#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 1.61 0.55 0.00 2.00 -1.26 -5.15 119.66 117.41 3msp s GLN 2 Ca 0.00 -1.01 0.00 0.00 -2.00 0.00 0.00 55.36 52.35 3msp s GLN 2 Cb 0.00 0.47 0.00 0.00 0.80 0.00 0.00 33.01 34.28 3msp s GLN 2 CO 0.00 -0.75 0.00 -1.13 -0.50 0.00 0.00 175.29 172.91 3msp n SER 3 N -1.14 -8.52 -3.74 6.67 3.41 -1.26 -5.05 113.62 104.00 3msp n SER 3 Ca -0.05 1.49 -0.13 0.00 -0.26 0.00 0.00 58.87 59.92 3msp n SER 3 Cb 0.60 -4.90 -0.11 0.00 -0.26 0.00 0.00 64.21 59.54 3msp n SER 3 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3msp s VAL 4 N -4.22 -0.01 0.37 -3.33 0.11 -1.26 -5.14 120.40 106.92 3msp s VAL 4 Ca 0.00 0.03 -0.27 0.00 -2.93 0.00 0.00 61.98 58.81 3msp s VAL 4 Cb 0.00 -0.50 -0.09 0.00 -1.53 0.00 0.00 36.38 34.26 3msp s VAL 4 CO 0.00 0.01 1.23 -2.16 -3.33 0.00 0.00 175.10 170.85 3msp s PRO 5 N 0.45 4.20 0.26 1.54 0.04 -1.26 -4.69 135.00 135.53 3msp s PRO 5 Ca -0.02 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 3msp s PRO 5 Cb -0.04 -2.88 -0.09 0.00 0.04 0.00 0.00 34.50 31.53 3msp s PRO 5 CO -0.02 -0.25 1.15 -1.25 0.04 0.00 0.00 177.00 176.66 3msp s PRO 6 N -2.03 4.57 -0.26 0.56 0.04 -1.26 -4.92 135.00 131.70 3msp s PRO 6 Ca 0.53 1.87 -0.33 0.00 0.04 0.00 0.00 61.00 63.11 3msp s PRO 6 Cb -0.35 -3.19 -0.09 0.00 0.04 0.00 0.00 34.50 30.91 3msp s PRO 6 CO 0.45 0.09 2.15 0.41 0.04 0.00 0.00 177.00 180.14 3msp n GLY 7 N 1.40 0.85 3.53 0.56 0.00 -1.26 -4.86 105.19 105.40 3msp n GLY 7 Ca 0.00 0.87 -0.45 0.00 0.00 0.00 0.00 46.02 46.44 3msp n GLY 7 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3msp n ASP 8 N 9.92 0.44 -4.46 1.61 5.75 -1.26 -4.47 116.55 124.09 3msp n ASP 8 Ca 0.34 1.15 -0.30 0.00 -0.01 0.00 0.00 54.79 55.97 3msp n ASP 8 Cb 0.32 -1.18 -0.12 0.00 -1.03 0.00 0.00 41.12 39.10 3msp n ASP 8 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3msp s ILE 9 N -1.07 2.73 0.08 2.12 -4.36 -1.26 -0.94 121.20 118.49 3msp s ILE 9 Ca 0.60 -1.35 -0.10 0.00 -0.26 0.00 0.00 60.65 59.55 3msp s ILE 9 Cb -0.76 -2.19 -0.06 0.00 1.25 0.00 0.00 42.46 40.71 3msp s ILE 9 CO 0.59 0.24 0.40 0.20 0.24 0.00 0.00 174.94 176.60 3msp s ASN 10 N -1.72 6.64 0.01 4.36 0.01 -0.75 -4.90 114.94 118.60 3msp s ASN 10 Ca 0.16 0.79 0.01 0.00 -0.71 0.00 0.00 52.86 53.11 3msp s ASN 10 Cb -0.10 -2.18 -0.01 0.00 0.41 0.00 0.00 41.25 39.37 3msp s ASN 10 CO 0.07 0.18 -0.05 0.42 -1.51 0.00 0.00 177.10 176.21 3msp s THR 11 N -1.39 0.34 -0.18 1.60 -4.23 -1.26 -2.21 115.64 108.30 3msp s THR 11 Ca 0.33 -0.51 -0.02 0.00 -1.18 0.00 0.00 61.69 60.31 3msp s THR 11 Cb -0.14 -0.35 0.06 0.00 1.34 0.00 0.00 72.50 73.40 3msp s THR 11 CO 0.18 -0.12 0.01 -1.10 -0.54 0.00 0.00 174.62 173.06 3msp s GLN 12 N -0.67 0.84 0.91 3.99 -1.52 -0.84 -1.84 119.66 120.53 3msp s GLN 12 Ca -0.04 -0.45 -0.11 0.00 -1.95 0.00 0.00 55.36 52.81 3msp s GLN 12 Cb -0.05 -2.06 0.14 0.00 -0.22 0.00 0.00 33.01 30.83 3msp s GLN 12 CO -0.00 -0.58 1.11 -1.25 -0.25 0.00 0.00 175.29 174.32 3msp s PRO 13 N 1.79 1.08 -0.01 2.91 0.04 -1.26 -2.52 135.00 137.03 3msp s PRO 13 Ca -0.01 1.28 0.07 0.00 0.04 0.00 0.00 61.00 62.38 3msp s PRO 13 Cb -0.17 -1.75 -0.11 0.00 0.04 0.00 0.00 34.50 32.51 3msp s PRO 13 CO -0.07 -2.50 0.14 -1.13 0.04 0.00 0.00 177.00 173.48 3msp n SER 14 N -4.12 3.42 -0.13 6.66 3.41 -0.77 -4.76 113.62 117.34 3msp n SER 14 Ca 0.09 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.43 3msp n SER 14 Cb 0.53 1.28 -0.11 0.00 -0.26 0.00 0.00 64.21 65.66 3msp n SER 14 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3msp n GLN 15 N -1.76 0.59 -3.62 4.33 -0.06 -1.26 -4.96 117.38 110.64 3msp n GLN 15 Ca -0.02 0.33 -0.04 0.00 -2.00 0.00 0.00 57.00 55.27 3msp n GLN 15 Cb 0.21 -1.55 -0.04 0.00 -4.06 0.00 0.00 30.24 24.79 3msp n GLN 15 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 3msp s LYS 16 N -2.48 0.22 0.14 3.69 -2.85 -1.26 -4.27 119.74 112.93 3msp s LYS 16 Ca -0.36 0.02 0.04 0.00 -1.00 0.00 0.00 55.97 54.67 3msp s LYS 16 Cb 0.13 0.10 -0.04 0.00 -2.06 0.00 0.00 37.83 35.96 3msp s LYS 16 CO 0.52 -0.08 0.11 -1.50 0.10 0.00 0.00 175.35 174.50 3msp s ILE 