#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3msp s GLN 2 N 0.00 1.13 -0.19 0.00 -2.07 -1.26 -4.93 119.66 112.34 3msp s GLN 2 Ca 0.00 -0.17 -0.15 0.00 -1.82 0.00 0.00 55.36 53.22 3msp s GLN 2 Cb 0.00 0.52 -0.07 0.00 -1.09 0.00 0.00 33.01 32.37 3msp s GLN 2 CO 0.00 -0.43 -0.32 0.45 -1.32 0.00 0.00 175.29 173.68 3msp n SER 3 N 0.28 1.82 -3.65 12.60 2.88 -1.26 -5.09 113.62 121.20 3msp n SER 3 Ca -0.18 0.31 -0.03 0.00 -1.33 0.00 0.00 58.87 57.63 3msp n SER 3 Cb 0.61 -0.71 -0.07 0.00 -0.75 0.00 0.00 64.21 63.29 3msp n SER 3 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3msp s VAL 4 N -2.69 0.00 0.53 2.46 0.11 -1.26 -5.16 120.40 114.39 3msp s VAL 4 Ca -0.29 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.55 3msp s VAL 4 Cb 0.07 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.85 3msp s VAL 4 CO 0.40 0.00 0.90 -2.65 -3.33 0.00 0.00 175.10 170.42 3msp n PRO 5 N 1.52 0.99 -2.16 1.54 -0.02 -1.26 -4.87 135.00 130.73 3msp n PRO 5 Ca -0.09 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 3msp n PRO 5 Cb 0.57 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 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 -2.37 3.19 0.20 0.52 0.04 -1.26 -4.93 135.00 130.40 3msp s PRO 6 Ca 0.70 0.91 -0.32 0.00 0.04 0.00 0.00 61.00 62.32 3msp s PRO 6 Cb -0.47 -4.20 -0.12 0.00 0.04 0.00 0.00 34.50 29.75 3msp s PRO 6 CO 0.52 -2.04 1.72 0.41 0.04 0.00 0.00 177.00 177.65 3msp n GLY 7 N 5.39 1.52 3.67 0.56 0.00 -1.26 -4.88 105.19 110.19 3msp n GLY 7 Ca 0.19 0.62 -0.47 0.00 0.00 0.00 0.00 46.02 46.37 3msp n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3msp n ASP 8 N 3.98 3.07 -4.80 1.61 8.00 -1.26 -4.40 116.55 122.75 3msp n ASP 8 Ca 0.16 1.07 -0.38 0.00 0.71 0.00 0.00 54.79 56.35 3msp n ASP 8 Cb 0.35 -1.41 -0.06 0.00 -0.02 0.00 0.00 41.12 39.98 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 1.25 4.85 0.48 0.53 -4.36 -1.26 -3.24 121.20 119.45 3msp s ILE 9 Ca 0.81 1.13 -0.20 0.00 -0.26 0.00 0.00 60.65 62.12 3msp s ILE 9 Cb -0.69 -3.86 -0.08 0.00 1.25 0.00 0.00 42.46 39.07 3msp s ILE 9 CO 0.40 0.53 1.04 0.21 0.24 0.00 0.00 174.94 177.36 3msp s ASN 10 N -0.87 6.33 0.00 4.36 3.04 -0.20 -4.86 114.94 122.74 3msp s ASN 10 Ca 0.28 1.95 -0.08 0.00 0.04 0.00 0.00 52.86 55.05 3msp s ASN 10 Cb -0.18 -2.56 0.00 0.00 -1.54 0.00 0.00 41.25 36.97 3msp s ASN 10 CO 0.17 -0.79 0.16 0.42 -3.04 0.00 0.00 177.10 174.02 3msp s THR 11 N -1.94 0.08 -0.23 -5.21 -4.23 -1.26 -1.73 115.64 101.12 3msp s THR 11 Ca 0.67 -0.66 -0.03 0.00 -1.18 0.00 0.00 61.69 60.49 3msp s THR 11 Cb -0.17 -0.45 0.10 0.00 1.34 0.00 0.00 72.50 73.32 3msp s THR 11 CO 0.21 -0.36 0.22 -1.10 -0.54 0.00 0.00 174.62 173.05 3msp s GLN 12 N -1.37 0.21 0.75 3.99 -1.52 -0.38 -2.25 119.66 119.10 3msp s GLN 12 Ca -0.14 0.06 -0.14 0.00 -1.95 0.00 0.00 55.36 53.18 3msp s GLN 12 Cb -0.07 -1.13 0.05 0.00 -0.22 0.00 0.00 33.01 31.64 3msp s GLN 12 CO 0.02 -0.76 1.21 -1.25 -0.25 0.00 0.00 175.29 174.25 3msp s PRO 13 N 2.30 2.00 0.09 2.91 0.04 -1.26 -2.41 135.00 138.67 3msp s PRO 13 Ca 0.07 1.76 -0.27 0.00 0.04 0.00 0.00 61.00 62.60 3msp s PRO 13 Cb -0.15 -1.82 -0.16 0.00 0.04 0.00 0.00 34.50 32.41 3msp s PRO 13 CO -0.18 -1.94 1.68 0.77 0.04 0.00 0.00 177.00 177.37 3msp h SER 14 N -0.46 -0.39 0.00 6.66 0.02 -1.85 -3.40 113.55 114.13 3msp h SER 14 Ca -0.47 0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.33 3msp h SER 14 Cb 1.30 0.11 -0.15 0.00 0.14 0.00 0.00 62.40 63.80 3msp h SER 14 CO 0.49 -0.26 -0.27 1.67 -1.14 0.00 0.00 176.83 177.32 3msp n GLN 15 N -5.28 1.35 -3.21 3.45 7.27 -1.26 -4.72 117.38 114.98 3msp n GLN 15 Ca -0.10 -1.20 0.04 0.00 0.07 0.00 0.00 57.00 55.81 3msp n GLN 15 Cb 0.19 0.43 -0.02 0.00 2.41 0.00 0.00 30.24 33.26 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 0.13 0.47 -0.04 3.69 -2.85 -1.26 -4.26 119.74 115.62 3msp s LYS 16 Ca 0.09 0.89 0.03 0.00 -1.00 0.00 0.00 55.97 55.97 3msp s LYS 16 Cb 0.44 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.72 3msp s LYS 16 CO -0.13 -0.46 -0.12 -1.50 0.10 0.00 0.00 175.35 173.24 3msp s ILE 17 N 2.86 1.02 -0.21 3.79 2.07 -1.02 -4.61 121.20 125.12 3msp s ILE 17 Ca 0.12 -0.47 -0.01 0.00 -1.41 0.00 0.00 60.65 58.88 3msp s ILE 17 Cb -0.13 -0.91 0.06 0.00 0.13 0.00 0.00 42.46 41.61 3msp s ILE 17 CO -0.18 0.31 -0.01 0.54 -1.91 0.00 0.00 174.94 173.69 3msp s VAL 18 N 0.30 0.96 0.76 4.00 0.11 -1.26 -1.87 120.40 123.39 3msp s VAL 18 Ca -0.06 -0.81 -0.15 0.00 -2.93 0.00 0.00 61.98 58.03 3msp s VAL 18 Cb -0.11 -1.34 0.03 0.00 -1.53 0.00 0.00 36.38 33.43 3msp s VAL 18 CO 0.02 -0.13 1.01 0.49 -3.33 0.00 0.00 175.10 173.16 3msp n PHE 19 N 4.89 0.76 -4.03 1.54 3.72 0.06 -4.78 117.46 119.61 3msp n PHE 19 Ca -0.10 0.39 -0.34 0.00 -0.05 0.00 0.00 57.45 57.35 3msp n PHE 19 Cb 0.46 -2.08 -0.15 0.00 -0.94 0.00 0.00 39.48 36.77 3msp n PHE 19 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3msp s ASN 20 N -1.81 3.69 1.09 4.37 2.47 -1.26 -1.97 114.94 121.52 3msp s ASN 20 Ca 0.72 -0.52 -0.20 0.00 0.42 0.00 0.00 52.86 53.28 3msp s ASN 20 Cb -0.32 -1.60 0.06 0.00 -1.45 0.00 0.00 41.25 37.93 3msp s ASN 20 CO 0.51 -0.01 -0.19 0.00 -3.72 0.00 0.00 177.10 173.69 3msp n ALA 21 N 4.69 -4.32 -1.41 1.71 0.00 -1.00 -4.80 120.51 115.38 3msp n ALA 21 Ca -0.20 -1.26 -0.30 0.00 0.00 0.00 0.00 53.44 51.68 3msp n ALA 21 Cb 0.50 -1.43 0.10 0.00 0.00 0.00 0.00 19.45 18.62 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 -3.24 2.00 -0.38 0.00 0.04 -1.26 -5.06 135.00 127.09 3msp s PRO 22 Ca 0.53 0.82 0.06 0.00 0.04 0.00 0.00 61.00 62.44 3msp s PRO 22 Cb -0.09 -1.89 0.49 0.00 0.04 0.00 0.00 34.50 33.04 3msp s PRO 22 CO 0.66 -1.73 1.53 0.66 0.04 0.00 0.00 177.00 178.17 3msp n TYR 23 N -3.53 2.11 0.23 0.56 4.01 -1.26 -4.49 117.16 114.79 3msp n TYR 23 Ca 0.07 -2.10 0.07 0.00 -0.16 0.00 0.00 57.90 55.79 3msp n TYR 23 Cb 0.55 -0.67 0.12 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.97 2.67 -3.75 7.72 9.92 -1.26 -2.27 116.55 128.62 3msp n ASP 24 Ca 0.44 -1.79 -0.13 0.00 -0.53 0.00 0.00 54.79 52.78 3msp n ASP 24 Cb 0.97 -0.14 -0.14 0.00 -0.64 0.00 0.00 41.12 41.18 3msp n ASP 24 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3msp s ASP 25 N -1.12 -0.17 -0.10 -2.24 1.01 -1.26 -4.84 116.67 107.94 3msp s ASP 25 Ca 0.23 0.38 -0.37 0.00 0.71 0.00 0.00 52.55 53.51 3msp s ASP 25 Cb 0.14 0.29 -0.14 0.00 1.01 0.00 0.00 42.92 44.22 3msp s ASP 25 CO 0.19 -0.14 1.73 2.29 0.21 0.00 0.00 175.17 179.45 3msp n LYS 26 N 4.02 1.69 -4.35 8.23 2.85 -1.26 -4.75 118.16 124.58 3msp n LYS 26 Ca -0.24 0.62 -0.29 0.00 -1.05 0.00 0.00 58.31 57.35 3msp n LYS 26 Cb 0.53 -2.37 -0.12 0.00 -0.65 0.00 0.00 35.03 32.42 3msp n LYS 26 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3msp s HIS 27 N 3.05 2.41 -0.24 5.58 3.76 -1.17 -4.96 115.29 123.71 3msp s HIS 27 Ca 0.92 -0.33 0.02 0.00 -0.15 0.00 0.00 55.06 55.52 3msp s HIS 27 Cb -0.86 -1.29 0.06 0.00 1.11 0.00 0.00 32.58 31.61 3msp s HIS 27 CO 0.54 0.37 -0.07 0.99 -0.85 0.00 0.00 174.74 175.72 3msp s THR 28 N -1.13 1.75 -0.32 1.30 2.01 -1.26 -2.08 115.64 115.91 3msp s THR 28 Ca 0.16 -1.38 -0.14 0.00 0.31 0.00 0.00 61.69 60.65 3msp s THR 28 Cb -0.10 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 3msp s THR 28 CO 0.08 -0.09 0.30 -0.31 -0.69 0.00 0.00 174.62 173.91 3msp s TYR 29 N 1.29 3.22 -0.00 4.92 1.51 -0.87 -4.87 117.35 122.55 3msp s TYR 29 Ca -0.07 -0.01 -0.29 0.00 -1.01 0.00 0.00 57.07 55.70 3msp s TYR 29 Cb -0.19 -2.55 -0.03 0.00 -0.11 0.00 0.00 41.96 39.07 3msp s TYR 29 CO -0.06 -0.34 0.92 -1.01 -1.11 0.00 0.00 175.55 173.95 3msp s HIS 30 N 1.89 3.66 -0.01 2.71 3.76 -1.26 -2.25 115.29 123.80 3msp s HIS 30 Ca 0.10 1.62 0.03 0.00 -0.15 0.00 0.00 55.06 56.65 3msp s HIS 30 Cb -0.17 -3.04 -0.03 0.00 1.11 0.00 0.00 32.58 30.45 3msp s HIS 30 CO 0.11 0.04 -0.07 0.42 -0.85 0.00 0.00 174.74 174.39 3msp s ILE 31 N 0.84 3.67 -0.18 0.60 1.01 -0.76 -4.94 121.20 121.43 3msp s ILE 31 Ca 0.48 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 60.32 3msp s ILE 31 Cb -0.21 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 3msp s ILE 31 CO 0.26 0.42 0.11 -0.75 0.00 0.00 0.00 174.94 174.99 3msp s LYS 32 N -1.33 4.02 0.15 2.79 2.20 -1.01 -1.48 119.74 125.07 3msp s LYS 32 Ca 0.16 -0.24 0.08 0.00 -0.36 0.00 0.00 55.97 55.62 3msp s LYS 32 Cb -0.11 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 3msp s LYS 32 CO 0.07 0.37 -0.18 0.42 -0.36 0.00 0.00 175.35 175.67 3msp s ILE 33 N 0.14 1.70 0.07 5.43 1.01 -0.92 -1.24 121.20 127.39 3msp s ILE 33 Ca 0.08 -1.81 -0.17 0.00 0.00 0.00 0.00 60.65 58.75 3msp s ILE 33 Cb -0.11 -1.73 0.03 0.00 0.01 0.00 0.00 42.46 40.66 3msp s ILE 33 CO -0.01 -0.29 0.40 -0.89 0.00 0.00 0.00 174.94 174.15 3msp s THR 34 N -1.92 0.06 -0.38 2.92 2.01 -0.70 -1.80 115.64 115.84 3msp s THR 34 Ca 0.13 -0.51 -0.10 0.00 0.31 0.00 0.00 61.69 61.52 3msp s THR 34 Cb -0.06 -1.03 0.04 0.00 0.01 0.00 0.00 72.50 71.45 3msp s THR 34 CO 0.05 -0.28 0.20 0.21 -0.69 0.00 0.00 174.62 174.11 3msp s ASN 35 N -2.30 5.65 -0.20 3.53 2.47 -0.86 -1.03 114.94 122.21 3msp s ASN 35 Ca -0.02 -1.10 0.09 0.00 0.42 0.00 0.00 52.86 52.25 3msp s ASN 35 Cb 0.00 -1.99 0.59 0.00 -1.45 0.00 0.00 41.25 38.40 3msp s ASN 35 CO -0.06 -0.40 1.46 0.00 -3.72 0.00 0.00 177.10 174.38 3msp n ALA 36 N 4.95 3.73 -2.24 1.71 0.00 -1.20 -1.12 120.51 126.34 3msp n ALA 36 Ca -0.12 -1.53 0.00 0.00 0.00 0.00 0.00 53.44 51.80 3msp n ALA 36 Cb 0.45 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 0.27 2.69 0.00 0.00 0.00 -1.26 -4.64 105.19 102.25 3msp n GLY 37 Ca 0.24 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 0.00 3.88 -0.02 0.00 -1.26 -4.54 105.19 108.25 3msp n GLY 38 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3msp n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3msp s ARG 39 N -1.51 3.14 0.90 1.61 1.81 -1.26 -4.38 118.95 119.27 3msp s ARG 39 Ca 0.00 -0.91 -0.13 0.00 -1.72 0.00 0.00 55.73 52.97 3msp s ARG 39 Cb 0.00 -2.71 0.02 0.00 -0.45 0.00 0.00 34.95 31.81 3msp s ARG 39 CO 0.00 0.42 0.42 0.54 -0.68 0.00 0.00 175.30 176.00 3msp n ARG 40 N -1.17 -0.16 -3.58 3.54 1.74 -1.26 -4.68 116.66 111.10 3msp n ARG 40 Ca -0.08 -0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.89 3msp n ARG 40 Cb 0.57 -1.84 -0.11 0.00 -1.02 0.00 0.00 32.46 30.06 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 -2.28 -0.54 -0.31 0.55 -4.36 -0.83 -2.74 121.20 110.68 3msp s ILE 41 Ca 0.58 0.13 -0.27 0.00 -0.26 0.00 0.00 60.65 60.84 3msp s ILE 41 Cb -0.24 -0.63 0.01 0.00 1.25 0.00 0.00 42.46 42.86 3msp s ILE 41 CO 0.66 0.03 0.99 -0.83 0.24 0.00 0.00 174.94 176.02 3msp s GLY 42 N 2.52 1.61 0.19 6.27 0.00 -0.33 -2.07 107.32 115.50 3msp s GLY 42 Ca 0.03 -0.15 0.09 0.00 0.00 0.00 0.00 44.72 44.69 3msp s GLY 42 CO -0.12 2.11 -0.07 0.66 0.00 0.00 0.00 173.10 175.67 3msp s TRP 43 N 3.41 2.67 0.04 1.90 1.48 -0.90 -2.30 118.94 125.23 3msp s TRP 43 Ca 0.41 -0.21 -0.03 0.00 -1.06 0.00 0.00 56.10 55.22 3msp s TRP 43 Cb -0.13 -1.29 -0.02 0.00 -1.16 0.00 0.00 33.47 30.86 3msp s TRP 43 CO 0.14 0.52 0.02 0.00 -4.06 0.00 0.00 176.95 173.57 3msp s ALA 44 N -1.76 0.20 0.08 2.67 0.00 -0.71 -2.22 121.76 120.03 3msp s ALA 44 Ca 0.26 -0.84 0.09 0.00 0.00 0.00 0.00 51.96 51.47 3msp s ALA 44 Cb -0.09 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 3msp s ALA 44 CO 0.16 -0.32 -0.22 0.42 0.00 0.00 0.00 175.76 175.80 3msp s ILE 45 N -3.00 2.51 -0.09 0.00 1.09 -0.82 -2.49 121.20 118.40 3msp s ILE 45 Ca -0.02 -1.45 -0.05 0.00 -1.10 0.00 0.00 60.65 58.04 3msp s ILE 45 Cb 0.01 -2.08 0.04 0.00 -1.06 0.00 0.00 42.46 39.38 3msp s ILE 45 CO -0.07 0.23 0.20 -0.54 -0.10 0.00 0.00 174.94 174.66 3msp s LYS 46 N -1.71 0.17 0.11 2.79 1.02 -0.78 -4.96 119.74 116.38 3msp s LYS 46 Ca 0.15 0.44 0.07 0.00 0.02 0.00 0.00 55.97 56.65 3msp s LYS 46 Cb -0.10 -0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.05 3msp s LYS 46 CO 0.06 -0.15 -0.11 0.95 -0.92 0.00 0.00 175.35 175.18 3msp s THR 47 N 1.09 3.33 0.39 2.17 -4.23 -1.26 -0.66 115.64 116.46 3msp s THR 47 Ca -0.08 -1.30 0.15 0.00 -1.18 0.00 0.00 61.69 59.28 3msp s THR 47 Cb -0.10 -2.56 0.36 0.00 1.34 0.00 0.00 72.50 71.55 3msp s THR 47 CO -0.07 0.10 1.84 0.71 -0.54 0.00 0.00 174.62 176.66 3msp h THR 48 N 3.26 0.69 -3.22 3.99 1.35 -1.87 -3.37 112.91 113.73 3msp h THR 48 Ca -0.49 -0.17 -0.43 0.00 -0.55 0.00 0.00 66.41 64.76 3msp h THR 48 Cb 