#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wzv h SER 3 N 0.00 0.54 -0.22 0.00 0.02 -1.90 -1.48 113.55 110.51 1wzv h SER 3 Ca 0.00 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.72 1wzv h SER 3 Cb 0.00 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1wzv h SER 3 CO 0.00 0.77 -0.08 0.24 -1.14 0.00 0.00 176.83 176.62 1wzv h MET 4 N 0.48 0.44 -0.55 3.45 0.00 -1.99 -2.22 114.93 114.53 1wzv h MET 4 Ca 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 59.70 59.57 1wzv h MET 4 Cb 0.65 -0.02 -0.02 0.00 0.00 0.00 0.00 31.60 32.21 1wzv h MET 4 CO 0.05 0.70 0.25 -0.09 0.00 0.00 0.00 176.91 177.82 1wzv h ARG 5 N 0.15 0.80 -0.36 1.72 2.43 -1.93 -3.00 114.38 114.18 1wzv h ARG 5 Ca 0.05 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1wzv h ARG 5 Cb 0.55 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1wzv h ARG 5 CO 0.03 0.66 -0.02 0.28 -1.51 0.00 0.00 179.97 179.41 1wzv h VAL 6 N 0.74 1.26 -0.66 0.20 2.07 -1.24 -1.13 116.25 117.49 1wzv h VAL 6 Ca 0.19 -1.02 0.06 0.00 0.82 0.00 0.00 66.70 66.75 1wzv h VAL 6 Cb 0.14 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 1wzv h VAL 6 CO -0.02 0.34 0.36 0.58 0.02 0.00 0.00 177.57 178.84 1wzv h VAL 7 N 0.45 0.94 -0.73 2.57 2.07 -1.46 0.31 116.25 120.40 1wzv h VAL 7 Ca 0.10 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1wzv h VAL 7 Cb 0.49 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1wzv h VAL 7 CO 0.02 0.12 0.26 0.11 0.02 0.00 0.00 177.57 178.10 1wzv h LYS 8 N 0.65 1.11 -0.31 1.57 1.57 -1.33 -1.04 116.57 118.79 1wzv h LYS 8 Ca 0.30 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1wzv h LYS 8 Cb 0.21 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1wzv h LYS 8 CO -0.20 0.93 0.08 0.93 -0.57 0.00 0.00 179.45 180.62 1wzv h GLU 9 N 1.06 0.49 -0.20 3.15 5.08 -0.56 -2.09 114.58 121.51 1wzv h GLU 9 Ca 0.24 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1wzv h GLU 9 Cb 0.26 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1wzv h GLU 9 CO -0.01 0.56 -0.09 1.25 -1.00 0.00 0.00 179.01 179.72 1wzv h LEU 10 N 0.34 -0.30 -0.57 1.33 5.85 -0.19 -1.50 115.31 120.26 1wzv h LEU 10 Ca 0.10 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.95 1wzv h LEU 10 Cb 0.29 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 1wzv h LEU 10 CO 0.00 -0.12 0.28 -0.08 -0.34 0.00 0.00 178.44 178.19 1wzv h GLU 11 N -0.06 0.52 -0.67 1.25 4.81 -1.12 -0.07 114.58 119.23 1wzv h GLU 11 Ca 0.11 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1wzv h GLU 11 Cb 0.22 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1wzv h GLU 11 CO -0.25 0.34 0.22 -0.44 -0.73 0.00 0.00 179.01 178.16 1wzv h ASP 12 N 0.54 0.97 -0.09 1.04 3.32 -1.06 -0.95 116.42 120.19 1wzv h ASP 12 Ca 0.26 -0.20 -0.15 0.00 0.02 0.00 0.00 57.03 56.96 1wzv h ASP 12 Cb 0.19 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1wzv h ASP 12 CO -0.19 0.92 -0.45 -0.07 -1.72 0.00 0.00 179.24 177.73 1wzv h LEU 13 N 0.98 0.68 -1.04 1.55 3.38 -0.90 -1.93 115.31 118.03 1wzv h LEU 13 Ca 0.22 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1wzv h LEU 13 Cb 0.28 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1wzv h LEU 13 CO -0.01 1.03 -0.27 1.56 0.09 0.00 0.00 178.44 180.84 1wzv h GLN 14 N 0.51 0.00 0.09 1.13 4.20 -0.86 -0.38 115.11 119.80 1wzv h GLN 14 Ca 0.03 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.45 1wzv h GLN 14 Cb 0.98 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.79 1wzv h GLN 14 CO 0.09 0.27 -1.20 0.87 -0.67 0.00 0.00 178.83 178.20 1wzv h LYS 15 N 0.00 0.64 -2.19 1.46 1.57 -0.96 -3.40 116.57 113.69 1wzv h LYS 15 Ca -0.00 -0.81 -0.58 0.00 -1.87 0.00 0.00 60.65 57.39 1wzv h LYS 15 Cb 0.80 0.26 -0.40 0.00 0.08 0.00 0.00 32.23 32.97 1wzv h LYS 15 CO 0.04 1.36 -0.92 1.63 -0.57 0.00 0.00 179.45 180.99 1wzv n LYS 16 N -3.80 1.17 -2.49 3.15 4.01 -0.74 -5.10 118.16 114.36 1wzv n LYS 16 Ca -0.13 -3.68 -0.34 0.00 -0.51 0.00 0.00 58.31 53.65 1wzv n LYS 16 Cb 0.96 -1.63 -0.03 0.00 -0.51 0.00 0.00 35.03 33.82 1wzv n LYS 16 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1wzv s PRO 17 N -1.33 3.71 0.58 1.97 0.04 -0.16 -4.74 135.00 135.07 1wzv s PRO 17 Ca 0.35 1.42 -0.16 0.00 0.04 0.00 0.00 61.00 62.64 1wzv s PRO 17 Cb 0.13 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1wzv s PRO 17 CO -0.10 -0.52 1.05 -1.25 0.04 0.00 0.00 177.00 176.22 1wzv s PRO 18 N -3.24 3.41 0.57 0.56 0.04 -1.26 -4.93 135.00 130.15 1wzv s PRO 18 Ca 0.68 1.21 0.28 0.00 0.04 0.00 0.00 61.00 63.22 1wzv s PRO 18 Cb -0.18 -2.05 1.69 0.00 0.04 0.00 0.00 34.50 34.01 1wzv s PRO 18 CO 0.21 -0.73 2.20 -1.00 0.04 0.00 0.00 177.00 177.72 1wzv h PRO 19 N 0.61 0.00 -0.02 0.56 0.13 -2.00 -1.50 132.00 129.78 1wzv h PRO 19 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wzv h PRO 19 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wzv h PRO 19 CO 0.58 0.03 0.00 2.48 -0.23 0.00 0.00 178.00 180.86 1wzv n TYR 20 N -3.84 0.02 -4.02 1.56 0.18 -1.26 -4.74 117.16 105.06 1wzv n TYR 20 Ca -0.03 -0.01 -0.30 0.00 1.88 0.00 0.00 57.90 59.44 1wzv n TYR 20 Cb 0.12 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 38.92 1wzv n TYR 20 