17 N -1.34 4.45 -0.30 3.79 2.07 -0.84 -4.82 121.20 124.22 3msp s ILE 17 Ca 0.07 -0.99 -0.03 0.00 -1.41 0.00 0.00 60.65 58.29 3msp s ILE 17 Cb -0.01 -3.23 0.10 0.00 0.13 0.00 0.00 42.46 39.45 3msp s ILE 17 CO -0.05 -0.03 0.11 0.54 -1.91 0.00 0.00 174.94 173.60 3msp s VAL 18 N -1.62 0.38 -0.15 4.00 0.11 -1.26 -0.62 120.40 121.23 3msp s VAL 18 Ca 0.30 -1.04 -0.29 0.00 -2.93 0.00 0.00 61.98 58.02 3msp s VAL 18 Cb -0.11 -1.29 -0.05 0.00 -1.53 0.00 0.00 36.38 33.40 3msp s VAL 18 CO 0.23 -0.69 1.96 -0.36 -3.33 0.00 0.00 175.10 172.91 3msp s PHE 19 N 1.87 1.48 0.30 1.54 0.08 0.48 -4.72 117.98 119.01 3msp s PHE 19 Ca 0.09 0.25 -0.28 0.00 0.12 0.00 0.00 56.93 57.11 3msp s PHE 19 Cb -0.17 -4.05 -0.09 0.00 -0.57 0.00 0.00 43.02 38.14 3msp s PHE 19 CO -0.31 -4.16 1.00 1.21 -0.10 0.00 0.00 175.22 172.86 3msp s ASN 20 N 5.98 7.34 1.10 1.36 2.47 -1.26 -2.37 114.94 129.55 3msp s ASN 20 Ca 0.88 2.01 -0.13 0.00 0.42 0.00 0.00 52.86 56.04 3msp s ASN 20 Cb -0.33 -2.60 0.24 0.00 -1.45 0.00 0.00 41.25 37.11 3msp s ASN 20 CO 0.35 -0.07 1.06 0.00 -3.72 0.00 0.00 177.10 174.72 3msp s ALA 21 N -1.37 0.26 0.87 1.71 0.00 -0.94 -4.77 121.76 117.52 3msp s ALA 21 Ca 0.47 -0.35 -0.12 0.00 0.00 0.00 0.00 51.96 51.96 3msp s ALA 21 Cb -0.25 -3.14 0.11 0.00 0.00 0.00 0.00 23.12 19.84 3msp s ALA 21 CO 0.31 -3.37 1.11 -2.14 0.00 0.00 0.00 175.76 171.67 3msp s PRO 22 N -4.80 1.52 -0.36 0.00 0.02 -1.26 -5.06 135.00 125.06 3msp s PRO 22 Ca 0.67 0.53 0.06 0.00 0.02 0.00 0.00 61.00 62.28 3msp s PRO 22 Cb -0.20 -1.86 0.51 0.00 0.02 0.00 0.00 34.50 32.96 3msp s PRO 22 CO 0.60 -1.99 1.55 0.66 -0.33 0.00 0.00 177.00 177.49 3msp n TYR 23 N -3.66 1.84 0.00 6.54 4.01 -1.26 -4.43 117.16 120.19 3msp n TYR 23 Ca 0.07 -1.92 0.02 0.00 -0.16 0.00 0.00 57.90 55.90 3msp n TYR 23 Cb 0.57 -0.64 0.03 0.00 -0.31 0.00 0.00 39.34 38.99 3msp n TYR 23 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3msp n ASP 24 N -1.04 1.98 -4.04 7.72 2.03 -1.26 -1.99 116.55 119.94 3msp n ASP 24 Ca 0.42 -1.76 -0.12 0.00 0.52 0.00 0.00 54.79 53.85 3msp n ASP 24 Cb 1.05 -0.05 -0.11 0.00 -0.72 0.00 0.00 41.12 41.29 3msp n ASP 24 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3msp s ASP 25 N -0.79 0.73 -0.37 1.67 2.15 -1.26 -4.88 116.67 113.92 3msp s ASP 25 Ca 0.06 -0.53 -0.28 0.00 0.43 0.00 0.00 52.55 52.22 3msp s ASP 25 Cb 0.03 0.05 -0.02 0.00 -0.30 0.00 0.00 42.92 42.68 3msp s ASP 25 CO 0.04 -0.22 1.86 -0.54 -0.17 0.00 0.00 175.17 176.14 3msp s LYS 26 N -1.53 3.17 -0.10 4.34 1.02 -1.26 -4.57 119.74 120.81 3msp s LYS 26 Ca -0.11 1.34 -0.02 0.00 0.02 0.00 0.00 55.97 57.20 3msp s LYS 26 Cb -0.10 -4.25 -0.03 0.00 -0.52 0.00 0.00 37.83 32.93 3msp s LYS 26 CO 0.00 -2.06 -0.02 -1.01 -0.92 0.00 0.00 175.35 171.34 3msp s HIS 27 N 7.52 3.09 -0.28 3.18 3.76 -1.26 -5.00 115.29 126.29 3msp s HIS 27 Ca 0.80 0.07 -0.03 0.00 -0.15 0.00 0.00 55.06 55.75 3msp s HIS 27 Cb -0.21 -1.81 0.03 0.00 1.11 0.00 0.00 32.58 31.70 3msp s HIS 27 CO 0.31 0.35 0.00 0.99 -0.85 0.00 0.00 174.74 175.54 3msp s THR 28 N -0.63 3.21 -0.39 1.30 2.01 -1.26 -2.48 115.64 117.40 3msp s THR 28 Ca 0.10 -1.09 -0.11 0.00 0.31 0.00 0.00 61.69 60.90 3msp s THR 28 Cb -0.12 -2.73 0.04 0.00 0.01 0.00 0.00 72.50 69.71 3msp s THR 28 CO 0.02 0.04 0.23 -0.31 -0.69 0.00 0.00 174.62 173.90 3msp s TYR 29 N 1.34 3.27 0.45 4.92 1.51 -0.95 -4.91 117.35 122.98 3msp s TYR 29 Ca -0.01 -1.13 -0.20 0.00 -1.01 0.00 0.00 57.07 54.71 3msp s TYR 29 Cb -0.18 -2.60 -0.10 0.00 -0.11 0.00 0.00 41.96 38.97 3msp s TYR 29 CO -0.01 -0.71 0.96 -1.01 -1.11 0.00 0.00 175.55 173.67 3msp s HIS 30 N 1.52 3.33 0.10 2.71 3.76 -1.26 -1.74 115.29 123.70 3msp s HIS 30 Ca 0.02 1.57 0.08 0.00 -0.15 0.00 0.00 55.06 56.58 3msp s HIS 30 Cb -0.20 -2.85 -0.03 0.00 1.11 0.00 0.00 32.58 30.61 3msp s HIS 30 CO 0.05 -0.21 -0.20 0.42 -0.85 0.00 0.00 174.74 173.96 3msp s ILE 31 N -2.28 1.61 -0.25 0.60 -1.09 -0.80 -4.88 121.20 114.11 3msp s ILE 31 Ca 0.61 -1.51 -0.08 0.00 -2.23 0.00 0.00 60.65 57.45 3msp s ILE 31 Cb -0.10 -1.48 -0.03 0.00 -1.58 0.00 0.00 42.46 39.27 3msp s ILE 31 CO 0.18 -0.09 0.09 -0.75 -1.23 