#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 2.35 0.34 -3.33 -7.23 -1.26 -4.98 120.40 106.29 2msp s VAL 4 Ca 0.00 -0.96 -0.26 0.00 -1.81 0.00 0.00 61.98 58.95 2msp s VAL 4 Cb 0.00 -1.88 -0.13 0.00 0.56 0.00 0.00 36.38 34.93 2msp s VAL 4 CO 0.00 0.57 0.90 -0.81 -0.31 0.00 0.00 175.10 175.45 2msp n PRO 5 N 2.88 1.14 -1.67 4.82 -0.04 -1.26 -4.84 135.00 136.04 2msp n PRO 5 Ca -0.17 0.40 -0.30 0.00 -0.04 0.00 0.00 63.50 63.39 2msp n PRO 5 Cb 0.52 -1.78 0.07 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.63 2.51 0.75 0.54 0.05 -1.26 -5.01 135.00 130.95 2msp s PRO 6 Ca 0.61 0.63 -0.10 0.00 0.05 0.00 0.00 61.00 62.19 2msp s PRO 6 Cb -0.67 -1.97 0.06 0.00 0.05 0.00 0.00 34.50 31.98 2msp s PRO 6 CO 0.59 -1.32 1.11 0.20 0.05 0.00 0.00 177.00 177.62 2msp s GLY 7 N -4.04 1.62 0.54 0.56 0.00 -1.26 -5.06 107.32 99.69 2msp s GLY 7 Ca 0.59 -0.69 -0.05 0.00 0.00 0.00 0.00 44.72 44.57 2msp s GLY 7 CO 0.54 -0.25 0.84 0.51 0.00 0.00 0.00 173.10 174.74 2msp s ASP 8 N -4.52 5.81 0.29 1.64 1.47 -1.26 -4.77 116.67 115.33 2msp s ASP 8 Ca 0.61 0.72 0.11 0.00 1.18 0.00 0.00 52.55 55.17 2msp s ASP 8 Cb -0.11 -1.84 -0.05 0.00 -0.34 0.00 0.00 42.92 40.58 2msp s ASP 8 CO 0.48 -0.89 -0.16 0.27 0.68 0.00 0.00 175.17 175.55 2msp s ILE 9 N -2.87 2.34 -0.06 2.11 -4.36 -1.26 -1.65 121.20 115.45 2msp s ILE 9 Ca 0.51 -2.33 0.05 0.00 -0.26 0.00 0.00 60.65 58.63 2msp s ILE 9 Cb -0.10 -2.39 -0.02 0.00 1.25 0.00 0.00 42.46 41.20 2msp s ILE 9 CO 0.44 -0.35 -0.21 0.20 0.24 0.00 0.00 174.94 175.26 2msp s ASN 10 N -3.53 3.43 0.12 4.36 0.01 0.68 -4.87 114.94 115.14 2msp s ASN 10 Ca 0.30 -0.40 0.08 0.00 -0.71 0.00 0.00 52.86 52.14 2msp s ASN 10 Cb -0.02 -0.82 -0.04 0.00 0.41 0.00 0.00 41.25 40.78 2msp s ASN 10 CO 0.15 0.28 -0.21 0.42 -1.51 0.00 0.00 177.10 176.23 2msp s THR 11 N -0.35 1.77 -0.18 1.60 -4.23 -1.26 0.10 115.64 113.10 2msp s THR 11 Ca 0.03 -1.64 -0.02 0.00 -1.18 0.00 0.00 61.69 58.88 2msp s THR 11 Cb -0.12 -1.65 0.05 0.00 1.34 0.00 0.00 72.50 72.12 2msp s THR 11 CO 0.02 -0.11 0.01 -1.10 -0.54 0.00 0.00 174.62 172.90 2msp s GLN 12 N -2.11 0.89 1.22 3.99 -0.21 -0.88 -2.40 119.66 120.15 2msp s GLN 12 Ca 0.09 -0.43 -0.20 0.00 0.02 0.00 0.00 55.36 54.84 2msp s GLN 12 Cb -0.09 -2.00 0.31 0.00 1.00 0.00 0.00 33.01 32.24 2msp s GLN 12 CO 0.05 -0.56 0.81 -0.35 -2.12 0.00 0.00 175.29 173.12 2msp n PRO 13 N 4.99 -4.07 -1.93 2.91 -0.04 -1.26 -1.31 135.00 134.29 2msp n PRO 13 Ca -0.10 -1.34 -0.09 0.00 -0.04 0.00 0.00 63.50 61.94 2msp n PRO 13 Cb 0.47 -1.59 0.06 0.00 -0.04 0.00 0.00 33.50 32.41 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 -4.71 4.24 0.00 0.55 0.00 -1.01 -4.82 105.19 99.45 2msp n GLY 14 Ca 0.12 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.61 0.00 -1.94 1.61 7.64 -1.26 -4.98 113.62 114.09 2msp n SER 15 Ca 0.25 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.10 2msp n SER 15 Cb 0.89 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.10 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 -0.46 0.38 -3.67 1.43 2.85 -1.26 -4.27 118.16 113.16 2msp n LYS 16 Ca 0.00 -0.80 -0.09 0.00 -1.05 0.00 0.00 58.31 56.37 2msp n LYS 16 Cb 0.00 1.05 -0.10 0.00 -0.65 0.00 0.00 35.03 35.33 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 -2.45 -0.22 -0.14 0.58 -1.16 -0.37 -4.60 121.20 112.84 2msp s ILE 17 Ca 0.09 0.09 -0.06 0.00 -0.51 0.00 0.00 60.65 60.26 2msp s ILE 17 Cb -0.02 -0.71 -0.04 0.00 0.61 0.00 0.00 42.46 42.31 2msp s ILE 17 CO 0.04 0.04 0.06 -0.69 -2.81 0.00 0.00 174.94 171.58 2msp s VAL 18 N 1.81 4.83 -0.22 4.00 1.01 -1.26 -0.67 120.40 129.90 2msp s VAL 18 Ca -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 2msp s VAL 18 Cb -0.09 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 2msp s VAL 18 CO -0.14 0.54 -0.03 -0.36 0.00 0.00 0.00 175.10 175.11 2msp s PHE 19 N -0.35 2.97 -0.01 5.22 0.40 0.14 -4.95 117.98 121.41 2msp s PHE 19 Ca 0.09 -0.85 -0.14 0.00 -0.60 0.00 0.00 56.93 55.43 2msp s PHE 19 Cb -0.12 -2.12 -0.06 0.00 0.51 0.00 0.00 43.02 41.24 2msp s PHE 19 CO 0.02 -0.51 0.39 -0.80 0.70 0.00 0.00 175.22 175.02 2msp s ASN 20 N 1.46 6.78 1.14 1.36 0.01 -1.26 0.11 114.94 124.54 2msp s ASN 20 Ca 0.05 0.93 -0.16 0.00 -0.71 0.00 0.00 52.86 52.97 2msp s ASN 20 Cb -0.14 -2.24 0.26 0.00 0.41 0.00 0.00 41.25 39.53 2msp s ASN 20 CO -0.02 0.32 1.08 0.00 -1.51 0.00 0.00 177.10 176.97 2msp s ALA 21 N -1.03 0.51 0.50 0.60 0.00 0.20 -4.70 121.76 117.84 2msp s ALA 21 Ca 0.23 -0.64 -0.12 0.00 0.00 0.00 0.00 51.96 51.42 2msp s ALA 21 Cb -0.16 -3.01 -0.06 0.00 0.00 0.00 0.00 23.12 19.88 2msp s ALA 21 CO 0.13 -3.41 0.91 -1.25 0.00 0.00 0.00 175.76 172.13 2msp s PRO 22 N -5.12 3.78 -0.94 0.00 0.04 -1.26 -5.03 135.00 126.47 2msp s PRO 22 Ca 0.68 0.68 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 2msp s PRO 22 Cb -0.15 -2.23 0.33 0.00 0.04 0.00 0.00 34.50 32.49 2msp s PRO 22 CO 0.58 -0.25 1.78 0.66 0.04 0.00 0.00 177.00 179.81 2msp n TYR 23 N -1.80 2.94 -1.11 0.56 4.01 -1.26 -4.48 117.16 116.01 2msp n TYR 23 Ca 0.04 -2.64 0.09 0.00 -0.16 0.00 0.00 57.90 55.23 2msp n TYR 23 Cb 0.54 -1.11 0.17 0.00 -0.31 0.00 0.00 39.34 38.63 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 -0.19 2.56 -3.51 7.72 5.68 -1.26 -3.21 116.55 124.34 2msp n ASP 24 Ca 0.47 -3.16 -0.15 0.00 -0.50 0.00 0.00 54.79 51.45 2msp n ASP 24 Cb 0.27 -0.46 -0.05 0.00 -1.14 0.00 0.00 41.12 39.74 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 -2.74 -0.56 -0.34 -1.12 -1.08 -1.26 -4.95 116.67 104.62 2msp s ASP 25 Ca 0.35 0.47 -0.28 0.00 -0.52 0.00 0.00 52.55 52.57 2msp s ASP 25 Cb 0.30 0.48 -0.03 0.00 -1.46 0.00 0.00 42.92 42.21 2msp s ASP 25 CO 0.03 -0.61 1.98 -0.75 0.52 0.00 0.00 175.17 176.34 2msp s LYS 26 N -1.75 3.09 0.07 4.34 2.20 -1.26 -4.45 119.74 121.97 2msp s LYS 26 Ca -0.06 1.51 -0.08 0.00 -0.36 0.00 0.00 55.97 56.99 2msp s LYS 26 Cb -0.00 -4.30 -0.05 0.00 -1.51 0.00 0.00 37.83 31.96 2msp s LYS 26 CO 0.03 -2.15 0.35 -1.58 -0.36 0.00 0.00 175.35 171.64 2msp s HIS 27 N 8.00 3.56 -0.32 4.03 2.46 -0.64 -4.89 115.29 127.49 2msp s HIS 27 Ca 0.86 0.66 0.02 0.00 0.47 0.00 0.00 55.06 57.07 2msp s HIS 27 Cb -0.24 -2.06 0.10 0.00 -0.13 0.00 0.00 32.58 30.24 2msp s HIS 27 CO 0.32 0.54 0.05 0.99 -2.47 0.00 0.00 174.74 174.17 2msp s THR 28 N -1.42 1.80 0.64 0.89 2.01 -1.26 -1.21 115.64 117.10 2msp s THR 28 Ca 0.33 -1.96 0.00 0.00 0.31 0.00 0.00 61.69 60.37 2msp s THR 28 Cb -0.13 -2.31 0.08 0.00 0.01 0.00 0.00 72.50 70.15 2msp s THR 28 CO 0.19 -0.57 0.89 -0.31 -0.69 0.00 0.00 174.62 174.13 2msp s TYR 29 N 1.16 2.18 0.18 4.92 1.51 0.14 -4.88 117.35 122.56 2msp s TYR 29 Ca 0.09 -0.15 0.06 0.00 -1.01 0.00 0.00 57.07 56.05 2msp s TYR 29 Cb -0.18 -2.86 -0.05 0.00 -0.11 0.00 0.00 41.96 38.76 2msp s TYR 29 CO -0.13 -1.31 -0.12 -1.01 -1.11 0.00 0.00 175.55 171.87 2msp s HIS 30 N -2.96 1.50 0.01 2.71 3.76 -1.26 -0.53 115.29 118.52 2msp s HIS 30 Ca 0.62 -0.68 0.00 0.00 -0.15 0.00 0.00 55.06 54.86 2msp s HIS 30 Cb -0.08 -0.73 -0.01 0.00 1.11 0.00 0.00 32.58 32.87 2msp s HIS 30 CO 0.41 0.21 -0.02 0.42 -0.85 0.00 0.00 174.74 174.91 2msp s ILE 31 N -3.16 0.12 -0.25 0.60 1.01 0.13 -4.65 121.20 115.01 2msp s ILE 31 Ca 0.20 -0.43 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 2msp s ILE 31 Cb 0.01 -0.18 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 2msp s ILE 31 CO 0.04 -0.19 0.02 -0.75 0.00 0.00 0.00 174.94 174.06 2msp s LYS 32 N -0.65 3.38 -0.17 2.79 2.20 -0.43 -0.01 119.74 126.85 2msp s LYS 32 Ca -0.06 -0.64 -0.07 0.00 -0.36 0.00 0.00 55.97 54.83 2msp s LYS 32 Cb -0.05 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.04 2msp s LYS 32 CO -0.00 -0.26 0.07 0.42 -0.36 0.00 0.00 175.35 175.22 2msp s ILE 33 N 1.52 4.86 -0.06 5.43 1.01 0.20 -2.07 121.20 132.09 2msp s ILE 33 Ca 0.05 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.71 2msp s ILE 33 Cb -0.15 -3.17 0.02 0.00 0.01 0.00 0.00 42.46 39.16 2msp s ILE 33 CO 0.00 0.48 -0.10 -0.89 0.00 0.00 0.00 174.94 174.44 2msp