#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 0.67 -0.24 0.00 0.02 -1.92 -0.64 113.55 111.44 1wzv h SER 3 Ca 0.00 0.10 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 1wzv h SER 3 Cb 0.00 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1wzv h SER 3 CO 0.00 0.20 -0.40 0.24 -1.14 0.00 0.00 176.83 175.73 1wzv h MET 4 N 0.63 0.69 -0.40 3.45 2.86 -1.99 -0.61 114.93 119.56 1wzv h MET 4 Ca 0.59 -0.43 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 1wzv h MET 4 Cb 1.10 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 1wzv h MET 4 CO -0.37 1.04 0.06 -0.09 1.06 0.00 0.00 176.91 178.62 1wzv h ARG 5 N 0.41 0.66 -0.39 1.72 2.43 -1.80 -2.70 114.38 114.71 1wzv h ARG 5 Ca 0.02 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 58.99 1wzv h ARG 5 Cb 1.00 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 1wzv h ARG 5 CO 0.09 0.71 0.18 0.28 -1.51 0.00 0.00 179.97 179.73 1wzv h VAL 6 N 0.51 1.18 -0.75 0.20 2.07 -1.04 -1.07 116.25 117.35 1wzv h VAL 6 Ca 0.12 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.15 1wzv h VAL 6 Cb 0.38 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1wzv h VAL 6 CO 0.01 0.19 0.48 0.58 0.02 0.00 0.00 177.57 178.85 1wzv h VAL 7 N 0.49 1.15 -0.28 2.57 2.07 -1.11 0.26 116.25 121.39 1wzv h VAL 7 Ca 0.13 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1wzv h VAL 7 Cb 0.13 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 1wzv h VAL 7 CO -0.02 0.18 0.13 0.50 0.02 0.00 0.00 177.57 178.38 1wzv h LYS 8 N 0.97 0.27 -0.11 1.57 3.64 -1.12 -0.19 116.57 121.59 1wzv h LYS 8 Ca 0.29 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1wzv h LYS 8 Cb -0.05 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1wzv h LYS 8 CO -0.09 0.18 -0.02 0.93 -2.27 0.00 0.00 179.45 178.18 1wzv h GLU 9 N 0.27 0.01 -0.43 1.90 5.08 -0.53 -1.83 114.58 119.05 1wzv h GLU 9 Ca 0.12 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1wzv h GLU 9 Cb 0.06 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1wzv h GLU 9 CO -0.10 0.01 0.25 1.25 -1.00 0.00 0.00 179.01 179.42 1wzv h LEU 10 N 0.01 0.41 -0.46 1.33 5.85 -0.35 -0.96 115.31 121.14 1wzv h LEU 10 Ca 0.05 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1wzv h LEU 10 Cb 0.08 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1wzv h LEU 10 CO -0.11 0.29 0.24 -0.08 -0.34 0.00 0.00 178.44 178.45 1wzv h GLU 11 N 0.51 0.47 -0.33 1.25 4.81 -0.97 0.24 114.58 120.56 1wzv h GLU 11 Ca 0.17 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1wzv h GLU 11 Cb 0.01 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1wzv h GLU 11 CO -0.08 0.31 0.09 -0.44 -0.73 0.00 0.00 179.01 178.16 1wzv h ASP 12 N 0.48 0.49 -0.74 1.04 5.19 -0.99 -2.67 116.42 119.22 1wzv h ASP 12 Ca 0.20 -0.22 -0.04 0.00 -0.62 0.00 0.00 57.03 56.35 1wzv h ASP 