4.77 6.02 -0.33 -4.99 117.38 119.12 7msf n GLN 40 Ca -0.00 -1.45 -0.29 0.00 -0.01 0.00 0.00 57.00 55.25 7msf n GLN 40 Cb 0.62 -1.19 0.11 0.00 1.02 0.00 0.00 30.24 30.80 7msf n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 7msf s ALA 41 N -0.86 2.10 -0.22 -1.58 0.00 0.03 -4.67 121.76 116.55 7msf s ALA 41 Ca 0.14 -0.34 -0.11 0.00 0.00 0.00 0.00 51.96 51.65 7msf s ALA 41 Cb 0.09 -3.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 7msf s ALA 41 CO 0.12 -1.92 0.17 0.71 0.00 0.00 0.00 175.76 174.84 7msf s TYR 42 N -3.22 3.35 -0.00 0.00 1.51 -1.26 -4.28 117.35 113.45 7msf s TYR 42 Ca 0.62 0.29 0.06 0.00 -1.01 0.00 0.00 57.07 57.03 7msf s TYR 42 Cb -0.14 -2.26 -0.02 0.00 -0.11 0.00 0.00 41.96 39.43 7msf s TYR 42 CO 0.54 0.12 -0.20 0.21 -1.11 0.00 0.00 175.55 175.11 7msf s LYS 43 N 0.88 1.53 -0.03 -0.62 2.20 -0.61 -1.77 119.74 121.32 7msf s LYS 43 Ca 0.09 -0.76 0.01 0.00 -0.36 0.00 0.00 55.97 54.94 7msf s LYS 43 Cb -0.13 -1.52 0.02 0.00 -1.51 0.00 0.00 37.83 34.70 7msf s LYS 43 CO 0.03 0.41 -0.01 0.08 -0.36 0.00 0.00 175.35 175.50 7msf s VAL 44 N -0.55 0.22 0.05 4.02 1.01 -0.42 -0.17 120.40 124.57 7msf s VAL 44 Ca 0.07 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.14 7msf s VAL 44 Cb -0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 7msf s VAL 44 CO -0.00 0.15 -0.12 0.42 0.00 0.00 0.00 175.10 175.55 7msf s THR 45 N 0.92 0.92 -0.04 3.92 -4.23 -0.32 -0.47 115.64 116.33 7msf s THR 45 Ca -0.10 -1.12 -0.10 0.00 -1.18 0.00 0.00 61.69 59.19 7msf s THR 45 Cb -0.13 -0.89 0.02 0.00 1.34 0.00 0.00 72.50 72.83 7msf s THR 45 CO -0.01 -0.20 0.22 0.00 -0.54 0.00 0.00 174.62 174.09 7msf s SER 47 N -0.69 -0.61 0.07 0.00 1.04 -0.90 -1.65 113.70 110.96 7msf s SER 47 Ca -0.08 0.44 0.06 0.00 0.48 0.00 0.00 55.95 56.85 7msf s SER 47 Cb -0.04 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 7msf s SER 47 CO 0.02 -0.73 -0.16 -0.69 0.98 0.00 0.00 173.24 172.66 7msf s VAL 48 N -2.11 1.24 0.16 5.02 1.01 -1.26 -0.94 120.40 123.51 7msf s VAL 48 Ca -0.07 -1.26 -0.23 0.00 0.00 0.00 0.00 61.98 60.42 7msf s VAL 48 Cb -0.00 -1.16 0.07 0.00 0.00 0.00 0.00 36.38 35.29 7msf s VAL 48 CO 0.02 -0.12 0.60 0.00 0.00 0.00 0.00 175.10 175.60 7msf s ARG 49 N -1.59 1.27 -0.69 2.72 1.70 -0.84 -4.99 118.95 116.53 7msf s ARG 49 Ca 0.01 -0.46 -0.23 0.00 -0.47 0.00 0.00 55.73 54.58 7msf s ARG 49 Cb -0.09 0.59 0.07 0.00 -0.57 0.00 0.00 34.95 34.94 7msf s ARG 49 CO 0.02 -0.56 1.02 -1.14 -1.08 0.00 0.00 175.30 173.56 7msf s GLN 50 N -3.72 3.16 0.46 3.89 2.00 -1.26 -0.02 119.66 124.17 7msf s GLN 50 Ca 0.01 -0.86 0.24 0.00 -2.00 0.00 0.00 55.36 52.75 7msf s GLN 50 Cb -0.01 -4.30 1.09 0.00 0.80 0.00 0.00 33.01 30.59 7msf s GLN 50 CO -0.13 -1.85 1.91 0.66 -0.50 0.00 0.00 175.29 175.38 7msf h SER 51 N 9.56 0.00 -3.00 6.67 4.64 -1.82 -3.47 113.55 126.14 7msf h SER 51 Ca -0.24 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.04 7msf h SER 51 Cb 1.