1.17 0.14 -0.39 0.00 -1.73 0.00 0.00 68.15 67.33 3msp h THR 48 CO 0.52 0.09 -0.75 0.20 -0.25 0.00 0.00 175.52 175.33 3msp s ASN 49 N -5.58 1.84 -0.19 5.36 0.02 -1.26 -5.00 114.94 110.13 3msp s ASN 49 Ca -0.09 -0.28 0.08 0.00 -1.02 0.00 0.00 52.86 51.55 3msp s ASN 49 Cb 0.23 -0.31 0.53 0.00 0.02 0.00 0.00 41.25 41.72 3msp s ASN 49 CO 0.79 -0.27 1.39 0.23 0.02 0.00 0.00 177.10 179.26 3msp n MET 50 N 5.22 3.29 -0.09 -0.60 2.81 -1.26 -3.18 117.12 123.31 3msp n MET 50 Ca -0.06 -2.09 -0.12 0.00 -1.81 0.00 0.00 57.70 53.61 3msp n MET 50 Cb 0.49 -1.98 -0.10 0.00 -0.71 0.00 0.00 33.22 30.93 3msp n MET 50 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 3msp n ARG 51 N 0.23 0.76 -0.07 0.03 1.85 -1.26 -4.66 116.66 113.54 3msp n ARG 51 Ca 0.23 0.08 -0.05 0.00 -1.00 0.00 0.00 57.85 57.11 3msp n ARG 51 Cb 0.96 -1.40 -0.15 0.00 -1.05 0.00 0.00 32.46 30.82 3msp n ARG 51 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3msp n ARG 52 N -2.95 0.93 -4.14 2.89 0.63 -1.26 -4.97 116.66 107.79 3msp n ARG 52 Ca -0.33 -0.04 -0.30 0.00 -0.92 0.00 0.00 57.85 56.26 3msp n ARG 52 Cb 0.92 -1.47 -0.08 0.00 0.45 0.00 0.00 32.46 32.28 3msp n ARG 52 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3msp s LEU 53 N -5.14 3.39 -0.20 6.15 1.43 -1.19 -2.56 118.68 120.56 3msp s LEU 53 Ca -0.09 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 3msp s LEU 53 Cb 0.07 -2.13 0.08 0.00 0.03 0.00 0.00 46.19 44.24 3msp s LEU 53 CO 0.76 0.17 0.18 -0.94 0.23 0.00 0.00 176.35 176.76 3msp s SER 54 N -2.32 1.69 -0.02 2.29 1.04 -0.95 -4.46 113.70 110.97 3msp s SER 54 Ca 0.25 -0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.27 3msp s SER 54 Cb -0.12 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 3msp s SER 54 CO 0.18 -0.34 0.22 0.68 0.98 0.00 0.00 173.24 174.96 3msp s VAL 55 N 2.27 5.38 -0.26 5.02 -7.23 -1.26 -2.07 120.40 122.24 3msp s VAL 55 Ca 0.06 0.06 -0.21 0.00 -1.81 0.00 0.00 61.98 60.07 3msp s VAL 55 Cb -0.16 -3.53 0.07 0.00 0.56 0.00 0.00 36.38 33.32 3msp s VAL 55 CO -0.12 0.39 0.68 -1.81 -0.31 0.00 0.00 175.10 173.93 3msp s ASP 56 N -1.69 -0.79 0.38 4.85 1.01 -0.87 -4.08 116.67 115.49 3msp s ASP 56 Ca 0.26 1.42 -0.25 0.00 0.71 0.00 0.00 52.55 54.69 3msp s ASP 56 Cb -0.13 1.39 -0.09 0.00 1.01 0.00 0.00 42.92 45.10 3msp s ASP 56 CO 0.15 -0.24 1.10 -2.16 0.21 0.00 0.00 175.17 174.23 3msp s PRO 57 N 0.82 4.19 0.00 8.23 0.04 -1.26 -1.62 135.00 145.40 3msp s PRO 57 Ca -0.04 1.66 0.24 0.00 0.04 0.00 0.00 61.00 62.91 3msp s PRO 57 Cb -0.05 -2.67 1.26 0.00 0.04 0.00 0.00 34.50 33.08 3msp s PRO 57 CO -0.06 -0.15 1.81 -0.35 0.04 0.00 0.00 177.00 178.28 3msp n PRO 58 N 0.15 0.41 -3.58 0.56 -0.04 -1.26 -4.80 135.00 126.45 3msp n PRO 58 Ca 0.04 0.05 -0.05 0.00 -0.04 0.00 0.00 63.50 63.50 3msp n PRO 58 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.21 1.98 3.77 0.00 0.00 -0.94 -5.00 105.19 104.79 3msp n GLY 60 Ca -0.04 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 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 5.18 -0.13 1.61 1.01 -1.26 -2.12 120.40 122.69 3msp s VAL 61 Ca 0.00 0.75 -0.03 0.00 0.00 0.00 0.00 61.98 62.70 3msp s VAL 61 Cb 0.00 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3msp s VAL 61 CO 0.00 0.45 -0.04 -0.22 0.00 0.00 0.00 175.10 175.30 3msp s LEU 62 N -0.13 3.29 0.61 3.92 2.96 -0.88 -4.93 118.68 123.51 3msp s LEU 62 Ca 0.22 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 54.02 3msp s LEU 62 Cb -0.15 -1.78 0.04 0.00 0.50 0.00 0.00 46.19 44.80 3msp s LEU 62 CO 0.09 0.23 0.88 -1.81 -1.32 0.00 0.00 176.35 174.42 3msp s ASP 63 N 0.01 5.22 -0.15 3.68 1.11 -1.26 -1.97 116.67 123.31 3msp s ASP 63 Ca 0.01 0.34 -0.29 0.00 0.18 0.00 0.00 52.55 52.79 3msp s ASP 63 Cb -0.13 -1.20 -0.06 0.00 1.07 0.00 0.00 42.92 42.61 3msp s ASP 63 CO 0.03 -1.26 2.03 -2.16 1.18 0.00 0.00 175.17 174.99 3msp s PRO 64 N -4.97 3.53 -0.82 8.23 0.04 -1.26 -1.74 135.00 138.01 3msp s PRO 64 Ca 0.57 2.10 -0.00 0.00 0.04 0.00 0.00 61.00 63.70 3msp s PRO 64 Cb -0.10 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.18 3msp s PRO 64 CO 0.42 -1.65 0.05 1.17 0.04 