#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3msp s GLN 2 N 0.00 3.08 0.00 0.00 -2.07 -1.26 -4.96 119.66 114.45 3msp s GLN 2 Ca 0.00 -0.86 0.00 0.00 -1.82 0.00 0.00 55.36 52.68 3msp s GLN 2 Cb 0.00 -2.33 0.00 0.00 -1.09 0.00 0.00 33.01 29.59 3msp s GLN 2 CO 0.00 0.19 0.00 0.45 -1.32 0.00 0.00 175.29 174.61 3msp n SER 3 N 3.51 0.00 -3.65 12.60 2.88 -1.26 -5.17 113.62 122.53 3msp n SER 3 Ca -0.19 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.33 3msp n SER 3 Cb 0.53 0.09 -0.07 0.00 -0.75 0.00 0.00 64.21 64.01 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 -0.21 0.00 0.70 2.46 0.11 -1.26 -5.18 120.40 117.02 3msp s VAL 4 Ca 0.00 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 3msp s VAL 4 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 3msp s VAL 4 CO 0.00 0.00 1.06 -2.16 -3.33 0.00 0.00 175.10 170.67 3msp s PRO 5 N 0.21 2.93 0.18 1.54 0.04 -1.26 -5.00 135.00 133.64 3msp s PRO 5 Ca 0.05 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 3msp s PRO 5 Cb -0.04 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 3msp s PRO 5 CO -0.15 -1.08 1.36 -1.25 0.04 0.00 0.00 177.00 175.93 3msp s PRO 6 N -5.10 4.34 0.00 0.56 0.04 -1.26 -5.01 135.00 128.57 3msp s PRO 6 Ca 0.58 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.73 3msp s PRO 6 Cb -0.13 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.21 3msp s PRO 6 CO 0.55 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.64 3msp n GLY 7 N 2.77 -3.06 3.04 0.56 0.00 -1.26 -4.96 105.19 102.28 3msp n GLY 7 Ca 0.08 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 3msp n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3msp s ASP 8 N -1.90 1.42 0.23 1.61 2.15 -1.26 -5.00 116.67 113.92 3msp s ASP 8 Ca 0.00 -0.22 -0.04 0.00 0.43 0.00 0.00 52.55 52.71 3msp s ASP 8 Cb 0.00 -0.32 -0.05 0.00 -0.30 0.00 0.00 42.92 42.25 3msp s ASP 8 CO 0.00 0.10 0.47 0.27 -0.17 0.00 0.00 175.17 175.85 3msp s ILE 9 N 0.03 5.09 -0.15 4.11 -4.36 -1.26 -3.17 121.20 121.48 3msp s ILE 9 Ca -0.01 -0.00 -0.06 0.00 -0.26 0.00 0.00 60.65 60.32 3msp s ILE 9 Cb -0.08 -3.69 -0.04 0.00 1.25 0.00 0.00 42.46 39.90 3msp s ILE 9 CO 0.00 -0.17 0.05 0.20 0.24 0.00 0.00 174.94 175.26 3msp s ASN 10 N -2.90 5.56 0.15 4.36 0.01 -0.97 -4.92 114.94 116.23 3msp s ASN 10 Ca 0.42 0.12 0.08 0.00 -0.71 0.00 0.00 52.86 52.77 3msp s ASN 10 Cb -0.11 -1.86 -0.04 0.00 0.41 0.00 0.00 41.25 39.65 3msp s ASN 10 CO 0.27 0.24 -0.17 0.42 -1.51 0.00 0.00 177.10 176.36 3msp s THR 11 N -0.04 1.66 -0.11 1.60 -4.23 -1.26 -1.63 115.64 111.64 3msp s THR 11 Ca 0.06 -1.86 -0.04 0.00 -1.18 0.00 0.00 61.69 58.67 3msp s THR 11 Cb -0.12 -1.75 0.05 0.00 1.34 0.00 0.00 72.50 72.01 3msp s THR 11 CO 0.01 -0.35 0.08 -1.10 -0.54 0.00 0.00 174.62 172.71 3msp s GLN 12 N -2.78 0.00 0.89 3.99 -1.52 -0.31 -2.83 119.66 117.10 3msp s GLN 12 Ca 0.14 0.13 -0.11 0.00 -1.95 0.00 0.00 55.36 53.57 3msp s GLN 12 Cb -0.05 -1.23 0.13 0.00 -0.22 0.00 0.00 33.01 31.63 3msp s GLN 12 CO 0.05 -0.52 1.11 -1.25 -0.25 0.00 0.00 175.29 174.44 3msp s PRO 13 N 2.15 1.26 0.13 2.91 0.04 -1.26 -2.51 135.00 137.72 3msp s PRO 13 Ca 0.03 1.25 -0.20 0.00 0.04 0.00 0.00 61.00 62.13 3msp s PRO 13 Cb -0.14 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 3msp s PRO 13 CO -0.06 -2.37 1.70 1.03 0.04 0.00 0.00 177.00 177.33 3msp h SER 14 N -1.66 -0.23 0.00 6.66 0.87 -1.94 -3.40 113.55 113.85 3msp h SER 14 Ca -0.46 0.07 -0.14 0.00 -1.23 0.00 0.00 61.79 60.03 3msp h SER 14 Cb 1.26 0.15 -0.11 0.00 -0.44 0.00 0.00 62.40 63.26 3msp h SER 14 CO 0.47 -0.08 -0.13 0.00 -0.53 0.00 0.00 176.83 176.56 3msp n GLN 15 N -5.22 0.77 -3.15 2.24 10.64 -1.26 -4.77 117.38 116.64 3msp n GLN 15 Ca -0.02 -1.10 0.04 0.00 -1.83 0.00 0.00 57.00 54.10 3msp n GLN 15 Cb 0.14 0.08 -0.01 0.00 -0.86 0.00 0.00 30.24 29.60 3msp n GLN 15 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 3msp s LYS 16 N 0.11 0.48 -0.08 2.61 2.20 -1.26 -4.25 119.74 119.55 3msp s LYS 16 Ca 0.11 0.74 0.01 0.00 -0.36 0.00 0.00 55.97 56.47 3msp s LYS 16 Cb 0.26 0.40 0.02 0.00 -1.51 0.00 0.00 37.83 37.00 