#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3msp n GLN 2 N 0.00 -4.40 -4.28 0.00 1.13 -1.26 -5.06 117.38 103.51 3msp n GLN 2 Ca 0.00 3.28 -0.15 0.00 -1.94 0.00 0.00 57.00 58.19 3msp n GLN 2 Cb 0.00 -3.69 -0.10 0.00 0.11 0.00 0.00 30.24 26.56 3msp n GLN 2 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3msp s SER 3 N -3.34 0.98 -0.27 1.08 1.04 -1.26 -5.15 113.70 106.79 3msp s SER 3 Ca 0.00 -1.34 -0.02 0.00 0.48 0.00 0.00 55.95 55.07 3msp s SER 3 Cb 0.00 0.20 0.12 0.00 0.10 0.00 0.00 66.02 66.44 3msp s SER 3 CO 0.00 -0.72 0.26 0.68 0.98 0.00 0.00 173.24 174.44 3msp s VAL 4 N -3.82 -0.36 0.66 5.02 -7.23 -1.26 -5.16 120.40 108.25 3msp s VAL 4 Ca 0.35 -0.40 -0.11 0.00 -1.81 0.00 0.00 61.98 60.02 3msp s VAL 4 Cb 0.07 -0.90 -0.01 0.00 0.56 0.00 0.00 36.38 36.10 3msp s VAL 4 CO 0.11 -0.41 1.05 -2.16 -0.31 0.00 0.00 175.10 173.38 3msp s PRO 5 N 2.34 3.22 -0.39 4.82 0.04 -1.26 -4.85 135.00 138.92 3msp s PRO 5 Ca 0.09 0.84 -0.29 0.00 0.04 0.00 0.00 61.00 61.68 3msp s PRO 5 Cb -0.15 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3msp s PRO 5 CO -0.27 -0.87 1.46 -1.25 0.04 0.00 0.00 177.00 176.11 3msp s PRO 6 N -5.12 3.56 0.16 0.56 0.04 -1.26 -4.96 135.00 127.98 3msp s PRO 6 Ca 0.57 1.03 -0.34 0.00 0.04 0.00 0.00 61.00 62.30 3msp s PRO 6 Cb -0.13 -4.04 -0.15 0.00 0.04 0.00 0.00 34.50 30.22 3msp s PRO 6 CO 0.54 -1.58 1.29 0.41 0.04 0.00 0.00 177.00 177.70 3msp n GLY 7 N 5.08 0.38 3.70 0.56 0.00 -1.26 -4.86 105.19 108.79 3msp n GLY 7 Ca 0.17 0.59 -0.42 0.00 0.00 0.00 0.00 46.02 46.36 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 2.31 2.70 -4.83 1.61 8.00 -1.26 -4.58 116.55 120.51 3msp n ASP 8 Ca 0.16 1.19 -0.33 0.00 0.71 0.00 0.00 54.79 56.52 3msp n ASP 8 Cb 0.24 -1.48 -0.06 0.00 -0.02 0.00 0.00 41.12 39.80 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 -1.11 4.98 0.07 0.53 -4.36 -1.26 -2.95 121.20 117.10 3msp s ILE 9 Ca 0.56 -0.36 -0.14 0.00 -0.26 0.00 0.00 60.65 60.46 3msp s ILE 9 Cb -0.56 -3.32 -0.06 0.00 1.25 0.00 0.00 42.46 39.77 3msp s ILE 9 CO 0.62 0.31 0.47 0.20 0.24 0.00 0.00 174.94 176.77 3msp s ASN 10 N -1.91 6.80 0.06 4.36 0.01 -0.97 -4.94 114.94 118.35 3msp s ASN 10 Ca 0.26 0.98 0.03 0.00 -0.71 0.00 0.00 52.86 53.42 3msp s ASN 10 Cb -0.12 -2.25 -0.03 0.00 0.41 0.00 0.00 41.25 39.25 3msp s ASN 10 CO 0.17 0.21 -0.10 0.42 -1.51 0.00 0.00 177.10 176.29 3msp s THR 11 N -1.28 0.79 -0.17 1.60 -4.23 -1.26 -1.94 115.64 109.14 3msp s THR 11 Ca 0.31 -1.30 -0.03 0.00 -1.18 0.00 0.00 61.69 59.49 3msp s THR 11 Cb -0.16 -0.94 0.06 0.00 1.34 0.00 0.00 72.50 72.80 3msp s THR 11 CO 0.17 -0.40 0.04 -1.10 -0.54 0.00 0.00 174.62 172.79 3msp s GLN 12 N -1.97 0.54 1.02 3.99 -0.21 0.01 -2.36 119.66 120.67 3msp s GLN 12 Ca -0.04 -0.28 -0.12 0.00 0.02 0.00 0.00 55.36 54.94 3msp s GLN 12 Cb -0.08 -1.89 0.20 0.00 1.00 0.00 0.00 33.01 32.24 3msp s GLN 12 CO 0.01 -0.60 1.08 -1.25 -2.12 0.00 0.00 175.29 172.41 3msp s PRO 13 N 1.92 0.25 0.00 2.91 0.04 -1.26 -2.42 135.00 136.44 3msp s PRO 13 Ca 0.00 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.12 3msp s PRO 13 Cb -0.16 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.71 3msp s PRO 13 CO -0.08 -3.00 0.99 0.45 0.04 0.00 0.00 177.00 175.40 3msp n SER 14 N -4.44 0.00 -2.58 6.66 2.88 -0.99 -4.47 113.62 110.67 3msp n SER 14 Ca 0.07 0.99 -0.02 0.00 -1.33 0.00 0.00 58.87 58.58 3msp n SER 14 Cb 0.54 -0.49 0.10 0.00 -0.75 0.00 0.00 64.21 63.61 3msp n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3msp n GLN 15 N -2.68 1.34 -3.64 -1.46 6.02 -1.26 -4.44 117.38 111.27 3msp n GLN 15 Ca 0.00 -1.77 -0.10 0.00 -0.01 0.00 0.00 57.00 55.12 3msp n GLN 15 Cb 0.00 -0.07 -0.07 0.00 1.02 0.00 0.00 30.24 31.13 3msp n GLN 15 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3msp s LYS 16 N -0.83 0.62 -0.11 -1.09 -2.85 -1.26 -4.01 119.74 110.21 3msp s LYS 16 Ca 0.13 0.80 -0.10 0.00 -1.00 0.00 0.00 55.97 55.81 3msp s LYS 16 Cb 0.39 0.27 0.03 0.00 -2.06 0.00 0.00 37.83 36.46 3msp s LYS 16 CO -0.10 -0.08 0.30 -1.50 0.10 0.00 0.00 175.35 174.06 3msp s ILE 17 N 0.54 -0.01 -0.22 3.79 2.07 -1.04 -4.58 