#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3msp s GLN 2 N 0.00 2.50 0.37 0.00 0.00 -1.26 -4.97 119.66 116.31 3msp s GLN 2 Ca 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 55.36 54.74 3msp s GLN 2 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 33.01 30.60 3msp s GLN 2 CO 0.00 -0.81 0.00 0.43 0.00 0.00 0.00 175.29 174.91 3msp n SER 3 N -2.47 -5.65 -4.29 12.60 7.64 -1.26 -4.94 113.62 115.26 3msp n SER 3 Ca 0.07 1.10 -0.25 0.00 1.01 0.00 0.00 58.87 60.81 3msp n SER 3 Cb 0.60 -2.91 -0.13 0.00 -1.01 0.00 0.00 64.21 60.75 3msp n SER 3 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3msp s VAL 4 N -4.35 1.77 0.49 0.44 -7.23 -1.26 -4.96 120.40 105.30 3msp s VAL 4 Ca 0.00 -1.49 -0.23 0.00 -1.81 0.00 0.00 61.98 58.45 3msp s VAL 4 Cb 0.00 -1.59 -0.06 0.00 0.56 0.00 0.00 36.38 35.29 3msp s VAL 4 CO 0.00 0.02 1.25 -2.16 -0.31 0.00 0.00 175.10 173.90 3msp s PRO 5 N -1.76 3.53 0.51 4.82 0.04 -1.26 -4.47 135.00 136.41 3msp s PRO 5 Ca 0.08 1.98 -0.20 0.00 0.04 0.00 0.00 61.00 62.90 3msp s PRO 5 Cb -0.10 -2.37 -0.07 0.00 0.04 0.00 0.00 34.50 32.00 3msp s PRO 5 CO 0.04 -0.80 1.10 -1.25 0.04 0.00 0.00 177.00 176.13 3msp s PRO 6 N -2.74 3.57 0.00 0.56 0.04 -1.26 -5.04 135.00 130.13 3msp s PRO 6 Ca 0.66 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.24 3msp s PRO 6 Cb -0.34 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.11 3msp s PRO 6 CO 0.41 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.20 3msp n GLY 7 N 0.06 -2.86 3.26 0.56 0.00 -1.26 -4.93 105.19 100.01 3msp n GLY 7 Ca 0.10 -1.33 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 3msp n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3msp s ASP 8 N -1.72 5.03 0.40 1.61 1.01 -1.26 -4.95 116.67 116.79 3msp s ASP 8 Ca 0.00 -1.03 -0.23 0.00 0.71 0.00 0.00 52.55 52.00 3msp s ASP 8 Cb 0.00 -1.81 -0.10 0.00 1.01 0.00 0.00 42.92 42.02 3msp s ASP 8 CO 0.00 -0.25 0.97 0.27 0.21 0.00 0.00 175.17 176.37 3msp s ILE 9 N 1.38 4.18 0.21 0.77 -4.36 -1.26 -3.84 121.20 118.28 3msp s ILE 9 Ca -0.01 1.54 -0.09 0.00 -0.26 0.00 0.00 60.65 61.83 3msp s ILE 9 Cb -0.19 -3.73 -0.07 0.00 1.25 0.00 0.00 42.46 39.72 3msp s ILE 9 CO 0.01 -0.12 0.52 0.20 0.24 0.00 0.00 174.94 175.79 3msp s ASN 10 N -1.89 6.61 0.02 4.36 0.01 -0.82 -4.92 114.94 118.32 3msp s ASN 10 Ca 0.58 0.87 -0.01 0.00 -0.71 0.00 0.00 52.86 53.60 3msp s ASN 10 Cb -0.15 -2.21 -0.02 0.00 0.41 0.00 0.00 41.25 39.29 3msp s ASN 10 CO 0.19 -0.04 -0.02 0.42 -1.51 0.00 0.00 177.10 176.14 3msp s THR 11 N -1.77 0.12 -0.24 1.60 -4.23 -1.26 -1.63 115.64 108.23 3msp s THR 11 Ca 0.46 -1.03 -0.03 0.00 -1.18 0.00 0.00 61.69 59.91 3msp s THR 11 Cb -0.12 -0.46 0.12 0.00 1.34 0.00 0.00 72.50 73.38 3msp s THR 11 CO 0.22 -0.56 0.29 -1.10 -0.54 0.00 0.00 174.62 172.92 3msp s GLN 12 N -1.82 0.27 0.82 3.99 -0.21 -0.82 -2.75 119.66 119.13 3msp s GLN 12 Ca -0.13 0.23 -0.12 0.00 0.02 0.00 0.00 55.36 55.36 3msp s GLN 12 Cb -0.07 -0.86 0.09 0.00 1.00 0.00 0.00 33.01 33.17 3msp s GLN 12 CO -0.02 -0.74 1.17 -1.25 -2.12 0.00 0.00 175.29 172.33 3msp s PRO 13 N 2.40 1.66 -0.01 2.91 0.04 -1.26 -2.53 135.00 138.20 3msp s PRO 13 Ca 0.09 1.60 0.09 0.00 0.04 0.00 0.00 61.00 62.82 3msp s PRO 13 Cb -0.15 -1.79 -0.13 0.00 0.04 0.00 0.00 34.50 32.46 3msp s PRO 13 CO -0.18 -2.17 0.19 -1.13 0.04 0.00 0.00 177.00 173.75 3msp n SER 14 N -3.48 3.01 -0.09 6.66 3.41 -1.11 -4.71 113.62 117.31 3msp n SER 14 Ca 0.12 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.50 3msp n SER 14 Cb 0.51 1.39 -0.12 0.00 -0.26 0.00 0.00 64.21 65.73 3msp n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3msp n GLN 15 N -1.81 0.63 -3.06 4.33 6.02 -1.26 -4.95 117.38 117.28 3msp n GLN 15 Ca -0.02 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 3msp n GLN 15 Cb 0.23 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 29.87 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 -3.95 -2.39 -3.92 -1.09 2.85 -1.26 -4.36 118.16 104.03 3msp n LYS 16 Ca -0.41 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 56.76 3msp n LYS 16 Cb 0.88 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 35.17 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 -2.33 0.14 -0.38 0.58 2.07 -1.05 -4.67 121.20 115.55 3msp s ILE 17 Ca 0.00 -1.16 0.01 0.00 -1.41 0.00 0.00 60.65 58.09 3msp s ILE 17 Cb 0.00 -1.04 0.13 0.00 0.13 0.00 0.00 42.46 41.68 3msp s ILE 17 CO 0.00 -0.64 0.20 0.54 -1.91 0.00 0.00 174.94 173.13 3msp s VAL 18 N -2.96 0.92 -0.31 4.00 0.11 -1.26 -0.21 120.40 120.70 3msp s VAL 18 Ca -0.02 -2.03 -0.36 0.00 -2.93 0.00 0.00 61.98 56.64 3msp s VAL 18 Cb 0.01 -1.66 -0.12 0.00 -1.53 0.00 0.00 36.38 33.07 3msp s VAL 18 CO -0.06 -0.87 2.07 0.49 -3.33 0.00 0.00 175.10 173.40 3msp n PHE 19 N 4.01 1.77 -2.69 1.54 3.72 0.19 -4.56 117.46 121.43 3msp n PHE 19 Ca 0.07 0.30 -0.41 0.00 -0.05 0.00 0.00 57.45 57.35 3msp n PHE 19 Cb 0.37 -2.53 -0.05 0.00 -0.94 0.00 0.00 39.48 36.33 3msp n PHE 19 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3msp s ASN 20 N 6.23 7.49 1.09 4.37 0.01 -1.26 -2.25 114.94 130.62 3msp s ASN 20 Ca 1.06 1.89 -0.19 0.00 -0.71 0.00 0.00 52.86 54.91 3msp s ASN 20 Cb -0.89 -2.60 0.07 0.00 0.41 0.00 0.00 41.25 38.25 3msp s ASN 20 CO 0.53 -0.04 -0.10 0.00 -1.51 0.00 0.00 177.10 175.98 3msp n ALA 21 N 2.38 -4.17 -1.98 0.60 0.00 -0.91 -4.81 120.51 111.62 3msp n ALA 21 Ca 0.01 -1.22 -0.29 0.00 0.00 0.00 0.00 53.44 51.94 3msp n ALA 21 Cb 0.48 -1.48 0.03 0.00 0.00 0.00 0.00 19.45 18.48 3msp n ALA 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3msp s PRO 22 N -3.32 3.01 -0.32 0.00 0.05 -1.26 -5.06 135.00 128.10 3msp s PRO 22 Ca 0.54 0.32 0.09 0.00 0.05 0.00 0.00 61.00 62.01 3msp s PRO 22 Cb -0.11 -2.14 0.61 0.00 0.05 0.00 0.00 34.50 32.92 3msp s PRO 22 CO 0.67 -0.81 1.65 0.66 0.05 0.00 0.00 177.00 179.22 3msp n TYR 23 N -2.79 1.88 0.01 0.56 4.01 -1.26 -4.31 117.16 115.26 3msp n TYR 23 Ca 0.06 -1.43 0.06 0.00 -0.16 0.00 0.00 57.90 56.42 3msp n TYR 23 Cb 0.57 -0.62 0.12 0.00 -0.31 0.00 0.00 39.34 39.10 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 -0.76 2.64 -3.80 7.72 8.00 -1.26 -1.01 116.55 128.08 3msp n ASP 24 Ca 0.39 -1.85 -0.13 0.00 0.71 0.00 0.00 54.79 53.91 3msp n ASP 24 Cb 1.25 -0.17 -0.15 0.00 -0.02 0.00 0.00 41.12 42.04 3msp n ASP 24 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3msp s ASP 25 N -0.98 -0.03 -0.38 -2.24 1.01 -1.26 -4.83 116.67 107.96 3msp s ASP 25 Ca 0.20 0.13 -0.30 0.00 0.71 0.00 0.00 52.55 53.29 3msp s ASP 25 Cb 0.11 0.07 -0.09 0.00 1.01 0.00 0.00 42.92 44.02 3msp s ASP 25 CO 0.15 -0.09 2.29 2.29 0.21 0.00 0.00 175.17 180.03 3msp n LYS 26 N 3.72 1.30 -4.42 8.23 2.85 -1.26 -4.66 118.16 123.92 3msp n LYS 26 Ca -0.21 0.29 -0.33 0.00 -1.05 0.00 0.00 58.31 57.00 3msp n LYS 26 Cb 0.54 -2.90 -0.15 0.00 -0.65 0.00 0.00 35.03 31.87 3msp n LYS 26 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3msp s HIS 27 N 8.94 2.79 -0.37 5.58 3.76 -1.18 -4.92 115.29 129.90 3msp s HIS 27 Ca 1.06 -1.13 -0.14 0.00 -0.15 0.00 0.00 55.06 54.70 3msp s HIS 27 Cb -0.54 -1.91 -0.00 0.00 1.11 0.00 0.00 32.58 31.23 3msp s HIS 27 CO 0.39 -0.54 0.27 0.99 -0.85 0.00 0.00 174.74 175.01 3msp s THR 28 N 0.94 5.27 -0.66 1.30 2.01 -1.26 -2.15 115.64 121.09 3msp s THR 28 Ca -0.03 -0.37 -0.21 0.00 0.31 0.00 0.00 61.69 61.38 3msp s THR 28 Cb -0.15 -3.81 0.08 0.00 0.01 0.00 0.00 72.50 68.63 3msp s THR 28 CO -0.02 -0.14 0.92 -0.31 -0.69 0.00 0.00 174.62 174.38 3msp s TYR 29 N 1.73 2.78 0.66 4.92 1.51 -0.88 -4.75 117.35 123.32 3msp s TYR 29 Ca 0.06 -0.70 -0.16 0.00 -1.01 0.00 0.00 57.07 55.26 3msp s TYR 29 Cb -0.18 -4.23 -0.00 0.00 -0.11 0.00 0.00 41.96 37.44 3msp s TYR 29 CO 0.10 -1.56 1.16 -1.01 -1.11 0.00 0.00 175.55 173.14 3msp s HIS 30 N 3.65 2.40 0.02 2.71 3.76 -1.26 -2.11 115.29 124.47 3msp s HIS 30 Ca 0.20 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.68 3msp s HIS 30 Cb -0.18 -3.33 -0.02 0.00 1.11 0.00 0.00 32.58 30.16 3msp s HIS 30 CO 0.08 -2.05 -0.03 0.42 -0.85 0.00 0.00 174.74 172.30 3msp s ILE 31 N -2.04 0.17 -0.09 0.60 1.01 -0.90 -4.89 121.20 115.06 3msp s ILE 31 Ca 0.72 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 3msp s ILE 31 Cb -0.25 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 3msp s ILE 31 CO 0.39 -0.41 0.04 -0.75 0.00 0.00 0.00 174.94 174.21 3msp s LYS 32 N -1.30 3.11 0.10 2.79 2.20 -1.05 -0.64 119.74 124.95 