3msp s LYS 16 CO -0.06 -0.64 -0.07 -1.50 -0.36 0.00 0.00 175.35 172.71 3msp s ILE 17 N 2.87 0.86 -0.32 5.43 2.07 -1.05 -4.62 121.20 126.44 3msp s ILE 17 Ca 0.15 -0.25 0.03 0.00 -1.41 0.00 0.00 60.65 59.17 3msp s ILE 17 Cb -0.12 -0.86 0.09 0.00 0.13 0.00 0.00 42.46 41.70 3msp s ILE 17 CO -0.21 0.32 0.03 0.54 -1.91 0.00 0.00 174.94 173.71 3msp s VAL 18 N 1.24 2.02 1.00 4.00 0.11 -1.26 -0.80 120.40 126.71 3msp s VAL 18 Ca -0.05 -2.08 -0.17 0.00 -2.93 0.00 0.00 61.98 56.76 3msp s VAL 18 Cb -0.14 -2.45 -0.03 0.00 -1.53 0.00 0.00 36.38 32.23 3msp s VAL 18 CO -0.02 -0.53 -0.24 0.49 -3.33 0.00 0.00 175.10 171.47 3msp n PHE 19 N 4.38 -2.56 -4.05 1.54 3.72 0.10 -4.61 117.46 115.97 3msp n PHE 19 Ca 0.00 0.18 -0.31 0.00 -0.05 0.00 0.00 57.45 57.28 3msp n PHE 19 Cb 0.42 -1.60 -0.16 0.00 -0.94 0.00 0.00 39.48 37.20 3msp n PHE 19 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3msp s ASN 20 N -1.57 2.93 1.09 4.37 0.01 -1.26 -1.62 114.94 118.88 3msp s ASN 20 Ca 0.49 -0.59 -0.21 0.00 -0.71 0.00 0.00 52.86 51.85 3msp s ASN 20 Cb -0.15 -1.29 0.04 0.00 0.41 0.00 0.00 41.25 40.26 3msp s ASN 20 CO 0.72 -0.05 -0.35 0.00 -1.51 0.00 0.00 177.10 175.91 3msp n ALA 21 N 4.71 -4.29 -1.68 0.60 0.00 -0.92 -4.83 120.51 114.09 3msp n ALA 21 Ca -0.18 -1.31 -0.30 0.00 0.00 0.00 0.00 53.44 51.65 3msp n ALA 21 Cb 0.50 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.73 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 -3.10 2.44 -0.44 0.00 0.04 -1.26 -5.07 135.00 127.61 3msp s PRO 22 Ca 0.50 0.60 0.04 0.00 0.04 0.00 0.00 61.00 62.17 3msp s PRO 22 Cb -0.06 -1.96 0.45 0.00 0.04 0.00 0.00 34.50 32.97 3msp s PRO 22 CO 0.63 -1.36 1.49 0.66 0.04 0.00 0.00 177.00 178.46 3msp n TYR 23 N -3.25 2.96 0.04 0.56 4.01 -1.26 -4.56 117.16 115.65 3msp n TYR 23 Ca 0.07 -2.54 0.07 0.00 -0.16 0.00 0.00 57.90 55.34 3msp n TYR 23 Cb 0.56 -0.72 0.15 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.76 2.87 -0.10 7.72 -0.08 -1.26 -2.40 116.55 122.54 3msp n ASP 24 Ca 0.50 -1.87 0.00 0.00 -1.51 0.00 0.00 54.79 51.91 3msp n ASP 24 Cb 0.83 -0.20 0.00 0.00 2.34 0.00 0.00 41.12 44.08 3msp n ASP 24 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3msp n ASP 25 N 0.80 0.00 -4.49 1.67 -0.08 -1.26 -4.86 116.55 108.33 3msp n ASP 25 Ca 0.13 -0.10 -0.42 0.00 -1.51 0.00 0.00 54.79 52.89 3msp n ASP 25 Cb 0.44 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.79 3msp n ASP 25 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3msp s LYS 26 N 0.70 3.19 -0.22 -0.67 1.02 -1.26 -1.60 119.74 120.90 3msp s LYS 26 Ca 0.00 -0.86 -0.04 0.00 0.02 0.00 0.00 55.97 55.09 3msp s LYS 26 Cb 0.00 -3.89 -0.00 0.00 -0.52 0.00 0.00 37.83 33.42 3msp s LYS 26 CO 0.00 -0.61 -0.05 -1.01 -0.92 0.00 0.00 175.35 172.76 3msp s HIS 27 N 1.69 2.96 -0.33 3.18 3.76 -1.04 -4.99 115.29 120.52 3msp s HIS 27 Ca 0.05 -1.02 -0.10 0.00 -0.15 0.00 0.00 55.06 53.84 3msp s HIS 27 Cb -0.18 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.41 3msp s HIS 27 CO 0.10 -0.58 0.18 0.99 -0.85 0.00 0.00 174.74 174.58 3msp s THR 28 N 1.46 4.63 -0.34 1.30 2.01 -1.26 -2.34 115.64 121.10 3msp s THR 28 Ca 0.05 -0.56 -0.09 0.00 0.31 0.00 0.00 61.69 61.40 3msp s THR 28 Cb -0.14 -3.44 0.01 0.00 0.01 0.00 0.00 72.50 68.94 3msp s THR 28 CO -0.04 -0.04 0.16 -0.31 -0.69 0.00 0.00 174.62 173.70 3msp s TYR 29 N 1.60 3.21 0.26 4.92 1.51 -1.10 -4.87 117.35 122.88 3msp s TYR 29 Ca 0.04 -0.88 -0.21 0.00 -1.01 0.00 0.00 57.07 55.00 3msp s TYR 29 Cb -0.18 -2.37 -0.09 0.00 -0.11 0.00 0.00 41.96 39.22 3msp s TYR 29 CO 0.07 -0.58 0.79 -1.01 -1.11 0.00 0.00 175.55 173.70 3msp s HIS 30 N 1.55 3.63 0.05 2.71 3.76 -1.26 -1.73 115.29 123.99 3msp s HIS 30 Ca 0.03 1.48 0.07 0.00 -0.15 0.00 0.00 55.06 56.48 3msp s HIS 30 Cb -0.18 -2.69 -0.03 0.00 1.11 0.00 0.00 32.58 30.78 3msp s HIS 30 CO 0.05 0.27 -0.18 0.42 -0.85 0.00 0.00 174.74 174.46 3msp s ILE 31 N -1.60 2.80 -0.15 0.60 1.01 -0.58 -4.94 121.20 118.34 3msp s ILE 31 Ca 0.46 -1.20 -0.16 0.00 0.00 0.00 0.00 60.65 59.75 3msp s ILE 31 Cb -0.16 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 