#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vig n ASN 7 N 0.00 -0.04 -4.56 4.38 0.23 -1.26 -4.80 115.26 109.22 1vig n ASN 7 Ca 0.00 0.34 -0.25 0.00 -0.53 0.00 0.00 54.58 54.14 1vig n ASN 7 Cb 0.00 -1.44 -0.05 0.00 -2.08 0.00 0.00 39.78 36.21 1vig n ASN 7 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1vig s ARG 8 N -4.57 2.14 0.95 -3.83 1.81 -1.26 -4.94 118.95 109.26 1vig s ARG 8 Ca 0.67 0.39 -0.11 0.00 -1.72 0.00 0.00 55.73 54.96 1vig s ARG 8 Cb -0.23 -4.79 0.17 0.00 -0.45 0.00 0.00 34.95 29.64 1vig s ARG 8 CO 0.59 -3.67 1.11 -1.64 -0.68 0.00 0.00 175.30 171.01 1vig s MET 9 N 7.91 0.74 -0.01 3.54 -1.94 -1.26 -4.62 119.30 123.65 1vig s MET 9 Ca 0.82 1.26 0.01 0.00 -1.71 0.00 0.00 55.69 56.08 1vig s MET 9 Cb -0.11 -1.72 0.00 0.00 2.01 0.00 0.00 34.83 35.01 1vig s MET 9 CO 0.10 -2.73 -0.04 -0.51 -0.01 0.00 0.00 175.02 171.83 1vig s ASP 10 N -2.81 0.55 0.32 3.03 1.11 -0.75 -4.96 116.67 113.16 1vig s ASP 10 Ca 0.66 -0.08 0.04 0.00 0.18 0.00 0.00 52.55 53.35 1vig s ASP 10 Cb -0.22 -0.12 -0.06 0.00 1.07 0.00 0.00 42.92 43.59 1vig s ASP 10 CO 0.59 0.02 0.05 -0.72 1.18 0.00 0.00 175.17 176.29 1vig s TYR 11 N 0.15 1.95 -0.29 4.23 1.13 -1.26 -0.74 117.35 122.52 1vig s TYR 11 Ca -0.01 -0.94 -0.26 0.00 -1.41 0.00 0.00 57.07 54.45 1vig s TYR 11 Cb -0.05 -1.26 0.17 0.00 -1.10 0.00 0.00 41.96 39.72 1vig s TYR 11 CO -0.00 0.02 1.32 0.54 -2.51 0.00 0.00 175.55 174.92 1vig s VAL 12 N -3.28 0.00 -0.09 -3.49 0.11 0.15 -4.95 120.40 108.85 1vig s VAL 12 Ca 0.36 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.39 1vig s VAL 12 Cb 0.08 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 1vig s VAL 12 CO 0.15 0.00 0.01 -1.61 -3.33 0.00 0.00 175.10 170.32 1vig s GLU 13 N -0.10 3.01 -0.13 1.54 2.02 -1.26 -1.28 118.70 122.49 1vig s GLU 13 Ca 0.06 -0.39 0.03 0.00 0.02 0.00 0.00 54.97 54.69 1vig s GLU 13 Cb -0.04 -2.82 0.01 0.00 0.10 0.00 0.00 34.13 31.38 1vig s GLU 13 CO -0.12 0.71 -0.22 0.96 0.02 0.00 0.00 175.26 176.61 1vig s ILE 14 N -0.90 2.07 -0.76 -1.63 -4.36 -0.83 -4.99 121.20 109.81 1vig s ILE 14 Ca 0.13 -0.98 -0.26 0.00 -0.26 0.00 0.00 60.65 59.28 1vig s ILE 14 Cb -0.11 -1.82 0.00 0.00 1.25 0.00 0.00 42.46 41.78 1vig s ILE 14 CO 0.02 0.55 1.61 0.21 0.24 0.00 0.00 174.94 177.57 1vig s ASN 15 N 0.73 5.74 0.03 4.36 3.04 -1.26 -1.71 114.94 125.88 1vig s ASN 15 Ca -0.09 -0.35 0.03 0.00 0.04 0.00 0.00 52.86 52.49 1vig s ASN 15 Cb -0.16 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 36.96 1vig s ASN 15 CO -0.00 -2.12 -0.03 -0.63 -3.04 0.00 0.00 177.10 171.28 1vig s ILE 16 N 7.45 3.90 -0.37 -5.21 -1.09 -0.46 -4.97 121.20 120.45 1vig s ILE 16 Ca 0.53 -0.80 -0.02 0.00 -2.23 0.00 0.00 60.65 58.14 1vig s ILE 16 Cb -0.08 -2.76 0.19 0.00 -1.58 0.00 0.00 42.46 38.23 1vig s ILE 16 CO 0.11 0.30 0.88 1.51 -1.23 0.00 0.00 174.94 176.52 1vig s ASP 17 N -1.73 -0.83 0.00 3.58 1.47 -1.26 -0.71 116.67 117.18 1vig s ASP 17 Ca 0.20 -0.53 0.00 0.00 1.18 0.00 0.00 52.55 53.40 1vig s ASP 17 Cb -0.11 1.07 0.00 0.00 -0.34 0.00 0.00 42.92 43.54 1vig s ASP 17 CO 0.11 -0.08 0.00 1.57 0.68 0.00 0.00 175.17 177.45 1vig n HIS 18 N 3.76 0.00 -1.89 2.11 -0.00 -1.26 -4.94 115.22 113.00 1vig n HIS 18 Ca 0.09 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.10 1vig n HIS 18 Cb 0.61 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.43 1vig n HIS 18 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1vig n LYS 19 N 0.00 -1.60 0.18 1.57 4.01 -1.26 -4.86 118.16 116.21 1vig n LYS 19 Ca 0.00 0.95 -0.15 0.00 -0.51 0.00 0.00 58.31 58.61 1vig n LYS 19 Cb 0.00 -5.41 -0.08 0.00 -0.51 0.00 0.00 35.03 29.03 1vig n LYS 19 CO 0.00 0.00 0.00 0.74 -1.11 0.00 0.00 177.40 177.03 1vig h PHE 20 N 0.00 -0.37 -0.03 2.13 -1.00 -1.96 -1.38 116.94 114.33 1vig h PHE 20 Ca -0.38 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.40 1vig h PHE 20 Cb 1.21 0.12 -0.02 0.00 3.61 0.00 0.00 35.95 40.87 1vig h PHE 20 CO 0.54 -0.22 -0.18 0.45 -1.61 0.00 0.00 178.31 177.30 1vig h HIS 21 N -0.43 -0.53 -0.70 -0.55 3.86 -1.98 0.86 115.15 115.69 1vig h HIS 21 Ca -0.04 0.02 0.20 0.00 -1.16 0.00 0.00 60.37 59.39 1vig h HIS 21 Cb 0.33 0.23 -0.03 0.00 1.06 0.00 0.00 27.41 29.00 1vig h HIS 21 CO -0.05 -0.18 0.60 -0.09 0.86 0.00 0.00 177.93 179.07 1vig h ARG 22 N -0.20 0.00 0.00 2.45 1.12 -1.85 1.36 114.38 117.27 1vig h ARG 22 Ca 0.01 0.00 -0.20 0.00 -1.11 0.00 0.00 59.98 58.68 1vig h ARG 22 Cb 0.22 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.16 1vig h ARG 22 CO -0.14 0.00 -0.97 0.45 -3.11 0.00 0.00 179.97 176.21 1vig h HIS 23 N 0.00 0.01 0.00 2.20 3.86 0.33 0.17 115.15 121.73 1vig h HIS 23 Ca 0.33 -0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.36 1vig h HIS 23 Cb 1.52 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.97 1vig h HIS 23 CO 0.00 0.97 -1.02 -0.07 0.86 0.00 0.00 177.93 178.67 1vig h LEU 24 N 0.00 0.00 -0.24 2.43 3.38 0.72 -3.38 115.31 118.22 1vig h LEU 24 Ca -0.01 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 1vig h LEU 24 Cb 1.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 1vig h LEU 24 CO 0.13 1.30 -0.27 0.16 0.09 0.00 0.00 178.44 179.85 1vig h ILE 25 N -1.00 0.49 0.00 1.22 3.07 0.12 -3.26 117.51 118.15 1vig h ILE 25 Ca -0.26 -1.56 0.00 0.00 1.55 0.00 0.00 64.86 64.59 1vig h ILE 25 Cb 1.11 2.14 0.00 0.00 -0.27 0.00 0.00 36.82 39.80 1vig h ILE 25 CO -0.16 0.26 0.00 0.61 -1.05 0.00 0.00 178.15 177.82 1vig n GLY 26 N 0.96 2.24 1.48 0.16 0.00 