0.00 0.00 174.94 173.14 3msp s LYS 32 N -1.89 3.73 -0.09 2.79 2.20 -1.05 -1.73 119.74 123.70 3msp s LYS 32 Ca 0.05 -0.44 0.04 0.00 -0.36 0.00 0.00 55.97 55.26 3msp s LYS 32 Cb -0.10 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 3msp s LYS 32 CO 0.04 -0.16 -0.21 0.42 -0.36 0.00 0.00 175.35 175.07 3msp s ILE 33 N 1.57 1.86 0.04 5.43 1.01 -1.06 -1.98 121.20 128.07 3msp s ILE 33 Ca 0.06 -0.90 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 3msp s ILE 33 Cb -0.15 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 3msp s ILE 33 CO 0.05 0.52 -0.03 -0.89 0.00 0.00 0.00 174.94 174.58 3msp s THR 34 N 0.40 0.19 -0.36 2.92 2.01 -0.94 -1.31 115.64 118.55 3msp s THR 34 Ca -0.18 -1.37 -0.19 0.00 0.31 0.00 0.00 61.69 60.26 3msp s THR 34 Cb -0.17 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.43 3msp s THR 34 CO 0.08 -0.74 0.57 0.21 -0.69 0.00 0.00 174.62 174.05 3msp s ASN 35 N -2.20 6.36 -0.12 3.53 3.04 -0.97 -1.81 114.94 122.78 3msp s ASN 35 Ca -0.04 -0.00 0.09 0.00 0.04 0.00 0.00 52.86 52.94 3msp s ASN 35 Cb -0.01 -2.29 0.46 0.00 -1.54 0.00 0.00 41.25 37.86 3msp s ASN 35 CO -0.05 -0.56 1.23 0.00 -3.04 0.00 0.00 177.10 174.68 3msp n ALA 36 N 5.91 3.17 -2.95 1.71 0.00 -0.12 -1.67 120.51 126.55 3msp n ALA 36 Ca -0.03 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.37 3msp n ALA 36 Cb 0.49 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.48 5.04 2.62 0.00 0.00 -1.24 -4.64 105.19 107.45 3msp n GLY 37 Ca 0.16 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 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 1.63 3.61 -0.02 0.00 -1.26 -4.18 105.19 109.97 3msp n GLY 38 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.63 0.41 0.23 1.61 0.52 -1.26 -4.93 118.95 113.91 3msp s ARG 39 Ca 0.26 -0.19 -0.30 0.00 -0.52 0.00 0.00 55.73 54.98 3msp s ARG 39 Cb 0.41 0.16 -0.09 0.00 0.52 0.00 0.00 34.95 35.96 3msp s ARG 39 CO -0.03 -0.19 1.19 1.03 0.02 0.00 0.00 175.30 177.33 3msp s ARG 40 N -2.50 4.51 -0.11 3.54 0.52 -1.26 -4.15 118.95 119.50 3msp s ARG 40 Ca 0.11 1.91 -0.03 0.00 -0.52 0.00 0.00 55.73 57.20 3msp s ARG 40 Cb 0.01 -3.20 0.05 0.00 0.52 0.00 0.00 34.95 32.33 3msp s ARG 40 CO -0.04 -0.03 0.07 0.96 0.02 0.00 0.00 175.30 176.28 3msp s ILE 41 N -0.51 -0.00 -0.06 1.52 -4.36 -0.91 -2.47 121.20 114.41 3msp s ILE 41 Ca 0.50 0.06 -0.30 0.00 -0.26 0.00 0.00 60.65 60.66 3msp s ILE 41 Cb -0.34 -0.44 -0.04 0.00 1.25 0.00 0.00 42.46 42.89 3msp s ILE 41 CO 0.40 -0.04 1.41 -0.83 0.24 0.00 0.00 174.94 176.12 3msp s GLY 42 N 2.11 1.74 0.24 6.27 0.00 -0.50 -1.68 107.32 115.50 3msp s GLY 42 Ca 0.03 0.77 0.10 0.00 0.00 0.00 0.00 44.72 45.62 3msp s GLY 42 CO -0.06 2.61 -0.07 0.66 0.00 0.00 0.00 173.10 176.24 3msp s TRP 43 N 3.04 2.61 -0.19 1.90 1.48 -0.64 -2.26 118.94 124.88 3msp s TRP 43 Ca 0.63 -0.24 -0.15 0.00 -1.06 0.00 0.00 56.10 55.29 3msp s TRP 43 Cb -0.29 -1.20 0.05 0.00 -1.16 0.00 0.00 33.47 30.88 3msp s TRP 43 CO 0.24 0.59 0.49 0.00 -4.06 0.00 0.00 176.95 174.21 3msp s ALA 44 N -2.12 -1.24 0.04 2.67 0.00 -0.54 -1.90 121.76 118.66 3msp s ALA 44 Ca 0.29 1.54 -0.14 0.00 0.00 0.00 0.00 51.96 53.65 3msp s ALA 44 Cb -0.07 -0.91 -0.06 0.00 0.00 0.00 0.00 23.12 22.08 3msp s ALA 44 CO 0.17 -0.26 0.43 0.42 0.00 0.00 0.00 175.76 176.52 3msp s ILE 45 N 0.75 5.02 -0.15 0.00 -1.09 -0.83 -2.54 121.20 122.36 3msp s ILE 45 Ca -0.04 0.76 -0.10 0.00 -2.23 0.00 0.00 60.65 59.04 3msp s ILE 45 Cb -0.05 -3.70 0.05 0.00 -1.58 0.00 0.00 42.46 37.17 3msp s ILE 45 CO -0.06 0.48 0.37 -0.54 -1.23 0.00 0.00 174.94 173.96 3msp s LYS 46 N -1.37 0.37 0.19 2.79 -0.14 -0.65 -4.96 119.74 115.97 3msp s LYS 46 Ca 0.28 0.66 0.06 0.00 -1.36 0.00 0.00 55.97 55.61 3msp s LYS 46 Cb -0.16 0.03 -0.05 0.00 -1.68 0.00 0.00 37.83 35.97 3msp s LYS 46 CO 0.15 -0.13 -0.12 -0.08 -0.76 0.00 0.00 175.35 174.42 3msp s THR 47 N 1.01 1.50 0.22 2.17 -1.32 -1.26 0.11 115.64 118.07 3msp s THR 47 Ca -0.07 -2.15 -0.09 0.00 -1.21 0.00 0.00 61.69 58.17 3msp s THR 47 Cb -0.07 -2.00 0.22 0.00 -1.51 0.00 0.00 72.50 69.14 3msp s THR 47 CO -0.08 -0.63 1.66 0.71 -2.21 0.00 0.00 174.62 174.07 