3msp s ILE 31 CO 0.21 0.32 0.37 -0.75 0.00 0.00 0.00 174.94 175.10 3msp s LYS 32 N -1.48 4.29 0.10 2.79 2.20 -1.04 -1.92 119.74 124.67 3msp s LYS 32 Ca 0.15 0.24 0.06 0.00 -0.36 0.00 0.00 55.97 56.06 3msp s LYS 32 Cb -0.10 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 3msp s LYS 32 CO 0.06 0.18 -0.16 0.42 -0.36 0.00 0.00 175.35 175.49 3msp s ILE 33 N 0.60 1.37 0.06 5.43 1.01 -1.04 -1.16 121.20 127.46 3msp s ILE 33 Ca 0.20 -1.53 -0.16 0.00 0.00 0.00 0.00 60.65 59.16 3msp s ILE 33 Cb -0.14 -1.38 0.03 0.00 0.01 0.00 0.00 42.46 40.98 3msp s ILE 33 CO 0.07 -0.25 0.38 -0.89 0.00 0.00 0.00 174.94 174.25 3msp s THR 34 N -1.56 0.07 -0.58 2.92 2.01 -0.65 -2.05 115.64 115.80 3msp s THR 34 Ca 0.05 -0.55 -0.19 0.00 0.31 0.00 0.00 61.69 61.31 3msp s THR 34 Cb -0.08 -1.00 0.10 0.00 0.01 0.00 0.00 72.50 71.53 3msp s THR 34 CO 0.03 -0.30 0.70 0.20 -0.69 0.00 0.00 174.62 174.55 3msp s ASN 35 N -2.18 6.19 -0.10 3.53 -0.87 -0.77 -2.29 114.94 118.44 3msp s ASN 35 Ca -0.03 -1.36 0.08 0.00 -1.57 0.00 0.00 52.86 49.98 3msp s ASN 35 Cb -0.00 -2.30 0.42 0.00 -0.02 0.00 0.00 41.25 39.34 3msp s ASN 35 CO -0.04 -1.09 1.19 0.00 -2.57 0.00 0.00 177.10 174.58 3msp n ALA 36 N 6.33 3.08 -2.26 0.60 0.00 -1.19 -1.36 120.51 125.71 3msp n ALA 36 Ca -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.40 3msp n ALA 36 Cb 0.43 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 0.49 2.71 0.01 0.00 0.00 -1.26 -4.53 105.19 102.60 3msp n GLY 37 Ca 0.14 -1.87 -0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.15 3.40 -0.02 0.00 -1.26 -4.64 105.19 107.52 3msp n GLY 38 Ca 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.12 1.47 1.10 1.61 0.52 -1.26 -4.72 118.95 115.54 3msp s ARG 39 Ca -0.01 -1.70 -0.18 0.00 -0.52 0.00 0.00 55.73 53.31 3msp s ARG 39 Cb 0.01 -1.19 0.09 0.00 0.52 0.00 0.00 34.95 34.38 3msp s ARG 39 CO 0.13 0.12 0.05 2.89 0.02 0.00 0.00 175.30 178.51 3msp n ARG 40 N -0.50 -1.41 -3.68 3.54 1.85 -1.26 -4.62 116.66 110.58 3msp n ARG 40 Ca -0.06 -0.39 -0.09 0.00 -1.00 0.00 0.00 57.85 56.30 3msp n ARG 40 Cb 0.62 -1.72 -0.10 0.00 -1.05 0.00 0.00 32.46 30.21 3msp n ARG 40 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 3msp s ILE 41 N -2.26 -0.02 -0.56 8.89 -4.36 -0.83 -3.94 121.20 118.12 3msp s ILE 41 Ca 0.56 0.06 -0.27 0.00 -0.26 0.00 0.00 60.65 60.74 3msp s ILE 41 Cb -0.13 -0.73 0.03 0.00 1.25 0.00 0.00 42.46 42.88 3msp s ILE 41 CO 0.66 0.03 1.11 -0.83 0.24 0.00 0.00 174.94 176.15 3msp s GLY 42 N 1.48 1.23 0.19 6.27 0.00 -0.78 -2.24 107.32 113.47 3msp s GLY 42 Ca -0.10 -0.92 0.05 0.00 0.00 0.00 0.00 44.72 43.75 3msp s GLY 42 CO -0.15 2.35 0.20 0.66 0.00 0.00 0.00 173.10 176.16 3msp s TRP 43 N 4.59 3.23 0.04 1.90 1.48 -0.89 -2.46 118.94 126.83 3msp s TRP 43 Ca 0.39 -0.01 -0.12 0.00 -1.06 0.00 0.00 56.10 55.30 3msp s TRP 43 Cb -0.09 -1.52 0.01 0.00 -1.16 0.00 0.00 33.47 30.71 3msp s TRP 43 CO 0.24 0.51 0.26 0.00 -4.06 0.00 0.00 176.95 173.90 3msp s ALA 44 N -1.86 -0.56 -0.02 2.67 0.00 -0.74 -2.22 121.76 119.04 3msp s ALA 44 Ca 0.32 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.23 3msp s ALA 44 Cb -0.10 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 3msp s ALA 44 CO 0.25 -0.39 -0.15 0.42 0.00 0.00 0.00 175.76 175.89 3msp s ILE 45 N -2.53 1.25 -0.05 0.00 -1.09 -0.71 -2.41 121.20 115.67 3msp s ILE 45 Ca -0.05 -0.65 -0.02 0.00 -2.23 0.00 0.00 60.65 57.70 3msp s ILE 45 Cb -0.01 -1.06 0.04 0.00 -1.58 0.00 0.00 42.46 39.84 3msp s ILE 45 CO -0.03 0.36 0.11 -0.54 -1.23 0.00 0.00 174.94 173.61 3msp s LYS 46 N -0.17 0.05 0.20 2.79 1.02 -1.03 -4.94 119.74 117.66 3msp s LYS 46 Ca 0.02 0.32 0.05 0.00 0.02 0.00 0.00 55.97 56.38 3msp s LYS 46 Cb -0.08 -0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 36.98 3msp s LYS 46 CO 0.00 -0.17 0.20 0.95 -0.92 0.00 0.00 175.35 175.41 3msp s THR 47 N 1.20 4.68 0.57 2.17 -4.23 -1.26 -2.06 115.64 116.71 3msp s THR 47 Ca -0.09 -1.12 0.32 0.00 -1.18 0.00 0.00 61.69 59.62 3msp s THR 47 Cb -0.12 -3.46 0.47 0.00 1.34 0.00 0.00 72.50 70.72 3msp s THR 47 CO -0.05 -0.21 1.75 0.71 -0.54 