#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 2.31 0.33 -3.33 -7.23 -1.26 -5.00 120.40 106.21 2msp s VAL 4 Ca 0.00 -0.98 -0.27 0.00 -1.81 0.00 0.00 61.98 58.93 2msp s VAL 4 Cb 0.00 -1.86 -0.13 0.00 0.56 0.00 0.00 36.38 34.95 2msp s VAL 4 CO 0.00 0.57 0.93 -0.81 -0.31 0.00 0.00 175.10 175.48 2msp n PRO 5 N 2.89 1.19 -1.68 4.82 -0.04 -1.26 -4.87 135.00 136.04 2msp n PRO 5 Ca -0.17 0.42 -0.30 0.00 -0.04 0.00 0.00 63.50 63.40 2msp n PRO 5 Cb 0.52 -1.80 0.06 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.62 2.68 0.74 0.54 0.05 -1.26 -5.03 135.00 131.09 2msp s PRO 6 Ca 0.60 0.68 -0.10 0.00 0.05 0.00 0.00 61.00 62.24 2msp s PRO 6 Cb -0.67 -1.98 0.06 0.00 0.05 0.00 0.00 34.50 31.95 2msp s PRO 6 CO 0.59 -1.21 1.09 0.20 0.05 0.00 0.00 177.00 177.71 2msp s GLY 7 N -4.03 1.63 0.56 0.56 0.00 -1.26 -5.06 107.32 99.72 2msp s GLY 7 Ca 0.59 -0.69 -0.06 0.00 0.00 0.00 0.00 44.72 44.55 2msp s GLY 7 CO 0.54 -0.27 0.88 0.51 0.00 0.00 0.00 173.10 174.76 2msp s ASP 8 N -4.50 5.90 0.30 1.64 1.47 -1.26 -4.77 116.67 115.45 2msp s ASP 8 Ca 0.60 0.89 0.11 0.00 1.18 0.00 0.00 52.55 55.33 2msp s ASP 8 Cb -0.11 -2.00 -0.05 0.00 -0.34 0.00 0.00 42.92 40.42 2msp s ASP 8 CO 0.48 -0.88 -0.17 0.27 0.68 0.00 0.00 175.17 175.55 2msp s ILE 9 N -2.94 2.41 -0.04 2.11 -4.36 -1.26 -1.73 121.20 115.39 2msp s ILE 9 Ca 0.52 -2.35 0.06 0.00 -0.26 0.00 0.00 60.65 58.61 2msp s ILE 9 Cb -0.11 -2.39 -0.02 0.00 1.25 0.00 0.00 42.46 41.19 2msp s ILE 9 CO 0.46 -0.35 -0.21 0.20 0.24 0.00 0.00 174.94 175.29 2msp s ASN 10 N -3.54 3.49 0.10 4.36 0.01 0.61 -4.87 114.94 115.10 2msp s ASN 10 Ca 0.31 -0.36 0.08 0.00 -0.71 0.00 0.00 52.86 52.18 2msp s ASN 10 Cb -0.03 -0.68 -0.03 0.00 0.41 0.00 0.00 41.25 40.91 2msp s ASN 10 CO 0.15 0.31 -0.21 0.42 -1.51 0.00 0.00 177.10 176.27 2msp s THR 11 N -0.54 1.69 -0.18 1.60 -4.23 -1.26 0.08 115.64 112.80 2msp s THR 11 Ca 0.07 -1.55 -0.02 0.00 -1.18 0.00 0.00 61.69 59.01 2msp s THR 11 Cb -0.11 -1.55 0.05 0.00 1.34 0.00 0.00 72.50 72.23 2msp s THR 11 CO 0.01 -0.08 0.01 -1.10 -0.54 0.00 0.00 174.62 172.92 2msp s GLN 12 N -1.94 0.88 1.41 3.99 -0.21 -0.85 -2.60 119.66 120.34 2msp s GLN 12 Ca 0.06 -0.46 -0.24 0.00 0.02 0.00 0.00 55.36 54.75 2msp s GLN 12 Cb -0.10 -2.06 0.36 0.00 1.00 0.00 0.00 33.01 32.22 2msp s GLN 12 CO 0.04 -0.58 0.95 -0.35 -2.12 0.00 0.00 175.29 173.24 2msp n PRO 13 N 4.99 -4.39 -1.58 2.91 -0.04 -1.26 -1.22 135.00 134.40 2msp n PRO 13 Ca -0.10 -1.57 -0.05 0.00 -0.04 0.00 0.00 63.50 61.74 2msp n PRO 13 Cb 0.47 -1.84 0.09 0.00 -0.04 0.00 0.00 33.50 32.18 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 -5.55 4.24 0.00 0.55 0.00 -1.07 -4.81 105.19 98.55 2msp n GLY 14 Ca 0.14 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.09 1.61 7.64 -1.26 -4.97 113.62 113.93 2msp n SER 15 Ca 0.23 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.08 2msp n SER 15 Cb 0.88 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.09 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 -0.43 0.39 -3.68 1.43 2.85 -1.26 -4.29 118.16 113.17 2msp n LYS 16 Ca 0.00 -0.84 -0.09 0.00 -1.05 0.00 0.00 58.31 56.33 2msp n LYS 16 Cb 0.00 1.11 -0.10 0.00 -0.65 0.00 0.00 35.03 35.39 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 -2.37 -0.21 -0.13 0.58 -1.16 -0.48 -4.61 121.20 112.82 2msp s ILE 17 Ca 0.11 0.09 -0.05 0.00 -0.51 0.00 0.00 60.65 60.28 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 0.05 -0.69 -2.81 0.00 0.00 174.94 171.57 2msp s VAL 18 N 1.79 4.75 -0.23 4.00 1.01 -1.26 -0.12 120.40 130.34 2msp s VAL 18 Ca -0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 2msp s VAL 18 Cb -0.09 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 2msp s VAL 18 CO -0.14 0.55 -0.00 -0.36 0.00 0.00 0.00 175.10 175.14 2msp s PHE 19 N -0.37 3.01 -0.01 5.22 0.40 0.13 -4.95 117.98 121.40 2msp s PHE 19 Ca 0.09 -0.75 -0.13 0.00 -0.60 0.00 0.00 56.93 55.53 2msp s PHE 19 Cb -0.12 -2.15 -0.05 0.00 0.51 0.00 0.00 43.02 41.20 2msp s PHE 19 CO 0.02 -0.48 0.37 -0.80 0.70 0.00 0.00 175.22 175.02 2msp s ASN 20 N 1.53 6.74 1.13 1.36 0.01 -1.26 0.81 114.94 125.25 2msp s ASN 20 Ca 0.06 0.88 -0.16 0.00 -0.71 0.00 0.00 52.86 52.93 2msp s ASN 20 Cb -0.15 -2.22 0.25 0.00 0.41 0.00 0.00 41.25 39.55 2msp s ASN 20 CO -0.01 0.33 1.09 0.00 -1.51 0.00 0.00 177.10 177.00 2msp s ALA 21 N -1.09 0.59 0.48 0.60 0.00 0.44 -4.70 121.76 118.09 2msp s ALA 21 Ca 0.23 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.40 2msp s ALA 21 Cb -0.16 -3.00 -0.06 0.00 0.00 0.00 0.00 23.12 19.90 2msp s ALA 21 CO 0.12 -3.37 0.89 -1.25 0.00 0.00 0.00 175.76 172.15 2msp s PRO 22 N -5.15 3.80 -0.97 0.00 0.04 -1.26 -5.04 135.00 126.41 2msp s PRO 22 Ca 0.68 0.67 -0.00 0.00 0.04 0.00 0.00 61.00 62.39 2msp s PRO 22 Cb -0.14 -2.25 0.32 0.00 0.04 0.00 0.00 34.50 32.47 2msp s PRO 22 CO 0.57 -0.21 1.72 0.66 0.04 0.00 0.00 177.00 179.78 2msp n TYR 23 N -1.67 2.94 -1.10 0.56 4.01 -1.26 -4.53 117.16 116.11 2msp n TYR 23 Ca 0.04 -2.75 0.10 0.00 -0.16 0.00 0.00 57.90 55.13 2msp n TYR 23 Cb 0.54 -1.11 0.15 0.00 -0.31 0.00 0.00 39.34 38.61 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 -0.08 2.39 -3.52 7.72 5.68 -1.26 -3.16 116.55 124.31 2msp n ASP 24 Ca 0.45 -3.14 -0.09 0.00 -0.50 0.00 0.00 54.79 51.51 2msp n ASP 24 Cb 0.28 -0.44 -0.02 0.00 -1.14 0.00 0.00 41.12 39.79 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 -2.85 -0.42 -0.40 -1.12 -1.08 -1.26 -4.89 116.67 104.64 2msp s ASP 25 Ca 0.33 -0.09 -0.28 0.00 -0.52 0.00 0.00 52.55 51.99 2msp s ASP 25 Cb 0.29 0.51 -0.01 0.00 -1.46 0.00 0.00 42.92 42.25 2msp s ASP 25 CO 0.03 -0.85 1.66 -0.75 0.52 0.00 0.00 175.17 175.78 2msp s LYS 26 N -3.45 3.32 0.08 4.34 2.20 -1.26 -4.35 119.74 120.61 2msp s LYS 26 Ca 0.05 1.12 -0.07 0.00 -0.36 0.00 0.00 55.97 56.70 2msp s LYS 26 Cb -0.01 -4.16 -0.05 0.00 -1.51 0.00 0.00 37.83 32.09 2msp s LYS 26 CO -0.08 -1.88 0.35 -1.58 -0.36 0.00 0.00 175.35 171.80 2msp s HIS 27 N 6.65 3.55 -0.31 4.03 2.46 -0.65 -4.90 115.29 126.12 2msp s HIS 27 Ca 0.71 0.64 0.02 0.00 0.47 0.00 0.00 55.06 56.90 2msp s HIS 27 Cb -0.18 -2.05 0.09 0.00 -0.13 0.00 0.00 32.58 30.32 2msp s HIS 27 CO 0.31 0.52 0.04 0.99 -2.47 0.00 0.00 174.74 174.14 2msp s THR 28 N -1.45 1.75 0.64 0.89 2.01 -1.26 -1.19 115.64 117.02 2msp s THR 28 Ca 0.34 -1.88 -0.00 0.00 0.31 0.00 0.00 61.69 60.46 2msp s THR 28 Cb -0.13 -2.24 0.08 0.00 0.01 0.00 0.00 72.50 70.22 2msp s THR 28 CO 0.20 -0.53 0.89 -0.31 -0.69 0.00 0.00 174.62 174.18 2msp s TYR 29 N 1.19 2.28 0.18 4.92 1.51 0.17 -4.88 117.35 122.71 2msp s TYR 29 Ca 0.07 -0.11 0.06 0.00 -1.01 0.00 0.00 57.07 56.09 2msp s TYR 29 Cb -0.18 -2.88 -0.04 0.00 -0.11 0.00 0.00 41.96 38.74 2msp s TYR 29 CO -0.13 -1.29 -0.13 -1.01 -1.11 0.00 0.00 175.55 171.88 2msp s HIS 30 N -2.96 1.54 0.01 2.71 3.76 -1.26 -0.77 115.29 118.31 2msp s HIS 30 Ca 0.62 -0.63 0.01 0.00 -0.15 0.00 0.00 55.06 54.90 2msp s HIS 30 Cb -0.08 -0.74 -0.01 0.00 1.11 0.00 0.00 32.58 32.86 2msp s HIS 30 CO 0.41 0.25 -0.03 0.42 -0.85 0.00 0.00 174.74 174.94 2msp s ILE 31 N -2.98 0.20 -0.25 0.60 1.01 0.10 -4.64 121.20 115.23 2msp s ILE 31 Ca 0.19 -0.36 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 2msp s ILE 31 Cb -0.00 -0.22 -0.01 0.00 0.01 0.00 0.00 42.46 42.24 2msp s ILE 31 CO 0.04 -0.11 0.03 -0.75 0.00 0.00 0.00 174.94 174.15 2msp s LYS 32 N -0.50 3.32 -0.18 2.79 2.20 -0.36 -0.50 119.74 126.51 2msp s LYS 32 Ca -0.04 -0.69 -0.08 0.00 -0.36 0.00 0.00 55.97 54.81 2msp s LYS 32 Cb -0.04 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 2msp s LYS 32 CO -0.00 -0.29 0.08 0.42 -0.36 0.00 0.00 175.35 175.20 2msp s ILE 33 N 1.51 4.99 -0.06 5.43 1.01 0.17 -2.02 121.20 132.24 2msp s ILE 33 Ca 0.04 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.75 2msp s ILE 33 Cb -0.16 -3.24 0.02 0.00 0.01 0.00 0.00 42.46 39.09 2msp s ILE 33 CO 0.00 0.48 -0.09 -0.89 0.00 0.00 