#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3msp s GLN 2 N 0.00 0.74 0.64 0.00 -0.21 -1.26 -5.17 119.66 114.40 3msp s GLN 2 Ca 0.00 -0.70 -0.04 0.00 0.02 0.00 0.00 55.36 54.63 3msp s GLN 2 Cb 0.00 0.31 0.04 0.00 1.00 0.00 0.00 33.01 34.36 3msp s GLN 2 CO 0.00 -0.22 0.93 0.45 -2.12 0.00 0.00 175.29 174.32 3msp s SER 3 N -2.28 5.10 0.34 5.90 0.15 -1.26 -5.09 113.70 116.56 3msp s SER 3 Ca -0.02 0.39 -0.03 0.00 0.70 0.00 0.00 55.95 56.99 3msp s SER 3 Cb 0.00 -1.18 -0.04 0.00 -1.71 0.00 0.00 66.02 63.09 3msp s SER 3 CO -0.06 -1.36 0.58 0.68 1.20 0.00 0.00 173.24 174.28 3msp s VAL 4 N -3.06 5.05 0.56 4.45 -7.23 -1.26 -5.01 120.40 113.89 3msp s VAL 4 Ca 0.58 -0.16 -0.21 0.00 -1.81 0.00 0.00 61.98 60.38 3msp s VAL 4 Cb -0.11 -3.81 -0.04 0.00 0.56 0.00 0.00 36.38 32.98 3msp s VAL 4 CO 0.43 -0.49 1.34 -2.16 -0.31 0.00 0.00 175.10 173.91 3msp s PRO 5 N -4.04 3.09 0.38 4.82 0.04 -1.26 -4.85 135.00 133.18 3msp s PRO 5 Ca 0.43 2.20 -0.26 0.00 0.04 0.00 0.00 61.00 63.40 3msp s PRO 5 Cb -0.10 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 3msp s PRO 5 CO 0.35 -1.22 1.19 -1.25 0.04 0.00 0.00 177.00 176.10 3msp s PRO 6 N -2.96 4.16 0.01 0.56 0.04 -1.26 -4.97 135.00 130.58 3msp s PRO 6 Ca 0.73 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 63.37 3msp s PRO 6 Cb -0.40 -2.79 -0.06 0.00 0.04 0.00 0.00 34.50 31.30 3msp s PRO 6 CO 0.46 -0.25 1.37 0.20 0.04 0.00 0.00 177.00 178.82 3msp s GLY 7 N -0.99 1.93 -0.10 0.56 0.00 -1.26 -4.93 107.32 102.53 3msp s GLY 7 Ca 0.54 0.89 -0.36 0.00 0.00 0.00 0.00 44.72 45.79 3msp s GLY 7 CO 0.41 2.43 1.77 1.22 0.00 0.00 0.00 173.10 178.94 3msp n ASP 8 N 5.08 3.00 -4.71 1.64 8.00 -1.26 -4.53 116.55 123.76 3msp n ASP 8 Ca 0.12 1.02 -0.37 0.00 0.71 0.00 0.00 54.79 56.28 3msp n ASP 8 Cb 0.44 -1.30 -0.07 0.00 -0.02 0.00 0.00 41.12 40.17 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 3.33 5.25 0.48 0.53 -4.36 -1.26 -2.23 121.20 122.95 3msp s ILE 9 Ca 0.92 0.70 -0.22 0.00 -0.26 0.00 0.00 60.65 61.79 3msp s ILE 9 Cb -0.81 -3.71 -0.07 0.00 1.25 0.00 0.00 42.46 39.12 3msp s ILE 9 CO 0.54 0.34 1.20 0.20 0.24 0.00 0.00 174.94 177.45 3msp s ASN 10 N 0.65 5.97 -0.01 4.36 0.01 0.35 -4.83 114.94 121.45 3msp s ASN 10 Ca 0.20 2.38 -0.00 0.00 -0.71 0.00 0.00 52.86 54.73 3msp s ASN 10 Cb -0.14 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.92 3msp s ASN 10 CO 0.07 -1.06 0.01 0.42 -1.51 0.00 0.00 177.10 175.03 3msp s THR 11 N -1.51 -0.01 -0.16 1.60 -4.23 -1.26 -2.10 115.64 107.97 3msp s THR 11 Ca 0.66 0.03 -0.03 0.00 -1.18 0.00 0.00 61.69 61.16 3msp s THR 11 Cb -0.31 -0.03 0.05 0.00 1.34 0.00 0.00 72.50 73.56 3msp s THR 11 CO 0.37 0.01 0.04 -1.10 -0.54 0.00 0.00 174.62 173.40 3msp s GLN 12 N 0.15 0.49 0.73 3.99 -0.21 -0.85 -1.71 119.66 122.24 3msp s GLN 12 Ca -0.01 -0.23 -0.15 0.00 0.02 0.00 0.00 55.36 54.99 3msp s GLN 12 Cb -0.02 -1.80 0.04 0.00 1.00 0.00 0.00 33.01 32.23 3msp s GLN 12 CO -0.00 -0.58 1.19 -2.14 -2.12 0.00 0.00 175.29 171.64 3msp s PRO 13 N 1.95 2.14 0.20 2.91 0.02 -1.26 -2.49 135.00 138.47 3msp s PRO 13 Ca 0.01 1.71 -0.07 0.00 0.02 0.00 0.00 61.00 62.67 3msp s PRO 13 Cb -0.16 -1.84 0.14 0.00 0.02 0.00 0.00 34.50 32.66 3msp s PRO 13 CO -0.08 -1.82 1.66 0.77 -0.33 0.00 0.00 177.00 177.20 3msp h SER 14 N -0.35 0.95 0.00 2.53 0.02 -1.74 -3.42 113.55 111.54 3msp h SER 14 Ca -0.47 -0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 60.11 3msp h SER 14 Cb 1.29 -0.26 -0.09 0.00 0.14 0.00 0.00 62.40 63.48 3msp h SER 14 CO 0.50 1.04 0.15 0.00 -1.14 0.00 0.00 176.83 177.37 3msp n GLN 15 N -4.17 0.24 -3.38 3.45 10.64 -1.26 -4.85 117.38 118.04 3msp n GLN 15 Ca 0.02 -0.72 0.02 0.00 -1.83 0.00 0.00 57.00 54.49 3msp n GLN 15 Cb 0.36 -0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.71 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 0.04 0.31 0.01 2.61 2.20 -1.26 -4.31 119.74 119.35 3msp s LYS 16 Ca 0.04 0.76 -0.00 0.00 -0.36 0.00 0.00 55.97 56.41 3msp s LYS 16 Cb 0.08 0.45 -0.01 0.00 -1.51 0.00 0.00 37.83 36.84 3msp s LYS 16 CO -0.02 -0.14 -0.01 -1.50 -0.36 0.00 0.00 175.35 173.32 