#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 0.37 -0.35 0.00 -2.07 -1.26 -4.97 119.66 111.38 3msp s GLN 2 Ca 0.00 -0.03 -0.06 0.00 -1.82 0.00 0.00 55.36 53.45 3msp s GLN 2 Cb 0.00 -0.45 0.01 0.00 -1.09 0.00 0.00 33.01 31.47 3msp s GLN 2 CO 0.00 -0.05 0.23 0.43 -1.32 0.00 0.00 175.29 174.58 3msp n SER 3 N 3.69 -7.97 -3.85 12.60 7.64 -1.26 -5.06 113.62 119.42 3msp n SER 3 Ca -0.22 1.09 -0.12 0.00 1.01 0.00 0.00 58.87 60.63 3msp n SER 3 Cb 0.53 -5.34 -0.13 0.00 -1.01 0.00 0.00 64.21 58.27 3msp n SER 3 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3msp s VAL 4 N -1.99 0.01 0.35 0.44 0.11 -1.26 -5.14 120.40 112.91 3msp s VAL 4 Ca 0.09 -0.05 -0.26 0.00 -2.93 0.00 0.00 61.98 58.84 3msp s VAL 4 Cb -0.03 -0.14 -0.13 0.00 -1.53 0.00 0.00 36.38 34.56 3msp s VAL 4 CO 0.77 -0.03 0.90 -2.65 -3.33 0.00 0.00 175.10 170.76 3msp n PRO 5 N 2.94 1.14 -1.06 1.54 -0.02 -1.26 -4.90 135.00 133.37 3msp n PRO 5 Ca -0.13 0.40 -0.35 0.00 -2.02 0.00 0.00 63.50 61.41 3msp n PRO 5 Cb 0.59 -1.80 0.10 0.00 -0.02 0.00 0.00 33.50 32.37 3msp n PRO 5 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3msp n PRO 6 N 0.54 0.06 -1.95 0.52 -0.02 -1.26 -4.86 135.00 128.03 3msp n PRO 6 Ca 0.10 0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 3msp n PRO 6 Cb 0.35 -1.92 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 3msp n PRO 6 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3msp s GLY 7 N -1.76 1.56 -0.24 -1.23 0.00 -1.26 -4.88 107.32 99.50 3msp s GLY 7 Ca 0.63 1.10 -0.35 0.00 0.00 0.00 0.00 44.72 46.10 3msp s GLY 7 CO 0.61 2.97 2.01 1.22 0.00 0.00 0.00 173.10 179.90 3msp n ASP 8 N 6.29 2.70 -4.74 1.64 9.92 -1.26 -4.38 116.55 126.71 3msp n ASP 8 Ca 0.16 0.70 -0.40 0.00 -0.53 0.00 0.00 54.79 54.72 3msp n ASP 8 Cb 0.42 -1.30 -0.05 0.00 -0.64 0.00 0.00 41.12 39.55 3msp n ASP 8 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3msp s ILE 9 N 5.65 4.04 0.25 0.53 -4.36 -1.26 -3.49 121.20 122.57 3msp s ILE 9 Ca 1.01 1.92 -0.18 0.00 -0.26 0.00 0.00 60.65 63.14 3msp s ILE 9 Cb -0.81 -4.22 -0.08 0.00 1.25 0.00 0.00 42.46 38.60 3msp s ILE 9 CO 0.52 0.40 0.72 0.20 0.24 0.00 0.00 174.94 177.02 3msp s ASN 10 N -0.69 6.95 0.04 4.36 0.01 -0.56 -4.89 114.94 120.17 3msp s ASN 10 Ca 0.44 1.36 0.02 0.00 -0.71 0.00 0.00 52.86 53.98 3msp s ASN 10 Cb -0.27 -2.40 -0.02 0.00 0.41 0.00 0.00 41.25 38.97 3msp s ASN 10 CO 0.33 -0.05 -0.08 0.42 -1.51 0.00 0.00 177.10 176.21 3msp s THR 11 N -1.68 0.57 -0.12 1.60 -4.23 -1.25 -1.74 115.64 108.80 3msp s THR 11 Ca 0.47 -1.07 -0.02 0.00 -1.18 0.00 0.00 61.69 59.89 3msp s THR 11 Cb -0.14 -0.63 0.04 0.00 1.34 0.00 0.00 72.50 73.11 3msp s THR 11 CO 0.20 -0.36 0.02 -1.10 -0.54 0.00 0.00 174.62 172.84 3msp s GLN 12 N -1.54 0.60 0.94 3.99 -0.21 -0.24 -2.73 119.66 120.47 3msp s GLN 12 Ca -0.09 -0.07 -0.11 0.00 0.02 0.00 0.00 55.36 55.11 3msp s GLN 12 Cb -0.10 -1.38 0.15 0.00 1.00 0.00 0.00 33.01 32.69 3msp s GLN 12 CO 0.00 -0.43 1.09 -1.25 -2.12 0.00 0.00 175.29 172.59 3msp s PRO 13 N 1.94 0.89 0.10 2.91 0.04 -1.26 -2.15 135.00 137.48 3msp s PRO 13 Ca 0.03 1.07 -0.24 0.00 0.04 0.00 0.00 61.00 61.90 3msp s PRO 13 Cb -0.14 -1.75 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 3msp s PRO 13 CO -0.06 -2.56 1.41 1.03 0.04 0.00 0.00 177.00 176.85 3msp h SER 14 N -1.80 -1.45 0.00 6.66 0.87 -1.93 -3.41 113.55 112.49 3msp h SER 14 Ca -0.49 0.20 -0.11 0.00 -1.23 0.00 0.00 61.79 60.16 3msp h SER 14 Cb 1.28 0.60 -0.10 0.00 -0.44 0.00 0.00 62.40 63.75 3msp h SER 14 CO 0.50 -0.27 0.05 1.67 -0.53 0.00 0.00 176.83 178.24 3msp n GLN 15 N -4.70 0.42 -3.21 2.24 7.27 -1.26 -4.65 117.38 113.48 3msp n GLN 15 Ca -0.02 -0.88 -0.01 0.00 0.07 0.00 0.00 57.00 56.17 3msp n GLN 15 Cb 0.24 0.01 -0.03 0.00 2.41 0.00 0.00 30.24 32.87 3msp n GLN 15 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3msp s LYS 16 N 0.07 0.50 0.03 3.69 -0.14 -1.26 -4.28 119.74 118.34 3msp s LYS 16 Ca 0.07 0.61 0.04 0.00 -1.36 0.00 0.00 55.97 55.33 3msp s LYS 16 Cb 0.14 0.12 -0.02 0.00 -1.68 0.00 0.00 37.83 36.39 3msp s LYS 16 CO -0.03 -0.84 -0.12 -1.50 -0.76 0.00 0.00 175.35 172.10 3msp