0.00 0.00 174.62 176.28 3msp h THR 48 N 1.69 0.32 -3.05 3.99 1.35 -1.88 -3.35 112.91 111.97 3msp h THR 48 Ca -0.49 0.00 -0.31 0.00 -0.55 0.00 0.00 66.41 65.06 3msp h THR 48 Cb 1.22 0.41 -0.36 0.00 -1.73 0.00 0.00 68.15 67.68 3msp h THR 48 CO 0.63 0.00 -0.65 0.20 -0.25 0.00 0.00 175.52 175.44 3msp s ASN 49 N -4.88 0.96 -0.10 5.36 0.01 -1.26 -5.01 114.94 110.02 3msp s ASN 49 Ca -0.04 0.19 0.08 0.00 -0.71 0.00 0.00 52.86 52.38 3msp s ASN 49 Cb 0.19 0.21 0.40 0.00 0.41 0.00 0.00 41.25 42.46 3msp s ASN 49 CO 0.66 -0.26 1.17 0.23 -1.51 0.00 0.00 177.10 177.39 3msp n MET 50 N 5.32 2.76 -0.06 -0.60 2.81 -1.26 -2.80 117.12 123.29 3msp n MET 50 Ca -0.05 -1.56 -0.09 0.00 -1.81 0.00 0.00 57.70 54.20 3msp n MET 50 Cb 0.50 -1.76 -0.06 0.00 -0.71 0.00 0.00 33.22 31.18 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 0.38 0.48 -0.03 0.03 1.85 -1.26 -4.69 116.66 113.42 3msp n ARG 51 Ca 0.14 0.07 -0.03 0.00 -1.00 0.00 0.00 57.85 57.02 3msp n ARG 51 Cb 0.65 -1.26 -0.13 0.00 -1.05 0.00 0.00 32.46 30.66 3msp n ARG 51 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3msp n ARG 52 N -2.84 0.65 -4.33 2.89 5.12 -1.25 -4.94 116.66 111.96 3msp n ARG 52 Ca -0.22 0.08 -0.29 0.00 -1.93 0.00 0.00 57.85 55.48 3msp n ARG 52 Cb 0.75 -1.65 -0.12 0.00 -1.16 0.00 0.00 32.46 30.28 3msp n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3msp s LEU 53 N -5.52 2.66 0.01 0.55 1.43 -1.12 -3.64 118.68 113.05 3msp s LEU 53 Ca -0.07 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 3msp s LEU 53 Cb 0.08 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.78 3msp s LEU 53 CO 0.84 0.18 -0.03 -0.55 0.23 0.00 0.00 176.35 177.02 3msp s SER 54 N -2.10 0.28 -0.09 2.29 0.15 -0.86 -4.38 113.70 108.99 3msp s SER 54 Ca 0.17 -0.23 -0.01 0.00 0.70 0.00 0.00 55.95 56.59 3msp s SER 54 Cb -0.11 0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.25 3msp s SER 54 CO 0.09 -0.10 -0.03 0.68 1.20 0.00 0.00 173.24 175.08 3msp s VAL 55 N -0.62 0.65 -0.02 4.45 -7.23 -1.26 -0.86 120.40 115.51 3msp s VAL 55 Ca -0.06 -0.06 0.02 0.00 -1.81 0.00 0.00 61.98 60.07 3msp s VAL 55 Cb -0.04 -0.74 0.00 0.00 0.56 0.00 0.00 36.38 36.16 3msp s VAL 55 CO -0.00 0.30 -0.05 -1.81 -0.31 0.00 0.00 175.10 173.23 3msp s ASP 56 N 1.78 0.76 0.12 4.85 1.11 -1.02 -2.58 116.67 121.68 3msp s ASP 56 Ca 0.04 -0.11 -0.30 0.00 0.18 0.00 0.00 52.55 52.35 3msp s ASP 56 Cb -0.13 -0.19 -0.07 0.00 1.07 0.00 0.00 42.92 43.61 3msp s ASP 56 CO -0.06 0.03 1.18 -2.16 1.18 0.00 0.00 175.17 175.34 3msp s PRO 57 N 0.22 4.48 0.33 8.23 0.04 -1.26 -2.12 135.00 144.92 3msp s PRO 57 Ca -0.02 1.78 0.10 0.00 0.04 0.00 0.00 61.00 62.90 3msp s PRO 57 Cb -0.07 -3.31 0.88 0.00 0.04 0.00 0.00 34.50 32.05 3msp s PRO 57 CO -0.00 -0.14 1.75 -1.35 0.04 0.00 0.00 177.00 177.29 3msp h PRO 58 N 6.05 0.59 -3.94 0.56 0.11 -1.86 -3.44 132.00 130.07 3msp h PRO 58 Ca -0.43 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 3msp h PRO 58 Cb 1.21 -0.13 -0.13 0.00 0.11 0.00 0.00 31.00 32.06 3msp h PRO 58 CO 0.78 0.39 -0.39 0.00 -0.21 0.00 0.00 178.00 178.57 3msp n GLY 60 N -0.15 1.72 3.63 0.00 0.00 -0.94 -5.01 105.19 104.44 3msp n GLY 60 Ca -0.10 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 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 5.21 0.08 1.61 1.01 -1.26 -2.09 120.40 122.95 3msp s VAL 61 Ca 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 3msp s VAL 61 Cb 0.00 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 3msp s VAL 61 CO 0.00 0.21 0.26 -0.22 0.00 0.00 0.00 175.10 175.36 3msp s LEU 62 N 1.69 4.33 0.51 3.92 2.96 -0.95 -4.92 118.68 126.23 3msp s LEU 62 Ca 0.15 0.40 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 3msp s LEU 62 Cb -0.15 -3.02 0.02 0.00 0.50 0.00 0.00 46.19 43.54 3msp s LEU 62 CO 0.09 0.15 0.73 -1.81 -1.32 0.00 0.00 176.35 174.18 3msp s ASP 63 N -2.38 5.48 0.02 3.68 1.11 -1.26 -1.96 116.67 121.36 3msp s ASP 63 Ca 0.36 0.08 -0.30 0.00 0.18 0.00 0.00 52.55 52.87 3msp s ASP 63 Cb -0.13 -1.10 -0.08 0.00 1.07 0.00 0.00 42.92 42.69 3msp s ASP 63 CO 0.25 -0.97 1.77 -2.84 1.18 0.00 0.00 