#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3msp n GLN 2 N 0.00 0.00 0.00 0.00 1.13 -1.26 -4.99 117.38 112.26 3msp n GLN 2 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3msp n GLN 2 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3msp n GLN 2 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3msp n SER 3 N -3.48 0.00 -2.86 1.08 7.64 -1.26 -4.56 113.62 110.18 3msp n SER 3 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 3msp n SER 3 Cb 0.00 0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.23 3msp n SER 3 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3msp n VAL 4 N -1.06 -3.31 -2.38 0.44 0.24 -1.26 -2.40 118.33 108.60 3msp n VAL 4 Ca 0.00 0.57 -0.42 0.00 -2.04 0.00 0.00 64.34 62.45 3msp n VAL 4 Cb 0.00 -3.20 -0.03 0.00 -1.47 0.00 0.00 33.84 29.15 3msp n VAL 4 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3msp s PRO 5 N -0.13 4.39 0.35 7.34 0.04 -1.26 -3.98 135.00 141.74 3msp s PRO 5 Ca -0.05 1.80 -0.27 0.00 0.04 0.00 0.00 61.00 62.51 3msp s PRO 5 Cb 0.00 -3.41 -0.12 0.00 0.04 0.00 0.00 34.50 31.01 3msp s PRO 5 CO 0.14 -0.35 1.24 -2.30 0.04 0.00 0.00 177.00 175.76 3msp n PRO 6 N 4.40 1.97 -1.82 0.56 -0.02 -1.26 -4.89 135.00 133.93 3msp n PRO 6 Ca 0.10 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.86 3msp n PRO 6 Cb 0.46 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3msp n PRO 6 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3msp s GLY 7 N -0.40 1.73 0.08 -1.23 0.00 -1.26 -4.88 107.32 101.35 3msp s GLY 7 Ca 0.57 1.51 -0.36 0.00 0.00 0.00 0.00 44.72 46.44 3msp s GLY 7 CO 0.61 2.64 1.49 1.22 0.00 0.00 0.00 173.10 179.06 3msp n ASP 8 N 3.16 2.33 -4.83 1.64 8.00 -1.26 -4.28 116.55 121.33 3msp n ASP 8 Ca 0.12 1.09 -0.35 0.00 0.71 0.00 0.00 54.79 56.36 3msp n ASP 8 Cb 0.37 -1.28 -0.07 0.00 -0.02 0.00 0.00 41.12 40.12 3msp n ASP 8 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3msp s ILE 9 N 1.05 5.08 0.46 0.53 -5.25 -1.26 -3.46 121.20 118.35 3msp s ILE 9 Ca 0.84 -0.12 -0.21 0.00 -0.99 0.00 0.00 60.65 60.17 3msp s ILE 9 Cb -0.85 -3.27 -0.10 0.00 2.95 0.00 0.00 42.46 41.20 3msp s ILE 9 CO 0.45 0.48 1.00 0.20 -1.79 0.00 0.00 174.94 175.28 3msp s ASN 10 N -1.40 6.61 0.01 4.36 0.01 -0.65 -4.86 114.94 119.02 3msp s ASN 10 Ca 0.20 1.82 -0.03 0.00 -0.71 0.00 0.00 52.86 54.13 3msp s ASN 10 Cb -0.12 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 38.98 3msp s ASN 10 CO 0.10 -0.59 0.05 0.42 -1.51 0.00 0.00 177.10 175.56 3msp s THR 11 N -2.07 0.10 -0.25 1.60 -4.23 -1.25 -2.11 115.64 107.42 3msp s THR 11 Ca 0.65 -0.81 -0.02 0.00 -1.18 0.00 0.00 61.69 60.32 3msp s THR 11 Cb -0.13 -0.35 0.12 0.00 1.34 0.00 0.00 72.50 73.48 3msp s THR 11 CO 0.17 -0.45 0.26 -1.10 -0.54 0.00 0.00 174.62 172.96 3msp s GLN 12 N -1.44 0.26 0.86 3.99 -1.52 0.19 -2.66 119.66 119.34 3msp s GLN 12 Ca -0.15 0.01 -0.10 0.00 -1.95 0.00 0.00 55.36 53.16 3msp s GLN 12 Cb -0.09 -0.89 0.11 0.00 -0.22 0.00 0.00 33.01 31.92 3msp s GLN 12 CO 0.00 -0.86 1.13 -1.25 -0.25 0.00 0.00 175.29 174.06 3msp s PRO 13 N 2.34 1.46 -0.01 2.91 0.04 -1.26 -2.09 135.00 138.38 3msp s PRO 13 Ca 0.09 1.42 0.09 0.00 0.04 0.00 0.00 61.00 62.64 3msp s PRO 13 Cb -0.15 -1.79 -0.14 0.00 0.04 0.00 0.00 34.50 32.47 3msp s PRO 13 CO -0.24 -2.28 0.24 0.43 0.04 0.00 0.00 177.00 175.18 3msp n SER 14 N -3.97 2.42 -0.10 6.66 7.64 -1.09 -4.74 113.62 120.43 3msp n SER 14 Ca 0.11 -0.13 -0.19 0.00 1.01 0.00 0.00 58.87 59.68 3msp n SER 14 Cb 0.52 1.36 -0.08 0.00 -1.01 0.00 0.00 64.21 65.00 3msp n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3msp n GLN 15 N -1.72 0.43 -3.76 1.43 6.02 -1.26 -4.95 117.38 113.57 3msp n GLN 15 Ca -0.01 0.16 -0.00 0.00 -0.01 0.00 0.00 57.00 57.14 3msp n GLN 15 Cb 0.23 -1.26 0.02 0.00 1.02 0.00 0.00 30.24 30.25 3msp n GLN 15 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 3msp n LYS 16 N -3.61 0.38 -4.15 -1.09 2.85 -1.26 -4.28 118.16 106.99 3msp n LYS 16 Ca -0.37 -1.04 -0.16 0.00 -1.05 0.00 0.00 58.31 55.69 3msp n LYS 16 Cb 0.80 1.51 -0.15 0.00 -0.65 0.00 0.00 35.03 36.55 3msp n LYS 16 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 3msp s ILE 17 N -2.06 0.41 -0.48 0.58 2.07 -1.05 -4.62 121.20 116.06 3msp