0.61 -0.09 105.19 110.55 1vig n GLY 26 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1vig n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vig n LYS 27 N 0.00 0.00 -0.18 1.61 4.81 -1.26 -4.69 118.16 118.44 1vig n LYS 27 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1vig n LYS 27 Cb 0.00 -0.12 0.16 0.00 0.02 0.00 0.00 35.03 35.09 1vig n LYS 27 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1vig n SER 28 N -2.24 2.33 -1.74 3.14 7.64 -1.23 -5.09 113.62 116.43 1vig n SER 28 Ca 0.00 -3.22 0.00 0.00 1.01 0.00 0.00 58.87 56.66 1vig n SER 28 Cb 0.00 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 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 -1.34 -4.86 0.41 0.23 0.00 0.87 -5.05 105.19 95.46 1vig n GLY 29 Ca 0.17 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.22 0.00 -0.32 4.61 0.00 -1.23 -4.95 120.51 118.41 1vig n ALA 30 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1vig n ALA 30 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 1vig n ALA 30 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1vig h ASN 31 N 0.00 0.84 -0.91 0.00 -1.24 -1.83 -0.33 115.58 112.11 1vig h ASN 31 Ca 0.00 0.03 0.26 0.00 0.71 0.00 0.00 56.30 57.30 1vig h ASN 31 Cb 0.00 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 38.87 1vig h ASN 31 CO 0.00 0.51 0.72 0.16 -1.29 0.00 0.00 177.43 177.53 1vig h ILE 32 N 0.96 0.43 -0.04 2.57 3.07 -1.90 0.66 117.51 123.26 1vig h ILE 32 Ca 0.41 0.00 -0.24 0.00 1.55 0.00 0.00 64.86 66.58 1vig h ILE 32 Cb 0.27 0.48 0.01 0.00 -0.27 0.00 0.00 36.82 37.31 1vig h ILE 32 CO -0.21 0.00 -0.93 -1.13 -1.05 0.00 0.00 178.15 174.83 1vig h ASN 33 N 0.00 0.75 -0.27 2.16 -0.00 -1.42 -0.30 115.58 116.50 1vig h ASN 33 Ca 0.43 -0.57 -0.00 0.00 -0.00 0.00 0.00 56.30 56.16 1vig h ASN 33 Cb 1.86 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 39.94 1vig h ASN 33 CO -0.00 1.36 0.16 0.03 -0.00 0.00 0.00 177.43 178.97 1vig h ARG 34 N 0.35 0.37 0.44 6.67 3.08 0.33 -2.04 114.38 123.59 1vig h ARG 34 Ca -0.09 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1vig h ARG 34 Cb 1.57 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.55 1vig h ARG 34 CO 0.18 0.31 -0.21 0.82 -1.07 0.00 0.00 179.97 179.99 1vig h ILE 35 N 0.33 0.00 -1.86 2.04 5.03 -1.39 0.36 117.51 122.02 1vig h ILE 35 Ca 0.10 -0.52 0.55 0.00 -0.12 0.00 0.00 64.86 64.87 1vig h ILE 35 Cb 0.04 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 33.74 1vig h ILE 35 CO -0.02 0.00 1.32 0.11 -0.68 0.00 0.00 178.15 178.88 1vig h LYS 36 N -1.10 0.00 0.04 2.37 1.57 -1.09 0.98 116.57 119.34 1vig h LYS 36 Ca -0.06 -0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.35 1vig h LYS 36 Cb 0.45 