#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2msp s VAL 4 N 0.00 2.22 0.30 -3.33 -7.23 -1.26 -4.98 120.40 106.12 2msp s VAL 4 Ca 0.00 -1.01 -0.27 0.00 -1.81 0.00 0.00 61.98 58.88 2msp s VAL 4 Cb 0.00 -1.82 -0.14 0.00 0.56 0.00 0.00 36.38 34.99 2msp s VAL 4 CO 0.00 0.57 0.95 -0.81 -0.31 0.00 0.00 175.10 175.50 2msp n PRO 5 N 2.89 1.23 -1.63 4.82 -0.04 -1.26 -4.86 135.00 136.16 2msp n PRO 5 Ca -0.17 0.43 -0.30 0.00 -0.04 0.00 0.00 63.50 63.41 2msp n PRO 5 Cb 0.52 -1.78 0.07 0.00 -0.04 0.00 0.00 33.50 32.26 2msp n PRO 5 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2msp s PRO 6 N -1.55 2.50 0.74 0.54 0.05 -1.26 -5.02 135.00 130.99 2msp s PRO 6 Ca 0.59 0.69 -0.10 0.00 0.05 0.00 0.00 61.00 62.24 2msp s PRO 6 Cb -0.70 -1.96 0.06 0.00 0.05 0.00 0.00 34.50 31.94 2msp s PRO 6 CO 0.59 -1.34 1.08 0.20 0.05 0.00 0.00 177.00 177.59 2msp s GLY 7 N -3.97 1.63 0.54 0.56 0.00 -1.26 -5.06 107.32 99.76 2msp s GLY 7 Ca 0.59 -0.69 -0.06 0.00 0.00 0.00 0.00 44.72 44.56 2msp s GLY 7 CO 0.54 -0.27 0.85 0.51 0.00 0.00 0.00 173.10 174.72 2msp s ASP 8 N -4.49 5.94 0.30 1.64 1.47 -1.26 -4.76 116.67 115.51 2msp s ASP 8 Ca 0.60 0.83 0.11 0.00 1.18 0.00 0.00 52.55 55.27 2msp s ASP 8 Cb -0.11 -1.99 -0.05 0.00 -0.34 0.00 0.00 42.92 40.43 2msp s ASP 8 CO 0.48 -0.82 -0.17 0.27 0.68 0.00 0.00 175.17 175.61 2msp s ILE 9 N -2.87 2.40 -0.06 2.11 -4.36 -1.26 -1.43 121.20 115.73 2msp s ILE 9 Ca 0.51 -2.34 0.05 0.00 -0.26 0.00 0.00 60.65 58.60 2msp s ILE 9 Cb -0.10 -2.41 -0.02 0.00 1.25 0.00 0.00 42.46 41.18 2msp s ILE 9 CO 0.45 -0.34 -0.20 0.20 0.24 0.00 0.00 174.94 175.29 2msp s ASN 10 N -3.54 3.47 0.10 4.36 0.01 0.69 -4.87 114.94 115.17 2msp s ASN 10 Ca 0.31 -0.39 0.08 0.00 -0.71 0.00 0.00 52.86 52.15 2msp s ASN 10 Cb -0.03 -0.87 -0.04 0.00 0.41 0.00 0.00 41.25 40.73 2msp s ASN 10 CO 0.15 0.27 -0.21 0.42 -1.51 0.00 0.00 177.10 176.22 2msp s THR 11 N -0.33 1.76 -0.19 1.60 -4.23 -1.26 -0.21 115.64 112.79 2msp s THR 11 Ca 0.02 -1.56 -0.02 0.00 -1.18 0.00 0.00 61.69 58.95 2msp s THR 11 Cb -0.13 -1.59 0.06 0.00 1.34 0.00 0.00 72.50 72.17 2msp s THR 11 CO 0.02 -0.04 0.00 -1.10 -0.54 0.00 0.00 174.62 172.96 2msp s GLN 12 N -1.91 0.97 1.35 3.99 -0.21 -0.88 -2.37 119.66 120.61 2msp s GLN 12 Ca 0.07 -0.52 -0.23 0.00 0.02 0.00 0.00 55.36 54.70 2msp s GLN 12 Cb -0.10 -2.13 0.35 0.00 1.00 0.00 0.00 33.01 32.13 2msp s GLN 12 CO 0.04 -0.58 0.91 -0.35 -2.12 0.00 0.00 175.29 173.20 2msp n PRO 13 N 4.95 -4.25 -1.94 2.91 -0.04 -1.26 -1.25 135.00 134.11 2msp n PRO 13 Ca -0.10 -1.51 -0.10 0.00 -0.04 0.00 0.00 63.50 61.75 2msp n PRO 13 Cb 0.47 -1.75 0.06 0.00 -0.04 0.00 0.00 33.50 32.23 2msp n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2msp n GLY 14 N -5.26 4.48 0.00 0.55 0.00 -1.00 -4.82 105.19 99.14 2msp n GLY 14 Ca 0.14 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2msp n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2msp n SER 15 N -0.64 0.00 -2.02 1.61 7.64 -1.26 -4.98 113.62 113.97 2msp n SER 15 Ca 0.26 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 60.11 2msp n SER 15 Cb 0.89 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.11 2msp n SER 15 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2msp n LYS 16 N -0.56 0.46 -3.69 1.43 2.85 -1.26 -4.28 118.16 113.11 2msp n LYS 16 Ca 0.00 -0.94 -0.10 0.00 -1.05 0.00 0.00 58.31 56.22 2msp n LYS 16 Cb 0.00 1.22 -0.10 0.00 -0.65 0.00 0.00 35.03 35.49 2msp n LYS 16 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 2msp s ILE 17 N -2.44 -0.11 -0.13 0.58 -1.16 -0.17 -4.60 121.20 113.17 2msp s ILE 17 Ca 0.10 0.10 -0.05 0.00 -0.51 0.00 0.00 60.65 60.29 2msp s ILE 17 Cb -0.02 -0.64 -0.04 0.00 0.61 0.00 0.00 42.46 42.38 2msp s ILE 17 CO 0.04 0.04 0.05 -0.69 -2.81 0.00 0.00 174.94 171.57 2msp s VAL 18 N 1.59 4.67 -0.23 4.00 1.01 -1.26 -0.59 120.40 129.59 2msp s VAL 18 Ca -0.08 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 2msp s VAL 18 Cb -0.09 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 2msp s VAL 18 CO -0.13 0.56 -0.01 -0.36 0.00 0.00 0.00 175.10 175.16 2msp s PHE 19 N -0.44 3.00 -0.01 5.22 0.40 0.11 -4.95 117.98 121.31 