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 1wzv s LEU 21 N -1.84 1.80 0.19 -3.48 2.96 -0.56 -0.34 118.68 117.41 1wzv s LEU 21 Ca 0.39 -0.56 0.10 0.00 -0.22 0.00 0.00 54.13 53.85 1wzv s LEU 21 Cb 0.19 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 1wzv s LEU 21 CO 0.31 -0.07 -0.21 -0.13 -1.32 0.00 0.00 176.35 174.93 1wzv s ARG 22 N 1.46 1.44 -1.46 1.98 1.81 -0.10 -4.61 118.95 119.47 1wzv s ARG 22 Ca 0.04 -1.51 -0.08 0.00 -1.72 0.00 0.00 55.73 52.46 1wzv s ARG 22 Cb -0.13 -1.62 0.04 0.00 -0.45 0.00 0.00 34.95 32.78 1wzv s ARG 22 CO -0.11 0.34 0.74 0.09 -0.68 0.00 0.00 175.30 175.68 1wzv n ASN 23 N 0.16 -5.38 -4.66 0.23 3.02 -1.26 -0.34 115.26 107.03 1wzv n ASN 23 Ca -0.12 -0.44 -0.42 0.00 -0.03 0.00 0.00 54.58 53.57 1wzv n ASN 23 Cb 0.57 -4.34 -0.03 0.00 -0.61 0.00 0.00 39.78 35.38 1wzv n ASN 23 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1wzv s LEU 24 N -6.85 4.40 0.06 3.41 2.96 -1.26 -4.37 118.68 117.02 1wzv s LEU 24 Ca 0.44 2.53 -0.09 0.00 -0.22 0.00 0.00 54.13 56.79 1wzv s LEU 24 Cb -0.21 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1wzv s LEU 24 CO 0.54 -1.02 0.19 -0.94 -1.32 0.00 0.00 176.35 173.80 1wzv s SER 25 N 4.10 0.09 -0.09 3.68 1.04 -0.09 -4.97 113.70 117.45 1wzv s SER 25 Ca 0.84 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 56.79 1wzv s SER 25 Cb -0.40 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 1wzv s SER 25 CO 0.38 -0.63 -0.22 -0.55 0.98 0.00 0.00 173.24 173.20 1wzv s SER 26 N -2.45 3.31 0.34 7.02 0.15 -1.26 -0.45 113.70 120.35 1wzv s SER 26 Ca -0.00 -0.48 -0.08 0.00 0.70 0.00 0.00 55.95 56.08 1wzv s SER 26 Cb 0.02 -1.26 -0.07 0.00 -1.71 0.00 0.00 66.02 63.00 1wzv s SER 26 CO -0.07 0.19 -0.21 -0.67 1.20 0.00 0.00 173.24 173.68 1wzv n ASP 27 N 3.30 -2.20 0.02 5.45 2.03 -0.73 -4.90 116.55 119.53 1wzv n ASP 27 Ca -0.18 0.19 -0.02 0.00 0.52 0.00 0.00 54.79 55.30 1wzv n ASP 27 Cb 0.53 -0.37 -0.01 0.00 -0.72 0.00 0.00 41.12 40.55 1wzv n ASP 27 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1wzv h ASP 28 N -0.22 -0.13 -2.27 1.67 3.32 -1.99 -3.27 116.42 113.53 1wzv h ASP 28 Ca -0.19 0.01 -0.59 0.00 0.02 0.00 0.00 57.03 56.28 1wzv h ASP 28 Cb 0.63 0.04 -0.42 0.00 0.22 0.00 0.00 39.33 39.80 1wzv h ASP 28 CO 0.15 -0.06 -0.66 0.00 -1.72 0.00 0.00 179.24 176.95 1wzv n ALA 29 N -2.35 4.51 -3.26 3.45 0.00 -1.26 -4.90 120.51 116.70 1wzv n ALA 29 Ca -0.01 -4.65 -0.05 0.00 0.00 0.00 0.00 53.44 48.73 1wzv n ALA 29 Cb 0.04 -0.75 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 1wzv n ALA 29 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wzv s ASN 30 N -3.35 -0.40 0.00 0.00 2.47 -1.23 -5.02 114.94 107.41 1wzv s ASN 30 Ca 0.48 -0.66 0.14 0.00 0.42 0.00 0.00 52.86 53.24 1wzv s ASN 30 Cb 0.27 1.42 0.66 0.00 -1.45 0.00 0.00 41.25 42.15 1wzv s ASN 30 CO -0.13 -0.27 1.44 1.33 -3.72 0.00 0.00 177.10 175.76 1wzv n VAL 31 N 4.84 0.86 0.17 -5.21 0.24 -1.26 -2.60 118.33 115.37 1wzv n VAL 31 Ca 0.07 0.22 0.08 0.00 -2.04 0.00 0.00 64.34 62.66 1wzv n VAL 31 Cb 0.52 -0.97 0.24 0.00 -1.47 0.00 0.00 33.84 32.16 1wzv n VAL 31 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1wzv n LEU 32 N -1.43 3.19 -3.86 1.34 4.77 -1.26 -4.73 117.00 115.02 1wzv n LEU 32 Ca 0.05 -1.60 -0.23 0.00 -0.03 0.00 0.00 56.01 54.19 1wzv n LEU 32 Cb 0.15 -0.42 -0.17 0.00 -2.33 0.00 0.00 43.42 40.65 1wzv n LEU 32 CO 0.13 0.65 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.74 1wzv s VAL 33 N -1.54 0.65 0.16 4.08 1.01 -1.07 -1.04 120.40 122.65 1wzv s VAL 33 Ca 0.36 -0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.32 1wzv s VAL 33 Cb 0.21 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1wzv s VAL 33 CO 0.21 0.29 0.00 0.26 0.00 0.00 0.00 175.10 175.86 1wzv s TRP 34 N 1.55 2.87 0.13 5.22 0.51 0.49 -1.78 118.94 127.93 1wzv s TRP 34 Ca -0.00 -0.12 0.08 0.00 -2.12 0.00 0.00 56.10 53.94 1wzv s TRP 34 Cb -0.13 -1.40 -0.04 0.00 -0.81 0.00 0.00 33.47 31.09 1wzv s TRP 34 CO -0.04 0.51 -0.19 -1.01 -0.51 0.00 0.00 176.95 175.71 1wzv s HIS 35 N -1.67 1.77 -0.05 -1.98 3.76 0.40 -0.60 115.29 116.92 1wzv s HIS 35 Ca 0.27 -0.45 -0.30 0.00 -0.15 0.00 0.00 55.06 54.44 1wzv s HIS 35 Cb -0.10 -0.93 0.09 0.00 1.11 0.00 0.00 32.58 32.75 1wzv s HIS 35 CO 0.19 0.25 0.76 0.00 -0.85 0.00 0.00 174.74 175.09 1wzv s ALA 36 N -1.59 -1.80 -0.15 -1.40 0.00 -1.05 -0.92 121.76 114.85 1wzv s ALA 36 Ca 0.10 1.28 -0.15 0.00 0.00 0.00 0.00 51.96 53.20 1wzv s ALA 36 Cb -0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 1wzv s ALA 36 CO 0.05 -0.41 0.33 -0.51 0.00 0.00 0.00 175.76 175.22 1wzv s LEU 37 N -1.41 4.25 -0.09 0.00 1.43 0.54 -0.28 118.68 123.12 1wzv s LEU 37 Ca -0.06 0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 53.46 1wzv s LEU 37 Cb -0.00 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 1wzv s LEU 37 CO 0.04 0.08 0.38 -0.22 0.23 0.00 0.00 176.35 176.86 1wzv s LEU 38 N 0.49 4.33 -0.61 1.79 2.96 0.87 -0.92 118.68 127.59 1wzv s LEU 38 Ca 0.19 0.75 0.00 0.00 -0.22 0.00 0.00 54.13 54.85 1wzv s LEU 38 Cb -0.13 -2.52 0.15 0.00 0.50 0.00 0.00 46.19 44.18 1wzv s LEU 38 CO 0.05 0.16 0.40 -0.76 -1.32 0.00 0.00 176.35 174.88 1wzv s LEU 39 N -0.05 4.86 0.62 -0.68 1.02 0.53 -1.63 118.68 123.35 1wzv s LEU 39 Ca 0.22 -3.05 -0.17 0.00 0.02 0.00 0.00 54.13 51.14 1wzv s LEU 39 Cb -0.15 -1.76 -0.02 0.00 0.02 0.00 0.00 46.19 44.28 1wzv s LEU 39 CO 0.09 -0.28 1.13 -2.84 0.02 0.00 0.00 176.35 174.47 1wzv s PRO 40 N -0.35 2.97 -0.04 1.29 0.02 -1.26 -4.66 135.00 132.97 1wzv s PRO 40 Ca 0.18 1.53 0.19 0.00 0.02 0.00 0.00 61.00 62.93 1wzv s PRO 40 Cb -0.21 -1.96 -0.30 0.00 0.02 0.00 0.00 34.50 32.06 1wzv s PRO 40 CO -0.03 -1.14 0.40 -0.25 -0.33 0.00 0.00 177.00 175.64 1wzv n ASP 41 N -1.97 0.59 -4.65 2.53 8.00 -1.26 -3.52 116.55 116.28 1wzv n ASP 41 Ca 0.11 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.19 1wzv n ASP 41 Cb 0.51 1.83 -0.03 0.00 -0.02 0.00 0.00 41.12 43.41 1wzv n ASP 41 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1wzv s GLN 42 N -3.29 4.01 0.45 -1.24 2.00 -1.26 -4.52 119.66 115.81 1wzv s GLN 42 Ca -0.07 2.02 -0.25 0.00 -2.00 0.00 0.00 55.36 55.06 1wzv s GLN 42 Cb 0.12 -4.02 -0.08 0.00 0.80 0.00 0.00 33.01 29.83 1wzv s GLN 42 CO 0.80 -1.05 1.34 -2.14 -0.50 0.00 0.00 175.29 173.74 1wzv s PRO 43 N 4.35 3.72 0.00 1.67 0.02 -1.26 -0.37 135.00 143.14 1wzv s PRO 43 Ca 0.74 2.21 0.17 0.00 0.02 0.00 0.00 61.00 64.14 1wzv s PRO 43 Cb -0.31 -2.61 0.62 0.00 0.02 0.00 0.00 34.50 32.22 1wzv s PRO 43 CO 0.30 -0.72 1.45 -0.35 -0.33 0.00 0.00 177.00 177.35 1wzv n PRO 44 N -0.23 1.67 0.27 5.54 -0.04 -1.26 -4.91 135.00 136.05 1wzv n PRO 44 Ca 0.06 -1.02 0.18 0.00 -0.04 0.00 0.00 63.50 62.67 1wzv n PRO 44 Cb 0.44 -1.33 0.87 0.00 -0.04 0.00 0.00 33.50 33.43 1wzv n PRO 44 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1wzv h TYR 45 N 1.91 0.00 0.00 0.54 0.05 -1.05 -2.31 116.97 116.12 1wzv h TYR 45 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1wzv h TYR 45 Cb 0.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.17 1wzv h TYR 45 CO 0.13 0.00 0.00 1.12 -1.05 0.00 0.00 178.16 178.36 1wzv h HIS 46 N 0.00 0.00 0.00 4.88 2.07 -1.57 -3.05 115.15 117.48 1wzv h HIS 46 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 1wzv h HIS 46 Cb 0.24 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.22 1wzv h HIS 46 CO 0.00 0.00 -0.13 -0.07 -3.07 0.00 0.00 177.93 174.66 1wzv h LEU 47 N 0.00 0.00 -8.85 6.12 3.38 -1.71 -3.47 115.31 110.78 1wzv h LEU 47 Ca 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 1wzv h LEU 47 Cb 0.32 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.94 1wzv h LEU 47 CO 0.00 0.13 -0.50 -0.54 0.09 0.00 0.00 178.44 177.62 1wzv s LYS 48 N -3.60 1.68 0.33 1.13 -0.14 -1.15 -4.50 119.74 113.49 1wzv s LYS 48 Ca 0.01 -1.96 0.09 0.00 -1.36 0.00 0.00 55.97 52.76 1wzv s LYS 48 Cb 0.09 0.32 -0.05 0.00 -1.68 0.00 0.00 37.83 36.51 1wzv s LYS 48 CO 0.61 -0.62 -0.02 0.00 -0.76 0.00 0.00 175.35 174.56 1wzv s ALA 49 N -3.54 3.12 -0.05 5.17 0.00 -0.09 -4.48 121.76 121.91 1wzv s ALA 49 Ca 0.40 -1.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.39 1wzv s ALA 49 Cb 0.03 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.84 1wzv s ALA 49 CO 0.25 0.10 0.04 -0.06 0.00 0.00 0.00 175.76 176.09 1wzv s PHE 50 N -2.52 0.24 0.20 0.00 0.08 -0.65 -0.88 117.98 114.45 1wzv s PHE 50 Ca 0.34 0.12 -0.30 0.00 0.12 0.00 0.00 56.93 57.21 1wzv s PHE 50 Cb -0.00 -0.54 -0.08 0.00 -0.57 0.00 0.00 43.02 41.82 1wzv s PHE 50 CO 0.19 -0.21 1.18 1.21 -0.10 0.00 0.00 175.22 177.48 1wzv s ASN 51 N 1.95 7.12 0.11 1.36 3.04 -1.26 -0.09 114.94 127.16 1wzv s ASN 51 Ca 0.03 2.23 0.09 0.00 0.04 0.00 0.00 52.86 55.25 1wzv s ASN 51 Cb -0.12 -2.61 -0.04 0.00 -1.54 0.00 0.00 41.25 36.94 1wzv s ASN 51 CO -0.03 -0.33 -0.20 -0.76 -3.04 0.00 0.00 177.10 172.73 1wzv s LEU 52 N -0.40 2.62 -0.18 3.21 1.43 0.62 -1.00 118.68 124.97 1wzv s LEU 52 Ca 0.51 -0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1wzv s LEU 52 Cb -0.32 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 1wzv s LEU 52 CO 0.37 0.19 -0.12 -0.60 0.23 0.00 0.00 176.35 176.42 1wzv s ARG 53 N -2.03 3.24 -0.23 1.70 3.52 0.76 -2.54 118.95 123.37 1wzv s ARG 53 Ca 0.17 -0.72 -0.05 0.00 -0.13 0.00 0.00 55.73 55.00 1wzv s ARG 53 Cb -0.10 -2.75 -0.02 0.00 -1.56 0.00 0.00 34.95 30.52 1wzv s ARG 53 CO 0.09 -0.08 0.01 0.42 -0.81 0.00 0.00 175.30 174.92 1wzv s ILE 54 N 1.09 3.85 -0.11 4.11 1.09 0.23 -1.46 121.20 130.02 1wzv s ILE 54 Ca 0.00 -0.33 0.02 0.00 -1.10 0.00 0.00 60.65 59.24 1wzv s ILE 54 Cb -0.14 -2.77 -0.01 0.00 -1.06 0.00 0.00 42.46 38.47 1wzv s ILE 54 CO -0.03 0.39 -0.17 -0.44 -0.10 0.00 0.00 174.94 174.59 1wzv s SER 55 N 1.44 3.72 -0.19 3.58 0.01 0.71 -0.38 113.70 122.59 1wzv s SER 55 Ca 0.05 -0.38 -0.07 0.00 1.31 0.00 0.00 55.95 56.86 1wzv s SER 55 Cb -0.15 -1.39 -0.04 0.00 0.21 0.00 0.00 66.02 64.65 1wzv s SER 55 CO 0.00 0.20 0.05 -0.36 0.41 0.00 0.00 173.24 173.54 1wzv s PHE 56 N 0.16 3.19 0.61 2.43 0.08 -0.21 -0.05 117.98 124.19 1wzv s PHE 56 Ca -0.09 -0.05 -0.16 0.00 0.12 0.00 0.00 56.93 56.74 1wzv s PHE 56 Cb -0.15 -2.09 -0.02 0.00 -0.57 0.00 0.00 43.02 40.18 1wzv s PHE 56 CO 0.06 0.05 1.09 -1.25 -0.10 0.00 0.00 175.22 175.06 1wzv s PRO 57 N 0.57 3.11 0.57 0.24 0.04 -1.26 -4.88 135.00 133.38 1wzv s PRO 57 Ca 0.02 1.35 0.27 0.00 0.04 0.00 