121.20 121.76 3msp s ILE 17 Ca -0.01 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.27 3msp s ILE 17 Cb -0.05 -0.42 0.03 0.00 0.13 0.00 0.00 42.46 42.15 3msp s ILE 17 CO -0.06 0.01 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.14 3msp s VAL 18 N 0.35 2.24 -0.77 4.00 1.01 -1.26 -1.99 120.40 123.98 3msp s VAL 18 Ca -0.02 -1.16 -0.26 0.00 0.00 0.00 0.00 61.98 60.55 3msp s VAL 18 Cb -0.03 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 3msp s VAL 18 CO -0.01 0.31 1.70 -0.36 0.00 0.00 0.00 175.10 176.74 3msp s PHE 19 N 1.24 1.95 0.22 5.22 0.40 0.08 -4.80 117.98 122.30 3msp s PHE 19 Ca 0.00 0.34 -0.30 0.00 -0.60 0.00 0.00 56.93 56.37 3msp s PHE 19 Cb -0.16 -4.28 -0.09 0.00 0.51 0.00 0.00 43.02 39.01 3msp s PHE 19 CO -0.09 -2.06 1.26 -0.80 0.70 0.00 0.00 175.22 174.23 3msp s ASN 20 N 6.73 6.97 0.97 1.36 0.01 -1.26 -1.30 114.94 128.41 3msp s ASN 20 Ca 0.58 2.38 -0.14 0.00 -0.71 0.00 0.00 52.86 54.97 3msp s ASN 20 Cb -0.08 -2.62 0.17 0.00 0.41 0.00 0.00 41.25 39.14 3msp s ASN 20 CO 0.09 -0.45 1.16 0.00 -1.51 0.00 0.00 177.10 176.40 3msp s ALA 21 N -0.21 1.63 0.65 0.60 0.00 -0.61 -4.78 121.76 119.04 3msp s ALA 21 Ca 0.53 -0.70 -0.10 0.00 0.00 0.00 0.00 51.96 51.70 3msp s ALA 21 Cb -0.35 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3msp s ALA 21 CO 0.40 -2.54 1.02 -1.25 0.00 0.00 0.00 175.76 173.39 3msp s PRO 22 N -5.39 2.99 -0.73 0.00 0.04 -1.26 -5.07 135.00 125.59 3msp s PRO 22 Ca 0.67 0.35 -0.01 0.00 0.04 0.00 0.00 61.00 62.04 3msp s PRO 22 Cb -0.12 -2.12 0.40 0.00 0.04 0.00 0.00 34.50 32.70 3msp s PRO 22 CO 0.54 -0.85 1.94 0.66 0.04 0.00 0.00 177.00 179.33 3msp n TYR 23 N -2.82 3.10 -0.25 0.56 4.01 -1.26 -4.31 117.16 116.19 3msp n TYR 23 Ca 0.06 -2.66 0.00 0.00 -0.16 0.00 0.00 57.90 55.14 3msp n TYR 23 Cb 0.57 -1.20 0.00 0.00 -0.31 0.00 0.00 39.34 38.40 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 -0.70 1.36 0.00 7.72 8.00 -1.26 -2.06 116.55 129.61 3msp n ASP 24 Ca 0.56 -1.61 0.00 0.00 0.71 0.00 0.00 54.79 54.45 3msp n ASP 24 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 3msp n ASP 24 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3msp n ASP 25 N -0.30 0.31 -1.57 -2.24 2.03 -1.26 -4.98 116.55 108.54 3msp n ASP 25 Ca 0.00 -1.14 0.00 0.00 0.52 0.00 0.00 54.79 54.17 3msp n ASP 25 Cb 0.26 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 3msp n ASP 25 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3msp n LYS 26 N -0.07 -4.48 -3.50 -0.67 5.02 -1.26 -4.98 118.16 108.22 3msp n LYS 26 Ca 0.00 3.31 -0.29 0.00 -2.02 0.00 0.00 58.31 59.32 3msp n LYS 26 Cb 0.42 -3.71 -0.14 0.00 -0.02 0.00 0.00 35.03 31.58 3msp n LYS 26 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3msp s HIS 27 N -3.08 0.46 -0.22 2.13 3.76 -1.26 -5.06 115.29 112.02 3msp s HIS 27 Ca 0.00 -1.17 -0.29 0.00 -0.15 0.00 0.00 55.06 53.45 3msp s HIS 27 Cb 0.00 -0.89 -0.00 0.00 1.11 0.00 0.00 32.58 32.80 3msp s HIS 27 CO 0.00 -0.83 1.24 0.99 -0.85 0.00 0.00 174.74 175.29 3msp s THR 28 N 1.68 4.29 -0.38 1.30 2.01 -1.26 -4.39 115.64 118.89 3msp s THR 28 Ca 0.13 1.52 -0.13 0.00 0.31 0.00 0.00 61.69 63.52 3msp s THR 28 Cb -0.19 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.23 3msp s THR 28 CO -0.21 -0.27 0.24 -0.31 -0.69 0.00 0.00 174.62 173.39 3msp s TYR 29 N 3.76 3.23 0.07 4.92 2.02 -1.21 -4.93 117.35 125.22 3msp s TYR 29 Ca 0.54 -0.62 -0.25 0.00 -0.37 0.00 0.00 57.07 56.36 3msp s TYR 29 Cb -0.19 -2.50 -0.06 0.00 -0.40 0.00 0.00 41.96 38.81 3msp s TYR 29 CO 0.16 -0.55 0.79 -1.01 -1.57 0.00 0.00 175.55 173.37 3msp s HIS 30 N 1.64 3.77 -0.07 2.71 3.76 -1.26 -2.40 115.29 123.44 3msp s HIS 30 Ca 0.04 1.53 0.02 0.00 -0.15 0.00 0.00 55.06 56.50 3msp s HIS 30 Cb -0.19 -2.83 -0.03 0.00 1.11 0.00 0.00 32.58 30.65 3msp s HIS 30 CO 0.09 0.30 -0.12 0.42 -0.85 0.00 0.00 174.74 174.58 3msp s ILE 31 N -0.21 3.27 -0.18 0.60 1.01 -0.76 -4.77 121.20 120.15 3msp s ILE 31 Ca 0.39 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 3msp s ILE 31 Cb -0.21 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 3msp s ILE 31 CO 0.24 0.58 -0.06 -0.54 0.00 