#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 -2.59 -1.41 4.38 2.85 -1.26 -4.30 115.26 112.94 1vig n ASN 7 Ca 0.00 1.25 -0.16 0.00 -0.11 0.00 0.00 54.58 55.55 1vig n ASN 7 Cb 0.00 -4.57 -0.05 0.00 1.24 0.00 0.00 39.78 36.39 1vig n ASN 7 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1vig n ARG 8 N 1.46 -1.17 -0.60 1.20 1.74 -1.26 -4.75 116.66 113.27 1vig n ARG 8 Ca -0.27 1.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.89 1vig n ARG 8 Cb 0.41 -5.24 -0.02 0.00 -1.02 0.00 0.00 32.46 26.59 1vig n ARG 8 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1vig n MET 9 N -2.54 -1.21 -4.30 5.56 2.81 -1.26 -4.89 117.12 111.29 1vig n MET 9 Ca -0.17 0.80 -0.20 0.00 -1.81 0.00 0.00 57.70 56.31 1vig n MET 9 Cb 0.56 -1.48 -0.13 0.00 -0.71 0.00 0.00 33.22 31.47 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 -4.89 1.85 0.02 7.83 1.01 -1.01 -4.49 116.67 117.00 1vig s ASP 10 Ca 0.00 -0.55 -0.03 0.00 0.71 0.00 0.00 52.55 52.68 1vig s ASP 10 Cb 0.00 -0.10 -0.01 0.00 1.01 0.00 0.00 42.92 43.82 1vig s ASP 10 CO 0.00 0.01 0.05 -0.72 0.21 0.00 0.00 175.17 174.72 1vig s TYR 11 N -1.04 0.21 -0.09 4.23 -0.85 -1.26 -0.78 117.35 117.76 1vig s TYR 11 Ca 0.01 -0.46 -0.19 0.00 -0.52 0.00 0.00 57.07 55.92 1vig s TYR 11 Cb -0.09 -0.16 0.04 0.00 0.38 0.00 0.00 41.96 42.14 1vig s TYR 11 CO 0.02 -0.28 0.45 0.14 -1.52 0.00 0.00 175.55 174.36 1vig s VAL 12 N -1.93 0.02 -0.06 -3.49 -7.23 0.14 -4.98 120.40 102.88 1vig s VAL 12 Ca -0.11 -0.18 0.04 0.00 -1.81 0.00 0.00 61.98 59.92 1vig s VAL 12 Cb -0.06 -0.70 -0.02 0.00 0.56 0.00 0.00 36.38 36.16 1vig s VAL 12 CO -0.02 -0.10 -0.17 -1.61 -0.31 0.00 0.00 175.10 172.89 1vig s GLU 13 N -0.61 2.58 -0.18 4.82 0.41 -1.26 -1.32 118.70 123.14 1vig s GLU 13 Ca -0.07 -0.76 -0.02 0.00 -0.41 0.00 0.00 54.97 53.72 1vig s GLU 13 Cb -0.03 -2.34 -0.01 0.00 -1.78 0.00 0.00 34.13 29.98 1vig s GLU 13 CO 0.04 0.52 -0.10 0.96 -0.49 0.00 0.00 175.26 176.19 1vig s ILE 14 N -0.48 3.01 -0.65 -1.63 -4.36 -0.97 -4.99 121.20 111.12 1vig s ILE 14 Ca 0.06 -0.64 -0.27 0.00 -0.26 0.00 0.00 60.65 59.55 1vig s ILE 14 Cb -0.12 -2.32 0.00 0.00 1.25 0.00 0.00 42.46 41.28 1vig s ILE 14 CO 0.01 0.48 1.58 0.21 0.24 0.00 0.00 174.94 177.47 1vig s ASN 15 N 1.04 5.72 0.19 4.36 3.04 -1.26 -2.23 114.94 125.79 1vig s ASN 15 Ca -0.00 0.03 0.06 0.00 0.04 0.00 0.00 52.86 52.98 1vig s ASN 15 Cb -0.15 -2.54 -0.04 0.00 -1.54 0.00 0.00 41.25 36.98 1vig s ASN 15 CO -0.02 -2.09 0.14 -0.63 -3.04 0.00 0.00 177.10 171.46 1vig s ILE 16 N 7.41 4.41 0.07 -5.21 -1.09 0.09 -4.98 121.20 121.90 1vig s ILE 16 Ca 0.53 -1.19 0.00 0.00 -2.23 0.00 0.00 60.65 57.76 1vig s ILE 16 Cb -0.11 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.49 