#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 2.28 0.31 -3.33 -7.23 -1.26 -5.00 120.40 106.17 2msp s VAL 4 Ca 0.00 -0.99 -0.27 0.00 -1.81 0.00 0.00 61.98 58.91 2msp s VAL 4 Cb 0.00 -1.85 -0.14 0.00 0.56 0.00 0.00 36.38 34.96 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 2.89 1.14 -1.68 4.82 -0.04 -1.26 -4.83 135.00 136.04 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 -1.75 0.06 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.56 2.57 0.76 0.54 0.05 -1.26 -5.01 135.00 131.09 2msp s PRO 6 Ca 0.60 0.64 -0.10 0.00 0.05 0.00 0.00 61.00 62.19 2msp s PRO 6 Cb -0.70 -1.97 0.07 0.00 0.05 0.00 0.00 34.50 31.95 2msp s PRO 6 CO 0.59 -1.28 1.11 0.20 0.05 0.00 0.00 177.00 177.67 2msp s GLY 7 N -4.05 1.63 0.54 0.56 0.00 -1.26 -5.06 107.32 99.69 2msp s GLY 7 Ca 0.59 -0.72 -0.06 0.00 0.00 0.00 0.00 44.72 44.54 2msp s GLY 7 CO 0.54 -0.27 0.85 0.51 0.00 0.00 0.00 173.10 174.72 2msp s ASP 8 N -4.53 5.89 0.30 1.64 1.47 -1.26 -4.77 116.67 115.40 2msp s ASP 8 Ca 0.61 0.81 0.11 0.00 1.18 0.00 0.00 52.55 55.26 2msp s ASP 8 Cb -0.11 -1.94 -0.05 0.00 -0.34 0.00 0.00 42.92 40.48 2msp s ASP 8 CO 0.48 -0.85 -0.17 0.27 0.68 0.00 0.00 175.17 175.58 2msp s ILE 9 N -2.88 2.40 -0.06 2.11 -4.36 -1.26 -1.69 121.20 115.45 2msp s ILE 9 Ca 0.51 -2.34 0.05 0.00 -0.26 0.00 0.00 60.65 58.61 2msp s ILE 9 Cb -0.10 -2.40 -0.02 0.00 1.25 0.00 0.00 42.46 41.18 2msp s ILE 9 CO 0.45 -0.34 -0.21 0.20 0.24 0.00 0.00 174.94 175.28 2msp s ASN 10 N -3.54 3.47 0.12 4.36 0.01 0.72 -4.87 114.94 115.20 2msp s ASN 10 Ca 0.31 -0.39 0.09 0.00 -0.71 0.00 0.00 52.86 52.15 2msp s ASN 10 Cb -0.03 -0.86 -0.04 0.00 0.41 0.00 0.00 41.25 40.73 2msp s ASN 10 CO 0.15 0.28 -0.22 0.42 -1.51 0.00 0.00 177.10 176.22 2msp s THR 11 N -0.33 1.84 -0.17 1.60 -4.23 -1.26 0.13 115.64 113.22 2msp s THR 11 Ca 0.02 -1.64 -0.02 0.00 -1.18 0.00 0.00 61.69 58.87 2msp s THR 11 Cb -0.13 -1.68 0.05 0.00 1.34 0.00 0.00 72.50 72.08 2msp s THR 11 CO 0.02 -0.07 0.01 -1.10 -0.54 0.00 0.00 174.62 172.94 2msp s GLN 12 N -2.07 0.87 1.34 3.99 -0.21 -0.82 -2.30 119.66 120.46 2msp s GLN 12 Ca 0.09 -0.40 -0.22 0.00 0.02 0.00 0.00 55.36 54.85 2msp s GLN 12 Cb -0.09 -1.95 0.34 0.00 1.00 0.00 0.00 33.01 32.31 2msp s GLN 12 CO 0.05 -0.55 0.90 -0.35 -2.12 0.00 0.00 175.29 173.22 2msp n PRO 13 N 5.00 -4.27 -1.65 2.91 -0.04 -1.26 -1.21 135.00 134.48 2msp n PRO 13 Ca -0.09 -1.48 -0.05 0.00 -0.04 0.00 0.00 63.50 61.83 2msp n PRO 13 Cb 0.47 -1.74 0.08 0.00 -0.04 0.00 0.00 33.50 32.28 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 -5.23 4.14 0.00 0.55 0.00 -0.97 -4.82 105.19 98.86 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 -0.59 0.00 -1.95 1.61 7.64 -1.26 -4.97 113.62 114.09 2msp n SER 15 Ca 0.22 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.08 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 -0.58 0.34 -3.67 1.43 2.85 -1.26 -4.25 118.16 113.02 2msp n LYS 16 Ca 0.00 -0.74 -0.08 0.00 -1.05 0.00 0.00 58.31 56.44 2msp n LYS 16 Cb 0.00 0.98 -0.08 0.00 -0.65 0.00 0.00 35.03 35.27 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 -2.41 -0.26 -0.14 0.58 -1.16 -0.44 -4.62 121.20 112.76 2msp s ILE 17 Ca 0.09 0.07 -0.05 0.00 -0.51 0.00 0.00 60.65 60.25 2msp s ILE 17 Cb -0.01 -0.79 -0.04 0.00 0.61 0.00 0.00 42.46 42.23 2msp s ILE 17 CO 0.03 0.03 0.04 -0.69 -2.81 0.00 0.00 174.94 171.54 2msp s VAL 18 N 1.90 4.66 -0.22 4.00 1.01 -1.26 -0.44 120.40 130.05 2msp s VAL 18 Ca -0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 2msp s VAL 18 Cb -0.08 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 2msp s VAL 18 CO -0.16 0.54 -0.03 -0.36 0.00 0.00 0.00 175.10 175.10 2msp s PHE 19 N -0.31 2.98 -0.03 5.22 0.40 0.13 -4.95 117.98 121.42 2msp s PHE 19 Ca 0.08 -0.80 -0.14 0.00 -0.60 0.00 0.00 56.93 55.47 2msp s PHE 19 Cb -0.12 -2.11 -0.05 0.00 0.51 0.00 0.00 43.02 41.25 2msp s PHE 19 CO 0.02 -0.47 0.37 -0.80 0.70 0.00 0.00 175.22 175.04 2msp s ASN 20 N 1.39 6.73 1.18 1.36 0.01 -1.26 0.63 114.94 124.98 2msp s ASN 20 Ca 0.05 0.86 -0.17 0.00 -0.71 0.00 0.00 52.86 52.89 2msp s ASN 20 Cb -0.14 -2.23 0.28 0.00 0.41 0.00 0.00 41.25 39.57 2msp s ASN 20 CO -0.01 0.30 1.06 0.00 -1.51 0.00 0.00 177.10 176.94 2msp s ALA 21 N -0.85 0.31 0.53 0.60 0.00 0.10 -4.71 121.76 117.74 2msp s ALA 21 Ca 0.22 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 51.36 2msp s ALA 21 Cb -0.16 -3.00 -0.07 0.00 0.00 0.00 0.00 23.12 19.90 2msp s ALA 21 CO 0.11 -3.61 0.97 -1.25 0.00 0.00 0.00 175.76 171.98 2msp s PRO 22 N -5.11 3.84 -1.01 0.00 0.04 -1.26 -5.04 135.00 126.46 2msp s PRO 22 Ca 0.69 0.84 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 2msp s PRO 22 Cb -0.15 -2.16 0.30 0.00 0.04 0.00 0.00 34.50 32.54 2msp s PRO 22 CO 0.58 -0.31 1.44 0.66 0.04 0.00 0.00 177.00 179.40 2msp n TYR 23 N -1.83 2.51 -0.17 0.56 4.01 -1.26 -4.54 117.16 116.43 2msp n TYR 23 Ca 0.06 -2.79 0.00 0.00 -0.16 0.00 0.00 57.90 55.01 2msp n TYR 23 Cb 0.54 -1.14 0.00 0.00 -0.31 0.00 0.00 39.34 38.43 2msp n TYR 23 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2msp n ASP 24 N 1.02 1.00 -3.86 7.72 8.00 -1.26 -3.18 116.55 125.98 2msp n ASP 24 Ca 0.30 -1.17 -0.12 0.00 0.71 0.00 0.00 54.79 54.50 2msp n ASP 24 Cb 0.33 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.36 2msp n ASP 24 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2msp s ASP 25 N -0.17 0.35 -0.47 -2.24 2.15 -1.26 -4.89 116.67 110.13 2msp s ASP 25 Ca 0.00 -1.28 -0.27 0.00 0.43 0.00 0.00 52.55 51.43 2msp s ASP 25 Cb 0.00 0.53 0.03 0.00 -0.30 0.00 0.00 42.92 43.18 2msp s ASP 25 CO 0.00 -1.06 1.01 -0.75 -0.17 0.00 0.00 175.17 174.19 2msp s LYS 26 N -3.81 3.59 0.11 4.34 2.20 -1.26 -3.81 119.74 121.09 2msp s LYS 26 Ca 0.32 0.29 -0.09 0.00 -0.36 0.00 0.00 55.97 56.12 2msp s LYS 26 Cb 0.02 -3.93 -0.06 0.00 -1.51 0.00 0.00 37.83 32.36 2msp s LYS 26 CO 0.14 -1.30 0.42 -1.58 -0.36 0.00 0.00 175.35 172.67 2msp s HIS 27 N 4.03 3.55 -0.32 4.03 2.46 -0.69 -4.90 115.29 123.46 2msp s HIS 27 Ca 0.41 0.78 0.02 0.00 0.47 0.00 0.00 55.06 56.74 2msp s HIS 27 Cb -0.09 -2.16 0.09 0.00 -0.13 0.00 0.00 32.58 30.29 2msp s HIS 27 CO 0.28 0.48 0.05 0.99 -2.47 0.00 0.00 174.74 174.07 2msp s THR 28 N -1.48 1.78 0.62 0.89 2.01 -1.26 -1.29 115.64 116.91 2msp s THR 28 Ca 0.36 -1.93 0.01 0.00 0.31 0.00 0.00 61.69 60.44 2msp s THR 28 Cb -0.13 -2.28 0.08 0.00 0.01 0.00 0.00 72.50 70.17 2msp s THR 28 CO 0.19 -0.56 0.87 -0.31 -0.69 0.00 0.00 174.62 174.12 2msp s TYR 29 N 1.17 2.16 0.17 4.92 1.51 0.13 -4.88 117.35 122.53 2msp s TYR 29 Ca 0.08 -0.21 0.06 0.00 -1.01 0.00 0.00 57.07 55.99 2msp s TYR 29 Cb -0.18 -2.79 -0.05 0.00 -0.11 0.00 0.00 41.96 38.83 2msp s TYR 29 CO -0.13 -1.25 -0.11 -1.01 -1.11 0.00 0.00 175.55 171.94 2msp s HIS 30 N -2.90 1.43 0.01 2.71 3.76 -1.26 -0.74 115.29 118.29 2msp s HIS 30 Ca 0.62 -0.70 0.00 0.00 -0.15 0.00 0.00 55.06 54.83 2msp s HIS 30 Cb -0.08 -0.70 -0.01 0.00 1.11 0.00 0.00 32.58 32.90 2msp s HIS 30 CO 0.41 0.18 -0.02 0.42 -0.85 0.00 0.00 174.74 174.88 2msp s ILE 31 N -3.21 0.10 -0.26 0.60 1.01 0.11 -4.65 121.20 114.91 2msp s ILE 31 Ca 0.19 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.40 2msp s ILE 31 Cb 0.01 -0.16 -0.01 0.00 0.01 0.00 0.00 42.46 42.32 2msp s ILE 31 CO 0.03 -0.17 0.04 -0.75 0.00 0.00 0.00 174.94 174.09 2msp s LYS 32 N -0.58 3.40 -0.17 2.79 2.20 -0.35 -0.23 119.74 126.80 2msp s LYS 32 Ca -0.06 -0.64 -0.08 0.00 -0.36 0.00 0.00 55.97 54.84 2msp s LYS 32 Cb -0.04 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 2msp s LYS 32 CO -0.00 -0.27 0.08 0.42 -0.36 0.00 0.00 175.35 175.21 2msp s ILE 33 N 1.54 4.93 -0.05 5.43 1.01 0.17 -1.94 121.20 132.28 2msp s ILE 33 Ca 0.05 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.73 2msp s ILE 33 Cb -0.16 -3.21 0.02 0.00 0.01 0.00 