#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 4.21 -0.06 0.00 -0.21 -1.26 -5.08 119.66 117.27 3msp s GLN 2 Ca 0.00 0.66 0.04 0.00 0.02 0.00 0.00 55.36 56.07 3msp s GLN 2 Cb 0.00 -3.29 0.00 0.00 1.00 0.00 0.00 33.01 30.72 3msp s GLN 2 CO 0.00 0.50 -0.17 0.45 -2.12 0.00 0.00 175.29 173.95 3msp s SER 3 N -0.60 2.19 0.00 5.90 0.15 -1.26 -5.14 113.70 114.95 3msp s SER 3 Ca 0.29 -0.37 0.06 0.00 0.70 0.00 0.00 55.95 56.63 3msp s SER 3 Cb -0.18 -0.81 -0.02 0.00 -1.71 0.00 0.00 66.02 63.30 3msp s SER 3 CO 0.17 0.12 -0.20 0.68 1.20 0.00 0.00 173.24 175.20 3msp s VAL 4 N 0.29 1.59 0.75 4.45 -7.23 -1.26 -5.14 120.40 113.85 3msp s VAL 4 Ca -0.10 -0.94 -0.11 0.00 -1.81 0.00 0.00 61.98 59.02 3msp s VAL 4 Cb -0.14 -1.34 0.05 0.00 0.56 0.00 0.00 36.38 35.51 3msp s VAL 4 CO 0.04 0.38 1.09 -2.16 -0.31 0.00 0.00 175.10 174.13 3msp s PRO 5 N -0.66 2.40 -0.21 4.82 0.04 -1.26 -4.96 135.00 135.16 3msp s PRO 5 Ca 0.08 1.14 -0.29 0.00 0.04 0.00 0.00 61.00 61.96 3msp s PRO 5 Cb -0.08 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 3msp s PRO 5 CO -0.00 -1.53 1.52 -1.25 0.04 0.00 0.00 177.00 175.77 3msp s PRO 6 N -4.89 3.92 -0.22 0.56 0.04 -1.26 -4.93 135.00 128.21 3msp s PRO 6 Ca 0.61 1.64 -0.33 0.00 0.04 0.00 0.00 61.00 62.95 3msp s PRO 6 Cb -0.17 -3.97 -0.10 0.00 0.04 0.00 0.00 34.50 30.30 3msp s PRO 6 CO 0.55 -1.14 2.07 0.41 0.04 0.00 0.00 177.00 178.93 3msp n GLY 7 N 4.40 0.98 3.57 0.56 0.00 -1.26 -4.88 105.19 108.56 3msp n GLY 7 Ca 0.17 0.87 -0.40 0.00 0.00 0.00 0.00 46.02 46.67 3msp n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3msp n ASP 8 N 8.94 0.47 -4.61 1.61 2.03 -1.26 -4.46 116.55 119.27 3msp n ASP 8 Ca 0.31 0.92 -0.31 0.00 0.52 0.00 0.00 54.79 56.23 3msp n ASP 8 Cb 0.30 -1.30 -0.10 0.00 -0.72 0.00 0.00 41.12 39.30 3msp n ASP 8 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3msp s ILE 9 N -1.43 3.68 -0.03 5.18 -4.36 -1.26 -2.41 121.20 120.57 3msp s ILE 9 Ca 0.67 -0.89 -0.11 0.00 -0.26 0.00 0.00 60.65 60.07 3msp s ILE 9 Cb -0.51 -2.65 -0.05 0.00 1.25 0.00 0.00 42.46 40.50 3msp s ILE 9 CO 0.54 0.30 0.31 0.20 0.24 0.00 0.00 174.94 176.53 3msp s ASN 10 N -1.70 6.62 0.04 4.36 0.01 -0.76 -4.95 114.94 118.57 3msp s ASN 10 Ca 0.19 0.74 0.06 0.00 -0.71 0.00 0.00 52.86 53.14 3msp s ASN 10 Cb -0.11 -2.17 -0.02 0.00 0.41 0.00 0.00 41.25 39.36 3msp s ASN 10 CO 0.10 0.33 -0.17 0.42 -1.51 0.00 0.00 177.10 176.27 3msp s THR 11 N -1.13 1.38 -0.09 1.60 -4.23 -1.26 -1.88 115.64 110.02 3msp s THR 11 Ca 0.23 -1.10 -0.02 0.00 -1.18 0.00 0.00 61.69 59.62 3msp s THR 11 Cb -0.14 -1.22 0.03 0.00 1.34 0.00 0.00 72.50 72.51 3msp s THR 11 CO 0.11 0.10 0.01 -1.10 -0.54 0.00 0.00 174.62 173.20 3msp s GLN 12 N -1.16 0.61 0.79 3.99 -0.21 -0.70 -2.53 119.66 120.45 3msp s GLN 12 Ca 0.04 0.01 -0.13 0.00 0.02 0.00 0.00 55.36 55.31 3msp s GLN 12 Cb -0.08 -1.19 0.07 0.00 1.00 0.00 0.00 33.01 32.81 3msp s GLN 12 CO 0.02 -0.37 1.15 -2.14 -2.12 0.00 0.00 175.29 171.83 3msp s PRO 13 N 1.95 1.91 0.33 2.91 0.02 -1.26 -2.55 135.00 138.31 3msp s PRO 13 Ca 0.04 1.52 0.06 0.00 0.02 0.00 0.00 61.00 62.65 3msp s PRO 13 Cb -0.13 -1.83 0.59 0.00 0.02 0.00 0.00 34.50 33.14 3msp s PRO 13 CO -0.06 -1.96 1.81 1.03 -0.33 0.00 0.00 177.00 177.49 3msp h SER 14 N -0.91 0.33 0.00 2.53 0.87 -1.91 -3.41 113.55 111.05 3msp h SER 14 Ca -0.45 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 59.95 3msp h SER 14 Cb 1.27 -0.09 -0.08 0.00 -0.44 0.00 0.00 62.40 63.05 3msp h SER 14 CO 0.48 0.56 0.26 1.67 -0.53 0.00 0.00 176.83 179.26 3msp n GLN 15 N -4.18 0.03 -3.15 2.24 7.27 -1.26 -4.91 117.38 113.43 3msp n GLN 15 Ca -0.00 -0.54 0.05 0.00 0.07 0.00 0.00 57.00 56.58 3msp n GLN 15 Cb 0.35 -0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.98 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 0.01 0.16 0.11 3.69 -2.85 -1.26 -4.37 119.74 115.23 3msp s LYS 16 Ca 0.03 0.27 0.05 0.00 -1.00 0.00 0.00 55.97 55.32 3msp s LYS 16 Cb 0.05 0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 3msp s LYS 16 CO -0.03 -0.20 -0.12 -1.50 0.10 0.00 0.00 175.35 173.60 3msp s ILE 17 N 2.96 1.15 -0.33 3.79 2.07 -1.06 -4.65 121.20 125.13 3msp s ILE 17 Ca 0.02 -1.70 -0.01 0.00 -1.41 0.00 0.00 60.65 57.55 3msp s ILE 17 Cb -0.09 -1.47 0.11 0.00 0.13 0.00 0.00 42.46 41.14 3msp s ILE 17 CO -0.12 -0.50 0.15 -0.69 -1.91 0.00 0.00 174.94 171.87 3msp s VAL 18 N -2.34 0.55 -0.53 4.00 1.01 -1.26 -0.70 120.40 121.13 3msp s VAL 18 Ca 0.08 -1.48 -0.26 0.00 0.00 0.00 0.00 61.98 60.31 3msp s VAL 18 Cb -0.04 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 3msp s VAL 18 CO 0.02 -0.80 2.23 -0.36 0.00 0.00 0.00 175.10 176.19 3msp s PHE 19 N 1.42 1.26 0.58 5.22 0.08 -0.31 -4.73 117.98 121.49 3msp s PHE 19 Ca 0.13 1.31 -0.18 0.00 0.12 0.00 0.00 56.93 58.31 3msp s PHE 19 Cb -0.19 -3.75 -0.04 0.00 -0.57 0.00 0.00 43.02 38.47 3msp s PHE 19 CO -0.18 -2.47 1.13 -0.80 -0.10 0.00 0.00 175.22 172.79 3msp s ASN 20 N 10.86 5.54 1.08 1.36 0.01 -1.26 -2.42 114.94 130.11 3msp s ASN 20 Ca 0.88 2.13 -0.21 0.00 -0.71 0.00 0.00 52.86 54.95 3msp s ASN 20 Cb -0.16 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 38.96 3msp s ASN 20 CO 0.24 -1.34 -0.42 0.00 -1.51 0.00 0.00 177.10 174.07 3msp n ALA 21 N -1.61 -4.46 -1.98 0.60 0.00 0.10 -4.87 120.51 108.29 3msp n ALA 21 Ca 0.11 -1.32 -0.25 0.00 0.00 0.00 0.00 53.44 51.99 3msp n ALA 21 Cb 0.51 -1.28 0.05 0.00 0.00 0.00 0.00 19.45 18.74 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 -3.04 2.41 -0.16 0.00 0.04 -1.26 -5.04 135.00 127.95 3msp s PRO 22 Ca 0.49 -0.35 0.16 0.00 0.04 0.00 0.00 61.00 61.35 3msp s PRO 22 Cb -0.05 -2.27 0.52 0.00 0.04 0.00 0.00 34.50 32.74 3msp s PRO 22 CO 0.64 -1.00 1.42 0.66 0.04 0.00 0.00 177.00 178.76 3msp n TYR 23 N -2.71 0.96 0.44 0.56 4.01 -1.26 -4.40 117.16 114.76 3msp n TYR 23 Ca 0.07 -0.83 0.10 0.00 -0.16 0.00 0.00 57.90 57.08 3msp n TYR 23 Cb 0.60 -0.30 0.14 0.00 -0.31 0.00 0.00 39.34 39.47 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 -0.35 2.91 -1.32 7.72 -0.08 -1.26 -2.33 116.55 121.85 3msp n ASP 24 Ca 0.21 -1.86 -0.03 0.00 -1.51 0.00 0.00 54.79 51.60 3msp n ASP 24 Cb 0.86 -0.13 -0.01 0.00 2.34 0.00 0.00 41.12 44.19 3msp n ASP 24 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3msp n ASP 25 N 1.13 -0.18 -4.40 1.67 8.00 -1.26 -4.92 116.55 116.59 3msp n ASP 25 Ca 0.14 -1.31 -0.44 0.00 0.71 0.00 0.00 54.79 53.89 3msp n ASP 25 Cb 0.50 0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 41.87 3msp n ASP 25 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3msp s LYS 26 N -2.15 3.00 -0.26 -1.24 1.02 -1.26 -3.75 119.74 115.10 3msp s LYS 26 Ca 0.05 -1.26 -0.14 0.00 0.02 0.00 0.00 55.97 54.64 3msp s LYS 26 Cb 0.00 -4.12 -0.04 0.00 -0.52 0.00 0.00 37.83 33.15 3msp s LYS 26 CO 0.04 -1.04 0.34 -1.58 -0.92 0.00 0.00 175.35 172.18 3msp s HIS 27 N 1.79 3.27 -0.39 3.18 2.46 -1.20 -4.81 115.29 119.59 3msp s HIS 27 Ca 0.06 0.40 -0.09 0.00 0.47 0.00 0.00 55.06 55.89 3msp s HIS 27 Cb -0.23 -2.51 0.05 0.00 -0.13 0.00 0.00 32.58 29.76 3msp s HIS 27 CO 0.08 -0.15 0.21 0.99 -2.47 0.00 0.00 174.74 173.40 3msp s THR 28 N 1.80 4.25 -0.21 0.89 2.01 -1.26 -1.43 115.64 121.68 3msp s THR 28 Ca 0.14 -1.18 -0.13 0.00 0.31 0.00 0.00 61.69 60.83 3msp s THR 28 Cb -0.15 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 3msp s THR 28 CO 0.09 -0.36 0.27 -0.31 -0.69 0.00 0.00 174.62 173.62 3msp s TYR 29 N 1.46 3.37 0.14 4.92 1.51 -0.68 -4.77 117.35 123.29 3msp s TYR 29 Ca 0.02 0.44 -0.21 0.00 -1.01 0.00 0.00 57.07 56.31 3msp s TYR 29 Cb -0.21 -2.37 -0.07 0.00 -0.11 0.00 0.00 41.96 39.19 3msp s TYR 29 CO 0.04 0.08 0.67 -1.01 -1.11 0.00 0.00 175.55 174.21 3msp s HIS 30 N 1.03 3.80 0.18 2.71 3.76 -1.26 -1.48 115.29 124.03 3msp s HIS 30 Ca 0.13 1.41 0.08 0.00 -0.15 0.00 0.00 55.06 56.54 3msp s HIS 30 Cb -0.14 -2.61 -0.04 0.00 1.11 0.00 0.00 32.58 30.91 3msp s HIS 30 CO 0.05 0.51 -0.07 0.42 -0.85 0.00 0.00 174.74 174.80 3msp s ILE 31 N -1.22 3.33 -0.27 0.60 1.01 -0.61 -4.95 121.20 119.09 3msp s ILE 31 Ca 0.34 -1.61 -0.09 0.00 0.00 0.00 0.00 60.65 59.29 3msp s ILE 31 Cb -0.20 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 3msp s ILE 31 CO 0.22 -0.12 0.14 -0.54 0.00 0.00 0.00 174.94 174.64 3msp s LYS 32 N -2.88 3.75 0.06 2.79 