3msp s ILE 17 N 2.55 0.09 -0.29 5.43 2.07 -1.00 -4.65 121.20 125.38 3msp s ILE 17 Ca -0.02 -0.71 -0.04 0.00 -1.41 0.00 0.00 60.65 58.47 3msp s ILE 17 Cb -0.07 -0.22 0.10 0.00 0.13 0.00 0.00 42.46 42.40 3msp s ILE 17 CO -0.17 -0.39 0.13 0.54 -1.91 0.00 0.00 174.94 173.14 3msp s VAL 18 N -1.16 0.00 -0.41 4.00 0.11 -1.26 -0.70 120.40 120.99 3msp s VAL 18 Ca -0.13 -0.83 -0.34 0.00 -2.93 0.00 0.00 61.98 57.76 3msp s VAL 18 Cb -0.08 -1.03 -0.11 0.00 -1.53 0.00 0.00 36.38 33.63 3msp s VAL 18 CO -0.01 -0.73 2.25 0.49 -3.33 0.00 0.00 175.10 173.77 3msp n PHE 19 N 5.19 1.52 -2.53 1.54 3.72 0.37 -4.70 117.46 122.57 3msp n PHE 19 Ca -0.05 0.25 -0.41 0.00 -0.05 0.00 0.00 57.45 57.19 3msp n PHE 19 Cb 0.42 -2.54 -0.04 0.00 -0.94 0.00 0.00 39.48 36.38 3msp n PHE 19 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3msp s ASN 20 N 8.02 7.31 1.12 4.37 2.47 -1.26 -2.43 114.94 134.54 3msp s ASN 20 Ca 1.10 2.11 -0.12 0.00 0.42 0.00 0.00 52.86 56.37 3msp s ASN 20 Cb -0.79 -2.61 0.26 0.00 -1.45 0.00 0.00 41.25 36.66 3msp s ASN 20 CO 0.46 -0.16 1.03 0.00 -3.72 0.00 0.00 177.10 174.71 3msp n ALA 21 N 2.02 -2.50 -2.19 1.71 0.00 -0.87 -4.77 120.51 113.92 3msp n ALA 21 Ca 0.01 -1.06 -0.27 0.00 0.00 0.00 0.00 53.44 52.12 3msp n ALA 21 Cb 0.46 -2.04 0.01 0.00 0.00 0.00 0.00 19.45 17.88 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 -4.44 3.34 -0.39 0.00 0.04 -1.26 -5.07 135.00 127.21 3msp s PRO 22 Ca 0.68 0.15 0.04 0.00 0.04 0.00 0.00 61.00 61.91 3msp s PRO 22 Cb -0.25 -2.33 0.61 0.00 0.04 0.00 0.00 34.50 32.57 3msp s PRO 22 CO 0.64 -0.38 1.82 0.66 0.04 0.00 0.00 177.00 179.77 3msp n TYR 23 N -2.39 2.72 0.02 0.56 4.01 -1.26 -4.17 117.16 116.65 3msp n TYR 23 Ca 0.02 -1.66 0.08 0.00 -0.16 0.00 0.00 57.90 56.18 3msp n TYR 23 Cb 0.56 -0.86 0.17 0.00 -0.31 0.00 0.00 39.34 38.90 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 -0.91 3.00 -3.78 7.72 8.00 -1.26 -1.87 116.55 127.45 3msp n ASP 24 Ca 0.52 -1.90 -0.13 0.00 0.71 0.00 0.00 54.79 54.00 3msp n ASP 24 Cb 1.54 -0.23 -0.09 0.00 -0.02 0.00 0.00 41.12 42.32 3msp n ASP 24 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3msp s ASP 25 N -1.09 -0.19 -0.09 -2.24 -1.08 -1.26 -4.90 116.67 105.83 3msp s ASP 25 Ca 0.28 0.16 -0.32 0.00 -0.52 0.00 0.00 52.55 52.15 3msp s ASP 25 Cb 0.16 0.37 -0.10 0.00 -1.46 0.00 0.00 42.92 41.88 3msp s ASP 25 CO 0.21 -0.36 1.98 0.29 0.52 0.00 0.00 175.17 177.81 3msp n LYS 26 N 1.65 2.29 -3.91 4.34 5.02 -1.26 -4.56 118.16 121.74 3msp n LYS 26 Ca -0.20 0.81 -0.35 0.00 -2.02 0.00 0.00 58.31 56.55 3msp n LYS 26 Cb 0.56 -2.83 -0.14 0.00 -0.02 0.00 0.00 35.03 32.61 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 5.02 3.18 -0.34 2.13 3.76 -1.16 -4.93 115.29 122.96 3msp s HIS 27 Ca 0.94 -1.68 -0.11 0.00 -0.15 0.00 0.00 55.06 54.06 3msp s HIS 27 Cb -0.57 -2.11 -0.00 0.00 1.11 0.00 0.00 32.58 31.01 3msp s HIS 27 CO 0.46 -0.76 0.20 0.99 -0.85 0.00 0.00 174.74 174.78 3msp s THR 28 N 1.30 4.86 -0.25 1.30 2.01 -1.26 -1.77 115.64 121.83 3msp s THR 28 Ca -0.03 -0.45 -0.14 0.00 0.31 0.00 0.00 61.69 61.38 3msp s THR 28 Cb -0.18 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 3msp s THR 28 CO -0.02 -0.04 0.35 -0.31 -0.69 0.00 0.00 174.62 173.91 3msp s TYR 29 N 1.64 3.29 0.05 4.92 1.51 -1.16 -4.84 117.35 122.75 3msp s TYR 29 Ca 0.05 0.43 -0.29 0.00 -1.01 0.00 0.00 57.07 56.25 3msp s TYR 29 Cb -0.18 -2.51 -0.05 0.00 -0.11 0.00 0.00 41.96 39.11 3msp s TYR 29 CO 0.08 -0.13 0.92 -1.01 -1.11 0.00 0.00 175.55 174.30 3msp s HIS 30 N 1.72 3.73 0.15 2.71 3.76 -1.26 -1.99 115.29 124.11 3msp s HIS 30 Ca 0.15 1.68 0.09 0.00 -0.15 0.00 0.00 55.06 56.82 3msp s HIS 30 Cb -0.15 -3.03 -0.04 0.00 1.11 0.00 0.00 32.58 30.47 3msp s HIS 30 CO 0.09 0.12 -0.12 0.42 -0.85 0.00 0.00 174.74 174.40 3msp s ILE 31 N 0.44 3.13 -0.15 0.60 -1.09 -0.84 -4.89 121.20 118.38 3msp s ILE 31 Ca 0.47 -1.55 -0.01 0.00 -2.23 0.00 0.00 60.65 57.33 3msp s ILE 31 Cb -0.22 -2.51 -0.01 0.00 -1.58 0.00 0.00 42.46 38.14 3msp s ILE 31 CO 0.27 -0.02 -0.10 -0.75 -1.23 0.00 0.00 174.94 173.11 3msp s LYS 32 N -2.54 3.41 -0.05 2.79 