#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vig s ASN 7 N 0.00 5.17 -0.30 4.38 3.84 -1.26 -5.04 114.94 121.73 1vig s ASN 7 Ca 0.00 -1.19 -0.10 0.00 0.21 0.00 0.00 52.86 51.78 1vig s ASN 7 Cb 0.00 -1.81 0.14 0.00 -0.55 0.00 0.00 41.25 39.03 1vig s ASN 7 CO 0.00 -0.30 0.72 -0.13 -2.79 0.00 0.00 177.10 174.59 1vig s ARG 8 N 1.35 0.52 0.46 0.43 0.52 -1.26 -5.13 118.95 115.85 1vig s ARG 8 Ca -0.03 1.26 0.00 0.00 -0.52 0.00 0.00 55.73 56.44 1vig s ARG 8 Cb -0.20 0.76 0.00 0.00 0.52 0.00 0.00 34.95 36.03 1vig s ARG 8 CO 0.01 -0.22 0.00 -1.33 0.02 0.00 0.00 175.30 173.79 1vig n MET 9 N 5.36 -3.80 -5.17 3.54 2.81 -1.26 -4.97 117.12 113.63 1vig n MET 9 Ca -0.10 2.86 -0.32 0.00 -1.81 0.00 0.00 57.70 58.33 1vig n MET 9 Cb 0.50 -3.31 -0.17 0.00 -0.71 0.00 0.00 33.22 29.53 1vig n MET 9 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1vig s ASP 10 N -3.72 3.19 0.12 7.83 1.11 -0.98 -5.02 116.67 119.19 1vig s ASP 10 Ca 0.00 -0.53 0.08 0.00 0.18 0.00 0.00 52.55 52.27 1vig s ASP 10 Cb 0.00 -1.43 -0.04 0.00 1.07 0.00 0.00 42.92 42.52 1vig s ASP 10 CO 0.00 0.16 -0.19 -0.72 1.18 0.00 0.00 175.17 175.60 1vig s TYR 11 N 0.34 1.68 0.21 4.23 -0.85 -1.26 -1.07 117.35 120.63 1vig s TYR 11 Ca -0.18 -0.45 -0.06 0.00 -0.52 0.00 0.00 57.07 55.85 1vig s TYR 11 Cb -0.18 -0.90 -0.02 0.00 0.38 0.00 0.00 41.96 41.24 1vig s TYR 11 CO 0.09 0.21 0.28 0.14 -1.52 0.00 0.00 175.55 174.75 1vig s VAL 12 N -1.50 0.01 -0.03 -3.49 -7.23 0.37 -4.96 120.40 103.57 1vig s VAL 12 Ca 0.08 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 58.57 1vig s VAL 12 Cb -0.08 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.55 1vig s VAL 12 CO 0.04 -0.04 -0.08 -1.61 -0.31 0.00 0.00 175.10 173.10 1vig s GLU 13 N -4.08 0.93 -0.07 4.82 2.02 -1.26 -0.63 118.70 120.43 1vig s GLU 13 Ca 0.30 -0.28 0.05 0.00 0.02 0.00 0.00 54.97 55.05 1vig s GLU 13 Cb 0.04 -0.87 -0.01 0.00 0.10 0.00 0.00 34.13 33.38 1vig s GLU 13 CO 0.09 0.10 -0.22 0.96 0.02 0.00 0.00 175.26 176.21 1vig s ILE 14 N 0.23 2.32 0.06 -1.63 -4.36 -0.98 -4.97 121.20 111.87 1vig s ILE 14 Ca -0.04 -0.97 -0.31 0.00 -0.26 0.00 0.00 60.65 59.08 1vig s ILE 14 Cb -0.09 -1.87 -0.06 0.00 1.25 0.00 0.00 42.46 41.69 1vig s ILE 14 CO 0.00 0.57 1.27 0.21 0.24 0.00 0.00 174.94 177.23 1vig s ASN 15 N -0.13 6.98 0.11 4.36 3.04 -1.26 -1.47 114.94 126.56 1vig s ASN 15 Ca -0.04 2.09 0.03 0.00 0.04 0.00 0.00 52.86 54.99 1vig s ASN 15 Cb -0.14 -2.58 -0.04 0.00 -1.54 0.00 0.00 41.25 36.95 1vig s ASN 15 CO 0.04 -0.55 -0.09 -0.63 -3.04 0.00 0.00 177.10 172.83 1vig s ILE 16 N 1.29 0.90 0.31 -5.21 -1.09 -0.62 -4.94 121.20 111.85 1vig s ILE 16 Ca 0.61 -1.