1.02 -1.06 -2.11 119.74 121.31 3msp s LYS 32 Ca 0.26 -0.44 0.08 0.00 0.02 0.00 0.00 55.97 55.89 3msp s LYS 32 Cb -0.09 -3.52 -0.03 0.00 -0.52 0.00 0.00 37.83 33.67 3msp s LYS 32 CO 0.16 -0.22 -0.21 0.42 -0.92 0.00 0.00 175.35 174.59 3msp s ILE 33 N 1.69 2.61 0.08 2.17 1.01 -1.04 -1.72 121.20 125.99 3msp s ILE 33 Ca 0.06 -1.31 -0.10 0.00 0.00 0.00 0.00 60.65 59.31 3msp s ILE 33 Cb -0.16 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.22 3msp s ILE 33 CO 0.08 0.30 0.21 -0.89 0.00 0.00 0.00 174.94 174.64 3msp s THR 34 N -0.93 0.13 -0.29 2.92 2.01 -0.79 -1.22 115.64 117.47 3msp s THR 34 Ca 0.14 -1.03 -0.05 0.00 0.31 0.00 0.00 61.69 61.06 3msp s THR 34 Cb -0.10 -1.20 0.02 0.00 0.01 0.00 0.00 72.50 71.23 3msp s THR 34 CO 0.05 -0.57 0.03 0.21 -0.69 0.00 0.00 174.62 173.65 3msp s ASN 35 N -2.62 4.90 -0.25 3.53 3.04 -0.75 -1.83 114.94 120.96 3msp s ASN 35 Ca 0.02 -0.89 0.09 0.00 0.04 0.00 0.00 52.86 52.11 3msp s ASN 35 Cb 0.03 -1.80 0.64 0.00 -1.54 0.00 0.00 41.25 38.58 3msp s ASN 35 CO -0.09 -0.20 1.60 0.00 -3.04 0.00 0.00 177.10 175.37 3msp n ALA 36 N 4.77 4.09 -2.24 1.71 0.00 -1.01 -1.17 120.51 126.66 3msp n ALA 36 Ca -0.15 -1.83 0.00 0.00 0.00 0.00 0.00 53.44 51.47 3msp n ALA 36 Cb 0.47 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 0.08 3.23 0.24 0.00 0.00 -1.26 -4.73 105.19 102.76 3msp n GLY 37 Ca 0.31 -2.02 0.05 0.00 0.00 0.00 0.00 46.02 44.36 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 2.43 3.32 -0.02 0.00 -1.26 -4.28 105.19 110.39 3msp n GLY 38 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.37 1.07 0.68 1.61 0.52 -1.26 -4.84 118.95 115.35 3msp s ARG 39 Ca 0.14 -0.68 -0.17 0.00 -0.52 0.00 0.00 55.73 54.50 3msp s ARG 39 Cb 0.13 0.47 -0.01 0.00 0.52 0.00 0.00 34.95 36.06 3msp s ARG 39 CO 0.01 -0.42 1.07 0.54 0.02 0.00 0.00 175.30 176.53 3msp n ARG 40 N -0.19 0.74 -3.67 3.54 3.00 -1.26 -4.44 116.66 114.38 3msp n ARG 40 Ca -0.16 0.31 -0.10 0.00 -0.01 0.00 0.00 57.85 57.88 3msp n ARG 40 Cb 0.64 -2.31 -0.11 0.00 0.00 0.00 0.00 32.46 30.68 3msp n ARG 40 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 3msp s ILE 41 N -1.64 -0.50 0.89 0.55 -4.36 -0.84 -3.12 121.20 112.18 3msp s ILE 41 Ca 0.77 0.19 -0.12 0.00 -0.26 0.00 0.00 60.65 61.23 3msp s ILE 41 Cb -0.37 -0.59 0.13 0.00 1.25 0.00 0.00 42.46 42.88 3msp s ILE 41 CO 0.46 0.08 1.12 -0.83 0.24 0.00 0.00 174.94 176.02 3msp s GLY 42 N 2.39 1.59 -0.05 6.27 0.00 -0.68 -1.77 107.32 115.07 3msp s GLY 42 Ca -0.02 -0.41 -0.29 0.00 0.00 0.00 0.00 44.72 44.00 3msp s GLY 42 CO -0.11 0.12 0.87 0.66 0.00 0.00 0.00 173.10 174.63 3msp s TRP 43 N -3.20 -0.42 0.06 1.90 1.48 -0.33 -1.93 118.94 116.50 3msp s TRP 43 Ca 0.63 0.50 -0.08 0.00 -1.06 0.00 0.00 56.10 56.09 3msp s TRP 43 Cb -0.15 0.49 -0.00 0.00 -1.16 0.00 0.00 33.47 32.65 3msp s TRP 43 CO 0.54 -0.51 0.16 0.00 -4.06 0.00 0.00 176.95 173.08 3msp s ALA 44 N -2.22 -0.21 -0.05 2.67 0.00 -0.69 -1.86 121.76 119.41 3msp s ALA 44 Ca 0.00 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.52 3msp s ALA 44 Cb -0.01 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.44 3msp s ALA 44 CO -0.03 -0.40 -0.23 0.42 0.00 0.00 0.00 175.76 175.52 3msp s ILE 45 N -3.07 1.90 -0.06 0.00 -1.09 -0.61 -1.89 121.20 116.38 3msp s ILE 45 Ca -0.01 -0.99 -0.02 0.00 -2.23 0.00 0.00 60.65 57.40 3msp s ILE 45 Cb 0.01 -1.60 0.04 0.00 -1.58 0.00 0.00 42.46 39.33 3msp s ILE 45 CO -0.07 0.53 0.11 -1.59 -1.23 0.00 0.00 174.94 172.70 3msp s LYS 46 N -0.20 0.03 0.30 2.79 0.00 -1.03 -4.98 119.74 116.64 3msp s LYS 46 Ca -0.01 0.38 0.09 0.00 0.00 0.00 0.00 55.97 56.43 3msp s LYS 46 Cb -0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 37.83 37.40 3msp s LYS 46 CO 0.03 -0.22 0.06 0.95 0.00 0.00 0.00 175.35 176.16 3msp s THR 47 N 1.57 3.31 0.57 3.79 -4.23 -1.26 -1.69 115.64 117.70 3msp s THR 47 Ca -0.04 -1.81 0.35 0.00 -1.18 0.00 0.00 61.69 59.01 3msp s THR 47 Cb -0.12 -2.92 0.51 0.00 1.34 0.00 0.00 72.50 71.31 3msp s THR 47 CO -0.05 -0.30 1.70 0.71 -0.54 0.00 0.00 174.62 176.15 3msp h THR 48 N 1.74 0.27 -3.21 3.99 1.35 -1.89 -3.35 112.91 111.80 3msp h THR 48 Ca -0.44 0.00 -0.50 0.00 -0.55 0.00 0.00 66.41 64.92 3msp h THR 48 Cb 1.25 0.32 -0.37 0.00 -1.73 0.00 0.00 68.15 67.62 3msp h THR 48 CO 0.62 0.00 -0.79 0.20 -0.25 0.00 0.00 175.52 175.30 3msp s ASN 49 N -4.68 1.96 -0.02 5.36 -0.87 -1.26 -5.00 114.94 110.43 3msp s ASN 49 Ca -0.04 -0.23 0.14 0.00 -1.57 0.00 0.00 52.86 51.15 3msp s ASN 49 Cb 0.20 -0.71 0.43 0.00 -0.02 0.00 0.00 41.25 41.15 3msp s ASN 49 CO 0.70 -0.14 1.34 0.23 -2.57 0.00 0.00 177.10 176.67 3msp n MET 50 N 4.95 2.29 -0.01 -0.60 2.81 -1.26 -3.09 117.12 122.21 3msp n MET 50 Ca -0.11 -1.75 -0.05 0.00 -1.81 0.00 0.00 57.70 53.98 3msp n MET 50 Cb 0.50 -1.45 -0.02 0.00 -0.71 0.00 0.00 33.22 31.54 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 0.83 0.12 0.14 0.03 1.74 -1.26 -4.73 116.66 113.52 3msp n ARG 51 Ca 0.16 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 3msp n ARG 51 Cb 0.46 -0.71 0.14 0.00 -1.02 0.00 0.00 32.46 31.33 3msp n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3msp h ARG 52 N -0.22 0.00 -5.08 5.56 2.47 -1.97 -3.43 114.38 111.71 3msp h ARG 52 Ca -0.09 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 57.97 3msp h ARG 52 Cb 0.76 0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 28.78 3msp h ARG 52 CO -0.06 0.61 -0.78 -0.51 0.56 0.00 0.00 179.97 179.80 3msp s LEU 53 N -7.10 2.58 0.24 3.04 1.43 -1.18 -0.34 118.68 117.35 3msp s LEU 53 Ca 0.00 -0.47 0.11 0.00 -1.03 0.00 0.00 54.13 52.74 3msp s LEU 53 Cb 0.11 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 3msp s LEU 53 CO 0.75 0.02 -0.17 -0.55 0.23 0.00 0.00 176.35 176.63 3msp s SER 54 N 1.18 3.75 0.17 2.29 0.15 -0.90 -4.35 113.70 115.99 3msp s SER 54 Ca 0.02 -0.89 0.09 0.00 0.70 0.00 0.00 55.95 55.87 3msp s SER 54 Cb -0.14 -0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 63.72 3msp s SER 54 CO -0.04 0.06 -0.19 0.68 1.20 0.00 0.00 173.24 174.94 3msp s VAL 55 N -2.17 1.94 -0.30 4.45 -7.23 -1.26 -1.22 120.40 114.60 3msp s VAL 55 Ca 0.27 -1.94 -0.07 0.00 -1.81 0.00 0.00 61.98 58.43 3msp s VAL 55 Cb -0.06 -1.90 0.18 0.00 0.56 0.00 0.00 36.38 35.16 3msp s VAL 55 CO 0.14 -0.27 0.83 -0.62 -0.31 0.00 0.00 175.10 174.87 3msp s ASP 56 N -2.67 -0.93 0.28 4.85 -1.08 -0.66 -3.94 116.67 112.52 3msp s ASP 56 Ca 0.17 0.54 -0.29 0.00 -0.52 0.00 0.00 52.55 52.45 3msp s ASP 56 Cb -0.06 1.76 -0.09 0.00 -1.46 0.00 0.00 42.92 43.07 3msp s ASP 56 CO 0.07 -0.17 1.05 -2.16 0.52 0.00 0.00 175.17 174.48 3msp s PRO 57 N 2.91 4.65 0.45 4.34 0.04 -1.26 -1.08 135.00 145.04 3msp s PRO 57 Ca 0.10 1.67 0.23 0.00 0.04 0.00 0.00 61.00 63.05 3msp s PRO 57 Cb -0.12 -3.13 1.03 0.00 0.04 0.00 0.00 34.50 32.31 3msp s PRO 57 CO -0.17 0.26 1.88 -1.00 0.04 0.00 0.00 177.00 178.01 3msp h PRO 58 N 3.74 0.00 -3.68 0.56 0.13 -1.94 -3.46 132.00 127.35 3msp h PRO 58 Ca -0.46 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 3msp h PRO 58 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 3msp h PRO 58 CO 0.67 0.23 -0.09 0.00 -0.23 0.00 0.00 178.00 178.58 3msp n GLY 60 N -0.44 -0.79 3.05 0.00 0.00 -0.77 -4.99 105.19 101.24 3msp n GLY 60 Ca -0.02 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 3msp n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3msp s VAL 61 N -3.00 0.37 0.25 1.61 1.01 -1.26 -1.18 120.40 118.19 3msp s VAL 61 Ca 0.00 -1.22 0.09 0.00 0.00 0.00 0.00 61.98 60.84 3msp s VAL 61 Cb 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 3msp s VAL 61 CO 0.00 -0.57 -0.13 -0.76 0.00 0.00 0.00 175.10 173.64 3msp s LEU 62 N -1.90 2.56 0.42 3.92 1.02 -0.73 -4.95 118.68 119.02 3msp s LEU 62 Ca -0.07 -1.07 0.07 0.00 0.02 0.00 0.00 54.13 53.07 3msp s LEU 62 Cb -0.06 -0.78 -0.05 0.00 0.02 0.00 0.00 46.19 45.32 3msp s LEU 62 CO -0.02 -0.17 0.15 1.51 0.02 0.00 0.00 176.35 177.84 3msp s ASP 63 N -3.41 4.33 -0.18 2.29 1.47 -1.26 -1.99 116.67 117.92 3msp s ASP 63 Ca 0.26 -1.15 -0.32 0.00 1.18 0.00 0.00 52.55 52.52 3msp s ASP 63 Cb -0.00 -0.41 -0.09 0.00 -0.34 0.00 0.00 42.92 42.08 3msp s ASP 63 CO 0.10 -0.56 2.10 -2.65 0.68 0.00 0.00 175.17 174.84 3msp n PRO 64 N -1.21 1.95 -3.09 2.11 -0.02 -1.26 -1.63 135.00 131.85 3msp n PRO 64 Ca -0.02 0.62 -0.14 0.00 -2.02 0.00 0.00 63.50 61.93 3msp n PRO 64 Cb 0.65 -2.88 0.04 0.00 -0.02 0.00 0.00 33.50 31.29 3msp n PRO 64 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3msp n LYS 65 N 7.93 -4.51 -4.68 -0.52 4.81 -0.32 -5.03 118.16 115.84 3msp n LYS 65 Ca 0.29 0.51 -0.34 0.00 -0.87 0.00 0.00 58.31 57.90 3msp n LYS 65 Cb 0.35 -4.55 -0.12 0.00 0.02 0.00 0.00 35.03 30.74 3msp n LYS 65 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3msp s GLU 66 N -5.70 2.74 -0.27 1.64 2.12 -0.64 -4.90 118.70 113.70 3msp s GLU 66 Ca 0.33 -0.58 -0.00 0.00 0.36 0.00 0.00 54.97 55.07 3msp s GLU 66 Cb -0.14 -2.55 0.04 0.00 0.26 0.00 0.00 34.13 31.73 3msp s GLU 66 CO 0.40 0.63 -0.06 -1.59 -0.54 0.00 0.00 175.26 174.10 3msp s LYS 67 N -0.71 2.55 0.05 4.30 -2.85 -1.26 -1.82 119.74 120.00 3msp s LYS 67 Ca 0.11 -1.17 0.00 0.00 -1.00 0.00 0.00 55.97 53.92 3msp s LYS 67 Cb -0.11 -3.01 -0.04 0.00 -2.06 0.00 0.00 37.83 32.61 3msp s LYS 67 CO 0.01 -0.51 0.16 0.14 0.10 0.00 0.00 175.35 175.26 3msp s VAL 68 N 1.24 5.12 -0.20 1.79 -7.23 -0.36 -4.95 120.40 115.82 3msp s VAL 68 Ca -0.04 -0.46 -0.13 0.00 -1.81 0.00 0.00 61.98 59.55 3msp s VAL 68 Cb -0.18 -3.47 -0.05 0.00 0.56 0.00 0.00 36.38 33.24 3msp s VAL 68 CO -0.04 0.18 0.26 -0.76 -0.31 0.00 0.00 175.10 174.43 3msp s LEU 69 N -2.34 4.17 0.29 1.32 2.01 -1.26 -2.50 118.68 120.37 3msp s LEU 69 Ca 0.32 0.35 0.09 0.00 0.01 0.00 0.00 54.13 54.90 3msp s LEU 69 Cb -0.13 -2.30 -0.04 0.00 0.01 0.00 0.00 46.19 43.73 3msp s LEU 69 CO 0.24 0.05 0.01 -0.32 1.01 0.00 0.00 176.35 177.34 3msp s MET 70 N 0.87 2.23 0.00 1.70 -2.45 -0.90 -4.69 119.30 116.08 3msp s MET 70 Ca 0.13 -1.50 0.04 0.00 -1.25 0.00 0.00 55.69 53.11 3msp s MET 70 Cb -0.13 -2.10 -0.01 0.00 1.25 0.00 0.00 34.83 33.83 3msp s MET 70 CO 0.04 0.30 -0.14 0.00 1.05 0.00 0.00 175.02 176.27 3msp s ALA 71 N -2.38 1.16 -0.29 4.11 0.00 -0.24 -1.57 121.76 122.55 3msp s ALA 71 Ca 0.33 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 3msp s ALA 71 Cb -0.05 -0.27 0.09 0.00 0.00 0.00 0.00 23.12 22.90 3msp s ALA 71 CO 0.20 0.27 0.08 0.08 0.00 0.00 0.00 175.76 176.39 3msp s VAL 72 N -0.45 0.85 0.36 0.00 1.01 -0.55 -1.66 120.40 119.96 3msp s VAL 72 Ca 0.04 -1.28 -0.25 0.00 0.00 0.00 0.00 61.98 60.50 3msp s VAL 72 Cb -0.06 -1.59 -0.10 0.00 0.00 0.00 0.00 36.38 34.63 3msp s VAL 72 CO -0.00 -0.59 0.95 -0.55 0.00 0.00 0.00 175.10 174.91 3msp s SER 73 N 1.64 7.21 0.02 3.32 0.15 -0.36 -1.69 113.70 123.99 3msp s SER 73 Ca 0.08 1.80 0.08 0.00 0.70 0.00 0.00 55.95 58.61 3msp s SER 73 Cb -0.17 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.55 3msp s SER 73 CO -0.22 -0.16 -0.24 0.00 1.20 0.00 0.00 173.24 173.82 3msp s ASP 75 N -0.93 6.75 0.97 0.00 1.11 0.54 -3.27 116.67 121.84 3msp s ASP 75 Ca 0.09 0.93 -0.12 0.00 0.18 0.00 0.00 52.55 53.64 3msp s ASP 75 Cb -0.09 -2.23 0.13 0.00 1.07 0.00 0.00 42.92 41.79 3msp s ASP 75 CO 0.01 0.22 0.83 0.35 1.18 0.00 0.00 175.17 177.75 3msp n THR 76 N 1.24 0.00 -2.71 -1.27 -2.24 -1.25 -5.01 114.28 103.05 3msp n THR 76 Ca -0.10 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3msp n THR 76 Cb 0.52 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 3msp n THR 76 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3msp n PHE 77 N -4.14 -0.04 -3.80 4.78 -1.74 -0.98 -5.04 117.46 106.50 3msp n PHE 77 Ca 0.09 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.68 3msp n PHE 77 Cb 0.53 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.39 3msp n PHE 77 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 3msp s ASN 78 N 1.72 4.04 0.57 5.98 2.47 -1.26 -4.79 114.94 123.66 3msp s ASN 78 Ca 0.00 -2.33 0.34 0.00 0.42 0.00 0.00 52.86 51.29 3msp s ASN 78 Cb 0.00 -1.17 1.68 0.00 -1.45 0.00 0.00 41.25 40.30 3msp s ASN 78 CO 0.00 -0.32 2.12 0.00 -3.72 0.00 0.00 177.10 175.18 3msp h ALA 79 N 7.22 1.12 -0.62 1.71 0.00 -1.94 -2.78 119.26 123.98 3msp h ALA 79 Ca -0.06 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3msp h ALA 79 Cb 0.96 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3msp h ALA 79 CO 0.51 0.07 0.40 0.00 0.00 0.00 0.00 179.25 180.24 3msp h ALA 80 