#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 0.69 -0.23 0.00 -0.21 -1.26 -4.94 119.66 113.71 3msp s GLN 2 Ca 0.00 -1.39 0.05 0.00 0.02 0.00 0.00 55.36 54.04 3msp s GLN 2 Cb 0.00 -1.09 0.18 0.00 1.00 0.00 0.00 33.01 33.09 3msp s GLN 2 CO 0.00 -1.26 1.04 0.45 -2.12 0.00 0.00 175.29 173.40 3msp n SER 3 N 3.72 -0.96 -4.59 5.90 2.88 -1.26 -5.03 113.62 114.29 3msp n SER 3 Ca 0.17 -1.69 -0.41 0.00 -1.33 0.00 0.00 58.87 55.60 3msp n SER 3 Cb 0.43 0.60 0.02 0.00 -0.75 0.00 0.00 64.21 64.50 3msp n SER 3 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3msp n VAL 4 N -0.62 2.47 -0.77 2.46 0.24 -1.26 -4.92 118.33 115.92 3msp n VAL 4 Ca -0.13 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.34 61.34 3msp n VAL 4 Cb 0.69 -1.06 0.13 0.00 -1.47 0.00 0.00 33.84 32.13 3msp n VAL 4 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3msp n PRO 5 N 0.09 -1.01 -2.07 7.34 -0.02 -1.26 -4.91 135.00 133.17 3msp n PRO 5 Ca 0.10 -0.28 -0.37 0.00 -2.02 0.00 0.00 63.50 60.93 3msp n PRO 5 Cb 0.40 -1.57 0.01 0.00 -0.02 0.00 0.00 33.50 32.32 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 -3.15 3.47 -0.39 0.52 0.04 -1.26 -4.97 135.00 129.25 3msp s PRO 6 Ca 0.52 1.94 -0.24 0.00 0.04 0.00 0.00 61.00 63.26 3msp s PRO 6 Cb -0.10 -2.31 0.02 0.00 0.04 0.00 0.00 34.50 32.14 3msp s PRO 6 CO 0.67 -0.83 0.85 0.20 0.04 0.00 0.00 177.00 177.93 3msp s GLY 7 N -1.23 1.59 -0.22 0.56 0.00 -1.26 -4.98 107.32 101.77 3msp s GLY 7 Ca 0.68 -0.67 -0.40 0.00 0.00 0.00 0.00 44.72 44.33 3msp s GLY 7 CO 0.39 1.88 1.69 1.22 0.00 0.00 0.00 173.10 178.28 3msp n ASP 8 N 6.68 2.29 -4.87 1.64 8.00 -1.26 -4.40 116.55 124.64 3msp n ASP 8 Ca 0.04 1.08 -0.34 0.00 0.71 0.00 0.00 54.79 56.29 3msp n ASP 8 Cb 0.48 -1.15 -0.05 0.00 -0.02 0.00 0.00 41.12 40.38 3msp n ASP 8 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3msp s ILE 9 N 3.11 5.04 0.11 0.53 -4.36 -1.26 -3.49 121.20 120.88 3msp s ILE 9 Ca 0.96 0.43 -0.11 0.00 -0.26 0.00 0.00 60.65 61.67 3msp s ILE 9 Cb -1.05 -3.65 -0.06 0.00 1.25 0.00 0.00 42.46 38.95 3msp s ILE 9 CO 0.63 0.16 0.46 0.20 0.24 0.00 0.00 174.94 176.63 3msp s ASN 10 N -2.01 6.70 0.07 4.36 0.01 -0.63 -4.92 114.94 118.52 3msp s ASN 10 Ca 0.38 0.89 0.02 0.00 -0.71 0.00 0.00 52.86 53.45 3msp s ASN 10 Cb -0.13 -2.22 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 3msp s ASN 10 CO 0.20 0.14 -0.08 0.42 -1.51 0.00 0.00 177.10 176.27 3msp s THR 11 N -1.44 0.64 -0.02 1.60 -4.23 -1.26 -1.65 115.64 109.28 3msp s THR 11 Ca 0.35 -1.45 -0.00 0.00 -1.18 0.00 0.00 61.69 59.41 3msp s THR 11 Cb -0.14 -1.08 0.03 0.00 1.34 0.00 0.00 72.50 72.65 3msp s THR 11 CO 0.19 -0.58 0.04 -1.10 -0.54 0.00 0.00 174.62 172.63 3msp s GLN 12 N -2.52 -0.04 0.89 3.99 -1.52 -0.19 -3.71 119.66 116.54 3msp s GLN 12 Ca -0.00 0.23 -0.11 0.00 -1.95 0.00 0.00 55.36 53.52 3msp s GLN 12 Cb -0.04 -0.31 0.12 0.00 -0.22 0.00 0.00 33.01 32.57 3msp s GLN 12 CO -0.02 -0.20 1.09 -1.25 -0.25 0.00 0.00 175.29 174.66 3msp s PRO 13 N 1.30 1.33 0.22 2.91 0.04 -1.26 -2.48 135.00 137.07 3msp s PRO 13 Ca -0.06 0.93 -0.17 0.00 0.04 0.00 0.00 61.00 61.74 3msp s PRO 13 Cb -0.13 -1.81 0.23 0.00 0.04 0.00 0.00 34.50 32.84 3msp s PRO 13 CO -0.03 -2.22 1.57 0.77 0.04 0.00 0.00 177.00 177.13 3msp h SER 14 N -1.54 -1.21 0.00 6.66 0.02 -1.99 -3.39 113.55 112.09 3msp h SER 14 Ca -0.48 0.27 -0.07 0.00 -0.84 0.00 0.00 61.79 60.67 3msp h SER 14 Cb 1.27 0.65 -0.09 0.00 0.14 0.00 0.00 62.40 64.38 3msp h SER 14 CO 0.53 -0.29 0.23 1.67 -1.14 0.00 0.00 176.83 177.83 3msp n GLN 15 N -5.48 0.10 -3.15 3.45 7.27 -1.26 -4.89 117.38 113.42 3msp n GLN 15 Ca 0.09 -0.61 0.05 0.00 0.07 0.00 0.00 57.00 56.60 3msp n GLN 15 Cb 0.40 -0.01 -0.01 0.00 2.41 0.00 0.00 30.24 33.03 3msp n GLN 15 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 3msp s LYS 16 N 0.02 0.29 0.13 3.69 -2.85 -1.26 -4.09 119.74 115.66 3msp s LYS 16 Ca 0.02 0.44 0.10 0.00 -1.00 0.00 0.00 55.97 55.54 3msp s LYS 16 Cb 0.04 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 36.01 3msp s LYS 16 CO -0.01 -0.37 -0.26 -1.50 0.10 0.00 0.00 175.35 173.30 3msp s ILE 17 N 2.93 2.16 -0.36 