0.00 42.46 39.12 2msp s ILE 33 CO 0.01 0.48 -0.09 -0.89 0.00 0.00 0.00 174.94 174.46 2msp s THR 34 N 0.17 0.86 -0.89 2.92 2.01 0.12 0.09 115.64 120.92 2msp s THR 34 Ca 0.05 -0.32 -0.25 0.00 0.31 0.00 0.00 61.69 61.49 2msp s THR 34 Cb -0.12 -0.82 0.02 0.00 0.01 0.00 0.00 72.50 71.59 2msp s THR 34 CO 0.00 0.29 1.52 0.21 -0.69 0.00 0.00 174.62 175.96 2msp s ASN 35 N 0.76 6.08 0.26 3.53 3.84 -0.40 -0.20 114.94 128.81 2msp s ASN 35 Ca -0.13 -0.90 0.25 0.00 0.21 0.00 0.00 52.86 52.29 2msp s ASN 35 Cb -0.15 -2.56 0.91 0.00 -0.55 0.00 0.00 41.25 38.89 2msp s ASN 35 CO 0.02 -1.88 1.75 0.00 -2.79 0.00 0.00 177.10 174.21 2msp h ALA 36 N 10.56 1.00 -2.05 1.71 0.00 -1.65 0.32 119.26 129.15 2msp h ALA 36 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.51 2msp h ALA 36 Cb 1.03 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 0.09 0.20 0.00 0.00 0.00 179.25 180.88 2msp s GLY 37 N -3.63 1.55 -0.11 0.00 0.00 -1.06 -4.78 107.32 99.29 2msp s GLY 37 Ca 0.07 -0.83 0.15 0.00 0.00 0.00 0.00 44.72 44.12 2msp s GLY 37 CO 0.50 0.04 0.39 0.61 0.00 0.00 0.00 173.10 174.64 2msp n GLY 38 N -0.53 -1.01 3.75 0.20 0.00 -1.26 -4.24 105.19 102.11 2msp n GLY 38 Ca 0.12 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 2.53 1.13 1.61 0.52 -1.26 -4.76 118.95 116.14 2msp s ARG 39 Ca -0.07 -1.38 -0.17 0.00 -0.52 0.00 0.00 55.73 53.59 2msp s ARG 39 Cb 0.07 -2.30 0.14 0.00 0.52 0.00 0.00 34.95 33.38 2msp s ARG 39 CO 0.83 0.22 0.20 0.54 0.02 0.00 0.00 175.30 177.11 2msp n ARG 40 N -1.14 -1.77 -3.69 3.54 1.74 -1.26 -4.47 116.66 109.61 2msp n ARG 40 Ca -0.05 -0.50 -0.10 0.00 -0.77 0.00 0.00 57.85 56.44 2msp n ARG 40 Cb 0.60 -1.79 -0.05 0.00 -1.02 0.00 0.00 32.46 30.19 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 -2.27 0.09 -0.07 0.55 -4.36 -0.49 -3.62 121.20 111.03 2msp s ILE 41 Ca 0.58 -0.72 0.04 0.00 -0.26 0.00 0.00 60.65 60.29 2msp s ILE 41 Cb -0.15 -1.20 0.00 0.00 1.25 0.00 0.00 42.46 42.37 2msp s ILE 41 CO 0.66 -0.40 -0.18 -0.83 0.24 0.00 0.00 174.94 174.43 2msp s GLY 42 N -2.77 1.04 0.05 6.27 0.00 0.32 -1.51 107.32 110.72 2msp s GLY 42 Ca 0.03 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 44.05 2msp s GLY 42 CO -0.11 -0.22 -0.08 0.66 0.00 0.00 0.00 173.10 173.36 2msp s TRP 43 N 0.32 0.70 -0.01 1.90 1.48 0.18 -1.27 118.94 122.23 2msp s TRP 43 Ca -0.12 -0.56 -0.17 0.00 -1.06 0.00 0.00 56.10 54.19 2msp s TRP 43 Cb -0.15 -0.42 0.03 0.00 -1.16 0.00 0.00 33.47 31.77 2msp s TRP 43 CO 0.05 -0.10 0.35 0.00 -4.06 0.00 0.00 176.95 173.19 2msp s ALA 44 N -1.72 -0.89 -0.06 2.67 0.00 0.16 0.26 121.76 122.18 2msp s ALA 44 Ca -0.07 0.41 -0.02 0.00 0.00 0.00 0.00 51.96 52.28 2msp s ALA 44 Cb -0.08 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2msp s ALA 44 CO -0.00 -0.28 0.03 0.42 0.00 0.00 0.00 175.76 175.92 2msp s ILE 45 N -1.41 4.51 -0.03 0.00 -1.09 -0.25 -0.86 121.20 122.08 2msp s ILE 45 Ca -0.13 -0.27 0.02 0.00 -2.23 0.00 0.00 60.65 58.04 2msp s ILE 45 Cb -0.04 -2.95 0.01 0.00 -1.58 0.00 0.00 42.46 37.89 2msp s ILE 45 CO 0.04 0.53 -0.06 -0.75 -1.23 0.00 0.00 174.94 173.47 2msp s LYS 46 N -1.16 0.77 0.31 2.79 2.20 0.15 -4.96 119.74 119.84 2msp s LYS 46 Ca 0.16 -0.17 0.03 0.00 -0.36 0.00 0.00 55.97 55.64 2msp s LYS 46 Cb -0.12 -0.76 0.03 0.00 -1.51 0.00 0.00 37.83 35.48 2msp s LYS 46 CO 0.06 0.01 0.27 0.25 -0.36 0.00 0.00 175.35 175.57 2msp n THR 47 N 3.63 0.00 0.17 3.43 -2.24 -1.26 0.22 114.28 118.23 2msp n THR 47 Ca -0.21 -1.19 0.03 0.00 -2.27 0.00 0.00 64.05 60.41 2msp n THR 47 Cb 0.53 -0.33 0.03 0.00 -2.10 0.00 0.00 70.33 68.47 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 0.21 -3.14 4.28 -1.04 -1.19 -4.79 114.28 107.31 2msp n THR 48 Ca 0.01 -0.60 -0.18 0.00 -2.04 0.00 0.00 64.05 61.23 2msp n THR 48 Cb 0.35 0.99 -0.06 0.00 -1.82 0.00 0.00 70.33 69.79 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 -1.66 0.02 8.00 2.85 -1.26 -4.94 