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.16 7msf h SER 51 CO 1.19 0.21 0.26 -1.54 -0.87 0.00 0.00 176.83 176.08 7msf n SER 52 N -3.54 -2.24 -0.26 4.97 3.41 -1.16 -5.00 113.62 109.80 7msf n SER 52 Ca -0.01 -2.59 -0.01 0.00 -0.26 0.00 0.00 58.87 56.00 7msf n SER 52 Cb 0.36 3.74 0.18 0.00 -0.26 0.00 0.00 64.21 68.23 7msf n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 7msf h ALA 53 N 2.00 1.32 0.00 7.33 0.00 -2.03 -3.14 119.26 124.74 7msf h ALA 53 Ca -0.33 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.48 7msf h ALA 53 Cb 1.22 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.69 7msf h ALA 53 CO 0.42 0.58 -1.39 1.04 0.00 0.00 0.00 179.25 179.89 7msf n GLN 54 N -4.37 0.27 -4.43 0.00 1.13 -1.26 -4.90 117.38 103.82 7msf n GLN 54 Ca 0.09 -0.08 -0.26 0.00 -1.94 0.00 0.00 57.00 54.81 7msf n GLN 54 Cb 0.07 -1.51 -0.11 0.00 0.11 0.00 0.00 30.24 28.80 7msf n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 7msf s ASN 55 N -3.63 3.54 0.05 1.08 0.01 -1.19 0.60 114.94 115.40 7msf s ASN 55 Ca 0.02 -0.90 0.08 0.00 -0.71 0.00 0.00 52.86 51.35 7msf s ASN 55 Cb 0.15 -0.30 -0.03 0.00 0.41 0.00 0.00 41.25 41.48 7msf s ASN 55 CO 0.88 0.09 -0.23 -0.13 -1.51 0.00 0.00 177.10 176.20 7msf s ARG 56 N -2.96 1.54 -0.05 -0.60 0.52 -0.27 -2.68 118.95 114.45 7msf s ARG 56 Ca 0.24 -1.05 0.01 0.00 -0.52 0.00 0.00 55.73 54.42 7msf s ARG 56 Cb -0.07 -1.72 0.02 0.00 0.52 0.00 0.00 34.95 33.70 7msf s ARG 56 CO 0.12 0.44 -0.07 0.21 0.02 0.00 0.00 175.30 176.02 7msf s LYS 57 N -1.30 1.11 -0.17 3.54 2.20 0.97 -0.42 119.74 125.67 7msf s LYS 57 Ca 0.10 -0.20 -0.09 0.00 -0.36 0.00 0.00 55.97 55.41 7msf s LYS 57 Cb -0.09 -1.03 -0.05 0.00 -1.51 0.00 0.00 37.83 35.15 7msf s LYS 57 CO 0.02 -0.05 0.12 0.71 -0.36 0.00 0.00 175.35 175.79 7msf s TYR 58 N 0.84 3.43 -0.22 4.03 2.02 0.89 -1.98 117.35 126.36 7msf s TYR 58 Ca -0.12 0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.93 7msf s TYR 58 Cb -0.15 -2.09 0.03 0.00 -0.40 0.00 0.00 41.96 39.36 7msf s TYR 58 CO 0.01 0.39 -0.14 0.99 -1.57 0.00 0.00 175.55 175.23 7msf s THR 59 N -0.01 2.34 -0.10 -0.71 2.01 -0.12 -0.75 115.64 118.30 7msf s THR 59 Ca 0.09 -1.12 0.03 0.00 0.31 0.00 0.00 61.69 61.00 7msf s THR 59 Cb -0.11 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 7msf s THR 59 CO -0.00 0.30 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.40 7msf s ILE 60 N 1.26 2.46 0.00 1.82 1.01 0.02 -2.11 121.20 125.65 7msf s ILE 60 Ca 0.00 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.81 7msf s ILE 60 Cb -0.16 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 7msf s ILE 60 CO -0.08 0.55 -0.15 -0.54 0.00 0.00 0.00 174.94 174.72 7msf s LYS 61 N 0.17 1.13 0.00 2.79 1.02 -0.55 0.26 119.74 124.57 7msf s LYS 61 Ca -0.11 -0.59 0.02 0.00 0.02 0.00 0.00 55.97 55.31 7msf s LYS 61 Cb -0.16 -1.11 -0.01 0.00 -0.52 0.00 0.00 37.83 36.03 7msf s LYS 61 CO 0.06 0.30 -0.06 0.08 -0.92 0.00 0.00 175.35 174.81 7msf s VAL 62 N -0.46 0.48 -0.13 3.17 1.01 0.09 -1.18 120.40 123.38 7msf s VAL 62 Ca 0.05 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.64 7msf s VAL 62 Cb -0.06 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 35.90 7msf s VAL 62 CO -0.00 0.04 -0.16 -1.61 0.00 0.00 0.00 175.10 173.36 7msf s GLU 63 N -0.40 2.41 -0.10 2.72 2.02 0.76 -0.55 118.70 125.56 7msf s GLU 63 Ca 0.00 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.40 7msf s GLU 63 Cb -0.04 -2.