3.79 2.07 -1.06 -4.77 121.20 125.96 3msp s ILE 17 Ca 0.10 -1.73 0.00 0.00 -1.41 0.00 0.00 60.65 57.60 3msp s ILE 17 Cb -0.10 -1.93 0.12 0.00 0.13 0.00 0.00 42.46 40.69 3msp s ILE 17 CO -0.17 0.05 0.16 -0.69 -1.91 0.00 0.00 174.94 172.39 3msp s VAL 18 N -1.11 0.87 -0.69 4.00 1.01 -1.26 -0.03 120.40 123.19 3msp s VAL 18 Ca 0.13 -1.78 -0.26 0.00 0.00 0.00 0.00 61.98 60.08 3msp s VAL 18 Cb -0.10 -1.64 -0.13 0.00 0.00 0.00 0.00 36.38 34.51 3msp s VAL 18 CO 0.06 -0.80 2.45 0.49 0.00 0.00 0.00 175.10 177.30 3msp n PHE 19 N 4.33 1.10 -1.57 5.22 3.01 -0.20 -4.65 117.46 124.71 3msp n PHE 19 Ca 0.03 0.13 -0.36 0.00 1.01 0.00 0.00 57.45 58.26 3msp n PHE 19 Cb 0.39 -2.42 0.08 0.00 -0.01 0.00 0.00 39.48 37.51 3msp n PHE 19 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3msp n ASN 20 N 14.81 1.59 -4.55 4.37 3.02 -1.26 -2.48 115.26 130.76 3msp n ASN 20 Ca 0.47 0.76 -0.28 0.00 -0.03 0.00 0.00 54.58 55.50 3msp n ASN 20 Cb 0.40 -1.52 0.23 0.00 -0.61 0.00 0.00 39.78 38.28 3msp n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3msp s ALA 21 N -1.58 -0.05 0.45 5.41 0.00 0.21 -4.82 121.76 121.39 3msp s ALA 21 Ca 0.80 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.52 3msp s ALA 21 Cb -0.36 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 3msp s ALA 21 CO 0.44 -3.55 0.67 -1.25 0.00 0.00 0.00 175.76 172.07 3msp s PRO 22 N -4.64 3.10 -0.56 0.00 0.04 -1.26 -5.06 135.00 126.62 3msp s PRO 22 Ca 0.67 -0.46 0.01 0.00 0.04 0.00 0.00 61.00 61.26 3msp s PRO 22 Cb -0.23 -2.56 0.50 0.00 0.04 0.00 0.00 34.50 32.26 3msp s PRO 22 CO 0.62 -0.25 1.89 0.66 0.04 0.00 0.00 177.00 179.96 3msp n TYR 23 N -2.07 3.02 0.37 0.56 4.01 -1.26 -4.26 117.16 117.52 3msp n TYR 23 Ca 0.01 -2.61 0.04 0.00 -0.16 0.00 0.00 57.90 55.18 3msp n TYR 23 Cb 0.57 -1.17 -0.01 0.00 -0.31 0.00 0.00 39.34 38.42 3msp n TYR 23 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3msp n ASP 24 N -0.96 0.93 -0.14 7.72 9.92 -1.26 -2.07 116.55 130.69 3msp n ASP 24 Ca 0.58 -0.97 0.00 0.00 -0.53 0.00 0.00 54.79 53.88 3msp n ASP 24 Cb 0.93 0.59 0.00 0.00 -0.64 0.00 0.00 41.12 42.00 3msp n ASP 24 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3msp n ASP 25 N -0.49 0.00 -4.86 -2.24 2.03 -1.26 -4.89 116.55 104.84 3msp n ASP 25 Ca 0.03 -0.14 -0.36 0.00 0.52 0.00 0.00 54.79 54.83 3msp n ASP 25 Cb 0.16 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.51 3msp n ASP 25 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3msp s LYS 26 N 0.57 3.80 -0.40 -0.67 1.02 -1.26 -2.54 119.74 120.26 3msp s LYS 26 Ca 0.00 0.25 0.08 0.00 0.02 0.00 0.00 55.97 56.31 3msp s LYS 26 Cb 0.00 -3.12 0.18 0.00 -0.52 0.00 0.00 37.83 34.38 3msp s LYS 26 CO 0.00 0.64 0.62 -3.38 -0.92 0.00 0.00 175.35 172.31 3msp s HIS 27 N -1.22 -1.70 0.25 3.18 -3.43 -1.16 -5.03 115.29 106.18 3msp s HIS 27 Ca 0.27 0.31 -0.23 0.00 -0.80 0.00 0.00 55.06 54.61 3msp s HIS 27 Cb -0.15 0.29 -0.09 0.00 -1.43 0.00 0.00 32.58 31.21 3msp s HIS 27 CO 0.15 -1.16 0.82 0.99 -2.00 0.00 0.00 174.74 173.53 3msp s THR 28 N 1.94 4.40 -0.09 -5.38 2.01 -1.26 -4.15 115.64 113.11 3msp s THR 28 Ca 0.15 1.55 0.04 0.00 0.31 0.00 0.00 61.69 63.74 3msp s THR 28 Cb -0.05 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.50 3msp s THR 28 CO -0.09 0.23 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.54 3msp s TYR 29 N -1.50 2.37 -0.15 4.92 1.51 -1.14 -4.93 117.35 118.43 3msp s TYR 29 Ca 0.45 -0.95 -0.11 0.00 -1.01 0.00 0.00 57.07 55.46 3msp s TYR 29 Cb -0.18 -1.59 -0.05 0.00 -0.11 0.00 0.00 41.96 40.03 3msp s TYR 29 CO 0.23 -0.38 0.20 -3.38 -1.11 0.00 0.00 175.55 171.11 3msp s HIS 30 N 0.37 3.51 0.06 2.71 -3.43 -1.26 -1.45 115.29 115.80 3msp s HIS 30 Ca -0.17 0.52 -0.00 0.00 -0.80 0.00 0.00 55.06 54.61 3msp s HIS 30 Cb -0.17 -2.16 -0.04 0.00 -1.43 0.00 0.00 32.58 28.78 3msp s HIS 30 CO 0.08 0.44 0.21 0.42 -2.00 0.00 0.00 174.74 173.89 3msp s ILE 31 N -0.15 5.39 -0.23 -5.38 -1.09 -0.38 -4.92 121.20 114.43 3msp s ILE 31 Ca 0.14 -0.38 -0.10 0.00 -2.23 0.00 0.00 60.65 58.07 3msp s ILE 31 Cb -0.12 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 3msp s ILE 31 CO 