1vig s ILE 16 CO 0.19 -0.16 0.00 0.47 -1.23 0.00 0.00 174.94 174.21 1vig n ASP 17 N -0.52 0.18 -4.12 3.58 9.92 -1.26 0.13 116.55 124.46 1vig n ASP 17 Ca -0.08 0.12 -0.34 0.00 -0.53 0.00 0.00 54.79 53.96 1vig n ASP 17 Cb 0.55 0.01 0.12 0.00 -0.64 0.00 0.00 41.12 41.16 1vig n ASP 17 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1vig n HIS 18 N -2.88 -1.41 -0.99 1.24 8.25 -1.26 -4.67 115.22 113.51 1vig n HIS 18 Ca 0.00 0.35 -0.29 0.00 -0.26 0.00 0.00 57.72 57.51 1vig n HIS 18 Cb 0.00 -1.48 -0.02 0.00 1.12 0.00 0.00 29.99 29.61 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 -0.25 2.77 -0.11 -0.41 2.85 -1.26 -4.49 118.16 117.27 1vig n LYS 19 Ca -0.00 -1.78 -0.12 0.00 -1.05 0.00 0.00 58.31 55.36 1vig n LYS 19 Cb 0.65 -2.60 -0.03 0.00 -0.65 0.00 0.00 35.03 32.40 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 5.76 0.85 0.55 5.58 -1.00 -1.98 -2.72 116.94 123.99 1vig h PHE 20 Ca 0.66 -0.23 -0.02 0.00 2.81 0.00 0.00 57.97 61.19 1vig h PHE 20 Cb 0.21 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.56 1vig h PHE 20 CO 1.93 0.96 -0.51 0.45 -1.61 0.00 0.00 178.31 179.53 1vig h HIS 21 N 0.50 -1.40 -0.78 -0.55 3.86 -1.96 1.25 115.15 116.07 1vig h HIS 21 Ca 0.07 0.01 0.19 0.00 -1.16 0.00 0.00 60.37 59.47 1vig h HIS 21 Cb 0.77 0.54 -0.05 0.00 1.06 0.00 0.00 27.41 29.73 1vig h HIS 21 CO 0.06 -0.69 0.54 -0.09 0.86 0.00 0.00 177.93 178.61 1vig h ARG 22 N -1.04 0.23 0.05 2.45 9.65 -1.83 0.11 114.38 123.98 1vig h ARG 22 Ca -0.07 -0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 58.72 1vig h ARG 22 Cb 0.89 -0.05 0.01 0.00 -1.39 0.00 0.00 29.97 29.43 1vig h ARG 22 CO -0.04 0.15 -0.33 0.45 2.80 0.00 0.00 179.97 183.00 1vig h HIS 23 N 0.23 0.24 0.87 2.20 3.86 -0.98 -3.39 115.15 118.18 1vig h HIS 23 Ca 0.39 -0.16 -0.04 0.00 -1.16 0.00 0.00 60.37 59.39 1vig h HIS 23 Cb 1.17 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 29.63 1vig h HIS 23 CO -0.00 1.08 -0.42 -0.07 0.86 0.00 0.00 177.93 179.39 1vig h LEU 24 N -0.67 -0.99 -8.03 2.43 3.38 0.25 -3.36 115.31 108.32 1vig h LEU 24 Ca -0.05 0.03 -0.67 0.00 0.09 0.00 0.00 57.88 57.28 1vig h LEU 24 Cb 1.21 0.25 -0.16 0.00 0.09 0.00 0.00 40.66 42.05 1vig h LEU 24 CO 0.06 -0.67 0.91 0.27 0.09 0.00 0.00 178.44 179.10 1vig s ILE 25 N -5.44 4.55 -0.39 1.22 -4.36 0.30 -4.05 121.20 113.02 1vig s ILE 25 Ca -0.17 -1.30 -0.30 0.00 -0.26 0.00 0.00 60.65 58.62 1vig s ILE 25 Cb 0.02 -4.82 -0.09 0.00 1.25 0.00 0.00 42.46 38.82 1vig s ILE 25 CO 0.51 -1.58 2.31 0.61 0.24 0.00 0.00 174.94 177.04 1vig n GLY 26 N 5.71 0.51 5.11 6.27 0.00 -1.26 -4.03 105.19 117.50 1vig n GLY 26 Ca 0.22 0.81 0.00 0.00 0.00 0.00 0.00 46.02 47.05 1vig