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.12 7msf s GLU 63 CO -0.00 -0.10 -0.19 0.08 0.02 0.00 0.00 175.26 175.07 7msf s VAL 64 N 1.09 2.58 0.32 2.63 1.01 -0.44 -1.57 120.40 126.02 7msf s VAL 64 Ca -0.03 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 7msf s VAL 64 Cb -0.14 -2.02 -0.10 0.00 0.00 0.00 0.00 36.38 34.11 7msf s VAL 64 CO -0.04 0.55 0.95 -2.16 0.00 0.00 0.00 175.10 174.39 7msf s PRO 65 N 0.13 4.60 -0.15 2.72 0.04 -1.26 -1.03 135.00 140.05 7msf s PRO 65 Ca -0.10 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 61.99 7msf s PRO 65 Cb -0.16 -2.82 -0.01 0.00 0.04 0.00 0.00 34.50 31.55 7msf s PRO 65 CO 0.06 0.29 1.10 0.21 0.04 0.00 0.00 177.00 178.70 7msf s LYS 66 N -2.01 4.32 -0.17 4.56 2.20 -0.03 -4.92 119.74 123.69 7msf s LYS 66 Ca 0.50 1.48 0.11 0.00 -0.36 0.00 0.00 55.97 57.70 7msf s LYS 66 Cb -0.19 -3.62 -0.23 0.00 -1.51 0.00 0.00 37.83 32.28 7msf s LYS 66 CO 0.24 -0.51 0.15 0.28 -0.36 0.00 0.00 175.35 175.14 7msf n VAL 67 N 4.97 1.50 -1.68 4.02 0.31 -1.26 -4.67 118.33 121.51 7msf n VAL 67 Ca 0.11 -0.76 -0.47 0.00 -0.01 0.00 0.00 64.34 63.21 7msf n VAL 67 Cb 0.47 -0.92 -0.04 0.00 -0.91 0.00 0.00 33.84 32.43 7msf n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 7msf n ALA 68 N -2.85 1.19 -1.37 3.52 0.00 -1.26 -0.94 120.51 118.80 7msf n ALA 68 Ca -0.33 0.33 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 7msf n ALA 68 Cb 1.09 -2.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.01 7msf n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 7msf n THR 69 N 4.61 0.00 -2.27 0.00 -2.24 -1.26 -4.99 114.28 108.13 7msf n THR 69 Ca 0.20 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.64 7msf n THR 69 Cb 0.31 -1.44 -0.00 0.00 -2.10 0.00 0.00 70.33 67.10 7msf n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 7msf s GLN 70 N -2.97 3.41 -0.43 -0.78 0.74 -0.11 -5.01 119.66 114.50 7msf s GLN 70 Ca 0.00 1.49 -0.01 0.00 0.05 0.00 0.00 55.36 56.90 7msf s GLN 70 Cb 0.00 -2.03 0.12 0.00 1.10 0.00 0.00 33.01 32.20 7msf s GLN 70 CO 0.00 -0.78 0.20 0.99 -0.55 0.00 0.00 175.29 175.16 7msf s THR 71 N -1.93 3.04 -0.12 -0.34 2.01 -1.26 -5.07 115.64 111.97 7msf s THR 71 Ca 0.70 -2.36 -0.37 0.00 0.31 0.00 0.00 61.69 59.97 7msf s THR 71 Cb -0.21 -3.10 -0.15 0.00 0.01 0.00 0.00 72.50 69.05 7msf s THR 71 CO 0.27 -0.70 1.68 0.52 -0.69 0.00 0.00 174.62 175.70 7msf n VAL 72 N 4.23 0.28 -0.97 3.82 0.31 -1.26 -0.80 118.33 123.95 7msf n VAL 72 Ca 0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 7msf n VAL 72 Cb 0.40 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 7msf n VAL 72 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 7msf n GLY 73 N 3.84 0.79 3.96 2.92 0.00 -1.26 -5.02 105.19 110.42 7msf n GLY 73 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 7msf n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 