0.03 0.15 0.15 -0.54 -1.23 0.00 0.00 174.94 173.49 3msp s LYS 32 N -2.49 4.10 0.15 2.79 1.02 -1.04 -2.27 119.74 122.01 3msp s LYS 32 Ca 0.35 -0.26 0.08 0.00 0.02 0.00 0.00 55.97 56.16 3msp s LYS 32 Cb -0.13 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 3msp s LYS 32 CO 0.28 0.13 -0.19 0.42 -0.92 0.00 0.00 175.35 175.06 3msp s ILE 33 N 0.87 1.79 0.05 2.17 1.01 -1.04 -1.03 121.20 125.02 3msp s ILE 33 Ca 0.08 -1.82 -0.20 0.00 0.00 0.00 0.00 60.65 58.71 3msp s ILE 33 Cb -0.13 -1.77 0.04 0.00 0.01 0.00 0.00 42.46 40.62 3msp s ILE 33 CO 0.03 -0.25 0.45 -0.89 0.00 0.00 0.00 174.94 174.28 3msp s THR 34 N -1.82 0.05 -1.01 2.92 2.01 -0.66 -2.09 115.64 115.03 3msp s THR 34 Ca 0.13 -0.38 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 3msp s THR 34 Cb -0.07 -0.98 0.25 0.00 0.01 0.00 0.00 72.50 71.72 3msp s THR 34 CO 0.06 -0.21 0.97 0.21 -0.69 0.00 0.00 174.62 174.96 3msp s ASN 35 N -2.07 6.89 0.62 3.53 2.47 -0.93 -1.61 114.94 123.83 3msp s ASN 35 Ca -0.04 -3.50 0.30 0.00 0.42 0.00 0.00 52.86 50.04 3msp s ASN 35 Cb -0.01 -2.13 1.67 0.00 -1.45 0.00 0.00 41.25 39.33 3msp s ASN 35 CO -0.03 -0.30 2.01 0.00 -3.72 0.00 0.00 177.10 175.06 3msp h ALA 36 N 6.65 1.68 -3.00 1.71 0.00 -1.84 0.19 119.26 124.66 3msp h ALA 36 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3msp h ALA 36 Cb 0.88 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3msp h ALA 36 CO 0.94 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.20 3msp n GLY 37 N -1.34 -1.44 2.73 0.00 0.00 -1.25 -4.79 105.19 99.09 3msp n GLY 37 Ca 0.02 -1.52 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 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 3.74 1.62 3.58 -0.02 0.00 -1.26 -3.42 105.19 109.43 3msp n GLY 38 Ca 0.00 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 3msp n GLY 38 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3msp s ARG 39 N -3.29 0.77 0.27 1.61 3.00 -1.26 -4.87 118.95 115.18 3msp s ARG 39 Ca 0.27 0.95 -0.29 0.00 -1.00 0.00 0.00 55.73 55.66 3msp s ARG 39 Cb 0.41 0.36 -0.14 0.00 0.00 0.00 0.00 34.95 35.57 3msp s ARG 39 CO 0.01 -0.10 1.07 0.54 0.00 0.00 0.00 175.30 176.82 3msp n ARG 40 N 2.85 1.39 -4.29 5.12 1.74 -1.26 -4.58 116.66 117.62 3msp n ARG 40 Ca -0.14 0.49 -0.17 0.00 -0.77 0.00 0.00 57.85 57.25 3msp n ARG 40 Cb 0.56 -1.91 -0.09 0.00 -1.02 0.00 0.00 32.46 30.00 3msp n ARG 40 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3msp s ILE 41 N -0.83 0.19 -0.33 0.55 -4.36 -0.90 -1.84 121.20 113.68 3msp s ILE 41 Ca 0.62 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 59.00 3msp s ILE 41 Cb -0.72 -2.51 0.11 0.00 1.25 0.00 0.00 42.46 40.58 3msp s ILE 41 CO 0.58 0.00 0.12 -0.83 0.24 0.00 0.00 174.94 175.05 3msp s GLY 42 N -3.32 1.08 0.30 6.27 0.00 -0.41 -1.99 107.32 109.25 3msp s GLY 42 Ca 0.38 -1.74 -0.04 0.00 0.00 0.00 0.00 44.72 43.31 3msp s GLY 42 CO 0.18 1.68 0.56 0.66 0.00 0.00 0.00 173.10 176.18 3msp s TRP 43 N 1.48 3.48 0.07 1.90 1.48 -0.75 -2.28 118.94 124.33 3msp s TRP 43 Ca 0.11 0.60 -0.08 0.00 -1.06 0.00 0.00 56.10 55.67 3msp s TRP 43 Cb -0.18 -2.08 -0.00 0.00 -1.16 0.00 0.00 33.47 30.05 3msp s TRP 43 CO -0.22 0.15 0.17 0.00 -4.06 0.00 0.00 176.95 172.99 3msp s ALA 44 N -2.14 -0.21 0.10 2.67 0.00 0.26 -2.01 121.76 120.41 3msp s ALA 44 Ca 0.43 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 51.93 3msp s ALA 44 Cb -0.11 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 3msp s ALA 44 CO 0.31 -0.45 -0.21 0.42 0.00 0.00 0.00 175.76 175.84 3msp s ILE 45 N -3.40 1.68 -0.27 0.00 1.09 -0.81 -1.82 121.20 117.67 3msp s ILE 45 Ca 0.01 -1.51 -0.17 0.00 -1.10 0.00 0.00 60.65 57.88 3msp s ILE 45 Cb 0.03 -1.53 0.08 0.00 -1.06 0.00 0.00 42.46 39.98 3msp s ILE 45 CO -0.08 -0.05 0.68 -0.54 -0.10 0.00 0.00 174.94 174.85 3msp s LYS 46 N -1.85 0.71 0.23 2.79 1.02 -0.70 -4.94 119.74 117.00 3msp s LYS 46 Ca 0.06 1.18 0.08 0.00 0.02 0.00 0.00 55.97 57.31 3msp s LYS 46 Cb -0.10 0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 37.34 3msp s LYS 46 CO 0.04 -0.14 0.07 0.95 -0.92 0.00 0.00 175.35 175.34 3msp s THR 47 N 1.47 3.89 0.54 2.17 -4.23 -1.26 -0.67 115.64 117.55 3msp s THR 47 Ca -0.09 -1.58 0.30 0.00 -1.18 0.00 0.00 61.69 59.14 3msp s THR 47 Cb -0.05 -3.05 0.46 0.00 1.34 0.00 0.00 72.50 71.19 3msp s THR 47 CO -0.17 -0.29 1.92 0.71 -0.54 0.00 0.00 174.62 176.25 3msp h THR 48 N 1.91 0.60 -3.24 3.99 1.35 -1.89 -3.36 112.91 112.26 3msp h THR 48 Ca -0.46 0.00 -0.58 0.00 -0.55 0.00 0.00 66.41 64.82 3msp h THR 48 Cb 1.23 0.60 -0.37 0.00 -1.73 0.00 0.00 68.15 67.89 3msp h THR 48 CO 0.60 0.00 -0.81 0.20 -0.25 0.00 0.00 175.52 175.26 3msp s ASN 49 N -5.78 2.77 -0.11 5.36 0.01 -1.26 -4.99 114.94 110.94 3msp s ASN 49 Ca -0.05 -0.58 0.09 0.00 -0.71 0.00 0.00 52.86 51.61 3msp s ASN 49 Cb 0.21 -1.07 0.45 0.00 0.41 0.00 0.00 41.25 41.25 3msp s ASN 49 CO 0.76 -0.12 1.22 0.23 -1.51 0.00 0.00 177.10 177.68 3msp n MET 50 N 4.81 2.98 -0.07 -0.60 2.81 -1.26 -3.44 117.12 122.36 3msp n MET 50 Ca -0.14 -1.73 -0.12 0.00 -1.81 0.00 0.00 57.70 53.90 3msp n MET 50 Cb 0.49 -1.83 -0.06 0.00 -0.71 0.00 0.00 33.22 31.11 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 0.42 0.33 -0.06 0.03 1.74 -1.26 -4.82 116.66 113.04 3msp n ARG 51 Ca 0.15 0.10 -0.04 0.00 -0.77 0.00 0.00 57.85 57.30 3msp n ARG 51 Cb 0.71 -1.18 -0.02 0.00 -1.02 0.00 0.00 32.46 30.95 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 -0.20 0.00 -6.56 5.56 -0.00 -1.95 -3.47 114.38 107.77 3msp h ARG 52 Ca -0.33 0.00 -0.52 0.00 -0.50 0.00 0.00 59.98 58.63 3msp h ARG 52 Cb 1.42 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.36 3msp h ARG 52 CO -0.12 0.10 0.19 -0.51 0.00 0.00 0.00 179.97 179.64 3msp s LEU 53 N -8.37 4.55 -0.21 3.04 1.43 -1.22 -3.72 118.68 114.18 3msp s LEU 53 Ca -0.08 1.64 -0.04 0.00 -1.03 0.00 0.00 54.13 54.61 3msp s LEU 53 Cb 0.01 -3.38 0.08 0.00 0.03 0.00 0.00 46.19 42.92 3msp s LEU 53 CO 0.16 0.17 0.13 -0.44 0.23 0.00 0.00 176.35 176.59 3msp s SER 54 N -1.24 2.42 0.54 2.29 0.01 -0.84 -4.54 113.70 112.35 3msp s SER 54 Ca 0.38 -0.70 -0.18 0.00 1.31 0.00 0.00 55.95 56.75 3msp s SER 54 Cb -0.22 -0.14 -0.06 0.00 0.21 0.00 0.00 66.02 65.81 3msp s SER 54 CO 0.26 -0.37 1.05 0.68 0.41 0.00 0.00 173.24 175.27 3msp s VAL 55 N 2.17 3.78 -0.30 3.43 -7.23 -1.26 -1.70 120.40 119.28 3msp s VAL 55 Ca 0.05 0.97 -0.10 0.00 -1.81 0.00 0.00 61.98 61.08 3msp s VAL 55 Cb -0.16 -3.41 0.17 0.00 0.56 0.00 0.00 36.38 33.54 3msp s VAL 55 CO -0.16 -0.37 0.90 -1.81 -0.31 0.00 0.00 175.10 173.35 3msp s ASP 56 N -2.37 -0.75 0.30 4.85 1.01 -0.50 -4.02 116.67 115.20 3msp s ASP 56 Ca 0.66 0.64 -0.28 0.00 0.71 0.00 0.00 52.55 54.27 3msp s ASP 56 Cb -0.16 1.70 -0.09 0.00 1.01 0.00 0.00 42.92 45.37 3msp s ASP 56 CO 0.28 -0.14 1.09 -2.16 0.21 0.00 0.00 175.17 174.46 3msp s PRO 57 N 2.79 4.54 0.00 8.23 0.04 -1.26 -1.73 135.00 147.61 3msp s PRO 57 Ca 0.04 1.76 0.24 0.00 0.04 0.00 0.00 61.00 63.07 3msp s PRO 57 Cb -0.10 -3.07 1.29 0.00 0.04 0.00 0.00 34.50 32.66 3msp s PRO 57 CO -0.16 0.14 1.80 -0.35 0.04 0.00 0.00 177.00 178.47 3msp n PRO 58 N 0.95 0.48 -3.60 0.56 -0.04 -1.26 -4.81 135.00 127.28 3msp n PRO 58 Ca 0.00 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.42 3msp n PRO 58 Cb 0.46 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 3msp n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3msp s GLY 60 N -0.79 -0.06 -0.23 0.00 0.00 -0.85 -5.01 107.32 100.38 3msp s GLY 60 Ca 0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 44.72 44.60 3msp s GLY 60 CO -0.02 1.68 0.06 0.14 0.00 0.00 0.00 173.10 174.95 3msp s VAL 61 N -2.51 4.32 -0.20 1.40 1.01 -1.26 -1.80 120.40 121.36 3msp s VAL 61 Ca 0.19 -0.18 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 3msp s VAL 61 Cb -0.01 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3msp s VAL 61 CO 0.03 0.37 0.41 -0.22 0.00 0.00 0.00 175.10 175.69 3msp s LEU 62 N 1.30 4.16 0.61 3.92 1.98 -0.84 -4.91 118.68 124.90 3msp s LEU 62 Ca 0.05 0.53 -0.10 0.00 -2.89 0.00 0.00 54.13 51.72 3msp s LEU 62 Cb -0.15 -2.53 -0.02 0.00 0.66 0.00 0.00 46.19 44.15 3msp s LEU 62 CO 0.03 -0.08 0.99 -1.81 -1.89 0.00 0.00 176.35 173.59 3msp s ASP 63 N 1.04 6.01 -0.67 3.68 1.11 -1.26 -2.12 116.67 124.45 3msp s ASP 63 Ca 0.19 