s THR 34 N 0.15 0.93 -0.85 2.92 2.01 0.12 -0.01 115.64 120.90 2msp s THR 34 Ca 0.05 -0.36 -0.25 0.00 0.31 0.00 0.00 61.69 61.44 2msp s THR 34 Cb -0.12 -0.87 0.03 0.00 0.01 0.00 0.00 72.50 71.55 2msp s THR 34 CO 0.00 0.31 1.39 0.21 -0.69 0.00 0.00 174.62 175.84 2msp s ASN 35 N 0.71 6.24 0.34 3.53 3.84 -0.46 -0.23 114.94 128.91 2msp s ASN 35 Ca -0.13 -0.84 0.26 0.00 0.21 0.00 0.00 52.86 52.36 2msp s ASN 35 Cb -0.15 -2.56 0.91 0.00 -0.55 0.00 0.00 41.25 38.90 2msp s ASN 35 CO 0.03 -1.75 1.77 0.00 -2.79 0.00 0.00 177.10 174.36 2msp h ALA 36 N 10.13 1.00 -2.09 1.71 0.00 -1.63 0.40 119.26 128.77 2msp h ALA 36 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.42 2msp h ALA 36 Cb 1.04 0.00 0.19 0.00 0.00 0.00 0.00 17.79 19.02 2msp h ALA 36 CO 1.34 0.00 0.07 0.20 0.00 0.00 0.00 179.25 180.86 2msp s GLY 37 N -3.80 1.53 -0.09 0.00 0.00 -1.05 -4.79 107.32 99.13 2msp s GLY 37 Ca 0.06 -0.71 0.13 0.00 0.00 0.00 0.00 44.72 44.20 2msp s GLY 37 CO 0.53 0.13 0.49 0.61 0.00 0.00 0.00 173.10 174.86 2msp n GLY 38 N -0.24 -0.98 3.73 0.20 0.00 -1.26 -4.25 105.19 102.39 2msp n GLY 38 Ca 0.10 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.57 2.14 1.19 1.61 0.52 -1.26 -4.77 118.95 115.81 2msp s ARG 39 Ca -0.07 -2.17 -0.16 0.00 -0.52 0.00 0.00 55.73 52.81 2msp s ARG 39 Cb 0.07 -1.71 0.24 0.00 0.52 0.00 0.00 34.95 34.07 2msp s ARG 39 CO 0.82 -0.26 0.62 0.54 0.02 0.00 0.00 175.30 177.05 2msp n ARG 40 N -1.23 -2.43 -3.67 3.54 1.74 -1.26 -4.43 116.66 108.91 2msp n ARG 40 Ca -0.10 -0.69 -0.10 0.00 -0.77 0.00 0.00 57.85 56.19 2msp n ARG 40 Cb 0.66 -1.96 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 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 -2.31 0.05 -0.06 0.55 -4.36 -0.50 -3.43 121.20 111.15 2msp s ILE 41 Ca 0.64 -0.66 0.04 0.00 -0.26 0.00 0.00 60.65 60.40 2msp s ILE 41 Cb -0.20 -1.32 0.00 0.00 1.25 0.00 0.00 42.46 42.20 2msp s ILE 41 CO 0.65 -0.25 -0.16 -0.83 0.24 0.00 0.00 174.94 174.58 2msp s GLY 42 N -2.83 0.93 0.04 6.27 0.00 0.58 -1.48 107.32 110.83 2msp s GLY 42 Ca 0.05 -0.64 0.01 0.00 0.00 0.00 0.00 44.72 44.15 2msp s GLY 42 CO -0.09 -0.20 -0.06 0.66 0.00 0.00 0.00 173.10 173.41 2msp s TRP 43 N 0.27 0.55 0.01 1.90 1.48 0.18 -1.16 118.94 122.16 2msp s TRP 43 Ca -0.09 -0.59 -0.15 0.00 -1.06 0.00 0.00 56.10 54.20 2msp s TRP 43 Cb -0.14 -0.34 0.02 0.00 -1.16 0.00 0.00 33.47 31.85 2msp s TRP 43 CO 0.04 -0.15 0.32 0.00 -4.06 0.00 0.00 176.95 173.10 2msp s ALA 44 N -1.82 -0.78 -0.06 2.67 0.00 0.14 0.32 121.76 122.23 2msp s ALA 44 Ca -0.09 0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.10 2msp s ALA 44 Cb -0.07 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 2msp s ALA 44 CO -0.01 -0.33 0.00 0.42 0.00 0.00 0.00 175.76 175.84 2msp s ILE 45 N -1.82 4.27 -0.03 0.00 -1.09 -0.18 -0.85 121.20 121.50 2msp s ILE 45 Ca -0.10 -0.35 0.01 0.00 -2.23 0.00 0.00 60.65 57.99 2msp s ILE 45 Cb -0.03 -2.83 0.01 0.00 -1.58 0.00 0.00 42.46 38.03 2msp s ILE 45 CO 0.01 0.54 -0.05 -0.75 -1.23 0.00 0.00 174.94 173.47 2msp s LYS 46 N -1.08 0.65 0.32 2.79 2.20 0.15 -4.96 119.74 119.81 2msp s LYS 46 Ca 0.15 -0.13 0.03 0.00 -0.36 0.00 0.00 55.97 55.66 2msp s LYS 46 Cb -0.11 -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 0.29 0.25 -0.36 0.00 0.00 175.35 175.57 2msp n THR 47 N 3.61 0.00 0.15 3.43 -2.24 -1.26 0.23 114.28 118.20 2msp n THR 47 Ca -0.21 -1.22 0.03 0.00 -2.27 0.00 0.00 64.05 60.38 2msp n THR 47 Cb 0.53 -0.34 0.04 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.36 0.28 -3.12 4.28 -1.04 -1.17 -4.79 114.28 107.37 2msp n THR 48 Ca 0.01 -0.64 -0.17 0.00 -2.04 0.00 0.00 64.05 61.21 2msp n THR 48 Cb 0.36 0.95 -0.05 0.00 -1.82 0.00 0.00 70.33 69.76 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 0.25 -1.71 0.01 8.00 2.85 -1.26 -4.93 115.26 118.47 2msp n ASN 49 Ca 0.04 -2.62 0.20 0.00 -0.11 0.00 0.00 54.58 52.10 2msp n ASN 49 Cb 0.20 0.42 0.70 0.00 1.24 0.00 0.00 39.78 42.34 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 