7msf s GLY 74 N -2.00 1.77 -0.44 -0.02 0.00 0.02 -5.05 107.32 101.61 7msf s GLY 74 Ca 0.00 -1.32 -0.18 0.00 0.00 0.00 0.00 44.72 43.22 7msf s GLY 74 CO 0.00 -0.91 0.50 0.14 0.00 0.00 0.00 173.10 172.82 7msf s VAL 75 N -3.03 5.02 -0.28 1.40 1.01 -1.26 -5.00 120.40 118.25 7msf s VAL 75 Ca 0.61 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.23 7msf s VAL 75 Cb -0.09 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.20 7msf s VAL 75 CO 0.42 -0.51 0.04 -1.61 0.00 0.00 0.00 175.10 173.44 7msf s GLU 76 N 2.30 2.95 0.06 2.72 2.02 -1.26 -5.09 118.70 122.41 7msf s GLU 76 Ca 0.14 -0.93 0.08 0.00 0.02 0.00 0.00 54.97 54.28 7msf s GLU 76 Cb -0.17 -3.26 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 7msf s GLU 76 CO 0.14 -0.45 -0.22 -0.51 0.02 0.00 0.00 175.26 174.24 7msf s LEU 77 N 1.43 2.21 0.26 1.80 2.01 -1.26 -4.05 118.68 121.08 7msf s LEU 77 Ca 0.01 -0.58 -0.24 0.00 0.01 0.00 0.00 54.13 53.33 7msf s LEU 77 Cb -0.17 -1.03 -0.09 0.00 0.01 0.00 0.00 46.19 44.91 7msf s LEU 77 CO 0.00 0.16 0.84 -2.16 1.01 0.00 0.00 176.35 176.20 7msf s PRO 78 N -1.40 4.47 0.30 1.29 0.04 -1.26 -5.02 135.00 133.41 7msf s PRO 78 Ca 0.09 1.14 0.05 0.00 0.04 0.00 0.00 61.00 62.32 7msf s PRO 78 Cb -0.09 -2.91 0.78 0.00 0.04 0.00 0.00 34.50 32.32 7msf s PRO 78 CO 0.03 0.37 1.70 0.28 0.04 0.00 0.00 177.00 179.42 7msf h VAL 79 N 2.77 0.48 0.00 -0.36 2.07 -2.00 0.06 116.25 119.27 7msf h VAL 79 Ca -0.47 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 7msf h VAL 79 Cb 1.19 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 7msf h VAL 79 CO 0.65 0.08 -0.01 0.00 0.02 0.00 0.00 177.57 178.31 7msf h ALA 80 N 1.72 1.10 0.00 1.67 0.00 -1.93 -1.15 119.26 120.67 7msf h ALA 80 Ca 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.48 7msf h ALA 80 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 7msf h ALA 80 CO -0.52 0.02 -0.44 0.00 0.00 0.00 0.00 179.25 178.30 7msf h ALA 81 N 1.99 0.75 -0.29 0.00 0.00 -1.38 -3.34 119.26 116.99 7msf h ALA 81 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 7msf h ALA 81 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 7msf h ALA 81 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 179.25 180.16 7msf n TRP 82 N -2.62 0.39 -3.91 0.00 7.02 -0.46 -4.92 117.44 112.94 7msf n TRP 82 Ca 0.03 -0.39 -0.11 0.00 -1.02 0.00 0.00 57.50 56.02 7msf n TRP 82 Cb 0.50 -0.02 -0.12 0.00 -2.42 0.00 0.00 31.31 29.25 7msf n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 7msf s ARG 83 N -1.00 0.24 -0.07 -0.99 0.52 -1.09 -0.85 118.95 115.72 7msf s ARG 83 Ca 0.22 -0.30 0.03 0.00 -0.52 0.00 0.00 55.73 55.16 7msf s ARG 83 Cb 0.12 0.09 -0.02 0.00 0.52 0.00 0.00 34.95 35.66 7msf s ARG 83 CO 0.17 -0.04 -0.14 -1.12 0.02 0.00 0.00 175.30 174.18 7msf s SER 84 N -0.85 4.04 -0.09 0.23 0.01 -0.20 -4.90 113.70 111.94 7msf s SER 84 Ca -0.09 -0.22 0.04 0.00 1.31 0.00 0.00 55.95 56.99 7msf s SER 84 Cb -0.06 -1.02 -0.01 0.00 0.21 0.00 0.00 66.02 65.15 7msf s SER 84 CO -0.00 0.31 -0.23 -0.31 0.41 0.00 0.00 173.24 173.42 7msf s TYR 85 N -0.50 2.56 -0.15 