N 1.94 0.78 -2.13 0.00 0.00 -1.99 -3.30 119.26 114.57 3msp h ALA 80 Ca -0.00 -0.04 -0.53 0.00 0.00 0.00 0.00 54.91 54.34 3msp h ALA 80 Cb 0.30 -0.24 -0.41 0.00 0.00 0.00 0.00 17.79 17.45 3msp h ALA 80 CO 0.01 0.20 -0.95 0.25 0.00 0.00 0.00 179.25 178.75 3msp n THR 81 N -4.67 1.24 -3.57 0.00 -2.24 -1.07 -5.07 114.28 98.90 3msp n THR 81 Ca 0.05 -5.01 -0.11 0.00 -2.27 0.00 0.00 64.05 56.71 3msp n THR 81 Cb 0.03 -0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 67.44 3msp n THR 81 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3msp s GLU 82 N -2.86 1.33 0.59 -0.78 0.41 -1.08 -4.95 118.70 111.36 3msp s GLU 82 Ca 0.44 -0.64 -0.18 0.00 -0.41 0.00 0.00 54.97 54.18 3msp s GLU 82 Cb 0.32 0.56 -0.04 0.00 -1.78 0.00 0.00 34.13 33.19 3msp s GLU 82 CO -0.11 -0.58 1.11 0.16 -0.49 0.00 0.00 175.26 175.36 3msp s ASP 83 N -2.80 5.54 -0.01 -0.19 1.47 -1.26 -4.86 116.67 114.55 3msp s ASP 83 Ca 0.04 2.07 0.09 0.00 1.18 0.00 0.00 52.55 55.93 3msp s ASP 83 Cb -0.01 -2.56 0.16 0.00 -0.34 0.00 0.00 42.92 40.16 3msp s ASP 83 CO -0.08 -1.34 1.07 0.18 0.68 0.00 0.00 175.17 175.67 3msp n LEU 84 N -1.75 0.51 -1.16 2.11 4.77 -1.26 -4.81 117.00 115.41 3msp n LEU 84 Ca 0.11 -1.50 0.01 0.00 -0.03 0.00 0.00 56.01 54.59 3msp n LEU 84 Cb 0.52 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3msp n LEU 84 CO 0.44 0.38 0.17 0.59 -1.33 0.00 0.00 177.39 177.64 3msp n ASN 85 N 0.03 0.34 -0.04 -1.43 3.02 -1.26 -4.34 115.26 111.59 3msp n ASN 85 Ca 0.03 -1.94 -0.03 0.00 -0.03 0.00 0.00 54.58 52.62 3msp n ASN 85 Cb 0.83 -0.14 -0.07 0.00 -0.61 0.00 0.00 39.78 39.79 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 0.28 2.85 -4.69 6.41 5.03 -1.26 -4.98 115.26 118.90 3msp n ASN 86 Ca -0.03 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.00 3msp n ASN 86 Cb 0.94 0.83 -0.03 0.00 -1.02 0.00 0.00 39.78 40.50 3msp n ASN 86 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3msp s ASP 87 N -3.92 6.84 -0.08 6.41 2.15 -1.26 -4.88 116.67 121.93 3msp s ASP 87 Ca -0.04 2.11 -0.04 0.00 0.43 0.00 0.00 52.55 55.00 3msp s ASP 87 Cb 0.03 -2.56 0.04 0.00 -0.30 0.00 0.00 42.92 40.13 3msp s ASP 87 CO 0.36 -0.74 0.18 -0.13 -0.17 0.00 0.00 175.17 174.68 3msp s ARG 88 N 2.55 0.16 -0.17 4.34 3.00 -1.26 -1.91 118.95 125.65 3msp s ARG 88 Ca 0.64 0.39 -0.16 0.00 0.00 0.00 0.00 55.73 56.60 3msp s ARG 88 Cb -0.31 -0.09 -0.04 0.00 0.00 0.00 0.00 34.95 34.51 3msp s ARG 88 CO 0.26 -0.13 0.38 0.42 0.00 0.00 0.00 175.30 176.23 3msp s ILE 89 N 0.92 5.23 -0.37 1.52 1.01 -0.78 -3.24 121.20 125.50 3msp s ILE 89 Ca -0.07 0.70 -0.04 0.00 0.00 0.00 0.00 60.65 61.25 3msp s ILE 89 Cb -0.08 -3.71 0.08 0.00 0.01 0.00 0.00 42.46 38.75 3msp s ILE 89 CO -0.05 0.31 0.14 -0.89 0.00 0.00 0.00 174.94 174.45 3msp s THR 90 N 0.88 3.34 0.26 2.92 2.01 -0.68 -0.31 115.64 124.07 3msp s THR 90 Ca 0.20 -1.69 -0.14 0.00 0.31 0.00 0.00 61.69 60.36 3msp s THR 90 Cb -0.14 -3.11 -0.08 0.00 0.01 0.00 0.00 72.50 69.17 3msp s THR 90 CO 0.07 -0.44 0.67 -0.63 -0.69 0.00 0.00 174.62 173.60 3msp s ILE 91 N 1.23 4.74 0.03 1.82 1.09 -0.44 -2.46 121.20 127.22 3msp s ILE 91 Ca 0.03 0.88 -0.07 0.00 -1.10 0.00 0.00 60.65 60.39 3msp s ILE 91 Cb -0.21 -3.67 -0.01 0.00 -1.06 0.00 0.00 42.46 37.51 3msp s ILE 91 CO -0.02 -0.04 0.13 -1.61 -0.10 0.00 0.00 174.94 173.30 3msp s GLU 92 N -2.65 0.61 -0.09 2.79 2.02 -0.79 -1.35 118.70 119.23 3msp s GLU 92 Ca 0.49 -0.67 -0.30 0.00 0.02 0.00 0.00 54.97 54.50 3msp s GLU 92 Cb -0.12 0.24 0.09 0.00 0.10 0.00 0.00 34.13 34.44 3msp s GLU 92 CO 0.19 -0.16 0.77 1.67 0.02 0.00 0.00 175.26 177.75 3msp s TRP 93 N -2.46 -0.59 -0.09 1.61 -2.14 -0.77 -1.70 118.94 112.80 3msp s TRP 93 Ca -0.06 1.03 -0.10 0.00 2.66 0.00 0.00 56.10 59.63 3msp s TRP 93 Cb -0.02 0.41 0.03 0.00 -3.10 0.00 0.00 33.47 30.79 3msp s TRP 93 CO -0.04 -0.53 0.28 -0.08 -2.66 0.00 0.00 176.95 173.93 3msp s THR 94 N -1.09 0.01 0.31 0.66 -1.32 -0.81 -1.95 115.64 111.45 3msp s THR 94 Ca -0.08 -0.10 -0.28 0.00 -1.21 0.00 0.00 61.69 60.02 3msp s THR 94 Cb -0.00 -0.43 -0.13 0.00 -1.51 0.00 0.00 72.50 70.42 3msp s THR 94 CO 0.07 -0.06 1.18 -3.20 -2.21 0.00 0.00 