0.00 61.00 62.68 1wzv s PRO 57 Cb -0.13 -1.99 1.52 0.00 0.04 0.00 0.00 34.50 33.93 1wzv s PRO 57 CO 0.01 -1.00 2.04 -1.35 0.04 0.00 0.00 177.00 176.74 1wzv h PRO 58 N 0.41 0.00 0.00 0.56 0.11 -1.99 -0.42 132.00 130.67 1wzv h PRO 58 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1wzv h PRO 58 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1wzv h PRO 58 CO 0.56 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.74 1wzv n GLU 59 N -4.03 0.02 -1.62 1.05 4.71 -1.26 -4.56 120.64 114.95 1wzv n GLU 59 Ca 0.05 0.08 -0.44 0.00 -0.01 0.00 0.00 57.16 56.83 1wzv n GLU 59 Cb 0.45 -1.53 -0.02 0.00 -1.01 0.00 0.00 31.44 29.33 1wzv n GLU 59 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 1wzv n TYR 60 N -1.57 1.61 0.72 -0.32 9.36 -0.17 -0.93 117.16 125.86 1wzv n TYR 60 Ca 0.06 0.64 0.03 0.00 3.32 0.00 0.00 57.90 61.95 1wzv n TYR 60 Cb 0.31 -2.31 0.13 0.00 -0.63 0.00 0.00 39.34 36.83 1wzv n TYR 60 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1wzv n PRO 61 N 0.87 2.02 0.00 2.98 -0.04 -1.26 -3.65 135.00 135.92 1wzv n PRO 61 Ca 0.09 -1.03 0.13 0.00 -0.04 0.00 0.00 63.50 62.64 1wzv n PRO 61 Cb 0.32 -1.51 0.32 0.00 -0.04 0.00 0.00 33.50 32.59 1wzv n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1wzv n PHE 62 N 0.24 0.00 -4.08 0.54 3.72 -0.11 -3.82 117.46 113.95 1wzv n PHE 62 Ca 0.09 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.36 1wzv n PHE 62 Cb 0.42 -0.09 -0.13 0.00 -0.94 0.00 0.00 39.48 38.74 1wzv n PHE 62 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1wzv s LYS 63 N -2.46 0.44 0.64 -1.08 1.02 -1.24 -4.94 119.74 112.11 1wzv s LYS 63 Ca 0.24 -0.49 -0.17 0.00 0.02 0.00 0.00 55.97 55.58 1wzv s LYS 63 Cb 0.19 -0.29 -0.01 0.00 -0.52 0.00 0.00 37.83 37.20 1wzv s LYS 63 CO 0.52 0.06 1.14 -1.25 -0.92 0.00 0.00 175.35 174.91 1wzv s PRO 64 N -0.93 2.84 0.92 -1.68 0.04 -1.26 -4.16 135.00 130.77 1wzv s PRO 64 Ca -0.05 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 1wzv s PRO 64 Cb -0.06 -1.94 0.15 0.00 0.04 0.00 0.00 34.50 32.68 1wzv s PRO 64 CO 0.00 -1.25 1.10 -1.25 0.04 0.00 0.00 177.00 175.64 1wzv s PRO 65 N -3.77 1.00 -0.08 0.56 0.04 -1.26 -4.46 135.00 127.02 1wzv s PRO 65 Ca 0.71 1.14 0.02 0.00 0.04 0.00 0.00 61.00 62.90 1wzv s PRO 65 Cb -0.24 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1wzv s PRO 65 CO 0.38 -2.51 -0.12 -1.64 0.04 0.00 0.00 177.00 173.14 1wzv s MET 66 N -4.75 2.87 -0.08 4.56 -1.94 0.92 -4.97 119.30 115.91 1wzv s MET 66 Ca 0.65 -0.66 0.03 0.00 -1.71 0.00 0.00 55.69 53.99 1wzv s MET 66 Cb -0.21 -2.51 0.01 0.00 2.01 0.00 0.00 34.83 34.13 1wzv s MET 66 CO 0.58 0.48 -0.16 0.42 -0.01 0.00 0.00 175.02 176.34 1wzv s ILE 67 N -0.35 1.43 0.07 2.53 1.01 -1.26 -0.21 121.20 124.42 1wzv s ILE 67 Ca 0.04 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1wzv s ILE 67 Cb -0.12 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 1wzv s ILE 67 CO 0.02 0.42 -0.08 -1.59 0.00 0.00 0.00 174.94 173.72 1wzv s LYS 68 N 0.60 0.68 0.25 2.79 -2.85 -0.53 -4.52 119.74 116.17 1wzv s LYS 68 Ca -0.15 -1.01 -0.30 0.00 -1.00 0.00 0.00 55.97 53.51 1wzv s LYS 68 Cb -0.16 -0.31 -0.09 0.00 -2.06 0.00 0.00 37.83 35.20 1wzv s LYS 68 CO 0.05 0.04 1.04 -0.06 0.10 0.00 0.00 175.35 176.52 1wzv s PHE 69 N -2.28 3.72 -0.03 1.78 0.08 -0.03 -0.17 117.98 121.06 1wzv s PHE 69 Ca -0.00 1.77 0.14 0.00 0.12 0.00 0.00 56.93 58.95 1wzv s PHE 69 Cb -0.04 -3.18 -0.21 0.00 -0.57 0.00 0.00 43.02 39.02 1wzv s PHE 69 CO -0.01 -0.20 0.30 0.25 -0.10 0.00 0.00 175.22 175.46 1wzv n THR 70 N 1.45 0.00 -2.94 0.64 -2.24 -0.17 -4.17 114.28 106.85 1wzv n THR 70 Ca -0.01 -0.31 -0.40 0.00 -2.27 0.00 0.00 64.05 61.06 1wzv n THR 70 Cb 0.46 0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.84 1wzv n THR 70 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1wzv s THR 71 N -2.94 4.82 0.31 4.28 2.01 -1.16 -4.97 115.64 117.99 1wzv s THR 71 Ca -0.05 1.67 -0.29 0.00 0.31 0.00 0.00 61.69 63.34 1wzv s THR 71 Cb 0.09 -4.14 -0.10 0.00 0.01 0.00 0.00 72.50 68.35 1wzv s THR 71 CO 0.57 0.30 1.38 -0.54 -0.69 0.00 0.00 174.62 175.64 1wzv s LYS 72 N 0.33 4.28 0.05 4.92 1.02 -1.26 -4.84 119.74 124.24 1wzv s LYS 72 Ca 0.41 2.31 0.01 0.00 0.02 0.00 0.00 55.97 58.72 1wzv s LYS 72 Cb -0.20 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 34.01 1wzv s LYS 72 CO 0.23 -0.32 -0.06 -1.50 -0.92 0.00 0.00 175.35 172.78 1wzv s ILE 73 N -0.75 0.44 -0.42 2.17 2.07 -1.26 -4.59 121.20 118.85 1wzv s ILE 73 Ca 0.53 -1.35 -0.05 0.00 -1.41 0.00 0.00 60.65 58.37 1wzv s ILE 73 Cb -0.42 -0.92 0.11 0.00 0.13 0.00 0.00 42.46 41.37 1wzv s ILE 73 CO 0.51 -0.61 0.24 -0.47 -1.91 0.00 0.00 174.94 172.70 1wzv s TYR 74 N -2.29 3.54 -0.24 3.50 5.04 -1.26 -4.91 117.35 120.73 1wzv s TYR 74 Ca -0.04 -2.26 -0.18 0.00 -2.44 0.00 0.00 57.07 52.16 1wzv s TYR 74 Cb -0.04 -3.29 0.07 0.00 0.35 0.00 0.00 41.96 39.05 1wzv s TYR 74 CO -0.03 -0.98 0.61 -1.58 -1.34 0.00 0.00 175.55 172.24 1wzv s HIS 75 N 1.20 -0.81 0.63 4.97 2.46 -1.26 -4.84 115.29 117.64 1wzv s HIS 75 Ca 0.07 1.78 0.42 0.00 0.47 0.00 0.00 55.06 57.81 1wzv s HIS 75 Cb -0.24 0.38 2.31 0.00 -0.13 0.00 0.00 32.58 34.90 1wzv s HIS 75 CO -0.03 -0.40 