3msp h THR 48 N 2.63 0.46 -3.65 5.08 1.35 -1.80 -3.35 112.91 113.63 3msp h THR 48 Ca -0.38 -0.04 -0.68 0.00 -0.55 0.00 0.00 66.41 64.76 3msp h THR 48 Cb 1.21 0.32 -0.32 0.00 -1.73 0.00 0.00 68.15 67.63 3msp h THR 48 CO 0.63 0.02 -0.71 0.21 -0.25 0.00 0.00 175.52 175.42 3msp s ASN 49 N -5.23 4.68 -0.26 5.36 3.04 -1.26 -4.96 114.94 116.31 3msp s ASN 49 Ca -0.13 -1.05 0.09 0.00 0.04 0.00 0.00 52.86 51.80 3msp s ASN 49 Cb 0.20 -1.71 0.64 0.00 -1.54 0.00 0.00 41.25 38.84 3msp s ASN 49 CO 0.74 -0.20 1.61 0.23 -3.04 0.00 0.00 177.10 176.44 3msp n MET 50 N 4.67 3.47 -0.08 0.43 2.81 -1.26 -3.82 117.12 123.34 3msp n MET 50 Ca -0.15 -2.56 -0.15 0.00 -1.81 0.00 0.00 57.70 53.03 3msp n MET 50 Cb 0.45 -2.08 -0.06 0.00 -0.71 0.00 0.00 33.22 30.82 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 0.04 0.37 -0.08 0.03 1.74 -1.26 -4.77 116.66 112.73 3msp n ARG 51 Ca 0.32 0.13 -0.14 0.00 -0.77 0.00 0.00 57.85 57.39 3msp n ARG 51 Cb 1.19 -1.18 -0.12 0.00 -1.02 0.00 0.00 32.46 31.33 3msp n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3msp h ARG 52 N -0.35 0.00 -7.18 5.56 3.08 -1.98 -3.47 114.38 110.05 3msp h ARG 52 Ca -0.39 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.18 3msp h ARG 52 Cb 1.44 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.54 3msp h ARG 52 CO -0.17 0.92 0.38 -0.51 -1.07 0.00 0.00 179.97 179.51 3msp s LEU 53 N -8.18 3.58 -0.19 3.04 1.43 -1.25 -3.06 118.68 114.05 3msp s LEU 53 Ca -0.20 1.75 -0.04 0.00 -1.03 0.00 0.00 54.13 54.61 3msp s LEU 53 Cb -0.01 -4.53 0.08 0.00 0.03 0.00 0.00 46.19 41.76 3msp s LEU 53 CO 0.62 -0.93 0.19 -0.44 0.23 0.00 0.00 176.35 176.01 3msp s SER 54 N -2.79 1.54 0.00 2.29 0.01 -0.82 -4.78 113.70 109.16 3msp s SER 54 Ca 0.62 -0.26 -0.02 0.00 1.31 0.00 0.00 55.95 57.60 3msp s SER 54 Cb -0.14 0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 3msp s SER 54 CO 0.33 -0.32 0.19 0.68 0.41 0.00 0.00 173.24 174.52 3msp s VAL 55 N 2.28 5.42 -0.29 3.43 -7.23 -1.26 -1.93 120.40 120.82 3msp s VAL 55 Ca 0.05 -0.20 -0.14 0.00 -1.81 0.00 0.00 61.98 59.89 3msp s VAL 55 Cb -0.15 -3.55 0.13 0.00 0.56 0.00 0.00 36.38 33.37 3msp s VAL 55 CO -0.11 0.30 0.80 -0.62 -0.31 0.00 0.00 175.10 175.16 3msp s ASP 56 N -2.02 -0.85 0.20 4.85 -1.08 -0.63 -3.81 116.67 113.33 3msp s ASP 56 Ca 0.28 1.23 -0.30 0.00 -0.52 0.00 0.00 52.55 53.24 3msp s ASP 56 Cb -0.13 1.76 -0.08 0.00 -1.46 0.00 0.00 42.92 43.01 3msp s ASP 56 CO 0.20 -0.18 1.21 -2.16 0.52 0.00 0.00 175.17 174.76 3msp s PRO 57 N 2.26 4.49 0.03 4.34 0.04 -1.26 -1.47 135.00 143.43 3msp s PRO 57 Ca -0.06 1.90 0.20 0.00 0.04 0.00 0.00 61.00 63.08 3msp s PRO 57 Cb -0.08 -3.23 0.85 0.00 0.04 0.00 0.00 34.50 32.09 3msp s PRO 57 CO -0.18 -0.09 1.64 -0.35 0.04 0.00 0.00 177.00 178.06 3msp n PRO 58 N 2.39 0.03 -3.65 0.56 -0.04 -1.25 -4.79 135.00 128.25 3msp n PRO 58 Ca 0.04 0.19 -0.08 0.00 -0.04 0.00 0.00 63.50 63.61 3msp n PRO 58 Cb 0.44 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.40 -0.50 3.07 0.00 0.00 -0.80 -4.98 105.19 101.58 3msp n GLY 60 Ca -0.09 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.52 0.64 -0.17 1.61 1.01 -1.26 -1.63 120.40 117.08 3msp s VAL 61 Ca 0.00 -1.06 -0.00 0.00 0.00 0.00 0.00 61.98 60.92 3msp s VAL 61 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.71 3msp s VAL 61 CO 0.00 -0.32 -0.15 -0.76 0.00 0.00 0.00 175.10 173.87 3msp s LEU 62 N -1.50 2.43 0.83 3.92 2.01 -0.68 -4.93 118.68 120.77 3msp s LEU 62 Ca -0.08 -0.51 -0.12 0.00 0.01 0.00 0.00 54.13 53.44 3msp s LEU 62 Cb -0.09 -1.56 0.09 0.00 0.01 0.00 0.00 46.19 44.64 3msp s LEU 62 CO 0.01 0.05 1.14 -1.81 1.01 0.00 0.00 176.35 176.74 3msp s ASP 63 N 1.02 4.23 -0.12 2.29 1.11 -1.26 -2.15 116.67 121.78 3msp s ASP 63 Ca -0.01 1.00 -0.29 0.00 0.18 0.00 0.00 52.55 53.42 3msp s ASP 63 Cb -0.15 -1.61 -0.05 0.00 1.07 0.00 0.00 42.92 42.18 3msp s ASP 63 CO -0.04 -2.10 1.81 -2.16 1.18 0.00 0.00 175.17 173.86 3msp s PRO 64 N -5.35 3.85 -1.67 8.23 0.04 -1.26 -2.27 135.00 136.58 3msp s PRO 64 Ca 0.62 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.72 3msp s PRO 64 Cb -0.13 