s ILE 17 N 2.74 0.91 -0.18 2.17 2.07 -1.00 -4.85 121.20 123.05 3msp s ILE 17 Ca 0.14 -0.88 -0.07 0.00 -1.41 0.00 0.00 60.65 58.44 3msp s ILE 17 Cb -0.13 -0.84 0.08 0.00 0.13 0.00 0.00 42.46 41.70 3msp s ILE 17 CO -0.24 -0.03 0.37 0.54 -1.91 0.00 0.00 174.94 173.68 3msp s VAL 18 N -0.80 -0.52 -0.29 4.00 0.11 -1.26 -2.20 120.40 119.44 3msp s VAL 18 Ca -0.00 0.19 -0.29 0.00 -2.93 0.00 0.00 61.98 58.95 3msp s VAL 18 Cb -0.07 -0.60 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 3msp s VAL 18 CO 0.01 0.08 1.48 -0.36 -3.33 0.00 0.00 175.10 172.98 3msp s PHE 19 N 2.42 2.35 0.08 1.54 0.40 0.20 -4.83 117.98 120.14 3msp s PHE 19 Ca -0.02 0.69 -0.28 0.00 -0.60 0.00 0.00 56.93 56.72 3msp s PHE 19 Cb -0.12 -4.01 -0.06 0.00 0.51 0.00 0.00 43.02 39.34 3msp s PHE 19 CO -0.12 -2.34 0.88 -0.80 0.70 0.00 0.00 175.22 173.55 3msp s ASN 20 N 3.77 7.39 1.12 1.36 0.01 -1.26 -1.90 114.94 125.42 3msp s ASN 20 Ca 0.65 1.66 -0.13 0.00 -0.71 0.00 0.00 52.86 54.32 3msp s ASN 20 Cb -0.20 -2.54 0.25 0.00 0.41 0.00 0.00 41.25 39.17 3msp s ASN 20 CO 0.28 -0.03 1.06 0.00 -1.51 0.00 0.00 177.10 176.89 3msp s ALA 21 N -0.03 0.13 0.83 0.60 0.00 -0.90 -4.76 121.76 117.63 3msp s ALA 21 Ca 0.44 -0.34 -0.11 0.00 0.00 0.00 0.00 51.96 51.94 3msp s ALA 21 Cb -0.22 -3.15 0.09 0.00 0.00 0.00 0.00 23.12 19.84 3msp s ALA 21 CO 0.27 -3.47 1.10 -1.25 0.00 0.00 0.00 175.76 172.41 3msp s PRO 22 N -4.77 1.78 -0.64 0.00 0.04 -1.26 -5.07 135.00 125.08 3msp s PRO 22 Ca 0.67 0.69 0.01 0.00 0.04 0.00 0.00 61.00 62.41 3msp s PRO 22 Cb -0.21 -1.88 0.40 0.00 0.04 0.00 0.00 34.50 32.85 3msp s PRO 22 CO 0.61 -1.85 1.71 0.66 0.04 0.00 0.00 177.00 178.17 3msp n TYR 23 N -3.59 3.11 0.24 0.56 4.01 -1.26 -4.45 117.16 115.79 3msp n TYR 23 Ca 0.07 -2.65 0.03 0.00 -0.16 0.00 0.00 57.90 55.18 3msp n TYR 23 Cb 0.56 -0.88 -0.00 0.00 -0.31 0.00 0.00 39.34 38.71 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 -0.63 0.90 -4.28 7.72 -0.08 -1.26 -1.74 116.55 117.17 3msp n ASP 24 Ca 0.51 -0.95 -0.27 0.00 -1.51 0.00 0.00 54.79 52.57 3msp n ASP 24 Cb 0.52 0.48 -0.14 0.00 2.34 0.00 0.00 41.12 44.31 3msp n ASP 24 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3msp s ASP 25 N -0.97 2.70 -0.02 1.67 2.15 -1.26 -4.88 116.67 116.06 3msp s ASP 25 Ca 0.05 -0.54 -0.30 0.00 0.43 0.00 0.00 52.55 52.19 3msp s ASP 25 Cb 0.04 -0.24 -0.04 0.00 -0.30 0.00 0.00 42.92 42.39 3msp s ASP 25 CO 0.14 0.20 1.20 -0.54 -0.17 0.00 0.00 175.17 176.00 3msp s LYS 26 N -1.16 4.38 0.16 4.34 3.01 -1.26 -4.61 119.74 124.60 3msp s LYS 26 Ca 0.09 1.71 0.08 0.00 -1.01 0.00 0.00 55.97 56.84 3msp s LYS 26 Cb -0.09 -3.49 -0.04 0.00 -1.01 0.00 0.00 37.83 33.19 3msp s LYS 26 CO 0.02 -0.39 -0.17 -3.38 0.51 0.00 0.00 175.35 171.94 3msp s HIS 27 N 1.85 1.74 -0.14 3.18 -3.43 -1.25 -5.06 115.29 112.19 3msp s HIS 27 Ca 0.57 -0.49 -0.01 0.00 -0.80 0.00 0.00 55.06 54.33 3msp s HIS 27 Cb -0.26 -0.87 0.04 0.00 -1.43 0.00 0.00 32.58 30.05 3msp s HIS 27 CO 0.25 0.30 -0.02 0.99 -2.00 0.00 0.00 174.74 174.26 3msp s THR 28 N -2.12 0.72 -0.32 -5.38 2.01 -1.26 -2.80 115.64 106.49 3msp s THR 28 Ca 0.15 -0.33 -0.11 0.00 0.31 0.00 0.00 61.69 61.71 3msp s THR 28 Cb -0.05 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 3msp s THR 28 CO 0.06 0.12 0.18 -0.31 -0.69 0.00 0.00 174.62 173.98 3msp s TYR 29 N 1.81 3.20 -0.10 4.92 1.51 -1.17 -4.91 117.35 122.60 3msp s TYR 29 Ca 0.02 -0.37 -0.17 0.00 -1.01 0.00 0.00 57.07 55.54 3msp s TYR 29 Cb -0.14 -2.40 -0.05 0.00 -0.11 0.00 0.00 41.96 39.26 3msp s TYR 29 CO -0.07 -0.39 0.45 -1.01 -1.11 0.00 0.00 175.55 173.42 3msp s HIS 30 N 1.67 3.55 -0.03 2.71 3.76 -1.26 -1.26 115.29 124.42 3msp s HIS 30 Ca 0.05 0.88 0.00 0.00 -0.15 0.00 0.00 55.06 55.85 3msp s HIS 30 Cb -0.17 -2.49 -0.03 0.00 1.11 0.00 0.00 32.58 31.00 3msp s HIS 30 CO 0.08 0.25 0.00 0.42 -0.85 0.00 0.00 174.74 174.65 3msp s ILE 31 N 0.32 4.21 -0.26 0.60 -1.09 -0.56 -4.83 121.20 119.58 3msp s ILE 31 Ca 0.25 -0.49 -0.08 0.00 -2.23 0.00 0.00 60.65 58.09 3msp s ILE 31 Cb -0.15 -2.84 -0.03 0.00 -1.58 0.00 0.00 42.46 37.85 3msp s ILE 31 CO 0.10 0.45 0.10 -0.75 -1.23 0.00 0.00 