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.16 1vig s ILE 16 Cb -0.31 -1.60 0.00 0.00 -1.58 0.00 0.00 42.46 38.96 1vig s ILE 16 CO 0.29 -0.73 0.00 -0.67 -1.23 0.00 0.00 174.94 172.59 1vig n ASP 17 N 0.13 -1.57 -3.44 3.58 -0.08 -1.26 -1.29 116.55 112.61 1vig n ASP 17 Ca -0.13 0.57 -0.15 0.00 -1.51 0.00 0.00 54.79 53.57 1vig n ASP 17 Cb 0.60 1.61 0.15 0.00 2.34 0.00 0.00 41.12 45.81 1vig n ASP 17 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1vig n HIS 18 N -3.33 -2.51 -0.95 -0.67 8.25 -1.26 -4.65 115.22 110.11 1vig n HIS 18 Ca 0.00 -0.10 -0.29 0.00 -0.26 0.00 0.00 57.72 57.07 1vig n HIS 18 Cb 0.00 -1.23 -0.02 0.00 1.12 0.00 0.00 29.99 29.85 1vig n HIS 18 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1vig n LYS 19 N -1.59 2.42 -0.06 -0.41 2.85 -1.26 -4.46 118.16 115.65 1vig n LYS 19 Ca 0.07 -1.71 -0.06 0.00 -1.05 0.00 0.00 58.31 55.56 1vig n LYS 19 Cb 0.30 -2.61 -0.04 0.00 -0.65 0.00 0.00 35.03 32.02 1vig n LYS 19 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 1vig h PHE 20 N 6.16 0.00 -0.15 5.58 -1.00 -1.97 -3.27 116.94 122.29 1vig h PHE 20 Ca 0.58 0.00 0.03 0.00 2.81 0.00 0.00 57.97 61.39 1vig h PHE 20 Cb 0.26 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.75 1vig h PHE 20 CO 1.85 0.35 -0.52 0.45 -1.61 0.00 0.00 178.31 178.83 1vig h HIS 21 N -1.00 -1.54 -0.15 -0.55 3.86 -1.95 0.33 115.15 114.15 1vig h HIS 21 Ca -0.03 0.06 0.04 0.00 -1.16 0.00 0.00 60.37 59.29 1vig h HIS 21 Cb 0.42 0.69 -0.01 0.00 1.06 0.00 0.00 27.41 29.58 1vig h HIS 21 CO 0.03 -0.53 0.47 0.00 0.86 0.00 0.00 177.93 178.75 1vig h ARG 22 N -0.56 0.00 -0.01 2.45 3.08 -1.92 0.95 114.38 118.37 1vig h ARG 22 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1vig h ARG 22 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1vig h ARG 22 CO -0.44 0.00 -0.68 0.72 -1.07 0.00 0.00 179.97 178.50 1vig n HIS 23 N -3.09 0.00 -0.00 3.04 8.25 0.88 -4.53 115.22 119.77 1vig n HIS 23 Ca 0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1vig n HIS 23 Cb 0.55 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.65 1vig n HIS 23 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1vig n LEU 24 N -0.77 0.00 -0.17 2.41 4.77 0.18 -3.65 117.00 119.77 1vig n LEU 24 Ca 0.06 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.20 1vig n LEU 24 Cb 0.36 0.02 0.28 0.00 -2.33 0.00 0.00 43.42 41.75 1vig n LEU 24 CO 0.33 0.02 0.51 2.30 -1.33 0.00 0.00 177.39 179.21 1vig n ILE 25 N -1.84 -0.16 0.00 -0.08 -0.00 0.27 -4.52 119.36 113.04 1vig n ILE 25 Ca -0.01 0.87 0.00 0.00 -0.00 0.00 0.00 62.75 63.61 1vig n ILE 25 Cb 0.33 -1.42 0.00 0.00 -0.00 0.00 0.00 39.64 38.55 1vig n ILE 25 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1vig n GLY 26 N -1.16 3.17 0.42 3.28 0.00 -1.26 -4.95 105.19 104.68 1vig n GLY 26 Ca 0.18 