5.29 0.00 0.03 1.20 2.86 -1.87 0.61 114.93 123.06 2msp h MET 50 Ca 0.17 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2msp h MET 50 Cb 0.99 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.65 2msp h MET 50 CO 0.23 0.00 -0.01 0.00 1.06 0.00 0.00 176.91 178.19 2msp h ARG 51 N 0.00 -0.04 0.00 1.72 3.08 -2.01 -3.39 114.38 113.74 2msp h ARG 51 Ca 0.25 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.24 2msp h ARG 51 Cb 1.03 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 2msp h ARG 51 CO -0.00 0.32 -0.50 -0.09 -1.07 0.00 0.00 179.97 178.62 2msp h ARG 52 N -0.40 0.00 -7.21 0.04 2.43 -1.74 -3.47 114.38 104.03 2msp h ARG 52 Ca -0.00 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.71 2msp h ARG 52 Cb 0.37 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 29.99 2msp h ARG 52 CO 0.01 0.41 0.18 -0.51 -1.51 0.00 0.00 179.97 178.54 2msp s LEU 53 N -8.21 2.92 -0.22 3.80 1.43 0.13 -2.31 118.68 116.21 2msp s LEU 53 Ca -0.16 0.40 -0.24 0.00 -1.03 0.00 0.00 54.13 53.10 2msp s LEU 53 Cb 0.02 -3.10 0.07 0.00 0.03 0.00 0.00 46.19 43.21 2msp s LEU 53 CO 0.33 -1.49 0.67 -0.83 0.23 0.00 0.00 176.35 175.27 2msp s GLY 54 N -4.49 -0.51 0.29 -3.19 0.00 -1.08 -4.62 107.32 93.73 2msp s GLY 54 Ca 0.59 1.81 0.08 0.00 0.00 0.00 0.00 44.72 47.20 2msp s GLY 54 CO 0.44 1.53 -0.09 0.14 0.00 0.00 0.00 173.10 175.12 2msp s VAL 55 N 0.13 1.91 0.00 1.40 1.01 -1.26 -1.26 120.40 122.33 2msp s VAL 55 Ca -0.02 -2.18 0.00 0.00 0.00 0.00 0.00 61.98 59.78 2msp s VAL 55 Cb -0.04 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.87 2msp s VAL 55 CO 0.02 -0.30 0.00 -0.67 0.00 0.00 0.00 175.10 174.15 2msp n ASP 56 N -0.64 0.00 -4.81 3.32 2.03 -1.20 -4.52 116.55 110.73 2msp n ASP 56 Ca -0.05 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.92 2msp n ASP 56 Cb 0.63 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.99 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 3.85 0.00 -0.67 0.04 -1.26 -1.33 135.00 135.63 2msp s PRO 57 Ca 0.00 1.22 0.28 0.00 0.04 0.00 0.00 61.00 62.53 2msp s PRO 57 Cb 0.00 -2.11 1.05 0.00 0.04 0.00 0.00 34.50 33.47 2msp s PRO 57 CO 0.00 -0.37 1.79 -0.35 0.04 0.00 0.00 177.00 178.11 2msp n PRO 58 N -1.15 0.04 -3.56 0.56 -0.05 -1.26 -4.88 135.00 124.69 2msp n PRO 58 Ca 0.08 -0.01 -0.09 0.00 -0.05 0.00 0.00 63.50 63.44 2msp n PRO 58 Cb 0.53 -1.50 -0.04 0.00 -0.05 0.00 0.00 33.50 32.44 2msp n PRO 58 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 175.50 173.91 2msp s SER 59 N -2.97 -0.32 0.03 3.54 1.04 -1.26 -1.01 113.70 112.75 2msp s SER 59 Ca 0.14 0.22 -0.11 0.00 0.48 0.00 0.00 55.95 56.69 2msp s SER 59 Cb 0.19 0.29 0.04 0.00 0.10 0.00 0.00 66.02 66.63 2msp s SER 59 CO 0.57 -0.39 0.50 0.61 0.98 0.00 0.00 173.24 175.51 2msp n GLY 60 N 0.34 0.69 3.30 7.32 0.00 0.15 -4.92 105.19 112.08 2msp n GLY 60 Ca -0.08 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.21 2.16 -0.05 1.61 1.01 -1.26 0.48 120.40 122.14 2msp s VAL 61 Ca 0.11 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2msp s VAL 61 Cb -0.01 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.62 2msp s VAL 61 CO 0.01 0.57 -0.04 -0.76 0.00 0.00 0.00 175.10 174.88 2msp s LEU 62 N -0.31 1.29 0.00 3.92 1.02 -0.55 -4.97 118.68 119.07 2msp s LEU 62 Ca 0.01 -0.13 -0.05 0.00 0.02 0.00 0.00 54.13 53.98 2msp s LEU 62 Cb -0.13 -0.47 0.08 0.00 0.02 0.00 0.00 46.19 45.69 2msp s LEU 62 CO 0.02 -0.06 0.25 0.47 0.02 0.00 0.00 176.35 177.05 2msp n ASP 63 N 4.13 -1.45 -4.82 2.29 8.00 -1.26 -1.41 116.55 122.03 2msp n ASP 63 Ca -0.23 -0.59 -0.34 0.00 0.71 0.00 0.00 54.79 54.33 2msp n ASP 63 Cb 0.51 -0.24 -0.06 0.00 -0.02 0.00 0.00 41.12 41.30 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 -3.58 4.19 0.00 -0.24 0.04 -1.26 -3.39 135.00 130.76 2msp s PRO 64 Ca 0.17 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2msp s PRO 64 Cb -0.02 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2msp s PRO 64 CO 0.13 0.21 0.00 0.43 0.04 0.00 