n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vig n LYS 27 N 8.68 0.00 0.01 1.61 4.76 -1.26 -1.74 118.16 130.22 1vig n LYS 27 Ca 0.38 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.61 1vig n LYS 27 Cb 0.39 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.44 1vig n LYS 27 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1vig h SER 28 N 0.00 0.40 0.00 4.39 0.87 -1.98 -3.51 113.55 113.72 1vig h SER 28 Ca 0.00 -0.87 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 1vig h SER 28 Cb 0.00 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1vig h SER 28 CO 0.00 1.77 0.00 0.61 -0.53 0.00 0.00 176.83 178.68 1vig n GLY 29 N 1.94 3.82 1.01 5.77 0.00 -0.71 -4.97 105.19 112.04 1vig n GLY 29 Ca -0.30 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 2.25 -0.25 4.61 0.00 -1.26 -4.83 120.51 121.02 1vig n ALA 30 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 1vig n ALA 30 Cb 0.00 0.00 0.53 0.00 0.00 0.00 0.00 19.45 19.98 1vig n ALA 30 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1vig h ASN 31 N 0.00 0.38 -0.75 0.00 2.35 -1.95 0.31 115.58 115.92 1vig h ASN 31 Ca 0.00 0.05 0.22 0.00 -0.55 0.00 0.00 56.30 56.01 1vig h ASN 31 Cb 0.00 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1vig h ASN 31 CO 0.00 0.14 0.59 0.16 -1.65 0.00 0.00 177.43 176.67 1vig h ILE 32 N 0.37 0.51 0.21 2.81 3.07 -1.89 0.32 117.51 122.91 1vig h ILE 32 Ca 0.49 0.00 -0.32 0.00 1.55 0.00 0.00 64.86 66.58 1vig h ILE 32 Cb 1.28 0.58 0.03 0.00 -0.27 0.00 0.00 36.82 38.44 1vig h ILE 32 CO -0.18 0.00 -1.41 -1.13 -1.05 0.00 0.00 178.15 174.37 1vig h ASN 33 N 0.00 0.69 -0.80 2.16 -1.24 -0.74 -2.22 115.58 113.43 1vig h ASN 33 Ca 0.36 -0.75 0.14 0.00 0.71 0.00 0.00 56.30 56.75 1vig h ASN 33 Cb 1.53 -0.22 -0.09 0.00 0.73 0.00 0.00 38.32 40.27 1vig h ASN 33 CO -0.00 1.59 0.39 0.03 -1.29 0.00 0.00 177.43 178.14 1vig h ARG 34 N 0.12 0.56 0.02 6.67 2.47 -0.33 -0.22 114.38 123.67 1vig h ARG 34 Ca -0.22 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1vig h ARG 34 Cb 2.10 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 30.30 1vig h ARG 34 CO 0.25 0.37 -0.01 0.82 0.56 0.00 0.00 179.97 181.95 1vig h ILE 35 N 0.57 0.00 -1.84 2.04 5.03 -1.55 -1.46 117.51 120.31 1vig h ILE 35 Ca 0.43 -0.84 0.55 0.00 -0.12 0.00 0.00 64.86 64.89 1vig h ILE 35 Cb 0.59 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 34.29 1vig h ILE 35 CO -0.36 0.00 1.30 0.50 -0.68 0.00 0.00 178.15 178.91 1vig h LYS 36 N -0.87 0.00 0.02 2.37 3.64 -1.31 1.24 116.57 121.65 1vig h LYS 36 Ca -0.00 -0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 1vig h LYS 36 Cb 0.03 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1vig