#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5msf n SER 2 N 0.00 0.00 -0.04 0.00 2.88 -1.26 -5.07 113.62 110.13 5msf n SER 2 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 5msf n SER 2 Cb 0.00 0.00 0.49 0.00 -0.75 0.00 0.00 64.21 63.95 5msf n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 5msf n ASN 3 N 0.00 0.33 -3.93 -3.46 2.04 -1.26 -4.63 115.26 104.35 5msf n ASN 3 Ca 0.00 -0.10 -0.41 0.00 -0.44 0.00 0.00 54.58 53.63 5msf n ASN 3 Cb 0.00 -0.11 -0.02 0.00 -2.53 0.00 0.00 39.78 37.11 5msf n ASN 3 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 5msf n PHE 4 N -1.32 3.12 -4.40 -2.53 7.35 -1.26 -4.85 117.46 113.58 5msf n PHE 4 Ca 0.09 -2.43 -0.20 0.00 -0.76 0.00 0.00 57.45 54.15 5msf n PHE 4 Cb 0.32 -2.32 -0.10 0.00 0.35 0.00 0.00 39.48 37.73 5msf n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 5msf s THR 5 N 4.77 1.23 0.62 -2.13 -4.23 -1.26 -4.88 115.64 109.76 5msf s THR 5 Ca 0.54 -2.04 -0.15 0.00 -1.18 0.00 0.00 61.69 58.86 5msf s THR 5 Cb 0.11 -2.54 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 5msf s THR 5 CO 0.03 -0.20 1.06 0.00 -0.54 0.00 0.00 174.62 174.97 5msf s GLN 6 N -3.84 3.22 0.22 3.99 -2.07 -1.26 -4.69 119.66 115.22 5msf s GLN 6 Ca 0.32 1.17 -0.15 0.00 -1.82 0.00 0.00 55.36 54.87 5msf s GLN 6 Cb 0.06 -2.02 0.01 0.00 -1.09 0.00 0.00 33.01 29.97 5msf s GLN 6 CO 0.12 -0.89 0.50 -0.59 -1.32 0.00 0.00 175.29 173.11 5msf s PHE 7 N -2.56 0.09 -0.38 9.60 -0.71 -0.90 -5.02 117.98 118.10 5msf s PHE 7 Ca 0.63 -0.45 -0.23 0.00 -1.04 0.00 0.00 56.93 55.83 5msf s PHE 7 Cb -0.16 0.31 0.01 0.00 -1.21 0.00 0.00 43.02 41.97 5msf s PHE 7 CO 0.40 -0.95 0.79 0.08 -1.34 0.00 0.00 175.22 174.20 5msf s VAL 8 N -3.94 4.71 -0.10 -2.49 1.01 -1.26 -1.77 120.40 116.56 5msf s VAL 8 Ca 0.15 0.80 -0.22 0.00 0.00 0.00 0.00 61.98 62.70 5msf s VAL 8 Cb -0.01 -4.24 -0.28 0.00 0.00 0.00 0.00 36.38 31.86 5msf s VAL 8 CO 0.02 -0.50 0.72 0.25 0.00 0.00 0.00 175.10 175.59 5msf h LEU 9 N 9.83 0.28 -7.99 3.92 5.85 -1.32 -3.43 115.31 122.45 5msf h LEU 9 Ca -0.25 -0.90 -0.67 0.00 0.84 0.00 0.00 57.88 56.90 5msf h LEU 9 Cb 1.09 -0.09 -0.35 0.00 0.37 0.00 0.00 40.66 41.68 5msf h LEU 9 CO 0.92 1.36 -0.77 -0.69 -0.34 0.00 0.00 178.44 178.92 5msf s VAL 10 N -2.38 2.54 -0.48 1.05 1.01 -1.02 -5.00 120.40 116.13 5msf s VAL 10 Ca -0.18 -1.37 -0.19 0.00 0.00 0.00 0.00 61.98 60.24 5msf s VAL 10 Cb 0.01 -2.40 0.05 0.00 0.00 0.00 0.00 36.38 34.04 5msf s VAL 10 CO 0.76 0.05 0.58 -0.62 0.00 0.00 0.00 175.10 175.87 5msf s ASP 11 N 1.21 6.23 -0.32 3.32 2.15 -1.26 -1.11 116.67 126.88 5msf s ASP 11 Ca -0.05 -0.81 0.09 0.00 0.43 0.00 0.00 52.55 52.21 5msf s ASP 11 Cb -0.19 -2.28 0.59 0.00 -0.30 0.00 0.00 42.92 40.75 5msf s ASP 11 CO -0.05 -0.80 1.62 0.59 -0.17 0.00 0.00 175.17 176.37 5msf n ASN 12 N 6.02 3.38 -2.36 -0.34 3.02 -1.26 -4.96 115.26 118.76 5msf n ASN 12 Ca -0.06 -3.53 -0.01 0.00 -0.03 0.00 0.00 54.58 50.95 5msf n ASN 12 Cb 0.46 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 5msf n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 5msf n GLY 13 N -0.88 -0.76 5.00 7.41 0.00 -1.26 -4.22 105.19 110.48 5msf n GLY 13 Ca 0.39 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.58 5msf n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5msf n GLY 14 N -1.41 0.75 3.51 -0.02 0.00 -1.26 -4.81 105.19 101.94 5msf n GLY 14 Ca -0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 5msf n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 5msf s THR 15 N 0.00 5.17 0.00 2.61 2.01 -1.26 -4.07 115.64 120.10 5msf s THR 15 Ca 0.00 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.75 5msf s THR 15 Cb 0.00 -3.91 0.00 0.00 0.01 0.00 0.00 72.50 68.60 5msf s THR 15 CO 0.00 -0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.30 5msf n GLY 16 N 5.06 1.21 3.79 4.40 0.00 -1.26 -4.79 105.19 113.60 5msf n GLY 16 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 5msf n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 5msf s ASP 17 N -2.00 6.80 -0.22 1.61 1.01 -1.26 -4.47 116.67 118.14 5msf s ASP 17 Ca 0.00 1.97 -0.05 0.00 0.71 0.00 0.00 52.55 55.18 5msf s ASP 17 Cb 0.00 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 5msf s ASP 17 CO 0.00 -0.46 -0.00 -0.69 0.21 0.00 0.00 175.17 174.23 5msf s VAL 18 N -1.74 3.77 -0.08 -1.27 1.01 -0.27 -4.99 120.40 116.83 5msf s VAL 18 Ca 0.58 