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.30 3msp s PRO 64 CO 0.52 -1.25 0.00 1.17 0.04 0.00 0.00 177.00 177.48 3msp n LYS 65 N 7.70 -1.48 -3.95 4.56 4.81 -0.67 -4.98 118.16 124.15 3msp n LYS 65 Ca 0.21 0.95 -0.31 0.00 -0.87 0.00 0.00 58.31 58.29 3msp n LYS 65 Cb 0.44 -5.46 -0.05 0.00 0.02 0.00 0.00 35.03 29.98 3msp n LYS 65 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3msp s GLU 66 N -4.75 3.30 0.18 1.64 2.12 -0.96 -4.84 118.70 115.39 3msp s GLU 66 Ca 0.00 -0.50 0.07 0.00 0.36 0.00 0.00 54.97 54.90 3msp s GLU 66 Cb 0.00 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 3msp s GLU 66 CO 0.00 0.60 -0.01 0.15 -0.54 0.00 0.00 175.26 175.46 3msp s LYS 67 N -2.49 2.37 -0.10 4.30 1.02 -1.26 -2.28 119.74 121.30 3msp s LYS 67 Ca 0.34 -1.13 -0.13 0.00 0.02 0.00 0.00 55.97 55.06 3msp s LYS 67 Cb -0.13 -2.33 0.03 0.00 -0.52 0.00 0.00 37.83 34.88 3msp s LYS 67 CO 0.27 0.45 0.35 0.54 -0.92 0.00 0.00 175.35 176.03 3msp s VAL 68 N -1.75 0.02 -0.09 3.17 0.11 -0.43 -5.00 120.40 116.42 3msp s VAL 68 Ca 0.27 -0.13 -0.13 0.00 -2.93 0.00 0.00 61.98 59.06 3msp s VAL 68 Cb -0.09 -0.54 -0.05 0.00 -1.53 0.00 0.00 36.38 34.17 3msp s VAL 68 CO 0.18 -0.07 0.31 -0.76 -3.33 0.00 0.00 175.10 171.43 3msp s LEU 69 N -0.25 4.37 0.26 2.54 1.43 -1.26 -2.55 118.68 123.22 3msp s LEU 69 Ca -0.04 0.69 0.12 0.00 -1.03 0.00 0.00 54.13 53.87 3msp s LEU 69 Cb -0.03 -2.41 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 3msp s LEU 69 CO 0.02 0.25 -0.20 -0.32 0.23 0.00 0.00 176.35 176.32 3msp s MET 70 N -0.45 1.63 -0.09 1.70 1.75 -0.70 -4.64 119.30 118.50 3msp s MET 70 Ca 0.19 -1.72 0.01 0.00 -1.25 0.00 0.00 55.69 52.92 3msp s MET 70 Cb -0.14 -1.73 0.02 0.00 2.84 0.00 0.00 34.83 35.81 3msp s MET 70 CO 0.08 0.33 -0.09 0.00 -0.65 0.00 0.00 175.02 174.69 3msp s ALA 71 N -2.41 1.23 -0.41 4.11 0.00 -0.54 -1.91 121.76 121.83 3msp s ALA 71 Ca 0.28 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.82 3msp s ALA 71 Cb -0.05 -0.73 0.12 0.00 0.00 0.00 0.00 23.12 22.46 3msp s ALA 71 CO 0.14 -0.17 0.18 0.08 0.00 0.00 0.00 175.76 175.98 3msp s VAL 72 N 1.24 1.70 0.39 0.00 1.01 -0.71 -1.60 120.40 122.42 3msp s VAL 72 Ca -0.04 -2.44 -0.11 0.00 0.00 0.00 0.00 61.98 59.39 3msp s VAL 72 Cb -0.14 -2.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.96 3msp s VAL 72 CO -0.03 -0.78 0.76 -0.94 0.00 0.00 0.00 175.10 174.11 3msp s SER 73 N 0.58 6.55 -0.22 3.32 1.04 -0.81 -2.23 113.70 121.93 3msp s SER 73 Ca 0.15 1.14 -0.02 0.00 0.48 0.00 0.00 55.95 57.69 3msp s SER 73 Cb -0.22 -2.32 0.07 0.00 0.10 0.00 0.00 66.02 63.64 3msp s SER 73 CO -0.06 -0.37 0.03 0.00 0.98 0.00 0.00 173.24 173.82 3msp n ASP 75 N 4.98 1.05 -4.77 0.00 8.00 -1.17 -4.07 116.55 120.56 3msp n ASP 75 Ca -0.08 0.96 -0.40 0.00 0.71 0.00 0.00 54.79 55.98 3msp n ASP 75 Cb 0.46 -1.36 0.01 0.00 -0.02 0.00 0.00 41.12 40.21 3msp n ASP 75 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3msp s THR 76 N -1.36 2.11 0.00 -3.53 -4.23 -1.26 -5.01 115.64 102.36 3msp s THR 76 Ca 0.66 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 3msp s THR 76 Cb -0.51 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.27 3msp s THR 76 CO 0.54 0.02 0.00 2.22 -0.54 0.00 0.00 174.62 176.86 3msp n PHE 77 N 0.02 -0.25 -3.97 3.99 -1.74 -0.84 -5.01 117.46 109.66 3msp n PHE 77 Ca 0.04 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.59 3msp n PHE 77 Cb 0.41 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.27 3msp n PHE 77 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 3msp s ASN 78 N -0.98 4.55 -0.22 5.98 0.01 -1.26 -4.60 114.94 118.42 3msp s ASN 78 Ca 0.00 -1.17 0.12 0.00 -0.71 0.00 0.00 52.86 51.09 3msp s ASN 78 Cb 0.00 -1.65 0.72 0.00 0.41 0.00 0.00 41.25 40.73 3msp s ASN 78 CO 0.00 -0.20 1.60 0.00 -1.51 0.00 0.00 177.10 177.00 3msp n ALA 79 N 4.58 3.78 -0.05 0.60 0.00 -1.26 -3.98 120.51 124.18 3msp n ALA 79 Ca -0.15 -1.71 -0.07 0.00 0.00 0.00 0.00 53.44 51.51 3msp n ALA 79 Cb 0.44 -1.12 -0.14 0.00 0.00 0.00 0.00 19.45 18.62 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 0.49 1.63 -2.72 0.00 0.00 -1.26 -4.59 120.51 