175.17 174.56 3msp s PRO 64 N -4.68 4.17 -1.14 8.23 0.02 -1.26 -1.87 135.00 138.47 3msp s PRO 64 Ca 0.54 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.95 3msp s PRO 64 Cb -0.10 -3.94 0.00 0.00 0.02 0.00 0.00 34.50 30.48 3msp s PRO 64 CO 0.38 -0.86 0.00 1.17 -0.33 0.00 0.00 177.00 177.36 3msp n LYS 65 N 6.84 -0.94 -3.18 5.54 4.81 -0.47 -4.97 118.16 125.79 3msp n LYS 65 Ca 0.18 0.85 -0.31 0.00 -0.87 0.00 0.00 58.31 58.16 3msp n LYS 65 Cb 0.41 -4.87 -0.04 0.00 0.02 0.00 0.00 35.03 30.55 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 -2.79 3.78 0.16 1.64 2.02 -0.78 -4.75 118.70 117.97 3msp s GLU 66 Ca 0.00 0.32 0.10 0.00 0.02 0.00 0.00 54.97 55.41 3msp s GLU 66 Cb 0.00 -2.54 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 3msp s GLU 66 CO 0.00 0.16 -0.22 0.15 0.02 0.00 0.00 175.26 175.36 3msp s LYS 67 N -3.36 1.36 0.02 1.61 1.02 -1.26 -1.84 119.74 117.29 3msp s LYS 67 Ca 0.49 -1.40 -0.11 0.00 0.02 0.00 0.00 55.97 54.97 3msp s LYS 67 Cb -0.11 -1.63 0.01 0.00 -0.52 0.00 0.00 37.83 35.58 3msp s LYS 67 CO 0.26 0.36 0.23 0.14 -0.92 0.00 0.00 175.35 175.42 3msp s VAL 68 N -1.58 0.09 -0.60 3.17 -7.23 -0.87 -5.01 120.40 108.36 3msp s VAL 68 Ca 0.16 -0.72 -0.04 0.00 -1.81 0.00 0.00 61.98 59.57 3msp s VAL 68 Cb -0.08 -0.77 0.16 0.00 0.56 0.00 0.00 36.38 36.25 3msp s VAL 68 CO 0.07 -0.40 0.42 -0.22 -0.31 0.00 0.00 175.10 174.67 3msp s LEU 69 N -1.79 5.32 0.71 1.32 2.96 -1.26 -2.51 118.68 123.43 3msp s LEU 69 Ca -0.09 -2.72 -0.12 0.00 -0.22 0.00 0.00 54.13 50.99 3msp s LEU 69 Cb -0.03 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.81 3msp s LEU 69 CO -0.01 -0.41 1.07 -0.32 -1.32 0.00 0.00 176.35 175.37 3msp s MET 70 N 0.14 2.74 -0.08 1.98 -2.45 -0.81 -4.85 119.30 115.96 3msp s MET 70 Ca 0.16 1.09 0.03 0.00 -1.25 0.00 0.00 55.69 55.72 3msp s MET 70 Cb -0.20 -1.96 0.01 0.00 1.25 0.00 0.00 34.83 33.92 3msp s MET 70 CO -0.04 -1.26 -0.18 0.00 1.05 0.00 0.00 175.02 174.59 3msp s ALA 71 N -2.87 1.71 -0.59 4.11 0.00 -0.90 -1.53 121.76 121.70 3msp s ALA 71 Ca 0.60 -0.69 -0.04 0.00 0.00 0.00 0.00 51.96 51.83 3msp s ALA 71 Cb -0.16 -0.69 0.15 0.00 0.00 0.00 0.00 23.12 22.42 3msp s ALA 71 CO 0.52 0.19 0.42 0.08 0.00 0.00 0.00 175.76 176.97 3msp s VAL 72 N 0.52 3.86 0.09 0.00 1.01 -0.71 -2.44 120.40 122.73 3msp s VAL 72 Ca -0.16 -2.63 -0.31 0.00 0.00 0.00 0.00 61.98 58.87 3msp s VAL 72 Cb -0.17 -3.52 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 3msp s VAL 72 CO 0.06 -0.85 1.51 -0.44 0.00 0.00 0.00 175.10 175.39 3msp s SER 73 N 1.23 6.71 -0.30 3.32 0.01 -0.04 -2.71 113.70 121.91 3msp s SER 73 Ca 0.14 2.40 -0.00 0.00 1.31 0.00 0.00 55.95 59.80 3msp s SER 73 Cb -0.20 -2.58 0.09 0.00 0.21 0.00 0.00 66.02 63.54 3msp s SER 73 CO -0.04 -0.78 0.07 0.00 0.41 0.00 0.00 173.24 172.91 3msp s ASP 75 N 1.55 6.71 0.99 0.00 1.01 -1.24 -2.50 116.67 123.20 3msp s ASP 75 Ca 0.08 2.12 -0.15 0.00 0.71 0.00 0.00 52.55 55.31 3msp s ASP 75 Cb -0.18 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.16 3msp s ASP 75 CO -0.20 -0.53 0.00 1.07 0.21 0.00 0.00 175.17 175.72 3msp n THR 76 N 0.02 0.00 -2.74 -1.27 5.66 -0.63 -4.98 114.28 110.34 3msp n THR 76 Ca 0.05 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 3msp n THR 76 Cb 0.49 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 3msp n THR 76 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 3msp n PHE 77 N -3.54 -0.18 -3.87 1.09 -1.74 -1.01 -4.99 117.46 103.23 3msp n PHE 77 Ca 0.04 0.00 -0.35 0.00 -0.56 0.00 0.00 57.45 56.57 3msp n PHE 77 Cb 0.57 0.00 -0.14 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 1.06 4.51 -0.16 5.98 -0.87 -1.26 -4.82 114.94 119.38 3msp s ASN 78 Ca 0.00 -0.43 0.16 0.00 -1.57 0.00 0.00 52.86 51.02 3msp s ASN 78 Cb 0.00 -1.78 0.53 0.00 -0.02 0.00 0.00 41.25 39.99 3msp s ASN 78 CO 0.00 -0.05 1.44 0.00 -2.57 0.00 0.00 177.10 175.92 3msp n ALA 79 N 4.82 2.97 -0.04 0.60 0.00 -1.26 -4.32 120.51 123.27 3msp n ALA 79 Ca -0.17 -2.08 0.05 0.00 0.00 0.00 0.00 53.44 51.23 3msp n ALA 79 Cb 0.50 -0.72 -0.17 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.20 