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.22 5msf s VAL 18 Cb -0.20 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 5msf s VAL 18 CO 0.25 0.41 -0.12 -0.89 0.00 0.00 0.00 175.10 174.74 5msf s THR 19 N 1.33 3.21 -0.03 3.92 2.01 -1.26 -0.79 115.64 124.03 5msf s THR 19 Ca 0.04 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.44 5msf s THR 19 Cb -0.15 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 5msf s THR 19 CO 0.00 0.57 -0.16 0.68 -0.69 0.00 0.00 174.62 175.02 5msf s VAL 20 N -0.36 2.94 0.14 3.82 -7.23 -0.73 -4.27 120.40 114.71 5msf s VAL 20 Ca 0.04 -0.82 0.07 0.00 -1.81 0.00 0.00 61.98 59.46 5msf s VAL 20 Cb -0.12 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 5msf s VAL 20 CO 0.02 0.55 -0.15 0.00 -0.31 0.00 0.00 175.10 175.22 5msf s ALA 21 N -0.75 1.70 0.02 1.32 0.00 -0.65 -2.11 121.76 121.28 5msf s ALA 21 Ca 0.12 -1.40 -0.37 0.00 0.00 0.00 0.00 51.96 50.31 5msf s ALA 21 Cb -0.11 -0.10 -0.16 0.00 0.00 0.00 0.00 23.12 22.75 5msf s ALA 21 CO 0.01 0.13 1.44 -2.30 0.00 0.00 0.00 175.76 175.04 5msf n PRO 22 N 0.33 1.23 0.00 0.00 -0.02 -1.26 -1.43 135.00 133.84 5msf n PRO 22 Ca -0.14 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 5msf n PRO 22 Cb 0.58 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 5msf n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 5msf n SER 23 N 3.19 0.16 -3.60 2.55 3.41 1.00 -4.86 113.62 115.46 5msf n SER 23 Ca 0.20 -0.16 -0.08 0.00 -0.26 0.00 0.00 58.87 58.56 5msf n SER 23 Cb 0.19 0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 64.44 5msf n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 5msf s ASN 24 N -0.39 -0.31 0.00 4.04 3.84 -1.16 -4.99 114.94 115.98 5msf s ASN 24 Ca 0.00 0.42 0.10 0.00 0.21 0.00 0.00 52.86 53.59 5msf s ASN 24 Cb 0.00 0.36 0.17 0.00 -0.55 0.00 0.00 41.25 41.23 5msf s ASN 24 CO 0.00 -0.24 1.06 0.33 -2.79 0.00 0.00 177.10 175.47 5msf n PHE 25 N 1.04 0.00 -2.04 0.43 7.35 -1.26 -0.87 117.46 122.12 5msf n PHE 25 Ca -0.09 -0.20 -0.42 0.00 -0.76 0.00 0.00 57.45 55.97 5msf n PHE 25 Cb 0.58 -0.08 -0.03 0.00 0.35 0.00 0.00 39.48 40.29 5msf n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 5msf s ALA 26 N 0.00 3.63 -0.63 3.13 0.00 -1.25 -2.74 121.76 123.90 5msf s ALA 26 Ca 0.14 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.09 5msf s ALA 26 Cb 0.16 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.58 5msf s ALA 26 CO -0.07 -1.20 0.00 0.09 0.00 0.00 0.00 175.76 174.58 5msf n ASN 27 N 6.30 -2.97 0.00 0.00 3.02 -1.26 -3.08 115.26 117.27 5msf n ASN 27 Ca 0.16 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 5msf n ASN 27 Cb 0.42 -1.96 0.00 0.00 -0.61 0.00 0.00 39.78 37.63 5msf n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 5msf n GLY 28 N -1.33 0.95 3.53 7.41 0.00 -1.11 -4.95 105.19 109.69 5msf n GLY 28 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 5msf n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5msf s VAL 29 N -2.89 4.69 0.23 1.61 1.01 -1.18 -4.74 120.40 119.12 5msf s VAL 29 Ca 0.00 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 5msf s VAL 29 Cb 0.00 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 5msf s VAL 29 CO 0.00 -0.73 1.01 0.00 0.00 0.00 0.00 175.10 175.38 5msf s ALA 30 N 3.19 3.35 -0.01 5.51 0.00 -0.68 -3.87 121.76 129.25 5msf s ALA 30 Ca 0.27 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.97 5msf s ALA 30 Cb -0.13 -3.27 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 5msf s ALA 30 CO 0.21 0.02 -0.05 -2.00 0.00 0.00 0.00 175.76 173.94 5msf s GLU 31 N -1.02 0.47 0.07 0.00 2.12 -0.05 -1.41 118.70 118.87 5msf s GLU 31 Ca 0.44 -0.17 0.07 0.00 0.36 0.00 0.00 54.97 55.66 5msf s GLU 31 Cb -0.28 -0.47 -0.03 0.00 0.26 0.00 0.00 34.13 33.62 5msf s GLU 31 CO 0.35 0.09 -0.18 -1.58 -0.54 0.00 0.00 175.26 173.39 5msf s TRP 32 N 0.02 1.57 0.05 5.30 0.51 0.43 -0.00 118.94 126.83 5msf s TRP 32 Ca 0.00 -0.40 -0.12 0.00 -2.12 0.00 0.00 56.10 53.46 5msf s TRP 32 Cb -0.04 -0.90 0.01 0.00 -0.81 0.00 0.00 33.47 31.74 5msf s TRP 32 CO -0.00 0.12 0.27 0.96 -0.51 0.00 0.00 176.95 177.78 5msf s ILE 33 N -1.03 0.09 0.77 2.03 -4.36 -0.52 -1.16 121.20 117.03 5msf s ILE 33 Ca 0.04 -0.78 -0.10 0.00 -0.26 0.00 0.00 60.65 59.55 5msf s ILE 33 Cb -0.09 -0.98 0.07 0.00 1.25 0.00 0.00 42.46 42.71 5msf s ILE 33 CO 0.03 -0.43 1.13 -0.94 0.24 0.00 0.00 174.94 174.96 