2.43 1.51 -1.26 -1.32 117.35 120.61 7msf s TYR 85 Ca 0.07 -0.90 0.01 0.00 -1.01 0.00 0.00 57.07 55.24 7msf s TYR 85 Cb -0.12 -1.69 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 7msf s TYR 85 CO 0.02 -0.33 -0.17 -1.17 -1.11 0.00 0.00 175.55 172.78 7msf s LEU 86 N 0.18 2.36 -0.20 -1.29 2.96 0.28 -4.99 118.68 117.98 7msf s LEU 86 Ca -0.13 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.27 7msf s LEU 86 Cb -0.16 -1.53 0.03 0.00 0.50 0.00 0.00 46.19 45.03 7msf s LEU 86 CO 0.07 0.08 -0.16 0.21 -1.32 0.00 0.00 176.35 175.22 7msf s ASN 87 N 0.85 3.41 -0.08 3.68 3.84 -1.26 -0.73 114.94 124.65 7msf s ASN 87 Ca -0.05 -0.82 0.03 0.00 0.21 0.00 0.00 52.86 52.22 7msf s ASN 87 Cb -0.15 -1.44 -0.02 0.00 -0.55 0.00 0.00 41.25 39.09 7msf s ASN 87 CO -0.01 -0.06 -0.15 -0.04 -2.79 0.00 0.00 177.10 174.04 7msf s MET 88 N 1.28 2.83 -0.18 0.43 -1.94 0.14 -5.01 119.30 116.85 7msf s MET 88 Ca 0.01 -0.72 -0.01 0.00 -1.71 0.00 0.00 55.69 53.26 7msf s MET 88 Cb -0.15 -2.44 0.05 0.00 2.01 0.00 0.00 34.83 34.30 7msf s MET 88 CO -0.11 0.44 -0.02 -1.21 -0.01 0.00 0.00 175.02 174.12 7msf s GLU 89 N -0.27 1.11 -0.26 2.03 2.02 -1.26 -0.80 118.70 121.27 7msf s GLU 89 Ca 0.01 -0.53 -0.06 0.00 0.02 0.00 0.00 54.97 54.41 7msf s GLU 89 Cb -0.13 -2.09 -0.01 0.00 0.10 0.00 0.00 34.13 32.00 7msf s GLU 89 CO 0.03 -0.54 0.04 -1.17 0.02 0.00 0.00 175.26 173.64 7msf s LEU 90 N 1.70 3.43 -0.22 1.80 2.96 0.08 -4.96 118.68 123.46 7msf s LEU 90 Ca -0.01 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.38 7msf s LEU 90 Cb -0.16 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 7msf s LEU 90 CO -0.07 -0.09 0.09 -0.89 -1.32 0.00 0.00 176.35 174.07 7msf s THR 91 N 1.54 4.69 -0.12 3.68 2.01 -1.26 -0.08 115.64 126.09 7msf s THR 91 Ca 0.05 -0.05 -0.00 0.00 0.31 0.00 0.00 61.69 61.99 7msf s THR 91 Cb -0.16 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.21 7msf s THR 91 CO 0.01 0.38 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.60 7msf s ILE 92 N 1.07 1.19 0.42 1.82 1.01 0.44 -4.96 121.20 122.17 7msf s ILE 92 Ca 0.05 -0.39 -0.26 0.00 0.00 0.00 0.00 60.65 60.05 7msf s ILE 92 Cb -0.14 -1.17 -0.10 0.00 0.01 0.00 0.00 42.46 41.06 7msf s ILE 92 CO 0.03 0.39 1.35 -2.65 0.00 0.00 0.00 174.94 174.07 7msf n PRO 93 N 4.89 2.16 0.00 2.79 -0.02 -1.26 -1.11 135.00 142.45 7msf n PRO 93 Ca -0.14 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 7msf n PRO 93 Cb 0.50 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 7msf n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 7msf n ILE 94 N -0.05 1.42 0.42 4.25 -5.35 0.20 -1.45 119.36 118.80 7msf n ILE 94 Ca 0.05 0.37 0.12 0.00 -0.27 0.00 0.00 62.75 63.03 7msf n ILE 94 Cb 0.40 -1.37 0.14 0.00 -1.74 0.00 0.00 39.64 37.07 7msf n ILE 94 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 7msf h PHE 95 N 0.00 0.00 -2.38 4.28 0.04 -1.88 -3.46 116.94 113.53 7msf h PHE 95 Ca 0.00 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.23 7msf h PHE 95 Cb 0.04 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.22 7msf h PHE 95 CO 0.00 0.00 