#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 3.69 0.32 0.00 -0.21 -1.26 -5.00 119.66 117.20 3msp s GLN 2 Ca 0.00 -2.56 -0.04 0.00 0.02 0.00 0.00 55.36 52.78 3msp s GLN 2 Cb 0.00 -4.45 -0.00 0.00 1.00 0.00 0.00 33.01 29.56 3msp s GLN 2 CO 0.00 -1.29 0.46 0.45 -2.12 0.00 0.00 175.29 172.79 3msp s SER 3 N 2.06 0.66 0.63 5.90 0.15 -1.26 -5.03 113.70 116.82 3msp s SER 3 Ca 0.20 -1.37 -0.13 0.00 0.70 0.00 0.00 55.95 55.35 3msp s SER 3 Cb -0.10 0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 64.82 3msp s SER 3 CO -0.09 -1.24 1.04 0.68 1.20 0.00 0.00 173.24 174.83 3msp s VAL 4 N -3.29 4.19 0.70 4.45 -7.23 -1.26 -5.00 120.40 112.96 3msp s VAL 4 Ca 0.29 0.84 -0.16 0.00 -1.81 0.00 0.00 61.98 61.14 3msp s VAL 4 Cb -0.00 -3.54 -0.05 0.00 0.56 0.00 0.00 36.38 33.35 3msp s VAL 4 CO 0.17 -0.80 0.47 -2.65 -0.31 0.00 0.00 175.10 171.98 3msp n PRO 5 N -2.53 0.30 -1.35 4.82 -0.02 -1.26 -4.85 135.00 130.11 3msp n PRO 5 Ca 0.07 0.14 -0.31 0.00 -2.02 0.00 0.00 63.50 61.38 3msp n PRO 5 Cb 0.54 -1.76 0.08 0.00 -0.02 0.00 0.00 33.50 32.33 3msp n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3msp s PRO 6 N -2.60 2.44 0.00 0.52 0.04 -1.26 -4.94 135.00 129.20 3msp s PRO 6 Ca 0.65 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.81 3msp s PRO 6 Cb -0.36 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3msp s PRO 6 CO 0.58 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 176.53 3msp n GLY 7 N -1.38 0.97 3.17 0.56 0.00 -1.26 -4.97 105.19 102.28 3msp n GLY 7 Ca 0.09 -1.47 -0.26 0.00 0.00 0.00 0.00 46.02 44.38 3msp n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3msp s ASP 8 N -1.00 2.25 0.10 1.61 -1.08 -1.26 -4.95 116.67 112.34 3msp s ASP 8 Ca 0.00 -0.36 0.07 0.00 -0.52 0.00 0.00 52.55 51.74 3msp s ASP 8 Cb 0.00 -0.43 -0.04 0.00 -1.46 0.00 0.00 42.92 40.99 3msp s ASP 8 CO 0.00 0.20 -0.11 0.27 0.52 0.00 0.00 175.17 176.05 3msp s ILE 9 N -0.22 3.32 0.13 4.11 -4.36 -1.26 -1.42 121.20 121.50 3msp s ILE 9 Ca 0.02 -1.28 0.03 0.00 -0.26 0.00 0.00 60.65 59.16 3msp s ILE 9 Cb -0.09 -2.55 -0.04 0.00 1.25 0.00 0.00 42.46 41.03 3msp s ILE 9 CO 0.01 0.12 0.18 0.21 0.24 0.00 0.00 174.94 175.69 3msp s ASN 10 N -2.18 5.85 0.02 4.36 3.84 -0.71 -4.92 114.94 121.20 3msp s ASN 10 Ca 0.21 0.02 -0.07 0.00 0.21 0.00 0.00 52.86 53.23 3msp s ASN 10 Cb -0.11 -1.64 -0.00 0.00 -0.55 0.00 0.00 41.25 38.95 3msp s ASN 10 CO 0.13 0.09 0.14 0.42 -2.79 0.00 0.00 177.10 175.10 3msp s THR 11 N -1.65 0.10 -0.10 -5.21 -4.23 -1.26 -0.93 115.64 102.36 3msp s THR 11 Ca 0.32 -0.85 -0.03 0.00 -1.18 0.00 0.00 61.69 59.96 3msp s THR 11 Cb -0.11 -0.68 0.04 0.00 1.34 0.00 0.00 72.50 73.09 3msp s THR 11 CO 0.25 -0.47 0.04 -1.10 -0.54 0.00 0.00 174.62 172.81 3msp s GLN 12 N -2.01 0.29 0.70 3.99 -1.52 -0.97 -2.37 119.66 117.77 3msp s GLN 12 Ca -0.10 0.08 -0.15 0.00 -1.95 0.00 0.00 55.36 53.24 3msp s GLN 12 Cb -0.04 -1.17 0.02 0.00 -0.22 0.00 0.00 33.01 31.60 3msp s GLN 12 CO -0.01 -0.44 1.17 -1.25 -0.25 0.00 0.00 175.29 174.51 3msp s PRO 13 N 2.05 2.39 0.00 2.91 0.04 -1.26 -2.48 135.00 138.65 3msp s PRO 13 Ca 0.03 1.64 0.17 0.00 0.04 0.00 0.00 61.00 62.88 3msp s PRO 13 Cb -0.14 -1.88 0.48 0.00 0.04 0.00 0.00 34.50 33.01 3msp s PRO 13 CO -0.06 -1.62 1.40 0.45 0.04 0.00 0.00 177.00 177.21 3msp n SER 14 N -2.57 2.72 0.08 6.66 2.88 -1.00 -4.52 113.62 117.87 3msp n SER 14 Ca 0.12 -1.97 0.00 0.00 -1.33 0.00 0.00 58.87 55.69 3msp n SER 14 Cb 0.51 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 3msp n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3msp n GLN 15 N 0.99 0.00 -3.78 -1.46 0.00 -1.26 -5.00 117.38 106.87 3msp n GLN 15 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 57.00 57.15 3msp n GLN 15 Cb 0.44 -0.32 -0.00 0.00 0.00 0.00 0.00 30.24 30.36 3msp n GLN 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 3msp s LYS 16 N -2.00 1.04 0.20 2.61 -2.85 -1.26 -3.97 119.74 113.51 3msp s LYS 16 Ca 0.00 -0.62 0.11 0.00 -1.00 0.00 0.00 55.97 54.46 3msp s LYS 16 Cb 0.00 0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 36.05 3msp s LYS 16 CO 0.00 -0.48 -0.22 -1.50 0.10 0.00 0.00 175.35 173.25 3msp s ILE 17 N -2.69 2.21 -0.65 3.79 2.07 -1.05 -4.64 121.20 120.25 3msp s ILE 17 Ca 0.17 -2.05 0.03 0.00 -1.41 0.00 0.00 60.65 57.39 3msp s ILE 17 Cb -0.01 -2.06 0.16 0.00 0.13 0.00 0.00 42.46 40.68 3msp s ILE 17 CO 0.02 -0.21 0.43 -0.69 -1.91 0.00 0.00 174.94 172.58 3msp s VAL 18 N -1.89 3.03 -0.64 4.00 1.01 -1.26 -0.37 120.40 124.28 3msp s VAL 18 Ca 0.20 -3.74 -0.31 0.00 0.00 0.00 0.00 61.98 58.14 3msp s VAL 18 Cb -0.07 -3.01 -0.14 0.00 0.00 0.00 0.00 36.38 33.16 3msp s VAL 18 CO 0.09 -0.92 2.46 0.49 0.00 0.00 0.00 175.10 177.22 3msp n PHE 19 N 2.60 1.14 -2.40 5.22 3.01 0.76 -4.54 117.46 123.24 3msp n PHE 19 Ca 0.13 0.28 -0.41 0.00 1.01 0.00 0.00 57.45 58.46 3msp n PHE 19 Cb 0.34 -2.51 -0.04 0.00 -0.01 0.00 0.00 39.48 37.27 3msp n PHE 19 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3msp s ASN 20 N 9.64 7.13 1.15 4.37 0.01 -1.26 -2.09 114.94 133.89 3msp s ASN 20 Ca 1.16 2.21 -0.17 0.00 -0.71 0.00 0.00 52.86 55.35 3msp s ASN 20 Cb -0.79 -2.61 0.16 0.00 0.41 0.00 0.00 41.25 38.43 3msp s ASN 20 CO 0.41 -0.33 0.27 0.00 -1.51 0.00 0.00 177.10 175.94 3msp n ALA 21 N 2.37 -3.88 -1.80 0.60 0.00 -0.98 -4.83 120.51 111.99 3msp n ALA 21 Ca 0.04 -1.30 -0.29 0.00 0.00 0.00 0.00 53.44 51.88 3msp n ALA 21 Cb 0.45 -1.62 0.09 0.00 0.00 0.00 0.00 19.45 18.37 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 -3.70 1.99 -0.29 0.00 0.04 -1.26 -5.05 135.00 126.72 3msp s PRO 22 Ca 0.59 0.26 0.09 0.00 0.04 0.00 0.00 61.00 61.97 3msp s PRO 22 Cb -0.15 -1.94 0.51 0.00 0.04 0.00 0.00 34.50 32.96 3msp s PRO 22 CO 0.65 -1.61 1.46 0.66 0.04 0.00 0.00 177.00 178.21 3msp n TYR 23 N -3.35 1.08 0.02 0.56 4.01 -1.26 -4.44 117.16 113.76 3msp n TYR 23 Ca 0.07 -1.62 0.02 0.00 -0.16 0.00 0.00 57.90 56.21 3msp n TYR 23 Cb 0.59 -0.49 0.04 0.00 -0.31 0.00 0.00 39.34 39.17 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 -1.13 1.94 -4.04 7.72 2.03 -1.26 -2.14 116.55 119.67 3msp n ASP 24 Ca 0.33 -1.70 -0.08 0.00 0.52 0.00 0.00 54.79 53.87 3msp n ASP 24 Cb 1.04 -0.05 -0.10 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 -0.75 0.39 -0.33 1.67 2.15 -1.26 -4.85 116.67 113.69 3msp s ASP 25 Ca 0.06 -0.85 -0.29 0.00 0.43 0.00 0.00 52.55 51.91 3msp s ASP 25 Cb 0.04 0.20 0.01 0.00 -0.30 0.00 0.00 42.92 42.86 3msp s ASP 25 CO 0.05 -0.55 1.29 -0.54 -0.17 0.00 0.00 175.17 175.24 3msp s LYS 26 N -3.38 3.86 0.11 4.34 1.02 -1.26 -4.50 119.74 119.94 3msp s LYS 26 Ca 0.02 1.13 0.09 0.00 0.02 0.00 0.00 55.97 57.23 3msp s LYS 26 Cb 0.04 -3.89 -0.04 0.00 -0.52 0.00 0.00 37.83 33.42 3msp s LYS 26 CO -0.08 -1.19 -0.17 -1.01 -0.92 0.00 0.00 175.35 171.99 3msp s HIS 27 N 4.47 2.57 -0.15 3.18 3.76 -1.25 -4.93 115.29 122.94 3msp s HIS 27 Ca 0.55 -0.24 -0.00 0.00 -0.15 0.00 0.00 55.06 55.22 3msp s HIS 27 Cb -0.15 -1.36 -0.01 0.00 1.11 0.00 0.00 32.58 32.17 3msp s HIS 27 CO 0.24 0.39 -0.13 0.99 -0.85 0.00 0.00 174.74 175.38 3msp s THR 28 N -1.15 2.89 -0.17 1.30 2.01 -1.26 -1.84 115.64 117.42 3msp s THR 28 Ca 0.18 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 3msp s THR 28 Cb -0.11 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 3msp s THR 28 CO 0.11 0.51 0.00 -0.31 -0.69 0.00 0.00 174.62 174.24 3msp s TYR 29 N 0.67 3.10 -0.35 4.92 1.51 -0.90 -4.87 117.35 121.44 3msp s TYR 29 Ca -0.07 -0.21 -0.20 0.00 -1.01 0.00 0.00 57.07 55.58 3msp s TYR 29 Cb -0.15 -2.03 -0.00 0.00 -0.11 0.00 0.00 41.96 39.67 3msp s TYR 29 CO 0.02 -0.02 0.62 -1.01 -1.11 0.00 0.00 175.55 174.05 3msp s HIS 30 N 0.52 3.16 -0.05 2.71 3.76 -1.26 -1.45 115.29 122.68 3msp s HIS 30 Ca -0.01 0.38 -0.02 0.00 -0.15 0.00 0.00 55.06 55.26 3msp s HIS 30 Cb -0.14 -3.09 -0.04 0.00 1.11 0.00 0.00 32.58 30.42 3msp s HIS 30 CO 0.02 -0.59 0.08 0.42 -0.85 0.00 0.00 174.74 173.81 3msp s ILE 31 N 2.67 4.79 -0.10 0.60 -1.09 -0.77 -4.91 121.20 122.39 3msp s ILE 31 Ca 0.24 -0.24 -0.06 0.00 -2.23 0.00 0.00 60.65 58.36 3msp s ILE 31 Cb -0.15 -3.13 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 3msp s ILE 31 CO 0.14 0.47 0.13 -0.75 -1.23 0.00 0.00 174.94 173.70 3msp s LYS 32 