0.00 174.94 174.45 2msp s THR 34 N 0.16 0.86 -0.86 2.92 2.01 0.11 0.05 115.64 120.89 2msp s THR 34 Ca 0.06 -0.31 -0.25 0.00 0.31 0.00 0.00 61.69 61.50 2msp s THR 34 Cb -0.12 -0.82 0.03 0.00 0.01 0.00 0.00 72.50 71.59 2msp s THR 34 CO 0.00 0.30 1.48 0.21 -0.69 0.00 0.00 174.62 175.92 2msp s ASN 35 N 0.80 6.11 0.29 3.53 3.84 -0.47 -0.28 114.94 128.75 2msp s ASN 35 Ca -0.13 -0.82 0.26 0.00 0.21 0.00 0.00 52.86 52.38 2msp s ASN 35 Cb -0.15 -2.56 0.89 0.00 -0.55 0.00 0.00 41.25 38.88 2msp s ASN 35 CO 0.02 -1.85 1.76 0.00 -2.79 0.00 0.00 177.10 174.24 2msp h ALA 36 N 10.55 1.00 -2.05 1.71 0.00 -1.66 0.37 119.26 129.17 2msp h ALA 36 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.46 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 1.33 0.00 0.08 0.20 0.00 0.00 0.00 179.25 180.86 2msp s GLY 37 N -3.69 1.54 -0.07 0.00 0.00 -1.07 -4.79 107.32 99.24 2msp s GLY 37 Ca 0.07 -0.81 0.15 0.00 0.00 0.00 0.00 44.72 44.12 2msp s GLY 37 CO 0.52 0.06 0.52 0.61 0.00 0.00 0.00 173.10 174.81 2msp n GLY 38 N -0.42 -1.02 3.79 0.20 0.00 -1.26 -4.24 105.19 102.25 2msp n GLY 38 Ca 0.11 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.62 2.35 1.22 1.61 0.52 -1.26 -4.76 118.95 116.01 2msp s ARG 39 Ca -0.06 -1.71 -0.16 0.00 -0.52 0.00 0.00 55.73 53.28 2msp s ARG 39 Cb 0.08 -2.14 0.28 0.00 0.52 0.00 0.00 34.95 33.69 2msp s ARG 39 CO 0.83 -0.13 0.78 0.54 0.02 0.00 0.00 175.30 177.34 2msp n ARG 40 N -1.35 -2.78 -3.67 3.54 1.74 -1.26 -4.35 116.66 108.54 2msp n ARG 40 Ca 0.00 -0.79 -0.11 0.00 -0.77 0.00 0.00 57.85 56.18 2msp n ARG 40 Cb 0.63 -2.02 -0.05 0.00 -1.02 0.00 0.00 32.46 30.00 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 0.08 -0.07 0.55 -4.36 -0.45 -3.65 121.20 110.99 2msp s ILE 41 Ca 0.65 -0.63 0.04 0.00 -0.26 0.00 0.00 60.65 60.46 2msp s ILE 41 Cb -0.21 -1.14 -0.00 0.00 1.25 0.00 0.00 42.46 42.36 2msp s ILE 41 CO 0.64 -0.35 -0.20 -0.83 0.24 0.00 0.00 174.94 174.44 2msp s GLY 42 N -2.65 1.11 0.05 6.27 0.00 0.24 -1.43 107.32 110.90 2msp s GLY 42 Ca 0.01 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 43.94 2msp s GLY 42 CO -0.10 -0.32 -0.07 0.66 0.00 0.00 0.00 173.10 173.27 2msp s TRP 43 N 0.21 0.61 -0.01 1.90 1.48 0.23 -0.59 118.94 122.78 2msp s TRP 43 Ca -0.11 -0.58 -0.14 0.00 -1.06 0.00 0.00 56.10 54.21 2msp s TRP 43 Cb -0.15 -0.37 0.02 0.00 -1.16 0.00 0.00 33.47 31.81 2msp s TRP 43 CO 0.05 -0.13 0.29 0.00 -4.06 0.00 0.00 176.95 173.10 2msp s ALA 44 N -1.79 -0.72 -0.09 2.67 0.00 0.45 0.45 121.76 122.73 2msp s ALA 44 Ca -0.08 0.24 -0.02 0.00 0.00 0.00 0.00 51.96 52.10 2msp s ALA 44 Cb -0.07 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 2msp s ALA 44 CO -0.01 -0.27 0.02 0.42 0.00 0.00 0.00 175.76 175.91 2msp s ILE 45 N -1.47 4.43 -0.03 0.00 -1.09 0.06 -0.03 121.20 123.08 2msp s ILE 45 Ca -0.13 -0.20 0.02 0.00 -2.23 0.00 0.00 60.65 58.11 2msp s ILE 45 Cb -0.05 -2.87 0.01 0.00 -1.58 0.00 0.00 42.46 37.97 2msp s ILE 45 CO 0.03 0.61 -0.06 -0.75 -1.23 0.00 0.00 174.94 173.54 2msp s LYS 46 N -0.89 0.74 0.32 2.79 2.20 0.17 -4.95 119.74 120.14 2msp s LYS 46 Ca 0.13 -0.17 0.03 0.00 -0.36 0.00 0.00 55.97 55.60 2msp s LYS 46 Cb -0.11 -0.73 0.03 0.00 -1.51 0.00 0.00 37.83 35.51 2msp s LYS 46 CO 0.02 0.02 0.26 0.25 -0.36 0.00 0.00 175.35 175.55 2msp n THR 47 N 3.56 0.00 0.19 3.43 -2.24 -1.26 0.28 114.28 118.23 2msp n THR 47 Ca -0.21 -1.26 0.03 0.00 -2.27 0.00 0.00 64.05 60.34 2msp n THR 47 Cb 0.53 -0.27 0.04 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.30 0.22 -3.13 4.28 -1.04 -1.18 -4.78 114.28 107.34 2msp n THR 48 Ca -0.00 -0.61 -0.18 0.00 -2.04 0.00 0.00 64.05 61.22 2msp n THR 48 Cb 0.37 0.99 -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 -1.64 0.01 8.00 2.85 -1.26 -4.93 115.26 118.59 2msp n ASN 49 Ca 0.04 -2.61 0.20 0.00 -0.11 0.00 0.00 54.58 52.11 2msp n ASN 49 Cb 0.20 0.36 0.70 0.00 1.24 0.00 0.00 39.78 42.28 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 