115.26 118.53 2msp n ASN 49 Ca 0.04 -2.60 0.20 0.00 -0.11 0.00 0.00 54.58 52.10 2msp n ASN 49 Cb 0.18 0.37 0.70 0.00 1.24 0.00 0.00 39.78 42.26 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 5.33 0.00 0.04 1.20 2.86 -1.86 0.37 114.93 122.87 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 -0.02 0.00 1.06 0.00 0.00 176.91 178.18 2msp h ARG 51 N 0.00 -0.05 0.00 1.72 3.08 -2.01 -3.39 114.38 113.73 2msp h ARG 51 Ca 0.23 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.22 2msp h ARG 51 Cb 0.95 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 2msp h ARG 51 CO -0.00 0.29 -0.52 -0.09 -1.07 0.00 0.00 179.97 178.57 2msp h ARG 52 N -0.39 0.00 -7.20 0.04 2.43 -1.78 -3.47 114.38 104.00 2msp h ARG 52 Ca -0.01 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.71 2msp h ARG 52 Cb 0.36 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 29.98 2msp h ARG 52 CO 0.01 0.45 0.17 -0.51 -1.51 0.00 0.00 179.97 178.58 2msp s LEU 53 N -8.19 2.92 -0.22 3.80 1.43 0.05 -2.33 118.68 116.14 2msp s LEU 53 Ca -0.16 0.31 -0.26 0.00 -1.03 0.00 0.00 54.13 52.99 2msp s LEU 53 Cb 0.02 -2.98 0.07 0.00 0.03 0.00 0.00 46.19 43.32 2msp s LEU 53 CO 0.36 -1.54 0.70 -0.83 0.23 0.00 0.00 176.35 175.27 2msp s GLY 54 N -4.52 -0.54 0.29 -3.19 0.00 -1.10 -4.62 107.32 93.65 2msp s GLY 54 Ca 0.60 1.83 0.06 0.00 0.00 0.00 0.00 44.72 47.22 2msp s GLY 54 CO 0.43 1.54 -0.04 0.14 0.00 0.00 0.00 173.10 175.17 2msp s VAL 55 N 0.01 1.64 0.00 1.40 1.01 -1.26 -1.43 120.40 121.77 2msp s VAL 55 Ca -0.03 -2.11 0.00 0.00 0.00 0.00 0.00 61.98 59.85 2msp s VAL 55 Cb -0.04 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.81 2msp s VAL 55 CO 0.03 -0.24 0.00 -0.67 0.00 0.00 0.00 175.10 174.22 2msp n ASP 56 N -0.62 0.00 -4.82 3.32 2.03 -1.21 -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 54.93 2msp n ASP 56 Cb 0.64 0.00 -0.04 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 3.88 0.00 -0.67 0.04 -1.26 -1.24 135.00 135.75 2msp s PRO 57 Ca 0.00 1.15 0.28 0.00 0.04 0.00 0.00 61.00 62.47 2msp s PRO 57 Cb 0.00 -2.12 1.02 0.00 0.04 0.00 0.00 34.50 33.44 2msp s PRO 57 CO 0.00 -0.34 1.76 -0.35 0.04 0.00 0.00 177.00 178.11 2msp n PRO 58 N -1.24 0.12 -3.55 0.56 -0.05 -1.26 -4.88 135.00 124.70 2msp n PRO 58 Ca 0.08 -0.04 -0.09 0.00 -0.05 0.00 0.00 63.50 63.40 2msp n PRO 58 Cb 0.53 -1.50 -0.03 0.00 -0.05 0.00 0.00 33.50 32.45 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 -2.90 -0.34 0.04 3.54 1.04 -1.26 -1.09 113.70 112.72 2msp s SER 59 Ca 0.16 0.19 -0.10 0.00 0.48 0.00 0.00 55.95 56.68 2msp s SER 59 Cb 0.19 0.32 0.03 0.00 0.10 0.00 0.00 66.02 66.66 2msp s SER 59 CO 0.57 -0.44 0.47 0.61 0.98 0.00 0.00 173.24 175.43 2msp n GLY 60 N 0.24 0.77 3.27 7.32 0.00 0.14 -4.92 105.19 112.00 2msp n GLY 60 Ca -0.08 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.24 2.00 -0.05 1.61 1.01 -1.26 0.47 120.40 121.94 2msp s VAL 61 Ca 0.11 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2msp s VAL 61 Cb -0.01 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.71 2msp s VAL 61 CO 0.01 0.56 -0.05 -0.76 0.00 0.00 0.00 175.10 174.86 2msp s LEU 62 N -0.26 1.27 0.00 3.92 1.02 -0.57 -4.97 118.68 119.10 2msp s LEU 62 Ca -0.00 -0.15 -0.04 0.00 0.02 0.00 0.00 54.13 53.96 2msp s LEU 62 Cb -0.13 -0.50 0.06 0.00 0.02 0.00 0.00 46.19 45.65 2msp s LEU 62 CO 0.02 -0.06 0.21 0.47 0.02 0.00 0.00 176.35 177.01 2msp n ASP 63 N 4.18 -1.38 -4.83 2.29 8.00 -1.26 -1.40 116.55 122.15 2msp n ASP 63 Ca -0.22 -0.57 -0.34 0.00 0.71 0.00 0.00 54.79 54.37 2msp n ASP 63 Cb 0.51 -0.20 -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 -3.49 4.18 0.00 -0.24 0.04 -1.26 -3.36 135.00 130.87 2msp s PRO 64 Ca 0.14 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2msp s PRO 64 Cb -0.02 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.97 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 -0.00 0.00 -4.88 6.66 7.64 0.11 -4.95 113.62 118.20 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 -1.67 0.02 0.00 -1.01 0.00 0.00 64.21 62.07 2msp n SER 65 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2msp s GLU 66 N -0.64 3.36 0.06 1.43 2.12 -1.21 -4.79 118.70 119.02 2msp s GLU 66 Ca 0.00 0.57 -0.07 0.00 0.36 0.00 0.00 54.97 55.83 2msp s GLU 66 Cb 0.00 -2.11 -0.01 0.00 0.26 0.00 0.00 34.13 32.28 2msp s GLU 66 CO 0.00 -0.66 0.15 -1.59 -0.54 0.00 0.00 175.26 172.62 2msp s LYS 67 N -5.17 0.72 0.04 4.30 -2.85 -1.26 -1.28 119.74 114.25 2msp s LYS 67 Ca 0.55 -0.85 -0.03 0.00 -1.00 0.00 0.00 55.97 54.64 2msp s LYS 67 Cb -0.11 0.29 -0.03 0.00 -2.06 0.00 0.00 37.83 35.93 2msp s LYS 67 CO 0.52 -0.21 0.02 0.54 0.10 0.00 0.00 175.35 176.32 2msp s VAL 68 N -3.24 0.17 -0.31 1.79 0.11 0.11 -4.97 120.40 114.06 2msp s VAL 68 Ca 0.00 -1.37 0.02 0.00 -2.93 0.00 0.00 61.98 57.70 2msp s VAL 68 Cb 0.02 -1.05 0.08 0.00 -1.53 0.00 0.00 36.38 33.90 2msp s VAL 68 CO -0.08 -0.76 0.00 -0.22 -3.33 0.00 0.00 175.10 170.72 2msp s LEU 69 N -2.37 4.20 0.12 2.54 2.96 -1.26 0.42 118.68 125.30 2msp s LEU 69 Ca -0.02 -1.70 0.05 0.00 -0.22 0.00 0.00 54.13 52.24 2msp s LEU 69 Cb 0.01 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 2msp s LEU 69 CO -0.07 -0.31 0.06 0.00 -1.32 0.00 0.00 176.35 174.71 2msp s MET 70 N 1.07 2.70 -0.26 1.98 0.23 0.68 -4.76 119.30 120.94 2msp s MET 70 Ca 0.00 -0.86 -0.09 0.00 -1.03 0.00 0.00 55.69 53.72 2msp s MET 70 Cb -0.20 -2.58 -0.04 0.00 -1.53 0.00 0.00 34.83 30.48 2msp s MET 70 CO -0.05 0.52 0.13 0.00 -2.03 0.00 0.00 175.02 173.58 2msp s ALA 71 N -1.52 3.34 -0.03 3.16 0.00 -0.37 0.05 121.76 126.38 2msp s ALA 71 Ca 0.28 -1.10 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 2msp s ALA 71 Cb -0.11 -2.27 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 2msp s ALA 71 CO 0.21 -0.51 0.40 0.08 0.00 0.00 0.00 175.76 175.94 2msp s VAL 72 N 1.66 5.09 0.24 0.00 1.01 0.08 -3.32 120.40 125.16 2msp s VAL 72 Ca 0.07 0.81 0.10 0.00 0.00 0.00 0.00 61.98 62.95 2msp s VAL 72 Cb -0.15 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2msp s VAL 72 CO 0.07 0.53 -0.09 -0.44 0.00 0.00 0.00 175.10 175.17 2msp s SER 73 N -0.71 4.16 -0.13 3.32 0.01 -0.51 0.18 113.70 120.01 2msp s SER 73 Ca 0.23 -0.73 -0.04 0.00 1.31 0.00 0.00 55.95 56.73 2msp s SER 73 Cb -0.16 -0.64 0.06 0.00 0.21 0.00 0.00 66.02 65.49 2msp s SER 73 CO 0.12 0.05 0.17 0.00 0.41 0.00 0.00 173.24 173.99 2msp s ASP 75 N 2.29 4.66 0.89 0.00 2.15 -0.99 -1.71 116.67 123.97 2msp s ASP 75 Ca 0.04 0.83 -0.10 0.00 0.43 0.00 0.00 52.55 53.74 2msp s ASP 75 Cb -0.14 -1.37 0.13 0.00 -0.30 0.00 0.00 42.92 41.25 2msp s ASP 75 CO -0.08 -1.81 1.13 0.42 -0.17 0.00 0.00 175.17 174.66 2msp s THR 76 N -3.53 2.33 0.00 1.71 -4.23 -1.25 -4.87 115.64 105.80 2msp s THR 76 Ca 0.61 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 61.23 2msp s THR 76 Cb -0.11 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.49 2msp s THR 76 CO 0.49 -0.14 0.00 2.22 -0.54 0.00 0.00 174.62 176.65 2msp n PHE 77 N -4.11 0.00 -3.39 3.99 -1.74 -1.19 -5.03 117.46 105.99 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 0.46 0.00 5.98 2.85 -1.26 -4.85 115.26 118.43 2msp n ASN 78 Ca 0.00 -2.66 0.00 0.00 -0.11 0.00 0.00 54.58 51.81 2msp n ASN 78 Cb 0.00 -0.61 0.00 0.00 1.24 0.00 0.00 39.78 40.41 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 2.12 0.00 -0.07 5.20 0.00 -1.26 0.14 120.51 126.64 2msp n ALA 79 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.60 2msp n ALA 79 Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 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 0.00 0.03 0.12 0.00 0.00 -2.01 -3.40 119.26 114.00 2msp h ALA 80 Ca 0.00 -0.41 -0.28 0.00 0.00 0.00 0.00 54.91 54.22 2msp h ALA 80 Cb 0.79 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2msp h ALA 80 CO 0.00 0.09 -1.28 1.79 0.00 0.00 0.00 179.25 179.86 2msp h THR 81 N -1.00 1.46 -2.35 0.00 1.35 -0.73 -3.48 112.91 108.16 2msp h THR 81 Ca -0.03 -3.04 -0.45 0.00 -0.55 0.00 0.00 66.41 62.34 2msp h THR 81 Cb 0.69 2.92 0.06 0.00 -1.73 0.00 0.00 68.15 70.09 2msp h THR 81 CO -0.02 0.88 0.01 -1.61 -0.25 0.00 0.00 175.52 174.53 2msp s GLU 82 N -2.65 2.28 0.29 4.72 2.02 -1.13 -5.08 118.70 119.15 2msp s GLU 82 Ca -0.04 -0.91 -0.21 0.00 0.02 0.00 0.00 54.97 53.83 2msp s GLU 82 Cb 0.07 -2.45 -0.09 0.00 0.10 0.00 0.00 34.13 31.76 2msp s GLU 82 CO 0.88 -0.93 0.81 0.34 0.02 0.00 0.00 175.26 176.37 2msp s ASP 83 N -4.53 7.07 0.00 -0.19 -1.08 -1.26 -4.89 116.67 111.79 2msp s ASP 83 Ca 0.60 1.53 0.00 0.00 -0.52 0.00 0.00 52.55 54.16 2msp s ASP 83 Cb -0.09 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 2msp s ASP 83 CO 0.40 -0.08 0.44 0.18 0.52 0.00 0.00 175.17 176.63 2msp n LEU 84 N 0.33 0.41 -0.13 -1.34 4.32 -1.26 -4.76 117.00 114.57 2msp n LEU 84 Ca 0.01 -0.41 0.10 0.00 -0.02 0.00 0.00 56.01 55.69 2msp n LEU 84 Cb 0.51 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.23 2msp n LEU 84 CO 0.42 0.10 0.05 0.59 -1.22 0.00 0.00 177.39 177.33 2msp n ASN 85 N -0.08 1.25 -1.24 -1.43 5.03 -1.26 -4.52 115.26 113.02 2msp n ASN 85 Ca 0.00 -1.13 -0.07 0.00 0.87 0.00 0.00 54.58 54.25 2msp n ASN 85 Cb 0.34 0.86 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 -1.08 3.02 -4.84 6.41 3.02 -1.26 -5.00 115.26 115.53 2msp n ASN 86 Ca 0.05 -3.83 -0.31 0.00 -0.03 0.00 0.00 54.58 50.47 2msp n ASN 86 Cb 0.36 -0.56 -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 -2.96 5.91 0.09 6.41 1.11 -1.26 -4.93 116.67 121.05 2msp s ASP 87 Ca 0.45 0.12 -0.17 0.00 0.18 0.00 0.00 52.55 53.13 2msp s ASP 87 Cb 0.40 -1.71 0.04 0.00 1.07 0.00 0.00 42.92 42.72 2msp s ASP 87 CO -0.02 0.18 0.42 -0.60 1.18 0.00 0.00 175.17 176.32 2msp s ARG 88 N -2.42 1.02 -0.12 8.23 3.52 -1.26 -2.98 118.95 124.94 2msp s ARG 88 Ca 0.32 -0.56 0.01 0.00 -0.13 0.00 0.00 55.73 55.37 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 0.24 -0.38 -0.15 0.42 -0.81 0.00 0.00 175.30 174.62 2msp s ILE 89 N -3.28 1.54 -0.19 4.11 1.01 0.53 -3.17 121.20 121.76 2msp s ILE 89 Ca -0.00 -0.65 -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 41.04 2msp s ILE 89 CO -0.08 0.45 -0.01 0.00 0.00 0.00 0.00 174.94 175.30 2msp s ILE 91 N 0.81 2.83 -0.07 0.00 1.01 0.38 0.29 121.20 126.45 2msp s ILE 91 Ca 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.02 2msp s ILE 91 Cb -0.14 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 2msp s ILE 91 CO 0.02 0.47 -0.22 -1.61 0.00 0.00 0.00 174.94 173.60 2msp s GLU 92 N 1.38 2.69 0.10 2.79 2.02 -0.04 -0.22 118.70 127.41 2msp s GLU 92 Ca 0.05 -0.85 -0.13 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 31.86 2msp s GLU 92 CO -0.07 0.37 0.31 1.67 0.02 0.00 0.00 175.26 177.56 2msp s TRP 93 N -0.12 -0.06 0.18 1.61 -2.14 -0.23 0.39 118.94 118.57 2msp s TRP 93 Ca -0.04 -0.26 -0.15 0.00 2.66 0.00 0.00 56.10 58.30 2msp s TRP 93 Cb -0.14 0.11 0.02 0.00 -3.10 0.00 0.00 33.47 30.36 2msp s TRP 93 CO 0.04 -0.61 0.46 -0.08 -2.66 0.00 0.00 176.95 174.10 2msp s THR 94 N -3.58 0.04 0.86 0.66 -1.32 -0.39 -0.69 115.64 111.21 2msp s THR 94 Ca 0.02 -0.92 -0.11 0.00 -1.21 0.00 0.00 61.69 59.47 2msp s THR 94 Cb 0.02 -1.62 0.11 0.00 -1.51 0.00 0.00 72.50 69.51 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 3.78 0.06 8.08 -0.87 -1.26 -0.52 114.94 121.31 2msp s ASN 95 Ca 0.11 1.51 0.03 0.00 -1.57 0.00 0.00 52.86 52.93 2msp s ASN 95 Cb 0.00 -2.20 -0.04 0.00 -0.02 0.00 0.00 41.25 38.99 2msp s ASN 95 CO -0.03 -2.45 0.06 0.42 -2.57 0.00 0.00 177.10 172.53 2msp s THR 96 N -2.96 4.44 0.11 1.60 -4.23 -1.24 -4.66 115.64 108.69 2msp s THR 96 Ca 0.63 -0.72 -0.36 0.00 -1.18 0.00 0.00 61.69 60.06 2msp s THR 96 Cb -0.17 -3.10 -0.17 0.00 1.34 0.00 0.00 72.50 70.40 2msp s THR 96 CO 0.56 0.19 1.25 -2.65 -0.54 0.00 0.00 174.62 173.43 2msp n PRO 97 N 0.71 1.03 -0.16 3.99 -0.01 -1.26 -4.76 135.00 134.54 2msp n PRO 97 Ca -0.10 0.37 0.13 0.00 -0.01 0.00 0.00 63.50 63.88 2msp n PRO 97 Cb 0.52 -1.94 0.20 0.00 -0.01 0.00 0.00 33.50 32.27 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 2.26 0.04 -3.44 2.55 8.00 -1.26 -1.86 116.55 122.85 2msp n ASP 98 Ca 0.17 0.34 -0.27 0.00 0.71 0.00 0.00 54.79 55.75 2msp n ASP 98 Cb 0.20 -0.17 -0.10 0.00 -0.02 0.00 0.00 41.12 41.03 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 -3.31 1.34 0.21 0.44 0.00 -1.26 -5.11 107.32 99.63 2msp s GLY 99 Ca -0.02 -2.56 0.07 0.00 0.00 0.00 0.00 44.72 42.21 2msp s GLY 99 CO 0.23 2.04 0.11 0.00 0.00 0.00 0.00 173.10 175.48 2msp s ALA 100 N -0.05 3.44 -0.14 3.20 0.00 -0.78 -5.09 121.76 122.34 2msp s ALA 100 Ca 0.32 -1.38 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 2msp s ALA 100 Cb 0.03 -1.18 -0.05 0.00 0.00 0.00 0.00 23.12 21.92 2msp s ALA 100 CO -0.19 0.37 0.20 0.00 0.00 0.00 0.00 175.76 176.14 2msp s ALA 101 N -1.97 3.73 -0.89 0.00 0.00 -1.26 -4.97 121.76 116.40 2msp s ALA 101 Ca 0.31 -0.56 -0.26 0.00 0.00 0.00 0.00 51.96 51.45 2msp s ALA 101 Cb -0.09 -2.18 -0.15 0.00 0.00 0.00 0.00 23.12 20.70 2msp s ALA 101 CO 0.22 0.34 2.28 0.15 0.00 0.00 0.00 175.76 178.76 2msp s LYS 102 N -0.26 1.59 -0.30 0.00 1.02 -1.26 -4.61 119.74 115.92 2msp s LYS 102 Ca 0.14 0.13 -0.17 0.00 0.02 0.00 0.00 55.97 56.10 2msp s LYS 102 Cb -0.12 -4.87 0.18 0.00 -0.52 0.00 0.00 37.83 32.49 2msp s LYS 102 CO 0.03 -4.64 1.11 -1.14 -0.92 0.00 0.00 175.35 169.80 2msp s GLN 103 N 8.56 0.18 0.28 1.68 0.74 -1.26 -5.05 119.66 124.79 2msp s GLN 103 Ca 0.87 0.45 -0.30 0.00 0.05 0.00 0.00 55.36 56.43 2msp s GLN 103 Cb -0.10 0.27 -0.11 0.00 1.10 0.00 0.00 33.01 34.16 2msp s GLN 103 CO 0.10 -0.08 1.60 0.12 -0.55 0.00 0.00 175.29 176.49 2msp s PHE 104 N 2.35 2.77 -0.30 1.67 5.36 -1.26 -4.98 117.98 123.58 2msp s PHE 104 Ca -0.01 0.74 0.01 0.00 -0.96 0.00 0.00 56.93 56.71 2msp s PHE 104 Cb -0.04 -4.07 0.09 0.00 -0.34 0.00 0.00 43.02 38.65 2msp s PHE 104 CO -0.16 -3.65 0.04 1.03 -1.46 0.00 0.00 175.22 171.02 2msp s ARG 105 N -0.36 1.20 0.31 10.12 0.52 -1.26 -5.02 118.95 124.47 2msp s ARG 105 Ca 0.64 -1.30 0.14 0.00 -0.52 0.00 0.00 55.73 54.69 2msp s ARG 105 Cb -0.48 -2.55 1.04 0.00 0.52 0.00 0.00 34.95 33.48 2msp s ARG 105 CO 0.47 -0.86 1.36 -2.13 0.02 0.00 0.00 175.30 174.16 2msp n ARG 106 N 4.61 -0.06 -0.29 3.54 3.00 -1.26 -0.17 116.66 126.04 2msp n ARG 106 Ca -0.03 1.22 0.11 0.00 -0.00 0.00 0.00 57.85 59.15 2msp n ARG 106 Cb 0.43 -2.12 0.25 0.00 0.00 0.00 0.00 32.46 31.01 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 -1.89 -0.14 3.07 -1.99 0.21 114.58 114.01 2msp h GLU 107 Ca 0.68 -0.01 0.55 0.00 -0.50 0.00 0.00 59.36 60.08 2msp h GLU 107 Cb 1.72 -0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 29.52 2msp h GLU 107 CO -0.70 0.11 1.36 -1.49 -1.40 0.00 0.00 179.01 176.88 2msp h TRP 108 N 0.17 0.00 0.07 4.33 6.55 -0.98 0.66 115.95 126.75 2msp h TRP 108 Ca 0.51 0.00 -0.21 0.00 0.95 0.00 0.00 58.89 60.14 2msp h TRP 108 Cb 1.01 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.30 2msp h TRP 108 CO -0.32 0.00 -1.10 0.74 -1.05 0.00 0.00 178.44 176.71 2msp h PHE 109 N 0.00 0.27 -0.54 0.49 -1.00 -1.15 -3.37 116.94 111.65 2msp h PHE 109 Ca 0.90 -0.20 0.10 0.00 2.81 0.00 0.00 57.97 61.58 2msp h PHE 109 Cb 3.61 -0.01 -0.08 0.00 3.61 0.00 0.00 35.95 43.08 2msp h PHE 109 CO 0.00 1.43 0.09 1.96 -1.61 0.00 0.00 178.31 180.18 2msp h GLN 110 N -0.59 0.22 -5.94 1.51 4.20 0.31 -3.45 115.11 111.37 2msp h GLN 110 Ca -0.25 -0.01 -0.19 0.00 0.06 0.00 0.00 58.65 58.25 2msp h GLN 110 Cb 1.52 -0.05 0.11 0.00 0.30 0.00 0.00 27.48 29.36 2msp h GLN 110 CO -0.01 0.14 -0.19 0.41 -0.67 0.00 0.00 178.83 178.52 2msp n GLY 111 N -1.30 -2.40 3.82 3.46 0.00 -0.64 -4.94 105.19 103.19 2msp n GLY 111 Ca 