#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 2.13 0.30 -3.33 -7.23 -1.26 -4.98 120.40 106.04 2msp s VAL 4 Ca 0.00 -1.04 -0.27 0.00 -1.81 0.00 0.00 61.98 58.85 2msp s VAL 4 Cb 0.00 -1.77 -0.14 0.00 0.56 0.00 0.00 36.38 35.03 2msp s VAL 4 CO 0.00 0.57 0.91 -0.81 -0.31 0.00 0.00 175.10 175.46 2msp n PRO 5 N 2.88 1.13 -1.64 4.82 -0.04 -1.26 -4.85 135.00 136.04 2msp n PRO 5 Ca -0.17 0.40 -0.30 0.00 -0.04 0.00 0.00 63.50 63.38 2msp n PRO 5 Cb 0.52 -1.73 0.07 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.53 2.58 0.75 0.54 0.05 -1.26 -5.01 135.00 131.12 2msp s PRO 6 Ca 0.60 0.71 -0.10 0.00 0.05 0.00 0.00 61.00 62.26 2msp s PRO 6 Cb -0.71 -1.97 0.06 0.00 0.05 0.00 0.00 34.50 31.94 2msp s PRO 6 CO 0.59 -1.29 1.10 0.20 0.05 0.00 0.00 177.00 177.65 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 -0.70 -0.05 0.00 0.00 0.00 0.00 44.72 44.55 2msp s GLY 7 CO 0.54 -0.27 0.85 0.51 0.00 0.00 0.00 173.10 174.73 2msp s ASP 8 N -4.52 5.86 0.29 1.64 1.47 -1.26 -4.77 116.67 115.39 2msp s ASP 8 Ca 0.60 0.78 0.11 0.00 1.18 0.00 0.00 52.55 55.22 2msp s ASP 8 Cb -0.11 -1.91 -0.05 0.00 -0.34 0.00 0.00 42.92 40.51 2msp s ASP 8 CO 0.48 -0.86 -0.16 0.27 0.68 0.00 0.00 175.17 175.58 2msp s ILE 9 N -2.87 2.31 -0.06 2.11 -4.36 -1.26 -1.59 121.20 115.48 2msp s ILE 9 Ca 0.51 -2.32 0.05 0.00 -0.26 0.00 0.00 60.65 58.63 2msp s ILE 9 Cb -0.10 -2.40 -0.02 0.00 1.25 0.00 0.00 42.46 41.19 2msp s ILE 9 CO 0.45 -0.35 -0.22 0.20 0.24 0.00 0.00 174.94 175.26 2msp s ASN 10 N -3.52 3.37 0.12 4.36 0.01 0.63 -4.87 114.94 115.03 2msp s ASN 10 Ca 0.30 -0.42 0.09 0.00 -0.71 0.00 0.00 52.86 52.12 2msp s ASN 10 Cb -0.02 -0.84 -0.04 0.00 0.41 0.00 0.00 41.25 40.77 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 -0.31 1.82 -0.18 1.60 -4.23 -1.26 -0.09 115.64 112.99 2msp s THR 11 Ca 0.01 -1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 58.85 2msp s THR 11 Cb -0.13 -1.68 0.05 0.00 1.34 0.00 0.00 72.50 72.09 2msp s THR 11 CO 0.02 -0.09 0.01 -1.10 -0.54 0.00 0.00 174.62 172.93 2msp s GLN 12 N -2.10 0.82 1.38 3.99 -0.21 -0.86 -2.39 119.66 120.30 2msp s GLN 12 Ca 0.09 -0.42 -0.23 0.00 0.02 0.00 0.00 55.36 54.82 2msp s GLN 12 Cb -0.09 -2.00 0.36 0.00 1.00 0.00 0.00 33.01 32.27 2msp s GLN 12 CO 0.05 -0.57 0.88 -0.35 -2.12 0.00 0.00 175.29 173.18 2msp n PRO 13 N 5.01 -4.49 -1.74 2.91 -0.04 -1.26 -1.16 135.00 134.22 2msp n PRO 13 Ca -0.09 -1.47 -0.06 0.00 -0.04 0.00 0.00 63.50 61.83 2msp n PRO 13 Cb 0.47 -1.79 0.08 0.00 -0.04 0.00 0.00 33.50 32.22 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 -5.42 4.18 0.00 0.55 0.00 -1.00 -4.81 105.19 98.68 2msp n GLY 14 Ca 0.14 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.60 0.00 -1.94 1.61 7.64 -1.26 -4.97 113.62 114.10 2msp n SER 15 Ca 0.23 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.09 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 -0.49 0.37 -3.67 1.43 2.85 -1.26 -4.28 118.16 113.11 2msp n LYS 16 Ca 0.00 -0.78 -0.09 0.00 -1.05 0.00 0.00 58.31 56.39 2msp n LYS 16 Cb 0.00 1.02 -0.09 0.00 -0.65 0.00 0.00 35.03 35.31 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 -0.21 -0.13 0.58 -1.16 -0.64 -4.61 121.20 112.60 2msp s ILE 17 Ca 0.09 0.09 -0.05 0.00 -0.51 0.00 0.00 60.65 60.27 2msp s ILE 17 Cb -0.02 -0.72 -0.04 0.00 0.61 0.00 0.00 42.46 42.30 2msp s ILE 17 CO 0.03 0.04 0.06 -0.69 -2.81 0.00 0.00 174.94 171.57 2msp s VAL 18 N 1.79 4.77 -0.22 4.00 1.01 -1.26 -1.00 120.40 129.49 2msp s VAL 18 Ca -0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 2msp s VAL 18 Cb -0.09 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 2msp s VAL 18 CO -0.15 0.56 -0.02 -0.36 0.00 0.00 0.00 175.10 175.14 2msp s PHE 19 N -0.50 2.99 -0.03 5.22 0.40 0.59 -4.96 117.98 121.68 2msp s PHE 19 Ca 0.10 -0.79 -0.14 0.00 -0.60 0.00 0.00 56.93 55.50 2msp s PHE 19 Cb -0.12 -2.13 -0.05 0.00 0.51 0.00 0.00 