N -1.39 3.39 0.07 2.79 2.20 -1.03 -1.47 119.74 124.29 3msp s LYS 32 Ca 0.19 -0.19 0.03 0.00 -0.36 0.00 0.00 55.97 55.64 3msp s LYS 32 Cb -0.12 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 3msp s LYS 32 CO 0.09 0.76 -0.09 0.42 -0.36 0.00 0.00 175.35 176.17 3msp s ILE 33 N -1.06 0.74 0.10 5.43 1.01 -0.93 -2.28 121.20 124.21 3msp s ILE 33 Ca 0.17 -1.39 -0.15 0.00 0.00 0.00 0.00 60.65 59.27 3msp s ILE 33 Cb -0.12 -1.03 0.03 0.00 0.01 0.00 0.00 42.46 41.35 3msp s ILE 33 CO 0.06 -0.48 0.37 -0.89 0.00 0.00 0.00 174.94 174.00 3msp s THR 34 N -1.99 0.08 -0.34 2.92 2.01 -0.11 -2.02 115.64 116.19 3msp s THR 34 Ca -0.02 -0.63 -0.03 0.00 0.31 0.00 0.00 61.69 61.32 3msp s THR 34 Cb -0.06 -1.14 0.06 0.00 0.01 0.00 0.00 72.50 71.38 3msp s THR 34 CO -0.00 -0.35 0.08 0.21 -0.69 0.00 0.00 174.62 173.87 3msp s ASN 35 N -2.63 5.11 0.00 3.53 2.47 -0.91 -1.74 114.94 120.77 3msp s ASN 35 Ca 0.01 -1.43 0.29 0.00 0.42 0.00 0.00 52.86 52.15 3msp s ASN 35 Cb 0.02 -1.79 1.54 0.00 -1.45 0.00 0.00 41.25 39.57 3msp s ASN 35 CO -0.10 -0.36 2.03 0.00 -3.72 0.00 0.00 177.10 174.96 3msp n ALA 36 N 4.67 2.47 -1.61 1.71 0.00 -0.51 -0.61 120.51 126.64 3msp n ALA 36 Ca -0.10 -0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.12 3msp n ALA 36 Cb 0.43 -1.47 0.06 0.00 0.00 0.00 0.00 19.45 18.47 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 1.09 -0.67 0.44 0.00 0.00 -1.25 -4.83 105.19 99.97 3msp n GLY 37 Ca 0.16 -1.77 0.08 0.00 0.00 0.00 0.00 46.02 44.49 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 2.29 4.74 3.30 -0.02 0.00 -1.26 -3.25 105.19 111.00 3msp n GLY 38 Ca 0.05 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 3msp n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3msp n ARG 39 N -1.15 0.59 -2.43 1.61 1.74 -1.26 -4.73 116.66 111.02 3msp n ARG 39 Ca 0.19 -3.01 -0.31 0.00 -0.77 0.00 0.00 57.85 53.95 3msp n ARG 39 Cb 0.74 2.71 -0.02 0.00 -1.02 0.00 0.00 32.46 34.87 3msp n ARG 39 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3msp s ARG 40 N -3.02 3.82 0.25 5.56 3.03 -1.26 -3.44 118.95 123.89 3msp s ARG 40 Ca 0.33 0.76 -0.09 0.00 2.03 0.00 0.00 55.73 58.76 3msp s ARG 40 Cb 0.00 -2.20 -0.01 0.00 -1.03 0.00 0.00 34.95 31.71 3msp s ARG 40 CO 0.24 -0.26 0.40 0.96 -1.13 0.00 0.00 175.30 175.51 3msp s ILE 41 N -2.67 0.00 -0.25 4.99 -4.36 -0.94 -3.74 121.20 114.23 3msp s ILE 41 Ca 0.56 -1.56 0.01 0.00 -0.26 0.00 0.00 60.65 59.39 3msp s ILE 41 Cb -0.10 -2.32 0.07 0.00 1.25 0.00 0.00 42.46 41.36 3msp s ILE 41 CO 0.36 0.00 -0.02 -0.83 0.24 0.00 0.00 174.94 174.69 3msp s GLY 42 N -3.07 1.27 0.21 6.27 0.00 -0.71 -1.74 107.32 109.56 3msp s GLY 42 Ca 0.27 -1.43 0.06 0.00 0.00 0.00 0.00 44.72 43.62 3msp s GLY 42 CO 0.11 1.04 0.20 0.66 0.00 0.00 0.00 173.10 175.10 3msp s TRP 43 N 1.41 3.18 0.08 1.90 1.48 -0.83 -2.10 118.94 124.07 3msp s TRP 43 Ca -0.03 -0.05 -0.16 0.00 -1.06 0.00 0.00 56.10 54.81 3msp s TRP 43 Cb -0.19 -1.48 0.03 0.00 -1.16 0.00 0.00 33.47 30.68 3msp s TRP 43 CO -0.08 0.51 0.37 0.00 -4.06 0.00 0.00 176.95 173.69 3msp s ALA 44 N -1.95 -0.85 0.02 2.67 0.00 -0.73 -2.05 121.76 118.86 3msp s ALA 44 Ca 0.32 0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.38 3msp s ALA 44 Cb -0.09 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.52 3msp s ALA 44 CO 0.25 -0.54 -0.24 0.42 0.00 0.00 0.00 175.76 175.65 3msp s ILE 45 N -3.22 1.91 -0.08 0.00 1.09 -0.77 -2.50 121.20 117.63 3msp s ILE 45 Ca -0.01 -1.18 -0.04 0.00 -1.10 0.00 0.00 60.65 58.32 3msp s ILE 45 Cb 0.01 -1.62 0.05 0.00 -1.06 0.00 0.00 42.46 39.83 3msp s ILE 45 CO -0.08 0.40 0.18 -0.54 -0.10 0.00 0.00 174.94 174.80 3msp s LYS 46 N -0.94 0.10 0.21 2.79 1.02 -0.98 -4.94 119.74 117.01 3msp s LYS 46 Ca 0.10 0.50 0.05 0.00 0.02 0.00 0.00 55.97 56.63 3msp s LYS 46 Cb -0.09 -0.18 -0.03 0.00 -0.52 0.00 0.00 37.83 37.00 3msp s LYS 46 CO 0.01 -0.22 0.28 0.95 -0.92 0.00 0.00 175.35 175.44 3msp s THR 47 N 1.67 4.99 0.47 2.17 -4.23 -1.26 -1.99 115.64 117.46 3msp s THR 47 Ca -0.04 -1.03 0.30 0.00 -1.18 0.00 0.00 61.69 59.73 3msp s THR 47 Cb -0.12 -3.66 0.49 0.00 1.34 0.00 0.00 