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 1vig h LYS 36 CO 0.10 0.00 -2.21 -3.47 -0.57 0.00 0.00 179.45 173.30 1vig n ASP 37 N -4.09 1.53 -0.10 0.86 -0.08 -0.77 -0.91 116.55 112.99 1vig n ASP 37 Ca 0.44 0.07 -0.07 0.00 -1.51 0.00 0.00 54.79 53.72 1vig n ASP 37 Cb 1.93 -0.26 0.11 0.00 2.34 0.00 0.00 41.12 45.24 1vig n ASP 37 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1vig h GLN 38 N 0.02 0.80 -0.16 -0.67 5.75 0.47 -3.17 115.11 118.15 1vig h GLN 38 Ca -0.49 -0.28 0.00 0.00 -0.15 0.00 0.00 58.65 57.74 1vig h GLN 38 Cb 2.02 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 30.51 1vig h GLN 38 CO 0.01 0.89 0.00 0.66 -2.65 0.00 0.00 178.83 177.74 1vig n TYR 39 N -4.15 0.22 -3.92 3.99 4.02 0.27 -5.00 117.16 112.59 1vig n TYR 39 Ca 0.01 -0.44 -0.25 0.00 -0.01 0.00 0.00 57.90 57.21 1vig n TYR 39 Cb 0.38 -0.03 -0.01 0.00 -0.02 0.00 0.00 39.34 39.65 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 0.08 -3.26 -2.99 -0.72 5.02 -0.62 -4.48 118.16 111.19 1vig n LYS 40 Ca 0.06 0.42 -0.11 0.00 -2.02 0.00 0.00 58.31 56.66 1vig n LYS 40 Cb 0.32 -4.53 -0.03 0.00 -0.02 0.00 0.00 35.03 30.77 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 -4.38 0.00 -3.64 -0.18 0.24 -0.08 -4.32 118.33 105.96 1vig n VAL 41 Ca -0.30 -0.92 -0.29 0.00 -2.04 0.00 0.00 64.34 60.79 1vig n VAL 41 Cb 0.68 0.24 -0.12 0.00 -1.47 0.00 0.00 33.84 33.17 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 -2.03 3.29 -0.46 -1.34 0.15 0.14 -4.34 113.70 109.10 1vig s SER 42 Ca 0.03 -2.82 -0.22 0.00 0.70 0.00 0.00 55.95 53.65 1vig s SER 42 Cb 0.00 -0.91 0.03 0.00 -1.71 0.00 0.00 66.02 63.43 1vig s SER 42 CO 0.02 -0.23 0.72 0.54 1.20 0.00 0.00 173.24 175.49 1vig s VAL 43 N 0.15 4.73 -0.23 4.45 0.11 -1.26 -2.30 120.40 126.05 1vig s VAL 43 Ca 0.22 0.18 -0.08 0.00 -2.93 0.00 0.00 61.98 59.37 1vig s VAL 43 Cb -0.16 -4.28 -0.04 0.00 -1.53 0.00 0.00 36.38 30.37 1vig s VAL 43 CO -0.06 -0.70 0.10 -0.13 -3.33 0.00 0.00 175.10 170.98 1vig s ARG 44 N 3.06 3.86 -0.49 1.54 0.52 -0.13 -4.87 118.95 122.43 1vig s ARG 44 Ca 0.25 -0.38 -0.17 0.00 -0.52 0.00 0.00 55.73 54.91 1vig s ARG 44 Cb -0.14 -3.38 0.07 0.00 0.52 0.00 0.00 34.95 32.03 1vig s ARG 44 CO 0.20 -0.01 0.48 0.42 0.02 0.00 0.00 175.30 176.41 1vig s ILE 45 N 1.19 5.11 -0.42 1.52 -1.09 -1.26 -2.05 121.20 124.20 1vig s ILE 45 Ca 0.05 -0.93 -0.29 0.00 -2.23 0.00 0.00 60.65 57.26 1vig s ILE 45 Cb -0.14 -4.21 0.02 0.00 -1.58 0.00 0.00 42.46 36.55 1vig s ILE 45 CO 0.04 -0.69 1.25 -2.16 -1.23 0.00 0.00 174.94 172.15 1vig s PRO 46 N 1.97 3.73 -1.03 2.79 0.04 -1.26 -4.97 135.00 136.27 1vig s PRO 46 Ca 0.07 0.83 -0.23 0.00 0.04 0.00 0.00 61.00 61.72 1vig s PRO 46 Cb -0.23 -3.93 0.05 0.00 0.04 0.00 0.00 34.50 30.43 1vig s PRO 46 