43.02 41.23 2msp s PHE 19 CO 0.02 -0.48 0.37 -0.80 0.70 0.00 0.00 175.22 175.03 2msp s ASN 20 N 1.45 6.73 1.15 1.36 0.01 -1.26 0.41 114.94 124.79 2msp s ASN 20 Ca 0.05 0.87 -0.17 0.00 -0.71 0.00 0.00 52.86 52.90 2msp s ASN 20 Cb -0.14 -2.22 0.26 0.00 0.41 0.00 0.00 41.25 39.55 2msp s ASN 20 CO -0.01 0.31 1.09 0.00 -1.51 0.00 0.00 177.10 176.98 2msp s ALA 21 N -0.92 0.59 0.52 0.60 0.00 0.33 -4.71 121.76 118.18 2msp s ALA 21 Ca 0.22 -0.73 -0.14 0.00 0.00 0.00 0.00 51.96 51.31 2msp s ALA 21 Cb -0.16 -2.97 -0.07 0.00 0.00 0.00 0.00 23.12 19.92 2msp s ALA 21 CO 0.11 -3.42 0.96 -1.25 0.00 0.00 0.00 175.76 172.16 2msp s PRO 22 N -5.21 3.83 -0.99 0.00 0.04 -1.26 -5.05 135.00 126.35 2msp s PRO 22 Ca 0.69 0.81 -0.01 0.00 0.04 0.00 0.00 61.00 62.52 2msp s PRO 22 Cb -0.13 -2.17 0.32 0.00 0.04 0.00 0.00 34.50 32.55 2msp s PRO 22 CO 0.57 -0.30 1.62 0.66 0.04 0.00 0.00 177.00 179.59 2msp n TYR 23 N -1.83 2.77 -1.56 0.56 4.01 -1.26 -4.50 117.16 115.34 2msp n TYR 23 Ca 0.06 -2.75 0.06 0.00 -0.16 0.00 0.00 57.90 55.11 2msp n TYR 23 Cb 0.54 -1.13 0.10 0.00 -0.31 0.00 0.00 39.34 38.55 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 0.33 1.49 -3.57 7.72 5.68 -1.26 -3.17 116.55 123.76 2msp n ASP 24 Ca 0.39 -2.85 -0.16 0.00 -0.50 0.00 0.00 54.79 51.68 2msp n ASP 24 Cb 0.30 -0.38 -0.06 0.00 -1.14 0.00 0.00 41.12 39.84 2msp n ASP 24 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2msp s ASP 25 N -2.38 -0.67 -0.26 -1.12 1.01 -1.26 -4.93 116.67 107.06 2msp s ASP 25 Ca 0.25 0.99 -0.28 0.00 0.71 0.00 0.00 52.55 54.22 2msp s ASP 25 Cb 0.24 0.90 -0.04 0.00 1.01 0.00 0.00 42.92 45.03 2msp s ASP 25 CO -0.02 -0.43 2.14 -0.75 0.21 0.00 0.00 175.17 176.32 2msp s LYS 26 N -0.50 3.11 0.06 8.23 2.20 -1.26 -4.49 119.74 127.08 2msp s LYS 26 Ca -0.05 1.85 -0.08 0.00 -0.36 0.00 0.00 55.97 57.33 2msp s LYS 26 Cb -0.02 -4.35 -0.05 0.00 -1.51 0.00 0.00 37.83 31.90 2msp s LYS 26 CO 0.05 -2.13 0.34 -1.58 -0.36 0.00 0.00 175.35 171.67 2msp s HIS 27 N 8.24 3.57 -0.31 4.03 2.46 -0.68 -4.90 115.29 127.69 2msp s HIS 27 Ca 0.96 0.67 0.02 0.00 0.47 0.00 0.00 55.06 57.18 2msp s HIS 27 Cb -0.30 -2.07 0.09 0.00 -0.13 0.00 0.00 32.58 30.18 2msp s HIS 27 CO 0.34 0.55 0.04 0.99 -2.47 0.00 0.00 174.74 174.19 2msp s THR 28 N -1.38 1.85 0.64 0.89 2.01 -1.26 -1.19 115.64 117.20 2msp s THR 28 Ca 0.32 -1.93 0.01 0.00 0.31 0.00 0.00 61.69 60.39 2msp s THR 28 Cb -0.13 -2.31 0.09 0.00 0.01 0.00 0.00 72.50 70.15 2msp s THR 28 CO 0.18 -0.51 0.89 -0.31 -0.69 0.00 0.00 174.62 174.18 2msp s TYR 29 N 1.14 2.10 0.17 4.92 1.51 0.14 -4.88 117.35 122.46 2msp s TYR 29 Ca 0.07 -0.20 0.06 0.00 -1.01 0.00 0.00 57.07 55.99 2msp s TYR 29 Cb -0.19 -2.84 -0.04 0.00 -0.11 0.00 0.00 41.96 38.78 2msp s TYR 29 CO -0.12 -1.33 -0.12 -1.01 -1.11 0.00 0.00 175.55 171.87 2msp s HIS 30 N -2.95 1.45 0.01 2.71 3.76 -1.26 -0.50 115.29 118.50 2msp s HIS 30 Ca 0.62 -0.67 0.00 0.00 -0.15 0.00 0.00 55.06 54.86 2msp s HIS 30 Cb -0.07 -0.71 -0.01 0.00 1.11 0.00 0.00 32.58 32.90 2msp s HIS 30 CO 0.41 0.19 -0.02 0.42 -0.85 0.00 0.00 174.74 174.90 2msp s ILE 31 N -3.12 0.14 -0.26 0.60 1.01 0.15 -4.65 121.20 115.07 2msp s ILE 31 Ca 0.18 -0.27 -0.07 0.00 0.00 0.00 0.00 60.65 60.49 2msp s ILE 31 Cb 0.01 -0.16 -0.02 0.00 0.01 0.00 0.00 42.46 42.30 2msp s ILE 31 CO 0.03 -0.09 0.06 -0.75 0.00 0.00 0.00 174.94 174.20 2msp s LYS 32 N -0.38 3.52 -0.17 2.79 2.20 -0.31 0.13 119.74 127.52 2msp s LYS 32 Ca -0.03 -0.57 -0.07 0.00 -0.36 0.00 0.00 55.97 54.94 2msp s LYS 32 Cb -0.03 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 2msp s LYS 32 CO -0.00 -0.24 0.07 0.42 -0.36 0.00 0.00 175.35 175.23 2msp s ILE 33 N 1.58 4.85 -0.05 5.43 1.01 0.17 -2.02 121.20 132.17 2msp s ILE 33 Ca 0.06 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.71 2msp s ILE 33 Cb -0.15 -3.18 0.02 0.00 0.01 0.00 0.00 42.46 39.16 2msp s ILE 33 CO 0.03 0.48 -0.08 -0.89 0.00 0.00 0.00 174.94 174.47 2msp s THR 34 N 0.20 0.82 -0.85 2.92 2.01 0.87 0.10 115.64 121.71 2msp s THR 34 Ca 0.05 -0.30 -0.25 0.00 0.31 0.00 0.00 61.69 61.49 2msp s THR 34 Cb -0.12 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.63 2msp s THR 34 CO 0.00 0.28 1.47 0.21 -0.69 0.00 0.00 174.62 175.90 2msp s ASN 35 N 0.72 6.10 0.28 3.53 3.84 -0.36 -0.27 114.94 128.78 2msp s ASN 35 Ca -0.12 -0.78 0.26 0.00 0.21 0.00 0.00 52.86 52.42 2msp s ASN 35 Cb -0.15 -2.56 0.89 0.00 -0.55 0.00 0.00 41.25 38.89 2msp s ASN 35 CO 0.02 -1.86 1.76 0.00 -2.79 0.00 0.00 177.10 174.23 2msp h ALA 36 N 10.58 1.00 -2.08 1.71 0.00 -1.62 0.35 119.26 129.20 2msp h ALA 36 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.44 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 0.09 0.20 0.00 0.00 0.00 179.25 180.87 2msp s GLY 37 N -3.68 1.55 -0.07 0.00 0.00 -1.06 -4.78 107.32 99.28 2msp s GLY 37 Ca 0.07 -0.78 0.17 0.00 0.00 0.00 0.00 44.72 44.18 2msp s GLY 37 CO 0.52 0.07 0.47 0.61 0.00 0.00 0.00 173.10 174.77 2msp n GLY 38 N -0.50 -1.06 3.67 0.20 0.00 -1.26 -4.22 105.19 102.02 2msp n GLY 38 Ca 0.11 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.78 2.27 1.12 1.61 0.52 -1.26 -4.76 118.95 115.67 2msp s ARG 39 Ca -0.06 -1.53 -0.18 0.00 -0.52 0.00 0.00 55.73 53.43 2msp s ARG 39 Cb 0.08 -2.12 0.12 0.00 0.52 0.00 0.00 34.95 33.56 2msp s ARG 39 CO 0.83 0.23 0.12 0.54 0.02 0.00 0.00 175.30 177.04 2msp n ARG 40 N -0.99 -1.63 -3.67 3.54 1.74 -1.26 -4.46 116.66 109.93 2msp n ARG 40 Ca -0.05 -0.46 -0.10 0.00 -0.77 0.00 0.00 57.85 56.47 2msp n ARG 40 Cb 0.60 -1.75 -0.05 0.00 -1.02 0.00 0.00 32.46 30.24 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 -2.26 0.08 -0.07 0.55 -4.36 -0.39 -3.57 121.20 111.18 2msp s ILE 41 Ca 0.57 -0.66 0.04 0.00 -0.26 0.00 0.00 60.65 60.34 2msp s ILE 41 Cb -0.13 -1.20 0.00 0.00 1.25 0.00 0.00 42.46 42.38 2msp s ILE 41 CO 0.66 -0.36 -0.19 -0.83 0.24 0.00 0.00 174.94 174.47 2msp s GLY 42 N -2.81 1.05 0.04 6.27 0.00 0.95 -1.49 107.32 111.33 2msp s GLY 42 Ca 0.03 -0.74 0.02 0.00 0.00 0.00 0.00 44.72 44.04 2msp s GLY 42 CO -0.12 -0.24 -0.07 0.66 0.00 0.00 0.00 173.10 173.33 2msp s TRP 43 N 0.29 0.62 -0.00 1.90 1.48 0.14 -0.92 118.94 122.45 2msp s TRP 43 Ca -0.12 -0.51 -0.13 0.00 -1.06 0.00 0.00 56.10 54.28 2msp s TRP 43 Cb -0.15 -0.38 0.02 0.00 -1.16 0.00 0.00 33.47 31.80 2msp s TRP 43 CO 0.05 -0.10 0.28 0.00 -4.06 0.00 0.00 176.95 173.12 2msp s ALA 44 N -1.45 -0.68 -0.08 2.67 0.00 0.12 0.23 121.76 122.58 2msp s ALA 44 Ca -0.10 0.19 -0.03 0.00 0.00 0.00 0.00 51.96 52.02 2msp s ALA 44 Cb -0.10 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 2msp s ALA 44 CO 0.00 -0.28 0.05 0.42 0.00 0.00 0.00 175.76 175.95 2msp s ILE 45 N -1.55 4.66 -0.03 0.00 -1.09 -0.05 -1.04 121.20 122.11 2msp s ILE 45 Ca -0.12 -0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.13 2msp s ILE 45 Cb -0.05 -3.01 0.01 0.00 -1.58 0.00 0.00 42.46 37.83 2msp s ILE 45 CO 0.03 0.55 -0.05 -0.75 -1.23 0.00 0.00 174.94 173.49 2msp s LYS 46 N -1.10 0.74 0.31 2.79 2.20 0.98 -4.96 119.74 120.70 2msp s LYS 46 Ca 0.16 -0.15 0.03 0.00 -0.36 0.00 0.00 55.97 55.65 2msp s LYS 46 Cb -0.12 -0.74 0.03 0.00 -1.51 0.00 0.00 37.83 35.50 2msp s LYS 46 CO 0.05 -0.01 0.28 0.25 -0.36 0.00 0.00 175.35 175.56 2msp n THR 47 N 3.69 0.00 0.18 3.43 -2.24 -1.26 0.21 114.28 118.29 2msp n THR 47 Ca -0.22 -1.17 0.03 0.00 -2.27 0.00 0.00 64.05 60.42 2msp n THR 47 Cb 0.53 -0.37 0.03 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.34 0.18 -3.13 4.28 -1.04 -1.19 -4.79 114.28 107.25 2msp n THR 48 Ca 0.01 -0.59 -0.18 0.00 -2.04 0.00 0.00 64.05 61.26 2msp n THR 48 Cb 0.34 1.01 -0.06 0.00 -1.82 0.00 0.00 70.33 69.80 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 0.28 -1.70 0.02 8.00 2.85 -1.26 -4.94 115.26 118.51 2msp n ASN 49 Ca 0.04 -2.59 0.20 0.00 -0.11 0.00 0.00 