3msp s LYS 32 Ca -0.13 -0.34 0.05 0.00 -0.36 0.00 0.00 55.97 55.18 3msp s LYS 32 Cb -0.09 -2.90 -0.03 0.00 -1.51 0.00 0.00 37.83 33.30 3msp s LYS 32 CO -0.01 0.72 -0.12 0.42 -0.36 0.00 0.00 175.35 176.00 3msp s ILE 33 N -0.95 1.08 0.05 5.43 1.01 -0.96 -1.95 121.20 124.91 3msp s ILE 33 Ca 0.15 -1.59 -0.08 0.00 0.00 0.00 0.00 60.65 59.13 3msp s ILE 33 Cb -0.12 -1.34 -0.00 0.00 0.01 0.00 0.00 42.46 41.01 3msp s ILE 33 CO 0.04 -0.45 0.15 -0.89 0.00 0.00 0.00 174.94 173.79 3msp s THR 34 N -2.11 0.12 -0.47 2.92 2.01 -0.65 -1.91 115.64 115.56 3msp s THR 34 Ca 0.05 -1.03 -0.12 0.00 0.31 0.00 0.00 61.69 60.90 3msp s THR 34 Cb -0.05 -0.97 0.10 0.00 0.01 0.00 0.00 72.50 71.59 3msp s THR 34 CO 0.01 -0.57 0.36 0.21 -0.69 0.00 0.00 174.62 173.95 3msp s ASN 35 N -2.22 5.87 -0.18 3.53 3.84 -0.79 -1.94 114.94 123.05 3msp s ASN 35 Ca -0.03 -1.67 0.09 0.00 0.21 0.00 0.00 52.86 51.45 3msp s ASN 35 Cb -0.00 -2.08 0.54 0.00 -0.55 0.00 0.00 41.25 39.16 3msp s ASN 35 CO -0.05 -0.68 1.38 0.00 -2.79 0.00 0.00 177.10 174.96 3msp n ALA 36 N 5.04 3.60 -1.79 1.71 0.00 -1.25 -0.69 120.51 127.12 3msp n ALA 36 Ca -0.11 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 51.95 3msp n ALA 36 Cb 0.42 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3msp n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3msp n GLY 37 N 0.29 0.53 0.40 0.00 0.00 -1.26 -4.58 105.19 100.57 3msp n GLY 37 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3msp n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3msp n GLY 38 N 5.00 0.05 3.71 -0.02 0.00 -1.26 -4.81 105.19 107.86 3msp n GLY 38 Ca 0.00 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.20 2.26 0.82 1.61 0.52 -1.26 -4.41 118.95 117.29 3msp s ARG 39 Ca 0.00 -1.69 -0.15 0.00 -0.52 0.00 0.00 55.73 53.38 3msp s ARG 39 Cb 0.00 -2.06 -0.01 0.00 0.52 0.00 0.00 34.95 33.40 3msp s ARG 39 CO 0.00 0.04 0.45 2.89 0.02 0.00 0.00 175.30 178.70 3msp n ARG 40 N -1.14 0.07 -4.16 3.54 1.85 -1.26 -4.54 116.66 111.02 3msp n ARG 40 Ca -0.03 0.07 -0.14 0.00 -1.00 0.00 0.00 57.85 56.75 3msp n ARG 40 Cb 0.62 -1.82 -0.07 0.00 -1.05 0.00 0.00 32.46 30.14 3msp n ARG 40 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 3msp s ILE 41 N -2.10 0.00 -0.31 8.89 -4.36 -0.84 -3.27 121.20 119.21 3msp s ILE 41 Ca 0.62 -1.81 -0.00 0.00 -0.26 0.00 0.00 60.65 59.19 3msp s ILE 41 Cb -0.29 -2.48 0.10 0.00 1.25 0.00 0.00 42.46 41.04 3msp s ILE 41 CO 0.62 0.00 0.09 -0.83 0.24 0.00 0.00 174.94 175.06 3msp s GLY 42 N -3.20 1.19 0.38 6.27 0.00 -0.55 -1.63 107.32 109.78 3msp s GLY 42 Ca 0.35 -1.79 -0.02 0.00 0.00 0.00 0.00 44.72 43.26 3msp s GLY 42 CO 0.17 1.52 0.62 0.66 0.00 0.00 0.00 173.10 176.07 3msp s TRP 43 N 1.52 3.52 -0.18 1.90 1.48 -0.84 -2.22 118.94 124.11 3msp s TRP 43 Ca 0.10 0.51 -0.11 0.00 -1.06 0.00 0.00 56.10 55.55 3msp s TRP 43 Cb -0.17 -2.03 0.06 0.00 -1.16 0.00 0.00 33.47 30.16 3msp s TRP 43 CO -0.23 0.02 0.45 0.00 -4.06 0.00 0.00 176.95 173.12 3msp s ALA 44 N -2.41 -1.16 -0.10 2.67 0.00 -0.06 -2.23 121.76 118.47 3msp s ALA 44 Ca 0.42 1.62 -0.06 0.00 0.00 0.00 0.00 51.96 53.95 3msp s ALA 44 Cb -0.10 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 3msp s ALA 44 CO 0.38 -0.28 0.14 0.42 0.00 0.00 0.00 175.76 176.42 3msp s ILE 45 N 1.35 5.44 -0.04 0.00 -1.09 -0.81 -2.20 121.20 123.85 3msp s ILE 45 Ca -0.09 0.12 -0.02 0.00 -2.23 0.00 0.00 60.65 58.44 3msp s ILE 45 Cb -0.08 -3.40 0.03 0.00 -1.58 0.00 0.00 42.46 37.44 3msp s ILE 45 CO -0.13 0.57 0.09 -0.54 -1.23 0.00 0.00 174.94 173.70 3msp s LYS 46 N -1.18 0.04 0.20 2.79 -0.14 -0.72 -4.89 119.74 115.84 3msp s LYS 46 Ca 0.17 0.26 0.07 0.00 -1.36 0.00 0.00 55.97 55.10 3msp s LYS 46 Cb -0.12 -0.16 -0.04 0.00 -1.68 0.00 0.00 37.83 35.83 3msp s LYS 46 CO 0.07 -0.14 0.11 0.95 -0.76 0.00 0.00 175.35 175.58 3msp s THR 47 N 0.92 4.22 0.55 2.17 -4.23 -1.26 -1.06 115.64 116.95 3msp s THR 47 Ca -0.07 -1.33 0.35 0.00 -1.18 0.00 0.00 61.69 59.45 3msp s THR 47 Cb -0.10 -3.20 0.52 0.00 1.34 0.00 0.00 72.50 71.06 3msp s THR 47 CO -0.04 -0.21 1.79 0.71 -0.54 0.00 0.00 174.62 176.33 3msp h THR 48 N 1.93 0.38 -3.14 3.99 1.35 -1.56 -3.37 112.91 112.50 3msp h THR 48 Ca -0.47 0.00 -0.28 