1.21 -0.28 0.00 0.18 0.00 0.00 52.55 53.85 3msp s ASP 63 Cb -0.15 -2.25 -0.13 0.00 1.07 0.00 0.00 42.92 41.47 3msp s ASP 63 CO 0.08 -0.94 2.51 -2.65 1.18 0.00 0.00 175.17 175.35 3msp n PRO 64 N -2.71 0.66 -2.91 8.23 -0.02 -1.26 -0.96 135.00 136.03 3msp n PRO 64 Ca 0.05 0.01 -0.11 0.00 -2.02 0.00 0.00 63.50 61.44 3msp n PRO 64 Cb 0.55 -2.66 0.04 0.00 -0.02 0.00 0.00 33.50 31.41 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 8.77 -3.84 -4.12 -0.52 5.02 0.67 -4.96 118.16 119.17 3msp n LYS 65 Ca 0.48 0.44 -0.27 0.00 -2.02 0.00 0.00 58.31 56.94 3msp n LYS 65 Cb 0.34 -4.28 -0.06 0.00 -0.02 0.00 0.00 35.03 31.00 3msp n LYS 65 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3msp s GLU 66 N -5.18 2.71 -0.09 1.97 2.56 -0.13 -4.82 118.70 115.71 3msp s GLU 66 Ca 0.15 -0.93 0.00 0.00 0.00 0.00 0.00 54.97 54.19 3msp s GLU 66 Cb -0.07 -2.55 -0.03 0.00 2.00 0.00 0.00 34.13 33.49 3msp s GLU 66 CO 0.38 0.48 -0.07 -1.59 -0.56 0.00 0.00 175.26 173.90 3msp s LYS 67 N -2.94 2.97 0.02 4.30 -2.85 -1.26 -2.20 119.74 117.77 3msp s LYS 67 Ca 0.29 -0.56 0.02 0.00 -1.00 0.00 0.00 55.97 54.72 3msp s LYS 67 Cb -0.10 -2.64 -0.01 0.00 -2.06 0.00 0.00 37.83 33.01 3msp s LYS 67 CO 0.21 0.54 -0.06 0.54 0.10 0.00 0.00 175.35 176.68 3msp s VAL 68 N -0.47 0.44 -0.27 1.79 0.11 -0.89 -5.03 120.40 116.08 3msp s VAL 68 Ca 0.07 -0.68 -0.07 0.00 -2.93 0.00 0.00 61.98 58.37 3msp s VAL 68 Cb -0.12 -0.46 -0.01 0.00 -1.53 0.00 0.00 36.38 34.27 3msp s VAL 68 CO 0.02 -0.17 0.06 -0.22 -3.33 0.00 0.00 175.10 171.46 3msp s LEU 69 N -0.92 3.59 0.03 2.54 2.96 -1.26 -2.51 118.68 123.11 3msp s LEU 69 Ca -0.05 -0.51 -0.00 0.00 -0.22 0.00 0.00 54.13 53.35 3msp s LEU 69 Cb -0.06 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 3msp s LEU 69 CO 0.00 -0.12 0.16 -0.32 -1.32 0.00 0.00 176.35 174.75 3msp s MET 70 N 1.53 3.28 -0.04 1.98 -2.45 -0.96 -4.70 119.30 117.95 3msp s MET 70 Ca 0.04 -0.45 0.04 0.00 -1.25 0.00 0.00 55.69 54.07 3msp s MET 70 Cb -0.16 -2.98 -0.03 0.00 1.25 0.00 0.00 34.83 32.92 3msp s MET 70 CO 0.02 0.63 -0.14 0.00 1.05 0.00 0.00 175.02 176.58 3msp s ALA 71 N -1.37 2.70 -0.56 4.11 0.00 -0.70 -1.25 121.76 124.68 3msp s ALA 71 Ca 0.29 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.29 3msp s ALA 71 Cb -0.13 -0.97 0.15 0.00 0.00 0.00 0.00 23.12 22.18 3msp s ALA 71 CO 0.21 0.56 0.36 0.08 0.00 0.00 0.00 175.76 176.98 3msp s VAL 72 N -0.78 2.13 0.17 0.00 1.01 -0.53 -1.41 120.40 121.00 3msp s VAL 72 Ca 0.12 -3.43 -0.33 0.00 0.00 0.00 0.00 61.98 58.34 3msp s VAL 72 Cb -0.11 -2.44 -0.13 0.00 0.00 0.00 0.00 36.38 33.70 3msp s VAL 72 CO 0.02 -0.96 1.66 -1.20 0.00 0.00 0.00 175.10 174.61 3msp n SER 73 N 2.72 3.49 -4.05 3.32 7.64 -0.69 -2.87 113.62 123.18 3msp n SER 73 Ca 0.15 1.07 -0.30 0.00 1.01 0.00 0.00 58.87 60.80 3msp n SER 73 Cb 0.36 -1.49 -0.16 0.00 -1.01 0.00 0.00 64.21 61.91 3msp n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3msp s ASP 75 N 1.27 6.85 1.00 0.00 1.01 -1.24 -2.98 116.67 122.58 3msp s ASP 75 Ca 0.00 1.01 -0.15 0.00 0.71 0.00 0.00 52.55 54.12 3msp s ASP 75 Cb -0.14 -2.28 0.02 0.00 1.01 0.00 0.00 42.92 41.54 3msp s ASP 75 CO -0.07 0.28 0.08 1.07 0.21 0.00 0.00 175.17 176.73 3msp n THR 76 N 2.02 0.00 -2.65 -1.27 5.66 -1.05 -5.01 114.28 111.99 3msp n THR 76 Ca -0.12 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 3msp n THR 76 Cb 0.52 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3msp n THR 76 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 3msp n PHE 77 N -3.69 -0.10 -4.02 1.09 -1.74 -0.88 -4.99 117.46 103.13 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 0.57 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.42 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 1.44 3.69 -0.19 5.98 -0.87 -1.26 -4.63 114.94 119.10 3msp s ASN 78 Ca 0.00 -0.54 0.16 0.00 -1.57 0.00 0.00 52.86 50.91 3msp s ASN 78 Cb 0.00 -1.60 0.64 0.00 -0.02 0.00 0.00 41.25 40.27 3msp s ASN 78 CO 0.00 -0.01 1.55 0.00 -2.57 0.00 0.00 177.10 176.07 3msp n ALA 79 N 4.70 3.30 -0.09 0.60 0.00 -1.26 -4.13 120.51 123.63 3msp n ALA 79 Ca -0.20 -2.11 -0.11 0.00 0.00 