h LYS 36 CO 0.01 0.00 -1.34 0.22 -2.27 0.00 0.00 179.45 176.06 1vig h ASP 37 N 0.00 0.06 0.51 4.20 3.58 -1.14 -2.40 116.42 121.23 1vig h ASP 37 Ca 0.93 -0.57 -0.02 0.00 0.42 0.00 0.00 57.03 57.79 1vig h ASP 37 Cb 3.57 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 44.61 1vig h ASP 37 CO -0.13 1.54 -0.24 -0.61 -2.88 0.00 0.00 179.24 176.92 1vig h GLN 38 N -0.86 -0.66 0.00 0.28 5.75 0.81 -3.11 115.11 117.32 1vig h GLN 38 Ca -0.36 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 1vig h GLN 38 Cb 1.40 0.15 0.00 0.00 1.07 0.00 0.00 27.48 30.10 1vig h GLN 38 CO -0.17 -0.44 0.00 0.66 -2.65 0.00 0.00 178.83 176.23 1vig n TYR 39 N -4.28 0.00 -3.70 3.99 4.02 0.38 -4.90 117.16 112.67 1vig n TYR 39 Ca -0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.58 1vig n TYR 39 Cb 0.27 -0.37 0.04 0.00 -0.02 0.00 0.00 39.34 39.25 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 -1.37 -5.23 -2.71 -0.72 5.02 -1.01 -4.47 118.16 107.66 1vig n LYS 40 Ca 0.08 0.64 -0.08 0.00 -2.02 0.00 0.00 58.31 56.94 1vig n LYS 40 Cb 0.20 -5.30 -0.02 0.00 -0.02 0.00 0.00 35.03 29.90 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 -4.33 0.00 -3.90 -0.18 0.24 -0.94 -4.75 118.33 104.47 1vig n VAL 41 Ca -0.25 -0.70 -0.30 0.00 -2.04 0.00 0.00 64.34 61.05 1vig n VAL 41 Cb 0.65 0.24 -0.14 0.00 -1.47 0.00 0.00 33.84 33.12 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 -1.74 4.31 -0.24 -1.34 0.15 0.69 -4.16 113.70 111.36 1vig s SER 42 Ca 0.05 -2.41 -0.19 0.00 0.70 0.00 0.00 55.95 54.10 1vig s SER 42 Cb 0.00 -1.40 -0.02 0.00 -1.71 0.00 0.00 66.02 62.89 1vig s SER 42 CO 0.04 -0.32 0.58 -0.69 1.20 0.00 0.00 173.24 174.04 1vig s VAL 43 N 0.57 5.03 -0.17 4.45 1.01 -1.26 -2.34 120.40 127.68 1vig s VAL 43 Ca 0.14 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1vig s VAL 43 Cb -0.22 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.29 1vig s VAL 43 CO -0.07 0.07 -0.17 -0.13 0.00 0.00 0.00 175.10 174.80 1vig s ARG 44 N 2.28 3.08 -0.53 2.72 1.81 0.25 -4.95 118.95 123.61 1vig s ARG 44 Ca 0.24 -0.79 -0.12 0.00 -1.72 0.00 0.00 55.73 53.34 1vig s ARG 44 Cb -0.16 -2.62 0.13 0.00 -0.45 0.00 0.00 34.95 31.86 1vig s ARG 44 CO 0.09 -0.14 0.44 0.42 -0.68 0.00 0.00 175.30 175.43 1vig s ILE 45 N 1.16 4.73 -0.41 1.52 -1.09 -1.26 -1.73 121.20 124.13 1vig s ILE 45 Ca 0.01 -1.73 -0.29 0.00 -2.23 0.00 0.00 60.65 56.42 1vig s ILE 45 Cb -0.14 -4.06 0.01 0.00 -1.58 0.00 0.00 42.46 36.69 1vig s ILE 45 CO -0.08 -0.84 1.34 -2.16 -1.23 0.00 0.00 174.94 171.98 1vig s PRO 46 N 1.36 3.66 0.45 2.79 0.04 -1.26 -4.89 135.00 137.15 1vig s PRO 46 Ca 0.05 0.91 0.25 0.00 0.04 0.00 0.00 61.00 62.26 1vig s PRO 46 Cb -0.27 -3.98 0.91 0.00 