0.00 0.00 174.94 175.16 3msp s LYS 32 N -0.54 3.47 0.20 2.79 1.02 -1.02 -1.76 119.74 123.90 3msp s LYS 32 Ca 0.08 -0.61 0.11 0.00 0.02 0.00 0.00 55.97 55.57 3msp s LYS 32 Cb -0.12 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 3msp s LYS 32 CO 0.02 0.05 -0.23 0.42 -0.92 0.00 0.00 175.35 174.68 3msp s ILE 33 N 0.84 2.30 0.09 2.17 1.01 -1.05 -0.81 121.20 125.75 3msp s ILE 33 Ca -0.02 -2.06 -0.13 0.00 0.00 0.00 0.00 60.65 58.44 3msp s ILE 33 Cb -0.15 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.23 3msp s ILE 33 CO 0.01 -0.17 0.31 -0.89 0.00 0.00 0.00 174.94 174.20 3msp s THR 34 N -1.81 0.09 -0.44 2.92 2.01 -0.82 -1.63 115.64 115.96 3msp s THR 34 Ca 0.21 -0.78 -0.18 0.00 0.31 0.00 0.00 61.69 61.26 3msp s THR 34 Cb -0.07 -1.14 0.03 0.00 0.01 0.00 0.00 72.50 71.32 3msp s THR 34 CO 0.10 -0.43 0.48 0.21 -0.69 0.00 0.00 174.62 174.29 3msp s ASN 35 N -2.57 6.20 -0.22 3.53 3.04 -0.70 -2.30 114.94 121.92 3msp s ASN 35 Ca 0.01 -0.74 0.09 0.00 0.04 0.00 0.00 52.86 52.26 3msp s ASN 35 Cb 0.02 -2.24 0.61 0.00 -1.54 0.00 0.00 41.25 38.10 3msp s ASN 35 CO -0.09 -0.65 1.53 0.00 -3.04 0.00 0.00 177.10 174.85 3msp n ALA 36 N 5.70 3.90 -2.78 1.71 0.00 -1.15 -1.80 120.51 126.09 3msp n ALA 36 Ca -0.07 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.70 3msp n ALA 36 Cb 0.47 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.18 4.80 0.00 0.00 0.00 -1.26 -4.55 105.19 104.37 3msp n GLY 37 Ca 0.27 -1.87 0.01 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.05 3.37 -0.02 0.00 -1.26 -4.65 105.19 107.58 3msp n GLY 38 Ca 0.00 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.11 1.37 1.13 1.61 0.52 -1.26 -4.62 118.95 115.58 3msp s ARG 39 Ca -0.01 -1.39 -0.17 0.00 -0.52 0.00 0.00 55.73 53.64 3msp s ARG 39 Cb 0.01 -1.66 0.15 0.00 0.52 0.00 0.00 34.95 33.97 3msp s ARG 39 CO 0.10 0.37 0.29 2.89 0.02 0.00 0.00 175.30 178.97 3msp n ARG 40 N 0.56 -1.75 -3.63 3.54 0.00 -1.26 -4.57 116.66 109.55 3msp n ARG 40 Ca -0.15 -0.49 -0.16 0.00 -0.00 0.00 0.00 57.85 57.05 3msp n ARG 40 Cb 0.55 -1.83 -0.07 0.00 -0.00 0.00 0.00 32.46 31.10 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 -2.29 0.02 -0.33 8.89 -4.36 -0.84 -3.33 121.20 118.96 3msp s ILE 41 Ca 0.59 -0.19 -0.09 0.00 -0.26 0.00 0.00 60.65 60.71 3msp s ILE 41 Cb -0.16 -0.82 0.02 0.00 1.25 0.00 0.00 42.46 42.75 3msp s ILE 41 CO 0.66 -0.11 0.14 -0.83 0.24 0.00 0.00 174.94 175.04 3msp s GLY 42 N -1.11 1.86 0.27 6.27 0.00 -0.93 -2.28 107.32 111.40 3msp s GLY 42 Ca -0.11 -1.58 0.06 0.00 0.00 0.00 0.00 44.72 43.09 3msp s GLY 42 CO 0.07 0.74 0.33 0.66 0.00 0.00 0.00 173.10 174.90 3msp s TRP 43 N 1.52 3.24 0.01 1.90 1.48 -0.37 -2.34 118.94 124.38 3msp s TRP 43 Ca 0.02 -0.11 -0.09 0.00 -1.06 0.00 0.00 56.10 54.86 3msp s TRP 43 Cb -0.18 -1.63 0.01 0.00 -1.16 0.00 0.00 33.47 30.50 3msp s TRP 43 CO 0.05 0.35 0.18 0.00 -4.06 0.00 0.00 176.95 173.47 3msp s ALA 44 N -2.09 -0.41 0.02 2.67 0.00 -0.12 -2.00 121.76 119.84 3msp s ALA 44 Ca 0.37 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 52.28 3msp s ALA 44 Cb -0.08 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 3msp s ALA 44 CO 0.28 -0.26 -0.16 0.42 0.00 0.00 0.00 175.76 176.05 3msp s ILE 45 N -1.70 2.95 0.02 0.00 -1.09 -0.21 -2.19 121.20 118.98 3msp s ILE 45 Ca -0.12 -1.05 0.02 0.00 -2.23 0.00 0.00 60.65 57.27 3msp s ILE 45 Cb -0.05 -2.23 -0.01 0.00 -1.58 0.00 0.00 42.46 38.58 3msp s ILE 45 CO 0.01 0.39 -0.07 -0.54 -1.23 0.00 0.00 174.94 173.49 3msp s LYS 46 N -1.32 0.54 0.03 2.79 -0.14 -0.52 -4.95 119.74 116.16 3msp s LYS 46 Ca 0.15 -0.45 0.01 0.00 -1.36 0.00 0.00 55.97 54.31 3msp s LYS 46 Cb -0.11 -0.46 -0.02 0.00 -1.68 0.00 0.00 37.83 35.57 3msp s LYS 46 CO 0.05 0.11 -0.05 0.95 -0.76 0.00 0.00 175.35 175.66 3msp s THR 47 N -0.63 0.26 0.34 2.17 -4.23 -1.26 -1.63 115.64 110.66 3msp s THR 47 Ca -0.02 -1.02 0.02 0.00 -1.18 0.00 0.00 61.69 59.49 3msp s THR 47 Cb -0.05 -0.45 0.23 0.00 1.34 0.00 0.00 72.50 73.57 3msp s THR 47 CO 0.00 -0.49 1.97 0.71 -0.54 0.00 0.00 174.62 176.27 3msp h THR 48 N 4.50 1.17 -3.21 3.99 1.35 -1.90 -3.40 112.91 115.42 3msp