CO 0.08 -1.37 1.47 -1.25 0.04 0.00 0.00 177.00 175.97 1vig s PRO 47 N 4.51 3.59 0.17 0.56 0.04 -1.26 -4.89 135.00 137.72 1vig s PRO 47 Ca 0.53 -1.15 0.01 0.00 0.04 0.00 0.00 61.00 60.44 1vig s PRO 47 Cb -0.11 -5.36 -0.01 0.00 0.04 0.00 0.00 34.50 29.06 1vig s PRO 47 CO 0.29 -2.23 0.05 -0.40 0.04 0.00 0.00 177.00 174.75 1vig n ASP 48 N 8.95 1.26 -2.80 6.66 5.75 -1.26 -5.12 116.55 129.98 1vig n ASP 48 Ca 0.34 -1.87 -0.09 0.00 -0.01 0.00 0.00 54.79 53.16 1vig n ASP 48 Cb 0.51 0.38 0.03 0.00 -1.03 0.00 0.00 41.12 41.00 1vig n ASP 48 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1vig n SER 49 N -1.74 -2.73 -3.54 -1.12 7.64 -1.26 -5.07 113.62 105.79 1vig n SER 49 Ca -0.03 -3.15 -0.25 0.00 1.01 0.00 0.00 58.87 56.45 1vig n SER 49 Cb 0.25 1.56 -0.15 0.00 -1.01 0.00 0.00 64.21 64.86 1vig n SER 49 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1vig s GLU 50 N 0.58 0.17 0.71 1.43 -6.30 -1.26 -5.02 118.70 109.00 1vig s GLU 50 Ca 0.32 -0.26 0.00 0.00 -2.50 0.00 0.00 54.97 52.53 1vig s GLU 50 Cb 0.17 -1.31 0.00 0.00 0.00 0.00 0.00 34.13 32.99 1vig s GLU 50 CO -0.19 -0.87 0.00 1.63 0.02 0.00 0.00 175.26 175.85 1vig n LYS 51 N 5.27 0.00 -2.30 4.30 5.02 -1.26 -4.56 118.16 124.64 1vig n LYS 51 Ca -0.06 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.20 1vig n LYS 51 Cb 0.46 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.46 1vig n LYS 51 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1vig n SER 52 N 1.66 1.71 -4.47 4.39 2.88 -1.26 -5.10 113.62 113.43 1vig n SER 52 Ca 0.00 -1.25 -0.23 0.00 -1.33 0.00 0.00 58.87 56.06 1vig n SER 52 Cb 0.00 0.07 -0.10 0.00 -0.75 0.00 0.00 64.21 63.43 1vig n SER 52 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1vig s ASN 53 N -1.31 3.24 -0.30 -3.46 0.01 0.11 -4.85 114.94 108.38 1vig s ASN 53 Ca 0.01 -1.14 0.02 0.00 -0.71 0.00 0.00 52.86 51.04 1vig s ASN 53 Cb 0.00 -0.25 0.16 0.00 0.41 0.00 0.00 41.25 41.57 1vig s ASN 53 CO 0.01 -0.20 0.41 -0.76 -1.51 0.00 0.00 177.10 175.05 1vig s LEU 54 N -3.50 -0.74 0.38 0.60 1.02 -1.26 -1.36 118.68 113.83 1vig s LEU 54 Ca 0.30 -0.50 -0.25 0.00 0.02 0.00 0.00 54.13 53.70 1vig s LEU 54 Cb 0.01 1.08 -0.09 0.00 0.02 0.00 0.00 46.19 47.21 1vig s LEU 54 CO 0.14 -0.34 1.11 -0.63 0.02 0.00 0.00 176.35 176.65 1vig s ILE 55 N 2.43 3.41 -0.39 -0.59 1.01 -0.69 -4.71 121.20 121.68 1vig s ILE 55 Ca 0.10 1.17 -0.12 0.00 0.00 0.00 0.00 60.65 61.80 1vig s ILE 55 Cb -0.12 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.73 1vig s ILE 55 CO -0.28 0.09 0.23 -0.13 0.00 0.00 0.00 174.94 174.86 1vig s ARG 56 N -2.26 2.84 -0.16 2.79 0.52 -0.87 -1.96 118.95 119.85 1vig s ARG 56 Ca 0.56 -1.09 -0.03 0.00 -0.52 0.00 0.00 55.73 54.65 1vig s ARG 56 Cb -0.28 -3.80 -0.02 0.00 0.52 0.00 0.00 34.95 31.37 1vig s ARG 56 CO 0.35 -0.73 -0.06 0.42 0.02 0.00 0.00 175.30 175.29 1vig s ILE 57 N 1.58 3.55 -0.18 1.52 -1.09 -0.41 -0.96 121.20 125.21 1vig s ILE 57 Ca 0.03 -0.47 -0.12 0.00 -2.23 0.00 0.00 60.65 57.85 1vig s ILE 57 Cb -0.19 -2.55 0.06 0.00 -1.58 0.00 0.00 42.46 38.19 1vig s ILE 57 CO 0.07 0.49 0.46 -0.70 -1.23 0.00 0.00 174.94 174.03 1vig s GLU 58 N 0.60 0.48 0.00 2.79 2.12 -0.97 0.33 118.70 124.05 1vig s GLU 58 Ca -0.04 0.79 0.00 0.00 0.36 0.00 0.00 54.97 56.08 1vig s GLU 58 Cb -0.15 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.34 1vig s GLU 58 CO 0.03 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 1vig n GLY 59 N 3.77 3.17 0.00 -1.50 0.00 0.08 0.24 105.19 110.95 1vig n GLY 59 Ca -0.19 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1vig n GLY 59 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vig n ASP 60 N 0.00 0.00 0.02 1.61 8.00 -1.26 -1.81 116.55 123.12 1vig n ASP 60 Ca 0.00 -0.12 -0.19 0.00 0.71 0.00 0.00 54.79 55.19 1vig n ASP 60 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 1vig n ASP 60 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1vig h PRO 61 N 0.00 0.23 0.00 -0.24 0.13 -1.91 -3.32 132.00 126.88 1vig h PRO 61 Ca 0.00 -0.40 -0.32 0.00 -0.87 0.00 0.00 66.00 64.41 1vig h PRO 61 Cb 0.00 0.15 -0.05 0.00 0.13 0.00 0.00 31.00 31.23 1vig h PRO 61 CO 0.00 1.19 -1.82 1.04 -0.23 0.00 0.00 178.00 178.18 1vig n GLN 62 N -4.22 0.57 -0.23 0.86 6.02 -1.26 -3.95 117.38 115.16 1vig n GLN 62 Ca -0.13 0.41 0.04 0.00 -0.01 0.00 0.00 57.00 57.30 1vig n GLN 62 Cb 0.75 -1.61 0.15 0.00 1.02 0.00 0.00 30.24 30.55 1vig n GLN 62 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1vig h GLY 63 N -1.00 0.85 0.85 1.08 0.00 -1.80 0.50 103.07 103.54 1vig h GLY 63 Ca -0.48 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 1vig h GLY 63 CO -0.29 -0.22 -0.01 -0.24 0.00 0.00 0.00 176.54 175.78 1vig h VAL 64 N 0.17 1.26 0.00 4.60 3.04 -1.78 -1.58 116.25 121.96 1vig h VAL 64 Ca 0.38 -0.92 -0.08 0.00 -1.01 0.00 0.00 66.70 65.07 1vig h VAL 64 Cb 0.65 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 31.29 1vig h VAL 64 CO -0.56 0.29 -0.38 0.06 -1.01 0.00 0.00 177.57 175.97 1vig h GLN 65 N 0.21 0.00 0.00 4.17 3.07 -1.48 -0.35 115.11 120.74 1vig h GLN 65 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.81 1vig h GLN 65 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.99 1vig h GLN 65 CO 0.01 0.38 -0.00 1.96 0.09 0.00 0.00 178.83 181.27 1vig h GLN 66 N 0.00 -0.00 -0.30 0.06 1.08 0.13 -2.31 115.11 113.77 1vig h GLN 66 Ca -0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.08 1vig h GLN 66 Cb 0.73 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 