174.62 170.40 3msp n ASN 95 N 2.63 2.10 -4.87 8.08 2.85 -1.26 -1.69 115.26 123.11 3msp n ASN 95 Ca -0.14 1.19 -0.34 0.00 -0.11 0.00 0.00 54.58 55.18 3msp n ASN 95 Cb 0.58 -1.39 -0.05 0.00 1.24 0.00 0.00 39.78 40.15 3msp n ASN 95 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3msp s THR 96 N -0.99 5.01 1.01 -0.44 -4.23 -1.18 -4.82 115.64 110.00 3msp s THR 96 Ca 0.58 0.51 -0.16 0.00 -1.18 0.00 0.00 61.69 61.43 3msp s THR 96 Cb -0.64 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 69.55 3msp s THR 96 CO 0.60 0.17 -0.07 -2.65 -0.54 0.00 0.00 174.62 172.14 3msp n PRO 97 N 0.57 -0.57 -1.49 3.99 -0.02 -1.26 -4.70 135.00 131.52 3msp n PRO 97 Ca -0.05 -0.14 -0.52 0.00 -2.02 0.00 0.00 63.50 60.77 3msp n PRO 97 Cb 0.52 -1.60 -0.07 0.00 -0.02 0.00 0.00 33.50 32.33 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 -0.20 2.19 -3.82 2.55 9.92 -1.26 -1.10 116.55 124.83 3msp n ASP 98 Ca 0.03 0.57 -0.25 0.00 -0.53 0.00 0.00 54.79 54.61 3msp n ASP 98 Cb 0.58 -1.23 0.02 0.00 -0.64 0.00 0.00 41.12 39.85 3msp n ASP 98 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3msp n GLY 99 N 6.08 -0.34 3.70 0.44 0.00 -1.26 -4.91 105.19 108.90 3msp n GLY 99 Ca 0.38 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.61 1.91 1.04 4.61 0.00 -0.26 -4.96 121.76 120.48 3msp s ALA 100 Ca 0.20 0.86 -0.12 0.00 0.00 0.00 0.00 51.96 52.90 3msp s ALA 100 Cb -0.10 -3.49 0.17 0.00 0.00 0.00 0.00 23.12 19.70 3msp s ALA 100 CO 0.83 -2.20 0.83 0.00 0.00 0.00 0.00 175.76 175.23 3msp n ALA 101 N -3.15 -2.25 -2.25 0.00 0.00 -1.26 -4.87 120.51 106.72 3msp n ALA 101 Ca 0.14 -0.87 -0.42 0.00 0.00 0.00 0.00 53.44 52.28 3msp n ALA 101 Cb 0.50 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 -3.79 3.57 -3.48 0.00 5.02 -1.26 -4.81 118.16 113.40 3msp n LYS 102 Ca 0.07 -3.42 0.01 0.00 -2.02 0.00 0.00 58.31 52.95 3msp n LYS 102 Cb 0.54 -2.95 -0.05 0.00 -0.02 0.00 0.00 35.03 32.55 3msp n LYS 102 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3msp s GLN 103 N 0.64 0.22 0.00 1.97 -2.07 -1.26 -5.12 119.66 114.04 3msp s GLN 103 Ca 0.41 0.47 -0.36 0.00 -1.82 0.00 0.00 55.36 54.06 3msp s GLN 103 Cb 0.10 0.19 -0.14 0.00 -1.09 0.00 0.00 33.01 32.07 3msp s GLN 103 CO -0.01 -0.06 1.63 0.34 -1.32 0.00 0.00 175.29 175.87 3msp n PHE 104 N 4.19 2.07 -4.10 9.60 7.35 -1.26 -4.97 117.46 130.34 3msp n PHE 104 Ca -0.13 0.33 -0.30 0.00 -0.76 0.00 0.00 57.45 56.59 3msp n PHE 104 Cb 0.55 -2.51 -0.07 0.00 0.35 0.00 0.00 39.48 37.80 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 2.08 2.71 0.27 -4.13 0.52 -1.26 -5.01 118.95 114.12 3msp s ARG 105 Ca 0.87 -0.76 0.20 0.00 -0.52 0.00 0.00 55.73 55.52 3msp s ARG 105 Cb -0.82 -2.63 0.10 0.00 0.52 0.00 0.00 34.95 32.13 3msp s ARG 105 CO 0.48 0.56 1.27 -0.09 0.02 0.00 0.00 175.30 177.54 3msp h ARG 106 N 3.41 0.00 0.00 3.54 2.43 -2.01 -3.27 114.38 118.48 3msp h ARG 106 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3msp h ARG 106 Cb 1.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3msp h ARG 106 CO 0.62 0.14 0.00 -0.85 -1.51 0.00 0.00 179.97 178.38 3msp n GLU 107 N -2.96 0.02 0.17 0.20 0.28 -1.26 -2.98 120.64 114.11 3msp n GLU 107 Ca 0.00 0.15 0.02 0.00 -0.16 0.00 0.00 57.16 57.17 3msp n GLU 107 Cb 0.63 -1.50 0.30 0.00 1.43 0.00 0.00 31.44 32.30 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 -0.87 -1.84 6.55 -1.97 -2.96 115.95 114.86 3msp h TRP 108 Ca 0.00 0.00 -0.57 0.00 0.95 0.00 0.00 58.89 59.27 3msp h TRP 108 Cb 0.34 0.00 -0.30 0.00 -0.86 0.00 0.00 29.16 28.34 3msp h TRP 108 CO 0.00 0.45 0.37 1.19 -1.05 0.00 0.00 178.44 179.40 3msp n PHE 109 N -3.95 2.84 -1.39 0.49 3.01 -1.16 -4.45 117.46 112.86 3msp n PHE 109 Ca -0.02 -2.51 0.08 0.00 1.01 0.00 0.00 57.45 56.01 3msp n PHE 109 Cb 0.48 -1.03 0.18 0.00 -0.01 0.00 0.00 39.48 39.10 3msp n PHE 109 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3msp n GLN 110 N -0.94 1.42 -3.52 -1.08 -0.00 -1.12 -5.03 117.38 107.11 3msp n GLN 110 Ca 0.55 -2.96 -0.17 0.00 -0.00 0.00 0.00 57.00 54.42 3msp n GLN 110 Cb 0.93 -1.54 -0.06 0.00 -0.00 0.00 0.00 30.24 29.58 3msp n GLN 110 