2.34 -1.00 -2.47 0.00 0.00 174.74 173.18 1wzv h PRO 76 N 6.13 0.00 -0.35 2.88 0.13 -1.88 -2.81 132.00 136.09 1wzv h PRO 76 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1wzv h PRO 76 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wzv h PRO 76 CO 0.16 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.02 1wzv n ASN 77 N -3.18 3.82 -3.99 1.44 3.02 -1.26 -0.02 115.26 115.09 1wzv n ASN 77 Ca -0.03 -2.66 -0.23 0.00 -0.03 0.00 0.00 54.58 51.63 1wzv n ASN 77 Cb 0.09 -0.47 -0.16 0.00 -0.61 0.00 0.00 39.78 38.62 1wzv n ASN 77 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wzv s VAL 78 N -2.20 0.95 0.84 2.41 1.01 -1.06 -4.46 120.40 117.88 1wzv s VAL 78 Ca 0.38 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 1wzv s VAL 78 Cb 0.28 -0.88 0.11 0.00 0.00 0.00 0.00 36.38 35.89 1wzv s VAL 78 CO 0.13 0.31 1.21 1.51 0.00 0.00 0.00 175.10 178.26 1wzv s ASP 79 N 0.65 4.18 0.46 3.32 1.47 -0.24 -4.59 116.67 121.92 1wzv s ASP 79 Ca -0.12 0.65 0.32 0.00 1.18 0.00 0.00 52.55 54.57 1wzv s ASP 79 Cb -0.15 -1.03 1.55 0.00 -0.34 0.00 0.00 42.92 42.95 1wzv s ASP 79 CO 0.02 -2.10 1.95 -0.33 0.68 0.00 0.00 175.17 175.40 1wzv h GLU 80 N -1.19 0.00 -0.45 2.11 5.08 -1.91 -0.13 114.58 118.10 1wzv h GLU 80 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1wzv h GLU 80 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1wzv h GLU 80 CO 0.59 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.69 1wzv n ASN 81 N -2.68 2.83 0.00 1.42 3.02 -1.26 -4.95 115.26 113.64 1wzv n ASN 81 Ca -0.01 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 1wzv n ASN 81 Cb 0.14 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1wzv n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wzv n GLY 82 N 1.36 0.55 3.78 7.41 0.00 -0.06 -4.74 105.19 113.49 1wzv n GLY 82 Ca 0.18 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1wzv n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wzv s GLN 83 N -0.30 4.30 0.11 1.61 -1.52 -1.26 -0.85 119.66 121.77 1wzv s GLN 83 Ca 0.00 1.43 0.05 0.00 -1.95 0.00 0.00 55.36 54.88 1wzv s GLN 83 Cb 0.00 -2.60 -0.04 0.00 -0.22 0.00 0.00 33.01 30.16 1wzv s GLN 83 CO 0.00 0.00 -0.11 0.96 -0.25 0.00 0.00 175.29 175.89 1wzv s ILE 84 N -1.68 1.10 -0.62 1.08 -4.36 -1.26 -1.08 121.20 114.37 1wzv s ILE 84 Ca 0.56 -1.71 -0.01 0.00 -0.26 0.00 0.00 60.65 59.23 1wzv s ILE 84 Cb -0.20 -1.46 0.16 0.00 1.25 0.00 0.00 42.46 42.20 1wzv s ILE 84 CO 0.25 -0.53 0.41 0.00 0.24 0.00 0.00 174.94 175.32 1wzv s LEU 86 N -0.28 5.07 0.30 0.00 2.96 -1.26 -4.98 118.68 120.48 1wzv s LEU 86 Ca 0.18 -1.39 0.05 0.00 -0.22 0.00 0.00 54.13 52.75 1wzv s LEU 86 Cb -0.21 -2.00 0.76 0.00 0.50 0.00 0.00 46.19 45.24 1wzv s LEU 86 CO -0.03 -0.51 1.72 -0.65 -1.32 0.00 0.00 176.35 175.56 1wzv h PRO 87 N 8.42 0.51 -0.20 0.98 0.11 -1.97 -1.16 132.00 138.70 1wzv h PRO 87 Ca -0.24 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.90 1wzv h PRO 87 Cb 1.09 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1wzv h PRO 87 CO 0.74 0.34 0.25 0.97 -0.21 0.00 0.00 178.00 180.09 1wzv h ILE 88 N 0.53 0.38 -0.26 4.15 2.10 -1.93 -1.71 117.51 120.76 1wzv h ILE 88 Ca 0.58 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.52 1wzv h ILE 88 Cb 1.05 0.79 0.00 0.00 -1.09 0.00 0.00 36.82 37.57 1wzv h ILE 88 CO -0.47 0.00 0.00 2.30 -1.08 0.00 0.00 178.15 178.90 1wzv n ILE 89 N -3.66 1.33 -1.73 2.19 -5.35 -0.45 -4.23 119.36 107.46 1wzv n ILE 89 Ca 0.02 -1.26 -0.33 0.00 -0.27 0.00 0.00 62.75 60.92 1wzv n ILE 89 Cb 0.37 0.30 0.05 0.00 -1.74 0.00 0.00 39.64 38.61 1wzv n ILE 89 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1wzv s SER 90 N -1.30 5.16 0.37 7.28 1.04 -0.64 -4.77 113.70 120.83 1wzv s SER 90 Ca 0.24 1.92 0.04 0.00 0.48 0.00 0.00 55.95 58.63 1wzv s SER 90 Cb 0.16 -2.54 0.70 0.00 0.10 0.00 0.00 66.02 64.44 1wzv s SER 90 CO 0.11 -1.59 2.02 0.77 0.98 0.00 0.00 173.24 175.53 1wzv h SER 91 N -0.11 0.66 -0.48 7.02 4.64 -1.95 -0.53 113.55 122.81 1wzv h SER 91 Ca -0.46 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.79 1wzv h SER 91 Cb 1.24 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 1wzv h SER 91 CO 0.54 0.47 0.10 -0.08 -0.87 0.00 0.00 176.83 177.00 1wzv h GLU 92 N 0.78 0.83 0.00 4.77 4.81 -1.93 -3.30 114.58 120.55 1wzv h GLU 92 Ca 0.22 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1wzv h GLU 92 Cb -0.05 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1wzv h GLU 92 CO -0.05 0.77 -1.02 0.09 -0.73 0.00 0.00 179.01 178.07 1wzv n ASN 93 N -4.26 0.97 -4.73 1.04 3.02 -0.87 -4.97 115.26 105.46 1wzv n ASN 93 Ca 0.04 -0.96 -0.42 0.00 -0.03 0.00 0.00 54.58 53.20 1wzv n ASN 93 Cb 0.24 1.02 -0.03 0.00 -0.61 0.00 0.00 39.78 40.41 1wzv n ASN 93 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1wzv s TRP 94 N -3.01 3.09 0.00 3.10 -0.11 -0.26 -4.90 118.94 116.85 1wzv s TRP 94 Ca 0.08 0.88 0.04 0.00 1.22 0.00 0.00 56.10 58.32 1wzv s TRP 94 Cb 0.16 -3.82 -0.01 0.00 -1.50 0.00 0.00 33.47 28.30 1wzv s TRP 94 CO 0.87 -2.83 -0.12 0.15 -4.62 0.00 0.00 176.95 170.40 1wzv s LYS 95 N 0.45 0.90 0.62 5.86 1.02 -1.26 -5.03 119.74 122.30 1wzv s LYS 95 Ca 0.64 -0.49 0.36 0.00 0.02 0.00 0.00 