54.58 52.11 2msp n ASN 49 Cb 0.18 0.38 0.69 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 5.37 0.00 -0.02 1.20 2.86 -1.87 0.72 114.93 123.19 2msp h MET 50 Ca 0.18 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 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 -0.00 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 -3.39 114.38 113.82 2msp h ARG 51 Ca 0.24 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.18 2msp h ARG 51 Cb 0.96 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 2msp h ARG 51 CO -0.00 0.39 -0.69 -0.09 -1.07 0.00 0.00 179.97 178.51 2msp h ARG 52 N -0.31 0.00 -7.13 0.04 2.43 -1.75 -3.47 114.38 104.20 2msp h ARG 52 Ca 0.01 0.00 -0.46 0.00 -0.81 0.00 0.00 59.98 58.72 2msp h ARG 52 Cb 0.37 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 29.98 2msp h ARG 52 CO 0.00 0.54 0.14 -0.51 -1.51 0.00 0.00 179.97 178.64 2msp s LEU 53 N -8.12 3.05 -0.22 3.80 1.43 0.17 -2.24 118.68 116.56 2msp s LEU 53 Ca -0.19 0.40 -0.23 0.00 -1.03 0.00 0.00 54.13 53.07 2msp s LEU 53 Cb 0.03 -3.15 0.06 0.00 0.03 0.00 0.00 46.19 43.16 2msp s LEU 53 CO 0.41 -1.33 0.64 -0.83 0.23 0.00 0.00 176.35 175.46 2msp s GLY 54 N -4.44 -0.48 0.29 -3.19 0.00 -1.06 -4.60 107.32 93.84 2msp s GLY 54 Ca 0.58 1.73 0.08 0.00 0.00 0.00 0.00 44.72 47.10 2msp s GLY 54 CO 0.43 1.47 -0.08 0.14 0.00 0.00 0.00 173.10 175.06 2msp s VAL 55 N 0.15 1.86 0.00 1.40 1.01 -1.26 -1.30 120.40 122.26 2msp s VAL 55 Ca -0.01 -2.17 0.00 0.00 0.00 0.00 0.00 61.98 59.80 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 0.00 175.10 174.15 2msp n ASP 56 N -0.63 0.00 -4.82 3.32 2.03 -1.20 -4.53 116.55 110.73 2msp n ASP 56 Ca -0.05 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.93 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 3.88 0.00 -0.67 0.04 -1.26 -1.23 135.00 135.75 2msp s PRO 57 Ca 0.00 1.14 0.28 0.00 0.04 0.00 0.00 61.00 62.46 2msp s PRO 57 Cb 0.00 -2.12 1.00 0.00 0.04 0.00 0.00 34.50 33.42 2msp s PRO 57 CO 0.00 -0.34 1.75 -2.30 0.04 0.00 0.00 177.00 176.15 2msp n PRO 58 N -1.27 0.08 -3.57 0.56 -0.02 -1.26 -4.88 135.00 124.64 2msp n PRO 58 Ca 0.08 -0.02 -0.09 0.00 -2.02 0.00 0.00 63.50 61.44 2msp n PRO 58 Cb 0.53 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.47 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 -2.94 -0.32 0.06 2.55 1.04 -1.26 -0.87 113.70 111.97 2msp s SER 59 Ca 0.15 0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.75 2msp s SER 59 Cb 0.19 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.62 2msp s SER 59 CO 0.58 -0.35 0.50 0.61 0.98 0.00 0.00 173.24 175.56 2msp n GLY 60 N 0.49 0.85 3.28 7.32 0.00 0.14 -4.92 105.19 112.35 2msp n GLY 60 Ca -0.08 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.28 2.09 -0.05 1.61 1.01 -1.26 0.24 120.40 121.76 2msp s VAL 61 Ca 0.11 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2msp s VAL 61 Cb -0.01 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.64 2msp s VAL 61 CO 0.02 0.57 -0.06 -0.76 0.00 0.00 0.00 175.10 174.87 2msp s LEU 62 N -0.20 1.32 0.00 3.92 1.02 -0.55 -4.97 118.68 119.22 2msp s LEU 62 Ca -0.02 -0.17 -0.04 0.00 0.02 0.00 0.00 54.13 53.92 2msp s LEU 62 Cb -0.13 -0.54 0.06 0.00 0.02 0.00 0.00 46.19 45.59 2msp s LEU 62 CO 0.03 -0.05 0.18 0.47 0.02 0.00 0.00 176.35 177.00 2msp n ASP 63 N 4.15 -1.45 -4.83 2.29 8.00 -1.26 -1.26 116.55 122.19 2msp n ASP 63 Ca -0.22 -0.52 -0.34 0.00 0.71 0.00 0.00 54.79 54.42 2msp n ASP 63 Cb 0.51 -0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 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 -3.42 4.19 0.00 -0.24 0.04 -1.26 -3.42 135.00 130.89 2msp s PRO 64 Ca 0.12 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.04 2msp s PRO 64 Cb -0.01 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.94 2msp s PRO 64 CO 0.10 0.22 0.00 0.43 0.04 0.00 0.00 177.00 177.78 2msp n SER 65 N 0.05 0.00 -4.88 6.66 7.64 0.12 -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 -1.61 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 3.22 0.07 1.43 2.12 -1.22 -4.79 118.70 118.93 2msp s GLU 66 Ca 0.00 0.57 -0.08 0.00 0.36 0.00 0.00 54.97 55.82 2msp s GLU 66 Cb 0.00 -2.07 -0.00 0.00 0.26 0.00 0.00 34.13 32.32 2msp s GLU 66 CO 0.00 -0.78 0.16 -1.59 -0.54 0.00 0.00 175.26 172.51 2msp s LYS 67 N -5.24 0.75 0.04 4.30 -2.85 -1.26 -1.22 119.74 114.26 2msp s LYS 67 Ca 0.56 -0.86 -0.01 0.00 -1.00 0.00 0.00 55.97 54.66 2msp s LYS 67 Cb -0.11 0.30 -0.03 0.00 -2.06 0.00 0.00 37.83 35.93 2msp s LYS 67 CO 0.52 -0.22 -0.02 0.54 0.10 0.00 0.00 175.35 176.27 2msp s VAL 68 N -3.36 0.18 -0.32 1.79 0.11 0.11 -4.96 120.40 113.95 2msp s VAL 68 Ca 0.01 -1.45 0.02 0.00 -2.93 0.00 0.00 61.98 57.63 2msp s VAL 68 Cb 0.03 -1.06 0.08 0.00 -1.53 0.00 0.00 36.38 33.90 2msp s VAL 68 CO -0.08 -0.80 0.02 -0.22 -3.33 0.00 0.00 175.10 170.69 2msp s LEU 69 N -2.38 4.36 0.11 2.54 2.96 -1.26 0.46 118.68 125.47 2msp s LEU 69 Ca -0.01 -1.80 0.04 0.00 -0.22 0.00 0.00 54.13 52.14 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 -0.07 -0.34 0.06 0.00 -1.32 0.00 0.00 176.35 174.69 2msp s MET 70 N 1.05 2.75 -0.26 1.98 0.23 0.12 -4.77 119.30 120.40 2msp s MET 70 Ca 0.03 -0.81 -0.09 0.00 -1.03 0.00 0.00 55.69 53.78 2msp s MET 70 Cb -0.20 -2.62 -0.04 0.00 -1.53 0.00 0.00 34.83 30.44 2msp s MET 70 CO -0.06 0.53 0.13 0.00 -2.03 0.00 0.00 175.02 173.59 2msp s ALA 71 N -1.49 3.35 -0.07 3.16 0.00 -0.37 0.29 121.76 126.63 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 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 20.68 2msp s ALA 71 CO 0.21 -0.52 0.31 0.08 0.00 0.00 0.00 175.76 175.84 2msp s VAL 72 N 1.69 5.22 0.21 0.00 1.01 0.34 -3.22 120.40 125.65 2msp s VAL 72 Ca 0.07 0.61 0.10 0.00 0.00 0.00 0.00 61.98 62.76 2msp s VAL 72 Cb -0.16 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2msp s VAL 72 CO 0.07 0.54 -0.13 -0.44 0.00 0.00 0.00 175.10 175.14 2msp s SER 73 N -0.69 3.99 -0.13 3.32 0.01 -0.42 0.26 113.70 120.06 2msp s SER 73 Ca 0.20 -0.73 -0.04 0.00 1.31 0.00 0.00 55.95 56.69 2msp s SER 73 Cb -0.15 -0.56 0.06 0.00 0.21 0.00 0.00 66.02 65.58 2msp s SER 73 CO 0.09 0.08 0.15 0.00 0.41 0.00 0.00 173.24 173.97 2msp s ASP 75 N 2.25 4.60 0.88 0.00 2.15 -0.95 -1.69 116.67 123.92 2msp s ASP 75 Ca 0.04 0.91 -0.10 0.00 0.43 0.00 0.00 52.55 53.83 2msp s ASP 75 Cb -0.14 -1.50 0.13 0.00 -0.30 0.00 0.00 42.92 41.11 2msp s ASP 75 CO -0.08 -1.86 1.14 0.42 -0.17 0.00 0.00 175.17 174.62 2msp s THR 76 N -3.47 2.32 0.00 1.71 -4.23 -1.26 -4.87 115.64 105.84 2msp s THR 76 Ca 0.61 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.23 2msp s THR 76 Cb -0.12 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.50 2msp s THR 76 CO 0.50 -0.14 0.00 2.22 -0.54 0.00 0.00 174.62 176.67 2msp n PHE 77 N -4.09 0.00 -3.36 3.99 -1.74 -1.19 -5.04 117.46 106.03 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 0.30 0.22 5.98 2.85 -1.26 -4.85 115.26 118.49 2msp n ASN 78 Ca 0.00 -2.62 0.01 0.00 -0.11 0.00 0.00 54.58 51.86 2msp n ASN 78 Cb 0.00 -0.61 0.06 0.00 1.24 0.00 0.00 39.78 40.47 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 4.94 1.61 0.00 5.20 0.00 -1.92 0.31 119.26 129.39 2msp h ALA 79 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2msp h ALA 79 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2msp h ALA 79 CO 0.46 -0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.10 2msp h ALA 80 N 0.15 1.00 0.00 0.00 0.00 -2.02 -3.39 119.26 115.00 2msp h ALA 80 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2msp h ALA 80 Cb 1.53 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 2msp h ALA 80 CO 0.00 0.00 -0.56 0.25 0.00 0.00 0.00 179.25 178.94 2msp n THR 81 N -2.64 0.97 -0.64 0.00 -2.24 0.11 -5.10 114.28 104.74 2msp n THR 81 Ca 0.04 0.22 -0.30 0.00 -2.27 0.00 0.00 64.05 61.73 2msp n THR 81 Cb 0.42 -1.68 0.19 0.00 -2.10 0.00 0.00 70.33 67.15 2msp n THR 81 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2msp s GLU 82 N -2.15 0.47 0.35 -0.78 -1.05 -1.20 -4.99 118.70 109.35 2msp s GLU 82 Ca -0.06 1.37 -0.26 0.00 -0.15 0.00 0.00 54.97 55.87 2msp s GLU 82 Cb 0.01 -1.68 -0.09 0.00 -0.44 0.00 0.00 34.13 31.93 2msp s GLU 82 CO 0.09 -2.95 1.01 0.34 0.95 0.00 0.00 175.26 174.70 2msp s ASP 83 N -2.61 7.08 0.00 0.83 -1.08 -1.26 -4.92 116.67 114.71 2msp s ASP 83 Ca 0.67 1.99 0.00 0.00 -0.52 0.00 0.00 52.55 54.69 2msp s ASP 83 Cb -0.23 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.64 2msp s ASP 83 CO 0.60 -0.26 0.48 0.18 0.52 0.00 0.00 175.17 176.69 2msp n LEU 84 N 0.39 0.47 -0.14 -1.34 4.32 -1.26 -4.76 117.00 114.69 2msp n LEU 84 Ca 0.03 -0.47 0.10 0.00 -0.02 0.00 0.00 56.01 55.64 2msp n LEU 84 Cb 0.49 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.21 2msp n LEU 84 CO 0.46 0.12 0.05 0.59 -1.22 0.00 0.00 177.39 177.39 2msp n ASN 85 N -0.10 1.23 -1.18 -1.43 5.03 -1.26 -4.53 115.26 113.03 2msp n ASN 85 Ca 0.00 -1.12 -0.06 0.00 0.87 0.00 0.00 54.58 54.27 2msp n ASN 85 Cb 0.35 0.85 0.16 0.00 -1.02 0.00 0.00 39.78 40.12 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 -1.05 2.91 -4.85 6.41 3.02 -1.26 -5.00 115.26 115.43 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 0.35 -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 -3.01 5.99 0.10 6.41 1.11 -1.26 -4.95 116.67 121.07 2msp s ASP 87 Ca 0.44 0.15 -0.16 0.00 0.18 0.00 0.00 52.55 53.16 2msp s ASP 87 Cb 0.40 -1.75 0.03 0.00 1.07 0.00 0.00 42.92 42.67 2msp s ASP 87 CO -0.02 0.18 0.40 -0.60 1.18 0.00 0.00 175.17 176.30 2msp s ARG 88 N -2.41 1.03 -0.12 8.23 3.52 -1.26 -2.91 118.95 125.03 2msp s ARG 88 Ca 0.32 -0.63 0.02 0.00 -0.13 0.00 0.00 55.73 55.30 2msp s ARG 88 Cb -0.13 0.45 0.02 0.00 -1.56 0.00 0.00 34.95 33.73 2msp s ARG 88 CO 0.25 -0.39 -0.15 0.42 -0.81 0.00 0.00 175.30 174.61 2msp s ILE 89 N -3.49 1.54 -0.20 4.11 1.01 0.83 -3.14 121.20 121.87 2msp s ILE 89 Ca 0.01 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 59.95 2msp s ILE 89 Cb 0.01 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 2msp s ILE 89 CO -0.10 0.45 0.01 0.00 0.00 0.00 0.00 174.94 175.30 2msp s ILE 91 N 0.90 2.79 -0.07 0.00 1.01 0.08 -0.02 121.20 125.89 2msp s ILE 91 Ca 0.01 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.92 2msp s ILE 91 Cb -0.14 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 2msp s ILE 91 CO 0.02 0.40 -0.19 -1.61 0.00 0.00 0.00 174.94 173.56 2msp s GLU 92 N 1.37 2.76 0.10 2.79 2.02 -0.21 0.10 118.70 127.64 2msp s GLU 92 Ca 0.04 -0.80 -0.14 0.00 0.02 0.00 0.00 54.97 54.09 2msp s GLU 92 Cb -0.14 -2.34 0.03 0.00 0.10 0.00 0.00 34.13 31.77 2msp s GLU 92 CO -0.07 0.40 0.35 1.67 0.02 0.00 0.00 175.26 177.62 2msp s TRP 93 N -0.17 -0.13 0.18 1.61 -2.14 -0.39 0.15 118.94 118.06 2msp s TRP 93 Ca -0.02 -0.17 -0.15 0.00 2.66 0.00 0.00 56.10 58.42 2msp s TRP 93 Cb -0.14 0.17 0.02 0.00 -3.10 0.00 0.00 33.47 30.42 2msp s TRP 93 CO 0.04 -0.63 0.45 -0.08 -2.66 0.00 0.00 176.95 174.06 2msp s THR 94 N -3.54 0.04 0.89 0.66 -1.32 -0.10 -0.79 115.64 111.48 2msp s THR 94 Ca 0.02 -0.92 -0.12 0.00 -1.21 0.00 0.00 61.69 59.46 2msp s THR 94 Cb 0.02 -1.61 0.12 0.00 -1.51 0.00 0.00 72.50 69.52 2msp s THR 94 CO -0.10 -0.18 1.09 0.20 -2.21 0.00 0.00 174.62 173.42 2msp s ASN 95 N -2.89 3.59 0.07 8.08 -0.87 -1.26 -0.03 114.94 121.63 2msp s ASN 95 Ca 0.11 1.40 0.04 0.00 -1.57 0.00 0.00 52.86 52.84 2msp s ASN 95 Cb 0.00 -2.09 -0.04 0.00 -0.02 0.00 0.00 41.25 39.11 2msp s ASN 95 CO -0.03 -2.55 0.01 0.42 -2.57 0.00 0.00 177.10 172.39 2msp s THR 96 N -2.99 4.13 0.15 1.60 -4.23 -1.23 -4.64 115.64 108.43 2msp s THR 96 Ca 0.63 -0.88 -0.33 0.00 -1.18 0.00 0.00 61.69 59.92 2msp s THR 96 Cb -0.17 -2.95 -0.16 0.00 1.34 0.00 0.00 72.50 