2.47 -1.04 -2.19 119.74 122.58 3msp s LYS 32 Ca 0.22 -0.66 0.02 0.00 -1.56 0.00 0.00 55.97 53.99 3msp s LYS 32 Cb -0.10 -2.74 0.02 0.00 -1.46 0.00 0.00 37.83 33.55 3msp s LYS 32 CO 0.14 0.12 -0.08 0.42 0.16 0.00 0.00 175.35 176.11 3msp s ILE 33 N 0.60 0.84 0.05 5.43 1.01 -1.02 -2.02 121.20 126.09 3msp s ILE 33 Ca -0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 3msp s ILE 33 Cb -0.15 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 3msp s ILE 33 CO 0.03 0.29 0.04 -0.89 0.00 0.00 0.00 174.94 174.41 3msp s THR 34 N 0.74 0.16 -0.36 2.92 2.01 -0.89 -0.45 115.64 119.77 3msp s THR 34 Ca -0.13 -1.34 -0.13 0.00 0.31 0.00 0.00 61.69 60.40 3msp s THR 34 Cb -0.15 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 3msp s THR 34 CO 0.02 -0.74 0.26 0.21 -0.69 0.00 0.00 174.62 173.68 3msp s ASN 35 N -2.40 6.07 -0.15 3.53 3.84 -0.97 -0.49 114.94 124.36 3msp s ASN 35 Ca -0.01 -0.57 0.08 0.00 0.21 0.00 0.00 52.86 52.58 3msp s ASN 35 Cb 0.02 -2.14 0.51 0.00 -0.55 0.00 0.00 41.25 39.08 3msp s ASN 35 CO -0.07 -0.30 1.28 0.00 -2.79 0.00 0.00 177.10 175.22 3msp n ALA 36 N 5.12 3.39 -2.38 1.71 0.00 -0.94 -1.09 120.51 126.31 3msp n ALA 36 Ca -0.12 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.12 3msp n ALA 36 Cb 0.49 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3msp n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3msp n GLY 37 N 0.36 3.17 1.19 0.00 0.00 -1.26 -4.72 105.19 103.93 3msp n GLY 37 Ca 0.18 -1.70 -0.02 0.00 0.00 0.00 0.00 46.02 44.47 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 0.72 3.42 -0.02 0.00 -1.26 -4.36 105.19 108.69 3msp n GLY 38 Ca 0.00 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 3msp n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3msp s ARG 39 N 0.00 0.87 0.92 1.61 0.52 -1.26 -4.86 118.95 116.74 3msp s ARG 39 Ca 0.14 0.20 -0.12 0.00 -0.52 0.00 0.00 55.73 55.43 3msp s ARG 39 Cb 0.16 0.40 0.06 0.00 0.52 0.00 0.00 34.95 36.10 3msp s ARG 39 CO -0.07 -0.24 0.65 -2.13 0.02 0.00 0.00 175.30 173.53 3msp n ARG 40 N 1.33 -0.26 -3.84 3.54 0.63 -1.26 -4.47 116.66 112.33 3msp n ARG 40 Ca -0.19 -0.02 -0.09 0.00 -0.92 0.00 0.00 57.85 56.63 3msp n ARG 40 Cb 0.56 -2.02 -0.04 0.00 0.45 0.00 0.00 32.46 31.41 3msp n ARG 40 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 3msp s ILE 41 N -2.40 0.02 -0.25 5.15 -4.36 -0.73 -3.32 121.20 115.32 3msp s ILE 41 Ca 0.61 -1.02 0.01 0.00 -0.26 0.00 0.00 60.65 60.00 3msp s ILE 41 Cb -0.23 -1.79 0.06 0.00 1.25 0.00 0.00 42.46 41.75 3msp s ILE 41 CO 0.63 -0.10 -0.06 -0.83 0.24 0.00 0.00 174.94 174.82 3msp s GLY 42 N -2.92 1.41 0.28 6.27 0.00 -0.85 -1.59 107.32 109.91 3msp s GLY 42 Ca 0.13 -1.52 0.07 0.00 0.00 0.00 0.00 44.72 43.40 3msp s GLY 42 CO 0.01 0.87 0.28 0.66 0.00 0.00 0.00 173.10 174.92 3msp s TRP 43 N 1.30 3.13 -0.01 1.90 1.48 -0.75 -2.32 118.94 123.67 3msp s TRP 43 Ca -0.05 -0.15 -0.25 0.00 -1.06 0.00 0.00 56.10 54.59 3msp s TRP 43 Cb -0.19 -1.58 0.05 0.00 -1.16 0.00 0.00 33.47 30.59 3msp s TRP 43 CO -0.06 0.38 0.54 0.00 -4.06 0.00 0.00 176.95 173.74 3msp s ALA 44 N -2.15 -1.40 -0.01 2.67 0.00 -0.37 -2.16 121.76 118.33 3msp s ALA 44 Ca 0.36 0.87 0.07 0.00 0.00 0.00 0.00 51.96 53.26 3msp s ALA 44 Cb -0.08 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 3msp s ALA 44 CO 0.27 -0.38 -0.23 0.42 0.00 0.00 0.00 175.76 175.84 3msp s ILE 45 N -1.57 1.84 -0.05 0.00 -1.09 -0.55 -2.30 121.20 117.48 3msp s ILE 45 Ca -0.10 -1.02 -0.02 0.00 -2.23 0.00 0.00 60.65 57.28 3msp s ILE 45 Cb -0.02 -1.53 0.03 0.00 -1.58 0.00 0.00 42.46 39.37 3msp s ILE 45 CO 0.05 0.50 0.10 -1.59 -1.23 0.00 0.00 174.94 172.77 3msp s LYS 46 N -0.60 0.05 0.19 2.79 -2.85 -0.92 -4.92 119.74 113.47 3msp s LYS 46 Ca 0.09 0.28 0.09 0.00 -1.00 0.00 0.00 55.97 55.42 3msp s LYS 46 Cb -0.09 -0.18 -0.04 0.00 -2.06 0.00 0.00 37.83 35.46 3msp s LYS 46 CO -0.01 -0.15 -0.08 0.95 0.10 0.00 0.00 175.35 176.16 3msp s THR 47 N 1.00 3.25 0.34 3.79 -4.23 -1.26 -1.07 115.64 117.45 3msp s THR 47 Ca -0.08 -1.66 0.03 0.00 -1.18 0.00 0.00 61.69 58.81 3msp s THR 47 Cb -0.11 -2.62 0.28 0.00 1.34 0.00 