72.50 70.56 3msp s THR 47 CO -0.07 -0.26 1.73 0.71 -0.54 0.00 0.00 174.62 176.19 3msp h THR 48 N 1.44 0.34 -3.37 3.99 1.35 -1.88 -3.36 112.91 111.43 3msp h THR 48 Ca -0.50 -0.06 -0.38 0.00 -0.55 0.00 0.00 66.41 64.93 3msp h THR 48 Cb 1.22 0.16 -0.37 0.00 -1.73 0.00 0.00 68.15 67.44 3msp h THR 48 CO 0.63 0.03 -0.75 0.21 -0.25 0.00 0.00 175.52 175.39 3msp s ASN 49 N -4.92 0.98 0.00 5.36 2.47 -1.26 -5.01 114.94 112.56 3msp s ASN 49 Ca -0.07 -0.01 0.09 0.00 0.42 0.00 0.00 52.86 53.29 3msp s ASN 49 Cb 0.26 -0.26 0.38 0.00 -1.45 0.00 0.00 41.25 40.18 3msp s ASN 49 CO 0.81 -0.18 1.27 0.23 -3.72 0.00 0.00 177.10 175.52 3msp n MET 50 N 4.80 1.36 -0.14 0.43 2.81 -1.26 -2.76 117.12 122.36 3msp n MET 50 Ca -0.13 -0.56 -0.27 0.00 -1.81 0.00 0.00 57.70 54.93 3msp n MET 50 Cb 0.50 -1.19 -0.11 0.00 -0.71 0.00 0.00 33.22 31.72 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 -0.10 0.61 -0.07 0.03 5.12 -1.26 -4.72 116.66 116.27 3msp n ARG 51 Ca 0.08 0.24 -0.10 0.00 -1.93 0.00 0.00 57.85 56.14 3msp n ARG 51 Cb 0.15 -1.51 -0.08 0.00 -1.16 0.00 0.00 32.46 29.86 3msp n ARG 51 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3msp h ARG 52 N -0.75 0.00 -6.58 5.56 3.08 -1.96 -3.47 114.38 110.25 3msp h ARG 52 Ca -0.67 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 58.87 3msp h ARG 52 Cb 1.68 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.73 3msp h ARG 52 CO -0.34 0.64 -0.09 -0.51 -1.07 0.00 0.00 179.97 178.60 3msp s LEU 53 N -8.27 3.99 0.01 3.04 1.43 -1.11 -1.50 118.68 116.27 3msp s LEU 53 Ca -0.15 0.78 -0.21 0.00 -1.03 0.00 0.00 54.13 53.52 3msp s LEU 53 Cb -0.01 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.64 3msp s LEU 53 CO 0.44 -0.26 0.47 -0.44 0.23 0.00 0.00 176.35 176.80 3msp s SER 54 N -3.28 -0.39 0.18 2.29 0.01 -0.12 -4.39 113.70 108.01 3msp s SER 54 Ca 0.45 0.23 0.11 0.00 1.31 0.00 0.00 55.95 58.05 3msp s SER 54 Cb -0.11 0.44 -0.04 0.00 0.21 0.00 0.00 66.02 66.52 3msp s SER 54 CO 0.31 -0.61 -0.22 0.68 0.41 0.00 0.00 173.24 173.81 3msp s VAL 55 N -1.87 2.47 -0.30 3.43 -7.23 -1.26 -1.02 120.40 114.62 3msp s VAL 55 Ca -0.09 -1.93 -0.13 0.00 -1.81 0.00 0.00 61.98 58.02 3msp s VAL 55 Cb -0.02 -2.18 0.18 0.00 0.56 0.00 0.00 36.38 34.92 3msp s VAL 55 CO 0.02 -0.08 1.03 -0.62 -0.31 0.00 0.00 175.10 175.14 3msp s ASP 56 N -2.60 -0.50 0.33 4.85 -1.08 -0.37 -4.01 116.67 113.29 3msp s ASP 56 Ca 0.20 0.32 -0.28 0.00 -0.52 0.00 0.00 52.55 52.27 3msp s ASP 56 Cb -0.08 1.42 -0.10 0.00 -1.46 0.00 0.00 42.92 42.70 3msp s ASP 56 CO 0.10 -0.09 1.23 -2.16 0.52 0.00 0.00 175.17 174.77 3msp s PRO 57 N 2.93 4.37 0.00 4.34 0.04 -1.26 -1.40 135.00 144.02 3msp s PRO 57 Ca -0.00 2.05 0.24 0.00 0.04 0.00 0.00 61.00 63.33 3msp s PRO 57 Cb -0.10 -3.03 1.22 0.00 0.04 0.00 0.00 34.50 32.62 3msp s PRO 57 CO -0.12 -0.12 1.81 -0.35 0.04 0.00 0.00 177.00 178.27 3msp n PRO 58 N 0.76 0.32 -3.68 0.56 -0.04 -1.26 -4.75 135.00 126.91 3msp n PRO 58 Ca 0.00 0.06 0.01 0.00 -0.04 0.00 0.00 63.50 63.53 3msp n PRO 58 Cb 0.43 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.54 0.49 3.52 0.00 0.00 -0.87 -4.99 105.19 102.81 3msp n GLY 60 Ca -0.07 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 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 4.81 0.34 1.61 1.01 -1.26 -1.97 120.40 122.93 3msp s VAL 61 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3msp s VAL 61 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 3msp s VAL 61 CO 0.00 0.30 0.54 -0.22 0.00 0.00 0.00 175.10 175.72 3msp s LEU 62 N 1.62 4.03 0.37 3.92 2.96 -0.71 -4.90 118.68 125.97 3msp s LEU 62 Ca 0.07 0.46 0.08 0.00 -0.22 0.00 0.00 54.13 54.52 3msp s LEU 62 Cb -0.15 -3.32 -0.06 0.00 0.50 0.00 0.00 46.19 43.16 3msp s LEU 62 CO 0.07 -0.28 0.08 -1.81 -1.32 0.00 0.00 176.35 173.09 3msp s ASP 63 N -3.94 4.27 -0.33 3.68 1.11 -1.26 -2.22 116.67 117.96 3msp s ASP 63 Ca 0.40 -1.05 -0.33 0.00 0.18 0.00 0.00 52.55 51.75 3msp s ASP 63 Cb -0.10 -0.51 -0.10 0.00 1.07 0.00 0.00 42.92 43.28 3msp s ASP 63 CO 0.35 -0.37 2.22 -0.81 1.18 0.00 0.00 175.17 177.74 3msp n PRO 64 N -1.07 1.27 -3.32 8.23 -0.04 -1.22 -1.45 135.00 137.40 3msp n PRO 64 Ca -0.03 0.33 -0.17 0.00 -0.04 0.00 0.00 63.50 63.59 3msp n PRO 64 Cb 0.64 -2.67 0.08 0.00 -0.04 0.00 0.00 33.50 31.50 3msp n PRO 64 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3msp n LYS 65 N 8.38 -6.19 -4.21 0.54 4.81 0.22 -4.97 118.16 116.72 3msp n LYS 65 Ca 0.39 0.74 -0.27 0.00 -0.87 0.00 0.00 58.31 58.30 3msp n LYS 65 Cb 0.29 -5.46 -0.08 0.00 0.02 0.00 0.00 35.03 29.80 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 -5.50 2.34 0.02 1.64 2.02 -0.53 -4.88 118.70 113.80 3msp s GLU 66 Ca 0.16 -1.10 0.08 0.00 0.02 0.00 0.00 54.97 54.14 3msp s GLU 66 Cb -0.07 -2.34 -0.02 0.00 0.10 0.00 0.00 34.13 31.80 3msp s GLU 66 CO 0.64 0.46 -0.25 0.15 0.02 0.00 0.00 175.26 176.29 3msp s LYS 67 N -2.80 1.82 0.01 1.61 1.02 -1.26 -2.14 119.74 118.00 3msp s LYS 67 Ca 0.26 -0.99 -0.05 0.00 0.02 0.00 0.00 55.97 55.21 3msp s LYS 67 Cb -0.10 -1.89 -0.00 0.00 -0.52 0.00 0.00 37.83 35.32 3msp s LYS 67 CO 0.18 0.50 0.09 0.14 -0.92 0.00 0.00 175.35 175.34 3msp s VAL 68 N -0.71 0.09 0.19 3.17 -7.23 -0.85 -5.02 120.40 110.03 3msp s VAL 68 Ca 0.10 -0.73 -0.01 0.00 -1.81 0.00 0.00 61.98 59.53 3msp s VAL 68 Cb -0.10 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.42 3msp s VAL 68 CO 0.01 -0.40 0.38 -0.22 -0.31 0.00 0.00 175.10 174.56 3msp s LEU 69 N -1.36 4.24 0.04 1.32 2.96 -1.26 -2.20 118.68 122.42 3msp s LEU 69 Ca -0.15 0.43 0.03 0.00 -0.22 0.00 0.00 54.13 54.23 3msp s LEU 69 Cb -0.08 -3.19 -0.02 0.00 0.50 0.00 0.00 46.19 43.40 3msp s LEU 69 CO 0.01 -0.02 -0.10 -0.32 -1.32 0.00 0.00 176.35 174.60 3msp s MET 70 N -3.17 0.63 -0.15 1.98 -2.45 -0.54 -4.74 119.30 110.86 3msp s MET 70 Ca 0.39 -0.73 -0.02 0.00 -1.25 0.00 0.00 55.69 54.07 3msp s MET 70 Cb -0.11 -0.50 -0.02 0.00 1.25 0.00 0.00 34.83 35.45 3msp s MET 70 CO 0.28 0.11 -0.07 0.00 1.05 0.00 0.00 175.02 176.39 3msp s ALA 71 N -1.14 2.85 -0.42 4.11 0.00 -0.49 -1.84 121.76 124.84 3msp s ALA 71 Ca -0.05 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.06 3msp s ALA 71 Cb -0.09 -1.43 0.11 0.00 0.00 0.00 0.00 23.12 21.72 3msp s ALA 71 CO 0.01 0.22 0.17 0.08 0.00 0.00 0.00 175.76 176.24 3msp s VAL 72 N 0.37 2.82 -0.10 0.00 1.01 -0.53 -1.24 120.40 122.73 3msp s VAL 72 Ca -0.07 -2.43 -0.30 0.00 0.00 0.00 0.00 61.98 59.19 3msp s VAL 72 Cb -0.15 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 3msp s VAL 72 CO 0.04 -0.69 1.02 -0.94 0.00 0.00 0.00 175.10 174.53 3msp s SER 73 N 1.06 7.23 0.05 3.32 1.04 -0.19 -2.12 113.70 124.10 3msp s SER 73 Ca 0.11 1.55 0.04 0.00 0.48 0.00 0.00 55.95 58.13 3msp s SER 73 Cb -0.21 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.31 3msp s SER 73 CO -0.05 -0.46 -0.01 0.00 0.98 0.00 0.00 173.24 173.70 3msp s ASP 75 N -1.99 6.20 0.59 0.00 1.11 -0.56 -3.77 116.67 118.24 3msp s ASP 75 Ca 0.23 0.37 -0.19 0.00 0.18 0.00 0.00 52.55 53.14 3msp s ASP 75 Cb -0.12 -1.95 -0.05 0.00 1.07 0.00 0.00 42.92 41.87 3msp s ASP 75 CO 0.15 0.35 1.03 0.35 1.18 0.00 0.00 175.17 178.23 3msp n THR 76 N 1.64 3.72 -2.56 -1.27 -2.24 -1.26 -4.96 114.28 107.35 3msp n THR 76 Ca -0.17 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 3msp n THR 76 Cb 0.54 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 3msp n THR 76 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3msp n PHE 77 N -1.59 -0.42 -3.95 4.78 -1.74 -0.91 -5.03 117.46 108.59 3msp n PHE 77 Ca 0.13 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.72 3msp n PHE 77 Cb 0.46 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.31 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 0.60 3.42 -0.24 5.98 0.01 -1.26 -4.54 114.94 118.91 3msp s ASN 78 Ca 0.00 -0.94 0.11 0.00 -0.71 0.00 0.00 52.86 51.32 3msp s ASN 78 Cb 0.00 -1.14 0.70 0.00 0.41 0.00 0.00 41.25 41.22 3msp s ASN 78 CO 0.00 -0.19 1.63 0.00 -1.51 0.00 0.00 177.10 177.03 3msp n ALA 79 N 4.72 3.95 -0.02 0.60 0.00 -1.26 -3.87 120.51 124.62 3msp n ALA 79 Ca -0.13 -1.80 0.02 0.00 0.00 0.00 0.00 53.44 51.53 3msp n ALA 79 Cb 0.46 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.65 