1vig h GLN 66 CO 0.05 0.56 -0.29 0.00 -0.95 0.00 0.00 178.83 178.19 1vig h ALA 67 N 0.43 0.94 0.91 3.87 0.00 -1.24 -0.11 119.26 124.06 1vig h ALA 67 Ca -0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1vig h ALA 67 Cb 0.56 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1vig h ALA 67 CO 0.00 0.61 -0.44 -0.22 0.00 0.00 0.00 179.25 179.21 1vig h LYS 68 N 0.53 -1.18 -0.81 0.00 3.64 -1.09 0.11 116.57 117.76 1vig h LYS 68 Ca 0.07 0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1vig h LYS 68 Cb 0.77 0.27 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 1vig h LYS 68 CO 0.06 -0.79 0.45 0.00 -2.27 0.00 0.00 179.45 176.90 1vig h ARG 69 N -1.25 1.12 -0.72 1.90 3.08 -1.45 -2.46 114.38 114.60 1vig h ARG 69 Ca -0.13 -0.13 0.04 0.00 0.07 0.00 0.00 59.98 59.83 1vig h ARG 69 Cb 0.94 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 30.72 1vig h ARG 69 CO 0.21 0.83 0.45 1.49 -1.07 0.00 0.00 179.97 181.87 1vig h GLU 70 N 1.12 0.84 0.07 0.04 4.57 -0.94 -2.58 114.58 117.71 1vig h GLU 70 Ca 0.28 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1vig h GLU 70 Cb 0.03 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.43 1vig h GLU 70 CO -0.05 0.55 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.22 1vig h LEU 71 N 0.86 -0.12 -2.11 1.64 3.38 -0.34 0.18 115.31 118.80 1vig h LEU 71 Ca 0.30 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.34 1vig h LEU 71 Cb 0.06 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1vig h LEU 71 CO -0.13 -0.08 0.32 -0.07 0.09 0.00 0.00 178.44 178.57 1vig h LEU 72 N -0.12 0.00 0.00 1.67 3.38 -1.09 0.46 115.31 119.61 1vig h LEU 72 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vig h LEU 72 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1vig h LEU 72 CO 0.00 0.00 -0.17 -0.33 0.09 0.00 0.00 178.44 178.03 1vig h GLU 73 N 0.00 0.00 0.59 1.13 4.39 -0.91 -3.43 114.58 116.36 1vig h GLU 73 Ca 0.10 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 1vig h GLU 73 Cb 0.73 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1vig h GLU 73 CO -0.00 0.00 -0.28 -0.07 -1.16 0.00 0.00 179.01 177.50 1vig h LEU 74 N -0.36 -0.67 -2.38 1.33 3.38 -0.57 -3.49 115.31 112.55 1vig h LEU 74 Ca 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1vig h LEU 74 Cb 0.17 0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1vig h LEU 74 CO 0.00 -0.37 -0.06 0.00 0.09 0.00 0.00 178.44 178.10 1vig n ALA 75 N -2.57 -2.49 0.15 1.53 0.00 0.16 -5.05 120.51 112.24 1vig n ALA 75 Ca -0.10 0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.36 1vig n ALA 75 Cb 0.31 -1.78 0.07 0.00 0.00 0.00 0.00 19.45 18.06 1vig n ALA 75 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95