12 Cb 0.09 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.43 1wzv h ASP 12 CO -0.13 0.59 0.33 -0.07 -3.12 0.00 0.00 179.24 176.84 1wzv h LEU 13 N 0.38 1.01 -1.19 1.55 3.38 -0.79 -0.27 115.31 119.38 1wzv h LEU 13 Ca 0.10 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1wzv h LEU 13 Cb 0.28 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1wzv h LEU 13 CO -0.00 0.88 -0.32 1.56 0.09 0.00 0.00 178.44 180.65 1wzv h GLN 14 N 1.09 0.15 0.17 1.13 4.20 -0.48 -1.09 115.11 120.27 1wzv h GLN 14 Ca 0.26 -0.05 -0.28 0.00 0.06 0.00 0.00 58.65 58.63 1wzv h GLN 14 Cb 0.16 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 27.95 1wzv h GLN 14 CO -0.03 0.46 -1.33 0.87 -0.67 0.00 0.00 178.83 178.13 1wzv h LYS 15 N 0.13 0.36 -2.37 1.46 1.57 -1.27 -3.38 116.57 113.06 1wzv h LYS 15 Ca 0.02 -0.61 -0.65 0.00 -1.87 0.00 0.00 60.65 57.53 1wzv h LYS 15 Cb 0.63 0.23 -0.38 0.00 0.08 0.00 0.00 32.23 32.78 1wzv h LYS 15 CO 0.05 1.29 -0.24 1.63 -0.57 0.00 0.00 179.45 181.61 1wzv n LYS 16 N -3.87 3.06 -2.58 3.15 4.76 -0.13 -5.09 118.16 117.46 1wzv n LYS 16 Ca -0.20 -4.65 -0.36 0.00 -2.87 0.00 0.00 58.31 50.22 1wzv n LYS 16 Cb 0.96 -2.32 -0.04 0.00 -1.84 0.00 0.00 35.03 31.78 1wzv n LYS 16 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1wzv s PRO 17 N -2.60 4.18 0.67 1.97 0.04 -0.42 -4.66 135.00 134.19 1wzv s PRO 17 Ca 0.38 1.47 -0.11 0.00 0.04 0.00 0.00 61.00 62.78 1wzv s PRO 17 Cb 0.13 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 32.14 1wzv s PRO 17 CO 0.02 -0.12 1.05 -1.25 0.04 0.00 0.00 177.00 176.74 1wzv s PRO 18 N -2.53 3.16 0.60 0.56 0.04 -1.26 -4.93 135.00 130.64 1wzv s PRO 18 Ca 0.58 0.86 0.34 0.00 0.04 0.00 0.00 61.00 62.81 1wzv s PRO 18 Cb -0.21 -2.02 1.95 0.00 0.04 0.00 0.00 34.50 34.26 1wzv s PRO 18 CO 0.26 -0.91 2.26 -1.35 0.04 0.00 0.00 177.00 177.30 1wzv h PRO 19 N -0.58 0.00 -0.04 0.56 0.11 -2.00 -2.42 132.00 127.63 1wzv h PRO 19 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1wzv h PRO 19 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1wzv h PRO 19 CO 0.59 0.01 0.00 2.48 -0.21 0.00 0.00 178.00 180.87 1wzv n TYR 20 N -3.59 0.03 -4.27 0.65 0.18 -1.26 -4.79 117.16 104.10 1wzv n TYR 20 Ca -0.03 -0.01 -0.32 0.00 1.88 0.00 0.00 57.90 59.42 1wzv n TYR 20 Cb 0.10 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 38.90 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 -1.96 1.97 0.18 -3.48 2.96 -0.91 -0.00 118.68 117.44 1wzv s LEU 21 Ca 0.35 -0.57 0.09 0.00 -0.22 0.00 0.00 54.13 53.78 1wzv s LEU 21 Cb 0.21 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 1wzv s LEU 21 CO 0.32 0.01 -0.20 -0.13 -1.32 0.00 0.00 176.35 175.03 1wzv s ARG 22 N 1.18 1.37 -1.46 1.98 1.81 -0.30 -4.52 118.95 119.01 1wzv s ARG 22 Ca 0.01 -1.48 -0.11 0.00 -1.72 0.00 0.00 55.73 52.43 1wzv s ARG 22 Cb -0.14 -1.48 0.05 0.00 -0.45 0.00 0.00 34.95 32.94 1wzv s ARG 22 CO -0.08 0.30 1.03 0.09 -0.68 0.00 0.00 175.30 175.95 1wzv n ASN 23 N 0.17 -4.95 -4.66 0.23 3.02 -1.26 -0.36 115.26 107.45 1wzv n ASN 23 Ca -0.12 -0.71 -0.42 0.00 -0.03 0.00 0.00 54.58 53.30 1wzv n ASN 23 Cb 0.57 -4.28 -0.03 0.00 -0.61 0.00 0.00 39.78 35.44 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 -7.23 4.32 -0.01 3.41 2.96 -1.26 -4.32 118.68 116.55 1wzv s LEU 24 Ca 0.58 2.23 -0.20 0.00 -0.22 0.00 0.00 54.13 56.52 1wzv s LEU 24 Cb -0.28 -3.53 0.04 0.00 0.50 0.00 0.00 46.19 42.92 1wzv s LEU 24 CO 0.80 -0.92 0.44 -0.94 -1.32 0.00 0.00 176.35 174.41 1wzv s SER 25 N 3.28 -0.35 0.71 3.68 1.04 -0.38 -4.91 113.70 116.78 1wzv s SER 25 Ca 0.73 0.25 -0.07 0.00 0.48 0.00 0.00 55.95 57.34 1wzv s SER 25 Cb -0.33 0.40 0.06 0.00 0.10 0.00 0.00 66.02 66.25 1wzv s SER 25 CO 0.29 -0.54 1.02 -0.94 0.98 0.00 0.00 173.24 174.05 1wzv s SER 26 N -1.43 4.78 0.67 7.02 1.04 -1.26 0.27 113.70 124.78 1wzv s SER 26 Ca -0.11 0.44 -0.13 0.00 0.48 0.00 0.00 55.95 56.62 1wzv s SER 26 Cb -0.03 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 65.02 1wzv s SER 26 CO 0.05 -1.62 1.08 -0.62 0.98 0.00 0.00 173.24 173.10 1wzv s ASP 27 N -4.53 5.25 0.22 7.02 -1.08 0.14 -4.80 116.67 118.88 1wzv s ASP 27 Ca 0.60 1.82 -0.15 0.00 -0.52 0.00 0.00 52.55 54.30 1wzv s ASP 27 Cb -0.10 -2.53 0.24 0.00 -1.46 0.00 0.00 42.92 39.07 1wzv s ASP 27 CO 0.45 -1.53 1.59 0.44 0.52 0.00 0.00 175.17 176.64 1wzv h ASP 28 N -0.25 -0.92 0.00 -0.34 3.32 -1.98 -3.09 116.42 113.16 1wzv h ASP 28 Ca -0.45 0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1wzv h ASP 28 Cb 1.23 0.53 0.00 0.00 0.22 0.00 0.00 39.33 41.31 1wzv h ASP 28 CO 0.55 -0.27 0.00 0.00 -1.72 0.00 0.00 179.24 177.80 1wzv n ALA 29 N -3.23 2.19 -3.89 3.45 0.00 -1.26 -4.95 120.51 112.82 1wzv n ALA 29 Ca 0.08 -0.59 -0.33 0.00 0.00 0.00 0.00 53.44 52.60 1wzv n ALA 29 Cb 0.38 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.24 4.85 0.00 0.00 3.84 -1.17 -4.95 114.94 117.27 1wzv s ASN 30 Ca 0.00 -1.78 0.26 0.00 0.21 0.00 0.00 52.86 51.55 1wzv s ASN 30 Cb 0.00 -1.68 1.28 0.00 -0.55 0.00 0.00 41.25 40.30 1wzv s ASN 30 CO 0.00 -0.35 1.87 1.33 -2.79 0.00 0.00 177.10 177.15 1wzv n VAL 31 N 4.45 0.18 0.81 -5.21 0.24 -1.26 -2.64 118.33 114.90 1wzv n VAL 31 Ca -0.05 0.04 0.11 0.00 -2.04 0.00 0.00 64.34 62.40 1wzv n VAL 31 Cb 0.42 -0.62 0.29 0.00 -1.47 0.00 0.00 33.84 32.47 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 -1.30 2.48 -4.01 1.34 4.77 -1.26 -4.74 117.00 114.28 1wzv n LEU 32 Ca 0.12 -1.06 -0.27 0.00 -0.03 0.00 0.00 56.01 54.77 1wzv n LEU 32 Cb 0.21 -0.17 -0.17 0.00 -2.33 0.00 0.00 43.42 40.96 1wzv n LEU 32 CO 0.20 0.53 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.63 1wzv s VAL 33 N -1.65 1.24 0.25 4.08 1.01 -1.18 -0.40 120.40 123.75 1wzv s VAL 33 Ca 0.35 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 61.94 1wzv s VAL 33 Cb 0.20 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1wzv s VAL 33 CO 0.28 0.39 -0.09 0.26 0.00 0.00 0.00 175.10 175.94 1wzv s TRP 34 N 1.04 2.54 0.05 5.22 0.51 0.76 -0.69 118.94 128.38 1wzv s TRP 34 Ca -0.07 -0.26 0.05 0.00 -2.12 0.00 0.00 56.10 53.70 1wzv s TRP 34 Cb -0.15 -1.15 -0.03 0.00 -0.81 0.00 0.00 33.47 31.34 1wzv s TRP 34 CO -0.01 0.62 -0.14 -1.01 -0.51 0.00 0.00 176.95 175.90 1wzv s HIS 35 N -2.21 1.18 0.10 -1.98 3.76 0.14 -0.99 115.29 115.29 1wzv s HIS 35 Ca 0.29 -0.41 -0.25 0.00 -0.15 0.00 0.00 55.06 54.54 1wzv s HIS 35 Cb -0.07 -0.68 0.08 0.00 1.11 0.00 0.00 32.58 33.02 1wzv s HIS 35 CO 0.17 0.04 0.66 0.00 -0.85 0.00 0.00 174.74 174.75 1wzv s ALA 36 N -1.08 -1.66 -0.22 -1.40 0.00 -1.07 -1.25 121.76 115.08 1wzv s ALA 36 Ca -0.01 0.71 -0.10 0.00 0.00 0.00 0.00 51.96 52.56 1wzv s ALA 36 Cb -0.09 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 1wzv s ALA 36 CO 0.02 -0.69 0.13 -0.51 0.00 0.00 0.00 175.76 174.71 1wzv s LEU 37 N -2.44 4.07 -0.08 0.00 1.43 0.51 -1.17 118.68 121.01 1wzv s LEU 37 Ca -0.00 0.13 -0.20 0.00 -1.03 0.00 0.00 54.13 53.03 1wzv s LEU 37 Cb -0.01 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1wzv s LEU 37 CO -0.09 0.11 0.55 -0.22 0.23 0.00 0.00 176.35 176.93 1wzv s LEU 38 N 0.77 4.32 -0.61 1.79 2.96 0.57 -1.16 118.68 127.33 1wzv s LEU 38 Ca 0.07 0.97 -0.03 0.00 -0.22 0.00 0.00 54.13 54.92 1wzv s LEU 38 Cb -0.13 -2.82 0.16 0.00 0.50 0.00 0.00 46.19 43.90 1wzv s LEU 38 CO 0.02 0.01 0.43 -0.76 -1.32 0.00 0.00 176.35 174.73 1wzv s LEU 39 N 0.41 5.27 0.57 -0.68 1.02 1.00 -1.57 118.68 124.70 1wzv s LEU 39 Ca 0.29 -2.79 -0.17 0.00 0.02 0.00 0.00 54.13 51.48 1wzv s LEU 39 Cb -0.16 -1.86 -0.04 0.00 0.02 0.00 0.00 46.19 44.14 1wzv s LEU 39 CO 0.14 -0.39 1.07 -2.84 0.02 0.00 0.00 176.35 174.35 1wzv s PRO 40 N 0.03 3.35 -0.05 1.29 0.02 -1.26 -4.70 135.00 133.68 1wzv s PRO 40 Ca 0.16 1.32 0.21 0.00 0.02 0.00 0.00 61.00 62.71 1wzv s PRO 40 Cb -0.20 -2.03 -0.32 0.00 0.02 0.00 0.00 34.50 31.97 1wzv s PRO 40 CO -0.04 -0.80 0.42 -0.25 -0.33 0.00 0.00 177.00 176.01 1wzv n ASP 41 N -1.76 0.02 -4.66 2.53 8.00 -1.26 -3.40 116.55 116.02 1wzv n ASP 41 Ca 0.09 0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.18 1wzv n ASP 41 Cb 0.52 1.79 -0.03 0.00 -0.02 0.00 0.00 41.12 43.38 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 -3.34 4.18 0.36 -1.24 2.00 -1.26 -4.43 119.66 115.94 1wzv s GLN 42 Ca -0.08 2.28 -0.28 0.00 -2.00 0.00 0.00 55.36 55.27 1wzv s GLN 42 Cb 0.13 -3.98 -0.11 0.00 0.80 0.00 0.00 33.01 29.84 1wzv s GLN 42 CO 0.89 -0.85 1.50 -2.14 -0.50 0.00 0.00 175.29 174.19 1wzv s PRO 43 N 3.99 4.12 -0.07 1.67 0.02 -1.26 -0.19 135.00 143.28 1wzv s