2msp s PHE 19 Ca 0.09 -0.76 -0.14 0.00 -0.60 0.00 0.00 56.93 55.52 2msp s PHE 19 Cb -0.12 -2.15 -0.06 0.00 0.51 0.00 0.00 43.02 41.21 2msp s PHE 19 CO 0.02 -0.48 0.39 -0.80 0.70 0.00 0.00 175.22 175.04 2msp s ASN 20 N 1.52 6.78 1.15 1.36 0.01 -1.26 0.55 114.94 125.04 2msp s ASN 20 Ca 0.06 0.92 -0.16 0.00 -0.71 0.00 0.00 52.86 52.97 2msp s ASN 20 Cb -0.15 -2.24 0.26 0.00 0.41 0.00 0.00 41.25 39.54 2msp s ASN 20 CO -0.01 0.33 1.08 0.00 -1.51 0.00 0.00 177.10 176.99 2msp s ALA 21 N -1.06 0.51 0.50 0.60 0.00 0.92 -4.71 121.76 118.51 2msp s ALA 21 Ca 0.23 -0.67 -0.13 0.00 0.00 0.00 0.00 51.96 51.39 2msp s ALA 21 Cb -0.16 -3.00 -0.06 0.00 0.00 0.00 0.00 23.12 19.89 2msp s ALA 21 CO 0.13 -3.44 0.91 -1.25 0.00 0.00 0.00 175.76 172.11 2msp s PRO 22 N -5.14 3.80 -1.00 0.00 0.04 -1.26 -5.05 135.00 126.38 2msp s PRO 22 Ca 0.69 0.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 2msp s PRO 22 Cb -0.14 -2.23 0.32 0.00 0.04 0.00 0.00 34.50 32.49 2msp s PRO 22 CO 0.57 -0.24 1.70 0.66 0.04 0.00 0.00 177.00 179.73 2msp n TYR 23 N -1.75 2.78 -1.52 0.56 4.01 -1.26 -4.46 117.16 115.51 2msp n TYR 23 Ca 0.05 -2.68 0.06 0.00 -0.16 0.00 0.00 57.90 55.17 2msp n TYR 23 Cb 0.54 -1.15 0.11 0.00 -0.31 0.00 0.00 39.34 38.53 2msp n TYR 23 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2msp n ASP 24 N 0.17 1.56 -3.58 7.72 5.68 -1.26 -3.17 116.55 123.67 2msp n ASP 24 Ca 0.42 -2.90 -0.14 0.00 -0.50 0.00 0.00 54.79 51.67 2msp n ASP 24 Cb 0.28 -0.38 -0.06 0.00 -1.14 0.00 0.00 41.12 39.81 2msp n ASP 24 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2msp s ASP 25 N -2.44 -0.61 -0.25 -1.12 -1.08 -1.26 -4.95 116.67 104.96 2msp s ASP 25 Ca 0.26 0.93 -0.28 0.00 -0.52 0.00 0.00 52.55 52.95 2msp s ASP 25 Cb 0.24 0.86 -0.05 0.00 -1.46 0.00 0.00 42.92 42.51 2msp s ASP 25 CO -0.01 -0.38 2.24 -0.75 0.52 0.00 0.00 175.17 176.79 2msp s LYS 26 N -0.44 3.00 0.08 4.34 2.20 -1.26 -4.50 119.74 123.17 2msp s LYS 26 Ca -0.04 1.95 -0.08 0.00 -0.36 0.00 0.00 55.97 57.45 2msp s LYS 26 Cb -0.03 -4.40 -0.05 0.00 -1.51 0.00 0.00 37.83 31.84 2msp s LYS 26 CO 0.03 -2.25 0.37 -1.58 -0.36 0.00 0.00 175.35 171.56 2msp s HIS 27 N 8.79 3.56 -0.32 4.03 2.46 -0.72 -4.90 115.29 128.19 2msp s HIS 27 Ca 1.00 0.69 0.02 0.00 0.47 0.00 0.00 55.06 57.24 2msp s HIS 27 Cb -0.31 -2.09 0.10 0.00 -0.13 0.00 0.00 32.58 30.15 2msp s HIS 27 CO 0.34 0.52 0.05 0.99 -2.47 0.00 0.00 174.74 174.17 2msp s THR 28 N -1.44 1.82 0.65 0.89 2.01 -1.26 -1.12 115.64 117.19 2msp s THR 28 Ca 0.34 -1.99 -0.00 0.00 0.31 0.00 0.00 61.69 60.35 2msp s THR 28 Cb -0.13 -2.33 0.09 0.00 0.01 0.00 0.00 72.50 70.14 2msp s THR 28 CO 0.19 -0.58 0.91 -0.31 -0.69 0.00 0.00 174.62 174.15 2msp s TYR 29 N 1.14 2.11 0.18 4.92 1.51 0.16 -4.88 117.35 122.49 2msp s TYR 29 Ca 0.09 -0.15 0.06 0.00 -1.01 0.00 0.00 57.07 56.06 2msp s TYR 29 Cb -0.19 -2.90 -0.05 0.00 -0.11 0.00 0.00 41.96 38.72 2msp s TYR 29 CO -0.13 -1.38 -0.12 -1.01 -1.11 0.00 0.00 175.55 171.80 2msp s HIS 30 N -3.00 1.50 0.01 2.71 3.76 -1.26 -0.59 115.29 118.41 2msp s HIS 30 Ca 0.63 -0.66 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 2msp s HIS 30 Cb -0.07 -0.72 -0.01 0.00 1.11 0.00 0.00 32.58 32.89 2msp s HIS 30 CO 0.42 0.23 -0.02 0.42 -0.85 0.00 0.00 174.74 174.93 2msp s ILE 31 N -3.11 0.14 -0.27 0.60 1.01 0.97 -4.64 121.20 115.92 2msp s ILE 31 Ca 0.19 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 2msp s ILE 31 Cb 0.01 -0.17 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 2msp s ILE 31 CO 0.04 -0.12 0.06 -0.75 0.00 0.00 0.00 174.94 174.16 2msp s LYS 32 N -0.47 3.36 -0.17 2.79 2.20 -0.38 -0.19 119.74 126.88 2msp s LYS 32 Ca -0.04 -0.67 -0.07 0.00 -0.36 0.00 0.00 55.97 54.83 2msp s LYS 32 Cb -0.03 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 2msp s LYS 32 CO -0.00 -0.30 0.08 0.42 -0.36 0.00 0.00 175.35 175.18 2msp s ILE 33 N 1.54 4.93 -0.06 5.43 1.01 0.15 -2.06 121.20 132.15 2msp s ILE 33 Ca 0.05 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.73 2msp s ILE 33 Cb -0.16 -3.21 0.02 0.00 0.01 0.00 0.00 42.46 39.12 2msp s ILE 33 CO 0.02 0.48 -0.08 -0.89 0.00 0.00 0.00 174.94 174.47 