s ILE 17 Ca 0.24 -0.20 0.04 0.00 -1.41 0.00 0.00 60.65 59.32 3msp s ILE 17 Cb -0.02 -0.36 0.13 0.00 0.13 0.00 0.00 42.46 42.34 3msp s ILE 17 CO 0.02 0.13 0.23 -0.69 -1.91 0.00 0.00 174.94 172.71 3msp s VAL 18 N 0.01 2.31 -0.42 4.00 1.01 -1.26 -0.35 120.40 125.70 3msp s VAL 18 Ca 0.00 -3.02 -0.27 0.00 0.00 0.00 0.00 61.98 58.69 3msp s VAL 18 Cb -0.04 -2.62 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 3msp s VAL 18 CO -0.00 -0.79 2.37 0.49 0.00 0.00 0.00 175.10 177.17 3msp n PHE 19 N 3.37 1.57 -2.30 5.22 3.01 -0.18 -4.69 117.46 123.47 3msp n PHE 19 Ca 0.05 0.05 -0.41 0.00 1.01 0.00 0.00 57.45 58.16 3msp n PHE 19 Cb 0.34 -2.66 -0.03 0.00 -0.01 0.00 0.00 39.48 37.11 3msp n PHE 19 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3msp s ASN 20 N 11.22 7.02 1.14 4.37 2.47 -1.26 -2.31 114.94 137.58 3msp s ASN 20 Ca 0.99 2.43 -0.12 0.00 0.42 0.00 0.00 52.86 56.57 3msp s ASN 20 Cb -0.22 -2.63 0.27 0.00 -1.45 0.00 0.00 41.25 37.23 3msp s ASN 20 CO 0.29 -0.37 1.04 0.00 -3.72 0.00 0.00 177.10 174.34 3msp s ALA 21 N -0.80 -0.28 0.56 1.71 0.00 -0.86 -4.79 121.76 117.29 3msp s ALA 21 Ca 0.49 0.02 -0.04 0.00 0.00 0.00 0.00 51.96 52.43 3msp s ALA 21 Cb -0.35 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.48 3msp s ALA 21 CO 0.44 -3.77 0.84 -1.25 0.00 0.00 0.00 175.76 172.02 3msp s PRO 22 N -4.45 2.95 -0.78 0.00 0.05 -1.26 -5.07 135.00 126.43 3msp s PRO 22 Ca 0.68 -0.13 -0.02 0.00 0.05 0.00 0.00 61.00 61.59 3msp s PRO 22 Cb -0.25 -2.34 0.38 0.00 0.05 0.00 0.00 34.50 32.33 3msp s PRO 22 CO 0.64 -0.60 1.98 0.66 0.05 0.00 0.00 177.00 179.73 3msp n TYR 23 N -2.46 3.06 0.01 0.56 4.01 -1.26 -4.33 117.16 116.75 3msp n TYR 23 Ca 0.04 -2.52 0.00 0.00 -0.16 0.00 0.00 57.90 55.26 3msp n TYR 23 Cb 0.58 -1.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.42 3msp n TYR 23 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3msp n ASP 24 N -0.63 1.21 -4.02 7.72 9.92 -1.26 -3.33 116.55 126.16 3msp n ASP 24 Ca 0.55 -1.19 -0.09 0.00 -0.53 0.00 0.00 54.79 53.53 3msp n ASP 24 Cb 0.36 -0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.73 3msp n ASP 24 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 3msp s ASP 25 N -0.20 0.39 0.02 -2.24 -4.77 -1.26 -4.90 116.67 103.71 3msp s ASP 25 Ca 0.00 -0.61 -0.30 0.00 -3.30 0.00 0.00 52.55 48.34 3msp s ASP 25 Cb 0.00 0.11 -0.08 0.00 -1.09 0.00 0.00 42.92 41.86 3msp s ASP 25 CO 0.00 -0.35 1.81 -0.54 0.70 0.00 0.00 175.17 176.80 3msp s LYS 26 N -1.99 4.16 -0.41 2.11 1.02 -1.26 -4.45 119.74 118.92 3msp s LYS 26 Ca -0.10 2.44 -0.03 0.00 0.02 0.00 0.00 55.97 58.29 3msp s LYS 26 Cb -0.06 -3.98 0.11 0.00 -0.52 0.00 0.00 37.83 33.38 3msp s LYS 26 CO -0.03 -0.88 0.21 -1.01 -0.92 0.00 0.00 175.35 172.73 3msp s HIS 27 N 3.91 3.58 -0.42 3.18 3.76 -1.08 -4.97 115.29 123.26 3msp s HIS 27 Ca 0.81 -2.40 -0.15 0.00 -0.15 0.00 0.00 55.06 53.17 3msp s HIS 27 Cb -0.40 -3.24 0.02 0.00 1.11 0.00 0.00 32.58 30.08 3msp s HIS 27 CO 0.36 -0.97 0.32 0.99 -0.85 0.00 0.00 174.74 174.58 3msp s THR 28 N 1.15 5.25 0.46 1.30 2.01 -1.26 -2.52 115.64 122.02 3msp s THR 28 Ca 0.08 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 3msp s THR 28 Cb -0.23 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 3msp s THR 28 CO -0.04 -0.34 0.70 -0.31 -0.69 0.00 0.00 174.62 173.93 3msp s TYR 29 N 1.71 3.27 -0.28 4.92 1.51 -1.17 -4.90 117.35 122.41 3msp s TYR 29 Ca 0.05 0.33 0.01 0.00 -1.01 0.00 0.00 57.07 56.45 3msp s TYR 29 Cb -0.19 -2.33 0.06 0.00 -0.11 0.00 0.00 41.96 39.38 3msp s TYR 29 CO 0.10 -0.37 -0.06 -1.01 -1.11 0.00 0.00 175.55 173.10 3msp s HIS 30 N -2.60 3.30 0.08 2.71 3.76 -1.26 -1.96 115.29 119.31 3msp s HIS 30 Ca 0.48 -2.22 -0.16 0.00 -0.15 0.00 0.00 55.06 53.02 3msp s HIS 30 Cb -0.10 -2.08 -0.06 0.00 1.11 0.00 0.00 32.58 31.45 3msp s HIS 30 CO 0.39 -0.86 0.50 0.42 -0.85 0.00 0.00 174.74 174.34 3msp s ILE 31 N 1.14 4.88 -0.15 0.60 -1.09 -0.63 -4.86 121.20 121.09 3msp s ILE 31 Ca -0.06 0.93 -0.01 0.00 -2.23 0.00 0.00 60.65 59.28 3msp s ILE 31 Cb -0.20 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 36.89 3msp s ILE 31 CO -0.04 0.45 -0.10 -0.75 -1.23 0.00 0.00 174.94 173.27 3msp s LYS 32 N -1.42 3.44 0.11 2.79 2.20 -0.89 -2.33 119.74 123.64 3msp s LYS 32 Ca 0.30 -0.65 0.06 0.00 -0.36 0.00 0.00 55.97 55.33 3msp s LYS 32 Cb -0.17 -2.73 -0.04 0.00 -1.51 0.00 0.00 37.83 33.38 3msp s LYS 32 CO 0.17 0.16 -0.15 0.42 -0.36 0.00 0.00 175.35 175.60 3msp s ILE 33 N 0.50 1.36 0.07 5.43 1.01 -1.04 -0.64 121.20 127.90 3msp s ILE 33 Ca -0.07 -1.64 -0.11 0.00 0.00 0.00 0.00 60.65 58.82 3msp s ILE 33 Cb -0.15 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 40.85 3msp s ILE 33 CO 0.04 -0.34 0.26 -0.89 0.00 0.00 0.00 174.94 174.00 3msp s THR 34 N -1.89 0.11 -1.00 2.92 2.01 -0.90 -1.95 115.64 114.94 3msp s THR 34 Ca 0.07 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 3msp s THR 34 Cb -0.06 -1.13 0.28 0.00 0.01 0.00 0.00 72.50 71.60 3msp s THR 34 CO 0.03 -0.50 1.20 -3.20 -0.69 0.00 0.00 174.62 171.46 3msp n ASN 35 N 0.21 5.53 0.22 3.53 4.05 -0.87 -1.64 115.26 126.29 3msp n ASN 35 Ca -0.17 -3.29 0.16 0.00 0.45 0.00 0.00 54.58 51.73 3msp n ASN 35 Cb 0.61 -1.18 0.83 0.00 1.23 0.00 0.00 39.78 41.27 3msp n ASN 35 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3msp h ALA 36 N 5.61 1.79 0.17 5.20 0.00 -1.85 -0.20 119.26 129.98 3msp h ALA 36 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3msp h ALA 36 Cb 0.71 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3msp h ALA 36 CO 1.12 -0.22 -0.40 0.78 0.00 0.00 0.00 179.25 180.54 3msp h GLY 37 N 0.00 -1.17 0.00 0.00 0.00 -1.74 -3.46 103.07 96.71 3msp h GLY 37 Ca 0.07 0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.99 3msp h GLY 37 CO -0.00 -0.33 0.00 0.61 0.00 0.00 0.00 176.54 176.82 3msp n GLY 38 N -1.38 1.90 3.25 4.60 0.00 -1.12 -4.94 105.19 107.49 3msp n GLY 38 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 3msp n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3msp s ARG 39 N -0.02 0.92 0.60 1.61 0.52 -1.26 -4.60 118.95 116.71 3msp s ARG 39 Ca 0.00 -0.81 -0.19 0.00 -0.52 0.00 0.00 55.73 54.21 3msp s ARG 39 Cb 0.00 0.39 -0.04 0.00 0.52 0.00 0.00 34.95 35.81 3msp s ARG 39 CO 0.00 -0.32 1.07 -2.13 0.02 0.00 0.00 175.30 173.95 3msp n ARG 40 N -0.03 1.05 -3.88 3.54 0.63 -1.26 -4.21 116.66 112.50 3msp n ARG 40 Ca -0.16 0.40 -0.09 0.00 -0.92 0.00 0.00 57.85 57.08 3msp n ARG 40 Cb 0.62 -2.28 -0.04 0.00 0.45 0.00 0.00 32.46 31.21 3msp n ARG 40 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 3msp s ILE 41 N -1.45 0.01 -0.31 5.15 -4.36 -0.87 -3.38 121.20 115.99 3msp s ILE 41 Ca 0.76 -1.11 0.00 0.00 -0.26 0.00 0.00 60.65 60.04 3msp s ILE 41 Cb -0.42 -1.92 0.10 0.00 1.25 0.00 0.00 42.46 41.47 3msp s ILE 41 CO 0.46 -0.06 0.09 -0.83 0.24 0.00 0.00 174.94 174.84 3msp s GLY 42 N -2.95 1.24 0.27 6.27 0.00 -0.65 -1.38 107.32 110.12 3msp s GLY 42 Ca 0.15 -1.83 -0.00 0.00 0.00 0.00 0.00 44.72 43.04 3msp s GLY 42 CO 0.04 1.48 0.47 0.66 0.00 0.00 0.00 173.10 175.75 3msp s TRP 43 N 1.48 3.49 -0.19 1.90 1.48 -0.90 -2.29 118.94 123.91 3msp s TRP 43 Ca 0.10 0.35 -0.10 0.00 -1.06 0.00 0.00 56.10 55.39 3msp s TRP 43 Cb -0.18 -1.88 0.07 0.00 -1.16 0.00 0.00 33.47 30.32 3msp s TRP 43 CO -0.22 0.26 0.46 0.00 -4.06 0.00 0.00 176.95 173.40 3msp s ALA 44 N -2.07 -1.21 0.05 2.67 0.00 -0.22 -2.20 121.76 118.79 3msp s ALA 44 Ca 0.39 1.69 -0.13 0.00 0.00 0.00 0.00 51.96 53.91 3msp s ALA 44 Cb -0.10 -1.06 -0.06 0.00 0.00 0.00 0.00 23.12 21.90 3msp s ALA 44 CO 0.32 -0.34 0.43 0.42 0.00 0.00 0.00 175.76 176.59 3msp s ILE 45 N 1.57 5.02 -0.08 0.00 -1.09 -0.78 -2.36 121.20 123.48 3msp s ILE 45 Ca -0.09 0.71 -0.05 0.00 -2.23 0.00 0.00 60.65 58.99 3msp s ILE 45 Cb -0.08 -3.70 0.04 0.00 -1.58 0.00 0.00 42.46 37.14 3msp s ILE 45 CO -0.14 0.42 0.20 -0.54 -1.23 0.00 0.00 174.94 173.65 3msp s LYS 46 N -1.53 0.17 0.20 2.79 1.02 -0.73 -4.90 119.74 116.77 3msp s LYS 46 Ca 0.30 0.41 0.10 0.00 0.02 0.00 0.00 55.97 56.79 3msp s LYS 46 Cb -0.15 -0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.04 3msp s LYS 46 CO 0.16 -0.13 -0.15 0.95 -0.92 0.00 0.00 175.35 175.27 3msp s THR 47 N 0.91 2.86 0.30 2.17 -4.23 -1.26 -0.90 115.64 115.48 3msp s THR 47 Ca -0.07 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 58.60 3msp s THR 47 Cb -0.08 -2.42 0.11 0.00 1.34 0.00 0.00 72.50 71.46 3msp s THR 47 CO -0.05 -0.15 1.79 0.71 -0.54 