PRO 43 Ca 0.76 2.56 0.13 0.00 0.02 0.00 0.00 61.00 64.47 1wzv s PRO 43 Cb -0.36 -2.98 0.48 0.00 0.02 0.00 0.00 34.50 31.67 1wzv s PRO 43 CO 0.32 -0.54 1.35 -0.35 -0.33 0.00 0.00 177.00 177.45 1wzv n PRO 44 N 0.70 2.74 0.28 5.54 -0.04 -1.26 -4.92 135.00 138.03 1wzv n PRO 44 Ca 0.02 -1.89 0.16 0.00 -0.04 0.00 0.00 63.50 61.75 1wzv n PRO 44 Cb 0.39 -1.64 0.75 0.00 -0.04 0.00 0.00 33.50 32.96 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 2.77 0.00 0.00 0.54 0.05 -0.91 -2.96 116.97 116.45 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 1.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.74 1wzv h TYR 45 CO 0.49 0.06 0.00 -2.39 -1.05 0.00 0.00 178.16 175.27 1wzv n HIS 46 N -3.24 0.00 0.10 4.88 1.44 -1.12 -2.81 115.22 114.47 1wzv n HIS 46 Ca -0.01 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 1wzv n HIS 46 Cb 0.27 -0.44 -0.03 0.00 0.12 0.00 0.00 29.99 29.91 1wzv n HIS 46 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1wzv h LEU 47 N 0.00 0.00 0.00 2.39 3.38 -1.81 -3.48 115.31 115.80 1wzv h LEU 47 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1wzv h LEU 47 Cb 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 1wzv h LEU 47 CO 0.00 0.65 -0.29 0.29 0.09 0.00 0.00 178.44 179.19 1wzv n LYS 48 N -3.20 0.61 -4.45 1.13 4.76 -1.12 -4.36 118.16 111.52 1wzv n LYS 48 Ca -0.01 -2.10 -0.22 0.00 -2.87 0.00 0.00 58.31 53.11 1wzv n LYS 48 Cb 0.81 1.27 -0.10 0.00 -1.84 0.00 0.00 35.03 35.16 1wzv n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wzv s ALA 49 N -2.71 2.44 -0.06 7.82 0.00 0.19 -4.50 121.76 124.93 1wzv s ALA 49 Ca 0.15 -1.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.10 1wzv s ALA 49 Cb 0.01 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.49 1wzv s ALA 49 CO 0.11 -0.15 0.03 -0.06 0.00 0.00 0.00 175.76 175.69 1wzv s PHE 50 N -3.07 0.36 0.29 0.00 0.08 -0.61 -0.41 117.98 114.62 1wzv s PHE 50 Ca 0.32 0.04 -0.29 0.00 0.12 0.00 0.00 56.93 57.12 1wzv s PHE 50 Cb 0.06 -0.64 -0.10 0.00 -0.57 0.00 0.00 43.02 41.77 1wzv s PHE 50 CO 0.14 -0.26 1.11 1.21 -0.10 0.00 0.00 175.22 177.31 1wzv s ASN 51 N 2.07 7.21 0.13 1.36 3.84 -1.26 -0.31 114.94 127.97 1wzv s ASN 51 Ca 0.05 2.28 0.06 0.00 0.21 0.00 0.00 52.86 55.46 1wzv s ASN 51 Cb -0.12 -2.63 -0.04 0.00 -0.55 0.00 0.00 41.25 37.91 1wzv s ASN 51 CO -0.04 -0.19 -0.15 -1.48 -2.79 0.00 0.00 177.10 172.45 1wzv s LEU 52 N -1.54 2.40 -0.20 3.21 0.05 -0.32 -0.62 118.68 121.66 1wzv s LEU 52 Ca 0.45 -0.80 -0.03 0.00 0.05 0.00 0.00 54.13 53.81 1wzv s LEU 52 Cb -0.32 -0.62 -0.01 0.00 -2.05 0.00 0.00 46.19 43.19 1wzv s LEU 52 CO 0.41 -0.11 -0.08 -0.60 -0.55 0.00 0.00 176.35 175.43 1wzv s ARG 53 N -2.59 3.33 -0.30 1.48 3.52 -0.10 -2.61 118.95 121.68 1wzv s ARG 53 Ca 0.09 -0.66 -0.09 0.00 -0.13 0.00 0.00 55.73 54.95 1wzv s ARG 53 Cb -0.06 -2.89 -0.00 0.00 -1.56 0.00 0.00 34.95 30.43 1wzv s ARG 53 CO 0.04 -0.14 0.13 0.42 -0.81 0.00 0.00 175.30 174.94 1wzv s ILE 54 N 1.28 4.42 -0.18 4.11 1.01 -0.16 -1.88 121.20 129.80 1wzv s ILE 54 Ca 0.03 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.15 1wzv s ILE 54 Cb -0.14 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1wzv s ILE 54 CO -0.03 0.09 0.03 -0.44 0.00 0.00 0.00 174.94 174.59 1wzv s SER 55 N 1.59 5.31 -0.17 3.58 0.01 0.61 -0.17 113.70 124.45 1wzv s SER 55 Ca 0.04 -0.02 -0.07 0.00 1.31 0.00 0.00 55.95 57.21 1wzv s SER 55 Cb -0.17 -1.90 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 1wzv s SER 55 CO 0.05 0.14 0.06 -0.36 0.41 0.00 0.00 173.24 173.54 1wzv s PHE 56 N 0.54 3.27 0.70 2.43 0.08 0.47 0.16 117.98 125.62 1wzv s PHE 56 Ca 0.01 0.11 -0.11 0.00 0.12 0.00 0.00 56.93 57.06 1wzv s PHE 56 Cb -0.13 -2.03 0.01 0.00 -0.57 0.00 0.00 43.02 40.29 1wzv s PHE 56 CO 0.02 0.23 1.07 -1.25 -0.10 0.00 0.00 175.22 175.19 1wzv s PRO 57 N 0.12 2.91 0.36 0.24 0.04 -1.26 -4.88 135.00 132.53 1wzv s PRO 57 Ca 0.05 0.70 0.11 0.00 0.04 0.00 0.00 61.00 61.90 1wzv s PRO 57 Cb -0.12 -2.01 0.90 0.00 0.04 0.00 0.00 34.50 33.31 1wzv s PRO 57 CO 0.01 -1.05 1.81 -1.35 0.04 0.00 0.00 177.00 176.46 1wzv h PRO 58 N -0.67 0.59 0.00 0.56 0.11 -1.98 -1.99 132.00 128.61 1wzv h PRO 58 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1wzv h PRO 58 Cb 1.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1wzv h PRO 58 CO 0.61 0.39 0.00 0.39 -0.21 0.00 0.00 178.00 179.18 1wzv n GLU 59 N -4.64 0.16 -1.59 1.05 4.71 -1.26 -4.35 120.64 114.72 1wzv n GLU 59 Ca 0.21 0.06 -0.48 0.00 -0.01 0.00 0.00 57.16 56.95 1wzv n GLU 59 Cb 0.63 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.53 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 -1.41 1.39 -0.02 -0.32 9.36 -0.75 -0.61 117.16 124.80 1wzv n TYR 60 Ca 0.09 0.65 0.05 0.00 3.32 0.00 0.00 57.90 62.01 1wzv n TYR 60 Cb 0.25 -2.30 0.25 0.00 -0.63 0.00 0.00 39.34 36.92 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 1.63 3.12 0.00 2.98 -0.04 -1.26 -4.56 135.00 136.87 1wzv n PRO 61 Ca 0.14 -1.94 0.12 0.00 -0.04 0.00 0.00 63.50 61.78 1wzv n PRO 61 Cb 0.27 -1.82 0.29 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.54 0.00 -4.22 0.54 3.72 0.22 -4.29 117.46 113.98 1wzv n PHE 62 Ca 0.17 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.39 1wzv n PHE 62 Cb 0.73 -0.27 -0.12 0.00 -0.94 0.00 0.00 39.48 38.88 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 -2.98 0.83 0.65 -1.08 1.02 -1.24 -4.92 119.74 112.01 1wzv s LYS 63 Ca 0.12 -0.86 -0.15 0.00 0.02 0.00 0.00 55.97 55.10 1wzv s LYS 63 Cb 0.18 -0.82 -0.00 0.00 -0.52 0.00 0.00 37.83 36.66 1wzv s LYS 63 CO 0.68 0.19 1.09 -1.25 -0.92 0.00 0.00 175.35 175.14 1wzv s PRO 64 N -1.51 2.89 0.86 -1.68 0.04 -1.26 -4.25 135.00 130.09 1wzv s PRO 64 Ca -0.01 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.21 1wzv s PRO 64 Cb -0.09 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.59 1wzv s PRO 64 CO 0.02 -1.16 1.09 -1.25 0.04 0.00 0.00 177.00 175.74 1wzv s PRO 65 N -4.21 1.56 -0.08 0.56 0.04 -1.26 -4.42 135.00 127.19 1wzv s PRO 65 Ca 0.65 0.85 -0.01 0.00 0.04 0.00 0.00 61.00 62.54 1wzv s PRO 65 Cb -0.19 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1wzv s PRO 65 CO 0.42 -2.04 -0.03 -1.64 0.04 0.00 0.00 177.00 173.75 1wzv s MET 66 N -4.96 2.89 -0.05 4.56 -1.94 0.12 -4.97 119.30 114.96 1wzv s MET 66 Ca 0.63 -0.47 0.02 0.00 -1.71 0.00 0.00 55.69 54.16 1wzv s MET 66 Cb -0.17 -2.70 0.01 0.00 2.01 0.00 0.00 34.83 33.97 1wzv s MET 66 CO 0.56 0.68 -0.10 0.42 -0.01 0.00 0.00 175.02 176.57 1wzv s ILE 67 N -0.83 0.92 0.08 2.53 1.01 -1.26 -0.29 121.20 123.36 1wzv s ILE 67 Ca 0.13 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.41 1wzv s ILE 67 Cb -0.11 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1wzv s ILE 67 CO 0.02 0.30 -0.06 -1.59 0.00 0.00 0.00 174.94 173.61 1wzv s LYS 68 N 0.56 0.74 0.19 2.79 -2.85 -0.79 -4.41 119.74 115.96 1wzv s LYS 68 Ca -0.10 -1.22 -0.22 0.00 -1.00 0.00 0.00 55.97 53.42 1wzv s LYS 68 Cb -0.13 -0.12 -0.08 0.00 -2.06 0.00 0.00 37.83 35.44 1wzv s LYS 68 CO 0.02 -0.03 0.74 -0.06 0.10 0.00 0.00 175.35 176.12 1wzv s PHE 69 N -3.37 3.76 -0.07 1.78 0.08 0.37 -0.92 117.98 119.61 1wzv s PHE 69 Ca 0.07 1.49 0.18 0.00 0.12 0.00 0.00 56.93 58.79 1wzv s PHE 69 Cb 0.04 -2.68 -0.27 0.00 -0.57 0.00 0.00 43.02 39.54 1wzv s PHE 69 CO -0.05 0.42 0.31 0.25 -0.10 0.00 0.00 175.22 176.05 1wzv n THR 70 N 1.12 0.34 -2.72 0.64 -2.24 0.21 -4.38 114.28 107.25 1wzv n THR 70 Ca -0.04 -0.52 -0.42 0.00 -2.27 0.00 0.00 64.05 60.80 1wzv n THR 70 Cb 0.50 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 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 -3.05 4.87 0.33 4.28 2.01 -1.12 -4.98 115.64 117.99 1wzv s THR 71 Ca -0.07 2.03 -0.29 0.00 0.31 0.00 0.00 61.69 63.66 1wzv s THR 71 Cb 0.10 -4.31 -0.11 0.00 0.01 0.00 0.00 72.50 68.19 1wzv s THR 71 CO 0.76 0.15 1.56 -0.54 -0.69 0.00 0.00 174.62 175.86 1wzv s LYS 72 N 1.10 4.10 -0.01 4.92 -0.14 -1.26 -4.84 119.74 123.61 1wzv s LYS 72 Ca 0.51 2.60 -0.03 0.00 -1.36 0.00 0.00 55.97 57.69 1wzv s LYS 72 Cb -0.21 -2.99 -0.00 0.00 -1.68 0.00 0.00 37.83 32.95 1wzv s LYS 72 CO 0.26 -0.61 0.06 -1.50 -0.76 0.00 0.00 175.35 172.81 1wzv s ILE 73 N -0.48 0.05 -0.55 2.17 2.07 -1.26 -4.59 121.20 118.62 1wzv s ILE 73 Ca 0.59 -0.42 -0.09 0.00 -1.41 0.00 0.00 60.65 59.32 1wzv s ILE 73 Cb -0.48 -0.23 0.14 0.00 0.13 0.00 0.00 42.46 42.02 1wzv s ILE 73 CO 0.55 -0.23 0.42 -0.47 -1.91 0.00 0.00 174.94 173.30 1wzv s TYR 74 N -0.73 3.47 -0.19 3.50 5.04 -1.26 -4.86 117.35 