0.00 0.00 53.44 51.03 3msp n ALA 79 Cb 0.50 -0.87 -0.15 0.00 0.00 0.00 0.00 19.45 18.93 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 0.01 1.48 -2.67 0.00 0.00 -1.26 -4.61 120.51 113.46 3msp n ALA 80 Ca 0.24 -1.22 -0.08 0.00 0.00 0.00 0.00 53.44 52.38 3msp n ALA 80 Cb 0.99 -0.28 0.04 0.00 0.00 0.00 0.00 19.45 20.19 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 -2.85 1.34 -3.82 0.00 -2.24 -1.26 -5.07 114.28 100.38 3msp n THR 81 Ca -0.32 -3.23 -0.12 0.00 -2.27 0.00 0.00 64.05 58.11 3msp n THR 81 Cb 1.13 0.66 -0.13 0.00 -2.10 0.00 0.00 70.33 69.89 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 -3.50 0.18 0.52 -0.78 0.41 -1.26 -5.10 118.70 109.17 3msp s GLU 82 Ca 0.31 0.22 -0.21 0.00 -0.41 0.00 0.00 54.97 54.87 3msp s GLU 82 Cb 0.39 0.08 -0.07 0.00 -1.78 0.00 0.00 34.13 32.75 3msp s GLU 82 CO -0.01 -0.02 1.05 -0.25 -0.49 0.00 0.00 175.26 175.53 3msp n ASP 83 N 3.02 1.30 -1.40 -0.19 9.92 -1.26 -4.88 116.55 123.06 3msp n ASP 83 Ca -0.13 0.93 0.01 0.00 -0.53 0.00 0.00 54.79 55.08 3msp n ASP 83 Cb 0.59 -1.41 0.09 0.00 -0.64 0.00 0.00 41.12 39.75 3msp n ASP 83 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3msp n LEU 84 N -0.24 2.08 -1.22 0.64 4.77 -1.26 -4.75 117.00 117.01 3msp n LEU 84 Ca 0.11 -3.08 0.02 0.00 -0.03 0.00 0.00 56.01 53.03 3msp n LEU 84 Cb 0.44 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3msp n LEU 84 CO 0.53 1.05 0.14 0.59 -1.33 0.00 0.00 177.39 178.37 3msp n ASN 85 N -0.33 0.53 0.00 -1.43 4.13 -1.26 -4.82 115.26 112.08 3msp n ASN 85 Ca 0.15 -1.97 0.00 0.00 1.68 0.00 0.00 54.58 54.44 3msp n ASN 85 Cb 0.93 -0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.97 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 0.33 1.00 -4.59 6.41 3.02 -1.26 -5.02 115.26 115.15 3msp n ASN 86 Ca 0.00 -1.38 -0.38 0.00 -0.03 0.00 0.00 54.58 52.79 3msp n ASN 86 Cb 0.99 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 40.05 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 -0.38 6.01 -0.15 6.41 1.11 -1.26 -4.89 116.67 123.52 3msp s ASP 87 Ca 0.00 -0.01 -0.09 0.00 0.18 0.00 0.00 52.55 52.63 3msp s ASP 87 Cb 0.00 -2.12 0.05 0.00 1.07 0.00 0.00 42.92 41.92 3msp s ASP 87 CO 0.00 -0.05 0.38 0.00 1.18 0.00 0.00 175.17 176.68 3msp s ARG 88 N 1.76 0.36 0.57 8.23 1.70 -1.26 -1.98 118.95 128.33 3msp s ARG 88 Ca 0.07 0.71 -0.07 0.00 -0.47 0.00 0.00 55.73 55.97 3msp s ARG 88 Cb -0.16 -0.01 -0.02 0.00 -0.57 0.00 0.00 34.95 34.19 3msp s ARG 88 CO 0.11 -0.15 0.91 0.42 -1.08 0.00 0.00 175.30 175.51 3msp s ILE 89 N 1.23 4.31 -0.01 4.99 1.01 -0.82 -3.22 121.20 128.70 3msp s ILE 89 Ca -0.08 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.88 3msp s ILE 89 Cb -0.08 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.70 3msp s ILE 89 CO -0.10 -0.77 -0.01 -0.89 0.00 0.00 0.00 174.94 173.17 3msp s THR 90 N -2.98 0.12 0.08 2.92 2.01 0.16 -1.91 115.64 116.04 3msp s THR 90 Ca 0.52 -0.02 0.10 0.00 0.31 0.00 0.00 61.69 62.60 3msp s THR 90 Cb -0.11 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 3msp s THR 90 CO 0.48 0.06 -0.26 -0.63 -0.69 0.00 0.00 174.62 173.58 3msp s ILE 91 N 0.24 2.14 -0.22 1.82 1.01 -0.66 -1.73 121.20 123.80 3msp s ILE 91 Ca -0.02 -1.54 -0.04 0.00 0.00 0.00 0.00 60.65 59.06 3msp s ILE 91 Cb -0.04 -1.86 0.11 0.00 0.01 0.00 0.00 42.46 40.68 3msp s ILE 91 CO -0.01 0.22 0.33 -1.61 0.00 0.00 0.00 174.94 173.88 3msp s GLU 92 N -1.60 0.29 -0.03 2.79 2.02 -0.76 -2.04 118.70 119.37 3msp s GLU 92 Ca 0.12 0.50 0.06 0.00 0.02 0.00 0.00 54.97 55.67 3msp s GLU 92 Cb -0.10 -0.58 -0.01 0.00 0.10 0.00 0.00 34.13 33.53 3msp s GLU 92 CO 0.04 -0.59 -0.21 1.67 0.02 0.00 0.00 175.26 176.19 3msp s TRP 93 N 2.48 1.92 -0.02 1.61 -2.14 -0.73 -0.57 118.94 121.48 3msp s TRP 93 Ca 0.09 -0.43 0.00 0.00 2.66 0.00 0.00 56.10 58.43 3msp s TRP 93 Cb -0.15 -1.25 0.03 0.00 -3.10 0.00 0.00 33.47 29.00 3msp s TRP 93 CO -0.14 -0.08 0.02 -0.08 -2.66 0.00 0.00 176.95 174.01 3msp s THR 94 N -0.35 -0.00 0.01 0.66 -1.32 -0.96 -2.44 115.64 111.24 3msp s THR 94 Ca 0.04 0.18 -0.35 0.00 -1.21 0.00 0.00 61.69 60.35 3msp s THR 94 Cb -0.09 -0.12 -0.13 