0.00 177.00 177.81 2msp n SER 65 N 0.03 0.00 -4.88 6.66 7.64 0.14 -4.95 113.62 118.26 2msp n SER 65 Ca 0.02 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.60 2msp n SER 65 Cb 0.52 -1.69 0.03 0.00 -1.01 0.00 0.00 64.21 62.06 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 -0.66 3.24 0.07 1.43 2.12 -1.22 -4.79 118.70 118.89 2msp s GLU 66 Ca 0.00 0.60 -0.08 0.00 0.36 0.00 0.00 54.97 55.85 2msp s GLU 66 Cb 0.00 -2.06 -0.01 0.00 0.26 0.00 0.00 34.13 32.32 2msp s GLU 66 CO 0.00 -0.79 0.16 -1.59 -0.54 0.00 0.00 175.26 172.50 2msp s LYS 67 N -5.26 0.77 0.04 4.30 -2.85 -1.26 -1.36 119.74 114.12 2msp s LYS 67 Ca 0.56 -0.91 -0.02 0.00 -1.00 0.00 0.00 55.97 54.60 2msp s LYS 67 Cb -0.11 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 2msp s LYS 67 CO 0.53 -0.22 -0.00 0.54 0.10 0.00 0.00 175.35 176.29 2msp s VAL 68 N -3.52 0.17 -0.33 1.79 0.11 0.98 -4.96 120.40 114.64 2msp s VAL 68 Ca 0.02 -1.42 0.02 0.00 -2.93 0.00 0.00 61.98 57.67 2msp s VAL 68 Cb 0.04 -1.06 0.08 0.00 -1.53 0.00 0.00 36.38 33.91 2msp s VAL 68 CO -0.09 -0.78 0.03 -0.22 -3.33 0.00 0.00 175.10 170.71 2msp s LEU 69 N -2.39 4.41 0.12 2.54 2.96 -1.26 0.59 118.68 125.66 2msp s LEU 69 Ca -0.01 -1.82 0.04 0.00 -0.22 0.00 0.00 54.13 52.12 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 0.09 0.00 -1.32 0.00 0.00 176.35 174.71 2msp s MET 70 N 1.05 2.83 -0.26 1.98 0.23 0.98 -4.77 119.30 121.34 2msp s MET 70 Ca 0.03 -0.80 -0.08 0.00 -1.03 0.00 0.00 55.69 53.81 2msp s MET 70 Cb -0.20 -2.65 -0.03 0.00 -1.53 0.00 0.00 34.83 30.41 2msp s MET 70 CO -0.06 0.52 0.10 0.00 -2.03 0.00 0.00 175.02 173.56 2msp s ALA 71 N -1.55 3.27 -0.05 3.16 0.00 -0.44 0.21 121.76 126.37 2msp s ALA 71 Ca 0.29 -1.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.01 2msp s ALA 71 Cb -0.11 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 2msp s ALA 71 CO 0.22 -0.49 0.34 0.08 0.00 0.00 0.00 175.76 175.90 2msp s VAL 72 N 1.63 5.17 0.22 0.00 1.01 0.31 -3.24 120.40 125.51 2msp s VAL 72 Ca 0.06 0.67 0.10 0.00 0.00 0.00 0.00 61.98 62.81 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 -0.11 -0.44 0.00 0.00 0.00 175.10 175.17 2msp s SER 73 N -0.87 4.10 -0.14 3.32 0.01 -0.39 0.26 113.70 120.00 2msp s SER 73 Ca 0.21 -0.72 -0.04 0.00 1.31 0.00 0.00 55.95 56.72 2msp s SER 73 Cb -0.15 -0.61 0.06 0.00 0.21 0.00 0.00 66.02 65.53 2msp s SER 73 CO 0.10 0.07 0.17 0.00 0.41 0.00 0.00 173.24 173.99 2msp s ASP 75 N 2.28 4.60 0.88 0.00 2.15 -0.98 -1.62 116.67 123.98 2msp s ASP 75 Ca 0.04 0.88 -0.10 0.00 0.43 0.00 0.00 52.55 53.80 2msp s ASP 75 Cb -0.14 -1.45 0.13 0.00 -0.30 0.00 0.00 42.92 41.16 2msp s ASP 75 CO -0.08 -1.86 1.13 0.42 -0.17 0.00 0.00 175.17 174.61 2msp s THR 76 N -3.49 2.39 0.00 1.71 -4.23 -1.26 -4.87 115.64 105.89 2msp s THR 76 Ca 0.61 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.25 2msp s THR 76 Cb -0.11 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.45 2msp s THR 76 CO 0.50 -0.16 0.00 2.22 -0.54 0.00 0.00 174.62 176.64 2msp n PHE 77 N -4.07 0.00 -3.39 3.99 -1.74 -1.20 -5.04 117.46 106.01 2msp n PHE 77 Ca 0.11 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.73 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 0.13 0.00 5.98 2.85 -1.26 -4.86 115.26 118.10 2msp n ASN 78 Ca 0.00 -2.56 0.00 0.00 -0.11 0.00 0.00 54.58 51.91 2msp n ASN 78 Cb 0.00 -0.59 0.00 0.00 1.24 0.00 0.00 39.78 40.43 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 2.37 0.02 0.08 5.20 0.00 -1.26 0.95 120.51 127.87 2msp n ALA 79 Ca 0.27 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.48 2msp n ALA 79 Cb 0.48 -0.02 -0.15 0.00 0.00 0.00 0.00 19.45 19.76 2msp n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2msp h ALA 80 N 0.04 0.07 -1.14 0.00 0.00 -2.01 -3.40 119.26 112.83 2msp h ALA 80 Ca 0.00 -1.06 -0.59 0.00 0.00 0.00 0.00 54.91 53.26 2msp h ALA 80 Cb 0.94 0.39 -0.40 0.00 0.00 0.00 0.00 17.79 18.72 2msp h ALA 80 CO 0.00 0.91 -0.52 0.25 0.00 0.00 0.00 179.25 179.89 2msp