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 1vig n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vig h LYS 27 N 0.00 -0.25 -0.57 1.61 1.57 -1.94 -1.07 116.57 115.92 1vig h LYS 27 Ca 0.00 0.02 -0.34 0.00 -1.87 0.00 0.00 60.65 58.46 1vig h LYS 27 Cb 0.00 0.06 -0.20 0.00 0.08 0.00 0.00 32.23 32.16 1vig h LYS 27 CO 0.00 -0.16 0.01 0.43 -0.57 0.00 0.00 179.45 179.15 1vig n SER 28 N -5.37 3.62 -0.01 0.86 7.64 -1.26 -4.70 113.62 114.39 1vig n SER 28 Ca -0.00 -3.77 -0.01 0.00 1.01 0.00 0.00 58.87 56.10 1vig n SER 28 Cb 0.33 -0.66 -0.00 0.00 -1.01 0.00 0.00 64.21 62.87 1vig n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vig n GLY 29 N -1.04 -0.49 2.31 0.23 0.00 -0.41 -4.57 105.19 101.22 1vig n GLY 29 Ca 0.42 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 46.24 1vig n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vig n ALA 30 N -2.76 -0.50 0.00 4.61 0.00 -1.20 -4.67 120.51 115.97 1vig n ALA 30 Ca -0.02 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1vig n ALA 30 Cb 0.07 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1vig n ALA 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1vig n ASN 31 N -1.36 0.73 -0.31 0.00 3.02 -1.26 -4.61 115.26 111.46 1vig n ASN 31 Ca -0.17 0.00 0.24 0.00 -0.03 0.00 0.00 54.58 54.62 1vig n ASN 31 Cb 0.57 0.00 0.53 0.00 -0.61 0.00 0.00 39.78 40.28 1vig n ASN 31 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 1vig h ILE 32 N 0.00 0.53 0.00 2.41 3.07 -1.83 0.30 117.51 121.99 1vig h ILE 32 Ca 0.00 -0.12 -0.26 0.00 1.55 0.00 0.00 64.86 66.03 1vig h ILE 32 Cb 0.46 0.14 0.02 0.00 -0.27 0.00 0.00 36.82 37.17 1vig h ILE 32 CO 0.00 0.06 -1.04 -1.13 -1.05 0.00 0.00 178.15 175.00 1vig h ASN 33 N 0.35 0.86 -0.90 2.16 -0.00 -1.93 -2.56 115.58 113.56 1vig h ASN 33 Ca 0.58 -0.69 0.14 0.00 -0.00 0.00 0.00 56.30 56.33 1vig h ASN 33 Cb 1.55 -0.26 -0.09 0.00 -0.00 0.00 0.00 38.32 39.52 1vig h ASN 33 CO -0.26 1.49 0.51 0.03 -0.00 0.00 0.00 177.43 179.20 1vig h ARG 34 N 0.37 0.71 0.19 6.67 3.08 -0.68 -1.89 114.38 122.83 1vig h ARG 34 Ca -0.12 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 1vig h ARG 34 Cb 1.69 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.58 1vig h ARG 34 CO 0.20 0.47 -0.09 0.82 -1.07 0.00 0.00 179.97 180.30 1vig h ILE 35 N 0.73 0.74 -1.77 2.04 1.08 -1.40 -0.02 117.51 118.92 1vig h ILE 35 Ca 0.48 -1.05 0.51 0.00 -0.39 0.00 0.00 64.86 64.42 1vig h ILE 35 Cb 0.64 1.24 -0.07 0.00 -3.07 0.00 0.00 36.82 35.56 1vig h ILE 35 CO -0.34 0.19 1.30 0.50 -0.69 0.00 0.00 178.15 179.11 1vig h LYS 36 N -0.89 0.00 0.00 2.37 3.64 -1.01 1.78 116.57 122.47 1vig h LYS 36 Ca -0.03 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 1vig h LYS 36 Cb 0.51 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1vig