5.30 0.00 0.03 1.20 2.86 -1.86 0.63 114.93 123.09 2msp h MET 50 Ca 0.18 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 0.24 0.00 -0.02 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 -3.40 114.38 113.73 2msp h ARG 51 Ca 0.24 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.20 2msp h ARG 51 Cb 0.99 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 2msp h ARG 51 CO -0.00 0.31 -0.66 -0.09 -1.07 0.00 0.00 179.97 178.46 2msp h ARG 52 N -0.40 0.00 -7.17 0.04 2.43 -1.76 -3.47 114.38 104.06 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 0.57 0.15 -0.51 -1.51 0.00 0.00 179.97 178.68 2msp s LEU 53 N -8.13 2.94 -0.24 3.80 1.43 0.14 -2.19 118.68 116.43 2msp s LEU 53 Ca -0.19 0.32 -0.25 0.00 -1.03 0.00 0.00 54.13 52.98 2msp s LEU 53 Cb 0.02 -3.04 0.07 0.00 0.03 0.00 0.00 46.19 43.28 2msp s LEU 53 CO 0.42 -1.47 0.69 -0.83 0.23 0.00 0.00 176.35 175.39 2msp s GLY 54 N -4.49 -0.52 0.29 -3.19 0.00 -1.11 -4.62 107.32 93.68 2msp s GLY 54 Ca 0.59 1.91 0.08 0.00 0.00 0.00 0.00 44.72 47.30 2msp s GLY 54 CO 0.43 1.63 -0.09 0.14 0.00 0.00 0.00 173.10 175.21 2msp s VAL 55 N 0.24 1.90 0.00 1.40 1.01 -1.26 -1.47 120.40 122.21 2msp s VAL 55 Ca -0.01 -2.18 0.00 0.00 0.00 0.00 0.00 61.98 59.79 2msp s VAL 55 Cb -0.04 -2.46 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 0.00 175.10 174.14 2msp n ASP 56 N -0.63 0.00 -4.82 3.32 2.03 -1.20 -4.54 116.55 110.71 2msp n ASP 56 Ca -0.05 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.93 2msp n ASP 56 Cb 0.63 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.00 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 3.83 0.00 -0.67 0.04 -1.26 -0.97 135.00 135.97 2msp s PRO 57 Ca 0.00 1.10 0.28 0.00 0.04 0.00 0.00 61.00 62.42 2msp s PRO 57 Cb 0.00 -2.11 0.98 0.00 0.04 0.00 0.00 34.50 33.41 2msp s PRO 57 CO 0.00 -0.38 1.74 -2.30 0.04 0.00 0.00 177.00 176.11 2msp n PRO 58 N -1.43 0.04 -3.57 0.56 -0.02 -1.26 -4.87 135.00 124.45 2msp n PRO 58 Ca 0.08 -0.01 -0.09 0.00 -2.02 0.00 0.00 63.50 61.46 2msp n PRO 58 Cb 0.54 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.48 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 -2.96 -0.31 0.05 2.55 1.04 -1.26 -0.76 113.70 112.04 2msp s SER 59 Ca 0.14 0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.68 2msp s SER 59 Cb 0.19 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.63 2msp s SER 59 CO 0.59 -0.37 0.57 0.61 0.98 0.00 0.00 173.24 175.62 2msp n GLY 60 N 0.38 0.73 3.27 7.32 0.00 0.17 -4.91 105.19 112.16 2msp n GLY 60 Ca -0.08 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 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 2.07 -0.05 1.61 1.01 -1.26 0.76 120.40 122.33 2msp s VAL 61 Ca 0.13 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2msp s VAL 61 Cb -0.01 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.65 2msp s VAL 61 CO 0.01 0.57 -0.06 -0.76 0.00 0.00 0.00 175.10 174.87 2msp s LEU 62 N -0.20 1.35 0.00 3.92 1.02 -0.52 -4.97 118.68 119.29 2msp s LEU 62 Ca -0.02 -0.16 -0.04 0.00 0.02 0.00 0.00 54.13 53.92 2msp s LEU 62 Cb -0.13 -0.53 0.06 0.00 0.02 0.00 0.00 46.19 45.61 2msp s LEU 62 CO 0.03 -0.05 0.22 0.47 0.02 0.00 0.00 176.35 177.05 2msp n ASP 63 N 4.08 -1.34 -4.83 2.29 8.00 -1.26 -1.34 116.55 122.15 2msp n ASP 63 Ca -0.23 -0.60 -0.34 0.00 0.71 0.00 0.00 54.79 54.33 2msp n ASP 63 Cb 0.51 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 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 -3.51 4.19 0.00 -0.24 0.04 -1.26 -3.39 135.00 130.82 2msp s PRO 64 Ca 0.15 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2msp s PRO 64 Cb -0.02 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.98 2msp s PRO 64 CO 0.11 0.20 0.00 0.43 0.04 0.00 0.00 177.00 177.78 2msp n SER 65 N -0.02 0.00 -4.87 6.66 7.64 0.13 -4.96 113.62 118.20 2msp n SER 65 Ca 0.03 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.60 2msp n SER 65 Cb 0.52 -1.62 0.03 