114.07 3msp n ALA 80 Ca 0.25 -0.99 -0.06 0.00 0.00 0.00 0.00 53.44 52.65 3msp n ALA 80 Cb 1.10 -0.55 0.05 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.84 0.97 -3.80 0.00 -2.24 -1.26 -5.09 114.28 100.02 3msp n THR 81 Ca -0.23 -2.82 -0.12 0.00 -2.27 0.00 0.00 64.05 58.60 3msp n THR 81 Cb 1.05 0.90 -0.10 0.00 -2.10 0.00 0.00 70.33 70.07 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 -2.98 0.42 0.54 -0.78 0.41 -1.26 -5.10 118.70 109.96 3msp s GLU 82 Ca 0.26 0.07 -0.19 0.00 -0.41 0.00 0.00 54.97 54.70 3msp s GLU 82 Cb 0.41 0.19 -0.06 0.00 -1.78 0.00 0.00 34.13 32.89 3msp s GLU 82 CO -0.00 -0.09 1.09 -0.51 -0.49 0.00 0.00 175.26 175.26 3msp s ASP 83 N -0.53 5.90 -0.47 -0.19 1.11 -1.26 -4.88 116.67 116.35 3msp s ASP 83 Ca -0.06 2.05 0.08 0.00 0.18 0.00 0.00 52.55 54.79 3msp s ASP 83 Cb -0.04 -2.57 0.28 0.00 1.07 0.00 0.00 42.92 41.66 3msp s ASP 83 CO 0.01 -1.09 0.66 0.18 1.18 0.00 0.00 175.17 176.12 3msp n LEU 84 N -1.33 1.65 -1.38 1.23 4.77 -1.26 -4.82 117.00 115.86 3msp n LEU 84 Ca 0.10 -5.05 -0.05 0.00 -0.03 0.00 0.00 56.01 50.99 3msp n LEU 84 Cb 0.52 0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.79 3msp n LEU 84 CO 0.42 2.14 0.36 0.59 -1.33 0.00 0.00 177.39 179.57 3msp n ASN 85 N 0.87 -0.81 0.00 -1.43 4.13 -1.26 -4.91 115.26 111.84 3msp n ASN 85 Ca 0.25 -2.04 0.00 0.00 1.68 0.00 0.00 54.58 54.47 3msp n ASN 85 Cb 0.51 0.29 0.00 0.00 -1.54 0.00 0.00 39.78 39.04 3msp n ASN 85 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3msp n ASN 86 N -0.23 0.59 -4.47 6.41 3.02 -1.26 -5.03 115.26 114.30 3msp n ASN 86 Ca -0.22 -1.23 -0.38 0.00 -0.03 0.00 0.00 54.58 52.72 3msp n ASN 86 Cb 0.78 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.83 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 -0.23 5.55 -0.13 6.41 1.11 -1.26 -4.68 116.67 123.43 3msp s ASP 87 Ca 0.00 -0.38 -0.09 0.00 0.18 0.00 0.00 52.55 52.26 3msp s ASP 87 Cb 0.00 -2.01 0.04 0.00 1.07 0.00 0.00 42.92 42.03 3msp s ASP 87 CO 0.00 -0.14 0.33 0.00 1.18 0.00 0.00 175.17 176.54 3msp s ARG 88 N 1.64 0.33 0.51 8.23 1.70 -1.26 -1.91 118.95 128.19 3msp s ARG 88 Ca 0.05 0.57 -0.05 0.00 -0.47 0.00 0.00 55.73 55.83 3msp s ARG 88 Cb -0.16 0.03 -0.03 0.00 -0.57 0.00 0.00 34.95 34.22 3msp s ARG 88 CO 0.07 -0.11 0.82 0.42 -1.08 0.00 0.00 175.30 175.41 3msp s ILE 89 N 0.85 4.60 -0.22 4.99 1.01 -1.04 -2.87 121.20 128.52 3msp s ILE 89 Ca -0.05 0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.72 3msp s ILE 89 Cb -0.06 -3.76 0.11 0.00 0.01 0.00 0.00 42.46 38.75 3msp s ILE 89 CO -0.06 -0.76 0.30 -0.89 0.00 0.00 0.00 174.94 173.52 3msp s THR 90 N -2.81 -0.46 -0.37 2.92 2.01 0.12 -1.61 115.64 115.44 3msp s THR 90 Ca 0.49 -0.06 -0.12 0.00 0.31 0.00 0.00 61.69 62.30 3msp s THR 90 Cb -0.10 -0.72 0.01 0.00 0.01 0.00 0.00 72.50 71.70 3msp s THR 90 CO 0.45 -0.14 0.24 -0.63 -0.69 0.00 0.00 174.62 173.84 3msp s ILE 91 N 2.43 4.95 -0.12 1.82 1.09 -0.89 -1.64 121.20 128.85 3msp s ILE 91 Ca 0.09 -0.60 0.00 0.00 -1.10 0.00 0.00 60.65 59.04 3msp s ILE 91 Cb -0.15 -3.68 -0.02 0.00 -1.06 0.00 0.00 42.46 37.55 3msp s ILE 91 CO -0.13 -0.17 -0.13 -1.61 -0.10 0.00 0.00 174.94 172.80 3msp s GLU 92 N 1.64 3.27 0.02 2.79 2.02 -1.05 -1.84 118.70 125.53 3msp s GLU 92 Ca 0.04 -0.67 -0.03 0.00 0.02 0.00 0.00 54.97 54.33 3msp s GLU 92 Cb -0.18 -2.61 -0.01 0.00 0.10 0.00 0.00 34.13 31.42 3msp s GLU 92 CO 0.08 0.28 0.03 1.67 0.02 0.00 0.00 175.26 177.35 3msp s TRP 93 N 0.17 0.20 0.04 1.61 -2.14 -0.90 -1.47 118.94 116.45 3msp s TRP 93 Ca -0.07 -0.42 -0.20 0.00 2.66 0.00 0.00 56.10 58.08 3msp s TRP 93 Cb -0.15 -0.15 0.04 0.00 -3.10 0.00 0.00 33.47 30.11 3msp s TRP 93 CO 0.05 -0.23 0.45 -0.08 -2.66 0.00 0.00 176.95 174.48 3msp s THR 94 N -1.56 0.05 0.72 0.66 -1.32 -0.96 -2.45 115.64 110.79 3msp s THR 94 Ca -0.15 -0.38 -0.16 0.00 -1.21 0.00 0.00 61.69 59.80 3msp s THR 94 Cb -0.08 -0.96 -0.02 0.00 -1.51 0.00 0.00 72.50 69.93 3msp s THR 94 CO -0.01 -0.21 0.72 -0.46 -2.21 0.00 0.00 174.62 172.46 3msp n ASN 95 N 0.48 -0.46 -4.74 8.08 0.23 -1.26 -1.41 115.26 116.18 3msp n ASN 95 Ca -0.18 0.62 -0.35 0.00 -0.53 