h THR 48 Ca -0.33 -0.42 -0.45 0.00 -0.55 0.00 0.00 66.41 64.65 3msp h THR 48 Cb 1.20 0.40 -0.40 0.00 -1.73 0.00 0.00 68.15 67.63 3msp h THR 48 CO 0.42 0.19 -0.76 0.20 -0.25 0.00 0.00 175.52 175.33 3msp s ASN 49 N -6.54 2.06 -0.01 5.36 -0.87 -1.26 -5.00 114.94 108.68 3msp s ASN 49 Ca -0.10 -0.40 0.12 0.00 -1.57 0.00 0.00 52.86 50.92 3msp s ASN 49 Cb 0.17 -0.36 0.35 0.00 -0.02 0.00 0.00 41.25 41.39 3msp s ASN 49 CO 0.77 -0.28 1.28 0.23 -2.57 0.00 0.00 177.10 176.53 3msp n MET 50 N 5.19 1.97 -0.10 -0.60 2.81 -1.26 -3.03 117.12 122.11 3msp n MET 50 Ca -0.07 -1.42 -0.15 0.00 -1.81 0.00 0.00 57.70 54.25 3msp n MET 50 Cb 0.49 -1.34 -0.14 0.00 -0.71 0.00 0.00 33.22 31.52 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 0.63 0.67 -0.01 0.03 1.85 -1.26 -4.46 116.66 114.11 3msp n ARG 51 Ca 0.13 0.12 0.00 0.00 -1.00 0.00 0.00 57.85 57.10 3msp n ARG 51 Cb 0.35 -1.56 -0.12 0.00 -1.05 0.00 0.00 32.46 30.08 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 -3.08 0.65 -5.20 2.89 0.63 -1.25 -4.91 116.66 106.38 3msp n ARG 52 Ca -0.37 0.08 -0.31 0.00 -0.92 0.00 0.00 57.85 56.33 3msp n ARG 52 Cb 1.06 -1.68 -0.16 0.00 0.45 0.00 0.00 32.46 32.14 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 -5.44 2.08 -0.19 6.15 1.43 -1.17 -3.32 118.68 118.22 3msp s LEU 53 Ca -0.06 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.52 3msp s LEU 53 Cb 0.09 -1.32 0.06 0.00 0.03 0.00 0.00 46.19 45.05 3msp s LEU 53 CO 0.84 0.30 0.02 -0.94 0.23 0.00 0.00 176.35 176.80 3msp s SER 54 N -0.76 2.87 -0.26 2.29 1.04 -0.60 -4.36 113.70 113.92 3msp s SER 54 Ca 0.10 -0.79 -0.10 0.00 0.48 0.00 0.00 55.95 55.65 3msp s SER 54 Cb -0.10 -0.64 -0.05 0.00 0.10 0.00 0.00 66.02 65.34 3msp s SER 54 CO -0.00 -0.29 0.15 0.68 0.98 0.00 0.00 173.24 174.76 3msp s VAL 55 N 1.83 5.10 -0.05 5.02 -7.23 -1.25 -1.48 120.40 122.33 3msp s VAL 55 Ca -0.01 0.09 -0.02 0.00 -1.81 0.00 0.00 61.98 60.24 3msp s VAL 55 Cb -0.17 -3.40 0.03 0.00 0.56 0.00 0.00 36.38 33.40 3msp s VAL 55 CO -0.08 0.30 0.10 -0.62 -0.31 0.00 0.00 175.10 174.50 3msp s ASP 56 N 1.48 -0.05 0.32 4.85 2.15 -0.86 -3.04 116.67 121.52 3msp s ASP 56 Ca 0.07 0.20 -0.28 0.00 0.43 0.00 0.00 52.55 52.96 3msp s ASP 56 Cb -0.15 0.10 -0.10 0.00 -0.30 0.00 0.00 42.92 42.47 3msp s ASP 56 CO 0.07 -0.13 1.16 -2.16 -0.17 0.00 0.00 175.17 173.95 3msp s PRO 57 N 1.03 4.46 0.18 4.34 0.04 -1.26 -1.91 135.00 141.88 3msp s PRO 57 Ca -0.08 1.91 -0.09 0.00 0.04 0.00 0.00 61.00 62.78 3msp s PRO 57 Cb -0.11 -3.06 0.06 0.00 0.04 0.00 0.00 34.50 31.43 3msp s PRO 57 CO -0.04 0.02 1.60 -1.00 0.04 0.00 0.00 177.00 177.61 3msp h PRO 58 N 3.48 1.01 -4.61 0.56 0.13 -1.94 -3.46 132.00 127.17 3msp h PRO 58 Ca -0.48 -0.38 -0.24 0.00 -0.87 0.00 0.00 66.00 64.03 3msp h PRO 58 Cb 1.22 -0.06 -0.15 0.00 0.13 0.00 0.00 31.00 32.14 3msp h PRO 58 CO 0.66 1.06 -0.64 0.00 -0.23 0.00 0.00 178.00 178.85 3msp n GLY 60 N -0.23 -1.19 3.27 0.00 0.00 -0.85 -5.01 105.19 101.19 3msp n GLY 60 Ca -0.03 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 3msp n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3msp s VAL 61 N -3.00 -0.00 0.06 1.61 0.11 -1.26 -1.24 120.40 116.68 3msp s VAL 61 Ca 0.00 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.09 3msp s VAL 61 Cb 0.00 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 3msp s VAL 61 CO 0.00 0.01 -0.10 -1.48 -3.33 0.00 0.00 175.10 170.20 3msp s LEU 62 N 0.35 2.30 0.88 2.54 2.34 -0.96 -4.95 118.68 121.18 3msp s LEU 62 Ca -0.01 -0.63 -0.11 0.00 0.06 0.00 0.00 54.13 53.44 3msp s LEU 62 Cb -0.03 -0.27 0.18 0.00 -0.56 0.00 0.00 46.19 45.50 3msp s LEU 62 CO -0.01 -0.19 1.21 -1.81 -1.06 0.00 0.00 176.35 174.49 3msp s ASP 63 N -1.83 3.53 0.14 1.48 1.01 -1.26 -1.99 116.67 117.75 3msp s ASP 63 Ca -0.04 0.04 -0.31 0.00 0.71 0.00 0.00 52.55 52.95 3msp s ASP 63 Cb -0.08 -0.20 -0.10 0.00 1.01 0.00 0.00 42.92 43.55 3msp s ASP 63 CO 0.01 -2.44 1.70 -2.84 0.21 0.00 0.00 175.17 171.80 3msp s PRO 64 N -5.64 4.17 0.00 8.23 0.02 -1.26 -1.83 135.00 138.69 3msp s PRO 64 Ca 0.71 2.47 0.00 0.00 0.02 0.00 0.00 61.00 64.21 3msp s PRO 64 Cb -0.04 -3.37 