0.00 -1.01 0.00 0.00 64.21 62.14 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 -0.60 3.16 0.07 1.43 2.12 -1.22 -4.79 118.70 118.86 2msp s GLU 66 Ca 0.00 0.60 -0.09 0.00 0.36 0.00 0.00 54.97 55.84 2msp s GLU 66 Cb 0.00 -2.04 0.00 0.00 0.26 0.00 0.00 34.13 32.35 2msp s GLU 66 CO 0.00 -0.85 0.19 -1.59 -0.54 0.00 0.00 175.26 172.47 2msp s LYS 67 N -5.27 0.78 0.04 4.30 -2.85 -1.26 -1.36 119.74 114.12 2msp s LYS 67 Ca 0.57 -0.82 -0.02 0.00 -1.00 0.00 0.00 55.97 54.70 2msp s LYS 67 Cb -0.11 0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 35.95 2msp s LYS 67 CO 0.53 -0.24 -0.00 0.54 0.10 0.00 0.00 175.35 176.28 2msp s VAL 68 N -3.33 0.17 -0.32 1.79 0.11 0.11 -4.97 120.40 113.96 2msp s VAL 68 Ca 0.01 -1.39 0.02 0.00 -2.93 0.00 0.00 61.98 57.68 2msp s VAL 68 Cb 0.02 -1.02 0.08 0.00 -1.53 0.00 0.00 36.38 33.93 2msp s VAL 68 CO -0.08 -0.77 0.01 -0.22 -3.33 0.00 0.00 175.10 170.71 2msp s LEU 69 N -2.33 4.28 0.13 2.54 2.96 -1.26 0.45 118.68 125.44 2msp s LEU 69 Ca -0.02 -1.75 0.04 0.00 -0.22 0.00 0.00 54.13 52.19 2msp s LEU 69 Cb 0.01 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 2msp s LEU 69 CO -0.06 -0.32 0.09 0.00 -1.32 0.00 0.00 176.35 174.73 2msp s MET 70 N 1.06 2.81 -0.25 1.98 0.23 0.34 -4.77 119.30 120.70 2msp s MET 70 Ca 0.02 -0.82 -0.08 0.00 -1.03 0.00 0.00 55.69 53.77 2msp s MET 70 Cb -0.20 -2.64 -0.03 0.00 -1.53 0.00 0.00 34.83 30.43 2msp s MET 70 CO -0.05 0.52 0.10 0.00 -2.03 0.00 0.00 175.02 173.55 2msp s ALA 71 N -1.57 3.26 -0.06 3.16 0.00 -0.14 0.00 121.76 126.41 2msp s ALA 71 Ca 0.29 -1.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 2msp s ALA 71 Cb -0.11 -2.17 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 2msp s ALA 71 CO 0.22 -0.48 0.33 0.08 0.00 0.00 0.00 175.76 175.91 2msp s VAL 72 N 1.61 5.20 0.22 0.00 1.01 0.05 -3.22 120.40 125.27 2msp s VAL 72 Ca 0.06 0.65 0.10 0.00 0.00 0.00 0.00 61.98 62.79 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 0.05 0.54 -0.12 -0.44 0.00 0.00 0.00 175.10 175.14 2msp s SER 73 N -0.72 4.07 -0.14 3.32 0.01 -0.54 0.43 113.70 120.13 2msp s SER 73 Ca 0.20 -0.72 -0.04 0.00 1.31 0.00 0.00 55.95 56.71 2msp s SER 73 Cb -0.15 -0.60 0.07 0.00 0.21 0.00 0.00 66.02 65.55 2msp s SER 73 CO 0.09 0.07 0.17 0.00 0.41 0.00 0.00 173.24 173.98 2msp s ASP 75 N 2.27 4.33 0.85 0.00 2.15 -0.93 -1.64 116.67 123.71 2msp s ASP 75 Ca 0.04 0.92 -0.11 0.00 0.43 0.00 0.00 52.55 53.84 2msp s ASP 75 Cb -0.14 -1.50 0.11 0.00 -0.30 0.00 0.00 42.92 41.09 2msp s ASP 75 CO -0.09 -2.03 1.14 0.42 -0.17 0.00 0.00 175.17 174.45 2msp s THR 76 N -3.43 2.43 0.00 1.71 -4.23 -1.26 -4.86 115.64 106.00 2msp s THR 76 Ca 0.62 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 2msp s THR 76 Cb -0.12 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.36 2msp s THR 76 CO 0.51 -0.17 0.00 2.22 -0.54 0.00 0.00 174.62 176.64 2msp n PHE 77 N -3.85 0.00 -3.39 3.99 -1.74 -1.19 -5.01 117.46 106.28 2msp n PHE 77 Ca 0.11 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 0.27 -0.21 5.98 2.85 -1.26 -4.84 115.26 118.04 2msp n ASN 78 Ca 0.00 -2.60 0.30 0.00 -0.11 0.00 0.00 54.58 52.17 2msp n ASN 78 Cb 0.00 -0.60 0.60 0.00 1.24 0.00 0.00 39.78 41.02 2msp n ASN 78 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2msp h ALA 79 N 5.07 2.89 -0.72 5.20 0.00 -1.93 0.73 119.26 130.51 2msp h ALA 79 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2msp h ALA 79 Cb 0.87 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2msp h ALA 79 CO 0.45 -1.54 0.43 0.00 0.00 0.00 0.00 179.25 178.59 2msp h ALA 80 N 0.92 1.39 -2.32 0.00 0.00 -2.02 -3.36 119.26 113.87 2msp h ALA 80 Ca 0.48 -0.09 -0.59 0.00 0.00 0.00 0.00 54.91 54.72 2msp h ALA 80 Cb 2.51 -0.29 -0.38 0.00 0.00 0.00 0.00 17.79 19.63 2msp h ALA 80 CO -0.01 0.52 -0.99 0.25 0.00 0.00 0.00 179.25 179.02 2msp n THR 81 N -4.39 -1.14 -3.67 0.00 -2.24 0.26 -5.09 114.28 98.01 2msp n THR 81 Ca 0.07 -3.51 -0.02 0.00 -2.27 0.00 0.00 64.05 58.33 2msp n THR 81 Cb 0.07 -1.69 -0.01 0.00 -2.10 0.00 0.00 70.33 66.60 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 -0.11 0.76 0.15 -0.78 2.02 -1.22 -4.79 118.70 114.73 2msp s GLU 82 Ca 0.33 -0.41 -0.16 0.00 0.02 0.00 0.00 54.97 54.75 2msp s GLU 82 Cb 0.06 0.27 -0.07 0.00 0.10 0.00 0.00 34.13 34.49 2msp s GLU 82 CO -0.19 -0.35 0.59 0.34 0.02 0.00 0.00 175.26 175.67 2msp s ASP 83 N -2.87 6.92 0.00 -0.19 -1.08 -1.26 -4.93 116.67 113.26 2msp s ASP 83 Ca 0.12 1.18 0.00 0.00 -0.52 0.00 0.00 52.55 53.33 2msp s ASP 83 Cb 0.01 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 39.14 2msp s ASP 83 CO -0.02 0.12 0.48 0.18 0.52 0.00 0.00 175.17 176.46 2msp n LEU 84 N 0.98 0.44 -0.12 -1.34 4.32 -1.26 -4.76 117.00 115.25 2msp n LEU 84 Ca -0.06 -0.44 0.09 0.00 -0.02 0.00 0.00 56.01 55.59 2msp n LEU 84 Cb 0.51 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.23 2msp n LEU 84 CO 0.42 0.11 0.04 0.59 -1.22 0.00 0.00 177.39 177.33 2msp n ASN 85 N -0.09 1.18 -1.20 -1.43 5.03 -1.26 -4.52 115.26 112.96 2msp n ASN 85 Ca 0.00 -1.09 -0.06 0.00 0.87 0.00 0.00 54.58 54.30 2msp n ASN 85 Cb 0.36 0.86 0.17 0.00 -1.02 0.00 0.00 39.78 40.15 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 -1.09 2.89 -4.85 6.41 3.02 -1.26 -5.00 115.26 115.38 2msp n ASN 86 Ca 0.05 -3.83 -0.31 0.00 -0.03 0.00 0.00 54.58 50.46 2msp n ASN 86 Cb 0.34 -0.57 -0.05 0.00 -0.61 0.00 0.00 39.78 38.88 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 -2.90 5.98 0.08 6.41 1.11 -1.26 -4.91 116.67 121.19 2msp s ASP 87 Ca 0.45 0.15 -0.17 0.00 0.18 0.00 0.00 52.55 53.15 2msp s ASP 87 Cb 0.40 -1.75 0.04 0.00 1.07 0.00 0.00 42.92 42.68 2msp s ASP 87 CO -0.02 0.18 0.41 -0.60 1.18 0.00 0.00 175.17 176.32 2msp s ARG 88 N -2.42 0.99 -0.13 8.23 3.52 -1.26 -2.98 118.95 124.90 2msp s ARG 88 Ca 0.32 -0.52 0.02 0.00 -0.13 0.00 0.00 55.73 55.41 2msp s ARG 88 Cb -0.13 0.44 0.02 0.00 -1.56 0.00 0.00 34.95 33.72 2msp s ARG 88 CO 0.25 -0.37 -0.17 0.42 -0.81 0.00 0.00 175.30 174.62 2msp s ILE 89 N -3.10 1.72 -0.19 4.11 1.01 0.80 -3.13 121.20 122.42 2msp s ILE 89 Ca -0.01 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 2msp s ILE 89 Cb 0.00 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.89 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 3.04 -0.08 0.00 1.01 0.36 0.46 121.20 126.91 2msp s ILE 91 Ca 0.01 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.06 2msp s ILE 91 Cb -0.14 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 2msp s ILE 91 CO 0.02 0.43 -0.20 -1.61 0.00 0.00 0.00 174.94 173.58 2msp s GLU 92 N 1.42 2.81 0.08 2.79 2.02 0.95 -0.45 118.70 128.33 2msp s GLU 92 Ca 0.05 -0.80 -0.14 0.00 0.02 0.00 0.00 54.97 54.10 2msp s GLU 92 Cb -0.14 -2.34 0.02 0.00 0.10 0.00 0.00 34.13 31.77 2msp s GLU 92 CO -0.06 0.37 0.33 1.67 0.02 0.00 0.00 175.26 177.59 2msp s TRP 93 N -0.10 -0.11 0.18 1.61 -2.14 -0.36 0.17 118.94 118.20 2msp s TRP 93 Ca -0.04 -0.15 -0.15 0.00 2.66 0.00 0.00 56.10 58.42 2msp s TRP 93 Cb -0.14 0.14 0.02 0.00 -3.10 0.00 0.00 33.47 30.38 2msp s TRP 93 CO 0.04 -0.59 0.45 -0.08 -2.66 0.00 0.00 176.95 174.10 2msp s THR 94 N -3.29 0.04 0.86 0.66 -1.32 0.25 -0.79 115.64 112.04 2msp s THR 94 Ca 0.00 -0.96 -0.12 0.00 -1.21 0.00 0.00 61.69 59.41 2msp s THR 94 Cb 0.01 -1.64 0.11 0.00 -1.51 0.00 0.00 72.50 69.47 2msp s THR 94 CO -0.08 -0.18 1.09 0.20 -2.21 0.00 0.00 174.62 173.44 2msp s ASN 95 N -2.90 3.83 0.06 8.08 -0.87 -1.26 0.79 114.94 122.67 2msp s ASN 95 Ca 0.11 1.42 0.03 0.00 -1.57 0.00 0.00 52.86 52.85 2msp s ASN 95 Cb 0.00 -2.11 -0.04 0.00 -0.02 0.00 0.00 41.25 39.08 2msp s ASN 95 CO -0.02 -2.40 0.04 0.42 -2.57 0.00 0.00 177.10 172.56 2msp s THR 96 N -3.02 4.33 0.12 1.60 -4.23 -1.24 -4.64 115.64 108.56 2msp s THR 96 Ca 0.62 -0.79 -0.35 0.00 -1.18 0.00 0.00 61.69 60.00 2msp s THR 96 Cb -0.17 -3.05 -0.16 0.00 1.34 0.00 0.00 72.50 70.46 2msp s THR 96 CO 0.56 0.18 1.26 -2.65 -0.54 