0.00 0.00 174.62 176.38 3msp h THR 48 N 2.82 1.23 -3.55 3.99 1.35 -1.87 -3.40 112.91 113.48 3msp h THR 48 Ca -0.46 -1.01 -0.63 0.00 -0.55 0.00 0.00 66.41 63.77 3msp h THR 48 Cb 1.21 1.07 -0.37 0.00 -1.73 0.00 0.00 68.15 68.33 3msp h THR 48 CO 0.53 0.34 -0.80 0.21 -0.25 0.00 0.00 175.52 175.54 3msp s ASN 49 N -6.74 3.70 -0.24 5.36 2.47 -1.26 -4.98 114.94 113.25 3msp s ASN 49 Ca -0.08 -1.05 0.11 0.00 0.42 0.00 0.00 52.86 52.26 3msp s ASN 49 Cb 0.15 -1.28 0.69 0.00 -1.45 0.00 0.00 41.25 39.35 3msp s ASN 49 CO 0.79 -0.17 1.62 0.23 -3.72 0.00 0.00 177.10 175.84 3msp n MET 50 N 4.63 4.02 -0.11 0.43 2.81 -1.26 -3.15 117.12 124.49 3msp n MET 50 Ca -0.14 -2.71 -0.24 0.00 -1.81 0.00 0.00 57.70 52.80 3msp n MET 50 Cb 0.45 -2.15 -0.11 0.00 -0.71 0.00 0.00 33.22 30.70 3msp n MET 50 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3msp n ARG 51 N 0.30 0.62 -0.08 0.03 1.74 -1.26 -4.70 116.66 113.31 3msp n ARG 51 Ca 0.29 0.30 -0.09 0.00 -0.77 0.00 0.00 57.85 57.57 3msp n ARG 51 Cb 1.15 -1.58 -0.10 0.00 -1.02 0.00 0.00 32.46 30.91 3msp n ARG 51 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3msp n ARG 52 N -3.95 1.32 -3.55 5.56 5.12 -1.26 -4.96 116.66 114.94 3msp n ARG 52 Ca -0.45 0.03 -0.37 0.00 -1.93 0.00 0.00 57.85 55.13 3msp n ARG 52 Cb 0.89 -1.36 -0.07 0.00 -1.16 0.00 0.00 32.46 30.76 3msp n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3msp s LEU 53 N -5.35 4.28 0.19 0.55 1.43 -1.19 -2.45 118.68 116.15 3msp s LEU 53 Ca -0.12 0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 53.47 3msp s LEU 53 Cb 0.05 -2.39 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 3msp s LEU 53 CO 0.53 0.14 0.28 -0.44 0.23 0.00 0.00 176.35 177.09 3msp s SER 54 N 0.19 0.06 0.12 2.29 0.01 -0.92 -4.21 113.70 111.24 3msp s SER 54 Ca 0.18 -1.01 -0.14 0.00 1.31 0.00 0.00 55.95 56.28 3msp s SER 54 Cb -0.13 0.45 0.02 0.00 0.21 0.00 0.00 66.02 66.57 3msp s SER 54 CO 0.05 -0.92 0.35 0.54 0.41 0.00 0.00 173.24 173.67 3msp s VAL 55 N -4.02 0.08 -0.29 3.43 0.11 -1.26 -0.22 120.40 118.23 3msp s VAL 55 Ca 0.23 -0.76 -0.15 0.00 -2.93 0.00 0.00 61.98 58.37 3msp s VAL 55 Cb 0.03 -1.26 0.13 0.00 -1.53 0.00 0.00 36.38 33.75 3msp s VAL 55 CO 0.04 -0.38 0.85 -0.62 -3.33 0.00 0.00 175.10 171.66 3msp s ASP 56 N -2.83 -0.75 0.34 3.54 2.15 -0.69 -4.16 116.67 114.27 3msp s ASP 56 Ca 0.04 1.13 -0.26 0.00 0.43 0.00 0.00 52.55 53.89 3msp s ASP 56 Cb 0.02 1.55 -0.09 0.00 -0.30 0.00 0.00 42.92 44.11 3msp s ASP 56 CO -0.11 -0.17 1.05 -2.16 -0.17 0.00 0.00 175.17 173.61 3msp s PRO 57 N 1.94 4.40 0.00 4.34 0.04 -1.26 -2.31 135.00 142.16 3msp s PRO 57 Ca -0.07 1.59 0.16 0.00 0.04 0.00 0.00 61.00 62.71 3msp s PRO 57 Cb -0.06 -2.82 0.93 0.00 0.04 0.00 0.00 34.50 32.59 3msp s PRO 57 CO -0.17 0.05 1.56 -0.35 0.04 0.00 0.00 177.00 178.13 3msp n PRO 58 N 0.49 0.95 -3.65 0.56 -0.04 -1.26 -4.85 135.00 127.20 3msp n PRO 58 Ca 0.02 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.46 3msp n PRO 58 Cb 0.48 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.66 3msp n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3msp n GLY 60 N 0.08 0.89 3.56 0.00 0.00 -0.93 -4.97 105.19 103.81 3msp n GLY 60 Ca 0.05 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 3msp n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3msp s VAL 61 N -2.00 5.28 0.44 1.61 1.01 -1.26 -2.11 120.40 123.37 3msp s VAL 61 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 3msp s VAL 61 Cb 0.00 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 3msp s VAL 61 CO 0.00 0.11 0.69 -0.22 0.00 0.00 0.00 175.10 175.68 3msp s LEU 62 N 1.74 3.75 0.54 3.92 2.96 -0.48 -4.90 118.68 126.21 3msp s LEU 62 Ca 0.06 0.67 0.05 0.00 -0.22 0.00 0.00 54.13 54.70 3msp s LEU 62 Cb -0.17 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 42.99 3msp s LEU 62 CO 0.11 -0.52 0.40 -1.81 -1.32 0.00 0.00 176.35 173.21 3msp s ASP 63 N -4.11 4.62 -0.40 3.68 1.11 -1.26 -2.04 116.67 118.27 3msp s ASP 63 Ca 0.45 -1.26 -0.27 0.00 0.18 0.00 0.00 52.55 51.65 3msp s ASP 63 Cb -0.10 0.43 -0.03 0.00 1.07 0.00 0.00 42.92 44.28 3msp s ASP 63 CO 0.41 -1.11 2.01 -2.84 1.18 0.00 0.00 175.17 174.83 3msp s PRO 64 N -4.28 2.89 -0.84 8.23 0.02 -1.26 -2.16 135.00 137.60 3msp s PRO 64 Ca 0.33 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.71 3msp s PRO 64 Cb -0.02 -4.35 0.00 0.00 0.02 0.00 0.00 34.50 30.15 3msp s PRO 64 CO 0.21 -2.39 0.00 1.17 -0.33 0.00 0.00 177.00 175.66 3msp n LYS 65 N 8.78 -0.60 -3.21 5.54 4.81 -0.10 -4.88 118.16 128.50 3msp n LYS 65 Ca 0.26 0.69 -0.32 0.00 -0.87 0.00 0.00 58.31 58.07 3msp n LYS 65 Cb 0.49 -4.57 -0.06 0.00 0.02 0.00 0.00 35.03 30.91 3msp n LYS 65 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3msp s GLU 66 N -3.16 3.94 -0.10 1.64 0.41 -0.92 -4.72 118.70 115.80 3msp s GLU 66 Ca 0.00 0.56 0.03 0.00 -0.41 0.00 0.00 54.97 55.14 3msp s GLU 66 Cb 0.00 -2.49 -0.01 0.00 -1.78 0.00 0.00 34.13 29.85 3msp s GLU 66 CO 0.00 0.20 -0.18 0.15 -0.49 0.00 0.00 175.26 174.94 3msp s LYS 67 N -2.95 3.03 0.03 1.61 3.01 -1.26 -2.05 119.74 121.16 3msp s LYS 67 Ca 0.52 -0.77 0.07 0.00 -1.01 0.00 0.00 55.97 54.78 3msp s LYS 67 Cb -0.10 -2.43 -0.02 0.00 -1.01 0.00 0.00 37.83 34.26 3msp s LYS 67 CO 0.19 0.29 -0.22 0.54 0.51 0.00 0.00 175.35 176.66 3msp s VAL 68 N 0.11 1.72 -0.17 3.17 0.11 -0.82 -5.02 120.40 119.50 3msp s VAL 68 Ca -0.09 -1.14 -0.02 0.00 -2.93 0.00 0.00 61.98 57.80 3msp s VAL 68 Cb -0.15 -1.48 -0.01 0.00 -1.53 0.00 0.00 36.38 33.20 3msp s VAL 68 CO 0.05 0.30 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.83 3msp s LEU 69 N -1.00 2.91 0.36 2.54 2.96 -1.26 -2.49 118.68 122.70 3msp s LEU 69 Ca 0.08 -0.31 0.07 0.00 -0.22 0.00 0.00 54.13 53.75 3msp s LEU 69 Cb -0.09 -1.70 -0.07 0.00 0.50 0.00 0.00 46.19 44.83 3msp s LEU 69 CO 0.01 0.09 -0.01 0.00 -1.32 0.00 0.00 176.35 175.12 3msp s MET 70 N 0.79 1.80 -0.03 1.98 0.23 -0.98 -4.79 119.30 118.30 3msp s MET 70 Ca -0.03 -1.98 0.05 0.00 -1.03 0.00 0.00 55.69 52.70 3msp s MET 70 Cb -0.15 -1.41 -0.01 0.00 -1.53 0.00 0.00 34.83 31.74 3msp s MET 70 CO 0.01 -0.03 -0.17 0.00 -2.03 0.00 0.00 175.02 172.81 3msp s ALA 71 N -2.87 1.46 -0.46 3.16 0.00 -0.98 -1.61 121.76 120.47 3msp s ALA 71 Ca 0.34 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.59 3msp s ALA 71 Cb 0.07 -0.44 0.12 0.00 0.00 0.00 0.00 23.12 22.88 3msp s ALA 71 CO 0.16 0.31 0.24 0.54 0.00 0.00 0.00 175.76 177.01 3msp s VAL 72 N -0.16 3.08 0.45 0.00 0.11 -0.83 -1.70 120.40 121.35 3msp s VAL 72 Ca 0.01 -2.53 -0.24 0.00 -2.93 0.00 0.00 61.98 56.28 3msp s VAL 72 Cb -0.09 -3.11 -0.08 0.00 -1.53 0.00 0.00 36.38 31.57 3msp s VAL 72 CO 0.01 -0.74 1.30 -0.55 -3.33 0.00 0.00 175.10 171.79 3msp s SER 73 N 1.04 6.03 -0.42 3.54 0.15 0.69 -3.02 113.70 121.72 3msp s SER 73 Ca 0.12 2.63 0.03 0.00 0.70 0.00 0.00 55.95 59.43 3msp s SER 73 Cb -0.22 -2.63 0.16 0.00 -1.71 0.00 0.00 66.02 61.62 3msp s SER 73 CO -0.04 -1.04 0.32 0.00 1.20 0.00 0.00 173.24 173.68 3msp n ASP 75 N 3.02 -0.94 -4.67 0.00 9.92 -1.02 -2.62 116.55 120.23 3msp n ASP 75 Ca 0.26 0.61 -0.42 0.00 -0.53 0.00 0.00 54.79 54.71 3msp n ASP 75 Cb 0.45 -1.24 -0.03 0.00 -0.64 0.00 0.00 41.12 39.66 3msp n ASP 75 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3msp s THR 76 N -1.89 3.31 0.42 -3.53 -4.23 -1.26 -4.89 115.64 103.56 3msp s THR 76 Ca 0.67 0.58 0.04 0.00 -1.18 0.00 0.00 61.69 61.80 3msp s THR 76 Cb -0.35 -3.37 -0.02 0.00 1.34 0.00 0.00 72.50 70.10 3msp s THR 76 CO 0.57 -0.03 0.15 0.72 -0.54 0.00 0.00 174.62 175.49 3msp s PHE 77 N 3.36 1.78 -0.16 3.99 -0.71 -1.21 -5.00 117.98 120.03 3msp s PHE 77 Ca 0.74 -1.36 -0.02 0.00 -1.04 0.00 0.00 56.93 55.26 3msp s PHE 77 Cb -0.37 -1.12 -0.01 0.00 -1.21 0.00 0.00 43.02 40.31 3msp s PHE 77 CO 0.32 -0.38 -0.09 -0.80 -1.34 0.00 0.00 175.22 172.92 3msp s ASN 78 N -3.61 4.20 -0.11 1.98 0.01 -1.26 -4.68 114.94 111.46 3msp s ASN 78 Ca 0.23 -0.32 0.08 0.00 -0.71 0.00 0.00 52.86 52.15 3msp s ASN 78 Cb 0.02 -1.67 0.43 0.00 0.41 0.00 0.00 41.25 40.44 3msp s ASN 78 CO 0.16 0.12 1.20 0.00 -1.51 0.00 0.00 177.10 177.06 3msp n ALA 79 N 3.86 3.13 -0.08 0.60 0.00 -1.26 -3.72 120.51 123.04 3msp n ALA 79 Ca -0.18 -0.99 -0.08 0.00 0.00 0.00 0.00 53.44 52.19 3msp n ALA 79 Cb 0.52 -1.05 -0.15 0.00 0.00 0.00 0.00 19.45 18.76 3msp n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3msp n ALA 80 N 0.40 1.58 -2.67 0.00 0.00 -1.26 -4.58 120.51 113.98 3msp n ALA 80 Ca 