2.41 -2.67 0.00 0.00 -1.26 -4.61 120.51 114.18 3msp n ALA 80 Ca 0.21 -0.77 -0.09 0.00 0.00 0.00 0.00 53.44 52.79 3msp n ALA 80 Cb 0.86 -0.58 0.04 0.00 0.00 0.00 0.00 19.45 19.77 3msp n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3msp n THR 81 N -2.41 0.93 -3.60 0.00 -2.24 -1.26 -5.09 114.28 100.60 3msp n THR 81 Ca -0.13 -2.93 -0.16 0.00 -2.27 0.00 0.00 64.05 58.56 3msp n THR 81 Cb 0.75 0.71 -0.07 0.00 -2.10 0.00 0.00 70.33 69.62 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 -2.90 0.90 0.36 -0.78 2.02 -1.26 -5.10 118.70 111.94 3msp s GLU 82 Ca 0.27 0.29 -0.28 0.00 0.02 0.00 0.00 54.97 55.27 3msp s GLU 82 Cb 0.45 0.42 -0.11 0.00 0.10 0.00 0.00 34.13 34.99 3msp s GLU 82 CO 0.03 -0.24 1.50 -0.51 0.02 0.00 0.00 175.26 176.06 3msp s ASP 83 N -0.88 6.36 -0.22 -0.19 1.11 -1.26 -4.89 116.67 116.68 3msp s ASP 83 Ca -0.09 3.03 0.12 0.00 0.18 0.00 0.00 52.55 55.79 3msp s ASP 83 Cb -0.02 -2.66 0.44 0.00 1.07 0.00 0.00 42.92 41.75 3msp s ASP 83 CO 0.07 -0.88 1.32 0.18 1.18 0.00 0.00 175.17 177.05 3msp n LEU 84 N 0.80 3.32 -1.13 1.23 4.77 -1.26 -4.55 117.00 120.18 3msp n LEU 84 Ca 0.02 -3.62 0.00 0.00 -0.03 0.00 0.00 56.01 52.38 3msp n LEU 84 Cb 0.39 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 3msp n LEU 84 CO 0.64 1.15 0.18 -3.20 -1.33 0.00 0.00 177.39 174.83 3msp n ASN 85 N -1.11 0.26 -0.06 -1.43 5.15 -1.26 -4.24 115.26 112.56 3msp n ASN 85 Ca 0.24 -1.92 -0.06 0.00 -0.60 0.00 0.00 54.58 52.24 3msp n ASN 85 Cb 0.84 -0.11 -0.11 0.00 -0.53 0.00 0.00 39.78 39.87 3msp n ASN 85 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3msp n ASN 86 N 0.25 1.68 -4.74 1.20 5.03 -1.26 -4.98 115.26 112.45 3msp n ASN 86 Ca -0.04 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 54.99 3msp n ASN 86 Cb 0.91 0.89 -0.02 0.00 -1.02 0.00 0.00 39.78 40.54 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 -4.59 6.51 -0.06 6.41 1.11 -1.26 -4.93 116.67 119.86 3msp s ASP 87 Ca -0.07 2.77 -0.12 0.00 0.18 0.00 0.00 52.55 55.32 3msp s ASP 87 Cb 0.04 -2.62 0.02 0.00 1.07 0.00 0.00 42.92 41.44 3msp s ASP 87 CO 0.55 -0.84 0.29 -0.13 1.18 0.00 0.00 175.17 176.22 3msp s ARG 88 N 0.23 0.51 -0.21 8.23 0.52 -1.26 -2.10 118.95 124.88 3msp s ARG 88 Ca 0.66 0.05 0.02 0.00 -0.52 0.00 0.00 55.73 55.94 3msp s ARG 88 Cb -0.45 0.23 0.04 0.00 0.52 0.00 0.00 34.95 35.28 3msp s ARG 88 CO 0.40 -0.11 -0.14 0.42 0.02 0.00 0.00 175.30 175.88 3msp s ILE 89 N -0.68 1.96 -0.22 1.52 1.01 -0.82 -2.82 121.20 121.14 3msp s ILE 89 Ca -0.08 -1.15 -0.14 0.00 0.00 0.00 0.00 60.65 59.28 3msp s ILE 89 Cb -0.04 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 3msp s ILE 89 CO 0.02 0.27 0.32 -0.89 0.00 0.00 0.00 174.94 174.66 3msp s THR 90 N 1.27 5.25 -0.26 2.92 2.01 -0.87 -0.21 115.64 125.75 3msp s THR 90 Ca -0.01 0.51 -0.01 0.00 0.31 0.00 0.00 61.69 62.50 3msp s THR 90 Cb -0.16 -3.65 0.04 0.00 0.01 0.00 0.00 72.50 68.74 3msp s THR 90 CO -0.09 0.27 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.41 3msp s ILE 91 N 1.34 2.71 0.19 1.82 1.09 -0.51 -2.46 121.20 125.38 3msp s ILE 91 Ca 0.15 -1.22 0.08 0.00 -1.10 0.00 0.00 60.65 58.55 3msp s ILE 91 Cb -0.14 -2.45 -0.04 0.00 -1.06 0.00 0.00 42.46 38.77 3msp s ILE 91 CO 0.07 0.10 0.01 -1.61 -0.10 0.00 0.00 174.94 173.41 3msp s GLU 92 N 1.26 2.42 -0.21 2.79 2.02 -1.01 -0.94 118.70 125.02 3msp s GLU 92 Ca -0.03 -1.14 -0.12 0.00 0.02 0.00 0.00 54.97 53.71 3msp s GLU 92 Cb -0.18 -2.35 0.07 0.00 0.10 0.00 0.00 34.13 31.78 3msp s GLU 92 CO -0.04 0.44 0.52 1.67 0.02 0.00 0.00 175.26 177.87 3msp s TRP 93 N -1.82 -0.80 -0.03 1.61 -2.14 -0.92 -1.79 118.94 113.05 3msp s TRP 93 Ca 0.28 1.63 0.03 0.00 2.66 0.00 0.00 56.10 60.70 3msp s TRP 93 Cb -0.09 0.42 0.00 0.00 -3.10 0.00 0.00 33.47 30.70 3msp s TRP 93 CO 0.19 -0.43 -0.11 -0.08 -2.66 0.00 0.00 176.95 173.86 3msp s THR 94 N 1.60 0.97 0.31 0.66 -1.32 -1.03 -2.50 115.64 114.34 3msp s THR 94 Ca -0.09 -0.46 -0.29 0.00 -1.21 0.00 0.00 61.69 59.64 3msp s THR 94 Cb -0.07 -0.86 -0.13 0.00 -1.51 0.00 0.00 72.50 69.93 3msp s THR 94 CO -0.16 0.30 1.32 -3.20 -2.21 0.00 