1.16 0.00 -0.60 0.00 0.00 178.31 178.87 7msf n ALA 96 N -1.94 1.77 -1.96 2.45 0.00 -0.53 -4.98 120.51 115.32 7msf n ALA 96 Ca 0.03 0.27 -0.27 0.00 0.00 0.00 0.00 53.44 53.46 7msf n ALA 96 Cb 0.48 -2.62 0.16 0.00 0.00 0.00 0.00 19.45 17.47 7msf n ALA 96 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 7msf s THR 97 N 3.59 2.03 0.19 0.00 -4.23 -1.26 -4.85 115.64 111.12 7msf s THR 97 Ca 0.86 -0.25 -0.12 0.00 -1.18 0.00 0.00 61.69 61.00 7msf s THR 97 Cb -0.49 -2.78 0.12 0.00 1.34 0.00 0.00 72.50 70.70 7msf s THR 97 CO 0.41 0.00 1.85 0.78 -0.54 0.00 0.00 174.62 177.12 7msf h ASN 98 N -1.24 0.78 -0.21 3.99 2.35 -1.99 -1.43 115.58 117.84 7msf h ASN 98 Ca -0.40 -0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.35 7msf h ASN 98 Cb 1.24 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.38 7msf h ASN 98 CO 0.36 0.59 -0.04 0.28 -1.65 0.00 0.00 177.43 176.97 7msf h SER 99 N 0.91 -0.16 -0.40 5.81 0.02 -2.00 -0.04 113.55 117.69 7msf h SER 99 Ca 0.24 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.32 7msf h SER 99 Cb -0.07 0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 7msf h SER 99 CO -0.05 -0.05 0.02 0.44 -1.14 0.00 0.00 176.83 176.04 7msf h ASP 100 N 0.02 -0.13 -0.04 3.07 3.32 -1.80 -1.41 116.42 119.45 7msf h ASP 100 Ca 0.10 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 7msf h ASP 100 Cb 0.14 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 7msf h ASP 100 CO -0.20 -0.03 -0.03 0.00 -1.72 0.00 0.00 179.24 177.25 7msf h GLU 102 N 0.20 0.96 -0.27 0.00 5.08 0.04 -1.34 114.58 119.24 7msf h GLU 102 Ca 0.05 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 7msf h GLU 102 Cb 0.19 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 7msf h GLU 102 CO 0.01 0.89 0.17 1.25 -1.00 0.00 0.00 179.01 180.33 7msf h LEU 103 N 0.87 0.32 -0.59 1.33 5.85 -0.64 -0.79 115.31 121.65 7msf h LEU 103 Ca 0.18 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.94 7msf h LEU 103 Cb 0.37 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 7msf h LEU 103 CO 0.01 0.25 0.29 0.40 -0.34 0.00 0.00 178.44 179.05 7msf h ILE 104 N 0.36 0.92 -0.41 4.05 2.04 -1.00 -0.12 117.51 123.34 7msf h ILE 104 Ca 0.10 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.78 7msf h ILE 104 Cb -0.02 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 7msf h ILE 104 CO -0.02 0.10 0.27 0.58 0.00 0.00 0.00 178.15 179.08 7msf h VAL 105 N 0.54 1.11 -0.29 1.67 2.07 -0.80 -1.86 116.25 118.69 7msf h VAL 105 Ca 0.27 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.65 7msf h VAL 105 Cb 0.21 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 7msf h VAL 105 CO -0.20 0.10 0.00 0.11 0.02 0.00 0.00 177.57 177.61 7msf h LYS 106 N 0.56 0.09 -0.89 1.57 1.57 -0.23 -0.45 116.57 118.79 7msf h LYS 106 Ca 0.15 -0.01 0.15 0.00 -1.87 0.00 0.00 60.65 59.08 7msf h LYS 106 Cb -0.06 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.13 7msf h LYS 106 CO -0.03 0.06 0.49 0.00 -0.57 0.00 0.00 179.45 179.40 7msf h ALA 107 N 1.25 1.38 -0.60 3.86 0.00 -0.59 0.26 119.26 124.81 7msf h ALA 107 Ca 0.14 