0.07 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 2msp n GLY 111 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2msp s ASP 112 N -1.95 7.05 0.00 1.61 1.47 -1.26 -4.97 116.67 118.61 2msp s ASP 112 Ca 0.33 1.35 0.00 0.00 1.18 0.00 0.00 52.55 55.41 2msp s ASP 112 Cb -0.06 -2.39 0.00 0.00 -0.34 0.00 0.00 42.92 40.13 2msp s ASP 112 CO 0.29 0.10 0.00 0.61 0.68 0.00 0.00 175.17 176.85 2msp n GLY 113 N 0.96 -0.11 3.57 2.12 0.00 -1.26 -4.80 105.19 105.66 2msp n GLY 113 Ca -0.04 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 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 2.91 -0.05 1.61 -1.94 -1.26 -4.95 119.30 113.62 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 -2.64 0.02 0.00 2.01 0.00 0.00 34.83 34.22 2msp s MET 114 CO 0.00 0.59 -0.06 0.08 -0.01 0.00 0.00 175.02 175.62 2msp s VAL 115 N -0.60 0.69 0.09 -6.03 1.01 -1.26 -4.68 120.40 109.61 2msp s VAL 115 Ca 0.09 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2msp s VAL 115 Cb -0.12 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2msp s VAL 115 CO 0.02 0.26 0.19 -0.60 0.00 0.00 0.00 175.10 174.97 2msp s ARG 116 N 0.88 3.29 0.05 2.72 3.52 0.13 -4.97 118.95 124.57 2msp s ARG 116 Ca -0.11 -0.55 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 2msp s ARG 116 Cb -0.15 -2.93 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 2msp s ARG 116 CO 0.01 0.57 -0.05 1.03 -0.81 0.00 0.00 175.30 176.05 2msp s ARG 117 N -2.67 0.56 -0.09 5.12 0.52 -1.26 -1.07 118.95 120.07 2msp s ARG 117 Ca 0.33 -0.95 -0.06 0.00 -0.52 0.00 0.00 55.73 54.53 2msp s ARG 117 Cb -0.12 -0.06 0.03 0.00 0.52 0.00 0.00 34.95 35.32 2msp s ARG 117 CO 0.27 -0.03 0.22 0.21 0.02 0.00 0.00 175.30 175.99 2msp s LYS 118 N -2.56 0.21 -0.14 3.54 2.20 0.69 -4.99 119.74 118.70 2msp s LYS 118 Ca -0.03 0.41 -0.03 0.00 -0.36 0.00 0.00 55.97 55.96 2msp s LYS 118 Cb -0.03 -0.02 -0.03 0.00 -1.51 0.00 0.00 37.83 36.24 2msp s LYS 118 CO -0.03 -0.10 -0.03 -0.80 -0.36 0.00 0.00 175.35 174.03 2msp s ASN 119 N 0.74 4.92 -0.29 1.43 0.01 -1.26 -0.47 114.94 120.02 2msp s ASN 119 Ca -0.05 -0.05 0.03 0.00 -0.71 0.00 0.00 52.86 52.08 2msp s ASN 119 Cb -0.07 -1.68 0.07 0.00 0.41 0.00 0.00 41.25 39.99 2msp s ASN 119 CO -0.04 0.23 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.96 2msp s LEU 120 N 0.02 3.89 0.30 0.60 1.43 0.06 -4.85 118.68 120.14 2msp s LEU 120 Ca 0.01 -1.66 -0.19 0.00 -1.03 0.00 0.00 54.13 51.26 2msp s LEU 120 Cb -0.13 -1.57 -0.09 0.00 0.03 0.00 0.00 46.19 44.42 2msp s LEU 120 CO 0.02 -0.25 0.79 -2.16 0.23 0.00 0.00 176.35 174.98 2msp s PRO 121 N 1.03 4.22 -0.16 1.29 0.04 -1.26 0.20 135.00 140.36 2msp s PRO 121 Ca -0.02 0.91 -0.17 0.00 0.04 0.00 0.00 61.00 61.76 2msp s PRO 121 Cb -0.20 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 2msp s PRO 121 CO -0.06 0.24 0.44 0.42 0.04 0.00 0.00 177.00 178.07 2msp s ILE 122 N -1.78 5.20 -0.24 0.56 1.09 -1.16 -1.32 121.20 123.54 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 0.29 0.00 -0.70 -0.10 0.00 0.00 174.94 174.63 2msp s GLU 123 N 0.93 3.43 -0.26 2.79 2.12 0.42 -4.61 118.70 123.52 2msp s GLU 123 Ca 0.22 -0.61 -0.20 0.00 0.36 0.00 0.00 54.97 54.75 2msp s GLU 123 Cb -0.15 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 31.08 2msp s GLU 123 CO 0.09 -0.22 0.63 0.71 -0.54 0.00 0.00 175.26 175.92 2msp s TYR 124 N 1.52 3.27 -0.31 5.30 2.02 -1.26 0.23 117.35 128.12 2msp s TYR 124 Ca 0.06 0.79 -0.10 0.00 -0.37 0.00 0.00 57.07 57.44 2msp s TYR 124 Cb -0.15 -2.86 -0.01 0.00 -0.40 0.00 0.00 41.96 38.55 2msp s TYR 124 CO -0.01 -0.34 0.16 1.21 -1.57 0.00 0.00 175.55 175.00 2msp s ASN 125 N 1.49 5.58 0.00 2.29 2.47 0.21 -4.95 114.94 122.03 2msp s ASN 125 Ca 0.26 -0.50 0.26 0.00 0.42 0.00 0.00 52.86 53.29 2msp s ASN 125 Cb -0.15 -2.01 0.54 0.00 -1.45 0.00 0.00 41.25 38.18 2msp s ASN 125 CO 0.09 -0.19 1.46 0.18 -3.72 0.00 0.00 177.10 174.92