2msp s THR 34 N 0.15 0.81 -0.83 2.92 2.01 0.71 -0.06 115.64 121.35 2msp s THR 34 Ca 0.06 -0.28 -0.25 0.00 0.31 0.00 0.00 61.69 61.52 2msp s THR 34 Cb -0.12 -0.79 0.03 0.00 0.01 0.00 0.00 72.50 71.63 2msp s THR 34 CO 0.00 0.29 1.43 0.21 -0.69 0.00 0.00 174.62 175.86 2msp s ASN 35 N 0.83 6.13 0.27 3.53 3.84 -0.27 -0.22 114.94 129.05 2msp s ASN 35 Ca -0.12 -0.73 0.26 0.00 0.21 0.00 0.00 52.86 52.48 2msp s ASN 35 Cb -0.15 -2.56 0.87 0.00 -0.55 0.00 0.00 41.25 38.86 2msp s ASN 35 CO 0.01 -1.84 1.76 0.00 -2.79 0.00 0.00 177.10 174.25 2msp h ALA 36 N 10.49 1.00 -2.06 1.71 0.00 -1.56 0.37 119.26 129.21 2msp h ALA 36 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.40 2msp h ALA 36 Cb 1.04 0.00 0.19 0.00 0.00 0.00 0.00 17.79 19.03 2msp h ALA 36 CO 1.32 0.00 0.09 0.20 0.00 0.00 0.00 179.25 180.86 2msp s GLY 37 N -3.67 1.55 0.04 0.00 0.00 -1.02 -4.78 107.32 99.44 2msp s GLY 37 Ca 0.07 -0.82 0.20 0.00 0.00 0.00 0.00 44.72 44.18 2msp s GLY 37 CO 0.53 0.05 0.69 0.61 0.00 0.00 0.00 173.10 174.98 2msp n GLY 38 N -0.47 -1.19 3.65 0.20 0.00 -1.26 -4.25 105.19 101.87 2msp n GLY 38 Ca 0.11 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 2msp n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2msp s ARG 39 N -3.18 2.02 1.12 1.61 0.52 -1.26 -4.77 118.95 115.01 2msp s ARG 39 Ca -0.05 -2.03 -0.13 0.00 -0.52 0.00 0.00 55.73 53.00 2msp s ARG 39 Cb 0.10 -1.74 0.23 0.00 0.52 0.00 0.00 34.95 34.07 2msp s ARG 39 CO 0.84 -0.05 0.85 0.54 0.02 0.00 0.00 175.30 177.49 2msp n ARG 40 N -1.03 -1.96 -3.73 3.54 1.74 -1.26 -4.33 116.66 109.63 2msp n ARG 40 Ca -0.04 -0.54 -0.10 0.00 -0.77 0.00 0.00 57.85 56.40 2msp n ARG 40 Cb 0.66 -2.11 -0.05 0.00 -1.02 0.00 0.00 32.46 29.94 2msp n ARG 40 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2msp s ILE 41 N -2.41 0.08 -0.08 0.55 -4.36 -0.47 -3.37 121.20 111.14 2msp s ILE 41 Ca 0.66 -0.81 0.03 0.00 -0.26 0.00 0.00 60.65 60.27 2msp s ILE 41 Cb -0.23 -1.30 0.01 0.00 1.25 0.00 0.00 42.46 42.18 2msp s ILE 41 CO 0.64 -0.38 -0.18 -0.83 0.24 0.00 0.00 174.94 174.44 2msp s GLY 42 N -2.84 1.03 0.05 6.27 0.00 0.17 -1.24 107.32 110.77 2msp s GLY 42 Ca 0.05 -0.67 0.03 0.00 0.00 0.00 0.00 44.72 44.13 2msp s GLY 42 CO -0.10 -0.10 -0.10 0.66 0.00 0.00 0.00 173.10 173.46 2msp s TRP 43 N 0.49 0.83 -0.01 1.90 1.48 0.15 -0.62 118.94 123.16 2msp s TRP 43 Ca -0.16 -0.50 -0.15 0.00 -1.06 0.00 0.00 56.10 54.24 2msp s TRP 43 Cb -0.17 -0.49 0.02 0.00 -1.16 0.00 0.00 33.47 31.68 2msp s TRP 43 CO 0.06 -0.04 0.31 0.00 -4.06 0.00 0.00 176.95 173.22 2msp s ALA 44 N -1.39 -0.77 -0.07 2.67 0.00 0.24 0.33 121.76 122.77 2msp s ALA 44 Ca -0.07 0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.15 2msp s ALA 44 Cb -0.10 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2msp s ALA 44 CO 0.01 -0.28 0.03 0.42 0.00 0.00 0.00 175.76 175.94 2msp s ILE 45 N -1.50 4.52 -0.03 0.00 -1.09 -0.01 -0.65 121.20 122.45 2msp s ILE 45 Ca -0.12 -0.25 0.01 0.00 -2.23 0.00 0.00 60.65 58.06 2msp s ILE 45 Cb -0.05 -2.95 0.01 0.00 -1.58 0.00 0.00 42.46 37.90 2msp s ILE 45 CO 0.03 0.54 -0.05 -0.75 -1.23 0.00 0.00 174.94 173.49 2msp s LYS 46 N -1.12 0.64 0.32 2.79 2.20 0.14 -4.96 119.74 119.76 2msp s LYS 46 Ca 0.16 -0.13 0.03 0.00 -0.36 0.00 0.00 55.97 55.67 2msp s LYS 46 Cb -0.12 -0.66 0.03 0.00 -1.51 0.00 0.00 37.83 35.58 2msp s LYS 46 CO 0.05 0.00 0.27 0.25 -0.36 0.00 0.00 175.35 175.57 2msp n THR 47 N 3.59 0.00 0.19 3.43 -2.24 -1.26 0.22 114.28 118.21 2msp n THR 47 Ca -0.21 -1.24 0.03 0.00 -2.27 0.00 0.00 64.05 60.36 2msp n THR 47 Cb 0.54 -0.30 0.04 0.00 -2.10 0.00 0.00 70.33 68.50 2msp n THR 47 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2msp n THR 48 N -1.32 0.20 -3.12 4.28 -1.04 -1.18 -4.79 114.28 107.32 2msp n THR 48 Ca 0.00 -0.60 -0.18 0.00 -2.04 0.00 0.00 64.05 61.24 2msp n THR 48 Cb 0.36 1.