0.00 0.00 177.00 177.03 3msp n LYS 65 N 8.23 -1.04 -3.90 4.56 0.00 -0.28 -5.02 118.16 120.72 3msp n LYS 65 Ca 0.25 0.47 -0.32 0.00 0.00 0.00 0.00 58.31 58.71 3msp n LYS 65 Cb 0.44 -4.48 -0.04 0.00 0.00 0.00 0.00 35.03 30.95 3msp n LYS 65 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3msp s GLU 66 N -4.59 3.45 -0.19 1.64 2.02 -0.71 -4.84 118.70 115.49 3msp s GLU 66 Ca 0.02 -0.36 -0.01 0.00 0.02 0.00 0.00 54.97 54.64 3msp s GLU 66 Cb -0.01 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.17 3msp s GLU 66 CO 0.03 0.63 -0.12 0.15 0.02 0.00 0.00 175.26 175.96 3msp s LYS 67 N -2.28 3.22 0.04 1.61 1.02 -1.26 -2.02 119.74 120.07 3msp s LYS 67 Ca 0.32 -0.72 0.05 0.00 0.02 0.00 0.00 55.97 55.64 3msp s LYS 67 Cb -0.13 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 3msp s LYS 67 CO 0.24 -0.13 -0.10 0.54 -0.92 0.00 0.00 175.35 174.99 3msp s VAL 68 N 1.20 3.42 0.10 3.17 0.11 -0.75 -4.98 120.40 122.67 3msp s VAL 68 Ca 0.02 -0.99 -0.08 0.00 -2.93 0.00 0.00 61.98 58.00 3msp s VAL 68 Cb -0.14 -2.51 -0.06 0.00 -1.53 0.00 0.00 36.38 32.14 3msp s VAL 68 CO -0.05 0.30 0.39 -0.76 -3.33 0.00 0.00 175.10 171.65 3msp s LEU 69 N -1.65 4.31 0.14 2.54 1.43 -1.26 -2.17 118.68 122.02 3msp s LEU 69 Ca 0.18 0.71 0.06 0.00 -1.03 0.00 0.00 54.13 54.04 3msp s LEU 69 Cb -0.11 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 3msp s LEU 69 CO 0.09 0.12 -0.13 -0.32 0.23 0.00 0.00 176.35 176.34 3msp s MET 70 N -2.22 1.08 -0.04 1.70 1.75 -0.55 -4.59 119.30 116.43 3msp s MET 70 Ca 0.36 -1.35 -0.02 0.00 -1.25 0.00 0.00 55.69 53.43 3msp s MET 70 Cb -0.13 -0.87 0.03 0.00 2.84 0.00 0.00 34.83 36.70 3msp s MET 70 CO 0.20 0.15 0.07 0.00 -0.65 0.00 0.00 175.02 174.79 3msp s ALA 71 N -2.59 0.15 -0.27 4.11 0.00 -0.64 -1.82 121.76 120.70 3msp s ALA 71 Ca 0.13 0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.31 3msp s ALA 71 Cb -0.02 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.56 3msp s ALA 71 CO 0.03 -0.41 0.00 0.54 0.00 0.00 0.00 175.76 175.92 3msp s VAL 72 N 1.93 3.40 -0.20 0.00 0.11 -0.95 -2.04 120.40 122.63 3msp s VAL 72 Ca 0.01 -0.83 -0.10 0.00 -2.93 0.00 0.00 61.98 58.13 3msp s VAL 72 Cb -0.12 -2.72 -0.05 0.00 -1.53 0.00 0.00 36.38 31.96 3msp s VAL 72 CO -0.03 0.17 0.13 -0.44 -3.33 0.00 0.00 175.10 171.59 3msp s SER 73 N 1.41 6.15 -0.14 3.54 0.01 -0.88 -2.04 113.70 121.76 3msp s SER 73 Ca 0.02 0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.49 3msp s SER 73 Cb -0.17 -2.08 -0.01 0.00 0.21 0.00 0.00 66.02 63.97 3msp s SER 73 CO -0.01 0.16 -0.16 0.00 0.41 0.00 0.00 173.24 173.64 3msp s ASP 75 N 0.60 7.05 0.91 0.00 1.11 -1.06 -3.07 116.67 122.20 3msp s ASP 75 Ca -0.09 1.76 -0.10 0.00 0.18 0.00 0.00 52.55 54.29 3msp s ASP 75 Cb -0.16 -2.56 0.14 0.00 1.07 0.00 0.00 42.92 41.42 3msp s ASP 75 CO 0.03 -0.28 1.12 0.42 1.18 0.00 0.00 175.17 177.64 3msp s THR 76 N -1.97 2.32 -0.01 -1.27 -4.23 -1.26 -4.92 115.64 104.30 3msp s THR 76 Ca 0.58 0.10 -0.16 0.00 -1.18 0.00 0.00 61.69 61.03 3msp s THR 76 Cb -0.13 -2.24 0.05 0.00 1.34 0.00 0.00 72.50 71.53 3msp s THR 76 CO 0.17 -0.14 0.75 2.22 -0.54 0.00 0.00 174.62 177.08 3msp n PHE 77 N -4.15 -0.30 -3.58 3.99 -1.74 -0.96 -5.03 117.46 105.70 3msp n PHE 77 Ca 0.10 -0.42 -0.41 0.00 -0.56 0.00 0.00 57.45 56.16 3msp n PHE 77 Cb 0.53 0.19 -0.11 0.00 1.52 0.00 0.00 39.48 41.61 3msp n PHE 77 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3msp s ASN 78 N -2.65 5.76 -0.12 5.98 2.20 -1.26 -4.68 114.94 120.16 3msp s ASN 78 Ca 0.18 -1.13 0.09 0.00 -0.94 0.00 0.00 52.86 51.05 3msp s ASN 78 Cb -0.00 -2.03 0.46 0.00 -2.00 0.00 0.00 41.25 37.67 3msp s ASN 78 CO -0.00 -0.44 1.22 0.00 -2.94 0.00 0.00 177.10 174.94 3msp n ALA 79 N 5.00 3.18 -0.01 3.54 0.00 -1.26 -3.86 120.51 127.10 3msp n ALA 79 Ca -0.11 -1.04 -0.19 0.00 0.00 0.00 0.00 53.44 52.09 3msp n ALA 79 Cb 0.45 -1.06 -0.14 0.00 0.00 0.00 0.00 19.45 18.70 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 0.40 1.04 -2.53 0.00 0.00 -1.26 -4.53 120.51 113.64 3msp n ALA 80 Ca 0.16 -0.68 -0.13 0.00 0.00 0.00 0.00 53.44 52.78 3msp n ALA 80 Cb 0.73 -0.64 0.03 0.00 0.00 0.00 