70.56 2msp s THR 96 CO 0.56 0.16 1.14 -2.65 -0.54 0.00 0.00 174.62 173.30 2msp n PRO 97 N 0.69 1.02 -0.18 3.99 -0.01 -1.26 -4.78 135.00 134.47 2msp n PRO 97 Ca -0.11 0.36 0.15 0.00 -0.01 0.00 0.00 63.50 63.89 2msp n PRO 97 Cb 0.52 -1.85 0.24 0.00 -0.01 0.00 0.00 33.50 32.40 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 2.02 0.05 -3.46 2.55 8.00 -1.26 -2.01 116.55 122.44 2msp n ASP 98 Ca 0.16 0.43 -0.27 0.00 0.71 0.00 0.00 54.79 55.82 2msp n ASP 98 Cb 0.23 -0.21 -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 -3.39 1.40 0.22 0.44 0.00 -1.26 -5.11 107.32 99.62 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 1.99 0.12 0.00 0.00 0.00 0.00 173.10 175.49 2msp s ALA 100 N -0.07 3.45 -0.08 3.20 0.00 -0.85 -5.10 121.76 122.31 2msp s ALA 100 Ca 0.31 -1.40 -0.06 0.00 0.00 0.00 0.00 51.96 50.81 2msp s ALA 100 Cb 0.01 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 2msp s ALA 100 CO -0.18 0.35 0.17 0.00 0.00 0.00 0.00 175.76 176.10 2msp s ALA 101 N -2.01 3.89 -0.93 0.00 0.00 -1.26 -4.99 121.76 116.46 2msp s ALA 101 Ca 0.31 -0.65 -0.25 0.00 0.00 0.00 0.00 51.96 51.38 2msp s ALA 101 Cb -0.08 -1.97 -0.07 0.00 0.00 0.00 0.00 23.12 20.99 2msp s ALA 101 CO 0.23 0.64 2.01 0.15 0.00 0.00 0.00 175.76 178.79 2msp s LYS 102 N -1.28 2.39 -0.30 0.00 1.02 -1.26 -4.67 119.74 115.64 2msp s LYS 102 Ca 0.19 -0.30 -0.16 0.00 0.02 0.00 0.00 55.97 55.72 2msp s LYS 102 Cb -0.12 -5.05 0.18 0.00 -0.52 0.00 0.00 37.83 32.32 2msp s LYS 102 CO 0.08 -3.64 1.12 -1.14 -0.92 0.00 0.00 175.35 170.85 2msp s GLN 103 N 7.23 0.17 0.29 1.68 0.74 -1.26 -5.05 119.66 123.45 2msp s GLN 103 Ca 0.73 0.41 -0.30 0.00 0.05 0.00 0.00 55.36 56.25 2msp s GLN 103 Cb -0.07 0.25 -0.12 0.00 1.10 0.00 0.00 33.01 34.17 2msp s GLN 103 CO 0.02 -0.08 1.62 0.34 -0.55 0.00 0.00 175.29 176.65 2msp n PHE 104 N 4.89 2.88 -3.89 1.67 7.35 -1.26 -4.98 117.46 124.13 2msp n PHE 104 Ca -0.08 0.22 -0.30 0.00 -0.76 0.00 0.00 57.45 56.53 2msp n PHE 104 Cb 0.54 -2.61 -0.15 0.00 0.35 0.00 0.00 39.48 37.60 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 -0.31 1.23 0.32 -4.13 0.52 -1.26 -5.02 118.95 110.31 2msp s ARG 105 Ca 0.65 -1.28 0.15 0.00 -0.52 0.00 0.00 55.73 54.73 2msp s ARG 105 Cb -0.49 -2.55 1.11 0.00 0.52 0.00 0.00 34.95 33.54 2msp s ARG 105 CO 0.46 -0.85 1.43 -2.13 0.02 0.00 0.00 175.30 174.24 2msp n ARG 106 N 4.61 -0.06 -0.28 3.54 3.00 -1.26 -0.23 116.66 125.98 2msp n ARG 106 Ca -0.03 1.28 0.08 0.00 -0.00 0.00 0.00 57.85 59.17 2msp n ARG 106 Cb 0.43 -2.23 0.20 0.00 0.00 0.00 0.00 32.46 30.85 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 0.09 -1.98 -0.14 3.07 -1.99 -0.23 114.58 113.39 2msp h GLU 107 Ca 0.72 -0.01 0.58 0.00 -0.50 0.00 0.00 59.36 60.16 2msp h GLU 107 Cb 1.85 -0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 29.66 2msp h GLU 107 CO -0.73 0.06 1.42 -1.49 -1.40 0.00 0.00 179.01 176.87 2msp h TRP 108 N 0.09 0.01 0.07 4.33 6.55 -1.03 0.65 115.95 126.63 2msp h TRP 108 Ca 0.47 0.00 -0.21 0.00 0.95 0.00 0.00 58.89 60.09 2msp h TRP 108 Cb 0.86 -0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.15 2msp h TRP 108 CO -0.44 -0.01 -1.10 0.74 -1.05 0.00 0.00 178.44 176.58 2msp h PHE 109 N 0.00 0.27 -0.89 0.49 -1.00 -1.23 -3.34 116.94 111.23 2msp h PHE 109 Ca 0.95 -0.19 0.13 0.00 2.81 0.00 0.00 57.97 61.66 2msp h PHE 109 Cb 3.78 -0.01 -0.09 0.00 3.61 0.00 0.00 35.95 43.25 2msp h PHE 109 CO -0.00 1.43 0.51 1.96 -1.61 0.00 0.00 178.31 180.59 2msp h GLN 110 N -0.59 0.75 0.00 1.51 4.20 0.19 -3.45 115.11 117.73 2msp h GLN 110 Ca -0.25 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.38 2msp h GLN 110 Cb 1.51 -0.17 0.02 0.00 0.30 0.00 0.00 27.48 29.14 2msp h GLN 110 CO -0.01 0.50 -0.02 0.41 -0.67 0.00 0.00 178.83 179.04 2msp n GLY 111 N -1.33 -1.83 3.61 3.46 0.00 0.07 -4.97 105.19 104.21 2msp n GLY 111 Ca 0.17 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 