n THR 81 N -3.67 2.61 -3.95 0.00 -2.24 0.27 -5.02 114.28 102.28 2msp n THR 81 Ca -0.23 -4.47 -0.10 0.00 -2.27 0.00 0.00 64.05 56.99 2msp n THR 81 Cb 1.06 -1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 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 -3.62 1.80 0.10 -0.78 2.02 -1.23 -4.93 118.70 112.05 2msp s GLU 82 Ca 0.51 -1.33 -0.11 0.00 0.02 0.00 0.00 54.97 54.05 2msp s GLU 82 Cb 0.41 0.52 -0.06 0.00 0.10 0.00 0.00 34.13 35.11 2msp s GLU 82 CO -0.10 -0.78 0.45 0.34 0.02 0.00 0.00 175.26 175.18 2msp s ASP 83 N -3.05 6.70 0.00 -0.19 -1.08 -1.26 -4.96 116.67 112.84 2msp s ASP 83 Ca 0.20 0.89 0.00 0.00 -0.52 0.00 0.00 52.55 53.12 2msp s ASP 83 Cb -0.03 -2.21 0.00 0.00 -1.46 0.00 0.00 42.92 39.22 2msp s ASP 83 CO 0.11 0.16 0.49 0.18 0.52 0.00 0.00 175.17 176.63 2msp n LEU 84 N 0.91 0.48 -0.15 -1.34 4.32 -1.26 -4.75 117.00 115.22 2msp n LEU 84 Ca -0.07 -0.48 0.10 0.00 -0.02 0.00 0.00 56.01 55.53 2msp n LEU 84 Cb 0.52 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.24 2msp n LEU 84 CO 0.42 0.12 0.06 0.59 -1.22 0.00 0.00 177.39 177.36 2msp n ASN 85 N -0.10 1.25 -1.19 -1.43 5.03 -1.26 -4.52 115.26 113.04 2msp n ASN 85 Ca 0.00 -1.13 -0.06 0.00 0.87 0.00 0.00 54.58 54.26 2msp n ASN 85 Cb 0.35 0.83 0.16 0.00 -1.02 0.00 0.00 39.78 40.11 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 -1.01 2.92 -4.86 6.41 3.02 -1.26 -5.00 115.26 115.48 2msp n ASN 86 Ca 0.05 -3.83 -0.30 0.00 -0.03 0.00 0.00 54.58 50.47 2msp n ASN 86 Cb 0.35 -0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.92 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 -3.00 5.98 0.08 6.41 1.11 -1.26 -4.93 116.67 121.07 2msp s ASP 87 Ca 0.44 0.13 -0.17 0.00 0.18 0.00 0.00 52.55 53.13 2msp s ASP 87 Cb 0.40 -1.74 0.04 0.00 1.07 0.00 0.00 42.92 42.68 2msp s ASP 87 CO -0.02 0.16 0.41 -0.60 1.18 0.00 0.00 175.17 176.30 2msp s ARG 88 N -2.53 0.99 -0.13 8.23 3.52 -1.26 -3.02 118.95 124.74 2msp s ARG 88 Ca 0.32 -0.52 0.01 0.00 -0.13 0.00 0.00 55.73 55.42 2msp s ARG 88 Cb -0.12 0.44 0.02 0.00 -1.56 0.00 0.00 34.95 33.72 2msp s ARG 88 CO 0.25 -0.36 -0.17 0.42 -0.81 0.00 0.00 175.30 174.63 2msp s ILE 89 N -3.08 1.69 -0.20 4.11 1.01 0.72 -3.03 121.20 122.42 2msp s ILE 89 Ca -0.02 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 2msp s ILE 89 Cb 0.00 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 2msp s ILE 89 CO -0.07 0.48 0.00 0.00 0.00 0.00 0.00 174.94 175.35 2msp s ILE 91 N 0.92 2.96 -0.07 0.00 1.01 0.05 0.33 121.20 126.41 2msp s ILE 91 Ca 0.01 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.07 2msp s ILE 91 Cb -0.14 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 2msp s ILE 91 CO 0.02 0.46 -0.22 -1.61 0.00 0.00 0.00 174.94 173.59 2msp s GLU 92 N 1.42 2.69 0.09 2.79 2.02 -0.03 -0.48 118.70 127.20 2msp s GLU 92 Ca 0.05 -0.85 -0.14 0.00 0.02 0.00 0.00 54.97 54.06 2msp s GLU 92 Cb -0.14 -2.26 0.02 0.00 0.10 0.00 0.00 34.13 31.85 2msp s GLU 92 CO -0.06 0.38 0.32 1.67 0.02 0.00 0.00 175.26 177.58 2msp s TRP 93 N -0.13 -0.09 0.17 1.61 -2.14 -0.25 0.24 118.94 118.34 2msp s TRP 93 Ca -0.04 -0.19 -0.15 0.00 2.66 0.00 0.00 56.10 58.39 2msp s TRP 93 Cb -0.14 0.13 0.02 0.00 -3.10 0.00 0.00 33.47 30.38 2msp s TRP 93 CO 0.04 -0.59 0.43 -0.08 -2.66 0.00 0.00 176.95 174.09 2msp s THR 94 N -3.36 0.05 0.85 0.66 -1.32 -0.31 -1.00 115.64 111.20 2msp s THR 94 Ca 0.01 -0.92 -0.11 0.00 -1.21 0.00 0.00 61.69 59.45 2msp s THR 94 Cb 0.02 -1.58 0.10 0.00 -1.51 0.00 0.00 72.50 69.53 2msp s THR 94 CO -0.09 -0.21 1.09 0.20 -2.21 0.00 0.00 174.62 173.40 2msp s ASN 95 N -2.89 3.87 -0.18 8.08 -0.87 -1.26 -0.31 114.94 121.38 2msp s ASN 95 Ca 0.10 1.52 -0.08 0.00 -1.57 0.00 0.00 52.86 52.83 2msp s ASN 95 Cb 0.01 -2.22 -0.04 0.00 -0.02 0.00 0.00 41.25 38.98 2msp s ASN 95 CO -0.04 -2.39 0.07 0.42 -2.57 0.00 0.00 177.10 172.59 2msp s THR 96 N -2.97 4.86 0.00 1.60 -4.23 -1.22 -4.66 115.64 109.02 2msp s THR 96 Ca 0.62 -0.01 -0.36 0.00 -1.18 0.00 0.00 61.69 60.76 