5msf s SER 34 N -2.18 4.64 -1.33 4.36 1.04 -0.68 -1.64 113.70 117.92 5msf s SER 34 Ca -0.04 0.70 -0.17 0.00 0.48 0.00 0.00 55.95 56.93 5msf s SER 34 Cb -0.00 -1.26 0.07 0.00 0.10 0.00 0.00 66.02 64.93 5msf s SER 34 CO -0.05 -1.79 1.82 -0.24 0.98 0.00 0.00 173.24 173.97 5msf n SER 35 N -3.18 4.75 -3.49 7.02 2.88 -1.26 -4.75 113.62 115.58 5msf n SER 35 Ca 0.08 -2.91 -0.13 0.00 -1.33 0.00 0.00 58.87 54.57 5msf n SER 35 Cb 0.61 -1.72 -0.05 0.00 -0.75 0.00 0.00 64.21 62.30 5msf n SER 35 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 5msf s ASN 36 N 3.88 0.65 0.56 -3.46 0.01 -1.26 -5.07 114.94 110.24 5msf s ASN 36 Ca 0.52 -1.37 -0.19 0.00 -0.71 0.00 0.00 52.86 51.11 5msf s ASN 36 Cb 0.06 0.62 -0.05 0.00 0.41 0.00 0.00 41.25 42.29 5msf s ASN 36 CO 0.04 -1.22 1.17 -0.94 -1.51 0.00 0.00 177.10 174.64 5msf s SER 37 N -3.19 5.51 0.64 -1.22 1.04 -1.26 -4.74 113.70 110.48 5msf s SER 37 Ca 0.30 2.30 0.35 0.00 0.48 0.00 0.00 55.95 59.38 5msf s SER 37 Cb 0.00 -2.59 1.97 0.00 0.10 0.00 0.00 66.02 65.50 5msf s SER 37 CO 0.17 -1.37 2.18 0.03 0.98 0.00 0.00 173.24 175.23 5msf h ARG 38 N 1.14 0.00 0.00 4.02 3.08 -1.97 -0.44 114.38 120.21 5msf h ARG 38 Ca -0.50 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.51 5msf h ARG 38 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 5msf h ARG 38 CO 0.56 0.00 -0.17 0.66 -1.07 0.00 0.00 179.97 179.95 5msf h SER 39 N 0.00 0.00 -0.10 7.04 4.64 -1.98 -3.29 113.55 119.86 5msf h SER 39 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 5msf h SER 39 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 5msf h SER 39 CO -0.00 0.17 0.00 0.00 -0.87 0.00 0.00 176.83 176.13 5msf n GLN 40 N -3.16 1.99 -1.94 4.77 6.02 -0.28 -5.00 117.38 119.79 5msf n GLN 40 Ca 0.03 -1.45 -0.30 0.00 -0.01 0.00 0.00 57.00 55.27 5msf n GLN 40 Cb 0.57 -1.10 0.03 0.00 1.02 0.00 0.00 30.24 30.76 5msf n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 5msf s ALA 41 N -0.82 3.00 -0.22 -1.58 0.00 -0.57 -4.68 121.76 116.88 5msf s ALA 41 Ca 0.08 -0.30 -0.15 0.00 0.00 0.00 0.00 51.96 51.59 5msf s ALA 41 Cb 0.05 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 5msf s ALA 41 CO 0.06 -0.96 0.37 0.71 0.00 0.00 0.00 175.76 175.94 5msf s TYR 42 N -3.27 3.33 0.03 0.00 1.51 -1.26 -4.31 117.35 113.39 5msf s TYR 42 Ca 0.57 0.53 0.08 0.00 -1.01 0.00 0.00 57.07 57.24 5msf s TYR 42 Cb -0.11 -2.52 -0.03 0.00 -0.11 0.00 0.00 41.96 39.20 5msf s TYR 42 CO 0.52 -0.07 -0.24 0.21 -1.11 0.00 0.00 175.55 174.86 5msf s LYS 43 N 1.51 1.68 -0.03 -0.62 2.20 -0.81 -1.69 119.74 121.99 5msf s LYS 43 Ca 0.17 -1.01 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 5msf s LYS 43 Cb -0.15 -1.80 0.03 0.00 -1.51 0.00 0.00 37.83 34.40 5msf s LYS 43 CO 0.08 0.47 0.01 0.08 -0.36 0.00 0.00 175.35 175.63 5msf s VAL 44 N -0.76 0.12 0.07 4.02 1.01 -0.31 -0.90 120.40 123.66 5msf s VAL 44 Ca 0.10 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.24 5msf s VAL 44 Cb -0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 5msf s VAL 44 CO 0.01 0.13 -0.13 0.42 0.00 0.00 0.00 175.10 175.53 5msf s THR 45 N 1.00 1.06 -0.14 3.92 -4.23 -0.42 -0.43 115.64 116.40 5msf s THR 45 Ca -0.10 -1.34 -0.14 0.00 -1.18 0.00 0.00 61.69 58.93 5msf s THR 45 Cb -0.13 -1.08 0.04 0.00 1.34 0.00 0.00 72.50 72.67 5msf s THR 45 CO -0.02 -0.28 0.40 0.00 -0.54 0.00 0.00 174.62 174.18 5msf s SER 47 N 0.07 -0.35 0.00 0.00 1.04 -0.80 -1.69 113.70 111.97 5msf s SER 47 Ca -0.01 0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.54 5msf s SER 47 Cb -0.03 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 5msf s SER 47 CO 0.01 -0.67 -0.06 0.54 0.98 0.00 0.00 173.24 174.04 5msf s VAL 48 N -2.33 0.49 0.16 5.02 0.11 -1.26 -0.39 120.40 122.19 5msf s VAL 48 Ca -0.06 -0.35 -0.11 0.00 -2.93 0.00 0.00 61.98 58.54 5msf s VAL 48 Cb -0.01 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.41 5msf s VAL 48 CO -0.01 0.08 0.31 0.00 -3.33 0.00 0.00 175.10 172.16 5msf s ARG 49 N -0.29 1.14 -0.63 1.54 1.70 -0.69 -4.99 118.95 116.73 5msf s ARG 49 Ca 0.01 -1.07 -0.21 0.00 -0.47 0.00 0.00 55.73 53.99 5msf s ARG 49 Cb -0.03 0.40 0.08 0.00 -0.57 0.00 0.00 34.95 34.83 5msf s ARG 49 CO -0.00 -0.42 0.88 -1.14 -1.08 0.00 0.00 175.30 173.53 5msf s GLN 50 N -3.93 3.09 0.24 3.89 0.74 -1.26 0.26 119.66 122.69 5msf s GLN 50 Ca 0.13 -0.99 -0.02 0.00 0.05 0.00 0.00 55.36 54.53 