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 7msf h ALA 107 Cb 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 7msf h ALA 107 CO -0.23 -0.05 -0.02 0.52 0.00 0.00 0.00 179.25 179.47 7msf h MET 108 N 0.69 1.08 -0.56 0.00 2.86 -0.39 -0.79 114.93 117.82 7msf h MET 108 Ca 0.49 -0.35 -0.11 0.00 -2.06 0.00 0.00 59.70 57.66 7msf h MET 108 Cb 0.68 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 7msf h MET 108 CO -0.36 1.06 -0.09 1.96 1.06 0.00 0.00 176.91 180.54 7msf h GLN 109 N 0.98 1.05 -0.61 1.72 4.20 0.47 -3.00 115.11 119.91 7msf h GLN 109 Ca 0.17 -0.38 -0.08 0.00 0.06 0.00 0.00 58.65 58.41 7msf h GLN 109 Cb 0.59 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 7msf h GLN 109 CO 0.04 1.08 0.06 0.78 -0.67 0.00 0.00 178.83 180.11 7msf h GLY 110 N 0.93 1.13 0.70 3.46 0.00 -0.37 -1.24 103.07 107.69 7msf h GLY 110 Ca 0.15 -0.79 0.11 0.00 0.00 0.00 0.00 47.33 46.80 7msf h GLY 110 CO 0.05 0.73 0.56 -2.00 0.00 0.00 0.00 176.54 175.87 7msf h LEU 111 N 0.95 0.71 -2.77 3.11 5.85 -1.02 -2.66 115.31 119.48 7msf h LEU 111 Ca 0.18 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.93 7msf h LEU 111 Cb 0.49 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.40 7msf h LEU 111 CO 0.02 0.40 0.00 0.18 -0.34 0.00 0.00 178.44 178.70 7msf n LEU 112 N -4.53 3.41 -4.76 2.25 4.77 -1.03 -4.42 117.00 112.70 7msf n LEU 112 Ca 0.15 -1.96 -0.39 0.00 -0.03 0.00 0.00 56.01 53.79 7msf n LEU 112 Cb 0.36 -0.35 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 7msf n LEU 112 CO 0.31 0.84 1.01 -0.75 -1.33 0.00 0.00 177.39 177.48 7msf s LYS 113 N -1.02 3.34 0.29 3.23 2.20 -0.50 -4.81 119.74 122.46 7msf s LYS 113 Ca 0.36 2.29 -0.30 0.00 -0.36 0.00 0.00 55.97 57.96 7msf s LYS 113 Cb 0.19 -2.40 -0.13 0.00 -1.51 0.00 0.00 37.83 33.98 7msf s LYS 113 CO 0.25 -1.05 1.37 -0.25 -0.36 0.00 0.00 175.35 175.31 7msf n ASP 114 N -0.73 2.85 0.00 1.43 9.92 -1.26 -2.05 116.55 126.71 7msf n ASP 114 Ca 0.08 1.17 0.00 0.00 -0.53 0.00 0.00 54.79 55.51 7msf n ASP 114 Cb 0.44 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.45 7msf n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 7msf n GLY 115 N 1.59 2.64 3.85 0.44 0.00 -1.26 -5.05 105.19 107.39 7msf n GLY 115 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 7msf n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 7msf s ASN 116 N -1.45 6.53 0.06 1.61 0.01 -0.87 -4.88 114.94 115.94 7msf s ASN 116 Ca 0.00 1.53 -0.12 0.00 -0.71 0.00 0.00 52.86 53.55 7msf s ASN 116 Cb 0.00 -2.50 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 7msf s ASN 116 CO 0.00 -0.65 1.21 -0.65 -1.51 0.00 0.00 177.10 175.50 7msf h PRO 117 N 0.62 -0.04 -0.02 -0.60 0.11 -1.89 -1.69 132.00 128.49 7msf h PRO 117 Ca -0.46 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.67 7msf h PRO 117 Cb 1.19 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 7msf h PRO 117 CO 0.62 -0.03 -0.51 0.82 -0.21 0.00 0.00 178.00 178.69 7msf h ILE 118 N -0.04 0.00 -0.83 4.15 1.08 -1.95 0.25 117.51 120.17 7msf h ILE 118 Ca 0.05 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.57 