h LYS 36 CO 0.04 0.00 -2.09 -3.47 -2.27 0.00 0.00 179.45 171.66 1vig n ASP 37 N -3.95 0.12 0.03 4.20 2.03 -0.75 -2.30 116.55 115.93 1vig n ASP 37 Ca 0.40 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.53 1vig n ASP 37 Cb 1.84 1.67 -0.14 0.00 -0.72 0.00 0.00 41.12 43.76 1vig n ASP 37 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1vig h GLN 38 N 0.00 0.23 -0.08 -0.67 4.15 0.36 -3.37 115.11 115.72 1vig h GLN 38 Ca -0.17 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 58.87 1vig h GLN 38 Cb 1.37 0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.20 1vig h GLN 38 CO 0.01 1.06 0.00 0.66 -1.93 0.00 0.00 178.83 178.63 1vig n TYR 39 N -3.40 0.10 -3.77 3.99 4.02 0.50 -5.01 117.16 113.59 1vig n TYR 39 Ca -0.22 -0.21 -0.27 0.00 -0.01 0.00 0.00 57.90 57.20 1vig n TYR 39 Cb 1.05 -0.02 0.02 0.00 -0.02 0.00 0.00 39.34 40.37 1vig n TYR 39 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1vig n LYS 40 N 0.19 -2.82 -3.10 -0.72 5.02 -0.97 -4.26 118.16 111.49 1vig n LYS 40 Ca 0.04 0.49 -0.11 0.00 -2.02 0.00 0.00 58.31 56.72 1vig n LYS 40 Cb 0.23 -4.56 -0.04 0.00 -0.02 0.00 0.00 35.03 30.64 1vig n LYS 40 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1vig n VAL 41 N -4.25 0.00 -3.93 -0.18 0.24 -1.12 -4.24 118.33 104.85 1vig n VAL 41 Ca -0.22 -1.15 -0.18 0.00 -2.04 0.00 0.00 64.34 60.76 1vig n VAL 41 Cb 0.65 0.50 -0.16 0.00 -1.47 0.00 0.00 33.84 33.35 1vig n VAL 41 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1vig s SER 42 N -2.15 0.63 -0.35 -1.34 0.15 0.26 -4.03 113.70 106.86 1vig s SER 42 Ca 0.15 -0.04 -0.08 0.00 0.70 0.00 0.00 55.95 56.68 1vig s SER 42 Cb 0.01 -0.26 0.04 0.00 -1.71 0.00 0.00 66.02 64.10 1vig s SER 42 CO 0.10 -0.11 0.14 -0.69 1.20 0.00 0.00 173.24 173.88 1vig s VAL 43 N 1.15 3.98 -0.05 4.45 1.01 -1.26 -2.00 120.40 127.68 1vig s VAL 43 Ca -0.08 -1.12 -0.16 0.00 0.00 0.00 0.00 61.98 60.63 1vig s VAL 43 Cb -0.13 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 1vig s VAL 43 CO -0.02 -0.23 0.43 -0.13 0.00 0.00 0.00 175.10 175.15 1vig s ARG 44 N 1.43 4.10 -0.65 2.72 1.81 -0.27 -5.00 118.95 123.09 1vig s ARG 44 Ca -0.00 0.41 -0.10 0.00 -1.72 0.00 0.00 55.73 54.32 1vig s ARG 44 Cb -0.20 -3.31 0.17 0.00 -0.45 0.00 0.00 34.95 31.16 1vig s ARG 44 CO 0.03 0.48 0.54 0.42 -0.68 0.00 0.00 175.30 176.09 1vig s ILE 45 N -0.39 4.66 -0.31 1.52 -1.09 -1.26 -2.06 121.20 122.27 1vig s ILE 45 Ca 0.24 -2.33 -0.29 0.00 -2.23 0.00 0.00 60.65 56.04 1vig s ILE 45 Cb -0.16 -3.98 -0.00 0.00 -1.58 0.00 0.00 42.46 36.74 1vig s ILE 45 CO 0.12 -0.90 1.40 -2.16 -1.23 0.00 0.00 174.94 172.17 1vig s PRO 46 N 0.56 3.79 0.21 2.79 0.04 -1.26 -4.89 135.00 136.24 1vig s PRO 46 Ca 0.13 1.25 0.23 0.00 