5msf s GLN 50 Cb 0.03 -4.24 0.26 0.00 1.10 0.00 0.00 33.01 30.16 5msf s GLN 50 CO -0.03 -1.72 1.66 0.66 -0.55 0.00 0.00 175.29 175.31 5msf h SER 51 N 9.44 0.69 -2.74 6.67 4.64 -1.80 -3.47 113.55 126.98 5msf h SER 51 Ca -0.29 -0.24 -0.14 0.00 -0.47 0.00 0.00 61.79 60.65 5msf h SER 51 Cb 1.08 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.94 5msf h SER 51 CO 1.15 0.90 -0.10 -1.54 -0.87 0.00 0.00 176.83 176.38 5msf n SER 52 N -4.12 -0.49 0.03 4.97 3.41 -1.17 -5.00 113.62 111.24 5msf n SER 52 Ca 0.00 -1.82 -0.04 0.00 -0.26 0.00 0.00 58.87 56.76 5msf n SER 52 Cb 0.42 0.96 0.19 0.00 -0.26 0.00 0.00 64.21 65.52 5msf n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 5msf h ALA 53 N 1.62 1.06 0.00 7.33 0.00 -2.04 -3.23 119.26 124.00 5msf h ALA 53 Ca -0.11 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.43 5msf h ALA 53 Cb 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.17 5msf h ALA 53 CO 0.15 0.58 -1.25 1.04 0.00 0.00 0.00 179.25 179.76 5msf n GLN 54 N -4.09 0.18 -4.40 0.00 1.13 -1.26 -4.89 117.38 104.05 5msf n GLN 54 Ca -0.01 -0.05 -0.25 0.00 -1.94 0.00 0.00 57.00 54.75 5msf n GLN 54 Cb 0.44 -1.51 -0.11 0.00 0.11 0.00 0.00 30.24 29.16 5msf n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 5msf s ASN 55 N -3.44 3.20 0.10 1.08 0.01 -1.22 0.14 114.94 114.82 5msf s ASN 55 Ca 0.04 -0.88 0.10 0.00 -0.71 0.00 0.00 52.86 51.41 5msf s ASN 55 Cb 0.15 -0.23 -0.04 0.00 0.41 0.00 0.00 41.25 41.55 5msf s ASN 55 CO 0.87 0.06 -0.25 -0.13 -1.51 0.00 0.00 177.10 176.15 5msf s ARG 56 N -2.77 1.60 -0.05 -0.60 0.52 -0.42 -2.53 118.95 114.70 5msf s ARG 56 Ca 0.20 -1.24 -0.00 0.00 -0.52 0.00 0.00 55.73 54.16 5msf s ARG 56 Cb -0.07 -1.97 0.03 0.00 0.52 0.00 0.00 34.95 33.46 5msf s ARG 56 CO 0.09 0.48 0.00 0.21 0.02 0.00 0.00 175.30 176.10 5msf s LYS 57 N -1.83 0.42 -0.14 3.54 2.20 0.14 -0.39 119.74 123.68 5msf s LYS 57 Ca 0.14 0.11 -0.13 0.00 -0.36 0.00 0.00 55.97 55.73 5msf s LYS 57 Cb -0.10 -0.70 -0.05 0.00 -1.51 0.00 0.00 37.83 35.47 5msf s LYS 57 CO 0.06 -0.21 0.28 0.71 -0.36 0.00 0.00 175.35 175.82 5msf s TYR 58 N 1.51 3.50 -0.24 4.03 2.02 0.75 -1.71 117.35 127.21 5msf s TYR 58 Ca -0.03 0.61 -0.01 0.00 -0.37 0.00 0.00 57.07 57.28 5msf s TYR 58 Cb -0.13 -2.28 0.03 0.00 -0.40 0.00 0.00 41.96 39.18 5msf s TYR 58 CO -0.03 0.34 -0.08 0.99 -1.57 0.00 0.00 175.55 175.19 5msf s THR 59 N 0.13 2.67 -0.10 -0.71 2.01 0.48 -0.71 115.64 119.41 5msf s THR 59 Ca 0.17 -1.11 0.03 0.00 0.31 0.00 0.00 61.69 61.09 5msf s THR 59 Cb -0.13 -2.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.01 5msf s THR 59 CO 0.04 0.21 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.36 5msf s ILE 60 N 1.29 2.58 0.03 1.82 1.01 0.16 -1.90 121.20 126.19 5msf s ILE 60 Ca -0.01 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 59.85 5msf s ILE 60 Cb -0.17 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 5msf s ILE 60 CO -0.06 0.55 -0.17 -0.54 0.00 0.00 0.00 174.94 174.73 5msf s LYS 61 N 0.12 1.14 -0.00 2.79 1.02 -0.50 0.12 119.74 124.43 5msf s LYS 61 Ca -0.09 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.11 5msf s LYS 61 Cb -0.15 -1.18 0.00 0.00 -0.52 0.00 0.00 37.83 35.98 5msf s LYS 61 CO 0.06 0.30 -0.00 0.08 -0.92 0.00 0.00 175.35 174.86 5msf s VAL 62 N -0.76 0.02 -0.10 3.17 1.01 -0.08 -1.31 120.40 122.36 5msf s VAL 62 Ca 0.04 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.05 5msf s VAL 62 Cb -0.08 -0.03 0.01 0.00 0.00 0.00 0.00 36.38 36.28 5msf s VAL 62 CO 0.01 0.01 -0.19 -1.61 0.00 0.00 0.00 175.10 173.33 5msf s GLU 63 N 0.04 2.54 -0.10 2.72 2.02 -0.08 -0.35 118.70 125.49 5msf s GLU 63 Ca -0.00 -0.69 0.04 0.00 0.02 0.00 0.00 54.97 54.34 5msf s GLU 63 Cb -0.01 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.19 5msf s GLU 63 CO -0.00 0.04 -0.24 0.08 0.02 0.00 0.00 175.26 175.16 5msf s VAL 64 N 0.70 2.04 0.45 2.63 1.01 -0.57 -1.92 120.40 124.76 5msf s VAL 64 Ca -0.12 -1.01 -0.21 0.00 0.00 0.00 0.00 61.98 60.65 5msf s VAL 64 Cb -0.16 -1.77 -0.10 0.00 0.00 0.00 0.00 36.38 34.35 5msf s VAL 64 CO 0.02 0.56 0.99 -2.16 0.00 0.00 0.00 175.10 174.51 5msf s PRO 65 N 0.40 4.06 -0.21 2.72 0.04 -1.26 -1.01 135.00 139.74 5msf s PRO 65 Ca -0.18 1.22 -0.26 0.00 0.04 0.00 0.00 61.00 61.82 5msf s PRO 65 Cb -0.18 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.20 5msf s PRO 65 CO 0.08 -0.19 0.89 0.21 0.04 