0.04 0.00 0.00 34.50 31.21 1vig s PRO 46 CO 0.00 -1.46 1.82 -1.00 0.04 0.00 0.00 177.00 176.40 1vig h PRO 47 N 10.19 0.00 -5.29 0.56 0.13 -1.96 -3.40 132.00 132.23 1vig h PRO 47 Ca -0.26 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.60 1vig h PRO 47 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1vig h PRO 47 CO 1.09 0.19 0.87 -0.40 -0.23 0.00 0.00 178.00 179.51 1vig n ASP 48 N -3.32 2.51 -3.86 1.44 5.68 -1.26 -4.84 116.55 112.91 1vig n ASP 48 Ca 0.01 -2.64 -0.18 0.00 -0.50 0.00 0.00 54.79 51.48 1vig n ASP 48 Cb 0.43 -1.67 -0.16 0.00 -1.14 0.00 0.00 41.12 38.58 1vig n ASP 48 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1vig s SER 49 N 6.96 0.58 -0.17 -1.12 0.15 -1.26 -5.00 113.70 113.84 1vig s SER 49 Ca 0.71 -0.06 -0.17 0.00 0.70 0.00 0.00 55.95 57.13 1vig s SER 49 Cb -0.00 -0.28 -0.06 0.00 -1.71 0.00 0.00 66.02 63.97 1vig s SER 49 CO 0.16 -0.07 -0.32 -0.62 1.20 0.00 0.00 173.24 173.59 1vig n GLU 50 N 3.97 0.51 -0.01 5.44 4.71 -1.26 -4.94 120.64 129.06 1vig n GLU 50 Ca -0.25 0.24 -0.01 0.00 -0.01 0.00 0.00 57.16 57.13 1vig n GLU 50 Cb 0.51 -1.44 -0.00 0.00 -1.01 0.00 0.00 31.44 29.50 1vig n GLU 50 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1vig n LYS 51 N -4.43 0.03 -4.03 3.49 4.81 -1.26 -5.06 118.16 111.71 1vig n LYS 51 Ca -0.13 0.01 -0.32 0.00 -0.87 0.00 0.00 58.31 57.01 1vig n LYS 51 Cb 0.48 -0.54 -0.06 0.00 0.02 0.00 0.00 35.03 34.92 1vig n LYS 51 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1vig s SER 52 N -5.12 5.78 0.13 3.14 1.04 -1.26 -4.93 113.70 112.48 1vig s SER 52 Ca -0.02 0.11 0.09 0.00 0.48 0.00 0.00 55.95 56.62 1vig s SER 52 Cb 0.01 -1.65 -0.04 0.00 0.10 0.00 0.00 66.02 64.44 1vig s SER 52 CO 0.02 0.21 -0.16 0.20 0.98 0.00 0.00 173.24 174.49 1vig s ASN 53 N -2.18 3.96 -0.26 7.02 0.01 0.12 -4.77 114.94 118.84 1vig s ASN 53 Ca 0.28 -0.57 -0.01 0.00 -0.71 0.00 0.00 52.86 51.85 1vig s ASN 53 Cb -0.12 -0.58 0.13 0.00 0.41 0.00 0.00 41.25 41.09 1vig s ASN 53 CO 0.20 0.16 0.33 -0.22 -1.51 0.00 0.00 177.10 176.07 1vig s LEU 54 N -2.30 -0.46 0.26 0.60 0.20 -1.26 -0.74 118.68 114.99 1vig s LEU 54 Ca 0.20 -0.32 -0.22 0.00 0.69 0.00 0.00 54.13 54.48 1vig s LEU 54 Cb -0.10 0.80 -0.09 0.00 -0.43 0.00 0.00 46.19 46.37 1vig s LEU 54 CO 0.11 -0.35 0.81 -0.63 -0.29 0.00 0.00 176.35 176.01 1vig s ILE 55 N 2.45 4.43 -0.24 6.68 1.01 -0.95 -4.58 121.20 130.02 1vig s ILE 55 Ca 0.10 1.49 -0.07 0.00 0.00 0.00 0.00 60.65 62.17 1vig s ILE 55 Cb -0.14 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1vig s ILE 55 CO -0.24 0.17 0.06 -0.13 0.00 0.00 0.00 174.94 174.80 1vig s ARG 56 N -2.03 3.69 -0.15 2.79 0.52 -0.70 -2.30 118.95 120.77 1vig s ARG 56 Ca 0.46 