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.82 2msp n THR 48 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2msp n ASN 49 N 0.30 -1.63 -0.00 8.00 2.85 -1.26 -4.93 115.26 118.59 2msp n ASN 49 Ca 0.04 -2.64 0.21 0.00 -0.11 0.00 0.00 54.58 52.09 2msp n ASN 49 Cb 0.20 0.38 0.71 0.00 1.24 0.00 0.00 39.78 42.31 2msp n ASN 49 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 2msp h MET 50 N 5.20 0.00 -0.02 1.20 2.86 -1.86 0.11 114.93 122.41 2msp h MET 50 Ca 0.16 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2msp h MET 50 Cb 0.98 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.64 2msp h MET 50 CO 0.25 0.00 -0.00 0.00 1.06 0.00 0.00 176.91 178.21 2msp h ARG 51 N 0.00 0.04 0.00 1.72 3.08 -2.01 -3.39 114.38 113.82 2msp h ARG 51 Ca 0.26 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 2msp h ARG 51 Cb 1.08 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 2msp h ARG 51 CO -0.00 0.39 -0.83 -0.09 -1.07 0.00 0.00 179.97 178.37 2msp h ARG 52 N -0.31 0.00 -7.09 0.04 2.43 -1.71 -3.47 114.38 104.26 2msp h ARG 52 Ca 0.01 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.73 2msp h ARG 52 Cb 0.38 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 29.99 2msp h ARG 52 CO 0.00 0.68 0.11 -0.51 -1.51 0.00 0.00 179.97 178.75 2msp s LEU 53 N -8.05 3.02 -0.22 3.80 1.43 0.29 -2.23 118.68 116.72 2msp s LEU 53 Ca -0.22 0.25 -0.26 0.00 -1.03 0.00 0.00 54.13 52.87 2msp s LEU 53 Cb 0.03 -3.00 0.07 0.00 0.03 0.00 0.00 46.19 43.32 2msp s LEU 53 CO 0.47 -1.39 0.70 -0.83 0.23 0.00 0.00 176.35 175.53 2msp s GLY 54 N -4.47 -0.54 0.28 -3.19 0.00 -1.09 -4.61 107.32 93.69 2msp s GLY 54 Ca 0.59 1.85 0.08 0.00 0.00 0.00 0.00 44.72 47.23 2msp s GLY 54 CO 0.42 1.55 -0.10 0.14 0.00 0.00 0.00 173.10 175.11 2msp s VAL 55 N 0.03 1.86 0.00 1.40 1.01 -1.26 -1.22 120.40 122.22 2msp s VAL 55 Ca -0.02 -2.19 0.00 0.00 0.00 0.00 0.00 61.98 59.77 2msp s VAL 55 Cb -0.04 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.96 2msp s VAL 55 CO 0.03 -0.35 0.00 -0.67 0.00 0.00 0.00 175.10 174.11 2msp n ASP 56 N -0.58 0.00 -4.82 3.32 2.03 -1.19 -4.53 116.55 110.77 2msp n ASP 56 Ca -0.06 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.92 2msp n ASP 56 Cb 0.62 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.98 2msp n ASP 56 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2msp s PRO 57 N 0.00 3.98 0.01 -0.67 0.04 -1.26 -1.25 135.00 135.84 2msp s PRO 57 Ca 0.00 1.15 0.28 0.00 0.04 0.00 0.00 61.00 62.47 2msp s PRO 57 Cb 0.00 -2.14 1.01 0.00 0.04 0.00 0.00 34.50 33.41 2msp s PRO 57 CO 0.00 -0.26 1.77 -2.30 0.04 0.00 0.00 177.00 176.26 2msp n PRO 58 N -1.06 0.02 -3.56 0.56 -0.02 -1.26 -4.89 135.00 124.78 2msp n PRO 58 Ca 0.08 0.01 -0.09 0.00 -2.02 0.00 0.00 63.50 61.47 2msp n PRO 58 Cb 0.54 -1.52 -0.04 0.00 -0.02 0.00 0.00 33.50 32.46 2msp n PRO 58 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2msp s SER 59 N -3.08 -0.34 0.06 2.55 1.04 -1.26 -0.83 113.70 111.83 2msp s SER 59 Ca 0.13 0.27 -0.13 0.00 0.48 0.00 0.00 55.95 56.70 2msp s SER 59 Cb 0.18 0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.65 2msp s SER 59 CO 0.58 -0.39 0.59 0.61 0.98 0.00 0.00 173.24 175.61 2msp n GLY 60 N 0.44 0.75 3.29 7.32 0.00 0.15 -4.92 105.19 112.23 2msp n GLY 60 Ca -0.09 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 2msp n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2msp s VAL 61 N -2.22 2.13 -0.04 1.61 1.01 -1.26 0.30 120.40 121.92 2msp s VAL 61 Ca 0.13 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2msp s VAL 61 Cb -0.01 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.62 2msp s VAL 61 CO 0.02 0.57 -0.06 -0.76 0.00 0.00 0.00 175.10 174.88 2msp s LEU 62 N -0.30 1.43 0.00 3.92 1.02 -0.37 -4.97 118.68 119.41 2msp s LEU 62 Ca 0.00 -0.15 -0.06 0.00 0.02 0.00 0.00 54.13 53.95 2msp s LEU 62 Cb -0.13 -0.49 0.08 0.00 0.02 0.00 0.00 46.19 45.68 2msp s LEU 62 CO 0.02 -0.03 0.30 0.47 0.02 0.00 0.00 176.35 177.14 2msp n ASP 63 N 3.92 -1.25 -4.82 2.29 8.00 -1.26 -1.36 116.55 122.06 2msp n ASP 63 Ca -0.24 -0.70 -0.34 0.00 0.71 0.00 0.00 54.79 54.21 2msp n ASP 63 Cb 0.51 -0.28 -0.06 0.00 -0.02 0.00 0.00 41.12 41.27 2msp n ASP 63 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2msp s PRO 64 N -3.69 4.23 0.00 -0.24 0.04 -1.26 -3.31 135.00 130.78 2msp s PRO 64 Ca 0.20 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2msp s PRO 64 Cb -0.02 