0.00 19.45 19.58 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 -3.38 1.72 -4.31 0.00 -2.24 -1.26 -5.08 114.28 99.73 3msp n THR 81 Ca -0.31 -3.65 -0.19 0.00 -2.27 0.00 0.00 64.05 57.62 3msp n THR 81 Cb 1.05 0.06 -0.09 0.00 -2.10 0.00 0.00 70.33 69.25 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 -3.54 1.68 0.21 -0.78 0.41 -1.25 -5.10 118.70 110.34 3msp s GLU 82 Ca 0.37 -1.97 -0.09 0.00 -0.41 0.00 0.00 54.97 52.86 3msp s GLU 82 Cb 0.39 0.14 -0.07 0.00 -1.78 0.00 0.00 34.13 32.81 3msp s GLU 82 CO -0.03 -0.57 0.53 -0.51 -0.49 0.00 0.00 175.26 174.19 3msp s ASP 83 N -3.38 6.62 -0.01 -0.19 1.01 -1.26 -4.97 116.67 114.50 3msp s ASP 83 Ca 0.38 0.89 0.24 0.00 0.71 0.00 0.00 52.55 54.77 3msp s ASP 83 Cb 0.03 -2.22 0.40 0.00 1.01 0.00 0.00 42.92 42.15 3msp s ASP 83 CO 0.23 -0.05 1.16 0.18 0.21 0.00 0.00 175.17 176.90 3msp n LEU 84 N -0.05 0.98 -1.13 1.23 4.77 -1.26 -4.82 117.00 116.72 3msp n LEU 84 Ca -0.00 -1.99 0.02 0.00 -0.03 0.00 0.00 56.01 54.01 3msp n LEU 84 Cb 0.52 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.61 3msp n LEU 84 CO 0.45 0.51 0.14 0.59 -1.33 0.00 0.00 177.39 177.75 3msp n ASN 85 N 0.42 0.56 -0.00 -1.43 3.02 -1.26 -4.49 115.26 112.08 3msp n ASN 85 Ca 0.06 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 3msp n ASN 85 Cb 1.11 -0.23 -0.00 0.00 -0.61 0.00 0.00 39.78 40.05 3msp n ASN 85 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3msp n ASN 86 N 0.30 1.24 -4.66 6.41 3.02 -1.26 -5.00 115.26 115.32 3msp n ASN 86 Ca 0.02 -0.38 -0.43 0.00 -0.03 0.00 0.00 54.58 53.76 3msp n ASN 86 Cb 0.97 1.01 -0.02 0.00 -0.61 0.00 0.00 39.78 41.12 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 -1.30 7.07 -0.14 6.41 1.11 -1.26 -4.88 116.67 123.67 3msp s ASP 87 Ca 0.00 1.34 -0.10 0.00 0.18 0.00 0.00 52.55 53.97 3msp s ASP 87 Cb 0.00 -2.52 0.05 0.00 1.07 0.00 0.00 42.92 41.51 3msp s ASP 87 CO 0.02 -0.63 0.36 0.00 1.18 0.00 0.00 175.17 176.10 3msp s ARG 88 N 3.07 0.37 0.38 8.23 1.70 -1.26 -2.07 118.95 129.37 3msp s ARG 88 Ca 0.43 0.61 0.05 0.00 -0.47 0.00 0.00 55.73 56.35 3msp s ARG 88 Cb -0.15 0.06 -0.00 0.00 -0.57 0.00 0.00 34.95 34.28 3msp s ARG 88 CO 0.07 -0.11 0.54 0.42 -1.08 0.00 0.00 175.30 175.14 3msp s ILE 89 N 0.83 3.92 -0.08 4.99 1.01 -0.92 -2.92 121.20 128.04 3msp s ILE 89 Ca -0.05 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.71 3msp s ILE 89 Cb -0.06 -3.38 0.03 0.00 0.01 0.00 0.00 42.46 39.06 3msp s ILE 89 CO -0.06 -0.18 0.02 -0.89 0.00 0.00 0.00 174.94 173.83 3msp s THR 90 N -2.30 0.25 -0.30 2.92 2.01 0.17 -1.74 115.64 116.65 3msp s THR 90 Ca 0.47 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.60 3msp s THR 90 Cb -0.10 -0.48 0.06 0.00 0.01 0.00 0.00 72.50 71.99 3msp s THR 90 CO 0.33 0.18 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.79 3msp s ILE 91 N 2.02 2.71 0.22 1.82 1.09 -0.46 -1.86 121.20 126.73 3msp s ILE 91 Ca 0.04 -1.56 0.10 0.00 -1.10 0.00 0.00 60.65 58.13 3msp s ILE 91 Cb -0.13 -2.61 -0.04 0.00 -1.06 0.00 0.00 42.46 38.62 3msp s ILE 91 CO -0.05 -0.14 -0.08 -1.83 -0.10 0.00 0.00 174.94 172.73 3msp s GLU 92 N 1.18 2.07 -0.19 2.79 -1.05 -1.04 -1.18 118.70 121.27 3msp s GLU 92 Ca -0.05 -1.38 -0.20 0.00 -0.15 0.00 0.00 54.97 53.19 3msp s GLU 92 Cb -0.20 -2.11 0.05 0.00 -0.44 0.00 0.00 34.13 31.44 3msp s GLU 92 CO -0.03 0.40 0.56 1.67 0.95 0.00 0.00 175.26 178.82 3msp s TRP 93 N -1.98 -0.61 0.05 4.83 -2.14 -0.77 -1.74 118.94 116.58 3msp s TRP 93 Ca 0.27 1.44 0.00 0.00 2.66 0.00 0.00 56.10 60.48 3msp s TRP 93 Cb -0.08 0.22 -0.03 0.00 -3.10 0.00 0.00 33.47 30.48 3msp s TRP 93 CO 0.16 -0.32 -0.04 -0.08 -2.66 0.00 0.00 176.95 174.00 3msp s THR 94 N 0.13 0.32 0.10 0.66 -1.32 -0.97 -2.47 115.64 112.09 3msp s THR 94 Ca -0.01 -1.38 -0.31 0.00 -1.21 0.00 0.00 61.69 58.78 3msp s THR 94 Cb -0.04 -0.94 -0.08 0.00 -1.51 0.00 0.00 72.50 69.93 3msp s THR 94 CO 0.02 -0.69 1.45 0.20 -2.21 0.00 0.00 174.62 173.39 3msp s ASN 95 N -2.18 6.76 0.30 8.08 -0.87 -1.26 -1.19 114.94 124.58 3msp s ASN 95 Ca -0.03 2.36 -0.29 0.00 -1.57 0.00 0.00 52.86 53.33 3msp s ASN 95 Cb -0.02 -2.58 -0.10 0.00 -0.02 0.00 