0.04 0.00 0.00 61.00 62.65 1vig s PRO 46 Cb -0.19 -3.96 0.92 0.00 0.04 0.00 0.00 34.50 31.31 1vig s PRO 46 CO -0.04 -1.29 1.69 -0.35 0.04 0.00 0.00 177.00 177.05 1vig n PRO 47 N 7.61 0.17 -0.67 0.56 -0.04 -1.26 -4.82 135.00 136.54 1vig n PRO 47 Ca 0.16 0.37 -0.32 0.00 -0.04 0.00 0.00 63.50 63.67 1vig n PRO 47 Cb 0.47 -1.81 0.17 0.00 -0.04 0.00 0.00 33.50 32.29 1vig n PRO 47 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1vig n ASP 48 N -2.12 -2.40 -0.74 3.54 5.68 -1.26 -4.73 116.55 114.52 1vig n ASP 48 Ca 0.03 -0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.17 1vig n ASP 48 Cb 0.24 -0.94 0.00 0.00 -1.14 0.00 0.00 41.12 39.28 1vig n ASP 48 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1vig n SER 49 N -1.62 -4.71 0.00 -1.12 7.64 -1.26 -4.89 113.62 107.66 1vig n SER 49 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1vig n SER 49 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1vig n SER 49 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1vig n GLU 50 N -1.47 0.00 -0.01 1.43 -0.00 -1.26 -5.03 120.64 114.30 1vig n GLU 50 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.16 57.15 1vig n GLU 50 Cb 0.00 -0.16 -0.00 0.00 -0.00 0.00 0.00 31.44 31.27 1vig n GLU 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1vig n LYS 51 N -1.96 0.08 -2.47 3.44 4.76 -1.26 -4.78 118.16 115.96 1vig n LYS 51 Ca 0.00 0.03 -0.43 0.00 -2.87 0.00 0.00 58.31 55.04 1vig n LYS 51 Cb 0.00 -0.55 -0.00 0.00 -1.84 0.00 0.00 35.03 32.64 1vig n LYS 51 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1vig n SER 52 N -2.83 4.78 -4.85 4.39 7.64 -1.26 -4.17 113.62 117.32 1vig n SER 52 Ca -0.02 -2.91 -0.24 0.00 1.01 0.00 0.00 58.87 56.71 1vig n SER 52 Cb 0.08 -1.74 0.07 0.00 -1.01 0.00 0.00 64.21 61.61 1vig n SER 52 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1vig s ASN 53 N 4.16 4.78 -0.29 6.43 3.84 -0.41 -4.91 114.94 128.54 1vig s ASN 53 Ca 0.54 0.13 0.03 0.00 0.21 0.00 0.00 52.86 53.77 1vig s ASN 53 Cb 0.05 -0.77 0.18 0.00 -0.55 0.00 0.00 41.25 40.16 1vig s ASN 53 CO 0.06 -1.56 0.48 -0.76 -2.79 0.00 0.00 177.10 172.53 1vig s LEU 54 N -5.10 -1.11 0.33 3.21 1.02 -1.26 -1.58 118.68 114.19 1vig s LEU 54 Ca 0.61 -0.12 -0.29 0.00 0.02 0.00 0.00 54.13 54.35 1vig s LEU 54 Cb -0.09 1.48 -0.11 0.00 0.02 0.00 0.00 46.19 47.48 1vig s LEU 54 CO 0.43 -0.33 1.52 -0.63 0.02 0.00 0.00 176.35 177.36 1vig s ILE 55 N 2.66 2.13 -0.56 -0.59 1.01 -0.55 -4.69 121.20 120.62 1vig s ILE 55 Ca 0.10 0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.69 1vig s ILE 55 Cb -0.12 -3.08 0.10 0.00 0.01 0.00 0.00 42.46 39.37 1vig s ILE 55 CO -0.28 0.02 0.64 -0.13 0.00 0.00 0.00 174.94 175.20 1vig s ARG 56 N -1.31 3.05 0.17 2.79 3.00 -0.87 -2.32 