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 32.00 2msp s PRO 64 CO 0.15 0.18 0.00 0.43 0.04 0.00 0.00 177.00 177.80 2msp n SER 65 N -0.03 0.00 -4.88 6.66 7.64 0.13 -4.95 113.62 118.18 2msp n SER 65 Ca 0.03 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.61 2msp n SER 65 Cb 0.52 -1.65 0.02 0.00 -1.01 0.00 0.00 64.21 62.09 2msp n SER 65 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2msp s GLU 66 N -0.64 3.38 0.06 1.43 2.12 -1.21 -4.79 118.70 119.06 2msp s GLU 66 Ca 0.00 0.58 -0.07 0.00 0.36 0.00 0.00 54.97 55.83 2msp s GLU 66 Cb 0.00 -2.11 -0.01 0.00 0.26 0.00 0.00 34.13 32.27 2msp s GLU 66 CO 0.00 -0.64 0.14 -1.59 -0.54 0.00 0.00 175.26 172.63 2msp s LYS 67 N -5.16 0.72 0.04 4.30 -2.85 -1.26 -1.11 119.74 114.42 2msp s LYS 67 Ca 0.55 -0.88 -0.02 0.00 -1.00 0.00 0.00 55.97 54.62 2msp s LYS 67 Cb -0.11 0.29 -0.03 0.00 -2.06 0.00 0.00 37.83 35.92 2msp s LYS 67 CO 0.52 -0.21 -0.01 0.54 0.10 0.00 0.00 175.35 176.30 2msp s VAL 68 N -3.31 0.17 -0.33 1.79 0.11 0.91 -4.97 120.40 114.77 2msp s VAL 68 Ca 0.01 -1.43 0.02 0.00 -2.93 0.00 0.00 61.98 57.64 2msp s VAL 68 Cb 0.03 -1.06 0.09 0.00 -1.53 0.00 0.00 36.38 33.90 2msp s VAL 68 CO -0.08 -0.79 0.04 -0.22 -3.33 0.00 0.00 175.10 170.72 2msp s LEU 69 N -2.38 4.45 0.12 2.54 2.96 -1.26 0.34 118.68 125.45 2msp s LEU 69 Ca -0.01 -1.84 0.04 0.00 -0.22 0.00 0.00 54.13 52.10 2msp s LEU 69 Cb 0.01 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 2msp s LEU 69 CO -0.07 -0.35 0.08 0.00 -1.32 0.00 0.00 176.35 174.69 2msp s MET 70 N 1.04 2.78 -0.26 1.98 0.23 0.74 -4.76 119.30 121.05 2msp s MET 70 Ca 0.04 -0.82 -0.09 0.00 -1.03 0.00 0.00 55.69 53.79 2msp s MET 70 Cb -0.20 -2.63 -0.04 0.00 -1.53 0.00 0.00 34.83 30.43 2msp s MET 70 CO -0.06 0.52 0.12 0.00 -2.03 0.00 0.00 175.02 173.57 2msp s ALA 71 N -1.53 3.33 -0.05 3.16 0.00 -0.38 -0.02 121.76 126.27 2msp s ALA 71 Ca 0.29 -1.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.04 2msp s ALA 71 Cb -0.11 -2.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 2msp s ALA 71 CO 0.21 -0.46 0.33 0.08 0.00 0.00 0.00 175.76 175.92 2msp s VAL 72 N 1.58 5.18 0.21 0.00 1.01 0.24 -3.17 120.40 125.45 2msp s VAL 72 Ca 0.06 0.66 0.10 0.00 0.00 0.00 0.00 61.98 62.80 2msp s VAL 72 Cb -0.15 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2msp s VAL 72 CO 0.06 0.56 -0.12 -0.44 0.00 0.00 0.00 175.10 175.16 2msp s SER 73 N -0.84 4.06 -0.12 3.32 0.01 -0.36 0.37 113.70 120.16 2msp s SER 73 Ca 0.21 -0.70 -0.04 0.00 1.31 0.00 0.00 55.95 56.73 2msp s SER 73 Cb -0.15 -0.60 0.05 0.00 0.21 0.00 0.00 66.02 65.53 2msp s SER 73 CO 0.10 0.08 0.13 0.00 0.41 0.00 0.00 173.24 173.96 2msp s ASP 75 N 2.22 4.54 0.86 0.00 2.15 -0.95 -1.75 116.67 123.75 2msp s ASP 75 Ca 0.04 0.87 -0.11 0.00 0.43 0.00 0.00 52.55 53.78 2msp s ASP 75 Cb -0.14 -1.43 0.11 0.00 -0.30 0.00 0.00 42.92 41.17 2msp s ASP 75 CO -0.07 -1.89 1.15 0.42 -0.17 0.00 0.00 175.17 174.60 2msp s THR 76 N -3.50 2.34 0.00 1.71 -4.23 -1.26 -4.87 115.64 105.83 2msp s THR 76 Ca 0.62 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 2msp s THR 76 Cb -0.12 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.42 2msp s THR 76 CO 0.50 -0.14 0.00 2.22 -0.54 0.00 0.00 174.62 176.66 2msp n PHE 77 N -3.88 0.00 -3.41 3.99 -1.74 -1.19 -5.04 117.46 106.19 2msp n PHE 77 Ca 0.12 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.74 2msp n PHE 77 Cb 0.52 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.43 2msp n PHE 77 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 2msp n ASN 78 N 0.00 0.55 0.19 5.98 2.85 -1.26 -4.87 115.26 118.70 2msp n ASN 78 Ca 0.00 -2.67 0.00 0.00 -0.11 0.00 0.00 54.58 51.80 2msp n ASN 78 Cb 0.00 -0.62 0.00 0.00 1.24 0.00 0.00 39.78 40.40 2msp n ASN 78 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2msp n ALA 79 N 2.14 0.00 -0.89 5.20 0.00 -1.26 0.71 120.51 126.41 2msp n ALA 79 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.69 2msp n ALA 79 Cb 0.47 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.25 2msp n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2msp n ALA 80 N -1.27 4.25 -2.66 0.00 0.00 -1.26 -4.33 120.51 