0.00 -0.55 0.00 0.00 66.41 65.10 3msp h THR 48 Cb 1.22 0.42 -0.35 0.00 -1.73 0.00 0.00 68.15 67.71 3msp h THR 48 CO 0.61 0.00 -0.63 0.20 -0.25 0.00 0.00 175.52 175.45 3msp s ASN 49 N -5.09 0.52 0.00 5.36 0.01 -1.26 -5.01 114.94 109.47 3msp s ASN 49 Ca -0.05 0.32 0.29 0.00 -0.71 0.00 0.00 52.86 52.71 3msp s ASN 49 Cb 0.21 0.25 1.21 0.00 0.41 0.00 0.00 41.25 43.33 3msp s ASN 49 CO 0.75 -0.22 1.89 0.23 -1.51 0.00 0.00 177.10 178.24 3msp n MET 50 N 5.02 0.15 0.02 -0.60 2.81 -1.26 -2.01 117.12 121.25 3msp n MET 50 Ca -0.11 -0.02 -0.22 0.00 -1.81 0.00 0.00 57.70 55.54 3msp n MET 50 Cb 0.50 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.37 3msp n MET 50 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3msp h ARG 51 N 0.05 0.29 0.00 0.03 3.08 -1.95 -3.42 114.38 112.46 3msp h ARG 51 Ca 0.00 -0.49 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 3msp h ARG 51 Cb 0.44 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 3msp h ARG 51 CO 0.00 1.23 -0.27 0.00 -1.07 0.00 0.00 179.97 179.87 3msp h ARG 52 N -0.04 0.00 -5.72 0.04 3.08 -1.96 -3.47 114.38 106.31 3msp h ARG 52 Ca -0.38 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.07 3msp h ARG 52 Cb 1.97 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.94 3msp h ARG 52 CO 0.09 0.07 -0.26 -0.51 -1.07 0.00 0.00 179.97 178.30 3msp s LEU 53 N -8.37 4.34 -0.23 3.04 1.43 -0.85 -2.30 118.68 115.73 3msp s LEU 53 Ca -0.08 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.74 3msp s LEU 53 Cb 0.01 -2.48 0.06 0.00 0.03 0.00 0.00 46.19 43.81 3msp s LEU 53 CO 0.14 0.18 -0.03 -0.44 0.23 0.00 0.00 176.35 176.44 3msp s SER 54 N -0.13 3.72 0.71 2.29 0.01 -0.86 -4.10 113.70 115.34 3msp s SER 54 Ca 0.21 -1.17 -0.14 0.00 1.31 0.00 0.00 55.95 56.16 3msp s SER 54 Cb -0.15 -1.07 0.03 0.00 0.21 0.00 0.00 66.02 65.04 3msp s SER 54 CO 0.08 -0.26 1.12 0.68 0.41 0.00 0.00 173.24 175.27 3msp s VAL 55 N 1.48 3.08 -0.30 3.43 -7.23 -1.26 -1.76 120.40 117.84 3msp s VAL 55 Ca -0.04 0.46 -0.12 0.00 -1.81 0.00 0.00 61.98 60.47 3msp s VAL 55 Cb -0.18 -2.95 0.17 0.00 0.56 0.00 0.00 36.38 33.98 3msp s VAL 55 CO -0.08 -0.35 0.96 -0.62 -0.31 0.00 0.00 175.10 174.70 3msp s ASP 56 N -2.71 -0.64 0.52 4.85 -1.08 0.83 -4.19 116.67 114.24 3msp s ASP 56 Ca 0.66 0.57 -0.20 0.00 -0.52 0.00 0.00 52.55 53.06 3msp s ASP 56 Cb -0.21 1.61 -0.07 0.00 -1.46 0.00 0.00 42.92 42.79 3msp s ASP 56 CO 0.46 -0.12 1.11 -2.84 0.52 0.00 0.00 175.17 174.30 3msp s PRO 57 N 2.74 3.53 0.26 4.34 0.02 -1.26 0.78 135.00 145.42 3msp s PRO 57 Ca 0.02 1.56 0.25 0.00 0.02 0.00 0.00 61.00 62.85 3msp s PRO 57 Cb -0.09 -2.08 0.90 0.00 0.02 0.00 0.00 34.50 33.25 3msp s PRO 57 CO -0.15 -0.69 1.75 -1.00 -0.33 0.00 0.00 177.00 176.58 3msp h PRO 58 N 1.41 0.00 -1.03 5.54 0.13 -1.92 -3.44 132.00 132.69 3msp h PRO 58 Ca -0.50 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 64.91 3msp h PRO 58 Cb 1.25 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.12 3msp h PRO 58 CO 0.58 0.00 0.98 0.00 -0.23 0.00 0.00 178.00 179.33 3msp s GLY 60 N -1.34 -0.33 -0.27 0.00 0.00 -0.95 -4.93 107.32 99.50 3msp s GLY 60 Ca 0.10 0.59 -0.12 0.00 0.00 0.00 0.00 44.72 45.29 3msp s GLY 60 CO -0.06 0.14 0.25 0.14 0.00 0.00 0.00 173.10 173.57 3msp s VAL 61 N -2.86 5.27 0.35 1.40 1.01 -1.26 -1.98 120.40 122.33 3msp s VAL 61 Ca 0.12 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.45 3msp s VAL 61 Cb 0.01 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 3msp s VAL 61 CO -0.02 0.23 0.52 -0.22 0.00 0.00 0.00 175.10 175.61 3msp s LEU 62 N 1.74 3.96 0.43 3.92 2.96 -0.65 -4.91 118.68 126.12 3msp s LEU 62 Ca 0.10 0.12 0.07 0.00 -0.22 0.00 0.00 54.13 54.20 3msp s LEU 62 Cb -0.16 -3.00 -0.05 0.00 0.50 0.00 0.00 46.19 43.48 3msp s LEU 62 CO 0.10 -0.41 0.15 -1.81 -1.32 0.00 0.00 176.35 173.06 3msp s ASP 63 N -4.12 4.32 -0.23 3.68 1.01 -1.26 -1.99 116.67 118.07 3msp s ASP 63 Ca 0.43 -1.18 -0.30 0.00 0.71 0.00 0.00 52.55 52.21 3msp s ASP 63 Cb -0.10 -0.36 -0.07 0.00 1.01 0.00 0.00 42.92 43.41 3msp s ASP 63 CO 0.34 -0.58 2.18 -2.65 0.21 0.00 0.00 175.17 174.67 3msp n PRO 64 N -1.22 1.77 -3.40 8.23 -0.02 -1.26 -1.58 135.00 137.52 3msp n PRO 64 Ca -0.03 0.51 -0.20 0.00 -2.02 0.00 0.00 63.50 61.76 3msp n PRO 64 Cb 0.65 -2.98 0.07 0.00 -0.02 0.00 0.00 33.50 31.21 3msp n PRO 64 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3msp n LYS 65 N 8.43 -6.59 -4.10 -0.52 5.02 0.13 -5.00 118.16 115.53 3msp n LYS 65 Ca 0.32 0.70 -0.27 0.00 -2.02 0.00 0.00 58.31 57.04 3msp n LYS 65 Cb 0.38 -5.34 -0.06 0.00 -0.02 0.00 0.00 35.03 29.99 3msp n LYS 65 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3msp s GLU 66 N -6.08 2.79 0.05 1.97 2.02 -0.62 -4.81 118.70 114.03 3msp s GLU 66 Ca 0.48 -0.90 0.05 0.00 0.02 0.00 0.00 54.97 54.63 3msp s GLU 66 Cb -0.21 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 3msp s GLU 66 CO 0.60 0.49 -0.10 -1.59 0.02 0.00 0.00 175.26 174.67 3msp s LYS 67 N -2.99 2.30 0.01 1.61 -2.85 -1.26 -1.89 119.74 114.67 3msp s LYS 67 Ca 0.30 -0.88 0.01 0.00 -1.00 0.00 0.00 55.97 54.39 3msp s LYS 67 Cb -0.10 -2.36 -0.01 0.00 -2.06 0.00 0.00 37.83 33.30 3msp s LYS 67 CO 0.22 0.56 -0.03 0.54 0.10 0.00 0.00 175.35 176.74 3msp s VAL 68 N -1.06 0.20 0.35 1.79 0.11 -0.80 -5.00 120.40 115.99 3msp s VAL 68 Ca 0.18 -0.39 -0.13 0.00 -2.93 0.00 0.00 61.98 58.71 3msp s VAL 68 Cb -0.11 -0.23 -0.08 0.00 -1.53 0.00 0.00 36.38 34.43 3msp s VAL 68 CO 0.09 -0.12 0.74 -0.76 -3.33 0.00 0.00 175.10 171.72 3msp s LEU 69 N -0.54 3.99 0.15 2.54 1.43 -1.26 -2.26 118.68 122.73 3msp s LEU 69 Ca -0.04 1.21 0.03 0.00 -1.03 0.00 0.00 54.13 54.30 3msp s LEU 69 Cb -0.04 -4.04 -0.04 0.00 0.03 0.00 0.00 46.19 42.10 3msp s LEU 69 CO -0.00 -0.26 -0.06 -0.32 0.23 0.00 0.00 176.35 175.94 3msp s MET 70 N -3.27 1.04 -0.15 1.70 1.75 0.19 -4.41 119.30 116.14 3msp s MET 70 Ca 0.53 -1.46 -0.05 0.00 -1.25 0.00 0.00 55.69 53.46 3msp s MET 70 Cb -0.10 -0.42 0.07 0.00 2.84 0.00 0.00 34.83 37.22 3msp s MET 70 CO 0.22 -0.02 0.27 0.00 -0.65 0.00 0.00 175.02 174.84 3msp s ALA 71 N -3.50 -0.56 -0.80 4.11 0.00 0.23 -2.12 121.76 119.13 3msp s ALA 71 Ca 0.18 0.86 -0.06 0.00 0.00 0.00 0.00 51.96 52.94 3msp s ALA 71 Cb 0.04 -1.10 0.20 0.00 0.00 0.00 0.00 23.12 22.27 3msp s ALA 71 CO 0.01 -0.75 0.68 0.08 0.00 0.00 0.00 175.76 175.78 3msp s VAL 72 N 2.42 4.56 0.51 0.00 1.01 -0.90 -0.12 120.40 127.89 3msp s VAL 72 Ca 0.02 -3.15 -0.23 0.00 0.00 0.00 0.00 61.98 58.63 3msp s VAL 72 Cb -0.13 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 3msp s VAL 72 CO -0.09 -1.00 1.34 -0.44 0.00 0.00 0.00 175.10 174.90 3msp s SER 73 N 0.85 5.55 -0.27 3.32 0.01 -0.72 -2.06 113.70 120.38 3msp s SER 73 Ca 0.21 2.72 -0.03 0.00 1.31 0.00 0.00 55.95 60.17 3msp s SER 73 Cb -0.13 -2.63 0.09 0.00 0.21 0.00 0.00 66.02 63.55 3msp s SER 73 CO -0.08 -1.38 0.10 0.00 0.41 0.00 0.00 173.24 172.29 3msp n ASP 75 N 5.08 0.97 -4.61 0.00 5.75 -0.97 -3.08 116.55 119.68 3msp n ASP 75 Ca -0.05 0.79 -0.43 0.00 -0.01 0.00 0.00 54.79 55.09 3msp n ASP 75 Cb 0.44 -1.42 -0.03 0.00 -1.03 0.00 0.00 41.12 39.08 3msp n ASP 75 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3msp s THR 76 N -1.51 3.49 0.47 2.12 -4.23 -1.26 -4.87 115.64 109.84 3msp s THR 76 Ca 0.78 0.53 0.02 0.00 -1.18 0.00 0.00 61.69 61.84 3msp s THR 76 Cb -0.40 -3.57 -0.02 0.00 1.34 0.00 0.00 72.50 69.85 3msp s THR 76 CO 0.45 -0.30 0.05 0.72 -0.54 0.00 0.00 174.62 175.00 3msp s PHE 77 N 6.22 1.86 -0.52 3.99 -0.71 -0.18 -4.94 117.98 123.70 3msp s PHE 77 Ca 0.79 -1.07 0.04 0.00 -1.04 0.00 0.00 56.93 55.66 3msp s PHE 77 Cb -0.26 -1.45 0.13 0.00 -1.21 0.00 0.00 43.02 40.23 3msp s PHE 77 CO 0.33 0.05 0.26 1.21 -1.34 0.00 0.00 175.22 175.73 3msp s ASN 78 N -3.78 4.32 0.58 1.98 3.84 -1.26 -4.38 114.94 116.24 3msp s ASN 78 Ca 0.13 -3.02 0.28 0.00 0.21 0.00 0.00 52.86 50.46 3msp s ASN 78 Cb 0.02 -1.64 1.55 0.00 -0.55 0.00 0.00 41.25 40.63 3msp s ASN 78 CO 0.08 -0.23 2.02 0.00 -2.79 0.00 0.00 177.10 176.18 3msp h ALA 79 N 6.49 2.04 -0.50 1.71 0.00 -1.90 -1.89 119.26 125.21 3msp h ALA 79 Ca -0.08 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.92 3msp h ALA 79 Cb 0.89 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 3msp h ALA 79 CO 0.69 -0.47 -0.05 0.00 0.00 0.00 0.00 179.25 179.42 3msp h ALA 80 N 1.68 0.42 -1.43 0.00 0.00 -2.02 -3.02 119.26 114.90 3msp h ALA 80 Ca 0.15 0.17 -0.53 0.00 0.00 