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 0.33 2.21 -2.77 0.00 0.00 -1.26 -4.68 120.51 114.33 3msp n ALA 80 Ca 0.29 -0.48 -0.02 0.00 0.00 0.00 0.00 53.44 53.22 3msp n ALA 80 Cb 1.15 -0.29 0.05 0.00 0.00 0.00 0.00 19.45 20.35 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 -2.13 1.35 -3.72 0.00 -2.24 -1.26 -5.08 114.28 101.20 3msp n THR 81 Ca -0.09 -3.02 -0.14 0.00 -2.27 0.00 0.00 64.05 58.53 3msp n THR 81 Cb 0.54 1.10 -0.09 0.00 -2.10 0.00 0.00 70.33 69.78 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 -3.77 0.62 0.56 -0.78 2.02 -1.25 -5.08 118.70 111.02 3msp s GLU 82 Ca 0.29 0.22 -0.21 0.00 0.02 0.00 0.00 54.97 55.29 3msp s GLU 82 Cb 0.33 0.29 -0.04 0.00 0.10 0.00 0.00 34.13 34.81 3msp s GLU 82 CO -0.03 -0.14 1.33 -0.51 0.02 0.00 0.00 175.26 175.93 3msp s ASP 83 N -0.57 5.21 -0.48 -0.19 1.01 -1.26 -4.86 116.67 115.53 3msp s ASP 83 Ca -0.07 2.70 0.08 0.00 0.71 0.00 0.00 52.55 55.97 3msp s ASP 83 Cb -0.04 -2.63 0.31 0.00 1.01 0.00 0.00 42.92 41.57 3msp s ASP 83 CO 0.03 -1.61 0.76 0.18 0.21 0.00 0.00 175.17 174.74 3msp n LEU 84 N -1.17 2.31 -0.86 1.23 4.77 -1.26 -4.78 117.00 117.24 3msp n LEU 84 Ca 0.11 -5.22 -0.05 0.00 -0.03 0.00 0.00 56.01 50.82 3msp n LEU 84 Cb 0.46 0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 3msp n LEU 84 CO 0.51 2.22 0.32 -3.20 -1.33 0.00 0.00 177.39 175.92 3msp n ASN 85 N 0.46 -0.72 0.00 -1.43 2.85 -1.26 -4.92 115.26 110.23 3msp n ASN 85 Ca 0.27 -1.72 0.00 0.00 -0.11 0.00 0.00 54.58 53.02 3msp n ASN 85 Cb 0.51 0.22 0.00 0.00 1.24 0.00 0.00 39.78 41.75 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 0.00 0.82 -4.49 1.20 3.02 -1.26 -5.01 115.26 109.54 3msp n ASN 86 Ca -0.20 -1.27 -0.42 0.00 -0.03 0.00 0.00 54.58 52.66 3msp n ASN 86 Cb 0.64 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.72 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 -0.27 6.13 -0.10 6.41 1.11 -1.26 -4.81 116.67 123.88 3msp s ASP 87 Ca 0.00 -0.68 -0.06 0.00 0.18 0.00 0.00 52.55 51.99 3msp s ASP 87 Cb 0.00 -2.18 0.04 0.00 1.07 0.00 0.00 42.92 41.85 3msp s ASP 87 CO 0.00 -0.43 0.23 0.00 1.18 0.00 0.00 175.17 176.15 3msp s ARG 88 N 1.83 0.21 -0.13 8.23 1.70 -1.26 -1.27 118.95 128.26 3msp s ARG 88 Ca 0.08 0.45 -0.16 0.00 -0.47 0.00 0.00 55.73 55.63 3msp s ARG 88 Cb -0.18 -0.06 -0.04 0.00 -0.57 0.00 0.00 34.95 34.09 3msp s ARG 88 CO 0.11 -0.13 0.38 0.42 -1.08 0.00 0.00 175.30 175.00 3msp s ILE 89 N 0.94 5.24 -0.20 4.99 1.01 -0.97 -3.70 121.20 128.52 3msp s ILE 89 Ca -0.07 0.74 -0.06 0.00 0.00 0.00 0.00 60.65 61.26 3msp s ILE 89 Cb -0.08 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 3msp s ILE 89 CO -0.06 0.37 0.03 -0.89 0.00 0.00 0.00 174.94 174.40 3msp s THR 90 N 0.46 4.33 -0.23 2.92 2.01 -0.84 -0.47 115.64 123.81 3msp s THR 90 Ca 0.21 -0.19 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 3msp s THR 90 Cb -0.14 -2.96 0.02 0.00 0.01 0.00 0.00 72.50 69.43 3msp s THR 90 CO 0.07 0.43 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.72 3msp s ILE 91 N 0.83 2.87 0.27 1.82 1.09 -0.41 -2.32 121.20 125.35 3msp s ILE 91 Ca 0.02 -0.91 0.11 0.00 -1.10 0.00 0.00 60.65 58.77 3msp s ILE 91 Cb -0.14 -2.40 -0.05 0.00 -1.06 0.00 0.00 42.46 38.82 3msp s ILE 91 CO 0.02 0.29 -0.16 -1.61 -0.10 0.00 0.00 174.94 173.38 3msp s GLU 92 N 1.35 1.82 -0.23 2.79 2.02 -1.04 -1.33 118.70 124.08 3msp s GLU 92 Ca 0.02 -1.67 -0.13 0.00 0.02 0.00 0.00 54.97 53.21 3msp s GLU 92 Cb -0.16 -1.87 0.07 0.00 0.10 0.00 0.00 34.13 32.27 3msp s GLU 92 CO -0.05 0.34 0.56 1.67 0.02 0.00 0.00 175.26 177.80 3msp s TRP 93 N -2.40 -0.83 -0.00 1.61 -2.14 -0.92 -1.78 118.94 112.47 3msp s TRP 93 Ca 0.30 1.72 0.05 0.00 2.66 0.00 0.00 56.10 60.83 3msp s TRP 93 Cb -0.06 0.45 -0.01 0.00 -3.10 0.00 0.00 33.47 30.75 3msp s TRP 93 CO 0.16 -0.43 -0.16 -0.08 -2.66 0.00 0.00 176.95 173.78 3msp s THR 94 N 1.45 1.24 0.27 0.66 -1.32 -0.89 -2.43 115.64 114.63 3msp s THR 94 Ca -0.09 -0.72 -0.30 0.00 -1.21 0.00 0.00 61.69 59.36 3msp s THR 94 Cb -0.06 -1.04 -0.13 0.00 -1.51 0.00 0.00 72.50 69.75 3msp s THR 94 CO -0.16 0.31 1.29 -0.46 -2.21 0.00 0.00 174.62 173.39 3msp