115.25 2msp n ALA 80 Ca 0.00 -2.07 -0.02 0.00 0.00 0.00 0.00 53.44 51.35 2msp n ALA 80 Cb 0.77 -1.20 0.12 0.00 0.00 0.00 0.00 19.45 19.14 2msp n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2msp n THR 81 N 0.17 0.00 -3.63 0.00 -2.24 0.22 -5.12 114.28 103.68 2msp n THR 81 Ca 0.34 -0.96 -0.12 0.00 -2.27 0.00 0.00 64.05 61.05 2msp n THR 81 Cb 1.28 0.96 -0.07 0.00 -2.10 0.00 0.00 70.33 70.39 2msp n THR 81 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2msp s GLU 82 N 0.12 0.71 0.50 -0.78 2.02 -1.25 -4.94 118.70 115.09 2msp s GLU 82 Ca 0.09 0.88 -0.23 0.00 0.02 0.00 0.00 54.97 55.74 2msp s GLU 82 Cb 0.41 0.33 -0.06 0.00 0.10 0.00 0.00 34.13 34.90 2msp s GLU 82 CO -0.12 -0.09 1.33 0.34 0.02 0.00 0.00 175.26 176.74 2msp s ASP 83 N 0.46 5.63 0.00 -0.19 -1.08 -1.26 -4.89 116.67 115.34 2msp s ASP 83 Ca -0.00 2.70 0.00 0.00 -0.52 0.00 0.00 52.55 54.73 2msp s ASP 83 Cb -0.05 -2.63 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 2msp s ASP 83 CO -0.03 -1.32 0.47 0.18 0.52 0.00 0.00 175.17 174.99 2msp n LEU 84 N -0.68 0.47 -0.11 -1.34 4.32 -1.26 -4.76 117.00 113.64 2msp n LEU 84 Ca 0.08 -0.47 0.09 0.00 -0.02 0.00 0.00 56.01 55.70 2msp n LEU 84 Cb 0.45 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.16 2msp n LEU 84 CO 0.53 0.12 0.03 0.59 -1.22 0.00 0.00 177.39 177.44 2msp n ASN 85 N -0.09 1.15 -1.27 -1.43 5.03 -1.26 -4.52 115.26 112.86 2msp n ASN 85 Ca 0.00 -1.08 -0.08 0.00 0.87 0.00 0.00 54.58 54.30 2msp n ASN 85 Cb 0.34 0.88 0.15 0.00 -1.02 0.00 0.00 39.78 40.13 2msp n ASN 85 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2msp n ASN 86 N -1.13 3.12 -4.83 6.41 3.02 -1.26 -5.00 115.26 115.58 2msp n ASN 86 Ca 0.05 -3.82 -0.32 0.00 -0.03 0.00 0.00 54.58 50.46 2msp n ASN 86 Cb 0.33 -0.56 -0.06 0.00 -0.61 0.00 0.00 39.78 38.89 2msp n ASN 86 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2msp s ASP 87 N -2.95 5.88 0.10 6.41 1.11 -1.26 -4.93 116.67 121.03 2msp s ASP 87 Ca 0.45 0.15 -0.14 0.00 0.18 0.00 0.00 52.55 53.19 2msp s ASP 87 Cb 0.40 -1.71 0.03 0.00 1.07 0.00 0.00 42.92 42.71 2msp s ASP 87 CO -0.01 0.21 0.34 -0.60 1.18 0.00 0.00 175.17 176.29 2msp s ARG 88 N -2.20 0.98 -0.12 8.23 3.52 -1.26 -2.92 118.95 125.17 2msp s ARG 88 Ca 0.29 -0.73 0.01 0.00 -0.13 0.00 0.00 55.73 55.18 2msp s ARG 88 Cb -0.12 0.42 0.02 0.00 -1.56 0.00 0.00 34.95 33.71 2msp s ARG 88 CO 0.21 -0.36 -0.16 0.42 -0.81 0.00 0.00 175.30 174.60 2msp s ILE 89 N -3.61 1.59 -0.19 4.11 1.01 0.86 -3.07 121.20 121.90 2msp s ILE 89 Ca 0.02 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 2msp s ILE 89 Cb 0.02 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 2msp s ILE 89 CO -0.10 0.46 -0.01 0.00 0.00 0.00 0.00 174.94 175.29 2msp s ILE 91 N 0.82 2.99 -0.08 0.00 1.01 0.13 0.28 121.20 126.35 2msp s ILE 91 Ca 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 59.96 2msp s ILE 91 Cb -0.14 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 2msp s ILE 91 CO 0.02 0.38 -0.20 -1.61 0.00 0.00 0.00 174.94 173.53 2msp s GLU 92 N 1.40 2.82 0.10 2.79 2.02 0.18 -0.48 118.70 127.52 2msp s GLU 92 Ca 0.04 -0.80 -0.12 0.00 0.02 0.00 0.00 54.97 54.11 2msp s GLU 92 Cb -0.15 -2.34 0.01 0.00 0.10 0.00 0.00 34.13 31.75 2msp s GLU 92 CO -0.05 0.36 0.27 1.67 0.02 0.00 0.00 175.26 177.53 2msp s TRP 93 N -0.08 0.00 0.19 1.61 -2.14 -0.26 0.81 118.94 119.08 2msp s TRP 93 Ca -0.04 -0.36 -0.15 0.00 2.66 0.00 0.00 56.10 58.21 2msp s TRP 93 Cb -0.14 0.07 0.01 0.00 -3.10 0.00 0.00 33.47 30.31 2msp s TRP 93 CO 0.04 -0.59 0.45 -0.08 -2.66 0.00 0.00 176.95 174.11 2msp s THR 94 N -3.69 0.04 0.86 0.66 -1.32 0.20 -0.62 115.64 111.77 2msp s THR 94 Ca 0.03 -1.01 -0.11 0.00 -1.21 0.00 0.00 61.69 59.39 2msp s THR 94 Cb 0.03 -1.69 0.11 0.00 -1.51 0.00 0.00 72.50 69.44 2msp s THR 94 CO -0.10 -0.17 1.09 0.20 -2.21 0.00 0.00 174.62 173.43 2msp s ASN 95 N -2.91 3.85 0.02 8.08 -0.87 -1.26 0.46 114.94 122.31 2msp s ASN 95 Ca 0.12 1.42 0.02 0.00 -1.57 0.00 0.00 52.86 52.85 2msp s ASN 95 Cb 0.00 -2.12 -0.04 0.00 -0.02 0.00 0.00 41.25 39.08 2msp s ASN 95 CO -0.01 -2.39 0.03 0.42 -2.57 0.00 0.00 177.10 172.57 2msp s THR 96 N -3.02 