0.00 -1.51 0.00 0.00 72.50 70.64 3msp s THR 94 CO 0.00 0.10 1.70 -0.46 -2.21 0.00 0.00 174.62 173.75 3msp n ASN 95 N 4.13 3.06 -4.77 8.08 0.23 -1.26 -1.29 115.26 123.44 3msp n ASN 95 Ca -0.27 1.04 -0.38 0.00 -0.53 0.00 0.00 54.58 54.43 3msp n ASN 95 Cb 0.50 -1.36 -0.00 0.00 -2.08 0.00 0.00 39.78 36.84 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 2.42 2.78 1.00 5.53 -4.23 -0.77 -4.89 115.64 117.49 3msp s THR 96 Ca 0.87 0.64 -0.16 0.00 -1.18 0.00 0.00 61.69 61.86 3msp s THR 96 Cb -0.74 -3.35 0.01 0.00 1.34 0.00 0.00 72.50 69.76 3msp s THR 96 CO 0.47 0.04 0.01 -2.65 -0.54 0.00 0.00 174.62 171.95 3msp n PRO 97 N -0.26 -0.57 -1.66 3.99 -0.02 -1.26 -4.71 135.00 130.51 3msp n PRO 97 Ca 0.06 -0.14 -0.56 0.00 -2.02 0.00 0.00 63.50 60.84 3msp n PRO 97 Cb 0.46 -1.64 -0.07 0.00 -0.02 0.00 0.00 33.50 32.22 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 -0.42 2.36 -3.89 2.55 8.00 -1.26 -0.86 116.55 123.03 3msp n ASP 98 Ca 0.03 0.97 -0.27 0.00 0.71 0.00 0.00 54.79 56.24 3msp n ASP 98 Cb 0.57 -1.16 0.01 0.00 -0.02 0.00 0.00 41.12 40.52 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 4.65 -0.35 3.75 0.44 0.00 -1.26 -4.91 105.19 107.51 3msp n GLY 99 Ca 0.29 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.60 2.45 1.03 4.61 0.00 -0.04 -4.97 121.76 121.24 3msp s ALA 100 Ca 0.27 0.96 -0.16 0.00 0.00 0.00 0.00 51.96 53.03 3msp s ALA 100 Cb -0.14 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.58 3msp s ALA 100 CO 0.85 -1.32 0.10 0.00 0.00 0.00 0.00 175.76 175.39 3msp n ALA 101 N -1.87 -3.53 -2.53 0.00 0.00 -1.26 -4.85 120.51 106.48 3msp n ALA 101 Ca 0.13 -0.92 -0.43 0.00 0.00 0.00 0.00 53.44 52.22 3msp n ALA 101 Cb 0.50 -1.61 0.01 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.46 3.76 0.00 0.00 4.01 -1.26 -4.86 118.16 118.35 3msp n LYS 102 Ca 0.03 -3.76 0.00 0.00 -0.51 0.00 0.00 58.31 54.08 3msp n LYS 102 Cb 0.58 -2.85 0.00 0.00 -0.51 0.00 0.00 35.03 32.25 3msp n LYS 102 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 3msp n GLN 103 N 3.53 0.00 -1.81 1.97 6.02 -1.26 -5.14 117.38 120.68 3msp n GLN 103 Ca 0.37 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.94 3msp n GLN 103 Cb 0.36 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.60 3msp n GLN 103 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3msp s PHE 104 N -1.25 2.82 0.21 1.08 5.36 -1.26 -5.01 117.98 119.92 3msp s PHE 104 Ca 0.00 0.77 0.11 0.00 -0.96 0.00 0.00 56.93 56.85 3msp s PHE 104 Cb 0.00 -4.03 -0.04 0.00 -0.34 0.00 0.00 43.02 38.60 3msp s PHE 104 CO 0.00 -3.52 -0.22 0.50 -1.46 0.00 0.00 175.22 170.52 3msp s ARG 105 N -0.26 1.61 0.00 10.12 6.06 -1.26 -5.03 118.95 130.18 3msp s ARG 105 Ca 0.64 -1.54 0.25 0.00 -2.50 0.00 0.00 55.73 52.58 3msp s ARG 105 Cb -0.47 -1.87 0.42 0.00 0.06 0.00 0.00 34.95 33.09 3msp s ARG 105 CO 0.45 0.39 1.35 -2.13 -2.50 0.00 0.00 175.30 172.86 3msp n ARG 106 N 0.09 0.62 0.12 5.12 0.63 -1.26 -3.99 116.66 117.98 3msp n ARG 106 Ca -0.11 -0.42 0.12 0.00 -0.92 0.00 0.00 57.85 56.52 3msp n ARG 106 Cb 0.57 -1.49 0.15 0.00 0.45 0.00 0.00 32.46 32.14 3msp n ARG 106 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3msp h GLU 107 N 1.03 0.00 0.00 -0.14 5.08 -1.96 -3.31 114.58 115.29 3msp h GLU 107 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3msp h GLU 107 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3msp h GLU 107 CO 0.00 0.00 0.00 -1.49 -1.00 0.00 0.00 179.01 176.52 3msp h TRP 108 N 0.00 0.00 -0.48 4.33 6.55 -1.93 -1.86 115.95 122.56 3msp h TRP 108 Ca 0.00 0.00 -0.35 0.00 0.95 0.00 0.00 58.89 59.49 3msp h TRP 108 Cb 0.88 0.00 -0.35 0.00 -0.86 0.00 0.00 29.16 28.83 3msp h TRP 108 CO 0.00 0.00 -0.87 1.19 -1.05 0.00 0.00 178.44 177.71 3msp n PHE 109 N -2.47 1.69 -2.72 0.49 3.01 -1.24 -4.76 117.46 111.45 3msp n PHE 109 Ca -0.02 -1.94 -0.03 0.00 1.01 0.00 0.00 57.45 56.47 3msp n PHE 109 Cb 0.05 -0.28 0.09 0.00 -0.01 0.00 0.00 39.48 39.33 3msp n PHE 109 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3msp n GLN 110 N -0.65 1.41 0.00 -1.08 6.02 -0.70 -5.09 117.38 117.30 3msp n GLN 110 Ca 0.27 -2.27 0.00 0.00 -0.01 