0.00 41.25 38.53 3msp s ASN 95 CO -0.04 -0.72 1.21 0.42 -2.57 0.00 0.00 177.10 175.40 3msp s THR 96 N 1.45 3.08 1.02 1.60 -4.23 -1.11 -4.88 115.64 112.57 3msp s THR 96 Ca 0.66 1.08 -0.17 0.00 -1.18 0.00 0.00 61.69 62.08 3msp s THR 96 Cb -0.38 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 69.76 3msp s THR 96 CO 0.30 0.26 -0.21 -2.65 -0.54 0.00 0.00 174.62 171.77 3msp n PRO 97 N 1.04 -0.59 -1.53 3.99 -0.02 -1.26 -4.64 135.00 131.98 3msp n PRO 97 Ca -0.00 -0.15 -0.37 0.00 -2.02 0.00 0.00 63.50 60.95 3msp n PRO 97 Cb 0.43 -1.53 -0.07 0.00 -0.02 0.00 0.00 33.50 32.31 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 0.15 1.61 -3.57 2.55 8.00 -1.26 -1.56 116.55 122.47 3msp n ASP 98 Ca 0.02 -0.31 -0.21 0.00 0.71 0.00 0.00 54.79 55.00 3msp n ASP 98 Cb 0.60 -1.36 0.07 0.00 -0.02 0.00 0.00 41.12 40.41 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 6.18 -0.44 0.00 0.44 0.00 -1.26 -4.96 105.19 105.15 3msp n GLY 99 Ca 0.47 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.66 3msp n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3msp n ALA 100 N -4.53 0.00 -3.60 4.61 0.00 -0.60 -5.03 120.51 111.36 3msp n ALA 100 Ca -0.15 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.30 3msp n ALA 100 Cb 0.62 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 20.07 3msp n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3msp s ALA 101 N -2.14 -2.34 -1.34 0.00 0.00 -1.26 -5.05 121.76 109.63 3msp s ALA 101 Ca 0.00 1.36 -0.11 0.00 0.00 0.00 0.00 51.96 53.21 3msp s ALA 101 Cb 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 23.12 23.21 3msp s ALA 101 CO 0.00 -0.82 1.98 1.63 0.00 0.00 0.00 175.76 178.54 3msp n LYS 102 N -0.28 3.37 0.00 0.00 4.01 -1.26 -4.78 118.16 119.22 3msp n LYS 102 Ca -0.03 -3.24 0.00 0.00 -0.51 0.00 0.00 58.31 54.53 3msp n LYS 102 Cb 0.60 -3.05 0.00 0.00 -0.51 0.00 0.00 35.03 32.07 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 4.68 0.00 -1.68 1.97 6.02 -1.26 -5.04 117.38 122.07 3msp n GLN 103 Ca 0.44 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 57.03 3msp n GLN 103 Cb 0.37 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.66 3msp n GLN 103 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3msp n PHE 104 N 0.00 1.75 -4.14 1.08 -0.00 -1.26 -5.01 117.46 109.88 3msp n PHE 104 Ca 0.00 0.48 -0.12 0.00 -0.00 0.00 0.00 57.45 57.81 3msp n PHE 104 Cb 0.00 -2.30 -0.11 0.00 -0.00 0.00 0.00 39.48 37.07 3msp n PHE 104 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 3msp s ARG 105 N -2.44 0.75 -0.32 -4.13 3.52 -1.26 -5.04 118.95 110.03 3msp s ARG 105 Ca 0.67 -1.14 0.03 0.00 -0.13 0.00 0.00 55.73 55.15 3msp s ARG 105 Cb -0.48 -0.29 0.47 0.00 -1.56 0.00 0.00 34.95 33.09 3msp s ARG 105 CO 0.54 0.02 1.66 -2.13 -0.81 0.00 0.00 175.30 174.58 3msp n ARG 106 N 0.48 1.89 -0.02 5.12 0.63 -1.26 -4.02 116.66 119.49 3msp n ARG 106 Ca -0.16 -2.13 -0.02 0.00 -0.92 0.00 0.00 57.85 54.62 3msp n ARG 106 Cb 0.58 -1.84 -0.02 0.00 0.45 0.00 0.00 32.46 31.64 3msp n ARG 106 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 3msp n GLU 107 N -0.65 2.09 0.23 -0.14 0.28 -1.26 -4.28 120.64 116.91 3msp n GLU 107 Ca 0.42 0.01 0.10 0.00 -0.16 0.00 0.00 57.16 57.53 3msp n GLU 107 Cb 1.31 -1.08 0.66 0.00 1.43 0.00 0.00 31.44 33.76 3msp n GLU 107 CO 0.00 0.00 0.00 -1.49 -0.16 0.00 0.00 177.13 175.48 3msp h TRP 108 N 0.00 0.00 0.11 -1.84 6.55 -1.93 -2.59 115.95 116.25 3msp h TRP 108 Ca -0.09 0.00 -0.26 0.00 0.95 0.00 0.00 58.89 59.50 3msp h TRP 108 Cb 1.17 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.47 3msp h TRP 108 CO 0.00 0.00 -1.31 0.74 -1.05 0.00 0.00 178.44 176.82 3msp h PHE 109 N 0.00 0.42 -1.41 0.49 -1.00 -1.82 -3.37 116.94 110.24 3msp h PHE 109 Ca 0.03 -0.31 -0.65 0.00 2.81 0.00 0.00 57.97 59.86 3msp h PHE 109 Cb 0.13 -0.02 -0.19 0.00 3.61 0.00 0.00 35.95 39.48 3msp h PHE 109 CO 0.00 1.51 1.11 1.04 -1.61 0.00 0.00 178.31 180.36 3msp n GLN 110 N -3.98 3.40 0.00 1.51 1.13 -1.01 -4.89 117.38 113.54 3msp n GLN 110 Ca -0.24 -3.14 0.00 0.00 -1.94 0.00 0.00 57.00 51.68 3msp n GLN 110 Cb 0.87 -2.33 0.00 0.00 0.11 0.00 0.00 