174.94 173.61 3msp s LYS 32 N -1.35 3.72 0.17 2.79 2.20 -0.91 -2.05 119.74 124.31 3msp s LYS 32 Ca 0.18 -0.44 0.08 0.00 -0.36 0.00 0.00 55.97 55.42 3msp s LYS 32 Cb -0.11 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 3msp s LYS 32 CO 0.08 -0.19 -0.06 0.42 -0.36 0.00 0.00 175.35 175.23 3msp s ILE 33 N 1.65 3.41 0.07 5.43 1.01 -1.06 -1.07 121.20 130.63 3msp s ILE 33 Ca 0.06 -1.51 -0.21 0.00 0.00 0.00 0.00 60.65 59.00 3msp s ILE 33 Cb -0.15 -2.68 0.05 0.00 0.01 0.00 0.00 42.46 39.68 3msp s ILE 33 CO 0.05 -0.08 0.49 -0.89 0.00 0.00 0.00 174.94 174.52 3msp s THR 34 N -1.64 0.04 -0.39 2.92 2.01 -0.71 -1.85 115.64 116.02 3msp s THR 34 Ca 0.25 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 61.81 3msp s THR 34 Cb -0.09 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.44 3msp s THR 34 CO 0.16 -0.17 0.25 0.21 -0.69 0.00 0.00 174.62 174.38 3msp s ASN 35 N -2.15 5.91 -0.12 3.53 3.04 -0.78 -1.50 114.94 122.87 3msp s ASN 35 Ca -0.04 -0.97 0.08 0.00 0.04 0.00 0.00 52.86 51.97 3msp s ASN 35 Cb -0.00 -2.08 0.46 0.00 -1.54 0.00 0.00 41.25 38.08 3msp s ASN 35 CO -0.04 -0.42 1.21 0.00 -3.04 0.00 0.00 177.10 174.81 3msp n ALA 36 N 5.07 3.22 -2.18 1.71 0.00 -1.23 -1.07 120.51 126.03 3msp n ALA 36 Ca -0.11 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.28 3msp n ALA 36 Cb 0.46 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.42 2.50 0.57 0.00 0.00 -1.26 -4.63 105.19 102.78 3msp n GLY 37 Ca 0.15 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3msp n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3msp n GLY 38 N 5.00 0.61 3.38 -0.02 0.00 -1.26 -4.42 105.19 108.48 3msp n GLY 38 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 3msp n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3msp s ARG 39 N 0.00 1.20 0.69 1.61 3.00 -1.26 -4.81 118.95 119.39 3msp s ARG 39 Ca 0.02 -0.55 -0.16 0.00 0.00 0.00 0.00 55.73 55.04 3msp s ARG 39 Cb 0.02 0.54 -0.01 0.00 0.00 0.00 0.00 34.95 35.51 3msp s ARG 39 CO -0.01 -0.50 0.94 0.54 0.00 0.00 0.00 175.30 176.27 3msp n ARG 40 N -0.30 0.59 -3.58 3.54 1.74 -1.26 -4.31 116.66 113.08 3msp n ARG 40 Ca -0.17 0.25 -0.12 0.00 -0.77 0.00 0.00 57.85 57.04 3msp n ARG 40 Cb 0.64 -2.19 -0.11 0.00 -1.02 0.00 0.00 32.46 29.78 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 -1.74 -0.49 -0.26 0.55 -4.36 -0.64 -2.18 121.20 112.08 3msp s ILE 41 Ca 0.74 0.13 -0.29 0.00 -0.26 0.00 0.00 60.65 60.97 3msp s ILE 41 Cb -0.36 -0.60 -0.01 0.00 1.25 0.00 0.00 42.46 42.74 3msp s ILE 41 CO 0.50 0.01 1.42 -0.83 0.24 0.00 0.00 174.94 176.28 3msp s GLY 42 N 2.48 1.35 0.26 6.27 0.00 -0.58 -2.31 107.32 114.78 3msp s GLY 42 Ca 0.04 0.28 0.11 0.00 0.00 0.00 0.00 44.72 45.15 3msp s GLY 42 CO -0.11 2.74 -0.15 0.66 0.00 0.00 0.00 173.10 176.23 3msp s TRP 43 N 4.59 2.41 0.02 1.90 1.48 -0.90 -2.08 118.94 126.36 3msp s TRP 43 Ca 0.62 -0.30 -0.20 0.00 -1.06 0.00 0.00 56.10 55.16 3msp s TRP 43 Cb -0.20 -1.08 0.04 0.00 -1.16 0.00 0.00 33.47 31.07 3msp s TRP 43 CO 0.25 0.66 0.44 0.00 -4.06 0.00 0.00 176.95 174.23 3msp s ALA 44 N -2.30 -1.09 0.15 2.67 0.00 -0.60 -2.32 121.76 118.25 3msp s ALA 44 Ca 0.29 0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.77 3msp s ALA 44 Cb -0.06 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3msp s ALA 44 CO 0.15 -0.40 0.17 0.42 0.00 0.00 0.00 175.76 176.10 3msp s ILE 45 N -2.03 4.73 -0.22 0.00 -1.09 -1.02 -2.29 121.20 119.27 3msp s ILE 45 Ca -0.08 -0.93 -0.14 0.00 -2.23 0.00 0.00 60.65 57.27 3msp s ILE 45 Cb -0.02 -3.41 0.07 0.00 -1.58 0.00 0.00 42.46 37.52 3msp s ILE 45 CO 0.01 -0.07 0.55 -0.54 -1.23 0.00 0.00 174.94 173.66 3msp s LYS 46 N -3.05 0.58 0.16 2.79 1.02 -0.12 -4.94 119.74 116.18 3msp s LYS 46 Ca 0.32 0.95 0.05 0.00 0.02 0.00 0.00 55.97 57.31 3msp s LYS 46 Cb -0.11 0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 37.28 3msp s LYS 46 CO 0.25 -0.13 -0.11 -0.08 -0.92 0.00 0.00 175.35 174.35 3msp s THR 47 N 1.20 1.31 0.10 2.17 -1.32 -1.26 0.56 115.64 118.40 3msp s THR 47 Ca -0.07 -2.10 -0.29 0.00 -1.21 0.00 0.00 61.69 58.02 3msp s THR 47 Cb -0.06 -1.91 -0.11 0.00 -1.51 0.00 0.00 72.50 