0.00 0.00 177.00 178.03 5msf s LYS 66 N -3.18 4.25 -0.15 4.56 2.20 -0.41 -4.90 119.74 122.11 5msf s LYS 66 Ca 0.64 1.10 0.07 0.00 -0.36 0.00 0.00 55.97 57.42 5msf s LYS 66 Cb -0.12 -3.61 -0.23 0.00 -1.51 0.00 0.00 37.83 32.35 5msf s LYS 66 CO 0.16 -0.47 0.26 0.28 -0.36 0.00 0.00 175.35 175.22 5msf n VAL 67 N 5.05 1.57 -1.68 4.02 0.31 -1.26 -4.64 118.33 121.71 5msf n VAL 67 Ca 0.07 -0.73 -0.46 0.00 -0.01 0.00 0.00 64.34 63.21 5msf n VAL 67 Cb 0.48 -1.14 -0.04 0.00 -0.91 0.00 0.00 33.84 32.22 5msf n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 5msf n ALA 68 N -2.86 1.28 -1.04 3.52 0.00 -1.26 -1.07 120.51 119.08 5msf n ALA 68 Ca -0.31 0.30 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 5msf n ALA 68 Cb 1.07 -2.52 -0.01 0.00 0.00 0.00 0.00 19.45 17.99 5msf n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 5msf n THR 69 N 4.84 0.00 -2.03 0.00 -2.24 -1.26 -4.99 114.28 108.60 5msf n THR 69 Ca 0.20 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.62 5msf n THR 69 Cb 0.32 -0.64 0.02 0.00 -2.10 0.00 0.00 70.33 67.94 5msf n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 5msf s GLN 70 N -1.32 3.23 -0.38 -0.78 0.74 -0.24 -5.00 119.66 115.92 5msf s GLN 70 Ca 0.00 1.91 -0.02 0.00 0.05 0.00 0.00 55.36 57.30 5msf s GLN 70 Cb 0.00 -2.13 0.10 0.00 1.10 0.00 0.00 33.01 32.07 5msf s GLN 70 CO 0.00 -1.02 0.14 0.99 -0.55 0.00 0.00 175.29 174.85 5msf s THR 71 N -1.51 3.07 -0.00 -0.34 2.01 -1.26 -5.07 115.64 112.53 5msf s THR 71 Ca 0.72 -1.99 -0.35 0.00 0.31 0.00 0.00 61.69 60.38 5msf s THR 71 Cb -0.32 -3.07 -0.14 0.00 0.01 0.00 0.00 72.50 68.98 5msf s THR 71 CO 0.37 -0.58 1.68 0.52 -0.69 0.00 0.00 174.62 175.92 5msf n VAL 72 N 4.54 0.26 -0.96 3.82 0.31 -1.26 -0.94 118.33 124.09 5msf n VAL 72 Ca -0.03 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 5msf n VAL 72 Cb 0.42 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 5msf n VAL 72 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 5msf n GLY 73 N 3.75 0.54 3.97 2.92 0.00 -1.26 -5.02 105.19 110.09 5msf n GLY 73 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 5msf n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 5msf s GLY 74 N -2.00 1.79 -0.48 -0.02 0.00 -0.11 -5.04 107.32 101.45 5msf s GLY 74 Ca 0.00 -1.33 -0.18 0.00 0.00 0.00 0.00 44.72 43.21 5msf s GLY 74 CO 0.00 -0.96 0.56 0.14 0.00 0.00 0.00 173.10 172.84 5msf s VAL 75 N -2.95 4.96 -0.29 1.40 1.01 -1.26 -5.00 120.40 118.27 5msf s VAL 75 Ca 0.60 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 5msf s VAL 75 Cb -0.09 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.08 5msf s VAL 75 CO 0.41 -0.68 0.06 -1.61 0.00 0.00 0.00 175.10 173.28 5msf s GLU 76 N 2.42 3.06 0.08 2.72 2.02 -1.26 -5.09 118.70 122.65 5msf s GLU 76 Ca 0.14 -0.87 0.08 0.00 0.02 0.00 0.00 54.97 54.33 5msf s GLU 76 Cb -0.19 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.69 5msf s GLU 76 CO 0.12 -0.43 -0.21 -0.51 0.02 0.00 0.00 175.26 174.25 5msf s LEU 77 N 1.47 2.26 0.33 1.80 2.01 -1.26 -4.08 118.68 121.22 5msf s LEU 77 Ca 0.02 -0.64 -0.25 0.00 0.01 0.00 0.00 54.13 53.28 5msf s LEU 77 Cb -0.17 -0.89 -0.10 0.00 0.01 0.00 0.00 46.19 45.04 5msf s LEU 77 CO 0.01 0.08 0.92 -2.16 1.01 0.00 0.00 176.35 176.22 5msf s PRO 78 N -1.69 4.50 0.28 1.29 0.04 -1.26 -5.02 135.00 133.14 5msf s PRO 78 Ca 0.06 1.25 0.02 0.00 0.04 0.00 0.00 61.00 62.37 5msf s PRO 78 Cb -0.10 -2.72 0.66 0.00 0.04 0.00 0.00 34.50 32.38 5msf s PRO 78 CO 0.03 0.25 1.71 0.28 0.04 0.00 0.00 177.00 179.31 5msf h VAL 79 N 2.52 0.53 0.00 -0.36 2.07 -2.00 -0.60 116.25 118.41 5msf h VAL 79 Ca -0.47 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.90 5msf h VAL 79 Cb 1.19 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 5msf h VAL 79 CO 0.64 0.08 0.00 0.00 0.02 0.00 0.00 177.57 178.31 5msf n ALA 80 N -2.51 1.13 0.09 1.67 0.00 -1.26 -1.26 120.51 118.37 5msf n ALA 80 Ca 0.20 0.17 0.10 0.00 0.00 0.00 0.00 53.44 53.92 5msf n ALA 80 Cb 0.59 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 5msf n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 5msf n ALA 81 N -1.76 2.47 -0.43 0.00 0.00 -0.23 -4.19 120.51 116.37 5msf n ALA 81 Ca -0.01 -0.29 0.08 0.00 0.00 0.00 0.00 53.44 53.22 5msf n ALA 81 Cb 0.06 -1.06 0.23 0.00 0.00 0.00 0.00 19.45 18.68 5msf n ALA 81 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 5msf n