7msf h ILE 118 Cb 0.18 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.88 7msf h ILE 118 CO -0.33 0.00 0.55 1.55 -0.69 0.00 0.00 178.15 179.23 7msf h PRO 119 N -0.63 0.94 -0.28 2.37 0.13 -1.76 -1.58 132.00 131.20 7msf h PRO 119 Ca 0.01 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 7msf h PRO 119 Cb 0.68 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 7msf h PRO 119 CO -0.35 0.62 0.17 0.77 -0.23 0.00 0.00 178.00 178.98 7msf h SER 120 N 0.97 0.34 0.30 1.44 0.02 -0.46 -0.14 113.55 116.03 7msf h SER 120 Ca 0.35 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 7msf h SER 120 Cb 0.13 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 7msf h SER 120 CO -0.11 0.29 -0.22 0.00 -1.14 0.00 0.00 176.83 175.65 7msf h ALA 121 N 1.06 -0.50 -0.05 3.77 0.00 0.06 -2.37 119.26 121.23 7msf h ALA 121 Ca 0.10 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.95 7msf h ALA 121 Cb 0.02 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 7msf h ALA 121 CO -0.02 -0.80 -0.20 0.82 0.00 0.00 0.00 179.25 179.05 7msf h ILE 122 N -0.52 0.52 -0.04 0.00 2.04 -1.15 -1.02 117.51 117.34 7msf h ILE 122 Ca -0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.85 7msf h ILE 122 Cb 0.45 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 7msf h ILE 122 CO 0.01 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.28 7msf h ALA 123 N 0.65 1.33 -0.47 1.87 0.00 -0.94 -1.59 119.26 120.10 7msf h ALA 123 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 7msf h ALA 123 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 7msf h ALA 123 CO -0.22 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 178.89 7msf n ALA 124 N -2.12 2.81 -2.39 0.00 0.00 -0.50 -4.94 120.51 113.36 7msf n ALA 124 Ca -0.02 -1.64 -0.18 0.00 0.00 0.00 0.00 53.44 51.60 7msf n ALA 124 Cb 0.20 -0.78 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 7msf n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 7msf n ASN 125 N 0.57 -5.25 -4.49 0.00 3.02 -0.60 -4.95 115.26 103.57 7msf n ASN 125 Ca 0.21 0.06 -0.28 0.00 -0.03 0.00 0.00 54.58 54.54 7msf n ASN 125 Cb 0.76 -4.40 -0.09 0.00 -0.61 0.00 0.00 39.78 35.44 7msf n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 7msf s SER 126 N -2.06 3.41 0.00 6.41 0.01 -0.57 -5.05 113.70 115.86 7msf s SER 126 Ca 0.00 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 55.68 7msf s SER 126 Cb 0.00 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.54 7msf s SER 126 CO 0.00 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.47 7msf n GLY 127 N -1.03 3.81 3.88 3.44 0.00 -1.26 -4.18 105.19 109.85 7msf n GLY 127 Ca -0.11 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.65 7msf n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 7msf s ILE 128 N 2.20 5.30 0.00 -0.61 -1.09 -1.26 -4.79 121.20 120.95 7msf s ILE 128 Ca 0.00 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 7msf s ILE 128 Cb 0.00 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 7msf s ILE 128 CO 0.00 0.36 0.00 0.00 -1.23 0.00 0.00 174.94 174.07