2msp n GLY 111 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2msp s ASP 112 N -1.58 6.29 0.00 1.61 2.15 -1.26 -4.96 116.67 118.91 2msp s ASP 112 Ca 0.06 0.33 0.00 0.00 0.43 0.00 0.00 52.55 53.37 2msp s ASP 112 Cb -0.01 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 2msp s ASP 112 CO 0.05 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.46 2msp n GLY 113 N 4.62 -0.33 3.30 2.66 0.00 -1.26 -4.54 105.19 109.64 2msp n GLY 113 Ca -0.08 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 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 1.88 -0.05 1.61 -1.94 -1.26 -4.84 119.30 112.69 2msp s MET 114 Ca 0.00 -0.96 0.01 0.00 -1.71 0.00 0.00 55.69 53.03 2msp s MET 114 Cb 0.00 -1.91 0.02 0.00 2.01 0.00 0.00 34.83 34.95 2msp s MET 114 CO 0.00 0.51 -0.06 0.08 -0.01 0.00 0.00 175.02 175.54 2msp s VAL 115 N -0.67 0.68 -0.05 -6.03 1.01 -1.26 -4.69 120.40 109.39 2msp s VAL 115 Ca 0.10 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 2msp s VAL 115 Cb -0.10 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2msp s VAL 115 CO 0.00 0.26 0.19 -0.60 0.00 0.00 0.00 175.10 174.96 2msp s ARG 116 N 0.98 3.49 -0.05 2.72 3.52 0.03 -4.97 118.95 124.67 2msp s ARG 116 Ca -0.10 -0.16 0.02 0.00 -0.13 0.00 0.00 55.73 55.36 2msp s ARG 116 Cb -0.14 -3.14 0.01 0.00 -1.56 0.00 0.00 34.95 30.12 2msp s ARG 116 CO 0.00 0.72 -0.10 1.03 -0.81 0.00 0.00 175.30 176.13 2msp s ARG 117 N -1.48 1.36 -0.04 5.12 0.52 -1.26 -1.27 118.95 121.91 2msp s ARG 117 Ca 0.22 -0.33 0.05 0.00 -0.52 0.00 0.00 55.73 55.14 2msp s ARG 117 Cb -0.13 -1.18 -0.00 0.00 0.52 0.00 0.00 34.95 34.16 2msp s ARG 117 CO 0.12 0.03 -0.19 0.21 0.02 0.00 0.00 175.30 175.49 2msp s LYS 118 N 0.59 1.91 -0.14 3.54 2.20 0.12 -4.98 119.74 122.97 2msp s LYS 118 Ca -0.11 -0.67 -0.04 0.00 -0.36 0.00 0.00 55.97 54.79 2msp s LYS 118 Cb -0.14 -1.66 -0.03 0.00 -1.51 0.00 0.00 37.83 34.49 2msp s LYS 118 CO 0.02 0.27 -0.01 -0.80 -0.36 0.00 0.00 175.35 174.48 2msp s ASN 119 N -0.02 5.07 -0.29 1.43 0.01 -1.26 -0.74 114.94 119.14 2msp s ASN 119 Ca -0.03 -0.02 0.03 0.00 -0.71 0.00 0.00 52.86 52.13 2msp s ASN 119 Cb -0.12 -1.72 0.07 0.00 0.41 0.00 0.00 41.25 39.89 2msp s ASN 119 CO 0.02 0.23 -0.04 -0.76 -1.51 0.00 0.00 177.10 175.04 2msp s LEU 120 N 0.02 3.96 0.28 0.60 1.43 0.44 -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 51.29 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 0.77 -2.16 0.23 0.00 0.00 176.35 174.94 2msp s PRO 121 N 1.05 4.19 -0.16 1.29 0.04 -1.26 0.29 135.00 140.44 2msp s PRO 121 Ca -0.02 0.86 -0.16 0.00 0.04 0.00 0.00 61.00 61.72 2msp s PRO 121 Cb -0.20 -2.66 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 2msp s PRO 121 CO -0.06 0.27 0.41 0.42 0.04 0.00 0.00 177.00 178.08 2msp s ILE 122 N -1.74 5.21 -0.24 0.56 1.09 -1.15 -1.62 121.20 123.31 2msp s ILE 122 Ca 0.49 0.77 -0.05 0.00 -1.10 0.00 0.00 60.65 60.77 2msp s ILE 122 Cb -0.14 -3.75 -0.01 0.00 -1.06 0.00 0.00 42.46 37.51 2msp s ILE 122 CO 0.19 0.30 -0.00 -0.70 -0.10 0.00 0.00 174.94 174.63 2msp s GLU 123 N 0.89 3.36 -0.25 2.79 2.12 -0.17 -4.61 118.70 122.83 2msp s GLU 123 Ca 0.21 -0.65 -0.20 0.00 0.36 0.00 0.00 54.97 54.69 2msp s GLU 123 Cb -0.14 -3.12 -0.02 0.00 0.26 0.00 0.00 34.13 31.11 2msp s GLU 123 CO 0.08 -0.24 0.62 0.71 -0.54 0.00 0.00 175.26 175.89 2msp s TYR 124 N 1.50 3.28 -0.32 5.30 2.02 -1.26 -0.30 117.35 127.57 2msp s TYR 124 Ca 0.05 0.81 -0.10 0.00 -0.37 0.00 0.00 57.07 57.46 2msp s TYR 124 Cb -0.15 -2.83 -0.00 0.00 -0.40 0.00 0.00 41.96 38.57 2msp s TYR 124 CO -0.01 -0.32 0.17 1.21 -1.57 0.00 0.00 175.55 175.02 2msp s ASN 125 N 1.47 5.61 0.00 2.29 2.47 0.17 -4.96 114.94 121.98 2msp s ASN 125 Ca 0.26 -0.60 0.26 0.00 0.42 0.00 0.00 52.86 53.20 2msp s ASN 125 Cb -0.15 -2.01 0.69 0.00 -1.45 0.00 0.00 41.25 38.32 2msp s ASN 125 CO 0.08 -0.23 1.54 0.18 -3.72 0.00 0.00 177.10 174.95