0.00 72.50 71.40 3msp s THR 47 CO -0.04 -0.13 1.95 0.71 -0.54 0.00 0.00 174.62 176.57 3msp h THR 48 N 2.67 1.07 -3.55 3.99 1.35 -1.93 -3.38 112.91 113.13 3msp h THR 48 Ca -0.47 -0.30 -0.61 0.00 -0.55 0.00 0.00 66.41 64.48 3msp h THR 48 Cb 1.21 0.12 -0.38 0.00 -1.73 0.00 0.00 68.15 67.37 3msp h THR 48 CO 0.55 0.16 -0.80 0.20 -0.25 0.00 0.00 175.52 175.38 3msp s ASN 49 N -6.20 3.66 -0.31 5.36 -0.87 -1.26 -4.98 114.94 110.34 3msp s ASN 49 Ca -0.10 -1.05 0.11 0.00 -1.57 0.00 0.00 52.86 50.25 3msp s ASN 49 Cb 0.19 -1.21 0.76 0.00 -0.02 0.00 0.00 41.25 40.97 3msp s ASN 49 CO 0.78 -0.19 1.80 0.23 -2.57 0.00 0.00 177.10 177.14 3msp n MET 50 N 4.67 3.95 -0.11 -0.60 2.81 -1.26 -3.50 117.12 123.08 3msp n MET 50 Ca -0.13 -3.11 -0.16 0.00 -1.81 0.00 0.00 57.70 52.48 3msp n MET 50 Cb 0.45 -2.23 -0.13 0.00 -0.71 0.00 0.00 33.22 30.60 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 -0.02 0.67 -0.06 0.03 1.74 -1.26 -4.67 116.66 113.09 3msp n ARG 51 Ca 0.38 0.12 -0.07 0.00 -0.77 0.00 0.00 57.85 57.52 3msp n ARG 51 Cb 1.35 -1.54 -0.09 0.00 -1.02 0.00 0.00 32.46 31.16 3msp n ARG 51 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3msp n ARG 52 N -3.15 1.63 -3.71 5.56 3.00 -1.26 -4.99 116.66 113.74 3msp n ARG 52 Ca -0.42 0.02 -0.36 0.00 -0.01 0.00 0.00 57.85 57.08 3msp n ARG 52 Cb 1.03 -1.31 -0.06 0.00 0.00 0.00 0.00 32.46 32.13 3msp n ARG 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3msp s LEU 53 N -5.13 4.41 -0.02 0.55 1.43 -1.23 -2.47 118.68 116.21 3msp s LEU 53 Ca -0.10 0.67 -0.01 0.00 -1.03 0.00 0.00 54.13 53.66 3msp s LEU 53 Cb 0.04 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.80 3msp s LEU 53 CO 0.46 0.32 0.05 -0.44 0.23 0.00 0.00 176.35 176.97 3msp s SER 54 N -1.32 0.02 -0.14 2.29 0.01 -0.92 -4.47 113.70 109.17 3msp s SER 54 Ca 0.23 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.57 3msp s SER 54 Cb -0.14 0.00 -0.01 0.00 0.21 0.00 0.00 66.02 66.08 3msp s SER 54 CO 0.12 -0.10 -0.14 0.68 0.41 0.00 0.00 173.24 174.20 3msp s VAL 55 N 0.83 2.88 -0.10 3.43 -7.23 -1.26 -1.19 120.40 117.77 3msp s VAL 55 Ca -0.07 -0.71 -0.05 0.00 -1.81 0.00 0.00 61.98 59.34 3msp s VAL 55 Cb -0.10 -2.21 0.04 0.00 0.56 0.00 0.00 36.38 34.68 3msp s VAL 55 CO -0.03 0.52 0.22 -0.62 -0.31 0.00 0.00 175.10 174.88 3msp s ASP 56 N 0.56 -0.19 0.16 4.85 -1.08 -0.95 -2.81 116.67 117.21 3msp s ASP 56 Ca -0.09 0.46 -0.30 0.00 -0.52 0.00 0.00 52.55 52.10 3msp s ASP 56 Cb -0.16 0.36 -0.08 0.00 -1.46 0.00 0.00 42.92 41.58 3msp s ASP 56 CO 0.04 -0.17 1.26 -2.16 0.52 0.00 0.00 175.17 174.66 3msp s PRO 57 N 1.29 4.43 0.18 4.34 0.04 -1.26 -1.35 135.00 142.67 3msp s PRO 57 Ca -0.09 1.94 -0.13 0.00 0.04 0.00 0.00 61.00 62.76 3msp s PRO 57 Cb -0.11 -3.24 0.16 0.00 0.04 0.00 0.00 34.50 31.35 3msp s PRO 57 CO -0.08 -0.21 1.75 -1.35 0.04 0.00 0.00 177.00 177.14 3msp h PRO 58 N 5.74 0.32 -3.52 0.56 0.11 -1.90 -3.44 132.00 129.88 3msp h PRO 58 Ca -0.44 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 3msp h PRO 58 Cb 1.21 -0.07 -0.20 0.00 0.11 0.00 0.00 31.00 32.05 3msp h PRO 58 CO 0.78 0.21 -0.48 0.00 -0.21 0.00 0.00 178.00 178.30 3msp n GLY 60 N 1.39 1.73 3.02 0.00 0.00 -0.92 -4.88 105.19 105.53 3msp n GLY 60 Ca -0.23 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.79 1.77 0.50 1.61 1.01 -1.26 -1.81 120.40 119.43 3msp s VAL 61 Ca 0.03 -1.10 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 3msp s VAL 61 Cb -0.01 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 3msp s VAL 61 CO 0.02 0.18 0.79 -0.76 0.00 0.00 0.00 175.10 175.33 3msp s LEU 62 N 1.34 3.56 0.50 3.92 1.43 -0.62 -4.89 118.68 123.92 3msp s LEU 62 Ca -0.02 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 3msp s LEU 62 Cb -0.16 -3.72 -0.01 0.00 0.03 0.00 0.00 46.19 42.32 3msp s LEU 62 CO -0.08 -0.69 0.02 -1.81 0.23 0.00 0.00 176.35 174.02 3msp s ASP 63 N -4.16 3.97 -0.27 2.29 1.11 -1.26 -1.78 116.67 116.58 3msp s ASP 63 Ca 0.49 -1.66 -0.28 0.00 0.18 0.00 0.00 52.55 51.28 3msp s ASP 63 Cb -0.10 0.52 -0.05 0.00 1.07 0.00 0.00 42.92 44.37 3msp s ASP 63 CO 0.44 -0.86 2.17 -2.84 