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.21 1vig s ARG 56 Cb -0.17 -3.29 0.02 0.00 0.52 0.00 0.00 34.95 32.04 1vig s ARG 56 CO 0.22 -0.11 -0.13 0.42 0.02 0.00 0.00 175.30 175.72 1vig s ILE 57 N 1.39 1.53 -0.01 1.52 -1.09 -0.43 -0.59 121.20 123.52 1vig s ILE 57 Ca 0.05 -0.64 -0.01 0.00 -2.23 0.00 0.00 60.65 57.83 1vig s ILE 57 Cb -0.15 -1.46 0.00 0.00 -1.58 0.00 0.00 42.46 39.27 1vig s ILE 57 CO 0.03 0.43 0.03 -0.70 -1.23 0.00 0.00 174.94 173.50 1vig s GLU 58 N 1.50 0.04 0.00 2.79 2.12 -0.99 0.27 118.70 124.43 1vig s GLU 58 Ca 0.05 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.39 1vig s GLU 58 Cb -0.13 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.28 1vig s GLU 58 CO -0.10 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 1vig n GLY 59 N 3.01 2.83 1.79 -1.50 0.00 0.04 -0.22 105.19 111.14 1vig n GLY 59 Ca -0.13 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.53 -2.69 1.61 8.00 -1.26 -2.40 116.55 118.28 1vig n ASP 60 Ca 0.00 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1vig n ASP 60 Cb 0.00 1.70 0.00 0.00 -0.02 0.00 0.00 41.12 42.80 1vig n ASP 60 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1vig n PRO 61 N -2.78 -0.18 0.26 -0.24 -0.04 -1.26 -3.83 135.00 126.92 1vig n PRO 61 Ca 0.00 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.63 1vig n PRO 61 Cb 0.00 0.00 0.92 0.00 -0.04 0.00 0.00 33.50 34.38 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 -0.53 0.54 4.20 -2.00 -2.74 115.11 114.57 1vig h GLN 62 Ca 0.00 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.78 1vig h GLN 62 Cb 0.00 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 1vig h GLN 62 CO 0.00 0.00 0.22 0.78 -0.67 0.00 0.00 178.83 179.16 1vig h GLY 63 N 0.10 0.73 0.90 3.46 0.00 -1.89 0.40 103.07 106.78 1vig h GLY 63 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1vig h GLY 63 CO 0.00 0.04 0.09 -0.24 0.00 0.00 0.00 176.54 176.43 1vig h VAL 64 N 0.42 1.17 -0.27 4.60 3.04 -1.71 0.25 116.25 123.76 1vig h VAL 64 Ca 0.25 -0.51 -0.11 0.00 -1.01 0.00 0.00 66.70 65.33 1vig h VAL 64 Cb 0.25 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 1vig h VAL 64 CO -0.23 0.17 -0.28 0.06 -1.01 0.00 0.00 177.57 176.28 1vig h GLN 65 N 0.23 0.53 0.17 4.17 3.07 -1.63 0.15 115.11 121.81 1vig h GLN 65 Ca 0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 58.65 58.59 1vig h GLN 65 Cb 0.18 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.72 1vig h GLN 65 CO -0.01 0.76 -0.08 1.96 0.09 0.00 0.00 178.83 181.55 1vig h GLN 66 N 0.47 -0.22 -0.50 0.06 4.20 0.02 -2.51 115.11 116.62 1vig h GLN 66 Ca 0.06 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1vig h GLN 66 Cb 0.73 