0.00 0.00 54.91 54.70 3msp h ALA 80 Cb 0.77 0.31 -0.41 0.00 0.00 0.00 0.00 17.79 18.46 3msp h ALA 80 CO -0.00 -0.41 -0.86 0.25 0.00 0.00 0.00 179.25 178.23 3msp n THR 81 N -5.29 1.99 -4.19 0.00 -2.24 -0.74 -5.06 114.28 98.76 3msp n THR 81 Ca 0.05 -4.47 -0.11 0.00 -2.27 0.00 0.00 64.05 57.25 3msp n THR 81 Cb 0.28 -0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 67.66 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 -3.41 0.93 0.00 -0.78 0.41 -1.00 -4.97 118.70 109.89 3msp s GLU 82 Ca 0.42 -1.42 -0.30 0.00 -0.41 0.00 0.00 54.97 53.27 3msp s GLU 82 Cb 0.41 -0.14 -0.03 0.00 -1.78 0.00 0.00 34.13 32.59 3msp s GLU 82 CO -0.13 -0.10 0.97 0.16 -0.49 0.00 0.00 175.26 175.68 3msp s ASP 83 N -3.08 7.37 -0.44 -0.19 1.47 -1.26 -4.90 116.67 115.63 3msp s ASP 83 Ca 0.18 1.66 0.08 0.00 1.18 0.00 0.00 52.55 55.65 3msp s ASP 83 Cb 0.06 -2.57 0.41 0.00 -0.34 0.00 0.00 42.92 40.48 3msp s ASP 83 CO -0.01 -0.25 1.01 0.18 0.68 0.00 0.00 175.17 176.78 3msp n LEU 84 N 3.85 3.65 -0.02 2.11 4.77 -1.26 -4.73 117.00 125.37 3msp n LEU 84 Ca 0.06 -4.98 0.01 0.00 -0.03 0.00 0.00 56.01 51.07 3msp n LEU 84 Cb 0.51 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 3msp n LEU 84 CO 0.52 2.13 -0.65 -3.20 -1.33 0.00 0.00 177.39 174.86 3msp n ASN 85 N -0.28 3.19 0.00 -1.43 2.85 -1.26 -4.87 115.26 113.46 3msp n ASN 85 Ca 0.30 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.77 3msp n ASN 85 Cb 0.64 1.11 0.00 0.00 1.24 0.00 0.00 39.78 42.77 3msp n ASN 85 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3msp n ASN 86 N -1.96 0.00 -3.32 1.20 5.03 -1.26 -4.95 115.26 110.00 3msp n ASN 86 Ca -0.05 0.00 -0.20 0.00 0.87 0.00 0.00 54.58 55.20 3msp n ASN 86 Cb 0.40 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 39.18 3msp n ASN 86 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3msp n ASP 87 N 0.00 -6.14 -3.64 6.41 5.75 -1.26 -4.80 116.55 112.87 3msp n ASP 87 Ca 0.00 0.17 -0.07 0.00 -0.01 0.00 0.00 54.79 54.88 3msp n ASP 87 Cb 0.00 -1.90 -0.07 0.00 -1.03 0.00 0.00 41.12 38.12 3msp n ASP 87 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3msp s ARG 88 N -1.81 0.49 0.33 0.11 0.52 -1.26 -2.32 118.95 115.01 3msp s ARG 88 Ca 0.20 0.70 0.10 0.00 -0.52 0.00 0.00 55.73 56.21 3msp s ARG 88 Cb -0.02 0.18 -0.06 0.00 0.52 0.00 0.00 34.95 35.56 3msp s ARG 88 CO 0.50 -0.08 -0.12 0.42 0.02 0.00 0.00 175.30 176.04 3msp s ILE 89 N 0.80 2.32 -0.20 1.52 1.01 -0.62 -1.24 121.20 124.79 3msp s ILE 89 Ca -0.03 -2.25 -0.04 0.00 0.00 0.00 0.00 60.65 58.33 3msp s ILE 89 Cb -0.04 -2.57 0.10 0.00 0.01 0.00 0.00 42.46 39.96 3msp s ILE 89 CO -0.11 -0.25 0.34 -0.89 0.00 0.00 0.00 174.94 174.03 3msp s THR 90 N -2.58 -0.53 -0.47 2.92 2.01 -0.22 -1.89 115.64 114.88 3msp s THR 90 Ca 0.32 0.06 -0.06 0.00 0.31 0.00 0.00 61.69 62.32 3msp s THR 90 Cb 0.00 -0.67 0.12 0.00 0.01 0.00 0.00 72.50 71.96 3msp s THR 90 CO 0.16 -0.03 0.30 -0.63 -0.69 0.00 0.00 174.62 173.73 3msp s ILE 91 N 2.50 3.74 -0.12 1.82 1.09 -0.55 -1.76 121.20 127.92 3msp s ILE 91 Ca 0.06 -2.07 -0.05 0.00 -1.10 0.00 0.00 60.65 57.49 3msp s ILE 91 Cb -0.14 -3.50 -0.04 0.00 -1.06 0.00 0.00 42.46 37.72 3msp s ILE 91 CO -0.13 -0.75 0.08 -1.61 -0.10 0.00 0.00 174.94 172.43 3msp s GLU 92 N 1.07 3.41 0.03 2.79 8.01 -0.94 -2.41 118.70 130.66 3msp s GLU 92 Ca 0.08 -0.26 0.00 0.00 0.01 0.00 0.00 54.97 54.81 3msp s GLU 92 Cb -0.24 -3.07 -0.02 0.00 -4.31 0.00 0.00 34.13 26.49 3msp s GLU 92 CO -0.03 0.65 -0.04 1.67 0.01 0.00 0.00 175.26 177.52 3msp s TRP 93 N -0.69 0.36 -0.12 1.61 -2.14 -0.69 -0.89 118.94 116.40 3msp s TRP 93 Ca 0.12 -0.54 -0.07 0.00 2.66 0.00 0.00 56.10 58.27 3msp s TRP 93 Cb -0.12 -0.24 0.04 0.00 -3.10 0.00 0.00 33.47 30.05 3msp s TRP 93 CO 0.03 -0.17 0.28 -0.08 -2.66 0.00 0.00 176.95 174.34 3msp s THR 94 N -1.51 -0.03 0.54 0.66 -1.32 -0.94 -2.35 115.64 110.68 3msp s THR 94 Ca -0.14 0.11 -0.20 0.00 -1.21 0.00 0.00 61.69 60.24 3msp s THR 94 Cb -0.09 -0.42 -0.07 0.00 -1.51 0.00 0.00 72.50 70.40 3msp s THR 94 CO -0.01 0.04 0.90 0.59 -2.21 0.00 0.00 174.62 173.94 3msp n ASN 95 N 3.95 0.62 -4.88 8.08 4.13 -1.26 -1.48 115.26 124.41 3msp n ASN 95 Ca -0.22 0.87 -0.36 0.00 1.68 0.00 0.00 54.58 