68.91 3msp s THR 47 CO -0.12 -0.70 1.63 0.71 -2.21 0.00 0.00 174.62 173.94 3msp h THR 48 N 2.71 0.39 -3.62 5.08 1.35 -1.95 -3.38 112.91 113.49 3msp h THR 48 Ca -0.37 0.00 -0.68 0.00 -0.55 0.00 0.00 66.41 64.81 3msp h THR 48 Cb 1.20 0.39 -0.27 0.00 -1.73 0.00 0.00 68.15 67.74 3msp h THR 48 CO 0.63 0.00 -0.61 0.20 -0.25 0.00 0.00 175.52 175.49 3msp s ASN 49 N -4.73 5.22 -0.19 5.36 0.01 -1.26 -4.96 114.94 114.39 3msp s ASN 49 Ca -0.16 -0.85 0.08 0.00 -0.71 0.00 0.00 52.86 51.22 3msp s ASN 49 Cb 0.07 -1.89 0.54 0.00 0.41 0.00 0.00 41.25 40.38 3msp s ASN 49 CO 0.64 -0.24 1.41 0.23 -1.51 0.00 0.00 177.10 177.63 3msp n MET 50 N 4.86 3.31 -0.00 -0.60 2.81 -1.26 -3.42 117.12 122.81 3msp n MET 50 Ca -0.14 -2.14 -0.04 0.00 -1.81 0.00 0.00 57.70 53.58 3msp n MET 50 Cb 0.47 -1.98 -0.01 0.00 -0.71 0.00 0.00 33.22 30.98 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 0.21 0.18 0.08 0.03 1.74 -1.26 -4.75 116.66 112.89 3msp n ARG 51 Ca 0.23 0.07 -0.08 0.00 -0.77 0.00 0.00 57.85 57.31 3msp n ARG 51 Cb 0.98 -0.82 0.05 0.00 -1.02 0.00 0.00 32.46 31.65 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 -0.34 0.25 -5.91 5.56 -0.00 -1.98 -3.44 114.38 108.52 3msp h ARG 52 Ca -0.03 -0.22 -0.62 0.00 -0.50 0.00 0.00 59.98 58.60 3msp h ARG 52 Cb 0.46 0.05 -0.05 0.00 0.00 0.00 0.00 29.97 30.43 3msp h ARG 52 CO -0.02 0.89 -0.41 -0.51 0.00 0.00 0.00 179.97 179.92 3msp s LEU 53 N -7.71 4.36 0.00 3.04 1.43 -1.22 -3.66 118.68 114.92 3msp s LEU 53 Ca -0.04 0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 3msp s LEU 53 Cb 0.11 -2.75 -0.01 0.00 0.03 0.00 0.00 46.19 43.57 3msp s LEU 53 CO 0.82 0.23 0.05 -0.44 0.23 0.00 0.00 176.35 177.23 3msp s SER 54 N -1.89 0.09 0.06 2.29 0.01 -0.59 -4.60 113.70 109.07 3msp s SER 54 Ca 0.29 -0.23 -0.01 0.00 1.31 0.00 0.00 55.95 57.31 3msp s SER 54 Cb -0.13 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 3msp s SER 54 CO 0.18 -0.24 -0.02 0.54 0.41 0.00 0.00 173.24 174.11 3msp s VAL 55 N -1.01 0.21 -0.29 3.43 0.11 -1.26 -0.44 120.40 121.15 3msp s VAL 55 Ca -0.11 -1.82 -0.16 0.00 -2.93 0.00 0.00 61.98 56.95 3msp s VAL 55 Cb -0.07 -1.59 0.17 0.00 -1.53 0.00 0.00 36.38 33.36 3msp s VAL 55 CO 0.00 -0.93 1.08 -0.62 -3.33 0.00 0.00 175.10 171.31 3msp s ASP 56 N -2.94 -0.34 0.44 3.54 -1.08 -0.92 -4.36 116.67 111.02 3msp s ASP 56 Ca 0.09 0.54 -0.23 0.00 -0.52 0.00 0.00 52.55 52.44 3msp s ASP 56 Cb 0.08 1.17 -0.08 0.00 -1.46 0.00 0.00 42.92 42.63 3msp s ASP 56 CO -0.08 -0.08 1.11 -2.16 0.52 0.00 0.00 175.17 174.48 3msp s PRO 57 N 1.33 3.88 0.00 4.34 0.04 -1.26 -1.44 135.00 141.89 3msp s PRO 57 Ca -0.08 1.64 0.29 0.00 0.04 0.00 0.00 61.00 62.89 3msp s PRO 57 Cb -0.03 -2.41 1.69 0.00 0.04 0.00 0.00 34.50 33.79 3msp s PRO 57 CO -0.13 -0.41 2.04 -0.35 0.04 0.00 0.00 177.00 178.19 3msp n PRO 58 N -0.42 0.86 0.00 0.56 -0.04 -1.26 -4.88 135.00 129.82 3msp n PRO 58 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3msp n PRO 58 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.12 2.67 3.71 0.00 0.00 -0.98 -5.00 105.19 105.47 3msp n GLY 60 Ca 0.00 -1.21 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 3msp n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3msp s VAL 61 N -2.00 5.33 -0.24 1.61 1.01 -1.26 -2.11 120.40 122.75 3msp s VAL 61 Ca 0.00 0.41 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 3msp s VAL 61 Cb 0.00 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3msp s VAL 61 CO 0.00 0.38 0.10 -0.76 0.00 0.00 0.00 175.10 174.82 3msp s LEU 62 N 0.60 3.70 0.85 3.92 1.43 -0.98 -4.90 118.68 123.30 3msp s LEU 62 Ca 0.13 -0.07 -0.13 0.00 -1.03 0.00 0.00 54.13 53.03 3msp s LEU 62 Cb -0.13 -1.98 0.11 0.00 0.03 0.00 0.00 46.19 44.22 3msp s LEU 62 CO 0.02 0.03 1.20 -1.81 0.23 0.00 0.00 176.35 176.03 3msp s ASP 63 N 1.27 4.18 -0.13 2.29 1.11 -1.26 -1.61 116.67 122.51 3msp s ASP 63 Ca 0.05 0.69 -0.29 0.00 0.18 0.00 0.00 52.55 53.19 3msp s ASP 63 Cb -0.14 -1.10 -0.06 0.00 1.07 0.00 0.00 42.92 42.68 3msp s ASP 63 CO 0.04 -2.10 2.03 -2.84 1.18 0.00 0.00 175.17 173.48 3msp s PRO 64 N -5.62 3.61 -0.89 8.23 0.02 -1.26 -1.71 135.00 137.38 