0.00 0.00 57.00 54.99 3msp n GLN 110 Cb 0.90 -0.48 0.00 0.00 1.02 0.00 0.00 30.24 31.68 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 -0.90 -0.25 3.94 1.08 0.00 -1.26 -5.00 105.19 102.80 3msp n GLY 111 Ca -0.04 0.57 -0.26 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.00 6.35 0.00 1.61 1.11 -1.26 -5.03 116.67 115.45 3msp s ASP 112 Ca 0.00 0.29 0.00 0.00 0.18 0.00 0.00 52.55 53.02 3msp s ASP 112 Cb 0.00 -1.96 0.00 0.00 1.07 0.00 0.00 42.92 42.03 3msp s ASP 112 CO 0.00 -0.05 0.00 0.61 1.18 0.00 0.00 175.17 176.91 3msp n GLY 113 N -0.88 3.56 3.72 0.21 0.00 -1.26 -4.88 105.19 105.65 3msp n GLY 113 Ca -0.06 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 -5.39 4.52 -0.19 1.61 -1.94 -1.26 -5.03 119.30 111.63 3msp s MET 114 Ca 0.00 1.59 0.01 0.00 -1.71 0.00 0.00 55.69 55.58 3msp s MET 114 Cb 0.00 -3.39 0.03 0.00 2.01 0.00 0.00 34.83 33.48 3msp s MET 114 CO 0.00 -0.10 -0.15 0.08 -0.01 0.00 0.00 175.02 174.84 3msp s VAL 115 N 0.84 1.84 0.01 -6.03 1.01 -1.26 -4.26 120.40 112.55 3msp s VAL 115 Ca 0.54 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 3msp s VAL 115 Cb -0.25 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 3msp s VAL 115 CO 0.29 0.34 0.18 -0.13 0.00 0.00 0.00 175.10 175.78 3msp s ARG 116 N 1.34 3.41 0.03 2.72 1.81 -1.02 -4.97 118.95 122.27 3msp s ARG 116 Ca 0.01 -0.37 -0.06 0.00 -1.72 0.00 0.00 55.73 53.60 3msp s ARG 116 Cb -0.15 -3.06 -0.01 0.00 -0.45 0.00 0.00 34.95 31.28 3msp s ARG 116 CO -0.10 0.65 0.10 -0.98 -0.68 0.00 0.00 175.30 174.30 3msp s ARG 117 N -2.09 0.57 -0.12 3.54 1.70 -1.26 -1.78 118.95 119.51 3msp s ARG 117 Ca 0.29 -0.68 -0.07 0.00 -0.47 0.00 0.00 55.73 54.80 3msp s ARG 117 Cb -0.13 0.22 0.05 0.00 -0.57 0.00 0.00 34.95 34.52 3msp s ARG 117 CO 0.21 -0.14 0.28 0.15 -1.08 0.00 0.00 175.30 174.72 3msp s LYS 118 N -2.36 0.26 -0.15 3.89 1.02 -0.87 -4.97 119.74 116.57 3msp s LYS 118 Ca -0.07 0.56 -0.06 0.00 0.02 0.00 0.00 55.97 56.42 3msp s LYS 118 Cb -0.03 -0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.19 3msp s LYS 118 CO -0.03 -0.14 0.05 -0.80 -0.92 0.00 0.00 175.35 173.51 3msp s ASN 119 N 1.09 5.60 -0.10 2.83 0.02 -1.26 -1.65 114.94 121.46 3msp s ASN 119 Ca -0.08 0.15 -0.02 0.00 -1.02 0.00 0.00 52.86 51.89 3msp s ASN 119 Cb -0.08 -1.84 -0.03 0.00 0.02 0.00 0.00 41.25 39.31 3msp s ASN 119 CO -0.08 0.26 -0.02 -0.76 0.02 0.00 0.00 177.10 176.53 3msp s LEU 120 N -0.18 3.46 0.23 0.60 1.02 -0.80 -4.96 118.68 118.05 3msp s LEU 120 Ca 0.07 0.06 -0.30 0.00 0.02 0.00 0.00 54.13 53.98 3msp s LEU 120 Cb -0.12 -1.79 -0.09 0.00 0.02 0.00 0.00 46.19 44.21 3msp s LEU 120 CO 0.01 0.33 1.02 -2.16 0.02 0.00 0.00 176.35 175.57 3msp s PRO 121 N -0.59 4.73 0.00 1.29 0.04 -1.26 -1.94 135.00 137.28 3msp s PRO 121 Ca 0.09 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.74 3msp s PRO 121 Cb -0.12 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 3msp s PRO 121 CO 0.02 0.32 0.15 0.42 0.04 0.00 0.00 177.00 177.95 3msp s ILE 122 N -0.89 5.18 0.19 0.56 -1.09 -0.84 -2.57 121.20 121.74 3msp s ILE 122 Ca 0.44 -0.29 0.03 0.00 -2.23 0.00 0.00 60.65 58.60 3msp s ILE 122 Cb -0.28 -3.43 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 3msp s ILE 122 CO 0.35 0.30 -0.03 -1.61 -1.23 0.00 0.00 174.94 172.73 3msp s GLU 123 N -1.97 1.18 -0.07 2.79 2.02 0.96 -4.83 118.70 118.78 3msp s GLU 123 Ca 0.27 -1.56 0.03 0.00 0.02 0.00 0.00 54.97 53.73 3msp s GLU 123 Cb -0.12 -0.48 0.01 0.00 0.10 0.00 0.00 34.13 33.63 3msp s GLU 123 CO 0.19 -0.07 -0.16 0.71 0.02 0.00 0.00 175.26 175.95 3msp s TYR 124 N -3.49 1.73 -0.22 1.61 1.51 -1.26 -1.03 117.35 116.20 3msp s TYR 124 Ca 0.24 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 3msp s TYR 124 Cb 0.05 -1.21 0.04 0.00 -0.11 0.00 0.00 41.96 40.73 3msp s TYR 124 CO 0.05 -0.27 -0.15 1.21 -1.11 0.00 0.00 175.55 175.27 3msp s ASN 125 N 0.43 3.75 0.00 2.29 2.47 -1.03 -4.93 114.94 117.92 3msp s ASN 125 Ca -0.12 -1.01 0.26 0.00 0.42 0.00 0.00 52.86 52.41 3msp s ASN 125 Cb -0.15 -1.50 0.64 0.00 -1.45 0.00 0.00 41.25 38.78 3msp s ASN 125 CO 0.04 -0.09 1.51 0.18 -3.72 0.00 0.00 177.10 175.02