4.29 0.11 1.60 -4.23 -1.22 -4.62 115.64 108.55 2msp s THR 96 Ca 0.62 -0.65 -0.35 0.00 -1.18 0.00 0.00 61.69 60.13 2msp s THR 96 Cb -0.17 -2.96 -0.17 0.00 1.34 0.00 0.00 72.50 70.54 2msp s THR 96 CO 0.56 0.30 1.10 -2.65 -0.54 0.00 0.00 174.62 173.38 2msp n PRO 97 N 1.10 0.69 -0.17 3.99 -0.01 -1.26 -4.75 135.00 134.59 2msp n PRO 97 Ca -0.13 0.25 0.14 0.00 -0.01 0.00 0.00 63.50 63.74 2msp n PRO 97 Cb 0.52 -1.72 0.22 0.00 -0.01 0.00 0.00 33.50 32.51 2msp n PRO 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 175.50 175.24 2msp n ASP 98 N 1.97 0.04 -3.43 2.55 8.00 -1.26 -1.88 116.55 122.55 2msp n ASP 98 Ca 0.17 0.37 -0.27 0.00 0.71 0.00 0.00 54.79 55.78 2msp n ASP 98 Cb 0.19 -0.18 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 2msp n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2msp n GLY 99 N -1.20 2.36 3.79 0.44 0.00 -1.26 -5.12 105.19 104.21 2msp n GLY 99 Ca 0.13 -1.45 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 2msp n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2msp s ALA 100 N -0.18 3.52 -0.12 4.61 0.00 -0.79 -5.10 121.76 123.71 2msp s ALA 100 Ca 0.32 -1.35 -0.09 0.00 0.00 0.00 0.00 51.96 50.84 2msp s ALA 100 Cb 0.04 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 2msp s ALA 100 CO -0.19 0.37 0.19 0.00 0.00 0.00 0.00 175.76 176.13 2msp s ALA 101 N -1.96 3.80 -0.92 0.00 0.00 -1.26 -4.99 121.76 116.43 2msp s ALA 101 Ca 0.32 -0.56 -0.25 0.00 0.00 0.00 0.00 51.96 51.46 2msp s ALA 101 Cb -0.09 -2.10 -0.12 0.00 0.00 0.00 0.00 23.12 20.81 2msp s ALA 101 CO 0.23 0.48 2.16 0.15 0.00 0.00 0.00 175.76 178.78 2msp s LYS 102 N -0.70 1.95 -0.30 0.00 1.02 -1.26 -4.64 119.74 115.81 2msp s LYS 102 Ca 0.15 -0.11 -0.17 0.00 0.02 0.00 0.00 55.97 55.87 2msp s LYS 102 Cb -0.13 -4.96 0.18 0.00 -0.52 0.00 0.00 37.83 32.40 2msp s LYS 102 CO 0.05 -4.22 1.14 -1.14 -0.92 0.00 0.00 175.35 170.26 2msp s GLN 103 N 7.93 0.16 0.28 1.68 0.74 -1.26 -5.06 119.66 124.13 2msp s GLN 103 Ca 0.81 0.40 -0.30 0.00 0.05 0.00 0.00 55.36 56.31 2msp s GLN 103 Cb -0.08 0.24 -0.12 0.00 1.10 0.00 0.00 33.01 34.15 2msp s GLN 103 CO 0.07 -0.06 1.61 0.34 -0.55 0.00 0.00 175.29 176.70 2msp n PHE 104 N 4.79 2.82 -3.86 1.67 7.35 -1.26 -4.98 117.46 123.98 2msp n PHE 104 Ca -0.08 0.23 -0.30 0.00 -0.76 0.00 0.00 57.45 56.54 2msp n PHE 104 Cb 0.54 -2.60 -0.15 0.00 0.35 0.00 0.00 39.48 37.61 2msp n PHE 104 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2msp s ARG 105 N -0.28 1.14 0.34 -4.13 0.52 -1.26 -5.01 118.95 110.26 2msp s ARG 105 Ca 0.66 -1.22 0.17 0.00 -0.52 0.00 0.00 55.73 54.82 2msp s ARG 105 Cb -0.50 -2.47 1.19 0.00 0.52 0.00 0.00 34.95 33.69 2msp s ARG 105 CO 0.46 -0.85 1.47 -2.13 0.02 0.00 0.00 175.30 174.27 2msp n ARG 106 N 4.66 -0.06 -0.28 3.54 3.00 -1.26 -0.40 116.66 125.86 2msp n ARG 106 Ca -0.03 1.30 0.09 0.00 -0.00 0.00 0.00 57.85 59.20 2msp n ARG 106 Cb 0.43 -2.30 0.22 0.00 0.00 0.00 0.00 32.46 30.81 2msp n ARG 106 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2msp h GLU 107 N 0.00 0.13 -1.93 -0.14 3.07 -1.99 -0.26 114.58 113.46 2msp h GLU 107 Ca 0.76 -0.01 0.57 0.00 -0.50 0.00 0.00 59.36 60.18 2msp h GLU 107 Cb 1.97 -0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 29.77 2msp h GLU 107 CO -0.74 0.09 1.38 -1.49 -1.40 0.00 0.00 179.01 176.85 2msp h TRP 108 N 0.13 0.05 0.07 4.33 6.55 -1.16 0.69 115.95 126.61 2msp h TRP 108 Ca 0.48 0.00 -0.20 0.00 0.95 0.00 0.00 58.89 60.12 2msp h TRP 108 Cb 0.91 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 29.20 2msp h TRP 108 CO -0.37 -0.03 -1.02 0.74 -1.05 0.00 0.00 178.44 176.71 2msp h PHE 109 N 0.00 0.27 -0.94 0.49 -1.00 -1.24 -3.35 116.94 111.17 2msp h PHE 109 Ca 0.94 -0.19 0.17 0.00 2.81 0.00 0.00 57.97 61.69 2msp h PHE 109 Cb 3.70 -0.01 -0.08 0.00 3.61 0.00 0.00 35.95 43.17 2msp h PHE 109 CO -0.00 1.40 0.60 1.96 -1.61 0.00 0.00 178.31 180.66 2msp h GLN 110 N -0.61 0.64 0.00 1.51 4.20 0.34 -3.45 115.11 117.74 2msp h GLN 110 Ca -0.23 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2msp h GLN 110 Cb 1.49 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2msp h GLN 110 CO -0.00 0.42 0.00 0.41 -0.67 