55.97 56.50 1wzv s LYS 95 Cb -0.41 -0.87 2.05 0.00 -0.52 0.00 0.00 37.83 38.08 1wzv s LYS 95 CO 0.36 0.23 2.29 -1.35 -0.92 0.00 0.00 175.35 175.96 1wzv h PRO 96 N 5.63 0.00 0.00 -1.68 0.11 -1.93 -1.13 132.00 133.00 1wzv h PRO 96 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1wzv h PRO 96 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1wzv h PRO 96 CO 0.48 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.27 1wzv s THR 98 N -2.96 4.10 0.08 0.00 2.01 -0.43 -5.03 115.64 113.40 1wzv s THR 98 Ca 0.11 1.49 -0.00 0.00 0.31 0.00 0.00 61.69 63.60 1wzv s THR 98 Cb 0.14 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1wzv s THR 98 CO 0.37 0.09 0.23 -0.54 -0.69 0.00 0.00 174.62 174.08 1wzv s LYS 99 N 1.36 3.46 0.54 4.92 -0.14 -1.26 -5.00 119.74 123.61 1wzv s LYS 99 Ca 0.58 -0.42 0.20 0.00 -1.36 0.00 0.00 55.97 54.97 1wzv s LYS 99 Cb -0.28 -3.01 1.39 0.00 -1.68 0.00 0.00 37.83 34.24 1wzv s LYS 99 CO 0.27 0.59 2.15 1.15 -0.76 0.00 0.00 175.35 178.75 1wzv h THR 100 N 2.03 0.88 -0.96 2.17 2.02 -1.98 -0.45 112.91 116.62 1wzv h THR 100 Ca -0.45 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 1wzv h THR 100 Cb 1.16 0.97 -0.05 0.00 -1.74 0.00 0.00 68.15 68.50 1wzv h THR 100 CO 0.75 0.00 0.58 0.00 0.37 0.00 0.00 175.52 177.22 1wzv h GLN 102 N 1.32 0.36 -0.17 0.00 4.20 -1.49 -1.27 115.11 118.06 1wzv h GLN 102 Ca 0.34 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 1wzv h GLN 102 Cb -0.06 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1wzv h GLN 102 CO -0.07 0.64 -0.08 0.28 -0.67 0.00 0.00 178.83 178.93 1wzv h VAL 103 N 0.32 1.31 -0.40 -0.54 2.07 -1.11 -2.16 116.25 115.73 1wzv h VAL 103 Ca 0.04 -1.12 -0.08 0.00 0.82 0.00 0.00 66.70 66.36 1wzv h VAL 103 Cb 0.70 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1wzv h VAL 103 CO 0.05 0.33 -0.09 -0.07 0.02 0.00 0.00 177.57 177.81 1wzv h LEU 104 N 0.03 0.68 -0.76 2.57 3.38 -1.01 0.11 115.31 120.33 1wzv h LEU 104 Ca 0.04 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1wzv h LEU 104 Cb 0.55 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1wzv h LEU 104 CO 0.02 0.81 0.49 -0.08 0.09 0.00 0.00 178.44 179.78 1wzv h GLU 105 N 0.64 0.96 -0.29 1.13 4.81 -1.21 0.50 114.58 121.12 1wzv h GLU 105 Ca 0.12 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 1wzv h GLU 105 Cb 0.53 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1wzv h GLU 105 CO 0.03 0.63 -0.36 0.00 -0.73 0.00 0.00 179.01 178.58 1wzv h ALA 106 N 1.30 0.82 -0.48 2.92 0.00 -0.77 -2.09 119.26 120.96 1wzv h ALA 106 Ca 0.29 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1wzv h ALA 106 Cb -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1wzv h ALA 106 CO -0.08 0.64 0.19 1.25 0.00 0.00 0.00 179.25 181.25 1wzv h LEU 107 N 0.55 0.67 -0.53 0.00 5.85 -0.36 -1.46 115.31 120.03 1wzv h LEU 107 Ca 0.05 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.66 1wzv h LEU 107 Cb 0.87 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1wzv h LEU 107 CO 0.08 0.66 0.25 -1.13 -0.34 0.00 0.00 178.44 177.95 1wzv h ASN 108 N 0.64 0.33 -0.04 1.25 -1.24 -0.59 -1.82 115.58 114.11 1wzv h ASN 108 Ca 0.16 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.21 1wzv h ASN 108 Cb 0.20 -0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.23 1wzv h ASN 108 CO -0.01 0.22 0.02 0.58 -1.29 0.00 0.00 177.43 176.95 1wzv h VAL 109 N 0.47 1.00 -0.34 2.57 2.07 -1.24 -0.92 116.25 119.86 1wzv h VAL 109 Ca 0.24 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.82 1wzv h VAL 109 Cb 0.19 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 1wzv h VAL 109 CO -0.19 0.01 -0.13 0.25 0.02 0.00 0.00 177.57 177.52 1wzv h LEU 110 N 0.04 -0.45 -0.31 2.57 5.85 -0.96 0.45 115.31 122.49 1wzv h LEU 110 Ca 0.02 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1wzv h LEU 110 Cb 0.00 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1wzv h LEU 110 CO -0.01 -0.16 0.00 0.58 -0.34 0.00 0.00 178.44 178.50 1wzv h VAL 111 N -0.06 1.26 -0.08 1.05 2.07 -1.27 -3.01 116.25 116.20 1wzv h VAL 111 Ca 0.17 -0.94 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 1wzv h VAL 111 Cb 0.32 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1wzv h VAL 111 CO -0.39 0.31 -0.35 0.78 0.02 0.00 0.00 177.57 177.94 1wzv h ASN 112 N 0.35 0.16 -3.76 0.57 -0.26 -0.77 -3.37 115.58 108.49 1wzv h ASN 112 Ca 0.09 -0.06 -0.63 0.00 -0.56 0.00 0.00 56.30 55.14 1wzv h ASN 112 Cb 0.44 -0.04 -0.41 0.00 -1.06 0.00 0.00 38.32 37.24 1wzv h ASN 112 CO 0.02 0.50 -0.62 -0.13 -1.06 0.00 0.00 177.43 176.13 1wzv s ARG 113 N -4.25 2.09 0.30 0.81 1.81 0.15 -4.72 118.95 115.14 1wzv s ARG 113 Ca -0.04 -2.85 -0.27 0.00 -1.72 0.00 0.00 55.73 50.85 1wzv s ARG 113 Cb 0.14 -3.23 -0.14 0.00 -0.45 0.00 0.00 34.95 31.27 1wzv s ARG 113 CO 0.75 -1.19 0.85 -2.30 -0.68 0.00 0.00 175.30 172.72 1wzv n PRO 114 N 2.68 0.98 -3.87 3.54 -0.02 -1.22 -4.62 135.00 132.48 1wzv n PRO 114 Ca 0.12 0.35 -0.34 0.00 -2.02 0.00 0.00 63.50 61.61 1wzv n PRO 114 Cb 0.34 -1.65 -0.13 0.00 -0.02 0.00 0.00 33.50 32.04 1wzv n PRO 114 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1wzv s ASN 115 N -0.72 4.96 0.00 2.55 2.47 -1.26 -4.94 