0.00 0.00 0.02 0.00 0.00 34.50 31.11 3msp s PRO 64 CO 0.50 -0.73 0.00 1.17 -0.33 0.00 0.00 177.00 177.61 3msp n LYS 65 N 4.84 0.00 -2.30 5.54 3.00 -0.74 -4.98 118.16 123.52 3msp n LYS 65 Ca 0.16 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.16 3msp n LYS 65 Cb 0.38 -1.57 -0.02 0.00 0.00 0.00 0.00 35.03 33.83 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 -0.08 3.78 0.05 1.64 2.02 -0.76 -4.74 118.70 120.62 3msp s GLU 66 Ca 0.00 0.77 0.03 0.00 0.02 0.00 0.00 54.97 55.79 3msp s GLU 66 Cb 0.00 -2.17 -0.03 0.00 0.10 0.00 0.00 34.13 32.04 3msp s GLU 66 CO 0.00 -0.33 -0.11 -1.59 0.02 0.00 0.00 175.26 173.25 3msp s LYS 67 N -4.46 0.66 0.15 1.61 0.00 -1.26 -1.72 119.74 114.73 3msp s LYS 67 Ca 0.56 -0.83 0.10 0.00 0.00 0.00 0.00 55.97 55.80 3msp s LYS 67 Cb -0.10 -0.54 -0.04 0.00 0.00 0.00 0.00 37.83 37.15 3msp s LYS 67 CO 0.40 0.11 -0.24 0.14 0.00 0.00 0.00 175.35 175.77 3msp s VAL 68 N -1.30 2.14 -0.11 1.79 -7.23 -0.65 -4.97 120.40 110.07 3msp s VAL 68 Ca -0.06 -1.85 -0.04 0.00 -1.81 0.00 0.00 61.98 58.22 3msp s VAL 68 Cb -0.10 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 3msp s VAL 68 CO 0.01 -0.08 0.04 -0.76 -0.31 0.00 0.00 175.10 174.01 3msp s LEU 69 N -2.36 3.80 0.12 1.32 1.43 -1.26 -2.54 118.68 119.20 3msp s LEU 69 Ca 0.16 0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.53 3msp s LEU 69 Cb -0.09 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 3msp s LEU 69 CO 0.07 0.36 -0.14 -0.04 0.23 0.00 0.00 176.35 176.82 3msp s MET 70 N -0.73 1.02 -0.09 1.70 -1.94 -0.73 -4.31 119.30 114.23 3msp s MET 70 Ca 0.12 -1.22 -0.02 0.00 -1.71 0.00 0.00 55.69 52.86 3msp s MET 70 Cb -0.12 -0.93 0.04 0.00 2.01 0.00 0.00 34.83 35.83 3msp s MET 70 CO 0.02 0.18 0.04 0.00 -0.01 0.00 0.00 175.02 175.26 3msp s ALA 71 N -2.03 0.51 -0.81 3.03 0.00 -0.80 -1.84 121.76 119.82 3msp s ALA 71 Ca 0.08 -0.09 -0.07 0.00 0.00 0.00 0.00 51.96 51.88 3msp s ALA 71 Cb -0.05 -0.78 0.21 0.00 0.00 0.00 0.00 23.12 22.49 3msp s ALA 71 CO 0.03 -0.64 0.71 0.54 0.00 0.00 0.00 175.76 176.40 3msp s VAL 72 N 2.06 4.78 0.10 0.00 0.11 -1.01 -2.04 120.40 124.41 3msp s VAL 72 Ca 0.04 -3.06 -0.31 0.00 -2.93 0.00 0.00 61.98 55.73 3msp s VAL 72 Cb -0.13 -3.98 -0.07 0.00 -1.53 0.00 0.00 36.38 30.67 3msp s VAL 72 CO -0.05 -1.01 1.23 -0.44 -3.33 0.00 0.00 175.10 171.50 3msp s SER 73 N 1.07 7.04 -0.37 3.54 0.01 -0.55 -3.34 113.70 121.10 3msp s SER 73 Ca 0.21 2.13 0.03 0.00 1.31 0.00 0.00 55.95 59.63 3msp s SER 73 Cb -0.13 -2.59 0.11 0.00 0.21 0.00 0.00 66.02 63.62 3msp s SER 73 CO -0.08 -0.48 0.11 0.00 0.41 0.00 0.00 173.24 173.21 3msp n ASP 75 N 4.15 0.00 -4.76 0.00 5.68 -1.21 -4.09 116.55 116.31 3msp n ASP 75 Ca 0.03 0.81 -0.41 0.00 -0.50 0.00 0.00 54.79 54.72 3msp n ASP 75 Cb 0.40 -1.28 -0.02 0.00 -1.14 0.00 0.00 41.12 39.08 3msp n ASP 75 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3msp s THR 76 N -1.57 2.47 0.14 2.12 -4.23 -1.26 -4.93 115.64 108.38 3msp s THR 76 Ca 0.71 0.44 -0.03 0.00 -1.18 0.00 0.00 61.69 61.63 3msp s THR 76 Cb -0.45 -3.28 0.01 0.00 1.34 0.00 0.00 72.50 70.12 3msp s THR 76 CO 0.52 0.09 0.24 2.22 -0.54 0.00 0.00 174.62 177.15 3msp n PHE 77 N 1.19 -1.16 -3.63 3.99 -1.74 -0.87 -5.00 117.46 110.24 3msp n PHE 77 Ca 0.03 -0.80 -0.40 0.00 -0.56 0.00 0.00 57.45 55.71 3msp n PHE 77 Cb 0.40 0.28 -0.11 0.00 1.52 0.00 0.00 39.48 41.57 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 -1.80 5.65 -0.16 5.98 0.01 -1.26 -4.71 114.94 118.64 3msp s ASN 78 Ca 0.09 -1.09 0.12 0.00 -0.71 0.00 0.00 52.86 51.26 3msp s ASN 78 Cb -0.01 -1.99 0.63 0.00 0.41 0.00 0.00 41.25 40.28 3msp s ASN 78 CO 0.06 -0.39 1.47 0.00 -1.51 0.00 0.00 177.10 176.72 3msp n ALA 79 N 4.95 3.46 0.07 0.60 0.00 -1.26 -4.10 120.51 124.22 3msp n ALA 79 Ca -0.12 -1.44 0.03 0.00 0.00 0.00 0.00 53.44 51.92 3msp n ALA 79 Cb 0.45 -1.08 -0.05 0.00 0.00 0.00 0.00 19.45 18.77 3msp n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3msp h ALA 80 N 3.62 0.63 -1.23 0.00 0.00 -2.04 -3.39 119.26 116.84 3msp h ALA 80 Ca 0.00 -0.58 -0.39 0.00 0.00 0.00 0.00 54.91 53.94 3msp h ALA 80 Cb 1.56 0.17 -0.40 