0.00 0.00 178.83 178.99 2msp n GLY 111 N -1.42 -3.13 3.55 3.46 0.00 -0.63 -4.97 105.19 102.05 2msp n GLY 111 Ca 0.20 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 2msp n GLY 111 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2msp s ASP 112 N -2.04 6.11 0.00 1.61 1.11 -1.26 -4.99 116.67 117.21 2msp s ASP 112 Ca 0.00 -0.20 0.00 0.00 0.18 0.00 0.00 52.55 52.53 2msp s ASP 112 Cb 0.00 -2.16 0.00 0.00 1.07 0.00 0.00 42.92 41.83 2msp s ASP 112 CO 0.00 -0.23 0.00 0.61 1.18 0.00 0.00 175.17 176.73 2msp n GLY 113 N 5.00 -0.53 3.51 0.21 0.00 -1.26 -4.61 105.19 107.51 2msp n GLY 113 Ca -0.11 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 2msp n GLY 113 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2msp s MET 114 N -1.39 2.39 -0.06 1.61 -1.94 -1.26 -4.85 119.30 113.81 2msp s MET 114 Ca 0.00 -0.79 0.01 0.00 -1.71 0.00 0.00 55.69 53.20 2msp s MET 114 Cb 0.00 -2.36 0.02 0.00 2.01 0.00 0.00 34.83 34.50 2msp s MET 114 CO 0.00 0.59 -0.06 0.08 -0.01 0.00 0.00 175.02 175.62 2msp s VAL 115 N -0.88 0.71 0.02 -6.03 1.01 -1.26 -4.68 120.40 109.29 2msp s VAL 115 Ca 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 2msp s VAL 115 Cb -0.11 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2msp s VAL 115 CO 0.04 0.27 0.22 -0.60 0.00 0.00 0.00 175.10 175.03 2msp s ARG 116 N 0.96 3.48 0.02 2.72 3.52 0.21 -4.97 118.95 124.90 2msp s ARG 116 Ca -0.10 -0.28 0.05 0.00 -0.13 0.00 0.00 55.73 55.27 2msp s ARG 116 Cb -0.14 -3.06 -0.02 0.00 -1.56 0.00 0.00 34.95 30.16 2msp s ARG 116 CO 0.00 0.64 -0.16 1.03 -0.81 0.00 0.00 175.30 176.00 2msp s ARG 117 N -2.08 1.17 -0.03 5.12 0.52 -1.26 -1.10 118.95 121.29 2msp s ARG 117 Ca 0.30 -0.74 -0.01 0.00 -0.52 0.00 0.00 55.73 54.76 2msp s ARG 117 Cb -0.13 -1.19 0.03 0.00 0.52 0.00 0.00 34.95 34.18 2msp s ARG 117 CO 0.21 0.31 0.06 0.21 0.02 0.00 0.00 175.30 176.10 2msp s LYS 118 N -0.88 0.01 -0.15 3.54 2.20 0.36 -5.01 119.74 119.81 2msp s LYS 118 Ca 0.05 0.20 -0.04 0.00 -0.36 0.00 0.00 55.97 55.81 2msp s LYS 118 Cb -0.07 -0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.04 2msp s LYS 118 CO 0.01 -0.13 0.00 -0.80 -0.36 0.00 0.00 175.35 174.07 2msp s ASN 119 N 0.87 5.15 -0.31 1.43 0.01 -1.26 -0.69 114.94 120.14 2msp s ASN 119 Ca -0.07 -0.00 0.02 0.00 -0.71 0.00 0.00 52.86 52.10 2msp s ASN 119 Cb -0.10 -1.76 0.07 0.00 0.41 0.00 0.00 41.25 39.87 2msp s ASN 119 CO -0.03 0.22 -0.01 -0.76 -1.51 0.00 0.00 177.10 175.01 2msp s LEU 120 N 0.07 4.09 0.29 0.60 1.43 0.26 -4.84 118.68 120.58 2msp s LEU 120 Ca 0.02 -1.65 -0.19 0.00 -1.03 0.00 0.00 54.13 51.28 2msp s LEU 120 Cb -0.13 -1.63 -0.09 0.00 0.03 0.00 0.00 46.19 44.37 2msp s LEU 120 CO 0.02 -0.29 0.77 -2.16 0.23 0.00 0.00 176.35 174.92 2msp s PRO 121 N 1.08 4.18 -0.16 1.29 0.04 -1.26 0.30 135.00 140.46 2msp s PRO 121 Ca -0.01 0.85 -0.17 0.00 0.04 0.00 0.00 61.00 61.72 2msp s PRO 121 Cb -0.20 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 2msp s PRO 121 CO -0.05 0.25 0.43 0.42 0.04 0.00 0.00 177.00 178.10 2msp s ILE 122 N -1.77 5.20 -0.25 0.56 1.09 -1.15 -1.00 121.20 123.88 2msp s ILE 122 Ca 0.50 0.82 -0.06 0.00 -1.10 0.00 0.00 60.65 60.81 2msp s ILE 122 Cb -0.14 -3.77 -0.01 0.00 -1.06 0.00 0.00 42.46 37.49 2msp s ILE 122 CO 0.19 0.29 0.02 -0.70 -0.10 0.00 0.00 174.94 174.64 2msp s GLU 123 N 0.98 3.35 -0.24 2.79 2.12 0.24 -4.61 118.70 123.33 2msp s GLU 123 Ca 0.22 -0.66 -0.21 0.00 0.36 0.00 0.00 54.97 54.68 2msp s GLU 123 Cb -0.15 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.02 2msp s GLU 123 CO 0.08 -0.27 0.65 0.71 -0.54 0.00 0.00 175.26 175.89 2msp s TYR 124 N 1.52 3.31 -0.31 5.30 2.02 -1.26 0.05 117.35 127.97 2msp s TYR 124 Ca 0.05 0.89 -0.10 0.00 -0.37 0.00 0.00 57.07 57.54 2msp s TYR 124 Cb -0.15 -2.86 -0.01 0.00 -0.40 0.00 0.00 41.96 38.55 2msp s TYR 124 CO 0.00 -0.30 0.16 1.21 -1.57 0.00 0.00 175.55 175.05 2msp s ASN 125 N 1.39 5.56 0.00 2.29 2.47 0.19 -4.95 114.94 121.89 2msp s ASN 125 Ca 0.28 -0.55 0.26 0.00 0.42 0.00 0.00 52.86 53.27 2msp s ASN 125 Cb -0.16 -2.00 0.65 0.00 -1.45 0.00 0.00 41.25 38.29 2msp s ASN 125 CO 0.09 -0.20 1.52 0.18 -3.72 0.00 0.00 177.10 174.96