n ASN 95 N 2.57 2.42 -4.82 8.08 0.23 -1.26 -1.73 115.26 120.75 3msp n ASN 95 Ca -0.15 1.17 -0.33 0.00 -0.53 0.00 0.00 54.58 54.74 3msp n ASN 95 Cb 0.55 -1.41 -0.07 0.00 -2.08 0.00 0.00 39.78 36.77 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 -0.53 4.41 1.02 5.53 -4.23 -1.25 -4.85 115.64 115.75 3msp s THR 96 Ca 0.63 1.45 -0.15 0.00 -1.18 0.00 0.00 61.69 62.45 3msp s THR 96 Cb -0.65 -3.61 0.08 0.00 1.34 0.00 0.00 72.50 69.67 3msp s THR 96 CO 0.55 -0.30 0.34 -2.65 -0.54 0.00 0.00 174.62 172.02 3msp n PRO 97 N -0.60 -0.90 -1.45 3.99 -0.02 -1.26 -4.72 135.00 130.03 3msp n PRO 97 Ca 0.07 -0.23 -0.49 0.00 -2.02 0.00 0.00 63.50 60.83 3msp n PRO 97 Cb 0.54 -1.85 -0.07 0.00 -0.02 0.00 0.00 33.50 32.10 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 -1.84 1.96 -3.79 2.55 8.00 -1.26 -1.26 116.55 120.92 3msp n ASP 98 Ca 0.05 0.31 -0.24 0.00 0.71 0.00 0.00 54.79 55.62 3msp n ASP 98 Cb 0.57 -1.26 0.02 0.00 -0.02 0.00 0.00 41.12 40.43 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 6.52 -0.33 3.50 0.44 0.00 -1.26 -4.95 105.19 109.12 3msp n GLY 99 Ca 0.43 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.63 -0.10 0.84 4.61 0.00 -0.39 -5.01 121.76 118.09 3msp s ALA 100 Ca 0.15 -0.49 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 3msp s ALA 100 Cb -0.08 -3.08 0.09 0.00 0.00 0.00 0.00 23.12 20.05 3msp s ALA 100 CO 0.83 -3.78 1.09 0.00 0.00 0.00 0.00 175.76 173.90 3msp s ALA 101 N -2.63 1.95 -1.29 0.00 0.00 -1.26 -4.94 121.76 113.60 3msp s ALA 101 Ca 0.68 -0.12 -0.09 0.00 0.00 0.00 0.00 51.96 52.42 3msp s ALA 101 Cb -0.19 -3.15 0.16 0.00 0.00 0.00 0.00 23.12 19.95 3msp s ALA 101 CO 0.60 -2.00 1.89 1.17 0.00 0.00 0.00 175.76 177.43 3msp n LYS 102 N -3.63 3.60 0.00 0.00 4.81 -1.26 -4.83 118.16 116.85 3msp n LYS 102 Ca 0.07 -3.49 0.00 0.00 -0.87 0.00 0.00 58.31 54.02 3msp n LYS 102 Cb 0.56 -2.94 0.00 0.00 0.02 0.00 0.00 35.03 32.67 3msp n LYS 102 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3msp n GLN 103 N 3.93 0.00 -1.59 1.64 10.64 -1.26 -5.05 117.38 125.69 3msp n GLN 103 Ca 0.40 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 55.19 3msp n GLN 103 Cb 0.36 0.00 0.05 0.00 -0.86 0.00 0.00 30.24 29.79 3msp n GLN 103 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 3msp n PHE 104 N -0.04 0.63 -4.00 2.61 7.35 -1.26 -5.02 117.46 117.73 3msp n PHE 104 Ca 0.00 0.45 -0.11 0.00 -0.76 0.00 0.00 57.45 57.03 3msp n PHE 104 Cb 0.00 -2.12 -0.12 0.00 0.35 0.00 0.00 39.48 37.59 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 -2.58 0.33 0.48 -4.13 3.52 -1.26 -5.03 118.95 110.28 3msp s ARG 105 Ca 0.73 -0.55 0.31 0.00 -0.13 0.00 0.00 55.73 56.09 3msp s ARG 105 Cb -0.43 -0.04 1.16 0.00 -1.56 0.00 0.00 34.95 34.08 3msp s ARG 105 CO 0.49 -0.01 1.89 -0.09 -0.81 0.00 0.00 175.30 176.77 3msp h ARG 106 N 4.88 0.00 0.00 5.12 9.65 -2.00 -2.83 114.38 129.20 3msp h ARG 106 Ca -0.32 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 3msp h ARG 106 Cb 1.21 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3msp h ARG 106 CO 0.43 0.00 0.00 0.39 2.80 0.00 0.00 179.97 183.59 3msp n GLU 107 N -2.93 0.19 -0.21 0.20 1.02 -1.26 -2.70 120.64 114.96 3msp n GLU 107 Ca 0.01 0.13 0.04 0.00 -0.02 0.00 0.00 57.16 57.33 3msp n GLU 107 Cb 0.33 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.38 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 -1.34 0.51 -2.20 -0.32 8.01 -1.07 -3.79 117.44 117.25 3msp n TRP 108 Ca 0.08 -0.22 -0.04 0.00 -1.31 0.00 0.00 57.50 56.01 3msp n TRP 108 Cb 0.16 -0.08 -0.03 0.00 -2.01 0.00 0.00 31.31 29.35 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 0.30 -0.10 -0.03 -5.99 3.01 -1.10 -4.88 117.46 108.67 3msp n PHE 109 Ca 0.10 -0.62 -0.01 0.00 1.01 0.00 0.00 57.45 57.93 3msp n PHE 109 Cb 0.36 0.38 -0.07 0.00 -0.01 0.00 0.00 39.48 40.13 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 0.02 1.73 -2.11 -1.08 10.64 -1.25 -5.03 117.38 120.29 3msp n GLN 110 Ca -0.17 -0.03 -0.27 0.00 -1.83 0.00 0.00 57.00 54.69 3msp n GLN 110 Cb 0.83 -1.23 0.09 0.00 -0.86 0.00 0.00 30.24 29.07 3msp n GLN 110 