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3msp s GLY 111 N -3.05 -0.54 0.53 2.61 0.00 -1.26 -5.11 107.32 100.51 3msp s GLY 111 Ca 0.35 1.39 -0.13 0.00 0.00 0.00 0.00 44.72 46.33 3msp s GLY 111 CO -0.03 0.94 0.95 -0.35 0.00 0.00 0.00 173.10 174.61 3msp s ASP 112 N -1.24 6.45 0.00 1.64 2.15 -1.26 -4.66 116.67 119.74 3msp s ASP 112 Ca -0.09 1.41 0.00 0.00 0.43 0.00 0.00 52.55 54.29 3msp s ASP 112 Cb -0.00 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 3msp s ASP 112 CO 0.08 -0.65 0.00 0.61 -0.17 0.00 0.00 175.17 175.03 3msp n GLY 113 N -1.99 1.75 3.14 2.66 0.00 -1.26 -5.01 105.19 104.48 3msp n GLY 113 Ca 0.05 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 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 2.14 0.00 1.61 -1.94 -1.26 -4.91 119.30 114.94 3msp s MET 114 Ca 0.00 -1.58 0.00 0.00 -1.71 0.00 0.00 55.69 52.40 3msp s MET 114 Cb 0.00 -3.38 0.00 0.00 2.01 0.00 0.00 34.83 33.46 3msp s MET 114 CO 0.00 -0.86 0.00 1.55 -0.01 0.00 0.00 175.02 175.70 3msp n VAL 115 N 4.58 0.00 -4.13 -6.03 3.14 -1.26 -4.11 118.33 110.52 3msp n VAL 115 Ca -0.06 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.06 3msp n VAL 115 Cb 0.42 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.14 3msp n VAL 115 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3msp s ARG 116 N 0.00 2.76 -0.09 1.45 0.52 -0.82 -4.93 118.95 117.84 3msp s ARG 116 Ca 0.00 -0.98 -0.05 0.00 -0.52 0.00 0.00 55.73 54.18 3msp s ARG 116 Cb 0.00 -2.54 0.04 0.00 0.52 0.00 0.00 34.95 32.97 3msp s ARG 116 CO 0.00 0.46 0.22 -0.98 0.02 0.00 0.00 175.30 175.01 3msp s ARG 117 N -3.20 0.19 0.15 3.54 3.03 -1.26 -1.86 118.95 119.55 3msp s ARG 117 Ca 0.30 0.43 0.09 0.00 2.03 0.00 0.00 55.73 58.59 3msp s ARG 117 Cb -0.09 -0.07 -0.04 0.00 -1.03 0.00 0.00 34.95 33.71 3msp s ARG 117 CO 0.22 -0.13 -0.15 0.15 -1.13 0.00 0.00 175.30 174.27 3msp s LYS 118 N 0.94 1.89 0.18 3.89 1.02 -0.46 -4.95 119.74 122.26 3msp s LYS 118 Ca -0.07 -1.24 0.04 0.00 0.02 0.00 0.00 55.97 54.73 3msp s LYS 118 Cb -0.08 -2.12 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 3msp s LYS 118 CO -0.06 0.46 0.23 -0.80 -0.92 0.00 0.00 175.35 174.26 3msp s ASN 119 N -2.48 5.93 -0.04 2.83 0.02 -1.26 -1.33 114.94 118.60 3msp s ASN 119 Ca 0.21 -0.01 0.01 0.00 -1.02 0.00 0.00 52.86 52.05 3msp s ASN 119 Cb -0.10 -1.66 0.02 0.00 0.02 0.00 0.00 41.25 39.53 3msp s ASN 119 CO 0.12 0.03 -0.04 -0.76 0.02 0.00 0.00 177.10 176.47 3msp s LEU 120 N -3.38 1.31 -0.05 0.60 1.02 0.58 -4.87 118.68 113.88 3msp s LEU 120 Ca 0.33 -0.12 -0.29 0.00 0.02 0.00 0.00 54.13 54.06 3msp s LEU 120 Cb -0.10 -0.44 -0.02 0.00 0.02 0.00 0.00 46.19 45.65 3msp s LEU 120 CO 0.26 -0.06 0.97 -2.16 0.02 0.00 0.00 176.35 175.38 3msp s PRO 121 N 0.95 4.49 -0.13 1.29 0.04 -1.26 -1.86 135.00 138.51 3msp s PRO 121 Ca -0.11 1.36 -0.07 0.00 0.04 0.00 0.00 61.00 62.22 3msp s PRO 121 Cb -0.14 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 3msp s PRO 121 CO -0.00 -0.15 0.14 0.42 0.04 0.00 0.00 177.00 177.45 3msp s ILE 122 N 1.41 5.50 0.28 0.56 -1.09 -0.81 -2.55 121.20 124.50 3msp s ILE 122 Ca 0.49 0.21 0.12 0.00 -2.23 0.00 0.00 60.65 59.24 3msp s ILE 122 Cb -0.20 -3.41 -0.05 0.00 -1.58 0.00 0.00 42.46 37.23 3msp s ILE 122 CO 0.23 0.60 -0.18 -0.70 -1.23 0.00 0.00 174.94 173.66 3msp s GLU 123 N -0.87 1.73 -0.18 2.79 2.12 0.13 -4.53 118.70 119.88 3msp s GLU 123 Ca 0.14 -1.75 0.01 0.00 0.36 0.00 0.00 54.97 53.73 3msp s GLU 123 Cb -0.12 -1.80 0.03 0.00 0.26 0.00 0.00 34.13 32.51 3msp s GLU 123 CO 0.03 0.33 -0.14 0.71 -0.54 0.00 0.00 175.26 175.65 3msp s TYR 124 N -2.50 2.46 -0.02 5.30 1.51 -1.26 -1.17 117.35 121.67 3msp s TYR 124 Ca 0.30 -1.50 0.05 0.00 -1.01 0.00 0.00 57.07 54.91 3msp s TYR 124 Cb -0.05 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 40.07 3msp s TYR 124 CO 0.15 -0.74 -0.15 1.21 -1.11 0.00 0.00 175.55 174.91 3msp s ASN 125 N 1.39 3.95 0.00 2.29 2.47 -1.02 -4.97 114.94 119.05 3msp s ASN 125 Ca 0.02 -0.26 0.25 0.00 0.42 0.00 0.00 52.86 53.29 3msp s ASN 125 Cb -0.14 -0.77 0.45 0.00 -1.45 0.00 0.00 41.25 39.34 3msp s ASN 125 CO -0.10 0.32 1.41 0.18 -3.72 0.00 0.00 177.10 175.19