2msp s THR 96 Cb -0.17 -3.19 -0.18 0.00 1.34 0.00 0.00 72.50 70.29 2msp s THR 96 CO 0.56 0.46 0.97 -0.81 -0.54 0.00 0.00 174.62 175.27 2msp n PRO 97 N 3.50 0.00 -1.26 3.99 -0.04 -1.26 -4.78 135.00 135.15 2msp n PRO 97 Ca -0.17 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 62.83 2msp n PRO 97 Cb 0.52 -1.37 -0.05 0.00 -0.04 0.00 0.00 33.50 32.57 2msp n PRO 97 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2msp n ASP 98 N 1.38 -0.62 -3.41 3.54 9.92 -1.26 -2.05 116.55 124.05 2msp n ASP 98 Ca 0.18 1.00 -0.25 0.00 -0.53 0.00 0.00 54.79 55.20 2msp n ASP 98 Cb 0.08 -0.82 0.01 0.00 -0.64 0.00 0.00 41.12 39.75 2msp n ASP 98 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2msp n GLY 99 N 1.56 -0.50 2.18 0.44 0.00 -1.26 -4.97 105.19 102.64 2msp n GLY 99 Ca 0.17 0.12 -0.15 0.00 0.00 0.00 0.00 46.02 46.16 2msp n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2msp n ALA 100 N -3.77 -0.33 -2.45 4.61 0.00 -0.87 -5.11 120.51 112.59 2msp n ALA 100 Ca -0.02 -1.05 -0.22 0.00 0.00 0.00 0.00 53.44 52.15 2msp n ALA 100 Cb 0.55 0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.98 2msp n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2msp s ALA 101 N -3.44 2.44 -1.05 0.00 0.00 -1.26 -5.06 121.76 113.39 2msp s ALA 101 Ca 0.40 -1.97 -0.23 0.00 0.00 0.00 0.00 51.96 50.16 2msp s ALA 101 Cb -0.02 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.37 2msp s ALA 101 CO 0.27 -0.10 1.67 0.15 0.00 0.00 0.00 175.76 177.75 2msp s LYS 102 N -3.75 3.27 -0.30 0.00 1.02 -1.26 -4.74 119.74 113.99 2msp s LYS 102 Ca 0.31 -1.04 -0.17 0.00 0.02 0.00 0.00 55.97 55.09 2msp s LYS 102 Cb 0.05 -5.30 0.18 0.00 -0.52 0.00 0.00 37.83 32.24 2msp s LYS 102 CO 0.13 -2.70 1.14 -1.14 -0.92 0.00 0.00 175.35 171.87 2msp s GLN 103 N 5.54 0.16 0.28 1.68 0.74 -1.26 -5.05 119.66 121.76 2msp s GLN 103 Ca 0.56 0.39 -0.30 0.00 0.05 0.00 0.00 55.36 56.06 2msp s GLN 103 Cb -0.01 0.24 -0.11 0.00 1.10 0.00 0.00 33.01 34.22 2msp s GLN 103 CO -0.03 -0.06 1.62 0.12 -0.55 0.00 0.00 175.29 176.39 2msp s PHE 104 N 2.29 2.76 -0.29 1.67 5.36 -1.26 -4.98 117.98 123.52 2msp s PHE 104 Ca -0.01 0.72 0.01 0.00 -0.96 0.00 0.00 56.93 56.68 2msp s PHE 104 Cb -0.04 -4.09 0.09 0.00 -0.34 0.00 0.00 43.02 38.64 2msp s PHE 104 CO -0.16 -3.72 0.04 1.03 -1.46 0.00 0.00 175.22 170.95 2msp s ARG 105 N -0.31 1.15 0.36 10.12 0.52 -1.26 -5.01 118.95 124.51 2msp s ARG 105 Ca 0.65 -1.20 0.20 0.00 -0.52 0.00 0.00 55.73 54.85 2msp s ARG 105 Cb -0.48 -2.46 1.29 0.00 0.52 0.00 0.00 34.95 33.81 2msp s ARG 105 CO 0.46 -0.84 1.52 -2.13 0.02 0.00 0.00 175.30 174.33 2msp n ARG 106 N 4.67 -0.06 -0.28 3.54 3.00 -1.26 -0.08 116.66 126.19 2msp n ARG 106 Ca -0.04 1.33 0.09 0.00 -0.00 0.00 0.00 57.85 59.24 2msp n ARG 106 Cb 0.43 -2.39 0.22 0.00 0.00 0.00 0.00 32.46 30.72 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 0.14 -1.92 -0.14 3.07 -2.00 0.38 114.58 114.12 2msp h GLU 107 Ca 0.81 -0.01 0.56 0.00 -0.50 0.00 0.00 59.36 60.22 2msp h GLU 107 Cb 2.14 -0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 29.94 2msp h GLU 107 CO -0.75 0.09 1.38 -1.49 -1.40 0.00 0.00 179.01 176.85 2msp h TRP 108 N 0.14 0.00 0.06 4.33 6.55 -0.91 0.51 115.95 126.64 2msp h TRP 108 Ca 0.49 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 60.15 2msp h TRP 108 Cb 0.93 -0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.22 2msp h TRP 108 CO -0.36 -0.00 -0.91 0.74 -1.05 0.00 0.00 178.44 176.85 2msp h PHE 109 N 0.00 0.24 -0.97 0.49 -1.00 -1.11 -3.35 116.94 111.23 2msp h PHE 109 Ca 0.91 -0.17 0.16 0.00 2.81 0.00 0.00 57.97 61.68 2msp h PHE 109 Cb 3.67 -0.01 -0.10 0.00 3.61 0.00 0.00 35.95 43.12 2msp h PHE 109 CO -0.00 1.36 0.58 1.96 -1.61 0.00 0.00 178.31 180.60 2msp h GLN 110 N -0.66 0.78 -6.79 1.51 4.20 -0.01 -3.45 115.11 110.68 2msp h GLN 110 Ca -0.21 -0.05 -0.36 0.00 0.06 0.00 0.00 58.65 58.10 2msp h GLN 110 Cb 1.44 -0.18 0.20 0.00 0.30 0.00 0.00 27.48 29.24 2msp h GLN 110 CO -0.01 0.51 -0.21 0.41 -0.67 0.00 