TRP 82 N -2.67 0.81 -3.84 0.00 7.02 -0.39 -4.91 117.44 113.46 5msf n TRP 82 Ca -0.01 -0.59 -0.12 0.00 -1.02 0.00 0.00 57.50 55.76 5msf n TRP 82 Cb 0.59 -0.12 -0.11 0.00 -2.42 0.00 0.00 31.31 29.25 5msf n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 5msf s ARG 83 N -1.48 0.35 -0.04 -0.99 0.52 -1.13 -1.29 118.95 114.89 5msf s ARG 83 Ca 0.35 -0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.52 5msf s ARG 83 Cb 0.22 0.15 -0.03 0.00 0.52 0.00 0.00 34.95 35.81 5msf s ARG 83 CO 0.19 -0.07 -0.12 -1.12 0.02 0.00 0.00 175.30 174.20 5msf s SER 84 N -0.65 4.24 -0.09 0.23 0.01 -0.18 -4.90 113.70 112.36 5msf s SER 84 Ca -0.07 -0.17 0.04 0.00 1.31 0.00 0.00 55.95 57.06 5msf s SER 84 Cb -0.04 -0.93 0.00 0.00 0.21 0.00 0.00 66.02 65.26 5msf s SER 84 CO 0.01 0.33 -0.21 -0.31 0.41 0.00 0.00 173.24 173.47 5msf s TYR 85 N -0.80 2.30 -0.13 2.43 1.51 -1.26 -1.51 117.35 119.88 5msf s TYR 85 Ca 0.13 -0.91 0.00 0.00 -1.01 0.00 0.00 57.07 55.28 5msf s TYR 85 Cb -0.11 -1.55 -0.01 0.00 -0.11 0.00 0.00 41.96 40.18 5msf s TYR 85 CO 0.02 -0.37 -0.15 -1.17 -1.11 0.00 0.00 175.55 172.77 5msf s LEU 86 N 0.38 2.60 -0.16 -1.29 2.96 0.53 -4.99 118.68 118.70 5msf s LEU 86 Ca -0.17 -0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 53.36 5msf s LEU 86 Cb -0.17 -1.58 0.04 0.00 0.50 0.00 0.00 46.19 44.98 5msf s LEU 86 CO 0.07 0.15 -0.07 0.21 -1.32 0.00 0.00 176.35 175.39 5msf s ASN 87 N 0.45 2.84 -0.06 3.68 3.84 -1.26 -0.90 114.94 123.53 5msf s ASN 87 Ca -0.11 -0.65 0.04 0.00 0.21 0.00 0.00 52.86 52.35 5msf s ASN 87 Cb -0.16 -0.98 -0.02 0.00 -0.55 0.00 0.00 41.25 39.54 5msf s ASN 87 CO 0.05 -0.16 -0.16 -0.04 -2.79 0.00 0.00 177.10 173.99 5msf s MET 88 N 1.59 2.60 -0.12 0.43 -1.94 0.12 -5.01 119.30 116.97 5msf s MET 88 Ca 0.01 -0.74 -0.01 0.00 -1.71 0.00 0.00 55.69 53.24 5msf s MET 88 Cb -0.15 -2.36 0.03 0.00 2.01 0.00 0.00 34.83 34.36 5msf s MET 88 CO -0.08 0.53 -0.04 -1.21 -0.01 0.00 0.00 175.02 174.21 5msf s GLU 89 N -0.50 1.22 -0.27 2.03 2.02 -1.26 -0.67 118.70 121.28 5msf s GLU 89 Ca 0.06 -0.25 -0.04 0.00 0.02 0.00 0.00 54.97 54.76 5msf s GLU 89 Cb -0.12 -1.59 0.01 0.00 0.10 0.00 0.00 34.13 32.54 5msf s GLU 89 CO 0.01 -0.34 0.01 -1.17 0.02 0.00 0.00 175.26 173.79 5msf s LEU 90 N 1.76 3.46 -0.24 1.80 2.96 0.11 -4.96 118.68 123.57 5msf s LEU 90 Ca 0.03 -0.74 -0.09 0.00 -0.22 0.00 0.00 54.13 53.12 5msf s LEU 90 Cb -0.13 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 5msf s LEU 90 CO -0.07 -0.14 0.13 -0.89 -1.32 0.00 0.00 176.35 174.05 5msf s THR 91 N 1.42 5.02 -0.17 3.68 2.01 -1.26 -0.18 115.64 126.17 5msf s THR 91 Ca 0.02 0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.08 5msf s THR 91 Cb -0.17 -3.34 0.04 0.00 0.01 0.00 0.00 72.50 69.04 5msf s THR 91 CO -0.01 0.34 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.55 5msf s ILE 92 N 1.23 1.29 0.40 1.82 1.01 0.48 -4.96 121.20 122.47 5msf s ILE 92 Ca 0.06 -0.70 -0.25 0.00 0.00 0.00 0.00 60.65 59.77 5msf s ILE 92 Cb -0.14 -1.40 -0.11 0.00 0.01 0.00 0.00 42.46 40.82 5msf s ILE 92 CO 0.05 0.19 1.04 -2.65 0.00 0.00 0.00 174.94 173.58 5msf n PRO 93 N 4.82 1.43 0.00 2.79 -0.02 -1.26 -1.30 135.00 141.46 5msf n PRO 93 Ca -0.13 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 5msf n PRO 93 Cb 0.48 -2.06 0.02 0.00 -0.02 0.00 0.00 33.50 31.91 5msf n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 5msf n ILE 94 N -0.37 1.47 0.55 4.25 -5.35 0.12 -1.68 119.36 118.35 5msf n ILE 94 Ca 0.09 0.37 0.12 0.00 -0.27 0.00 0.00 62.75 63.06 5msf n ILE 94 Cb 0.38 -1.36 0.22 0.00 -1.74 0.00 0.00 39.64 37.15 5msf n ILE 94 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 5msf h PHE 95 N 0.00 0.00 -2.51 4.28 0.04 -1.88 -3.46 116.94 113.41 5msf h PHE 95 Ca 0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 5msf h PHE 95 Cb 0.01 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.20 5msf h PHE 95 CO 0.00 0.00 1.13 0.00 -0.60 0.00 0.00 178.31 178.84 5msf s ALA 96 N -3.16 3.76 0.78 2.45 0.00 -0.68 -4.99 121.76 119.91 5msf s ALA 96 Ca 0.07 1.46 -0.07 0.00 0.00 0.00 0.00 51.96 53.42 5msf s ALA 96 Cb 0.13 -3.77 0.13 0.00 0.00 0.00 0.00 23.12 19.60 5msf s ALA 96 CO 0.69 -1.26 1.09 0.95 0.00 0.00 0.00 175.76 177.23 5msf s THR 97 N 2.88 2.15 0.24 0.00 -4.23 -1.26 -4.86 115.64 110.56 5msf s THR 97 Ca 0.82 -0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 60.93 