118.95 123.45 1vig s ARG 56 Ca 0.57 -1.28 -0.04 0.00 0.00 0.00 0.00 55.73 54.99 1vig s ARG 56 Cb -0.46 -4.23 -0.05 0.00 0.00 0.00 0.00 34.95 30.21 1vig s ARG 56 CO 0.55 -1.42 0.39 0.42 0.00 0.00 0.00 175.30 175.24 1vig s ILE 57 N 2.48 5.17 -0.29 1.52 -1.09 0.20 -1.12 121.20 128.07 1vig s ILE 57 Ca 0.11 -0.06 -0.23 0.00 -2.23 0.00 0.00 60.65 58.24 1vig s ILE 57 Cb -0.24 -3.66 0.14 0.00 -1.58 0.00 0.00 42.46 37.13 1vig s ILE 57 CO 0.07 -0.03 1.09 -0.70 -1.23 0.00 0.00 174.94 174.14 1vig s GLU 58 N -2.87 0.39 0.00 2.79 2.12 -0.85 -0.48 118.70 119.80 1vig s GLU 58 Ca 0.41 0.51 0.00 0.00 0.36 0.00 0.00 54.97 56.25 1vig s GLU 58 Cb -0.12 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.44 1vig s GLU 58 CO 0.26 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.34 1vig n GLY 59 N 2.46 4.20 1.36 -1.50 0.00 -0.23 -0.57 105.19 110.91 1vig n GLY 59 Ca -0.14 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1vig n GLY 59 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vig n ASP 60 N 0.00 0.45 -2.24 1.61 2.03 -1.26 -2.32 116.55 114.82 1vig n ASP 60 Ca 0.00 0.18 -0.02 0.00 0.52 0.00 0.00 54.79 55.46 1vig n ASP 60 Cb 0.00 -0.05 0.01 0.00 -0.72 0.00 0.00 41.12 40.36 1vig n ASP 60 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1vig n PRO 61 N -3.28 0.54 0.04 -0.67 -0.04 -1.26 -4.44 135.00 125.88 1vig n PRO 61 Ca 0.00 -0.26 0.22 0.00 -0.04 0.00 0.00 63.50 63.42 1vig n PRO 61 Cb 0.11 -0.07 0.70 0.00 -0.04 0.00 0.00 33.50 34.20 1vig n PRO 61 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1vig h GLN 62 N 0.00 0.00 -1.10 0.54 1.08 -1.99 -0.35 115.11 113.30 1vig h GLN 62 Ca -0.03 0.00 0.30 0.00 -1.45 0.00 0.00 58.65 57.47 1vig h GLN 62 Cb 0.12 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.46 1vig h GLN 62 CO 0.03 0.00 0.73 0.78 -0.95 0.00 0.00 178.83 179.42 1vig h GLY 63 N 0.00 0.93 1.13 3.46 0.00 -1.92 0.43 103.07 107.10 1vig h GLY 63 Ca 0.25 -0.15 -0.17 0.00 0.00 0.00 0.00 47.33 47.26 1vig h GLY 63 CO -0.00 -0.13 -0.45 -0.24 0.00 0.00 0.00 176.54 175.72 1vig h VAL 64 N 0.27 1.27 0.00 4.60 3.04 -1.23 0.25 116.25 124.45 1vig h VAL 64 Ca 0.61 -1.62 -0.13 0.00 -1.01 0.00 0.00 66.70 64.54 1vig h VAL 64 Cb 1.78 1.49 -0.02 0.00 -2.01 0.00 0.00 31.29 32.53 1vig h VAL 64 CO -0.24 0.54 -0.63 0.06 -1.01 0.00 0.00 177.57 176.29 1vig h GLN 65 N 0.71 0.00 0.04 4.17 3.07 -0.81 -1.44 115.11 120.85 1vig h GLN 65 Ca 0.04 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.68 1vig h GLN 65 Cb 1.05 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.62 1vig h GLN 65 CO 0.11 0.63 -0.42 0.37 0.09 0.00 0.00 178.83 179.60 1vig h GLN 66 N 0.00 0.21 -0.35 0.06 4.15 -0.22 -2.69 115.11 116.28 1vig h GLN 66 Ca -0.01 -0.28 -0.08 0.00 0.77 