0.15 -1.17 -0.07 0.00 0.00 0.00 0.00 53.44 52.35 3msp n ALA 80 Cb 0.70 -0.35 0.04 0.00 0.00 0.00 0.00 19.45 19.83 3msp n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3msp n THR 81 N -2.78 1.44 -3.78 0.00 -2.24 -1.25 -5.06 114.28 100.61 3msp n THR 81 Ca -0.28 -3.24 -0.13 0.00 -2.27 0.00 0.00 64.05 58.13 3msp n THR 81 Cb 1.10 0.69 -0.14 0.00 -2.10 0.00 0.00 70.33 69.88 3msp n THR 81 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3msp s GLU 82 N -3.62 0.10 0.21 -0.78 0.41 -1.24 -5.04 118.70 108.74 3msp s GLU 82 Ca 0.31 0.29 -0.32 0.00 -0.41 0.00 0.00 54.97 54.84 3msp s GLU 82 Cb 0.37 -0.10 -0.14 0.00 -1.78 0.00 0.00 34.13 32.47 3msp s GLU 82 CO -0.02 -0.12 1.34 -0.40 -0.49 0.00 0.00 175.26 175.57 3msp n ASP 83 N 3.81 2.28 -0.19 -0.19 5.68 -1.26 -4.87 116.55 121.81 3msp n ASP 83 Ca -0.22 1.14 0.09 0.00 -0.50 0.00 0.00 54.79 55.30 3msp n ASP 83 Cb 0.54 -1.35 0.14 0.00 -1.14 0.00 0.00 41.12 39.30 3msp n ASP 83 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3msp n LEU 84 N 2.19 2.19 -0.66 -2.12 4.77 -1.26 -4.63 117.00 117.48 3msp n LEU 84 Ca 0.13 -3.01 0.00 0.00 -0.03 0.00 0.00 56.01 53.11 3msp n LEU 84 Cb 0.29 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3msp n LEU 84 CO 0.62 0.76 0.23 -3.20 -1.33 0.00 0.00 177.39 174.47 3msp n ASN 85 N -1.26 0.11 0.00 -1.43 5.15 -1.26 -4.83 115.26 111.73 3msp n ASN 85 Ca 0.15 -1.83 0.00 0.00 -0.60 0.00 0.00 54.58 52.30 3msp n ASN 85 Cb 0.66 -0.16 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 3msp n ASN 85 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3msp n ASN 86 N 0.07 0.54 -4.59 1.20 3.02 -1.26 -5.03 115.26 109.21 3msp n ASN 86 Ca -0.00 -1.15 -0.39 0.00 -0.03 0.00 0.00 54.58 53.00 3msp n ASN 86 Cb 0.73 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.81 3msp n ASN 86 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3msp s ASP 87 N -0.15 6.20 -0.19 6.41 1.11 -1.26 -4.82 116.67 123.96 3msp s ASP 87 Ca 0.00 0.11 -0.13 0.00 0.18 0.00 0.00 52.55 52.72 3msp s ASP 87 Cb 0.00 -2.19 0.06 0.00 1.07 0.00 0.00 42.92 41.86 3msp s ASP 87 CO 0.00 -0.20 0.49 0.00 1.18 0.00 0.00 175.17 176.64 3msp s ARG 88 N 2.01 0.51 0.60 8.23 1.70 -1.26 -1.69 118.95 129.04 3msp s ARG 88 Ca 0.13 0.83 -0.07 0.00 -0.47 0.00 0.00 55.73 56.16 3msp s ARG 88 Cb -0.16 0.10 0.01 0.00 -0.57 0.00 0.00 34.95 34.33 3msp s ARG 88 CO 0.11 -0.13 0.92 0.42 -1.08 0.00 0.00 175.30 175.54 3msp s ILE 89 N 1.09 3.73 -0.08 4.99 1.01 -0.88 -3.56 121.20 127.49 3msp s ILE 89 Ca -0.07 0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.65 3msp s ILE 89 Cb -0.06 -3.49 0.05 0.00 0.01 0.00 0.00 42.46 38.96 3msp s ILE 89 CO -0.10 -0.53 0.16 -0.89 0.00 0.00 0.00 174.94 173.58 3msp s THR 90 N -3.03 -0.23 -0.66 2.92 2.01 -0.07 -1.81 115.64 114.76 3msp s THR 90 Ca 0.54 0.33 -0.07 0.00 0.31 0.00 0.00 61.69 62.80 3msp s THR 90 Cb -0.11 -0.29 0.17 0.00 0.01 0.00 0.00 72.50 72.29 3msp s THR 90 CO 0.46 0.14 0.52 -0.63 -0.69 0.00 0.00 174.62 174.42 3msp s ILE 91 N 2.14 4.33 -0.26 1.82 1.09 -0.45 -1.77 121.20 128.10 3msp s ILE 91 Ca 0.01 -2.64 -0.11 0.00 -1.10 0.00 0.00 60.65 56.82 3msp s ILE 91 Cb -0.12 -3.78 -0.05 0.00 -1.06 0.00 0.00 42.46 37.45 3msp s ILE 91 CO -0.06 -0.90 0.19 -1.61 -0.10 0.00 0.00 174.94 172.46 3msp s GLU 92 N 0.22 4.02 0.02 2.79 2.02 -0.99 -2.30 118.70 124.47 3msp s GLU 92 Ca 0.15 -0.26 0.03 0.00 0.02 0.00 0.00 54.97 54.91 3msp s GLU 92 Cb -0.18 -3.60 -0.01 0.00 0.10 0.00 0.00 34.13 30.43 3msp s GLU 92 CO -0.05 -0.07 -0.09 1.67 0.02 0.00 0.00 175.26 176.74 3msp s TRP 93 N 1.44 0.81 -0.01 1.61 -2.14 -0.87 -1.05 118.94 118.72 3msp s TRP 93 Ca 0.08 -0.27 -0.00 0.00 2.66 0.00 0.00 56.10 58.57 3msp s TRP 93 Cb -0.15 -0.50 0.01 0.00 -3.10 0.00 0.00 33.47 29.73 3msp s TRP 93 CO 0.08 -0.02 0.02 -0.08 -2.66 0.00 0.00 176.95 174.29 3msp s THR 94 N -0.62 -0.02 0.42 0.66 -1.32 -0.97 -2.36 115.64 111.44 3msp s THR 94 Ca -0.00 0.07 -0.23 0.00 -1.21 0.00 0.00 61.69 60.31 3msp s THR 94 Cb -0.06 -0.05 -0.11 0.00 -1.51 0.00 0.00 72.50 70.77 3msp s THR 94 CO 0.00 0.03 0.82 -3.20 -2.21 0.00 0.00 174.62 170.06 3msp n ASN 95 N 3.44 0.36 -4.77 8.08 2.85 -1.26 -1.64 115.26 122.32 3msp n ASN 95 Ca -0.17 0.98 -0.40 0.00 -0.11 0.00 0.00 54.58 54.88 3msp n ASN 95 Cb 0.57 -1.25 -0.06 0.00 1.24 0.00 0.00 39.78 40.27 3msp n ASN 95 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3msp s THR 96 N -1.35 4.34 0.76 -0.44 -4.23 -1.22 -4.80 115.64 108.70 3msp s THR 96 Ca 0.64 1.78 -0.11 0.00 -1.18 0.00 0.00 61.69 62.82 3msp s THR 96 Cb -0.58 -4.18 0.05 0.00 1.34 0.00 0.00 72.50 69.14 3msp s THR 96 CO 0.57 0.50 1.08 -2.16 -0.54 0.00 0.00 174.62 174.07 3msp s PRO 97 N -1.04 2.35 0.07 3.99 0.04 -1.26 -4.89 135.00 134.26 3msp s PRO 97 Ca 0.37 1.03 -0.37 0.00 0.04 0.00 0.00 61.00 62.08 3msp s PRO 97 Cb -0.23 -1.92 -0.16 0.00 0.04 0.00 0.00 34.50 32.22 3msp s PRO 97 CO 0.27 -1.54 1.39 -0.25 0.04 0.00 0.00 177.00 176.91 3msp n ASP 98 N -3.44 1.80 -3.23 6.66 8.00 -1.26 -0.97 116.55 124.12 3msp n ASP 98 Ca 0.08 1.11 -0.22 0.00 0.71 0.00 0.00 54.79 56.47 3msp n ASP 98 Cb 0.54 -1.21 0.06 0.00 -0.02 0.00 0.00 41.12 40.49 3msp n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3msp n GLY 99 N 2.70 -0.48 3.73 0.44 0.00 -1.26 -4.94 105.19 105.38 3msp n GLY 99 Ca 0.19 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 3msp n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3msp s ALA 100 N -3.25 3.46 1.02 4.61 0.00 -0.14 -4.99 121.76 122.47 3msp s ALA 100 Ca 0.45 0.98 -0.14 0.00 0.00 0.00 0.00 51.96 53.25 3msp s ALA 100 Cb -0.20 -3.44 0.09 0.00 0.00 0.00 0.00 23.12 19.57 3msp s ALA 100 CO 0.56 -0.43 0.40 0.00 0.00 0.00 0.00 175.76 176.29 3msp n ALA 101 N 2.76 -2.95 -2.41 0.00 0.00 -1.26 -4.86 120.51 111.80 3msp n ALA 101 Ca 0.06 -0.86 -0.43 0.00 0.00 0.00 0.00 53.44 52.21 3msp n ALA 101 Cb 0.44 -1.76 0.01 0.00 0.00 0.00 0.00 19.45 18.13 3msp n ALA 101 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3msp n LYS 102 N -2.32 3.70 0.00 0.00 4.76 -1.26 -4.85 118.16 118.19 3msp n LYS 102 Ca 0.05 -3.63 0.00 0.00 -2.87 0.00 0.00 58.31 51.86 3msp n LYS 102 Cb 0.56 -2.89 0.00 0.00 -1.84 0.00 0.00 35.03 30.87 3msp n LYS 102 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 3msp n GLN 103 N 3.65 0.00 -1.62 1.97 -0.06 -1.26 -5.09 117.38 114.97 3msp n GLN 103 Ca 0.38 0.00 -0.45 0.00 -2.00 0.00 0.00 57.00 54.93 3msp n GLN 103 Cb 0.36 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.50 3msp n GLN 103 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3msp n PHE 104 N -0.20 2.18 -4.08 3.69 7.35 -1.26 -4.96 117.46 120.17 3msp n PHE 104 Ca 0.00 -0.12 -0.27 0.00 -0.76 0.00 0.00 57.45 56.30 3msp n PHE 104 Cb 0.00 -2.71 -0.06 0.00 0.35 0.00 0.00 39.48 37.06 3msp n PHE 104 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 3msp s ARG 105 N 5.16 2.85 0.07 -4.13 1.81 -1.26 -5.03 118.95 118.43 3msp s ARG 105 Ca 0.96 -0.85 0.14 0.00 -1.72 0.00 0.00 55.73 54.27 3msp s ARG 105 Cb -0.53 -2.64 -0.14 0.00 -0.45 0.00 0.00 34.95 31.19 3msp s ARG 105 CO 0.44 0.50 0.94 0.07 -0.68 0.00 0.00 175.30 176.57 3msp h ARG 106 N 2.64 0.00 -0.31 3.54 0.11 -2.02 -3.33 114.38 115.01 3msp h ARG 106 Ca -0.47 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.60 3msp h ARG 106 Cb 1.19 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.26 3msp h ARG 106 CO 0.63 0.48 0.17 1.05 0.10 0.00 0.00 179.97 182.40 3msp h GLU 107 N 0.00 0.42 -0.71 0.08 4.11 -1.95 -1.70 114.58 114.82 3msp h GLU 107 Ca -0.15 -0.03 0.18 0.00 0.07 0.00 0.00 59.36 59.42 3msp h GLU 107 Cb 1.70 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.82 3msp h GLU 107 CO 0.07 0.31 0.50 -1.49 0.07 0.00 0.00 179.01 178.47 3msp h TRP 108 N 0.42 0.21 0.05 2.06 6.55 -1.96 0.20 115.95 123.48 3msp h TRP 108 Ca 0.11 0.01 -0.30 0.00 0.95 0.00 0.00 58.89 59.66 3msp h TRP 108 Cb 0.02 -0.07 -0.03 0.00 -0.86 0.00 0.00 29.16 28.22 3msp h TRP 108 CO 0.00 0.07 -1.60 0.74 -1.05 0.00 0.00 178.44 176.60 3msp h PHE 109 N 0.17 0.20 -0.93 0.49 -1.00 -1.55 -3.35 116.94 110.98 3msp h PHE 109 Ca 0.35 -0.15 -0.60 0.00 2.81 0.00 0.00 57.97 60.38 3msp h PHE 109 Cb 1.12 -0.01 -0.30 0.00 3.61 0.00 0.00 35.95 40.37 3msp h PHE 109 CO -0.00 1.23 0.59 1.04 -1.61 0.00 0.00 178.31 179.56 3msp n GLN 110 N -3.27 2.64 0.00 1.51 6.02 -0.17 -4.94 117.38 119.17 3msp n GLN 110 Ca -0.17 -3.32 0.00 0.00 -0.01 0.00 0.00 57.00 53.50 3msp n GLN 110 Cb 1.03 -2.24 0.00 0.00 1.02 