0.00 174.62 170.67 3msp n ASN 95 N 3.31 2.74 -4.75 8.08 2.85 -1.26 -1.87 115.26 124.36 3msp n ASN 95 Ca -0.19 1.19 -0.40 0.00 -0.11 0.00 0.00 54.58 55.07 3msp n ASN 95 Cb 0.54 -1.47 -0.05 0.00 1.24 0.00 0.00 39.78 40.04 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 -0.82 3.83 1.05 -0.44 -4.23 -1.25 -4.86 115.64 108.91 3msp s THR 96 Ca 0.59 1.77 -0.16 0.00 -1.18 0.00 0.00 61.69 62.70 3msp s THR 96 Cb -0.59 -4.12 0.08 0.00 1.34 0.00 0.00 72.50 69.20 3msp s THR 96 CO 0.59 0.39 0.20 -2.65 -0.54 0.00 0.00 174.62 172.61 3msp n PRO 97 N 1.64 -1.03 -1.48 3.99 -0.02 -1.26 -4.69 135.00 132.15 3msp n PRO 97 Ca -0.00 -0.27 -0.45 0.00 -2.02 0.00 0.00 63.50 60.75 3msp n PRO 97 Cb 0.46 -1.78 -0.08 0.00 -0.02 0.00 0.00 33.50 32.08 3msp n PRO 97 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3msp n ASP 98 N -1.57 1.72 -3.83 2.55 8.00 -1.26 -1.37 116.55 120.79 3msp n ASP 98 Ca 0.03 0.14 -0.24 0.00 0.71 0.00 0.00 54.79 55.43 3msp n ASP 98 Cb 0.58 -1.25 0.01 0.00 -0.02 0.00 0.00 41.12 40.44 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 6.44 -0.29 0.00 0.44 0.00 -1.26 -4.93 105.19 105.59 3msp n GLY 99 Ca 0.46 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -4.36 -0.02 0.00 4.61 0.00 -0.47 -5.01 120.51 115.25 3msp n ALA 100 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3msp n ALA 100 Cb 0.66 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.16 3msp n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3msp n ALA 101 N -0.68 0.00 -2.54 0.00 0.00 -1.26 -5.06 120.51 110.98 3msp n ALA 101 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3msp n ALA 101 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.03 3.86 0.00 0.00 5.02 -1.26 -4.85 118.16 120.90 3msp n LYS 102 Ca 0.00 -3.82 0.00 0.00 -2.02 0.00 0.00 58.31 52.47 3msp n LYS 102 Cb 0.00 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.20 3msp n LYS 102 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3msp n GLN 103 N 3.17 0.00 -1.62 1.97 10.64 -1.26 -5.11 117.38 125.17 3msp n GLN 103 Ca 0.36 0.00 -0.45 0.00 -1.83 0.00 0.00 57.00 55.08 3msp n GLN 103 Cb 0.35 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.71 3msp n GLN 103 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 3msp n PHE 104 N -0.44 1.63 -4.28 2.61 7.35 -1.26 -5.00 117.46 118.08 3msp n PHE 104 Ca 0.00 0.62 -0.23 0.00 -0.76 0.00 0.00 57.45 57.08 3msp n PHE 104 Cb 0.00 -2.33 -0.12 0.00 0.35 0.00 0.00 39.48 37.38 3msp n PHE 104 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 3msp s ARG 105 N -1.21 1.07 -0.34 -4.13 6.06 -1.26 -5.03 118.95 114.11 3msp s ARG 105 Ca 0.62 -1.11 0.09 0.00 -2.50 0.00 0.00 55.73 52.83 3msp s ARG 105 Cb -0.69 -1.28 0.73 0.00 0.06 0.00 0.00 34.95 33.77 3msp s ARG 105 CO 0.57 0.30 1.82 -2.13 -2.50 0.00 0.00 175.30 173.36 3msp n ARG 106 N 1.17 3.49 -0.00 5.12 0.63 -1.26 -4.11 116.66 121.70 3msp n ARG 106 Ca -0.20 -3.03 0.02 0.00 -0.92 0.00 0.00 57.85 53.72 3msp n ARG 106 Cb 0.54 -2.21 -0.02 0.00 0.45 0.00 0.00 32.46 31.22 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 -0.29 2.12 0.26 -0.14 0.28 -1.26 -4.59 120.64 117.02 3msp n GLU 107 Ca 0.44 -0.02 0.17 0.00 -0.16 0.00 0.00 57.16 57.59 3msp n GLU 107 Cb 1.43 -0.93 0.70 0.00 1.43 0.00 0.00 31.44 34.07 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 -0.54 -1.84 6.55 -1.99 -2.80 115.95 115.33 3msp h TRP 108 Ca 0.00 0.00 -0.31 0.00 0.95 0.00 0.00 58.89 59.53 3msp h TRP 108 Cb 0.13 0.00 -0.18 0.00 -0.86 0.00 0.00 29.16 28.24 3msp h TRP 108 CO 0.00 0.00 0.05 1.19 -1.05 0.00 0.00 178.44 178.63 3msp n PHE 109 N -2.97 1.71 -0.01 0.49 3.01 -1.26 -4.44 117.46 114.00 3msp n PHE 109 Ca 0.00 -1.81 0.02 0.00 1.01 0.00 0.00 57.45 56.67 3msp n PHE 109 Cb 0.27 -0.63 -0.04 0.00 -0.01 0.00 0.00 39.48 39.07 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 -1.09 0.75 -1.42 -1.08 -0.00 -1.06 -5.05 117.38 108.44 3msp n GLN 110 Ca 0.41 -0.04 -0.29 0.00 -0.00 0.00 0.00 57.00 57.08 3msp n GLN 110 Cb 1.12 -1.12 0.23 0.00 -0.00 0.00 0.00 30.24 30.47 3msp n GLN 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3msp