0.00 0.00 0.00 0.00 17.79 19.11 3msp h ALA 80 CO 0.34 0.64 -1.18 0.25 0.00 0.00 0.00 179.25 179.30 3msp n THR 81 N -2.88 0.82 -4.22 0.00 -2.24 -1.26 -5.10 114.28 99.40 3msp n THR 81 Ca -0.06 -3.45 -0.16 0.00 -2.27 0.00 0.00 64.05 58.11 3msp n THR 81 Cb 0.75 0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 69.30 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 -3.00 1.61 -0.36 -0.78 0.41 -1.26 -5.11 118.70 110.22 3msp s GLU 82 Ca 0.31 -1.84 -0.11 0.00 -0.41 0.00 0.00 54.97 52.91 3msp s GLU 82 Cb 0.43 0.33 0.01 0.00 -1.78 0.00 0.00 34.13 33.13 3msp s GLU 82 CO 0.01 -0.60 0.20 -0.51 -0.49 0.00 0.00 175.26 173.87 3msp s ASP 83 N -3.28 5.74 -0.43 -0.19 1.11 -1.26 -4.97 116.67 113.38 3msp s ASP 83 Ca 0.38 -0.80 0.10 0.00 0.18 0.00 0.00 52.55 52.41 3msp s ASP 83 Cb 0.03 -2.04 0.34 0.00 1.07 0.00 0.00 42.92 42.33 3msp s ASP 83 CO 0.21 -0.32 0.79 0.18 1.18 0.00 0.00 175.17 177.21 3msp n LEU 84 N 5.02 1.86 -0.37 1.23 4.77 -1.26 -4.81 117.00 123.44 3msp n LEU 84 Ca -0.12 -5.19 0.00 0.00 -0.03 0.00 0.00 56.01 50.66 3msp n LEU 84 Cb 0.47 0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 3msp n LEU 84 CO 0.36 2.30 0.24 0.59 -1.33 0.00 0.00 177.39 179.56 3msp n ASN 85 N 0.17 0.00 -0.00 -1.43 3.02 -1.26 -4.53 115.26 111.22 3msp n ASN 85 Ca 0.27 -1.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 3msp n ASN 85 Cb 0.58 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 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 0.00 0.00 -4.74 6.41 3.02 -1.26 -5.09 115.26 113.60 3msp n ASN 86 Ca 0.00 -1.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.14 3msp n ASN 86 Cb 0.63 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.76 3msp n ASN 86 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3msp s ASP 87 N -0.00 7.37 -0.28 6.41 1.01 -1.26 -4.88 116.67 125.04 3msp s ASP 87 Ca 0.00 2.06 -0.19 0.00 0.71 0.00 0.00 52.55 55.12 3msp s ASP 87 Cb 0.00 -2.61 0.10 0.00 1.01 0.00 0.00 42.92 41.42 3msp s ASP 87 CO 0.00 -0.11 0.82 0.00 0.21 0.00 0.00 175.17 176.08 3msp s ARG 88 N -0.68 0.63 -0.39 8.23 1.70 -1.26 -1.89 118.95 125.29 3msp s ARG 88 Ca 0.46 0.95 -0.17 0.00 -0.47 0.00 0.00 55.73 56.51 3msp s ARG 88 Cb -0.28 0.20 0.01 0.00 -0.57 0.00 0.00 34.95 34.31 3msp s ARG 88 CO 0.35 -0.11 0.41 0.42 -1.08 0.00 0.00 175.30 175.29 3msp s ILE 89 N 1.06 5.11 -0.23 4.99 1.01 -0.95 -4.06 121.20 128.13 3msp s ILE 89 Ca -0.05 -0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.25 3msp s ILE 89 Cb -0.05 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 3msp s ILE 89 CO -0.12 -0.30 0.43 -0.89 0.00 0.00 0.00 174.94 174.06 3msp s THR 90 N 2.11 5.15 -0.32 2.92 2.01 -0.65 -1.40 115.64 125.46 3msp s THR 90 Ca 0.12 0.74 -0.05 0.00 0.31 0.00 0.00 61.69 62.81 3msp s THR 90 Cb -0.17 -3.76 0.04 0.00 0.01 0.00 0.00 72.50 68.63 3msp s THR 90 CO 0.13 0.18 0.07 -0.63 -0.69 0.00 0.00 174.62 173.67 3msp s ILE 91 N 1.79 3.49 -0.13 1.82 1.09 -0.35 -1.44 121.20 127.46 3msp s ILE 91 Ca 0.19 -1.23 -0.01 0.00 -1.10 0.00 0.00 60.65 58.50 3msp s ILE 91 Cb -0.15 -2.98 -0.02 0.00 -1.06 0.00 0.00 42.46 38.24 3msp s ILE 91 CO 0.09 -0.15 -0.09 -1.83 -0.10 0.00 0.00 174.94 172.85 3msp s GLU 92 N 1.35 3.35 0.00 2.79 -1.05 -0.93 -2.14 118.70 122.08 3msp s GLU 92 Ca -0.03 -0.62 0.01 0.00 -0.15 0.00 0.00 54.97 54.19 3msp s GLU 92 Cb -0.20 -2.70 -0.01 0.00 -0.44 0.00 0.00 34.13 30.78 3msp s GLU 92 CO 0.01 0.30 -0.05 1.67 0.95 0.00 0.00 175.26 178.14 3msp s TRP 93 N 0.15 0.45 0.03 4.83 -2.14 -0.90 -0.94 118.94 120.41 3msp s TRP 93 Ca -0.05 -0.15 0.04 0.00 2.66 0.00 0.00 56.10 58.60 3msp s TRP 93 Cb -0.14 -0.28 -0.02 0.00 -3.10 0.00 0.00 33.47 29.93 3msp s TRP 93 CO 0.04 -0.02 -0.12 -0.08 -2.66 0.00 0.00 176.95 174.11 3msp s THR 94 N -0.34 0.90 0.42 0.66 -1.32 -0.99 -2.44 115.64 112.53 3msp s THR 94 Ca -0.01 -0.82 -0.25 0.00 -1.21 0.00 0.00 61.69 59.41 3msp s THR 94 Cb -0.03 -0.82 -0.10 0.00 -1.51 0.00 0.00 72.50 70.03 3msp s THR 94 CO -0.00 0.01 1.15 0.59 -2.21 0.00 0.00 174.62 174.16 3msp n ASN 95 N 2.14 1.93 -4.78 8.08 4.13 -1.26 -2.20 115.26 123.30 3msp n ASN 95 Ca -0.17 1.08 -0.37 