0.00 178.83 178.87 2msp n GLY 111 N -1.33 -3.28 3.72 3.46 0.00 -0.63 -4.95 105.19 102.17 2msp n GLY 111 Ca 0.21 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.69 7.06 0.00 1.61 1.01 -1.26 -4.92 116.67 117.48 2msp s ASP 112 Ca 0.61 2.10 0.00 0.00 0.71 0.00 0.00 52.55 55.98 2msp s ASP 112 Cb -0.14 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.21 2msp s ASP 112 CO 0.55 -0.46 0.00 0.61 0.21 0.00 0.00 175.17 176.08 2msp n GLY 113 N 2.97 0.08 3.62 0.21 0.00 -1.26 -4.68 105.19 106.13 2msp n GLY 113 Ca 0.08 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.00 2.78 -0.05 1.61 -1.94 -1.26 -4.91 119.30 113.52 2msp s MET 114 Ca 0.00 -0.54 0.01 0.00 -1.71 0.00 0.00 55.69 53.45 2msp s MET 114 Cb 0.00 -2.63 0.02 0.00 2.01 0.00 0.00 34.83 34.23 2msp s MET 114 CO 0.00 0.66 -0.05 0.08 -0.01 0.00 0.00 175.02 175.70 2msp s VAL 115 N -0.87 0.63 0.02 -6.03 1.01 -1.26 -4.67 120.40 109.22 2msp s VAL 115 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 2msp s VAL 115 Cb -0.11 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 2msp s VAL 115 CO 0.03 0.25 0.19 -0.60 0.00 0.00 0.00 175.10 174.98 2msp s ARG 116 N 1.04 3.43 0.22 2.72 3.52 -0.17 -4.97 118.95 124.74 2msp s ARG 116 Ca -0.09 -0.38 0.05 0.00 -0.13 0.00 0.00 55.73 55.18 2msp s ARG 116 Cb -0.14 -3.07 -0.05 0.00 -1.56 0.00 0.00 34.95 30.13 2msp s ARG 116 CO -0.00 0.65 -0.05 1.03 -0.81 0.00 0.00 175.30 176.11 2msp s ARG 117 N -2.18 1.32 -0.18 5.12 0.52 -1.26 -1.09 118.95 121.20 2msp s ARG 117 Ca 0.30 -1.64 -0.11 0.00 -0.52 0.00 0.00 55.73 53.77 2msp s ARG 117 Cb -0.13 -0.78 0.06 0.00 0.52 0.00 0.00 34.95 34.62 2msp s ARG 117 CO 0.23 0.00 0.44 0.21 0.02 0.00 0.00 175.30 176.19 2msp s LYS 118 N -3.79 0.44 -0.14 3.54 2.20 0.37 -4.99 119.74 117.37 2msp s LYS 118 Ca 0.25 0.79 -0.04 0.00 -0.36 0.00 0.00 55.97 56.61 2msp s LYS 118 Cb 0.04 0.04 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 2msp s LYS 118 CO 0.07 -0.14 0.01 -0.80 -0.36 0.00 0.00 175.35 174.14 2msp s ASN 119 N 1.19 5.27 -0.30 1.43 0.01 -1.26 -0.77 114.94 120.52 2msp s ASN 119 Ca -0.08 0.05 0.03 0.00 -0.71 0.00 0.00 52.86 52.15 2msp s ASN 119 Cb -0.07 -1.76 0.07 0.00 0.41 0.00 0.00 41.25 39.90 2msp s ASN 119 CO -0.11 0.24 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.93 2msp s LEU 120 N -0.07 3.99 0.30 0.60 1.43 0.34 -4.84 118.68 120.43 2msp s LEU 120 Ca 0.04 -1.65 -0.19 0.00 -1.03 0.00 0.00 54.13 51.30 2msp s LEU 120 Cb -0.13 -1.60 -0.09 0.00 0.03 0.00 0.00 46.19 44.40 2msp s LEU 120 CO 0.02 -0.27 0.79 -2.16 0.23 0.00 0.00 176.35 174.95 2msp s PRO 121 N 1.05 4.22 -0.17 1.29 0.04 -1.26 0.26 135.00 140.43 2msp s PRO 121 Ca -0.02 0.90 -0.17 0.00 0.04 0.00 0.00 61.00 61.76 2msp s PRO 121 Cb -0.20 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 2msp s PRO 121 CO -0.05 0.24 0.44 0.42 0.04 0.00 0.00 177.00 178.09 2msp s ILE 122 N -1.77 5.19 -0.24 0.56 1.09 -1.17 -1.24 121.20 123.62 2msp s ILE 122 Ca 0.50 0.83 -0.05 0.00 -1.10 0.00 0.00 60.65 60.83 2msp s ILE 122 Cb -0.14 -3.77 -0.01 0.00 -1.06 0.00 0.00 42.46 37.48 2msp s ILE 122 CO 0.19 0.28 0.01 -0.70 -0.10 0.00 0.00 174.94 174.61 2msp s GLU 123 N 1.04 3.42 -0.25 2.79 2.12 0.15 -4.61 118.70 123.36 2msp s GLU 123 Ca 0.22 -0.61 -0.20 0.00 0.36 0.00 0.00 54.97 54.74 2msp s GLU 123 Cb -0.15 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.07 2msp s GLU 123 CO 0.09 -0.23 0.63 0.71 -0.54 0.00 0.00 175.26 175.92 2msp s TYR 124 N 1.52 3.29 -0.32 5.30 2.02 -1.26 0.28 117.35 128.17 2msp s TYR 124 Ca 0.05 0.82 -0.10 0.00 -0.37 0.00 0.00 57.07 57.48 2msp s TYR 124 Cb -0.15 -2.84 -0.01 0.00 -0.40 0.00 0.00 41.96 38.56 2msp s TYR 124 CO -0.01 -0.32 0.17 1.21 -1.57 0.00 0.00 175.55 175.04 2msp s ASN 125 N 1.45 5.67 0.00 2.29 2.47 0.30 -4.95 114.94 122.18 2msp s ASN 125 Ca 0.26 -0.51 0.26 0.00 0.42 0.00 0.00 52.86 53.29 2msp s ASN 125 Cb -0.15 -2.03 0.52 0.00 -1.45 0.00 0.00 41.25 38.13 2msp s ASN 125 CO 0.09 -0.21 1.44 0.18 -3.72 0.00 0.00 177.10 174.88