56.55 3msp n ASN 95 Cb 0.54 -1.34 -0.06 0.00 -1.54 0.00 0.00 39.78 37.39 3msp n ASN 95 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3msp s THR 96 N -1.47 5.36 0.96 3.41 -4.23 -1.20 -4.82 115.64 113.64 3msp s THR 96 Ca 0.70 0.21 -0.13 0.00 -1.18 0.00 0.00 61.69 61.29 3msp s THR 96 Cb -0.47 -3.53 0.04 0.00 1.34 0.00 0.00 72.50 69.89 3msp s THR 96 CO 0.51 0.46 0.35 -2.65 -0.54 0.00 0.00 174.62 172.76 3msp n PRO 97 N 1.44 -0.37 -1.59 3.99 -0.02 -1.26 -4.73 135.00 132.46 3msp n PRO 97 Ca -0.14 -0.07 -0.57 0.00 -2.02 0.00 0.00 63.50 60.70 3msp n PRO 97 Cb 0.53 -1.83 -0.08 0.00 -0.02 0.00 0.00 33.50 32.11 3msp n PRO 97 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3msp n ASP 98 N -1.24 2.02 -3.93 2.55 9.92 -1.26 -0.99 116.55 123.62 3msp n ASP 98 Ca 0.06 0.87 -0.26 0.00 -0.53 0.00 0.00 54.79 54.94 3msp n ASP 98 Cb 0.54 -1.12 -0.02 0.00 -0.64 0.00 0.00 41.12 39.89 3msp n ASP 98 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3msp n GLY 99 N 5.20 -0.28 2.52 0.44 0.00 -1.26 -4.83 105.19 106.98 3msp n GLY 99 Ca 0.34 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 46.13 3msp n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3msp n ALA 100 N -4.39 6.68 -1.26 4.61 0.00 -0.17 -4.94 120.51 121.04 3msp n ALA 100 Ca -0.30 -3.93 0.14 0.00 0.00 0.00 0.00 53.44 49.36 3msp n ALA 100 Cb 0.68 -3.07 -0.07 0.00 0.00 0.00 0.00 19.45 16.99 3msp n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3msp n ALA 101 N 3.11 -3.34 -3.23 0.00 0.00 -1.26 -4.56 120.51 111.23 3msp n ALA 101 Ca 0.63 0.66 -0.40 0.00 0.00 0.00 0.00 53.44 54.33 3msp n ALA 101 Cb 0.28 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.39 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 -3.97 3.72 0.00 0.00 5.02 -1.26 -4.95 118.16 116.72 3msp n LYS 102 Ca -0.06 -4.54 0.00 0.00 -2.02 0.00 0.00 58.31 51.69 3msp n LYS 102 Cb 0.59 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 3msp n LYS 102 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3msp n GLN 103 N 1.68 0.00 -1.98 1.97 0.00 -1.26 -5.05 117.38 112.74 3msp n GLN 103 Ca 0.25 0.00 -0.36 0.00 -0.00 0.00 0.00 57.00 56.90 3msp n GLN 103 Cb 0.36 0.00 0.04 0.00 0.00 0.00 0.00 30.24 30.64 3msp n GLN 103 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 3msp s PHE 104 N -1.78 2.39 0.01 3.69 5.36 -1.26 -4.92 117.98 121.46 3msp s PHE 104 Ca 0.00 1.52 -0.01 0.00 -0.96 0.00 0.00 56.93 57.48 3msp s PHE 104 Cb 0.00 -3.47 -0.01 0.00 -0.34 0.00 0.00 43.02 39.20 3msp s PHE 104 CO 0.00 -2.20 -0.00 1.03 -1.46 0.00 0.00 175.22 172.59 3msp s ARG 105 N -3.38 0.23 0.27 10.12 0.52 -1.26 -5.04 118.95 120.41 3msp s ARG 105 Ca 0.77 -0.40 0.17 0.00 -0.52 0.00 0.00 55.73 55.76 3msp s ARG 105 Cb -0.30 0.08 0.09 0.00 0.52 0.00 0.00 34.95 35.34 3msp s ARG 105 CO 0.34 -0.04 1.36 -0.09 0.02 0.00 0.00 175.30 176.89 3msp h ARG 106 N 5.09 0.00 0.00 3.54 2.43 -2.03 -3.25 114.38 120.16 3msp h ARG 106 Ca -0.29 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 3msp h ARG 106 Cb 1.21 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3msp h ARG 106 CO 0.44 0.34 -0.09 1.05 -1.51 0.00 0.00 179.97 180.19 3msp h GLU 107 N 0.00 0.00 -0.01 0.20 4.11 -1.96 -2.70 114.58 114.23 3msp h GLU 107 Ca -0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 3msp h GLU 107 Cb 1.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 3msp h GLU 107 CO 0.05 0.09 -0.14 -1.49 0.07 0.00 0.00 179.01 177.59 3msp h TRP 108 N 0.00 0.01 0.00 2.06 6.55 -1.95 -2.15 115.95 120.47 3msp h TRP 108 Ca -0.00 -0.00 -0.16 0.00 0.95 0.00 0.00 58.89 59.68 3msp h TRP 108 Cb 0.48 -0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.75 3msp h TRP 108 CO 0.00 0.15 -1.08 0.74 -1.05 0.00 0.00 178.44 177.20 3msp h PHE 109 N 0.01 0.00 -2.18 0.49 -1.00 -1.69 -3.37 116.94 109.19 3msp h PHE 109 Ca 0.00 0.00 -0.70 0.00 2.81 0.00 0.00 57.97 60.08 3msp h PHE 109 Cb 0.25 0.00 -0.35 0.00 3.61 0.00 0.00 35.95 39.47 3msp h PHE 109 CO 0.00 0.63 0.19 1.04 -1.61 0.00 0.00 178.31 178.57 3msp n GLN 110 N -3.07 4.13 0.00 1.51 6.02 -0.82 -4.96 117.38 120.19 3msp n GLN 110 Ca -0.05 -4.64 0.00 0.00 -0.01 0.00 0.00 57.00 52.30 3msp n GLN 110 Cb 0.83 -2.34 0.00 0.00 1.02 