1.18 0.00 0.00 175.17 175.25 3msp s PRO 64 N -3.86 3.05 -1.23 8.23 0.02 -1.26 -1.98 135.00 137.98 3msp s PRO 64 Ca 0.08 1.85 -0.03 0.00 0.02 0.00 0.00 61.00 62.91 3msp s PRO 64 Cb 0.02 -4.37 0.00 0.00 0.02 0.00 0.00 34.50 30.17 3msp s PRO 64 CO 0.04 -2.20 0.40 1.17 -0.33 0.00 0.00 177.00 176.09 3msp n LYS 65 N 8.75 -3.44 -3.67 5.54 4.81 -0.25 -5.00 118.16 124.90 3msp n LYS 65 Ca 0.29 0.71 -0.30 0.00 -0.87 0.00 0.00 58.31 58.14 3msp n LYS 65 Cb 0.46 -5.14 -0.04 0.00 0.02 0.00 0.00 35.03 30.33 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 -5.34 3.59 0.20 1.64 2.02 -0.84 -4.83 118.70 115.15 3msp s GLU 66 Ca 0.20 -0.15 0.06 0.00 0.02 0.00 0.00 54.97 55.10 3msp s GLU 66 Cb -0.09 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.26 3msp s GLU 66 CO 0.25 0.44 0.14 0.15 0.02 0.00 0.00 175.26 176.26 3msp s LYS 67 N -2.85 2.84 -0.04 1.61 1.02 -1.26 -2.29 119.74 118.77 3msp s LYS 67 Ca 0.40 -0.97 -0.13 0.00 0.02 0.00 0.00 55.97 55.29 3msp s LYS 67 Cb -0.12 -2.57 0.02 0.00 -0.52 0.00 0.00 37.83 34.64 3msp s LYS 67 CO 0.26 0.45 0.29 0.08 -0.92 0.00 0.00 175.35 175.51 3msp s VAL 68 N -1.90 0.05 -0.09 3.17 1.01 0.40 -4.97 120.40 118.07 3msp s VAL 68 Ca 0.31 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3msp s VAL 68 Cb -0.09 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 3msp s VAL 68 CO 0.23 -0.21 -0.11 -0.76 0.00 0.00 0.00 175.10 174.26 3msp s LEU 69 N -0.94 2.90 0.20 3.92 1.43 -1.26 -2.42 118.68 122.51 3msp s LEU 69 Ca -0.10 -0.18 0.09 0.00 -1.03 0.00 0.00 54.13 52.90 3msp s LEU 69 Cb -0.05 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3msp s LEU 69 CO 0.03 0.27 -0.17 -0.32 0.23 0.00 0.00 176.35 176.39 3msp s MET 70 N -0.28 1.37 -0.08 1.70 1.75 -0.93 -4.39 119.30 118.44 3msp s MET 70 Ca 0.03 -1.54 -0.00 0.00 -1.25 0.00 0.00 55.69 52.93 3msp s MET 70 Cb -0.13 -1.35 0.02 0.00 2.84 0.00 0.00 34.83 36.22 3msp s MET 70 CO 0.03 0.25 -0.05 0.00 -0.65 0.00 0.00 175.02 174.60 3msp s ALA 71 N -2.45 0.99 -0.80 4.11 0.00 -0.45 -1.99 121.76 121.16 3msp s ALA 71 Ca 0.21 -0.30 -0.04 0.00 0.00 0.00 0.00 51.96 51.82 3msp s ALA 71 Cb -0.04 -0.72 0.20 0.00 0.00 0.00 0.00 23.12 22.56 3msp s ALA 71 CO 0.08 -0.29 0.68 0.08 0.00 0.00 0.00 175.76 176.31 3msp s VAL 72 N 1.52 4.43 0.21 0.00 1.01 -0.84 -2.24 120.40 124.48 3msp s VAL 72 Ca -0.00 -3.30 -0.31 0.00 0.00 0.00 0.00 61.98 58.36 3msp s VAL 72 Cb -0.13 -3.78 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 3msp s VAL 72 CO -0.04 -1.01 1.59 -0.44 0.00 0.00 0.00 175.10 175.20 3msp s SER 73 N 0.60 6.50 -0.53 3.32 0.01 -0.33 -3.01 113.70 120.26 3msp s SER 73 Ca 0.22 2.75 0.04 0.00 1.31 0.00 0.00 55.95 60.27 3msp s SER 73 Cb -0.13 -2.61 0.14 0.00 0.21 0.00 0.00 66.02 63.64 3msp s SER 73 CO -0.08 -0.86 0.30 0.00 0.41 0.00 0.00 173.24 173.01 3msp n ASP 75 N 2.99 -0.68 -4.75 0.00 9.92 -1.03 -2.96 116.55 120.03 3msp n ASP 75 Ca 0.10 0.77 -0.41 0.00 -0.53 0.00 0.00 54.79 54.72 3msp n ASP 75 Cb 0.34 -1.21 -0.02 0.00 -0.64 0.00 0.00 41.12 39.59 3msp n ASP 75 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3msp s THR 76 N -1.66 2.47 0.00 -3.53 -4.23 -1.26 -4.92 115.64 102.51 3msp s THR 76 Ca 0.69 0.41 0.00 0.00 -1.18 0.00 0.00 61.69 61.61 3msp s THR 76 Cb -0.46 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.12 3msp s THR 76 CO 0.54 0.07 0.00 2.22 -0.54 0.00 0.00 174.62 176.91 3msp n PHE 77 N 2.01 -0.12 -4.72 3.99 -1.74 -0.78 -5.01 117.46 111.09 3msp n PHE 77 Ca 0.06 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.69 3msp n PHE 77 Cb 0.40 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.23 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 0.25 2.00 -0.22 5.98 0.01 -1.26 -4.64 114.94 117.06 3msp s ASN 78 Ca 0.00 -0.34 0.13 0.00 -0.71 0.00 0.00 52.86 51.94 3msp s ASN 78 Cb 0.00 -0.83 0.77 0.00 0.41 0.00 0.00 41.25 41.61 3msp s ASN 78 CO 0.00 0.08 1.67 0.00 -1.51 0.00 0.00 177.10 177.34 3msp n ALA 79 N 3.60 3.81 -0.05 0.60 0.00 -1.26 -2.73 120.51 124.47 3msp n ALA 79 Ca -0.21 -1.79 -0.07 0.00 0.00 0.00 0.00 53.44 51.37 3msp n ALA 79 Cb 0.52 