0.00 1.68 0.00 0.00 54.58 56.79 3msp n ASN 95 Cb 0.55 -1.43 -0.06 0.00 -1.54 0.00 0.00 39.78 37.30 3msp n ASN 95 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3msp s THR 96 N -1.23 4.21 0.78 3.41 -4.23 -1.21 -4.85 115.64 112.53 3msp s THR 96 Ca 0.62 1.82 -0.11 0.00 -1.18 0.00 0.00 61.69 62.84 3msp s THR 96 Cb -0.54 -4.02 0.07 0.00 1.34 0.00 0.00 72.50 69.35 3msp s THR 96 CO 0.57 0.16 1.11 -2.16 -0.54 0.00 0.00 174.62 173.77 3msp s PRO 97 N -2.00 2.08 -0.06 3.99 0.04 -1.26 -4.87 135.00 132.91 3msp s PRO 97 Ca 0.49 1.29 -0.37 0.00 0.04 0.00 0.00 61.00 62.46 3msp s PRO 97 Cb -0.19 -1.87 -0.14 0.00 0.04 0.00 0.00 34.50 32.34 3msp s PRO 97 CO 0.24 -1.80 1.67 -0.40 0.04 0.00 0.00 177.00 176.75 3msp n ASP 98 N -3.50 2.67 -2.92 6.66 5.75 -1.26 -0.74 116.55 123.21 3msp n ASP 98 Ca 0.10 1.06 -0.21 0.00 -0.01 0.00 0.00 54.79 55.72 3msp n ASP 98 Cb 0.53 -1.27 0.04 0.00 -1.03 0.00 0.00 41.12 39.39 3msp n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3msp n GLY 99 N 3.75 -0.44 3.75 6.12 0.00 -1.26 -4.93 105.19 112.18 3msp n GLY 99 Ca 0.22 0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.17 3.61 1.04 4.61 0.00 0.08 -4.97 121.76 122.96 3msp s ALA 100 Ca 0.33 1.34 -0.14 0.00 0.00 0.00 0.00 51.96 53.48 3msp s ALA 100 Cb -0.14 -3.55 0.11 0.00 0.00 0.00 0.00 23.12 19.53 3msp s ALA 100 CO 0.41 -0.75 0.43 0.00 0.00 0.00 0.00 175.76 175.84 3msp n ALA 101 N 2.03 -2.99 -2.40 0.00 0.00 -1.26 -4.86 120.51 111.04 3msp n ALA 101 Ca 0.06 -0.91 -0.43 0.00 0.00 0.00 0.00 53.44 52.16 3msp n ALA 101 Cb 0.40 -1.77 0.01 0.00 0.00 0.00 0.00 19.45 18.09 3msp n ALA 101 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3msp n LYS 102 N -2.53 3.70 0.00 0.00 0.00 -1.26 -4.84 118.16 113.23 3msp n LYS 102 Ca 0.05 -3.62 0.00 0.00 -0.00 0.00 0.00 58.31 54.73 3msp n LYS 102 Cb 0.56 -2.89 0.00 0.00 -0.00 0.00 0.00 35.03 32.71 3msp n LYS 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3msp n GLN 103 N 3.64 0.00 -1.60 -1.58 1.13 -1.26 -5.14 117.38 112.57 3msp n GLN 103 Ca 0.38 0.00 -0.45 0.00 -1.94 0.00 0.00 57.00 55.00 3msp n GLN 103 Cb 0.36 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.69 3msp n GLN 103 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3msp n PHE 104 N -0.07 1.39 -4.24 1.08 7.35 -1.26 -4.99 117.46 116.71 3msp n PHE 104 Ca 0.00 0.68 -0.19 0.00 -0.76 0.00 0.00 57.45 57.18 3msp n PHE 104 Cb 0.00 -2.27 -0.12 0.00 0.35 0.00 0.00 39.48 37.43 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 -1.42 0.89 0.10 -4.13 1.81 -1.26 -5.04 118.95 109.89 3msp s ARG 105 Ca 0.60 -0.91 0.01 0.00 -1.72 0.00 0.00 55.73 53.71 3msp s ARG 105 Cb -0.70 -0.92 -0.25 0.00 -0.45 0.00 0.00 34.95 32.63 3msp s ARG 105 CO 0.59 0.21 1.21 -0.09 -0.68 0.00 0.00 175.30 176.54 3msp h ARG 106 N 4.49 0.14 0.00 3.54 2.43 -2.03 -3.20 114.38 119.75 3msp h ARG 106 Ca -0.40 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.52 3msp h ARG 106 Cb 1.19 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 3msp h ARG 106 CO 0.41 1.12 0.00 0.39 -1.51 0.00 0.00 179.97 180.38 3msp n GLU 107 N -3.45 0.04 0.27 0.20 1.02 -1.26 -3.21 120.64 114.26 3msp n GLU 107 Ca -0.04 0.10 0.19 0.00 -0.02 0.00 0.00 57.16 57.39 3msp n GLU 107 Cb 0.98 -1.50 0.94 0.00 -0.02 0.00 0.00 31.44 31.84 3msp n GLU 107 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 3msp h TRP 108 N 0.00 0.00 -0.71 -0.32 6.55 -1.96 -1.26 115.95 118.24 3msp h TRP 108 Ca 0.00 0.00 -0.34 0.00 0.95 0.00 0.00 58.89 59.50 3msp h TRP 108 Cb 0.37 0.00 -0.20 0.00 -0.86 0.00 0.00 29.16 28.47 3msp h TRP 108 CO 0.00 0.00 0.32 1.19 -1.05 0.00 0.00 178.44 178.90 3msp n PHE 109 N -2.84 2.22 -2.39 0.49 3.01 -1.20 -4.34 117.46 112.42 3msp n PHE 109 Ca -0.02 -1.63 -0.02 0.00 1.01 0.00 0.00 57.45 56.80 3msp n PHE 109 Cb 0.12 -0.73 0.01 0.00 -0.01 0.00 0.00 39.48 38.87 3msp n PHE 109 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3msp n GLN 110 N -0.96 0.45 0.00 -1.08 6.02 -0.48 -5.08 117.38 116.25 3msp n GLN 110 Ca 0.46 -1.72 0.00 0.00 -0.01 0.00 0.00 57.00 55.73 3msp n GLN 110 Cb 1.39 0.02 0.00 0.00 1.02 0.00 0.00 30.24 32.67 3msp