3msp s PRO 64 Ca 0.64 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.85 3msp s PRO 64 Cb -0.10 -4.24 0.00 0.00 0.02 0.00 0.00 34.50 30.18 3msp s PRO 64 CO 0.50 -1.55 0.00 1.17 -0.33 0.00 0.00 177.00 176.79 3msp n LYS 65 N 8.13 -0.78 -3.73 5.54 4.81 -0.23 -4.99 118.16 126.90 3msp n LYS 65 Ca 0.24 0.54 -0.32 0.00 -0.87 0.00 0.00 58.31 57.90 3msp n LYS 65 Cb 0.44 -4.58 -0.05 0.00 0.02 0.00 0.00 35.03 30.86 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 -4.25 3.59 -0.11 1.64 2.02 -0.69 -4.83 118.70 116.06 3msp s GLU 66 Ca 0.00 -0.13 0.03 0.00 0.02 0.00 0.00 54.97 54.89 3msp s GLU 66 Cb 0.00 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.28 3msp s GLU 66 CO 0.00 0.55 -0.22 -1.59 0.02 0.00 0.00 175.26 174.02 3msp s LYS 67 N -2.35 2.90 -0.04 1.61 -2.85 -1.26 -1.86 119.74 115.89 3msp s LYS 67 Ca 0.36 -0.82 0.06 0.00 -1.00 0.00 0.00 55.97 54.57 3msp s LYS 67 Cb -0.13 -2.25 -0.02 0.00 -2.06 0.00 0.00 37.83 33.38 3msp s LYS 67 CO 0.23 0.10 -0.22 0.14 0.10 0.00 0.00 175.35 175.69 3msp s VAL 68 N 0.53 2.33 -0.23 1.79 -7.23 -0.77 -5.01 120.40 111.81 3msp s VAL 68 Ca -0.15 -0.99 -0.15 0.00 -1.81 0.00 0.00 61.98 58.88 3msp s VAL 68 Cb -0.17 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 3msp s VAL 68 CO 0.05 0.58 0.36 -0.22 -0.31 0.00 0.00 175.10 175.56 3msp s LEU 69 N -0.50 4.11 0.32 1.32 2.96 -1.26 -2.56 118.68 123.08 3msp s LEU 69 Ca 0.06 0.39 0.10 0.00 -0.22 0.00 0.00 54.13 54.46 3msp s LEU 69 Cb -0.11 -2.43 -0.06 0.00 0.50 0.00 0.00 46.19 44.09 3msp s LEU 69 CO 0.01 -0.09 -0.11 0.00 -1.32 0.00 0.00 176.35 174.83 3msp s MET 70 N 1.52 1.82 0.07 1.98 0.23 -0.87 -4.49 119.30 119.56 3msp s MET 70 Ca 0.16 -1.84 0.02 0.00 -1.03 0.00 0.00 55.69 53.00 3msp s MET 70 Cb -0.15 -1.77 -0.03 0.00 -1.53 0.00 0.00 34.83 31.35 3msp s MET 70 CO 0.08 0.21 -0.07 0.00 -2.03 0.00 0.00 175.02 173.21 3msp s ALA 71 N -2.55 0.75 -0.40 3.16 0.00 -0.52 -1.50 121.76 120.70 3msp s ALA 71 Ca 0.32 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.26 3msp s ALA 71 Cb -0.01 0.10 0.14 0.00 0.00 0.00 0.00 23.12 23.35 3msp s ALA 71 CO 0.16 -0.12 0.23 0.08 0.00 0.00 0.00 175.76 176.11 3msp s VAL 72 N -2.41 0.82 0.27 0.00 1.01 -0.39 -2.17 120.40 117.54 3msp s VAL 72 Ca -0.00 -2.17 -0.29 0.00 0.00 0.00 0.00 61.98 59.52 3msp s VAL 72 Cb -0.03 -1.59 -0.09 0.00 0.00 0.00 0.00 36.38 34.67 3msp s VAL 72 CO -0.02 -0.94 1.11 -0.94 0.00 0.00 0.00 175.10 174.31 3msp s SER 73 N 0.68 7.24 0.06 3.32 1.04 0.42 -3.06 113.70 123.41 3msp s SER 73 Ca 0.18 2.27 0.05 0.00 0.48 0.00 0.00 55.95 58.93 3msp s SER 73 Cb -0.24 -2.63 -0.03 0.00 0.10 0.00 0.00 66.02 63.23 3msp s SER 73 CO 0.01 -0.18 -0.14 0.00 0.98 0.00 0.00 173.24 173.91 3msp s ASP 75 N -1.64 6.09 0.04 0.00 1.11 -1.24 -3.97 116.67 117.07 3msp s ASP 75 Ca -0.02 0.21 -0.31 0.00 0.18 0.00 0.00 52.55 52.61 3msp s ASP 75 Cb -0.10 -1.82 -0.06 0.00 1.07 0.00 0.00 42.92 42.01 3msp s ASP 75 CO 0.02 0.20 1.33 0.42 1.18 0.00 0.00 175.17 178.32 3msp s THR 76 N -1.41 3.72 0.14 -1.27 -4.23 -1.26 -5.00 115.64 106.33 3msp s THR 76 Ca 0.31 1.18 0.01 0.00 -1.18 0.00 0.00 61.69 62.01 3msp s THR 76 Cb -0.13 -3.76 -0.01 0.00 1.34 0.00 0.00 72.50 69.95 3msp s THR 76 CO 0.23 0.05 0.15 2.22 -0.54 0.00 0.00 174.62 176.73 3msp n PHE 77 N 4.62 -0.54 -4.00 3.99 -1.74 -0.71 -4.95 117.46 114.13 3msp n PHE 77 Ca 0.11 -1.04 -0.26 0.00 -0.56 0.00 0.00 57.45 55.70 3msp n PHE 77 Cb 0.44 0.16 -0.17 0.00 1.52 0.00 0.00 39.48 41.43 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 -1.90 2.10 0.58 5.98 -0.87 -1.26 -4.60 114.94 114.97 3msp s ASN 78 Ca 0.14 -0.30 0.36 0.00 -1.57 0.00 0.00 52.86 51.49 3msp s ASN 78 Cb 0.00 -0.83 1.72 0.00 -0.02 0.00 0.00 41.25 42.12 3msp s ASN 78 CO 0.10 -0.10 2.12 0.00 -2.57 0.00 0.00 177.10 176.65 3msp h ALA 79 N 8.01 1.05 -0.79 0.60 0.00 -1.96 -2.98 119.26 123.18 3msp h ALA 79 Ca -0.30 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.71 3msp h ALA 79 Cb 1.14 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 3msp h ALA 79 CO 0.42 0.04 0.38 0.00 0.00 0.00 0.00 179.25 180.08 3msp h ALA 80 N 1.97 1.14 -1.88 0.00 0.00 -2.01 -3.29 119.26 115.18 3msp h ALA 80 Ca -0.00 0.08 -0.52 0.00 0.00 0.00 0.00 54.91 54.47 3msp h ALA 80 Cb 0.32 -0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.73 3msp h ALA 80 CO 0.00 -0.10 -1.09 0.25 0.00 0.00 0.00 179.25 178.31 3msp n THR 81 N -4.90 -0.54 -4.03 0.00 -2.24 -1.13 -5.11 114.28 96.33 3msp n THR 81 Ca 0.15 -4.00 -0.10 0.00 -2.27 0.00 0.00 64.05 57.83 3msp n THR 81 Cb 0.38 -1.38 -0.05 0.00 -2.10 0.00 0.00 70.33 67.18 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 -1.36 1.61 0.22 -0.78 0.41 -1.20 -4.91 118.70 112.69 3msp s GLU 82 Ca 0.36 -1.39 -0.30 0.00 -0.41 0.00 0.00 54.97 53.23 3msp s GLU 82 Cb 0.21 0.45 -0.09 0.00 -1.78 0.00 0.00 34.13 32.93 3msp s GLU 82 CO -0.11 -0.66 1.18 -0.51 -0.49 0.00 0.00 175.26 174.67 3msp s ASP 83 N -3.08 7.10 -0.42 -0.19 1.11 -1.26 -4.97 116.67 114.97 3msp s ASP 83 Ca 0.25 2.28 0.05 0.00 0.18 0.00 0.00 52.55 55.31 3msp s ASP 83 Cb 0.00 -2.61 0.17 0.00 1.07 0.00 0.00 42.92 41.55 3msp s ASP 83 CO 0.12 -0.33 0.52 -0.76 1.18 0.00 0.00 175.17 175.89 3msp s LEU 84 N -0.63 -0.56 -0.16 1.23 1.43 -1.26 -4.97 118.68 113.76 3msp s LEU 84 Ca 0.51 -1.61 0.17 0.00 -1.03 0.00 0.00 54.13 52.16 3msp s LEU 84 Cb -0.33 1.10 0.36 0.00 0.03 0.00 0.00 46.19 47.34 3msp s LEU 84 CO 0.39 -0.18 1.22 0.59 0.23 0.00 0.00 176.35 178.60 3msp n ASN 85 N 3.80 2.43 -1.86 2.29 4.13 -1.26 -5.02 115.26 119.77 3msp n ASN 85 Ca 0.15 -3.27 -0.01 0.00 1.68 0.00 0.00 54.58 53.13 3msp n ASN 85 Cb 0.51 -0.48 -0.00 0.00 -1.54 0.00 0.00 39.78 38.27 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 -1.24 -3.13 -4.78 6.41 5.03 -1.26 -5.01 115.26 111.27 3msp n ASN 86 Ca 0.18 0.44 -0.34 0.00 0.87 0.00 0.00 54.58 55.73 3msp n ASN 86 Cb 0.70 -2.34 0.01 0.00 -1.02 0.00 0.00 39.78 37.14 3msp n ASN 86 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3msp s ASP 87 N -0.42 5.59 -0.25 6.41 1.11 -1.25 -4.95 116.67 122.91 3msp s ASP 87 Ca -0.03 2.03 -0.15 0.00 0.18 0.00 0.00 52.55 54.58 3msp s ASP 87 Cb 0.00 -2.56 0.07 0.00 1.07 0.00 0.00 42.92 41.51 3msp s ASP 87 CO 0.25 -1.30 0.62 0.00 1.18 0.00 0.00 175.17 175.91 3msp s ARG 88 N -3.69 0.64 0.59 8.23 1.70 -1.26 -2.11 118.95 123.05 3msp s ARG 88 Ca 0.69 1.09 -0.07 0.00 -0.47 0.00 0.00 55.73 56.97 3msp s ARG 88 Cb -0.20 0.12 -0.00 0.00 -0.57 0.00 0.00 34.95 34.30 3msp s ARG 88 CO 0.33 -0.15 0.92 0.42 -1.08 0.00 0.00 175.30 175.74 3msp s ILE 89 N 1.45 3.95 -0.11 4.99 -1.09 -0.59 -3.46 121.20 126.35 3msp s ILE 89 Ca -0.09 0.17 -0.04 0.00 -2.23 0.00 0.00 60.65 58.47 3msp s ILE 89 Cb -0.06 -3.57 0.05 0.00 -1.58 0.00 0.00 42.46 37.31 3msp s ILE 89 CO -0.16 -0.61 0.19 -0.89 -1.23 0.00 0.00 174.94 172.23 3msp s THR 90 N -3.01 -0.30 -0.45 2.92 2.01 0.19 -1.48 115.64 115.53 3msp s THR 90 Ca 0.53 0.29 -0.01 0.00 0.31 0.00 0.00 61.69 62.82 3msp s THR 90 Cb -0.11 -0.36 0.12 0.00 0.01 0.00 0.00 72.50 72.16 3msp s THR 90 CO 0.47 0.10 0.22 -0.63 -0.69 0.00 0.00 174.62 174.09 3msp s ILE 91 N 2.32 3.09 -0.15 1.82 1.09 -0.54 -0.95 121.20 127.88 3msp s ILE 91 Ca 0.03 -2.42 -0.06 0.00 -1.10 0.00 0.00 60.65 57.10 3msp s ILE 91 Cb -0.12 -3.12 -0.04 0.00 -1.06 0.00 0.00 42.46 38.11 3msp s ILE 91 CO -0.07 -0.72 0.05 -1.61 -0.10 0.00 0.00 174.94 172.49 3msp s GLU 92 N 0.71 3.63 0.05 2.79 2.02 -0.97 -2.37 118.70 124.56 3msp s GLU 92 Ca 0.11 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.77 3msp s GLU 92 Cb -0.22 -3.08 -0.03 0.00 0.10 0.00 0.00 34.13 30.90 3msp s GLU 92 CO -0.04 0.45 -0.04 1.67 0.02 0.00 0.00 175.26 177.32 3msp s TRP 93 N -0.16 0.52 0.01 1.61 -2.14 -0.57 -1.56 118.94 116.64 3msp s TRP 93 Ca 0.07 -0.76 -0.11 0.00 2.66 0.00 0.00 56.10 57.95 3msp s TRP 93 Cb -0.12 -0.34 0.01 0.00 -3.10 0.00 0.00 33.47 29.92 3msp s TRP 93 CO 0.01 -0.23 0.23 -0.08 -2.66 0.00 0.00 176.95 174.22 3msp s THR 94 N -2.60 0.08 0.65 0.66 -1.32 -0.88 -2.07 115.64 110.15 3msp s THR 94 Ca -0.03 -0.66 -0.17 0.00 -1.21 0.00 0.00 61.69 59.62 3msp s THR 94 Cb -0.02 -0.64 -0.03 0.00 -1.51 0.00 0.00 72.50 70.30 3msp s THR 94 CO -0.04 -0.36 0.97 0.59 -2.21 0.00 0.00 174.62 173.57 3msp n ASN 95 N 1.15 0.70 -4.86 8.08 3.02 -1.26 -1.53 115.26 