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 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 0.59 1.77 -2.19 0.00 0.00 -1.26 -4.79 120.51 114.64 3msp n ALA 80 Ca 0.26 -0.49 0.02 0.00 0.00 0.00 0.00 53.44 53.24 3msp n ALA 80 Cb 1.14 0.21 0.02 0.00 0.00 0.00 0.00 19.45 20.82 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 -2.69 0.14 -3.51 0.00 -2.24 -1.26 -5.09 114.28 99.63 3msp n THR 81 Ca -0.18 -0.66 -0.10 0.00 -2.27 0.00 0.00 64.05 60.84 3msp n THR 81 Cb 0.72 0.68 -0.02 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 -0.21 1.30 0.54 -0.78 2.02 -1.11 -5.03 118.70 115.43 3msp s GLU 82 Ca 0.18 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.64 3msp s GLU 82 Cb 0.20 0.56 0.00 0.00 0.10 0.00 0.00 34.13 35.00 3msp s GLU 82 CO -0.08 -0.57 0.00 -3.47 0.02 0.00 0.00 175.26 171.15 3msp n ASP 83 N -0.38 -8.46 -0.97 -0.19 -0.08 -1.25 -4.10 116.55 101.13 3msp n ASP 83 Ca -0.14 1.20 0.00 0.00 -1.51 0.00 0.00 54.79 54.34 3msp n ASP 83 Cb 0.64 -4.85 0.00 0.00 2.34 0.00 0.00 41.12 39.25 3msp n ASP 83 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3msp n LEU 84 N -4.34 -1.58 -0.67 -2.67 4.77 -1.26 -4.95 117.00 106.30 3msp n LEU 84 Ca -0.06 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.98 3msp n LEU 84 Cb 0.69 -0.40 0.14 0.00 -2.33 0.00 0.00 43.42 41.53 3msp n LEU 84 CO 0.03 0.00 0.33 -0.46 -1.33 0.00 0.00 177.39 175.97 3msp n ASN 85 N -0.97 1.57 -1.32 -1.43 0.23 -1.26 -5.03 115.26 107.05 3msp n ASN 85 Ca 0.00 -3.24 0.00 0.00 -0.53 0.00 0.00 54.58 50.81 3msp n ASN 85 Cb 0.40 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 3msp n ASN 85 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3msp n ASN 86 N -0.78 -1.76 -4.27 0.53 3.02 -1.26 -5.09 115.26 105.65 3msp n ASN 86 Ca 0.14 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.40 3msp n ASN 86 Cb 0.77 -0.88 -0.16 0.00 -0.61 0.00 0.00 39.78 38.90 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 2.79 -0.28 6.41 1.11 -1.26 -4.95 116.67 120.50 3msp s ASP 87 Ca 0.00 -0.44 -0.19 0.00 0.18 0.00 0.00 52.55 52.11 3msp s ASP 87 Cb 0.00 -0.39 0.10 0.00 1.07 0.00 0.00 42.92 43.70 3msp s ASP 87 CO 0.00 0.28 0.80 0.00 1.18 0.00 0.00 175.17 177.43 3msp s ARG 88 N -0.48 0.64 0.66 8.23 1.70 -1.26 -2.46 118.95 125.98 3msp s ARG 88 Ca 0.07 0.99 -0.08 0.00 -0.47 0.00 0.00 55.73 56.24 3msp s ARG 88 Cb -0.10 0.19 0.03 0.00 -0.57 0.00 0.00 34.95 34.49 3msp s ARG 88 CO -0.00 -0.12 1.00 0.42 -1.08 0.00 0.00 175.30 175.53 3msp s ILE 89 N 1.19 3.23 -0.08 4.99 1.01 -1.04 -3.63 121.20 126.87 3msp s ILE 89 Ca -0.07 0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.66 3msp s ILE 89 Cb -0.05 -3.34 0.04 0.00 0.01 0.00 0.00 42.46 39.12 3msp s ILE 89 CO -0.14 -0.40 0.09 -0.89 0.00 0.00 0.00 174.94 173.60 3msp s THR 90 N -3.20 -0.13 -0.42 2.92 2.01 -0.23 -1.86 115.64 114.73 3msp s THR 90 Ca 0.57 0.28 -0.08 0.00 0.31 0.00 0.00 61.69 62.77 3msp s THR 90 Cb -0.11 -0.28 0.09 0.00 0.01 0.00 0.00 72.50 72.21 3msp s THR 90 CO 0.47 0.07 0.25 -0.63 -0.69 0.00 0.00 174.62 174.08 3msp s ILE 91 N 2.19 3.98 -0.04 1.82 1.09 -0.48 -2.16 121.20 127.60 3msp s ILE 91 Ca 0.04 -1.57 0.04 0.00 -1.10 0.00 0.00 60.65 58.07 3msp s ILE 91 Cb -0.13 -3.50 -0.03 0.00 -1.06 0.00 0.00 42.46 37.74 3msp s ILE 91 CO -0.05 -0.55 -0.16 -1.61 -0.10 0.00 0.00 174.94 172.47 3msp s GLU 92 N 1.36 2.43 -0.12 2.79 2.02 -0.97 -0.87 118.70 125.34 3msp s GLU 92 Ca 0.04 -0.74 -0.13 0.00 0.02 0.00 0.00 54.97 54.16 3msp s GLU 92 Cb -0.23 -2.33 0.03 0.00 0.10 0.00 0.00 34.13 31.70 3msp s GLU 92 CO 0.00 0.61 0.35 1.67 0.02 0.00 0.00 175.26 177.92 3msp s TRP 93 N -0.74 -0.36 0.04 1.61 -2.14 -0.90 -1.24 118.94 115.21 3msp s TRP 93 Ca 0.12 0.86 0.04 0.00 2.66 0.00 0.00 56.10 59.78 3msp s TRP 93 Cb -0.11 0.13 -0.02 0.00 -3.10 0.00 0.00 33.47 30.37 3msp s TRP 93 CO 0.01 -0.22 -0.12 -0.08 -2.66 0.00 0.00 176.95 173.88 3msp s THR 94 N -0.03 0.89 0.27 0.66 -1.32 -0.98 -2.18 115.64 112.94 3msp s THR 94 Ca -0.02 -1.02 -0.30 0.00 -1.21 0.00 0.00 61.69 59.14 3msp s THR 94 Cb -0.03 -0.85 -0.14 0.00 -1.51 0.00 0.00 72.50 69.98 3msp s THR 94 CO 0.01 -0.15 1.20 -3.20 -2.21 0.00 0.00 174.62 170.27 3msp n ASN 95 N 1.72 2.04 -4.79 8.08 2.85 -1.26 -2.00 115.26 121.91 3msp n ASN 95 Ca -0.20 1.17 -0.37 0.00 -0.11 0.00 0.00 54.58 55.07 3msp n ASN 95 Cb 0.55 -1.36 -0.06 0.00 1.24 0.00 0.00 39.78 40.14 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 -0.69 4.33 0.95 -0.44 -4.23 -1.21 -4.83 115.64 109.52 3msp s THR 96 Ca 0.62 1.66 -0.12 0.00 -1.18 0.00 0.00 61.69 62.68 3msp s THR 96 Cb -0.68 -4.01 0.10 0.00 1.34 0.00 0.00 72.50 69.25 3msp s THR 96 CO 0.57 0.25 0.73 -2.65 -0.54 0.00 0.00 174.62 172.98 3msp n PRO 97 N 0.85 -0.50 -1.69 3.99 -0.02 -1.26 -4.79 135.00 131.57 3msp n PRO 97 Ca -0.01 -0.10 -0.53 0.00 -2.02 0.00 0.00 63.50 60.84 3msp n PRO 97 Cb 0.50 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.84 3msp n PRO 97 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3msp n ASP 98 N -2.71 2.73 -3.86 2.55 2.03 -1.26 -0.89 116.55 115.13 3msp n ASP 98 Ca 0.09 1.04 -0.28 0.00 0.52 0.00 0.00 54.79 56.16 3msp n ASP 98 Cb 0.53 -1.24 0.03 0.00 -0.72 0.00 0.00 41.12 39.72 3msp n ASP 98 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3msp n GLY 99 N 4.10 -0.44 3.70 0.27 0.00 -1.26 -4.93 105.19 106.63 3msp n GLY 99 Ca 0.24 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.40 1.66 0.81 4.61 0.00 -0.07 -5.00 121.76 120.36 3msp s ALA 100 Ca 0.50 0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.77 3msp s ALA 100 Cb -0.25 -3.37 0.08 0.00 0.00 0.00 0.00 23.12 19.58 3msp s ALA 100 CO 0.83 -2.45 1.09 0.00 0.00 0.00 0.00 175.76 175.22 3msp s ALA 101 N -2.74 2.15 -1.30 0.00 0.00 -1.26 -4.94 121.76 113.66 3msp s ALA 101 Ca 0.65 -0.15 -0.10 0.00 0.00 0.00 0.00 51.96 52.36 3msp s ALA 101 Cb -0.21 -3.13 0.15 0.00 0.00 0.00 0.00 23.12 19.93 3msp s ALA 101 CO 0.58 -1.81 1.92 0.36 0.00 0.00 0.00 175.76 176.80 3msp n LYS 102 N -3.50 3.52 -3.65 0.00 2.85 -1.26 -4.83 118.16 111.29 3msp n LYS 102 Ca 0.07 -3.40 -0.03 0.00 -1.05 0.00 0.00 58.31 53.90 3msp n LYS 102 Cb 0.56 -2.98 -0.07 0.00 -0.65 0.00 0.00 35.03 31.90 3msp n LYS 102 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 3msp s GLN 103 N 0.78 0.22 0.51 -1.58 -1.52 -1.26 -5.05 119.66 111.76 3msp s GLN 103 Ca 0.41 0.32 -0.23 0.00 -1.95 0.00 0.00 55.36 53.91 3msp s GLN 103 Cb 0.10 0.08 -0.06 0.00 -0.22 0.00 0.00 33.01 32.91 3msp s GLN 103 CO -0.01 -0.04 1.35 0.34 -0.25 0.00 0.00 175.29 176.68 3msp n PHE 104 N 2.62 2.31 -4.31 0.91 7.35 -1.26 -5.02 117.46 120.05 3msp n PHE 104 Ca -0.15 0.44 -0.23 0.00 -0.76 0.00 0.00 57.45 56.76 3msp n PHE 104 Cb 0.57 -2.38 -0.12 0.00 0.35 0.00 0.00 39.48 37.90 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 -2.68 1.20 -0.06 -4.13 1.81 -1.26 -5.06 118.95 108.78 3msp s ARG 105 Ca 0.68 -1.28 -0.21 0.00 -1.72 0.00 0.00 55.73 53.19 3msp s ARG 105 Cb -0.44 -1.39 -0.31 0.00 -0.45 0.00 0.00 34.95 32.37 3msp s ARG 105 CO 0.52 0.31 0.85 -0.09 -0.68 0.00 0.00 175.30 176.21 3msp h ARG 106 N 3.70 0.29 0.00 3.54 2.43 -2.04 -3.28 114.38 119.02 3msp h ARG 106 Ca -0.45 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.23 3msp h ARG 106 Cb 1.19 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 3msp h ARG 106 CO 0.45 1.24 0.00 0.39 -1.51 0.00 0.00 179.97 180.53 3msp n GLU 107 N -4.11 0.16 0.11 0.20 1.02 -1.26 -2.94 120.64 113.82 3msp n GLU 107 Ca -0.15 0.43 0.20 0.00 -0.02 0.00 0.00 57.16 57.62 3msp n GLU 107 Cb 0.83 -1.84 0.71 0.00 -0.02 0.00 0.00 31.44 31.12 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 0.00 -0.32 4.06 -1.99 0.24 115.95 117.94 3msp h TRP 108 Ca 0.00 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 60.68 3msp h TRP 108 Cb 0.30 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.41 3msp h TRP 108 CO 0.00 0.00 -2.22 1.19 -3.56 0.00 0.00 178.44 173.85 3msp n PHE 109 N -3.49 0.08 -0.36 0.49 3.72 -1.15 -3.82 117.46 112.93 3msp n PHE 109 Ca 0.07 0.03 -0.03 0.00 -0.05 0.00 0.00 57.45 57.47 3msp n PHE 109 Cb 0.67 -0.89 0.22 0.00 -0.94 0.00 0.00 39.48 38.54 3msp n PHE 109 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3msp n GLN 110 N -2.65 3.01 0.00 -1.08 6.02 0.68 -4.52 117.38 118.84 3msp n GLN 110 Ca -0.24 -2.09 0.00 0.00 -0.01 0.00 0.00 57.00 54.66 3msp n GLN 110 Cb 1.00 -1.94 0.00 0.00 1.02 0.00 0.00 30.24 30.32 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 0.06 -0.12 3.62 1.08 0.00 -0.26 -5.00 105.19 104.56 3msp n GLY 111 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.22 6.27 0.00 1.61 1.11 -1.25 -4.93 116.67 115.26 3msp s ASP 112 Ca 0.00 1.38 0.00 0.00 0.18 0.00 0.00 52.55 54.11 3msp s ASP 112 Cb 0.00 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.46 3msp s ASP 112 CO 0.00 -1.39 0.82 0.61 1.18 0.00 0.00 175.17 176.39 3msp n GLY 113 N 4.90 -3.11 3.32 0.21 0.00 -1.26 -4.43 105.19 104.82 3msp n GLY 113 Ca 0.19 0.45 -0.56 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.02 0.38 -3.75 1.61 2.81 -1.26 -4.91 117.12 109.97 3msp n MET 114 Ca 0.00 0.10 -0.19 0.00 -1.81 0.00 0.00 57.70 55.81 3msp n MET 114 Cb 0.00 -1.84 -0.17 0.00 -0.71 0.00 0.00 33.22 30.50 3msp n MET 114 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3msp s VAL 115 N 6.55 0.01 0.13 2.03 1.01 -1.26 -4.51 120.40 124.35 3msp s VAL 115 Ca 1.17 0.28 -0.20 0.00 0.00 0.00 0.00 61.98 63.22 3msp s VAL 115 Cb -1.27 -0.20 -0.07 0.00 0.00 0.00 0.00 36.38 34.84 3msp s VAL 115 CO 0.60 0.16 0.64 -0.13 0.00 0.00 0.00 175.10 176.36 3msp s ARG 116 N 1.66 4.27 -0.05 2.72 1.81 -0.93 -4.97 118.95 123.46 3msp s ARG 116 Ca -0.01 0.83 0.01 0.00 -1.72 0.00 0.00 55.73 54.84 3msp s ARG 116 Cb -0.13 -3.15 0.02 0.00 -0.45 0.00 0.00 34.95 31.24 3msp s ARG 116 CO -0.03 0.57 -0.07 0.50 -0.68 0.00 0.00 175.30 175.59 3msp s ARG 117 N -1.35 1.13 0.25 3.54 3.52 -1.26 -2.12 118.95 122.66 3msp s ARG 117 Ca 0.34 -0.21 0.07 0.00 -0.13 0.00 0.00 55.73 55.80 3msp s ARG 117 Cb -0.19 -1.05 -0.05 0.00 -1.56 0.00 0.00 34.95 32.09 3msp s ARG 117 CO 0.21 -0.06 -0.09 0.15 -0.81 0.00 0.00 175.30 174.70 3msp s LYS 118 N 0.88 1.45 -0.03 5.12 1.02 -0.05 -4.97 119.74 123.17 3msp s LYS 118 Ca -0.11 -1.70 -0.05 0.00 0.02 0.00 0.00 55.97 54.13 3msp s LYS 118 Cb -0.15 -1.12 0.01 0.00 -0.52 0.00 0.00 37.83 36.05 3msp s LYS 118 CO 0.01 0.09 0.12 -0.80 -0.92 0.00 0.00 175.35 173.86 3msp s ASN 119 N -3.39 -0.08 -0.37 2.83 0.01 -1.26 -1.39 114.94 111.30 3msp s ASN 119 Ca 0.27 0.12 0.01 0.00 -0.71 0.00 0.00 52.86 52.54 3msp s ASN 119 Cb 0.02 0.25 0.11 0.00 0.41 0.00 0.00 41.25 42.04 3msp s ASN 119 CO 0.10 -0.13 0.15 -0.76 -1.51 0.00 0.00 177.10 174.94 3msp s LEU 120 N -0.35 2.92 0.28 0.60 1.02 -0.78 -4.65 118.68 117.73 3msp s LEU 120 Ca -0.04 -2.16 -0.30 0.00 0.02 0.00 0.00 54.13 51.65 3msp s LEU 120 Cb -0.03 -1.09 -0.12 0.00 0.02 0.00 0.00 46.19 44.97 3msp s LEU 120 CO 0.00 -0.35 1.50 -2.65 0.02 0.00 0.00 176.35 174.88 3msp n PRO 121 N 4.18 2.43 -3.75 1.29 -0.02 -1.26 -2.49 135.00 135.38 3msp n PRO 121 Ca 0.03 0.86 -0.34 0.00 -2.02 0.00 0.00 63.50 62.03 3msp n PRO 121 Cb 0.39 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.23 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 -0.16 5.28 0.19 4.25 -1.09 -1.03 -2.39 121.20 126.26 3msp s ILE 122 Ca 0.64 0.18 0.03 0.00 -2.23 0.00 0.00 60.65 59.28 3msp s ILE 122 Cb -0.55 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 36.70 3msp s ILE 122 CO 0.51 0.35 -0.03 -1.61 -1.23 0.00 0.00 174.94 172.93 3msp s GLU 123 N -1.79 1.19 -0.10 2.79 2.02 0.12 -4.83 118.70 118.10 3msp s GLU 123 Ca 0.28 -1.57 0.02 0.00 0.02 0.00 0.00 54.97 53.72 3msp s GLU 123 Cb -0.13 -0.51 0.02 0.00 0.10 0.00 0.00 34.13 33.60 3msp s GLU 123 CO 0.16 -0.06 -0.14 0.71 0.02 0.00 0.00 175.26 175.95 3msp s TYR 124 N -3.47 1.86 -0.80 1.61 1.51 -1.26 -0.48 117.35 116.32 3msp s TYR 124 Ca 0.24 -0.85 0.01 0.00 -1.01 0.00 0.00 57.07 55.45 3msp s TYR 124 Cb 0.05 -1.36 0.19 0.00 -0.11 0.00 0.00 41.96 40.74 3msp s TYR 124 CO 0.05 -0.45 0.64 1.21 -1.11 0.00 0.00 175.55 175.89 3msp s ASN 125 N 0.99 5.45 0.00 2.29 2.47 -1.02 -4.97 114.94 120.15 3msp s ASN 125 Ca -0.07 -3.73 0.02 0.00 0.42 0.00 0.00 52.86 49.50 3msp s ASN 125 Cb -0.15 -1.79 0.09 0.00 -1.45 0.00 0.00 41.25 37.95 3msp s ASN 125 CO -0.01 -0.15 0.58 0.18 -3.72 0.00 0.00 177.10 173.98