0.00 0.00 174.62 173.43 2msp n PRO 97 N 0.68 1.12 -0.18 3.99 -0.02 -1.26 -4.78 135.00 134.56 2msp n PRO 97 Ca -0.10 0.40 0.15 0.00 -2.02 0.00 0.00 63.50 61.93 2msp n PRO 97 Cb 0.52 -1.98 0.24 0.00 -0.02 0.00 0.00 33.50 32.26 2msp n PRO 97 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2msp n ASP 98 N 2.30 0.04 -3.47 2.55 8.00 -1.26 -1.97 116.55 122.74 2msp n ASP 98 Ca 0.17 0.40 -0.27 0.00 0.71 0.00 0.00 54.79 55.80 2msp n ASP 98 Cb 0.21 -0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 2msp n ASP 98 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2msp s GLY 99 N -3.36 1.41 0.22 0.44 0.00 -1.26 -5.12 107.32 99.65 2msp s GLY 99 Ca -0.02 -2.60 0.07 0.00 0.00 0.00 0.00 44.72 42.17 2msp s GLY 99 CO 0.28 1.98 0.11 0.00 0.00 0.00 0.00 173.10 175.47 2msp s ALA 100 N -0.07 3.44 -0.14 3.20 0.00 -0.83 -5.10 121.76 122.26 2msp s ALA 100 Ca 0.31 -1.39 -0.10 0.00 0.00 0.00 0.00 51.96 50.78 2msp s ALA 100 Cb 0.01 -1.18 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 2msp s ALA 100 CO -0.18 0.37 0.18 0.00 0.00 0.00 0.00 175.76 176.13 2msp s ALA 101 N -1.98 3.77 -0.84 0.00 0.00 -1.26 -4.99 121.76 116.46 2msp s ALA 101 Ca 0.31 -0.59 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 2msp s ALA 101 Cb -0.08 -2.12 -0.13 0.00 0.00 0.00 0.00 23.12 20.78 2msp s ALA 101 CO 0.23 0.40 2.30 0.15 0.00 0.00 0.00 175.76 178.84 2msp s LYS 102 N -0.44 1.73 -0.30 0.00 1.02 -1.26 -4.65 119.74 115.84 2msp s LYS 102 Ca 0.14 0.25 -0.17 0.00 0.02 0.00 0.00 55.97 56.21 2msp s LYS 102 Cb -0.12 -4.86 0.18 0.00 -0.52 0.00 0.00 37.83 32.51 2msp s LYS 102 CO 0.03 -4.37 1.12 -1.14 -0.92 0.00 0.00 175.35 170.07 2msp s GLN 103 N 8.51 0.17 0.28 1.68 0.74 -1.26 -5.06 119.66 124.71 2msp s GLN 103 Ca 0.87 0.40 -0.30 0.00 0.05 0.00 0.00 55.36 56.38 2msp s GLN 103 Cb -0.11 0.24 -0.12 0.00 1.10 0.00 0.00 33.01 34.12 2msp s GLN 103 CO 0.07 -0.08 1.58 0.34 -0.55 0.00 0.00 175.29 176.66 2msp n PHE 104 N 4.90 2.77 -3.85 1.67 7.35 -1.26 -4.98 117.46 124.05 2msp n PHE 104 Ca -0.08 0.26 -0.30 0.00 -0.76 0.00 0.00 57.45 56.57 2msp n PHE 104 Cb 0.54 -2.59 -0.15 0.00 0.35 0.00 0.00 39.48 37.63 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 -0.38 1.14 0.34 -4.13 0.52 -1.26 -5.02 118.95 110.16 2msp s ARG 105 Ca 0.65 -1.13 0.17 0.00 -0.52 0.00 0.00 55.73 54.91 2msp s ARG 105 Cb -0.51 -2.43 1.19 0.00 0.52 0.00 0.00 34.95 33.72 2msp s ARG 105 CO 0.48 -0.82 1.49 -2.13 0.02 0.00 0.00 175.30 174.34 2msp n ARG 106 N 4.70 -0.06 -0.28 3.54 3.00 -1.26 -0.04 116.66 126.25 2msp n ARG 106 Ca -0.05 1.32 0.10 0.00 -0.00 0.00 0.00 57.85 59.22 2msp n ARG 106 Cb 0.43 -2.33 0.24 0.00 0.00 0.00 0.00 32.46 30.80 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 0.16 -1.88 -0.14 3.07 -1.99 0.40 114.58 114.20 2msp h GLU 107 Ca 0.77 -0.01 0.55 0.00 -0.50 0.00 0.00 59.36 60.17 2msp h GLU 107 Cb 1.99 -0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 29.79 2msp h GLU 107 CO -0.75 0.10 1.35 -1.49 -1.40 0.00 0.00 179.01 176.82 2msp h TRP 108 N 0.16 0.01 0.08 4.33 6.55 -0.87 0.60 115.95 126.81 2msp h TRP 108 Ca 0.50 0.00 -0.21 0.00 0.95 0.00 0.00 58.89 60.12 2msp h TRP 108 Cb 0.96 -0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.25 2msp h TRP 108 CO -0.34 -0.01 -1.10 0.74 -1.05 0.00 0.00 178.44 176.69 2msp h PHE 109 N 0.00 0.31 -0.64 0.49 -1.00 -1.11 -3.37 116.94 111.62 2msp h PHE 109 Ca 0.90 -0.22 0.11 0.00 2.81 0.00 0.00 57.97 61.56 2msp h PHE 109 Cb 3.59 -0.01 -0.08 0.00 3.61 0.00 0.00 35.95 43.05 2msp h PHE 109 CO -0.00 1.43 0.22 1.96 -1.61 0.00 0.00 178.31 180.31 2msp h GLN 110 N -0.55 0.37 -7.16 1.51 4.20 0.14 -3.45 115.11 110.18 2msp h GLN 110 Ca -0.25 -0.02 -0.40 0.00 0.06 0.00 0.00 58.65 58.04 2msp h GLN 110 Cb 1.55 -0.08 0.21 0.00 0.30 0.00 0.00 27.48 29.45 2msp h GLN 110 CO 0.01 0.25 -0.03 0.20 -0.67 0.00 0.00 178.83 178.59 2msp s GLY 111 N -3.22 1.48 0.13 3.46 0.00 -0.50 -4.96 107.32 103.71 2msp s GLY 111 Ca -0.13 -0.78 -0.31 0.00 0.00 0.00 0.00 44.72 43.51 2msp s GLY 111 CO 0.75 0.16 1.36 0.99 0.00 0.00 0.00 173.10 176.36 2msp s ASP 112 N -3.30 6.85 0.00 1.64 1.11 -1.26 -4.89 116.67 116.82 2msp s ASP 112 Ca 0.69 2.32 0.00 0.00 0.18 0.00 0.00 52.55 55.74 2msp s ASP 112 Cb -0.14 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.26 2msp s ASP 112 CO 0.58 -0.62 0.00 0.61 1.18 0.00 0.00 175.17 176.93 2msp n GLY 113 N 3.24 -0.47 3.48 0.21 0.00 -1.26 -4.79 105.19 105.60 2msp n GLY 113 Ca 0.10 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 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 2.29 -0.05 1.61 -1.94 -1.26 -4.87 119.30 113.07 2msp s MET 114 Ca 0.00 -0.84 0.01 0.00 -1.71 0.00 0.00 55.69 53.15 2msp s MET 114 Cb 0.00 -2.29 0.02 0.00 2.01 0.00 0.00 34.83 34.57 2msp s MET 114 CO 0.00 0.58 -0.06 0.08 -0.01 0.00 0.00 175.02 175.61 2msp s VAL 115 N -0.85 0.65 0.03 -6.03 1.01 -1.26 -4.68 120.40 109.26 2msp s VAL 115 Ca 0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 2msp s VAL 115 Cb -0.11 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2msp s VAL 115 CO 0.04 0.26 0.22 -0.60 0.00 0.00 0.00 175.10 175.01 2msp s ARG 116 N 1.01 3.47 0.08 2.72 3.52 0.03 -4.97 118.95 124.81 2msp s ARG 116 Ca -0.09 -0.30 0.06 0.00 -0.13 0.00 0.00 55.73 55.26 2msp s ARG 116 Cb -0.14 -3.06 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 2msp s ARG 116 CO -0.00 0.64 -0.15 1.03 -0.81 0.00 0.00 175.30 176.00 2msp s ARG 117 N -2.14 0.89 -0.08 5.12 0.52 -1.26 -1.23 118.95 120.78 2msp s ARG 117 Ca 0.31 -1.02 -0.05 0.00 -0.52 0.00 0.00 55.73 54.45 2msp s ARG 117 Cb -0.13 -0.94 0.04 0.00 0.52 0.00 0.00 34.95 34.44 2msp s ARG 117 CO 0.22 0.21 0.20 0.21 0.02 0.00 0.00 175.30 176.15 2msp s LYS 118 N -1.84 0.18 -0.14 3.54 2.20 0.40 -5.01 119.74 119.07 2msp s LYS 118 Ca 0.00 0.40 -0.03 0.00 -0.36 0.00 0.00 55.97 55.99 2msp s LYS 118 Cb -0.10 -0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.13 2msp s LYS 118 CO 0.03 -0.12 -0.04 -0.80 -0.36 0.00 0.00 175.35 174.06 2msp s ASN 119 N 0.87 4.83 -0.29 1.43 0.01 -1.26 -0.49 114.94 120.04 2msp s ASN 119 Ca -0.06 -0.09 0.02 0.00 -0.71 0.00 0.00 52.86 52.02 2msp s ASN 119 Cb -0.08 -1.68 0.07 0.00 0.41 0.00 0.00 41.25 39.97 2msp s ASN 119 CO -0.05 0.21 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.94 2msp s LEU 120 N 0.10 3.83 0.27 0.60 1.43 0.29 -4.86 118.68 120.34 2msp s LEU 120 Ca -0.01 -1.53 -0.17 0.00 -1.03 0.00 0.00 54.13 51.40 2msp s LEU 120 Cb -0.13 -1.61 -0.09 0.00 0.03 0.00 0.00 46.19 44.39 2msp s LEU 120 CO 0.03 -0.25 0.73 -2.16 0.23 0.00 0.00 176.35 174.93 2msp s PRO 121 N 1.10 4.13 -0.15 1.29 0.04 -1.26 0.28 135.00 140.43 2msp s PRO 121 Ca -0.04 0.77 -0.17 0.00 0.04 0.00 0.00 61.00 61.60 2msp s PRO 121 Cb -0.20 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 2msp s PRO 121 CO -0.05 0.28 0.42 0.42 0.04 0.00 0.00 177.00 178.12 2msp s ILE 122 N -1.74 5.21 -0.24 0.56 1.09 -1.16 -1.38 121.20 123.55 2msp s ILE 122 Ca 0.48 0.81 -0.05 0.00 -1.10 0.00 0.00 60.65 60.79 2msp s ILE 122 Cb -0.14 -3.76 -0.01 0.00 -1.06 0.00 0.00 42.46 37.49 2msp s ILE 122 CO 0.19 0.31 0.01 -0.70 -0.10 0.00 0.00 174.94 174.65 2msp s GLU 123 N 0.80 3.42 -0.26 2.79 2.12 0.83 -4.61 118.70 123.79 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 31.08 2msp s GLU 123 CO 0.08 -0.23 0.63 0.71 -0.54 0.00 0.00 175.26 175.91 2msp s TYR 124 N 1.52 3.27 -0.33 5.30 2.02 -1.26 0.19 117.35 128.05 2msp s TYR 124 Ca 0.05 0.77 -0.10 0.00 -0.37 0.00 0.00 57.07 57.42 2msp s TYR 124 Cb -0.15 -2.87 -0.00 0.00 -0.40 0.00 0.00 41.96 38.54 2msp s TYR 124 CO -0.01 -0.35 0.18 1.21 -1.57 0.00 0.00 175.55 175.01 2msp s ASN 125 N 1.51 5.67 0.00 2.29 2.47 0.24 -4.94 114.94 122.18 2msp s ASN 125 Ca 0.26 -0.62 0.26 0.00 0.42 0.00 0.00 52.86 53.18 2msp s ASN 125 Cb -0.15 -2.03 0.63 0.00 -1.45 0.00 0.00 41.25 38.24 2msp s ASN 125 CO 0.09 -0.25 1.51 0.18 -3.72 0.00 0.00 177.10 174.91