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 1vig h GLN 66 CO 0.06 0.17 0.26 0.00 -0.67 0.00 0.00 178.83 178.65 1vig h ALA 67 N -0.02 1.52 0.57 3.87 0.00 -0.49 0.58 119.26 125.28 1vig h ALA 67 Ca -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1vig h ALA 67 Cb 0.50 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1vig h ALA 67 CO 0.04 0.39 -0.33 -0.22 0.00 0.00 0.00 179.25 179.14 1vig h LYS 68 N 0.69 -0.80 -0.04 0.00 3.11 -0.93 0.78 116.57 119.38 1vig h LYS 68 Ca 0.18 0.05 0.01 0.00 -2.81 0.00 0.00 60.65 58.08 1vig h LYS 68 Cb 0.04 0.18 -0.00 0.00 -1.00 0.00 0.00 32.23 31.45 1vig h LYS 68 CO -0.03 -0.53 0.03 0.00 -2.81 0.00 0.00 179.45 176.11 1vig h ARG 69 N -0.83 0.00 -0.49 1.90 3.08 -1.34 -1.57 114.38 115.14 1vig h ARG 69 Ca -0.08 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1vig h ARG 69 Cb 0.66 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1vig h ARG 69 CO 0.09 0.00 0.16 1.49 -1.07 0.00 0.00 179.97 180.64 1vig h GLU 70 N 0.00 0.75 -0.14 0.04 4.57 -0.45 -2.42 114.58 116.92 1vig h GLU 70 Ca 0.02 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1vig h GLU 70 Cb 0.07 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1vig h GLU 70 CO -0.00 0.70 0.07 -0.07 -1.18 0.00 0.00 179.01 178.53 1vig h LEU 71 N 0.65 0.18 -2.45 1.64 3.38 0.15 0.40 115.31 119.27 1vig h LEU 71 Ca 0.16 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1vig h LEU 71 Cb 0.25 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1vig h LEU 71 CO -0.01 0.25 0.14 0.25 0.09 0.00 0.00 178.44 179.16 1vig h LEU 72 N 0.11 0.00 0.00 1.67 5.85 -1.33 0.27 115.31 121.88 1vig h LEU 72 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1vig h LEU 72 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1vig h LEU 72 CO -0.01 0.00 0.00 -0.62 -0.34 0.00 0.00 178.44 177.47 1vig n GLU 73 N -3.41 0.00 -0.17 1.25 -0.58 -0.74 -4.75 120.64 112.24 1vig n GLU 73 Ca -0.01 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.67 1vig n GLU 73 Cb 0.23 -0.01 0.11 0.00 -0.57 0.00 0.00 31.44 31.21 1vig n GLU 73 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1vig h LEU 74 N 0.00 0.91 2.78 -4.62 3.38 -0.35 -3.46 115.31 113.94 1vig h LEU 74 Ca 0.00 -0.21 -0.39 0.00 0.09 0.00 0.00 57.88 57.37 1vig h LEU 74 Cb 0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1vig h LEU 74 CO 0.00 0.92 -0.49 0.00 0.09 0.00 0.00 178.44 178.95 1vig n ALA 75 N -2.47 -0.62 0.73 1.53 0.00 0.95 -4.99 120.51 115.65 1vig n ALA 75 Ca 0.04 0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.74 1vig n ALA 75 Cb 0.28 -2.09 0.07 0.00 0.00 0.00 0.00 19.45 17.71 1vig n ALA 75 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37