0.00 0.00 30.24 29.75 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 -0.22 3.28 3.86 1.08 0.00 -1.13 -4.90 105.19 107.16 3msp n GLY 111 Ca 0.40 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 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 2.00 6.72 0.00 1.61 1.01 -1.26 -4.96 116.67 121.78 3msp s ASP 112 Ca 0.00 0.94 0.00 0.00 0.71 0.00 0.00 52.55 54.20 3msp s ASP 112 Cb 0.00 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.69 3msp s ASP 112 CO 0.00 0.08 0.00 0.61 0.21 0.00 0.00 175.17 176.07 3msp n GLY 113 N 0.61 2.45 3.76 0.21 0.00 -1.26 -4.97 105.19 105.98 3msp n GLY 113 Ca -0.05 -1.38 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 3msp n GLY 113 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3msp s MET 114 N -5.29 2.90 -0.08 1.61 -1.94 -1.26 -5.00 119.30 110.25 3msp s MET 114 Ca 0.00 1.61 0.02 0.00 -1.71 0.00 0.00 55.69 55.61 3msp s MET 114 Cb 0.00 -1.94 0.01 0.00 2.01 0.00 0.00 34.83 34.91 3msp s MET 114 CO 0.00 -1.21 -0.12 0.08 -0.01 0.00 0.00 175.02 173.76 3msp s VAL 115 N -1.94 1.16 0.17 -6.03 1.01 -1.26 -4.45 120.40 109.06 3msp s VAL 115 Ca 0.72 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 3msp s VAL 115 Cb -0.25 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 3msp s VAL 115 CO 0.36 0.37 0.36 -0.60 0.00 0.00 0.00 175.10 175.59 3msp s ARG 116 N 0.82 3.54 -0.09 2.72 3.52 -0.99 -4.97 118.95 123.50 3msp s ARG 116 Ca -0.11 -0.28 -0.04 0.00 -0.13 0.00 0.00 55.73 55.17 3msp s ARG 116 Cb -0.15 -2.87 0.04 0.00 -1.56 0.00 0.00 34.95 30.41 3msp s ARG 116 CO 0.02 0.45 0.20 -0.98 -0.81 0.00 0.00 175.30 174.17 3msp s ARG 117 N -3.02 0.15 0.31 5.12 1.70 -1.26 -1.70 118.95 120.25 3msp s ARG 117 Ca 0.39 0.45 0.10 0.00 -0.47 0.00 0.00 55.73 56.19 3msp s ARG 117 Cb -0.12 -0.15 -0.05 0.00 -0.57 0.00 0.00 34.95 34.06 3msp s ARG 117 CO 0.28 -0.16 -0.02 0.15 -1.08 0.00 0.00 175.30 174.46 3msp s LYS 118 N 1.21 2.08 0.06 3.89 1.02 -1.01 -4.97 119.74 122.02 3msp s LYS 118 Ca -0.09 -1.66 0.04 0.00 0.02 0.00 0.00 55.97 54.29 3msp s LYS 118 Cb -0.11 -1.97 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 3msp s LYS 118 CO -0.07 0.23 -0.13 -0.80 -0.92 0.00 0.00 175.35 173.66 3msp s ASN 119 N -3.67 1.46 -0.30 2.83 0.01 -1.26 -1.48 114.94 112.52 3msp s ASN 119 Ca 0.33 -0.57 -0.02 0.00 -0.71 0.00 0.00 52.86 51.89 3msp s ASN 119 Cb -0.03 -0.04 0.12 0.00 0.41 0.00 0.00 41.25 41.72 3msp s ASN 119 CO 0.19 -0.09 0.22 -0.76 -1.51 0.00 0.00 177.10 175.14 3msp s LEU 120 N -1.61 0.24 0.66 0.60 1.43 -0.79 -4.92 118.68 114.30 3msp s LEU 120 Ca -0.03 -1.19 -0.17 0.00 -1.03 0.00 0.00 54.13 51.71 3msp s LEU 120 Cb -0.10 0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.15 3msp s LEU 120 CO 0.02 -0.40 1.13 -2.65 0.23 0.00 0.00 176.35 174.68 3msp n PRO 121 N 5.10 0.86 -4.00 1.29 -0.02 -1.26 -1.59 135.00 135.37 3msp n PRO 121 Ca -0.02 0.35 -0.23 0.00 -2.02 0.00 0.00 63.50 61.58 3msp n PRO 121 Cb 0.43 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 3msp n PRO 121 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3msp s ILE 122 N -1.56 5.08 0.03 4.25 -1.09 -0.98 -2.54 121.20 124.38 3msp s ILE 122 Ca 0.79 -0.99 -0.00 0.00 -2.23 0.00 0.00 60.65 58.21 3msp s ILE 122 Cb -0.38 -3.71 -0.03 0.00 -1.58 0.00 0.00 42.46 36.77 3msp s ILE 122 CO 0.45 -0.25 -0.03 -1.61 -1.23 0.00 0.00 174.94 172.27 3msp s GLU 123 N -3.69 0.42 -0.23 2.79 2.02 0.71 -4.78 118.70 115.94 3msp s GLU 123 Ca 0.34 -0.83 0.02 0.00 0.02 0.00 0.00 54.97 54.52 3msp s GLU 123 Cb -0.09 0.15 0.05 0.00 0.10 0.00 0.00 34.13 34.33 3msp s GLU 123 CO 0.28 -0.07 -0.14 0.71 0.02 0.00 0.00 175.26 176.06 3msp s TYR 124 N -2.36 3.10 -0.99 1.61 2.02 -1.26 0.55 117.35 120.02 3msp s TYR 124 Ca -0.08 -2.07 -0.08 0.00 -0.37 0.00 0.00 57.07 54.47 3msp s TYR 124 Cb -0.03 -1.93 0.25 0.00 -0.40 0.00 0.00 41.96 39.84 3msp s TYR 124 CO -0.04 -0.85 0.94 1.21 -1.57 0.00 0.00 175.55 175.24 3msp s ASN 125 N 1.17 6.83 0.00 2.29 2.47 -0.95 -4.99 114.94 121.76 3msp s ASN 125 Ca -0.04 -3.42 0.11 0.00 0.42 0.00 0.00 52.86 49.93 3msp s ASN 125 Cb -0.18 -2.13 0.67 0.00 -1.45 0.00 0.00 41.25 38.17 3msp s ASN 125 CO -0.08 -0.32 1.11 0.18 -3.72 0.00 0.00 177.10 174.27