0.00 0.00 54.58 54.14 3msp n ASN 95 Cb 0.60 -1.30 -0.08 0.00 -2.08 0.00 0.00 39.78 36.92 3msp n ASN 95 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3msp s THR 96 N -1.88 5.20 0.88 5.53 -4.23 -1.03 -4.70 115.64 115.41 3msp s THR 96 Ca 0.69 0.11 -0.13 0.00 -1.18 0.00 0.00 61.69 61.18 3msp s THR 96 Cb -0.35 -3.33 0.05 0.00 1.34 0.00 0.00 72.50 70.22 3msp s THR 96 CO 0.55 0.50 0.71 -2.65 -0.54 0.00 0.00 174.62 173.19 3msp n PRO 97 N 3.06 -0.14 -1.67 3.99 -0.02 -1.26 -4.77 135.00 134.19 3msp n PRO 97 Ca -0.17 0.02 -0.50 0.00 -2.02 0.00 0.00 63.50 60.82 3msp n PRO 97 Cb 0.53 -2.06 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 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 -2.07 2.88 -1.41 2.55 8.00 -1.26 -0.78 116.55 124.46 3msp n ASP 98 Ca 0.10 1.04 -0.11 0.00 0.71 0.00 0.00 54.79 56.53 3msp n ASP 98 Cb 0.52 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 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 3.82 -0.01 0.27 0.44 0.00 -1.26 -4.89 105.19 103.56 3msp n GLY 99 Ca 0.21 -0.39 0.18 0.00 0.00 0.00 0.00 46.02 46.03 3msp n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3msp h ALA 100 N 0.51 1.00 -1.23 4.61 0.00 -1.26 -3.48 119.26 119.41 3msp h ALA 100 Ca -0.26 0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.78 3msp h ALA 100 Cb 1.19 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 3msp h ALA 100 CO 0.30 0.00 -0.38 0.00 0.00 0.00 0.00 179.25 179.17 3msp n ALA 101 N -1.98 -1.36 -2.27 0.00 0.00 -1.26 -4.49 120.51 109.14 3msp n ALA 101 Ca -0.02 0.29 -0.43 0.00 0.00 0.00 0.00 53.44 53.28 3msp n ALA 101 Cb 0.10 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3msp n ALA 101 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3msp n LYS 102 N -3.03 3.43 -3.63 0.00 3.00 -1.26 -4.82 118.16 111.85 3msp n LYS 102 Ca -0.02 -3.36 -0.00 0.00 -0.00 0.00 0.00 58.31 54.93 3msp n LYS 102 Cb 0.24 -3.03 -0.06 0.00 0.00 0.00 0.00 35.03 32.18 3msp n LYS 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 3msp s GLN 103 N 1.18 0.24 0.64 1.64 0.74 -1.26 -5.10 119.66 117.73 3msp s GLN 103 Ca 0.42 0.42 -0.18 0.00 0.05 0.00 0.00 55.36 56.07 3msp s GLN 103 Cb 0.09 0.06 -0.03 0.00 1.10 0.00 0.00 33.01 34.24 3msp s GLN 103 CO -0.01 -0.05 1.08 0.34 -0.55 0.00 0.00 175.29 176.09 3msp n PHE 104 N 3.53 1.17 -4.00 1.67 7.35 -1.26 -5.02 117.46 120.90 3msp n PHE 104 Ca -0.17 0.42 -0.08 0.00 -0.76 0.00 0.00 57.45 56.85 3msp n PHE 104 Cb 0.57 -2.17 -0.10 0.00 0.35 0.00 0.00 39.48 38.13 3msp n PHE 104 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 3msp s ARG 105 N -3.06 0.52 -0.19 -4.13 3.52 -1.26 -5.04 118.95 109.32 3msp s ARG 105 Ca 0.78 -0.87 0.08 0.00 -0.13 0.00 0.00 55.73 55.59 3msp s ARG 105 Cb -0.39 0.19 0.52 0.00 -1.56 0.00 0.00 34.95 33.70 3msp s ARG 105 CO 0.45 -0.11 1.39 -2.13 -0.81 0.00 0.00 175.30 174.09 3msp n ARG 106 N 0.78 3.17 0.00 5.12 0.63 -1.26 -3.88 116.66 121.21 3msp n ARG 106 Ca -0.19 -2.05 0.07 0.00 -0.92 0.00 0.00 57.85 54.76 3msp n ARG 106 Cb 0.58 -1.95 -0.02 0.00 0.45 0.00 0.00 32.46 31.52 3msp n ARG 106 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3msp n GLU 107 N 0.18 2.03 -0.50 -0.14 1.02 -1.26 -4.40 120.64 117.57 3msp n GLU 107 Ca 0.23 -0.52 0.04 0.00 -0.02 0.00 0.00 57.16 56.89 3msp n GLU 107 Cb 0.97 -1.19 0.23 0.00 -0.02 0.00 0.00 31.44 31.42 3msp n GLU 107 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3msp n TRP 108 N -0.51 1.15 -2.05 -0.32 8.01 -1.25 -3.77 117.44 118.70 3msp n TRP 108 Ca 0.05 -0.40 0.00 0.00 -1.31 0.00 0.00 57.50 55.84 3msp n TRP 108 Cb 0.27 -0.32 -0.00 0.00 -2.01 0.00 0.00 31.31 29.25 3msp n TRP 108 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 3msp n PHE 109 N 0.36 0.00 -1.21 -5.99 3.01 -1.26 -4.81 117.46 107.57 3msp n PHE 109 Ca 0.16 -0.06 -0.09 0.00 1.01 0.00 0.00 57.45 58.46 3msp n PHE 109 Cb 0.77 0.02 0.24 0.00 -0.01 0.00 0.00 39.48 40.49 3msp n PHE 109 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3msp n GLN 110 N 0.05 2.69 -0.48 -1.08 10.64 -1.25 -4.89 117.38 123.06 3msp n GLN 110 Ca -0.00 -3.07 0.00 0.00 -1.83 0.00 0.00 