5msf s THR 97 Cb -0.46 -2.82 0.24 0.00 1.34 0.00 0.00 72.50 70.80 5msf s THR 97 CO 0.37 0.00 1.91 0.78 -0.54 0.00 0.00 174.62 177.14 5msf h ASN 98 N -0.85 1.08 -0.25 3.99 4.21 -1.99 -1.11 115.58 120.66 5msf h ASN 98 Ca -0.41 -0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.07 5msf h ASN 98 Cb 1.27 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 38.20 5msf h ASN 98 CO 0.46 0.77 0.15 0.28 -1.29 0.00 0.00 177.43 177.80 5msf h SER 99 N 1.27 0.31 -0.52 5.81 0.02 -1.99 0.30 113.55 118.75 5msf h SER 99 Ca 0.36 -0.06 0.09 0.00 -0.84 0.00 0.00 61.79 61.34 5msf h SER 99 Cb -0.11 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.28 5msf h SER 99 CO -0.09 0.28 0.11 0.44 -1.14 0.00 0.00 176.83 176.43 5msf h ASP 100 N 0.31 0.01 -0.07 3.07 3.32 -1.76 -1.28 116.42 120.02 5msf h ASP 100 Ca 0.09 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 5msf h ASP 100 Cb 0.03 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 5msf h ASP 100 CO -0.02 0.03 -0.09 0.00 -1.72 0.00 0.00 179.24 177.44 5msf h GLU 102 N 0.33 0.95 -0.46 0.00 5.08 0.16 -1.27 114.58 119.37 5msf h GLU 102 Ca 0.07 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 5msf h GLU 102 Cb 0.37 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 5msf h GLU 102 CO 0.02 0.80 0.29 1.25 -1.00 0.00 0.00 179.01 180.36 5msf h LEU 103 N 0.89 0.54 -0.75 1.33 5.85 -0.63 -0.21 115.31 122.34 5msf h LEU 103 Ca 0.21 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.94 5msf h LEU 103 Cb 0.20 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 5msf h LEU 103 CO -0.02 0.41 0.46 0.40 -0.34 0.00 0.00 178.44 179.36 5msf h ILE 104 N 0.61 1.05 -0.45 4.05 2.04 -0.97 -0.08 117.51 123.76 5msf h ILE 104 Ca 0.16 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 5msf h ILE 104 Cb -0.03 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.14 5msf h ILE 104 CO -0.03 0.16 0.08 0.58 0.00 0.00 0.00 178.15 178.94 5msf h VAL 105 N 0.87 1.24 -0.54 1.67 2.07 -0.70 -2.22 116.25 118.64 5msf h VAL 105 Ca 0.32 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 67.02 5msf h VAL 105 Cb 0.10 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 5msf h VAL 105 CO -0.14 0.31 0.25 0.11 0.02 0.00 0.00 177.57 178.11 5msf h LYS 106 N 0.61 0.46 -0.92 1.57 1.57 -0.22 -0.70 116.57 118.94 5msf h LYS 106 Ca 0.14 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.95 5msf h LYS 106 Cb 0.37 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 5msf h LYS 106 CO 0.01 0.30 0.60 0.00 -0.57 0.00 0.00 179.45 179.79 5msf h ALA 107 N 1.32 1.49 -0.41 3.86 0.00 -0.77 0.15 119.26 124.90 5msf h ALA 107 Ca 0.25 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 5msf h ALA 107 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 5msf h ALA 107 CO -0.20 0.37 -0.29 0.52 0.00 0.00 0.00 179.25 179.65 5msf h MET 108 N 1.06 0.89 -0.46 0.00 2.86 -0.62 -0.86 114.93 117.79 5msf h MET 108 Ca 0.39 -0.41 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 5msf h MET 108 Cb 0.19 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 5msf h MET 108 CO -0.15 1.06 -0.08 1.96 1.06 0.00 0.00 176.91 180.76 5msf h GLN 109 N 0.75 0.87 -0.59 1.72 4.20 -0.30 -2.97 115.11 118.81 5msf h GLN 109 Ca 0.09 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 5msf h GLN 109 Cb 0.85 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 5msf h GLN 109 CO 0.07 0.96 0.29 0.78 -0.67 0.00 0.00 178.83 180.26 5msf h GLY 110 N 0.72 0.90 0.43 3.46 0.00 -0.58 -1.16 103.07 106.84 5msf h GLY 110 Ca 0.12 -0.44 0.15 0.00 0.00 0.00 0.00 47.33 47.16 5msf h GLY 110 CO 0.04 0.42 0.60 -2.00 0.00 0.00 0.00 176.54 175.60 5msf h LEU 111 N 0.80 0.74 -2.87 3.11 5.85 -1.02 -2.56 115.31 119.36 5msf h LEU 111 Ca 0.20 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.97 5msf h LEU 111 Cb 0.11 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.05 5msf h LEU 111 CO -0.03 0.36 0.00 0.18 -0.34 0.00 0.00 178.44 178.61 5msf n LEU 112 N -4.61 3.69 -4.75 2.25 4.77 -0.95 -4.42 117.00 112.98 5msf n LEU 112 Ca 0.19 -2.10 -0.38 0.00 -0.03 0.00 0.00 56.01 53.69 5msf n LEU 112 Cb 0.47 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 5msf n LEU 112 CO 0.28 0.86 0.93 -0.75 -1.33 0.00 0.00 177.39 177.38 5msf s LYS 113 N -1.18 3.16 0.30 3.23 2.20 -0.48 -4.82 119.74 122.14 5msf s LYS 113 Ca 0.40 2.08 -0.30 0.00 -0.36 0.00 0.00 55.97 57.79 5msf s LYS 113 Cb 0.22 -2.19 -0.12 0.00 -1.51 0.00 0.00 37.83 34.22 5msf s LYS 113 CO 0.25 -1.13 1.45 -0.25 -0.36 0.00 0.00 175.35 175.31 5msf n ASP 114 N -1.11 3.22 0.00 1.43 9.92 -1.26 -2.17 116.55 126.58 5msf n ASP 114 Ca 0.11 1.17 0.00 0.00 -0.53 0.00 0.00 54.79 55.54 5msf n ASP 114 Cb 0.46 -1.