114.94 117.99 1wzv s ASN 115 Ca 0.61 -2.37 0.15 0.00 0.42 0.00 0.00 52.86 51.67 1wzv s ASN 115 Cb -0.71 -1.74 0.91 0.00 -1.45 0.00 0.00 41.25 38.25 1wzv s ASN 115 CO 0.59 -0.41 1.36 2.30 -3.72 0.00 0.00 177.10 177.21 1wzv n ILE 116 N 4.06 0.00 0.05 -5.21 -6.64 -1.26 -2.92 119.36 107.45 1wzv n ILE 116 Ca 0.03 0.00 -0.19 0.00 -1.77 0.00 0.00 62.75 60.82 1wzv n ILE 116 Cb 0.39 -0.55 -0.14 0.00 -1.44 0.00 0.00 39.64 37.90 1wzv n ILE 116 CO 0.00 0.00 0.00 0.03 -1.77 0.00 0.00 176.55 174.81 1wzv h ARG 117 N 0.00 0.28 -2.14 6.28 3.08 -2.00 -3.39 114.38 116.49 1wzv h ARG 117 Ca 0.00 -0.47 -0.58 0.00 0.07 0.00 0.00 59.98 59.00 1wzv h ARG 117 Cb 0.00 0.18 -0.41 0.00 0.08 0.00 0.00 29.97 29.81 1wzv h ARG 117 CO 0.00 1.14 -0.78 0.39 -1.07 0.00 0.00 179.97 179.65 1wzv n GLU 118 N -3.47 2.02 -2.69 0.04 1.02 -1.15 -5.10 120.64 111.32 1wzv n GLU 118 Ca -0.21 -4.22 -0.34 0.00 -0.02 0.00 0.00 57.16 52.37 1wzv n GLU 118 Cb 1.05 -1.93 -0.05 0.00 -0.02 0.00 0.00 31.44 30.49 1wzv n GLU 118 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1wzv s PRO 119 N -2.24 4.13 0.16 3.49 0.05 -1.24 -4.90 135.00 134.45 1wzv s PRO 119 Ca 0.40 1.28 0.20 0.00 0.05 0.00 0.00 61.00 62.92 1wzv s PRO 119 Cb 0.18 -2.28 -0.03 0.00 0.05 0.00 0.00 34.50 32.42 1wzv s PRO 119 CO -0.06 -0.14 1.02 -0.07 0.05 0.00 0.00 177.00 177.80 1wzv h LEU 120 N 2.04 0.00 -7.20 -3.56 4.07 -0.73 -3.43 115.31 106.50 1wzv h LEU 120 Ca -0.49 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 56.87 1wzv h LEU 120 Cb 1.20 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 42.54 1wzv h LEU 120 CO 0.61 0.28 -0.74 -0.13 -1.08 0.00 0.00 178.44 177.38 1wzv s ARG 121 N -3.14 1.05 0.26 1.13 0.52 -0.49 -4.82 118.95 113.46 1wzv s ARG 121 Ca -0.01 -1.54 -0.04 0.00 -0.52 0.00 0.00 55.73 53.62 1wzv s ARG 121 Cb 0.09 -2.34 0.33 0.00 0.52 0.00 0.00 34.95 33.55 1wzv s ARG 121 CO 0.79 -1.04 1.91 0.52 0.02 0.00 0.00 175.30 177.50 1wzv h MET 122 N 7.55 1.23 -0.42 3.54 2.86 -1.85 -1.80 114.93 126.05 1wzv h MET 122 Ca -0.08 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.43 1wzv h MET 122 Cb 0.99 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 1wzv h MET 122 CO 0.49 0.82 0.01 0.38 1.06 0.00 0.00 176.91 179.67 1wzv h ASP 123 N 1.27 0.63 -0.17 1.22 2.03 -1.98 0.25 116.42 119.67 1wzv h ASP 123 Ca 0.40 -0.13 -0.22 0.00 -0.73 0.00 0.00 57.03 56.35 1wzv h ASP 123 Cb 0.00 -0.17 0.01 0.00 -0.83 0.00 0.00 39.33 38.35 1wzv h ASP 123 CO -0.13 0.69 -0.73 -0.07 -1.03 0.00 0.00 179.24 177.98 1wzv h LEU 124 N 0.63 0.95 -0.55 0.15 4.07 -1.87 -1.89 115.31 116.80 1wzv h LEU 124 Ca 0.13 -0.60 -0.01 0.00 0.08 0.00 0.00 57.88 57.48 1wzv h LEU 124 Cb 0.38 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 1wzv h LEU 124 CO 0.01 1.40 0.31 0.00 -1.08 0.00 0.00 178.44 179.08 1wzv h ALA 125 N 0.59 0.71 -0.64 1.53 0.00 -0.86 -0.50 119.26 120.09 1wzv h ALA 125 Ca -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1wzv h ALA 125 Cb 1.35 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1wzv h ALA 125 CO 0.15 0.22 0.36 -0.44 0.00 0.00 0.00 179.25 179.54 1wzv h ASP 126 N 0.74 0.78 -0.29 0.00 3.32 -0.49 -2.57 116.42 117.91 1wzv h ASP 126 Ca 0.20 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1wzv h ASP 126 Cb 0.03 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1wzv h ASP 126 CO -0.03 0.64 0.03 0.25 -1.72 0.00 0.00 179.24 178.41 1wzv h LEU 127 N 0.86 0.47 -1.04 1.55 5.85 -1.02 -0.39 115.31 121.60 1wzv h LEU 127 Ca 0.23 -0.27 0.11 0.00 0.84 0.00 0.00 57.88 58.79 1wzv h LEU 127 Cb 0.02 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 40.84 1wzv h LEU 127 CO -0.04 0.63 0.63 0.25 -0.34 0.00 0.00 178.44 179.57 1wzv h LEU 128 N 0.30 0.91 0.01 2.25 5.85 -1.00 0.31 115.31 123.94 1wzv h LEU 128 Ca 0.09 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1wzv h LEU 128 Cb 0.36 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1wzv h LEU 128 CO 0.01 0.50 -0.00 0.74 -0.34 0.00 0.00 178.44 179.34 1wzv h THR 129 N 0.99 1.50 -0.49 1.05 2.02 -1.32 -2.90 112.91 113.75 1wzv h THR 129 Ca 0.48 -1.54 -0.04 0.00 0.77 0.00 0.00 66.41 66.08 1wzv h THR 129 Cb 0.47 2.55 -0.02 0.00 -1.74 0.00 0.00 68.15 69.41 1wzv h THR 129 CO -0.25 0.40 0.17 -0.61 0.37 0.00 0.00 175.52 175.60 1wzv h GLN 130 N -0.67 0.76 -1.69 6.66 5.75 -0.77 -3.40 115.11 121.74 1wzv h GLN 130 Ca -0.00 -0.15 -0.37 0.00 -0.15 0.00 0.00 58.65 57.98 1wzv h GLN 130 Cb 0.66 -0.11 -0.27 0.00 1.07 0.00 0.00 27.48 28.82 1wzv h GLN 130 CO 0.00 0.70 -0.73 1.21 -2.65 0.00 0.00 178.83 177.36 1wzv s ASN 131 N -6.03 0.05 0.40 -0.69 3.84 0.11 -5.02 114.94 107.58 1wzv s ASN 131 Ca -0.13 -2.32 0.10 0.00 0.21 0.00 0.00 52.86 50.72 1wzv s ASN 131 Cb 0.11 0.73 0.89 0.00 -0.55 0.00 0.00 41.25 42.44 1wzv s ASN 131 CO 0.78 -0.12 1.96 1.55 -2.79 0.00 0.00 177.10 178.48 1wzv h PRO 132 N 5.47 0.56 -0.01 0.43 0.13 -1.62 0.25 132.00 137.20 1wzv h PRO 132 Ca 0.16 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1wzv h PRO 132 Cb 1.02 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 1wzv h PRO 132 CO 0.19 0.37 0.00 1.49 -0.23 0.00 0.00 178.00 179.82 1wzv h GLU 133 N 0.57 0.02 -0.74 0.86 4.81 -1.92 -0.77 114.58 117.42 1wzv h GLU 133 Ca 0.30 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.53 1wzv h GLU 133 Cb 0.43 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 1wzv h GLU 133 CO -0.10 0.28 0.49 1.25 -0.73 0.00 0.00 179.01 180.20 1wzv h LEU 134 N -0.23 0.85 -0.36 1.64 5.85 -1.83 -2.10 115.31 119.12 1wzv h LEU 134 Ca 0.00 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1wzv h LEU 134 Cb 0.27 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 1wzv h LEU 134 CO 0.00 0.61 -0.09 0.15 -0.34 0.00 0.00 178.44 178.77 1wzv h PHE 135 N 1.00 -0.19 -0.75 1.25 3.57 -0.76 -1.95 116.94 119.11 1wzv h PHE 135 Ca 0.27 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.90 1wzv h PHE 135 Cb -0.12 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.69 1wzv h PHE 135 CO -0.02 -0.16 0.40 -0.09 -2.23 0.00 0.00 178.31 176.21 1wzv h ARG 136 N -0.00 0.66 -0.39 1.11 2.43 -0.65 -0.04 114.38 117.49 1wzv h ARG 136 Ca 0.17 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1wzv h ARG 136 Cb 0.27 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1wzv h ARG 136 CO -0.37 0.44 0.18 0.87 -1.51 0.00 0.00 179.97 179.58 1wzv h LYS 137 N 0.68 0.57 -0.19 0.20 1.57 -1.01 0.31 116.57 118.69 1wzv h LYS 137 Ca 0.37 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 59.08 1wzv h LYS 137 Cb 0.36 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1wzv h LYS 137 CO -0.26 0.51 0.05 -0.91 -0.57 0.00 0.00 179.45 178.28 1wzv h ASN 138 N 0.49 0.04 -0.68 0.86 4.21 -0.74 -1.95 115.58 117.81 1wzv h ASN 138 Ca 0.13 0.02 -0.06 0.00 1.21 0.00 0.00 56.30 57.61 1wzv h ASN 138 Cb 0.14 0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.33 1wzv h ASN 138 CO -0.02 0.05 0.20 0.00 -1.29 0.00 0.00 177.43 176.38 1wzv h ALA 139 N 1.13 1.04 0.02 -0.83 0.00 -0.81 -1.71 119.26 118.10 1wzv h ALA 139 Ca 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1wzv h ALA 139 Cb 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1wzv h ALA 139 CO -0.10 0.64 -0.01 1.49 0.00 0.00 0.00 179.25 181.27 1wzv h GLU 140 N 1.04 -0.03 -0.53 0.00 4.81 -0.22 0.12 114.58 119.77 1wzv h GLU 140 Ca 0.23 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.49 1wzv h GLU 140 Cb 0.31 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1wzv h GLU 140 CO -0.01 0.01 0.31 1.49 -0.73 0.00 0.00 179.01 180.09 1wzv h GLU 141 N -0.05 0.60 -0.19 1.92 4.81 -1.21 0.23 114.58 120.69 1wzv h GLU 141 Ca -0.00 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 1wzv h GLU 141 Cb 0.05 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1wzv h GLU 141 CO 0.00 0.40 -0.46 0.35 -0.73 0.00 0.00 179.01 178.58 1wzv h PHE 142 N 0.62 0.57 -0.10 0.92 3.57 -1.11 -1.27 116.94 120.15 1wzv h PHE 142 Ca 0.22 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1wzv h PHE 142 Cb 0.04 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 1wzv h PHE 142 CO -0.07 0.85 -0.00 1.15 -2.23 0.00 0.00 178.31 178.01 1wzv h THR 143 N 0.38 1.26 -0.50 4.41 2.02 -0.30 -1.74 112.91 118.44 1wzv h THR 143 Ca 0.02 -0.82 -0.02 0.00 0.77 0.00 0.00 66.41 66.37 1wzv h THR 143 Cb 0.95 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 1wzv h THR 143 CO 0.08 0.23 0.24 -0.07 0.37 0.00 0.00 175.52 176.37 1wzv h LEU 144 N -0.11 0.63 -0.03 2.58 3.38 -0.89 0.25 115.31 121.12 1wzv h LEU 144 Ca 0.03 -0.06 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 1wzv h LEU 144 Cb 0.36 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.97 1wzv h LEU 144 CO 0.01 0.54 -0.84 -0.09 0.09 0.00 0.00 178.44 178.14 1wzv h ARG 145 N 0.70 0.63 0.00 1.13 2.43 -1.09 -3.39 114.38 114.79 1wzv h ARG 145 Ca 0.18 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1wzv h ARG 145 Cb 0.08 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1wzv h ARG 145 CO -0.02 1.24 -0.29 1.19 -1.51 0.00 0.00 179.97 180.57 1wzv n PHE 146 N -4.00 0.00 -1.21 2.20 3.72 -0.67 -5.05 117.46 112.45 1wzv n PHE 146 Ca -0.10 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.97 1wzv n PHE 146 Cb 0.78 -0.01 0.11 0.00 -0.94 0.00 0.00 39.48 39.43 1wzv n PHE 146 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1wzv s GLY 147 N -1.54 2.04 0.16 1.37 0.00 0.88 -4.64 107.32 105.59 1wzv s GLY 147 Ca 0.02 0.68 -0.23 0.00 0.00 0.00 0.00 44.72 45.19 1wzv s GLY 147 CO 0.21 1.08 0.72 0.14 0.00 0.00 0.00 173.10 175.25 1wzv s VAL 148 N -2.34 4.49 0.19 1.40 1.01 -0.06 -4.89 120.40 120.20 1wzv s VAL 148 Ca 0.70 1.51 -0.32 0.00 0.00 0.00 0.00 61.98 63.86 1wzv s VAL 148 Cb -0.25 -4.03 -0.15 0.00 0.00 0.00 0.00 36.38 31.95 1wzv s VAL 148 CO 0.50 0.47 1.14 0.47 0.00 0.00 0.00 175.10 177.68 1wzv n ASP 149 N 1.44 1.31 -4.65 3.32 8.00 -1.26 -0.91 116.55 123.79 1wzv n ASP 149 Ca -0.06 1.15 -0.41 0.00 0.71 0.00 0.00 54.79 56.17 1wzv n ASP 149 Cb 0.50 -1.22 -0.05 0.00 -0.02 0.00 0.00 41.12 40.33 1wzv n ASP 149 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1wzv s ARG 150 N -0.52 4.22 0.00 -1.24 6.06 -1.26 -4.48 118.95 121.73 1wzv s ARG 150 Ca 0.71 0.90 0.16 0.00 -2.50 0.00 0.00 55.73 55.00 1wzv s ARG 150 Cb -0.84 -3.61 0.96 0.00 0.06 0.00 0.00 34.95 31.52 1wzv s ARG 150 CO 0.53 -0.41 1.37 -2.30 -2.50 0.00 0.00 175.30 171.98