30.24 28.89 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 0.70 2.50 3.77 1.08 0.00 -1.02 -4.88 105.19 107.34 3msp n GLY 111 Ca 0.53 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 3msp n GLY 111 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3msp s ASP 112 N 2.00 5.21 0.00 1.61 -4.77 -1.26 -4.89 116.67 114.57 3msp s ASP 112 Ca 0.00 2.00 0.00 0.00 -3.30 0.00 0.00 52.55 51.25 3msp s ASP 112 Cb 0.00 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 3msp s ASP 112 CO 0.00 -1.56 0.00 0.61 0.70 0.00 0.00 175.17 174.92 3msp n GLY 113 N -0.51 0.24 2.71 2.12 0.00 -1.26 -4.90 105.19 103.59 3msp n GLY 113 Ca 0.10 -2.27 -0.27 0.00 0.00 0.00 0.00 46.02 43.59 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 0.00 0.51 -0.14 1.61 -1.94 -1.26 -5.13 119.30 112.95 3msp s MET 114 Ca 0.00 -0.28 -0.02 0.00 -1.71 0.00 0.00 55.69 53.69 3msp s MET 114 Cb 0.00 -1.90 -0.02 0.00 2.01 0.00 0.00 34.83 34.91 3msp s MET 114 CO 0.00 -0.61 -0.08 0.54 -0.01 0.00 0.00 175.02 174.86 3msp s VAL 115 N 1.94 3.48 0.15 -6.03 0.11 -1.26 -4.25 120.40 114.54 3msp s VAL 115 Ca 0.00 -0.51 0.04 0.00 -2.93 0.00 0.00 61.98 58.58 3msp s VAL 115 Cb -0.16 -2.49 -0.04 0.00 -1.53 0.00 0.00 36.38 32.16 3msp s VAL 115 CO -0.08 0.52 0.17 -0.60 -3.33 0.00 0.00 175.10 171.78 3msp s ARG 116 N 0.26 3.05 0.01 1.54 3.52 -1.03 -4.98 118.95 121.32 3msp s ARG 116 Ca -0.06 -0.78 0.03 0.00 -0.13 0.00 0.00 55.73 54.79 3msp s ARG 116 Cb -0.15 -2.74 -0.01 0.00 -1.56 0.00 0.00 34.95 30.49 3msp s ARG 116 CO 0.04 0.50 -0.10 0.50 -0.81 0.00 0.00 175.30 175.43 3msp s ARG 117 N -3.08 0.78 0.24 5.12 3.52 -1.26 -1.85 118.95 122.42 3msp s ARG 117 Ca 0.32 -0.45 0.07 0.00 -0.13 0.00 0.00 55.73 55.53 3msp s ARG 117 Cb -0.11 -0.74 -0.05 0.00 -1.56 0.00 0.00 34.95 32.49 3msp s ARG 117 CO 0.25 0.20 -0.08 0.15 -0.81 0.00 0.00 175.30 175.00 3msp s LYS 118 N -0.51 1.44 -0.04 5.12 1.02 -0.33 -4.95 119.74 121.49 3msp s LYS 118 Ca 0.02 -1.70 -0.02 0.00 0.02 0.00 0.00 55.97 54.30 3msp s LYS 118 Cb -0.05 -1.07 0.03 0.00 -0.52 0.00 0.00 37.83 36.22 3msp s LYS 118 CO 0.00 0.08 0.08 -0.80 -0.92 0.00 0.00 175.35 173.78 3msp s ASN 119 N -3.38 0.60 -0.28 2.83 0.01 -1.26 -1.35 114.94 112.11 3msp s ASN 119 Ca 0.27 0.14 -0.08 0.00 -0.71 0.00 0.00 52.86 52.48 3msp s ASN 119 Cb 0.02 -0.01 -0.01 0.00 0.41 0.00 0.00 41.25 41.67 3msp s ASN 119 CO 0.09 -0.20 0.09 -0.76 -1.51 0.00 0.00 177.10 174.82 3msp s LEU 120 N 1.74 3.74 0.25 0.60 1.02 -0.71 -4.92 118.68 120.40 3msp s LEU 120 Ca -0.01 -0.45 -0.30 0.00 0.02 0.00 0.00 54.13 53.39 3msp s LEU 120 Cb -0.12 -1.93 -0.09 0.00 0.02 0.00 0.00 46.19 44.07 3msp s LEU 120 CO -0.04 -0.13 1.23 -2.16 0.02 0.00 0.00 176.35 175.27 3msp s PRO 121 N 1.58 4.47 -0.12 1.29 0.04 -1.26 -2.16 135.00 138.84 3msp s PRO 121 Ca 0.05 1.99 -0.04 0.00 0.04 0.00 0.00 61.00 63.04 3msp s PRO 121 Cb -0.16 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 3msp s PRO 121 CO 0.04 -0.08 0.03 0.42 0.04 0.00 0.00 177.00 177.45 3msp s ILE 122 N -0.57 4.50 0.20 0.56 -1.09 -0.88 -2.42 121.20 121.50 3msp s ILE 122 Ca 0.51 -0.16 0.09 0.00 -2.23 0.00 0.00 60.65 58.85 3msp s ILE 122 Cb -0.35 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.54 3msp s ILE 122 CO 0.42 0.56 -0.17 -1.61 -1.23 0.00 0.00 174.94 172.91 3msp s GLU 123 N -0.41 1.36 -0.40 2.79 2.02 -0.78 -4.72 118.70 118.55 3msp s GLU 123 Ca 0.08 -1.54 0.04 0.00 0.02 0.00 0.00 54.97 53.57 3msp s GLU 123 Cb -0.12 -1.31 0.11 0.00 0.10 0.00 0.00 34.13 32.91 3msp s GLU 123 CO 0.02 0.24 0.12 0.71 0.02 0.00 0.00 175.26 176.37 3msp s TYR 124 N -2.51 3.48 -1.24 1.61 1.51 -1.26 -0.76 117.35 118.18 3msp s TYR 124 Ca 0.21 -3.01 -0.19 0.00 -1.01 0.00 0.00 57.07 53.07 3msp s TYR 124 Cb -0.03 -2.83 0.05 0.00 -0.11 0.00 0.00 41.96 39.04 3msp s TYR 124 CO 0.08 -0.88 1.70 1.21 -1.11 0.00 0.00 175.55 176.55 3msp s ASN 125 N 0.54 6.64 0.00 2.29 2.47 -0.83 -4.99 114.94 121.06 3msp s ASN 125 Ca 0.13 -2.19 0.02 0.00 0.42 0.00 0.00 52.86 51.23 3msp s ASN 125 Cb -0.21 -2.58 0.11 0.00 -1.45 0.00 0.00 41.25 37.12 3msp s ASN 125 CO -0.06 -1.38 0.60 0.18 -3.72 0.00 0.00 177.10 172.72