57.00 52.10 3msp n GLN 110 Cb 0.70 -2.05 0.00 0.00 -0.86 0.00 0.00 30.24 28.03 3msp n GLN 110 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3msp n GLY 111 N -0.75 0.56 3.05 2.61 0.00 -1.26 -5.10 105.19 104.28 3msp n GLY 111 Ca 0.42 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.07 3.01 0.46 1.61 1.01 -1.26 -5.01 116.67 114.43 3msp s ASP 112 Ca 0.00 -0.64 0.00 0.00 0.71 0.00 0.00 52.55 52.62 3msp s ASP 112 Cb 0.00 -1.29 0.00 0.00 1.01 0.00 0.00 42.92 42.64 3msp s ASP 112 CO 0.00 -0.06 0.00 0.61 0.21 0.00 0.00 175.17 175.93 3msp n GLY 113 N 4.70 0.45 3.15 0.21 0.00 -1.26 -4.16 105.19 108.28 3msp n GLY 113 Ca -0.18 0.71 0.05 0.00 0.00 0.00 0.00 46.02 46.60 3msp n GLY 113 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3msp s MET 114 N 0.00 0.34 0.25 1.61 0.23 -1.26 -5.02 119.30 115.45 3msp s MET 114 Ca 0.00 0.60 -0.24 0.00 -1.03 0.00 0.00 55.69 55.01 3msp s MET 114 Cb 0.00 0.33 -0.09 0.00 -1.53 0.00 0.00 34.83 33.54 3msp s MET 114 CO 0.00 -0.37 0.84 0.08 -2.03 0.00 0.00 175.02 173.54 3msp s VAL 115 N 2.92 4.34 -0.15 5.16 1.01 -1.26 -4.45 120.40 127.97 3msp s VAL 115 Ca 0.07 1.65 0.01 0.00 0.00 0.00 0.00 61.98 63.72 3msp s VAL 115 Cb -0.12 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3msp s VAL 115 CO -0.15 0.27 -0.17 -0.60 0.00 0.00 0.00 175.10 174.45 3msp s ARG 116 N -1.77 3.16 0.07 2.72 3.00 -1.02 -4.98 118.95 120.13 3msp s ARG 116 Ca 0.44 -0.78 0.02 0.00 -1.00 0.00 0.00 55.73 54.41 3msp s ARG 116 Cb -0.20 -2.57 -0.03 0.00 0.00 0.00 0.00 34.95 32.15 3msp s ARG 116 CO 0.24 0.01 -0.08 -0.98 0.00 0.00 0.00 175.30 174.49 3msp s ARG 117 N 0.81 0.67 -0.03 5.12 3.03 -1.26 -2.12 118.95 125.16 3msp s ARG 117 Ca -0.06 -0.99 0.03 0.00 2.03 0.00 0.00 55.73 56.74 3msp s ARG 117 Cb -0.15 -0.30 0.00 0.00 -1.03 0.00 0.00 34.95 33.47 3msp s ARG 117 CO -0.01 0.04 -0.11 -1.59 -1.13 0.00 0.00 175.30 172.50 3msp s LYS 118 N -2.43 1.22 -0.17 3.89 -2.85 -0.77 -4.95 119.74 113.68 3msp s LYS 118 Ca -0.01 -0.40 -0.14 0.00 -1.00 0.00 0.00 55.97 54.42 3msp s LYS 118 Cb -0.04 -1.10 -0.05 0.00 -2.06 0.00 0.00 37.83 34.58 3msp s LYS 118 CO -0.01 0.15 0.30 -0.80 0.10 0.00 0.00 175.35 175.08 3msp s ASN 119 N 0.16 6.42 -0.46 0.03 0.01 -1.26 -2.09 114.94 117.76 3msp s ASN 119 Ca -0.04 0.49 -0.04 0.00 -0.71 0.00 0.00 52.86 52.56 3msp s ASN 119 Cb -0.10 -2.18 0.12 0.00 0.41 0.00 0.00 41.25 39.50 3msp s ASN 119 CO 0.01 0.08 0.27 -0.76 -1.51 0.00 0.00 177.10 175.20 3msp s LEU 120 N 0.56 5.38 0.58 0.60 1.43 -0.64 -4.95 118.68 121.65 3msp s LEU 120 Ca 0.16 -2.12 -0.18 0.00 -1.03 0.00 0.00 54.13 50.97 3msp s LEU 120 Cb -0.13 -1.88 -0.08 0.00 0.03 0.00 0.00 46.19 44.13 3msp s LEU 120 CO 0.04 -0.56 0.58 -2.65 0.23 0.00 0.00 176.35 173.99 3msp n PRO 121 N 4.52 0.54 -3.94 1.29 -0.02 -1.26 -2.48 135.00 133.65 3msp n PRO 121 Ca -0.02 0.21 -0.31 0.00 -2.02 0.00 0.00 63.50 61.36 3msp n PRO 121 Cb 0.41 -1.76 -0.04 0.00 -0.02 0.00 0.00 33.50 32.08 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 -1.70 5.26 0.11 4.25 -1.09 -0.80 -1.98 121.20 125.24 3msp s ILE 122 Ca 0.70 -0.44 0.04 0.00 -2.23 0.00 0.00 60.65 58.71 3msp s ILE 122 Cb -0.44 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 3msp s ILE 122 CO 0.53 0.15 -0.09 -1.61 -1.23 0.00 0.00 174.94 172.68 3msp s GLU 123 N -2.47 0.88 -0.28 2.79 2.02 0.21 -4.93 118.70 116.92 3msp s GLU 123 Ca 0.34 -1.24 0.02 0.00 0.02 0.00 0.00 54.97 54.11 3msp s GLU 123 Cb -0.13 -0.50 0.08 0.00 0.10 0.00 0.00 34.13 33.69 3msp s GLU 123 CO 0.27 0.06 -0.01 0.71 0.02 0.00 0.00 175.26 176.31 3msp s TYR 124 N -2.79 2.89 -1.19 1.61 1.51 -1.26 -0.39 117.35 117.72 3msp s TYR 124 Ca 0.08 -2.26 -0.15 0.00 -1.01 0.00 0.00 57.07 53.73 3msp s TYR 124 Cb -0.01 -2.10 0.14 0.00 -0.11 0.00 0.00 41.96 39.89 3msp s TYR 124 CO -0.01 -0.87 1.46 1.21 -1.11 0.00 0.00 175.55 176.24 3msp s ASN 125 N 1.22 6.97 0.00 2.29 2.47 -1.00 -5.00 114.94 121.89 3msp s ASN 125 Ca 0.01 -2.75 0.22 0.00 0.42 0.00 0.00 52.86 50.76 3msp s ASN 125 Cb -0.19 -2.44 1.29 0.00 -1.45 0.00 0.00 41.25 38.46 3msp s ASN 125 CO -0.09 -0.88 1.67 0.18 -3.72 0.00 0.00 177.10 174.26