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.43 5msf n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 5msf n GLY 115 N 1.62 1.41 3.88 0.44 0.00 -1.26 -5.05 105.19 106.23 5msf n GLY 115 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 5msf n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 5msf s ASN 116 N -2.53 6.36 0.12 1.61 0.01 -0.92 -4.89 114.94 114.69 5msf s ASN 116 Ca 0.00 1.25 -0.29 0.00 -0.71 0.00 0.00 52.86 53.11 5msf s ASN 116 Cb 0.00 -2.38 -0.09 0.00 0.41 0.00 0.00 41.25 39.18 5msf s ASN 116 CO 0.00 -0.65 1.48 -0.65 -1.51 0.00 0.00 177.10 175.77 5msf h PRO 117 N 0.33 -0.31 0.25 -0.60 0.11 -1.89 -1.75 132.00 128.13 5msf h PRO 117 Ca -0.46 0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.68 5msf h PRO 117 Cb 1.19 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 5msf h PRO 117 CO 0.62 -0.21 -0.39 0.82 -0.21 0.00 0.00 178.00 178.63 5msf h ILE 118 N -0.32 0.21 -0.87 4.15 1.08 -1.95 0.53 117.51 120.33 5msf h ILE 118 Ca 0.07 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.55 5msf h ILE 118 Cb 0.51 0.21 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 5msf h ILE 118 CO -0.55 0.00 0.58 1.55 -0.69 0.00 0.00 178.15 179.04 5msf h PRO 119 N -0.70 1.13 -0.83 2.37 0.13 -1.76 -1.61 132.00 130.72 5msf h PRO 119 Ca -0.00 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 5msf h PRO 119 Cb 0.68 -0.25 -0.04 0.00 0.13 0.00 0.00 31.00 31.52 5msf h PRO 119 CO -0.15 0.75 0.37 0.77 -0.23 0.00 0.00 178.00 179.51 5msf h SER 120 N 1.16 1.11 0.23 1.44 0.02 -0.91 -0.81 113.55 115.79 5msf h SER 120 Ca 0.32 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 5msf h SER 120 Cb -0.11 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.15 5msf h SER 120 CO -0.08 0.95 -0.11 0.00 -1.14 0.00 0.00 176.83 176.46 5msf h ALA 121 N 1.20 -0.31 -0.24 3.77 0.00 -0.49 -2.68 119.26 120.52 5msf h ALA 121 Ca 0.28 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.08 5msf h ALA 121 Cb 0.16 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 5msf h ALA 121 CO -0.03 -0.53 -0.11 0.82 0.00 0.00 0.00 179.25 179.40 5msf h ILE 122 N -0.59 0.65 0.00 0.00 2.04 -1.19 0.22 117.51 118.64 5msf h ILE 122 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 5msf h ILE 122 Cb 0.43 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 5msf h ILE 122 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.20 5msf n ALA 123 N -2.57 1.24 -0.71 1.87 0.00 -0.32 -1.74 120.51 118.28 5msf n ALA 123 Ca -0.01 0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.67 5msf n ALA 123 Cb 0.19 -1.34 0.20 0.00 0.00 0.00 0.00 19.45 18.50 5msf n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 5msf n ALA 124 N -1.78 2.63 -3.04 0.00 0.00 -0.43 -4.95 120.51 112.94 5msf n ALA 124 Ca -0.00 -1.93 -0.22 0.00 0.00 0.00 0.00 53.44 51.29 5msf n ALA 124 Cb 0.10 -0.56 0.02 0.00 0.00 0.00 0.00 19.45 19.01 5msf n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 5msf n ASN 125 N -0.32 -5.16 -4.59 0.00 3.02 -0.71 -4.95 115.26 102.56 5msf n ASN 125 Ca 0.17 -0.26 -0.28 0.00 -0.03 0.00 0.00 54.58 54.17 5msf n ASN 125 Cb 0.69 -4.21 -0.10 0.00 -0.61 0.00 0.00 39.78 35.56 5msf n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 5msf s SER 126 N -2.61 3.61 0.00 6.41 0.01 -0.07 -5.03 113.70 116.02 5msf s SER 126 Ca 0.29 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 56.05 5msf s SER 126 Cb -0.14 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.14 5msf s SER 126 CO 0.36 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.96 5msf n GLY 127 N -1.02 3.95 3.86 3.44 0.00 -1.26 -4.26 105.19 109.91 5msf n GLY 127 Ca -0.09 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.57 5msf n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5msf s ILE 128 N 1.89 5.40 0.00 -0.61 -1.09 -1.26 -4.83 121.20 120.70 5msf s ILE 128 Ca 0.00 0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 5msf s ILE 128 Cb 0.00 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 5msf s ILE 128 CO 0.00 0.60 0.00 0.00 -1.23 0.00 0.00 174.94 174.31