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 3msp s GLY 111 N -3.77 1.67 0.05 2.61 0.00 -1.26 -5.07 107.32 101.55 3msp s GLY 111 Ca -0.04 -0.92 -0.07 0.00 0.00 0.00 0.00 44.72 43.69 3msp s GLY 111 CO 0.39 -0.45 0.33 0.99 0.00 0.00 0.00 173.10 174.36 3msp s ASP 112 N -4.58 6.54 0.02 1.64 1.01 -1.26 -4.97 116.67 115.07 3msp s ASP 112 Ca 0.62 0.64 0.00 0.00 0.71 0.00 0.00 52.55 54.52 3msp s ASP 112 Cb -0.10 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 41.71 3msp s ASP 112 CO 0.47 0.19 0.00 0.61 0.21 0.00 0.00 175.17 176.65 3msp n GLY 113 N 0.87 -1.55 1.44 0.21 0.00 -1.26 -5.06 105.19 99.85 3msp n GLY 113 Ca -0.09 -1.51 0.18 0.00 0.00 0.00 0.00 46.02 44.61 3msp n GLY 113 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3msp n MET 114 N -1.68 -3.16 -0.58 1.61 2.81 -1.26 -5.05 117.12 109.80 3msp n MET 114 Ca -0.00 2.45 0.00 0.00 -1.81 0.00 0.00 57.70 58.34 3msp n MET 114 Cb 0.03 -3.77 0.00 0.00 -0.71 0.00 0.00 33.22 28.78 3msp n MET 114 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3msp n VAL 115 N -4.30 -1.71 -3.47 2.03 0.31 -1.26 -5.04 118.33 104.89 3msp n VAL 115 Ca -0.06 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.93 3msp n VAL 115 Cb 0.68 -2.01 -0.05 0.00 -0.91 0.00 0.00 33.84 31.55 3msp n VAL 115 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3msp s ARG 116 N -2.59 3.84 -0.06 5.55 1.81 -1.02 -4.93 118.95 121.54 3msp s ARG 116 Ca 0.00 0.29 0.05 0.00 -1.72 0.00 0.00 55.73 54.35 3msp s ARG 116 Cb 0.00 -2.90 -0.00 0.00 -0.45 0.00 0.00 34.95 31.60 3msp s ARG 116 CO 0.00 0.48 -0.21 0.50 -0.68 0.00 0.00 175.30 175.38 3msp s ARG 117 N -2.15 2.34 0.21 3.54 3.52 -1.26 -2.17 118.95 122.97 3msp s ARG 117 Ca 0.38 -0.77 0.07 0.00 -0.13 0.00 0.00 55.73 55.27 3msp s ARG 117 Cb -0.14 -1.94 -0.05 0.00 -1.56 0.00 0.00 34.95 31.27 3msp s ARG 117 CO 0.19 0.28 -0.11 0.15 -0.81 0.00 0.00 175.30 175.00 3msp s LYS 118 N 0.04 1.32 0.11 5.12 -0.14 -0.44 -4.98 119.74 120.77 3msp s LYS 118 Ca -0.07 -1.61 0.05 0.00 -1.36 0.00 0.00 55.97 52.98 3msp s LYS 118 Cb -0.14 -1.01 -0.04 0.00 -1.68 0.00 0.00 37.83 34.96 3msp s LYS 118 CO 0.04 0.12 -0.12 -0.80 -0.76 0.00 0.00 175.35 173.83 3msp s ASN 119 N -3.31 1.73 -0.33 2.83 -0.87 -1.26 -1.29 114.94 112.44 3msp s ASN 119 Ca 0.23 -0.78 -0.00 0.00 -1.57 0.00 0.00 52.86 50.74 3msp s ASN 119 Cb 0.01 -0.03 0.14 0.00 -0.02 0.00 0.00 41.25 41.34 3msp s ASN 119 CO 0.07 -0.18 0.27 -0.22 -2.57 0.00 0.00 177.10 174.46 3msp s LEU 120 N -2.36 0.22 0.63 0.60 2.96 0.37 -4.94 118.68 116.17 3msp s LEU 120 Ca 0.06 -1.40 -0.17 0.00 -0.22 0.00 0.00 54.13 52.39 3msp s LEU 120 Cb -0.05 0.16 -0.06 0.00 0.50 0.00 0.00 46.19 46.75 3msp s LEU 120 CO 0.02 -0.34 0.71 -2.65 -1.32 0.00 0.00 176.35 172.76 3msp n PRO 121 N 4.72 0.58 -4.14 0.98 -0.02 -1.25 -2.29 135.00 133.58 3msp n PRO 121 Ca 0.04 0.24 -0.30 0.00 -2.02 0.00 0.00 63.50 61.45 3msp n PRO 121 Cb 0.43 -1.92 -0.08 0.00 -0.02 0.00 0.00 33.50 31.91 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 4.04 0.21 4.25 -1.09 -0.39 -2.51 121.20 124.00 3msp s ILE 122 Ca 0.71 -0.95 0.04 0.00 -2.23 0.00 0.00 60.65 58.22 3msp s ILE 122 Cb -0.41 -2.91 -0.05 0.00 -1.58 0.00 0.00 42.46 37.51 3msp s ILE 122 CO 0.52 0.14 -0.02 -0.70 -1.23 0.00 0.00 174.94 173.65 3msp s GLU 123 N -2.24 1.27 -0.17 2.79 2.12 0.51 -4.89 118.70 118.09 3msp s GLU 123 Ca 0.25 -1.62 -0.01 0.00 0.36 0.00 0.00 54.97 53.95 3msp s GLU 123 Cb -0.12 -0.60 0.04 0.00 0.26 0.00 0.00 34.13 33.72 3msp s GLU 123 CO 0.18 -0.06 -0.03 0.71 -0.54 0.00 0.00 175.26 175.51 3msp s TYR 124 N -3.42 1.55 -1.04 5.30 2.02 -1.26 -0.17 117.35 120.34 3msp s TYR 124 Ca 0.26 -1.02 -0.07 0.00 -0.37 0.00 0.00 57.07 55.87 3msp s TYR 124 Cb 0.05 -1.24 0.26 0.00 -0.40 0.00 0.00 41.96 40.63 3msp s TYR 124 CO 0.07 -0.60 1.00 1.21 -1.57 0.00 0.00 175.55 175.65 3msp s ASN 125 N 1.68 6.91 0.00 2.29 2.47 -0.89 -4.96 114.94 122.44 3msp s ASN 125 Ca 0.00 -3.60 0.03 0.00 0.42 0.00 0.00 52.86 49.72 3msp s ASN 125 Cb -0.16 -2.12 0.17 0.00 -1.45 0.00 0.00 41.25 37.69 3msp s ASN 125 CO -0.07 -0.27 0.65 0.18 -3.72 0.00 0.00 177.10 173.87