0.00 0.00 58.65 59.05 1vig h GLN 66 Cb 1.34 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 29.11 1vig h GLN 66 CO 0.08 1.06 -0.11 0.00 -1.93 0.00 0.00 178.83 177.93 1vig h ALA 67 N 0.17 1.16 0.50 3.38 0.00 -0.56 0.15 119.26 124.06 1vig h ALA 67 Ca -0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1vig h ALA 67 Cb 1.24 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1vig h ALA 67 CO 0.08 0.53 -0.24 -0.22 0.00 0.00 0.00 179.25 179.40 1vig h LYS 68 N 0.55 -0.65 0.00 0.00 3.64 -1.32 0.63 116.57 119.42 1vig h LYS 68 Ca 0.10 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1vig h LYS 68 Cb 0.52 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1vig h LYS 68 CO 0.03 -0.41 -0.16 0.00 -2.27 0.00 0.00 179.45 176.65 1vig h ARG 69 N -0.73 0.00 0.43 1.90 3.08 -1.36 -1.74 114.38 115.95 1vig h ARG 69 Ca -0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1vig h ARG 69 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1vig h ARG 69 CO 0.11 0.16 -0.21 1.49 -1.07 0.00 0.00 179.97 180.46 1vig h GLU 70 N 0.00 -0.55 -0.84 0.04 4.57 -0.21 -3.30 114.58 114.29 1vig h GLU 70 Ca -0.00 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1vig h GLU 70 Cb 0.51 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.18 1vig h GLU 70 CO 0.02 -0.29 0.49 -0.07 -1.18 0.00 0.00 179.01 177.99 1vig h LEU 71 N -1.07 1.02 -1.96 1.64 3.38 -0.86 0.33 115.31 117.78 1vig h LEU 71 Ca -0.06 -0.07 0.52 0.00 0.09 0.00 0.00 57.88 58.35 1vig h LEU 71 Cb 0.52 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 1vig h LEU 71 CO 0.10 0.80 1.31 0.25 0.09 0.00 0.00 178.44 180.98 1vig h LEU 72 N 1.16 0.00 0.00 1.67 6.46 -1.39 0.96 115.31 124.17 1vig h LEU 72 Ca 0.30 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 1vig h LEU 72 Cb -0.03 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 1vig h LEU 72 CO -0.05 0.00 0.00 -0.62 -0.62 0.00 0.00 178.44 177.15 1vig n GLU 73 N -3.95 0.00 0.25 1.25 4.71 -0.97 -4.79 120.64 117.14 1vig n GLU 73 Ca 0.40 0.00 0.15 0.00 -0.01 0.00 0.00 57.16 57.70 1vig n GLU 73 Cb 1.85 -0.16 0.85 0.00 -1.01 0.00 0.00 31.44 32.97 1vig n GLU 73 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1vig h LEU 74 N 0.00 0.00 -0.47 -4.62 3.38 -0.44 -3.48 115.31 109.69 1vig h LEU 74 Ca 0.00 0.00 0.37 0.00 0.09 0.00 0.00 57.88 58.34 1vig h LEU 74 Cb 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.60 1vig h LEU 74 CO 0.00 0.00 -0.97 0.00 0.09 0.00 0.00 178.44 177.56 1vig n ALA 75 N -2.35 -3.76 1.48 1.53 0.00 0.33 -4.92 120.51 112.83 1vig n ALA 75 Ca -0.01 0.74 0.14 0.00 0.00 0.00 0.00 53.44 54.31 1vig n ALA 75 Cb 0.20 -1.46 0.51 0.00 0.00 0.00 0.00 19.45 18.69 1vig n ALA 75 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95