n GLN 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3msp n GLY 111 N -0.15 5.20 3.80 1.08 0.00 -1.24 -5.07 105.19 108.81 3msp n GLY 111 Ca -0.10 -1.61 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 3msp n GLY 111 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3msp s ASP 112 N 1.00 7.17 0.00 1.61 2.15 -1.26 -4.94 116.67 122.39 3msp s ASP 112 Ca 0.00 1.42 0.00 0.00 0.43 0.00 0.00 52.55 54.40 3msp s ASP 112 Cb 0.00 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 3msp s ASP 112 CO 0.00 0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.80 3msp n GLY 113 N 1.40 -1.67 3.58 2.66 0.00 -1.26 -4.92 105.19 104.98 3msp n GLY 113 Ca -0.07 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.99 2.18 -0.17 1.61 -1.94 -1.26 -5.08 119.30 113.66 3msp s MET 114 Ca 0.00 -0.99 -0.05 0.00 -1.71 0.00 0.00 55.69 52.94 3msp s MET 114 Cb 0.00 -2.33 -0.03 0.00 2.01 0.00 0.00 34.83 34.48 3msp s MET 114 CO 0.00 0.52 0.01 0.08 -0.01 0.00 0.00 175.02 175.62 3msp s VAL 115 N -1.19 4.33 -0.08 -6.03 1.01 -1.26 -4.50 120.40 112.69 3msp s VAL 115 Ca 0.21 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 61.84 3msp s VAL 115 Cb -0.11 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 3msp s VAL 115 CO 0.13 0.48 0.37 -0.13 0.00 0.00 0.00 175.10 175.95 3msp s ARG 116 N 0.32 4.06 -0.17 2.72 0.52 -1.02 -4.98 118.95 120.41 3msp s ARG 116 Ca -0.00 0.29 0.01 0.00 -0.52 0.00 0.00 55.73 55.50 3msp s ARG 116 Cb -0.13 -3.32 0.03 0.00 0.52 0.00 0.00 34.95 32.04 3msp s ARG 116 CO 0.02 0.46 -0.14 0.50 0.02 0.00 0.00 175.30 176.15 3msp s ARG 117 N -0.28 2.37 0.32 3.54 3.52 -1.26 -2.11 118.95 125.04 3msp s ARG 117 Ca 0.21 -0.68 0.10 0.00 -0.13 0.00 0.00 55.73 55.23 3msp s ARG 117 Cb -0.15 -2.27 -0.05 0.00 -1.56 0.00 0.00 34.95 30.92 3msp s ARG 117 CO 0.09 -0.28 -0.08 0.15 -0.81 0.00 0.00 175.30 174.38 3msp s LYS 118 N 1.42 1.92 -0.00 5.12 -0.14 -0.91 -4.99 119.74 122.16 3msp s LYS 118 Ca 0.03 -1.77 -0.01 0.00 -1.36 0.00 0.00 55.97 52.86 3msp s LYS 118 Cb -0.14 -1.85 -0.00 0.00 -1.68 0.00 0.00 37.83 34.16 3msp s LYS 118 CO -0.10 0.22 0.02 0.54 -0.76 0.00 0.00 175.35 175.26 3msp s ASN 119 N -3.62 0.04 -0.29 2.83 2.20 -1.26 -1.22 114.94 113.62 3msp s ASN 119 Ca 0.32 -0.10 0.02 0.00 -0.94 0.00 0.00 52.86 52.16 3msp s ASN 119 Cb -0.01 0.08 0.08 0.00 -2.00 0.00 0.00 41.25 39.40 3msp s ASN 119 CO 0.17 -0.11 0.01 -0.76 -2.94 0.00 0.00 177.10 173.47 3msp s LEU 120 N -0.46 3.30 0.33 3.54 1.43 -0.50 -4.85 118.68 121.48 3msp s LEU 120 Ca -0.05 -1.62 -0.29 0.00 -1.03 0.00 0.00 54.13 51.15 3msp s LEU 120 Cb -0.03 -1.30 -0.12 0.00 0.03 0.00 0.00 46.19 44.77 3msp s LEU 120 CO -0.00 -0.32 1.39 -2.65 0.23 0.00 0.00 176.35 175.00 3msp n PRO 121 N 4.55 2.30 -3.84 1.29 -0.02 -1.26 -2.24 135.00 135.78 3msp n PRO 121 Ca -0.05 0.81 -0.35 0.00 -2.02 0.00 0.00 63.50 61.89 3msp n PRO 121 Cb 0.43 -2.46 -0.13 0.00 -0.02 0.00 0.00 33.50 31.32 3msp n PRO 121 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3msp s ILE 122 N -0.83 3.14 -0.30 4.25 -1.09 -0.79 -2.49 121.20 123.09 3msp s ILE 122 Ca 0.58 -1.72 -0.14 0.00 -2.23 0.00 0.00 60.65 57.13 3msp s ILE 122 Cb -0.55 -2.99 -0.03 0.00 -1.58 0.00 0.00 42.46 37.31 3msp s ILE 122 CO 0.59 -0.40 0.34 -1.61 -1.23 0.00 0.00 174.94 172.63 3msp s GLU 123 N 1.19 3.81 -0.74 2.79 2.02 -0.84 -4.58 118.70 122.35 3msp s GLU 123 Ca 0.02 -0.22 -0.26 0.00 0.02 0.00 0.00 54.97 54.53 3msp s GLU 123 Cb -0.21 -3.72 0.04 0.00 0.10 0.00 0.00 34.13 30.34 3msp s GLU 123 CO -0.03 -0.37 1.22 0.71 0.02 0.00 0.00 175.26 176.81 3msp s TYR 124 N 2.00 2.38 -1.13 1.61 1.51 -1.26 -0.74 117.35 121.72 3msp s TYR 124 Ca 0.12 -0.21 -0.22 0.00 -1.01 0.00 0.00 57.07 55.75 3msp s TYR 124 Cb -0.16 -4.56 -0.02 0.00 -0.11 0.00 0.00 41.96 37.11 3msp s TYR 124 CO 0.11 -1.98 1.82 -0.80 -1.11 0.00 0.00 175.55 173.59 3msp s ASN 125 N 3.79 5.72 0.00 2.29 -0.87 -0.42 -4.94 114.94 120.50 3msp s ASN 125 Ca 0.33 -1.62 0.11 0.00 -1.57 0.00 0.00 52.86 50.11 3msp s ASN 125 Cb -0.09 -2.58 0.67 0.00 -0.02 0.00 0.00 41.25 39.23 3msp s ASN 125 CO 0.12 -2.31 1.11 0.18 -2.57 0.00 0.00 177.10 173.64