n GLY 111 N 2.32 -2.19 3.68 2.61 0.00 -1.26 -5.03 105.19 105.33 3msp n GLY 111 Ca -0.02 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 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 -5.05 6.26 0.00 1.61 1.11 -1.26 -4.96 116.67 114.39 3msp s ASP 112 Ca 0.72 0.30 0.00 0.00 0.18 0.00 0.00 52.55 53.75 3msp s ASP 112 Cb -0.05 -2.15 0.00 0.00 1.07 0.00 0.00 42.92 41.79 3msp s ASP 112 CO 0.53 0.04 0.00 0.61 1.18 0.00 0.00 175.17 177.53 3msp n GLY 113 N 3.96 -2.09 1.41 0.21 0.00 -1.26 -5.08 105.19 102.34 3msp n GLY 113 Ca -0.13 -1.62 0.17 0.00 0.00 0.00 0.00 46.02 44.45 3msp n GLY 113 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3msp n MET 114 N -0.09 -3.11 -0.78 1.61 2.81 -1.26 -5.04 117.12 111.27 3msp n MET 114 Ca 0.00 2.47 0.00 0.00 -1.81 0.00 0.00 57.70 58.36 3msp n MET 114 Cb 0.00 -3.70 0.00 0.00 -0.71 0.00 0.00 33.22 28.81 3msp n MET 114 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3msp n VAL 115 N -4.26 -1.72 -3.93 2.03 0.31 -1.26 -5.06 118.33 104.44 3msp n VAL 115 Ca -0.07 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.97 3msp n VAL 115 Cb 0.66 -2.41 -0.04 0.00 -0.91 0.00 0.00 33.84 31.15 3msp n VAL 115 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3msp s ARG 116 N -2.08 3.43 -0.02 5.55 1.81 -1.04 -4.95 118.95 121.64 3msp s ARG 116 Ca 0.00 -0.50 0.07 0.00 -1.72 0.00 0.00 55.73 53.58 3msp s ARG 116 Cb 0.00 -3.01 -0.02 0.00 -0.45 0.00 0.00 34.95 31.47 3msp s ARG 116 CO 0.00 0.58 -0.24 0.50 -0.68 0.00 0.00 175.30 175.46 3msp s ARG 117 N -2.76 2.15 0.24 3.54 3.52 -1.26 -2.17 118.95 122.20 3msp s ARG 117 Ca 0.35 -0.91 0.07 0.00 -0.13 0.00 0.00 55.73 55.11 3msp s ARG 117 Cb -0.12 -2.09 -0.05 0.00 -1.56 0.00 0.00 34.95 31.12 3msp s ARG 117 CO 0.28 0.57 -0.11 0.21 -0.81 0.00 0.00 175.30 175.44 3msp s LYS 118 N -0.69 1.43 0.09 5.12 2.20 -0.12 -4.97 119.74 122.80 3msp s LYS 118 Ca 0.10 -1.68 0.05 0.00 -0.36 0.00 0.00 55.97 54.09 3msp s LYS 118 Cb -0.10 -1.14 -0.03 0.00 -1.51 0.00 0.00 37.83 35.05 3msp s LYS 118 CO -0.00 0.12 -0.13 -0.80 -0.36 0.00 0.00 175.35 174.17 3msp s ASN 119 N -3.37 1.71 -0.32 1.43 -0.87 -1.26 -1.42 114.94 110.84 3msp s ASN 119 Ca 0.26 -0.71 -0.02 0.00 -1.57 0.00 0.00 52.86 50.81 3msp s ASN 119 Cb 0.01 -0.04 0.12 0.00 -0.02 0.00 0.00 41.25 41.32 3msp s ASN 119 CO 0.09 -0.14 0.16 -0.76 -2.57 0.00 0.00 177.10 173.89 3msp s LEU 120 N -2.10 0.86 0.14 0.60 1.02 0.70 -4.79 118.68 115.11 3msp s LEU 120 Ca 0.03 -1.70 -0.31 0.00 0.02 0.00 0.00 54.13 52.16 3msp s LEU 120 Cb -0.07 -0.41 -0.10 0.00 0.02 0.00 0.00 46.19 45.63 3msp s LEU 120 CO 0.02 -0.38 1.69 -2.16 0.02 0.00 0.00 176.35 175.54 3msp s PRO 121 N 1.62 4.17 0.21 1.29 0.04 -1.26 -1.94 135.00 139.13 3msp s PRO 121 Ca 0.13 2.46 -0.01 0.00 0.04 0.00 0.00 61.00 63.62 3msp s PRO 121 Cb -0.19 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 3msp s PRO 121 CO -0.20 -0.73 0.41 0.42 0.04 0.00 0.00 177.00 176.94 3msp s ILE 122 N 1.97 5.18 0.13 0.56 -1.09 -0.89 -2.53 121.20 124.53 3msp s ILE 122 Ca 0.75 -0.30 -0.07 0.00 -2.23 0.00 0.00 60.65 58.80 3msp s ILE 122 Cb -0.44 -3.73 -0.01 0.00 -1.58 0.00 0.00 42.46 36.69 3msp s ILE 122 CO 0.33 -0.19 0.20 -1.61 -1.23 0.00 0.00 174.94 172.43 3msp s GLU 123 N -3.35 0.98 -0.14 2.79 2.02 0.02 -4.65 118.70 116.37 3msp s GLU 123 Ca 0.39 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 54.24 3msp s GLU 123 Cb -0.11 0.33 0.02 0.00 0.10 0.00 0.00 34.13 34.47 3msp s GLU 123 CO 0.29 -0.32 -0.13 0.71 0.02 0.00 0.00 175.26 175.82 3msp s TYR 124 N -3.94 2.04 -0.85 1.61 1.51 -1.26 -0.72 117.35 115.74 3msp s TYR 124 Ca 0.13 -1.10 -0.13 0.00 -1.01 0.00 0.00 57.07 54.96 3msp s TYR 124 Cb 0.05 -1.52 0.22 0.00 -0.11 0.00 0.00 41.96 40.61 3msp s TYR 124 CO -0.04 -0.62 0.79 1.21 -1.11 0.00 0.00 175.55 175.78 3msp s ASN 125 N 1.44 6.74 0.00 2.29 2.47 -0.64 -4.95 114.94 122.29 3msp s ASN 125 Ca 0.03 -2.81 0.09 0.00 0.42 0.00 0.00 52.86 50.60 3msp s ASN 125 Cb -0.13 -2.19 0.54 0.00 -1.45 0.00 0.00 41.25 38.02 3msp s ASN 125 CO -0.09 -0.53 0.99 0.18 -3.72 0.00 0.00 177.10 173.93