120.55 3msp n ASN 95 Ca -0.21 0.76 -0.36 0.00 -0.03 0.00 0.00 54.58 54.73 3msp n ASN 95 Cb 0.57 -1.40 -0.06 0.00 -0.61 0.00 0.00 39.78 38.28 3msp n ASN 95 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3msp s THR 96 N -1.60 5.22 0.76 3.41 -4.23 -0.93 -4.72 115.64 113.55 3msp s THR 96 Ca 0.76 0.45 -0.13 0.00 -1.18 0.00 0.00 61.69 61.59 3msp s THR 96 Cb -0.39 -3.59 0.06 0.00 1.34 0.00 0.00 72.50 69.91 3msp s THR 96 CO 0.47 0.48 1.15 -2.16 -0.54 0.00 0.00 174.62 174.02 3msp s PRO 97 N -1.40 2.07 0.05 3.99 0.04 -1.26 -4.86 135.00 133.63 3msp s PRO 97 Ca 0.24 1.53 -0.36 0.00 0.04 0.00 0.00 61.00 62.45 3msp s PRO 97 Cb -0.14 -1.85 -0.16 0.00 0.04 0.00 0.00 34.50 32.39 3msp s PRO 97 CO 0.13 -1.84 1.47 -0.40 0.04 0.00 0.00 177.00 176.41 3msp n ASP 98 N -3.11 2.16 -2.82 6.66 5.75 -1.26 -0.63 116.55 123.30 3msp n ASP 98 Ca 0.12 1.10 -0.21 0.00 -0.01 0.00 0.00 54.79 55.78 3msp n ASP 98 Cb 0.51 -1.25 0.03 0.00 -1.03 0.00 0.00 41.12 39.39 3msp n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3msp n GLY 99 N 3.03 -0.47 3.70 6.12 0.00 -1.26 -4.90 105.19 111.41 3msp n GLY 99 Ca 0.19 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.14 3.83 1.11 4.61 0.00 0.20 -4.96 121.76 123.41 3msp s ALA 100 Ca 0.25 1.50 -0.13 0.00 0.00 0.00 0.00 51.96 53.59 3msp s ALA 100 Cb -0.11 -3.74 0.23 0.00 0.00 0.00 0.00 23.12 19.50 3msp s ALA 100 CO 0.31 -1.11 0.92 0.00 0.00 0.00 0.00 175.76 175.89 3msp n ALA 101 N 5.04 -2.56 -2.16 0.00 0.00 -1.26 -4.86 120.51 114.70 3msp n ALA 101 Ca 0.17 -1.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.15 3msp n ALA 101 Cb 0.37 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 -4.41 3.33 -3.60 0.00 4.76 -1.26 -4.80 118.16 112.18 3msp n LYS 102 Ca 0.05 -3.22 0.01 0.00 -2.87 0.00 0.00 58.31 52.29 3msp n LYS 102 Cb 0.54 -3.07 -0.06 0.00 -1.84 0.00 0.00 35.03 30.60 3msp n LYS 102 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 3msp s GLN 103 N 1.53 0.14 0.64 1.97 -2.07 -1.26 -5.14 119.66 115.47 3msp s GLN 103 Ca 0.43 0.25 -0.17 0.00 -1.82 0.00 0.00 55.36 54.05 3msp s GLN 103 Cb 0.10 0.05 -0.05 0.00 -1.09 0.00 0.00 33.01 32.02 3msp s GLN 103 CO -0.03 -0.03 0.69 0.34 -1.32 0.00 0.00 175.29 174.95 3msp n PHE 104 N 3.44 -0.16 -4.10 9.60 7.35 -1.26 -5.02 117.46 127.31 3msp n PHE 104 Ca -0.16 0.41 -0.10 0.00 -0.76 0.00 0.00 57.45 56.83 3msp n PHE 104 Cb 0.56 -2.01 -0.11 0.00 0.35 0.00 0.00 39.48 38.28 3msp n PHE 104 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 3msp s ARG 105 N -2.59 0.63 -0.07 -4.13 0.52 -1.26 -5.06 118.95 107.00 3msp s ARG 105 Ca 0.71 -1.05 0.03 0.00 -0.52 0.00 0.00 55.73 54.90 3msp s ARG 105 Cb -0.40 -0.11 -0.25 0.00 0.52 0.00 0.00 34.95 34.71 3msp s ARG 105 CO 0.53 -0.02 0.58 -0.09 0.02 0.00 0.00 175.30 176.31 3msp h ARG 106 N 3.67 0.13 0.00 3.54 2.43 -2.02 -3.34 114.38 118.78 3msp h ARG 106 Ca -0.35 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 58.59 3msp h ARG 106 Cb 1.18 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3msp h ARG 106 CO 0.55 0.84 -0.07 1.05 -1.51 0.00 0.00 179.97 180.83 3msp h GLU 107 N 0.04 0.00 -1.00 0.20 4.11 -1.97 -2.53 114.58 113.42 3msp h GLU 107 Ca -0.33 0.00 0.25 0.00 0.07 0.00 0.00 59.36 59.35 3msp h GLU 107 Cb 2.02 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 31.19 3msp h GLU 107 CO 0.09 0.07 0.66 -1.49 0.07 0.00 0.00 179.01 178.42 3msp h TRP 108 N 0.00 0.49 0.02 2.06 6.55 -1.96 -0.73 115.95 122.38 3msp h TRP 108 Ca -0.00 0.02 -0.34 0.00 0.95 0.00 0.00 58.89 59.52 3msp h TRP 108 Cb 0.21 -0.15 -0.05 0.00 -0.86 0.00 0.00 29.16 28.31 3msp h TRP 108 CO 0.00 0.08 -2.04 1.19 -1.05 0.00 0.00 178.44 176.61 3msp n PHE 109 N -4.51 0.65 -1.58 0.49 3.01 -0.97 -4.34 117.46 110.22 3msp n PHE 109 Ca 0.23 0.20 -0.30 0.00 1.01 0.00 0.00 57.45 58.59 3msp n PHE 109 Cb 0.87 -1.11 -0.02 0.00 -0.01 0.00 0.00 39.48 39.21 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 -3.06 2.48 0.00 -1.08 1.13 -0.33 -4.84 117.38 111.68 3msp n GLN 110 Ca -0.27 -2.66 0.00 0.00 -1.94 0.00 0.00 57.00 52.12 3msp n GLN 110 Cb 1.07 -2.16 0.00 0.00 0.11 0.00 0.00 30.24 29.27 3msp