0.00 0.00 30.24 30.06 3msp n GLN 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3msp n GLY 111 N -0.96 5.37 3.90 1.08 0.00 0.51 -4.92 105.19 110.17 3msp n GLY 111 Ca 0.58 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 3msp n GLY 111 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3msp s ASP 112 N 1.00 6.47 0.00 1.61 1.01 -1.26 -4.98 116.67 120.51 3msp s ASP 112 Ca 0.00 0.85 0.00 0.00 0.71 0.00 0.00 52.55 54.11 3msp s ASP 112 Cb 0.00 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.73 3msp s ASP 112 CO 0.00 -0.27 0.00 0.61 0.21 0.00 0.00 175.17 175.72 3msp n GLY 113 N -1.08 -1.03 3.29 0.21 0.00 -1.26 -4.98 105.19 100.34 3msp n GLY 113 Ca -0.00 -2.21 -0.32 0.00 0.00 0.00 0.00 46.02 43.48 3msp n GLY 113 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3msp s MET 114 N -0.42 2.91 -0.21 1.61 1.75 -1.01 -4.86 119.30 119.06 3msp s MET 114 Ca 0.00 -0.83 -0.07 0.00 -1.25 0.00 0.00 55.69 53.54 3msp s MET 114 Cb 0.00 -2.33 -0.03 0.00 2.84 0.00 0.00 34.83 35.30 3msp s MET 114 CO 0.00 0.29 0.05 0.08 -0.65 0.00 0.00 175.02 174.80 3msp s VAL 115 N 0.08 4.41 -0.45 10.11 1.01 -1.26 -4.22 120.40 130.09 3msp s VAL 115 Ca -0.09 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 3msp s VAL 115 Cb -0.15 -3.02 0.04 0.00 0.00 0.00 0.00 36.38 33.25 3msp s VAL 115 CO 0.06 0.40 0.46 -0.60 0.00 0.00 0.00 175.10 175.42 3msp s ARG 116 N 0.98 3.07 -0.31 2.72 6.06 -0.99 -4.98 118.95 125.50 3msp s ARG 116 Ca 0.03 -0.92 -0.10 0.00 -2.50 0.00 0.00 55.73 52.24 3msp s ARG 116 Cb -0.14 -4.03 -0.01 0.00 0.06 0.00 0.00 34.95 30.83 3msp s ARG 116 CO 0.03 -0.96 0.17 -0.98 -2.50 0.00 0.00 175.30 171.05 3msp s ARG 117 N 2.11 3.41 0.21 5.12 1.70 -1.26 -2.06 118.95 128.18 3msp s ARG 117 Ca 0.11 -0.68 0.05 0.00 -0.47 0.00 0.00 55.73 54.74 3msp s ARG 117 Cb -0.19 -3.61 -0.03 0.00 -0.57 0.00 0.00 34.95 30.54 3msp s ARG 117 CO 0.12 -0.41 0.24 0.15 -1.08 0.00 0.00 175.30 174.32 3msp s LYS 118 N 1.64 3.16 -0.05 3.89 1.02 -0.97 -4.95 119.74 123.49 3msp s LYS 118 Ca 0.05 -0.84 -0.02 0.00 0.02 0.00 0.00 55.97 55.19 3msp s LYS 118 Cb -0.17 -2.75 0.03 0.00 -0.52 0.00 0.00 37.83 34.42 3msp s LYS 118 CO 0.07 0.45 0.08 0.54 -0.92 0.00 0.00 175.35 175.58 3msp s ASN 119 N -3.57 0.40 -0.27 2.83 2.20 -1.26 -1.34 114.94 113.93 3msp s ASN 119 Ca 0.33 0.15 -0.03 0.00 -0.94 0.00 0.00 52.86 52.38 3msp s ASN 119 Cb -0.09 0.02 0.03 0.00 -2.00 0.00 0.00 41.25 39.21 3msp s ASN 119 CO 0.26 -0.18 -0.02 -0.76 -2.94 0.00 0.00 177.10 173.46 3msp s LEU 120 N 1.56 3.42 0.47 3.54 1.02 -0.75 -4.98 118.68 122.97 3msp s LEU 120 Ca -0.04 -0.89 -0.23 0.00 0.02 0.00 0.00 54.13 52.99 3msp s LEU 120 Cb -0.12 -1.72 -0.07 0.00 0.02 0.00 0.00 46.19 44.30 3msp s LEU 120 CO -0.04 -0.16 1.25 -2.16 0.02 0.00 0.00 176.35 175.26 3msp s PRO 121 N 1.35 3.62 0.18 1.29 0.04 -1.26 -2.08 135.00 138.14 3msp s PRO 121 Ca 0.00 1.99 -0.04 0.00 0.04 0.00 0.00 61.00 62.99 3msp s PRO 121 Cb -0.17 -2.44 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 3msp s PRO 121 CO -0.02 -0.73 0.41 0.42 0.04 0.00 0.00 177.00 177.12 3msp s ILE 122 N -1.41 5.14 0.07 0.56 -1.09 -0.68 -2.52 121.20 121.27 3msp s ILE 122 Ca 0.64 -0.01 0.01 0.00 -2.23 0.00 0.00 60.65 59.07 3msp s ILE 122 Cb -0.34 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 3msp s ILE 122 CO 0.42 -0.05 -0.06 -0.70 -1.23 0.00 0.00 174.94 173.31 3msp s GLU 123 N -2.91 0.69 -0.27 2.79 -6.30 0.52 -4.91 118.70 108.31 3msp s GLU 123 Ca 0.41 -1.12 0.00 0.00 -2.50 0.00 0.00 54.97 51.77 3msp s GLU 123 Cb -0.12 -0.16 0.08 0.00 0.00 0.00 0.00 34.13 33.93 3msp s GLU 123 CO 0.26 -0.01 0.02 0.71 0.02 0.00 0.00 175.26 176.26 3msp s TYR 124 N -2.92 2.27 -1.26 5.30 1.51 -1.26 -1.01 117.35 119.97 3msp s TYR 124 Ca 0.04 -1.88 -0.15 0.00 -1.01 0.00 0.00 57.07 54.07 3msp s TYR 124 Cb 0.01 -1.81 0.13 0.00 -0.11 0.00 0.00 41.96 40.18 3msp s TYR 124 CO -0.04 -0.82 1.62 -1.71 -1.11 0.00 0.00 175.55 173.49 3msp n ASN 125 N 4.69 5.04 0.00 2.29 5.15 -0.98 -4.99 115.26 126.47 3msp n ASN 125 Ca -0.05 -2.96 0.10 0.00 -0.60 0.00 0.00 54.58 51.06 3msp n ASN 125 Cb 0.43 -1.62 0.57 0.00 -0.53 0.00 0.00 39.78 38.63 3msp n ASN 125 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84