n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3msp n GLY 111 N 0.40 4.21 3.89 1.08 0.00 -0.88 -4.86 105.19 109.04 3msp n GLY 111 Ca 0.50 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3msp n GLY 111 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3msp s ASP 112 N 1.50 6.17 0.00 1.61 1.11 -1.26 -5.01 116.67 120.78 3msp s ASP 112 Ca 0.00 0.18 0.00 0.00 0.18 0.00 0.00 52.55 52.91 3msp s ASP 112 Cb 0.00 -1.84 0.00 0.00 1.07 0.00 0.00 42.92 42.15 3msp s ASP 112 CO 0.00 0.14 0.00 0.61 1.18 0.00 0.00 175.17 177.10 3msp n GLY 113 N 0.11 2.47 3.72 0.21 0.00 -1.26 -4.96 105.19 105.47 3msp n GLY 113 Ca -0.06 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 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 -5.04 4.40 -0.19 1.61 1.00 -1.26 -5.01 119.30 114.80 3msp s MET 114 Ca 0.00 1.88 -0.05 0.00 0.00 0.00 0.00 55.69 57.53 3msp s MET 114 Cb 0.00 -3.30 -0.02 0.00 0.00 0.00 0.00 34.83 31.50 3msp s MET 114 CO 0.00 -0.31 -0.01 0.08 0.00 0.00 0.00 175.02 174.78 3msp s VAL 115 N 0.99 3.87 0.12 -6.03 1.01 -1.26 -4.47 120.40 114.62 3msp s VAL 115 Ca 0.60 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 62.06 3msp s VAL 115 Cb -0.32 -2.74 -0.07 0.00 0.00 0.00 0.00 36.38 33.25 3msp s VAL 115 CO 0.30 0.44 0.59 -0.13 0.00 0.00 0.00 175.10 176.30 3msp s ARG 116 N 0.92 4.13 -0.32 2.72 0.52 -0.88 -4.96 118.95 121.09 3msp s ARG 116 Ca 0.01 0.67 -0.02 0.00 -0.52 0.00 0.00 55.73 55.87 3msp s ARG 116 Cb -0.14 -3.08 0.11 0.00 0.52 0.00 0.00 34.95 32.36 3msp s ARG 116 CO 0.02 0.55 0.14 -0.98 0.02 0.00 0.00 175.30 175.04 3msp s ARG 117 N -1.54 0.47 0.47 3.54 1.70 -1.26 -1.51 118.95 120.81 3msp s ARG 117 Ca 0.34 -0.91 -0.06 0.00 -0.47 0.00 0.00 55.73 54.63 3msp s ARG 117 Cb -0.17 -1.50 -0.04 0.00 -0.57 0.00 0.00 34.95 32.66 3msp s ARG 117 CO 0.19 -1.05 0.78 0.15 -1.08 0.00 0.00 175.30 174.29 3msp s LYS 118 N 1.68 3.57 -0.07 3.89 1.02 -1.00 -4.92 119.74 123.91 3msp s LYS 118 Ca 0.11 0.22 -0.03 0.00 0.02 0.00 0.00 55.97 56.30 3msp s LYS 118 Cb -0.18 -2.38 0.04 0.00 -0.52 0.00 0.00 37.83 34.79 3msp s LYS 118 CO -0.25 -0.18 0.14 0.54 -0.92 0.00 0.00 175.35 174.68 3msp s ASN 119 N -3.99 0.82 -0.08 2.83 2.20 -1.26 -1.47 114.94 113.99 3msp s ASN 119 Ca 0.48 0.27 -0.14 0.00 -0.94 0.00 0.00 52.86 52.53 3msp s ASN 119 Cb -0.10 0.18 -0.05 0.00 -2.00 0.00 0.00 41.25 39.27 3msp s ASN 119 CO 0.43 -0.24 0.35 -0.76 -2.94 0.00 0.00 177.10 173.94 3msp s LEU 120 N 2.24 4.36 -0.03 3.54 1.43 -0.55 -4.92 118.68 124.75 3msp s LEU 120 Ca 0.03 0.74 -0.26 0.00 -1.03 0.00 0.00 54.13 53.61 3msp s LEU 120 Cb -0.12 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 3msp s LEU 120 CO -0.05 0.21 0.82 -2.16 0.23 0.00 0.00 176.35 175.40 3msp s PRO 121 N -0.30 4.49 -0.21 1.29 0.04 -1.26 -1.54 135.00 137.51 3msp s PRO 121 Ca 0.21 1.12 -0.03 0.00 0.04 0.00 0.00 61.00 62.34 3msp s PRO 121 Cb -0.15 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.95 3msp s PRO 121 CO 0.09 0.04 -0.08 0.42 0.04 0.00 0.00 177.00 177.51 3msp s ILE 122 N 0.80 3.03 0.24 0.56 -1.09 -0.90 -2.38 121.20 121.47 3msp s ILE 122 Ca 0.43 -0.64 0.11 0.00 -2.23 0.00 0.00 60.65 58.32 3msp s ILE 122 Cb -0.19 -2.38 -0.05 0.00 -1.58 0.00 0.00 42.46 38.26 3msp s ILE 122 CO 0.23 0.43 -0.16 -1.61 -1.23 0.00 0.00 174.94 172.59 3msp s GLU 123 N 1.42 1.81 -0.33 2.79 2.02 -0.93 -3.95 118.70 121.53 3msp s GLU 123 Ca 0.05 -1.56 -0.04 0.00 0.02 0.00 0.00 54.97 53.44 3msp s GLU 123 Cb -0.14 -1.92 0.05 0.00 0.10 0.00 0.00 34.13 32.21 3msp s GLU 123 CO -0.06 0.37 0.06 0.71 0.02 0.00 0.00 175.26 176.37 3msp s TYR 124 N -2.12 3.29 -1.23 1.61 2.02 -1.26 -0.63 117.35 119.03 3msp s TYR 124 Ca 0.27 -1.73 -0.17 0.00 -0.37 0.00 0.00 57.07 55.06 3msp s TYR 124 Cb -0.07 -2.28 0.10 0.00 -0.40 0.00 0.00 41.96 39.31 3msp s TYR 124 CO 0.15 -0.79 1.60 -0.80 -1.57 0.00 0.00 175.55 174.13 3msp s ASN 125 N 1.38 6.86 0.00 2.29 -0.87 -0.80 -5.00 114.94 118.80 3msp s ASN 125 Ca -0.03 -2.48 0.22 0.00 -1.57 0.00 0.00 52.86 49.01 3msp s ASN 125 Cb -0.20 -2.52 1.32 0.00 -0.02 0.00 0.00 41.25 39.83 3msp s ASN 125 CO 0.00 -1.08 1.70 0.18 -2.57 0.00 0.00 177.10 175.33