122.32 1wzv s TYR 74 Ca -0.08 -2.01 -0.15 0.00 -2.44 0.00 0.00 57.07 52.39 1wzv s TYR 74 Cb -0.05 -3.51 0.05 0.00 0.35 0.00 0.00 41.96 38.81 1wzv s TYR 74 CO 0.00 -0.97 0.48 -1.58 -1.34 0.00 0.00 175.55 172.14 1wzv s HIS 75 N 0.98 -0.59 0.12 4.97 2.46 -1.26 -4.83 115.29 117.13 1wzv s HIS 75 Ca 0.09 1.35 0.33 0.00 0.47 0.00 0.00 55.06 57.31 1wzv s HIS 75 Cb -0.23 0.23 1.60 0.00 -0.13 0.00 0.00 32.58 34.05 1wzv s HIS 75 CO -0.02 -0.30 2.00 -1.00 -2.47 0.00 0.00 174.74 172.96 1wzv h PRO 76 N 5.90 0.00 -0.33 2.88 0.13 -1.89 -2.73 132.00 135.95 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 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wzv h PRO 76 CO 0.22 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.08 1wzv n ASN 77 N -2.79 3.83 -3.90 1.44 3.02 -1.26 -0.11 115.26 115.48 1wzv n ASN 77 Ca -0.01 -2.71 -0.22 0.00 -0.03 0.00 0.00 54.58 51.61 1wzv n ASN 77 Cb 0.17 -0.48 -0.17 0.00 -0.61 0.00 0.00 39.78 38.70 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 -2.28 0.67 0.91 2.41 1.01 -1.03 -4.44 120.40 117.65 1wzv s VAL 78 Ca 0.39 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.06 1wzv s VAL 78 Cb 0.29 -0.70 0.15 0.00 0.00 0.00 0.00 36.38 36.12 1wzv s VAL 78 CO 0.12 0.27 1.24 1.51 0.00 0.00 0.00 175.10 178.24 1wzv s ASP 79 N 1.10 3.61 0.00 3.32 1.47 -0.33 -4.47 116.67 121.37 1wzv s ASP 79 Ca -0.08 0.54 0.19 0.00 1.18 0.00 0.00 52.55 54.38 1wzv s ASP 79 Cb -0.14 -0.81 0.89 0.00 -0.34 0.00 0.00 42.92 42.52 1wzv s ASP 79 CO -0.01 -2.44 1.60 -0.62 0.68 0.00 0.00 175.17 174.38 1wzv n GLU 80 N -3.63 0.13 -0.28 2.11 1.02 -1.26 -0.66 120.64 118.07 1wzv n GLU 80 Ca 0.12 0.14 0.12 0.00 -0.02 0.00 0.00 57.16 57.51 1wzv n GLU 80 Cb 0.60 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.79 1wzv n GLU 80 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wzv n ASN 81 N -1.40 3.70 0.00 1.62 5.03 -1.26 -4.96 115.26 117.99 1wzv n ASN 81 Ca 0.07 -1.99 0.00 0.00 0.87 0.00 0.00 54.58 53.53 1wzv n ASN 81 Cb 0.19 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 38.58 1wzv n ASN 81 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wzv n GLY 82 N 1.54 0.65 3.78 7.41 0.00 0.17 -4.78 105.19 113.96 1wzv n GLY 82 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.06 3.76 0.11 1.61 -1.52 -1.26 -0.48 119.66 121.82 1wzv s GLN 83 Ca 0.00 1.60 0.03 0.00 -1.95 0.00 0.00 55.36 55.04 1wzv s GLN 83 Cb 0.00 -2.28 -0.04 0.00 -0.22 0.00 0.00 33.01 30.47 1wzv s GLN 83 CO 0.00 -0.51 -0.09 0.96 -0.25 0.00 0.00 175.29 175.39 1wzv s ILE 84 N -1.71 0.93 -0.71 1.08 -4.36 -1.26 -1.19 121.20 113.97 1wzv s ILE 84 Ca 0.65 -1.78 -0.03 0.00 -0.26 0.00 0.00 60.65 59.23 1wzv s ILE 84 Cb -0.24 -1.52 0.18 0.00 1.25 0.00 0.00 42.46 42.14 1wzv s ILE 84 CO 0.28 -0.66 0.55 0.00 0.24 0.00 0.00 174.94 175.35 1wzv s LEU 86 N -0.48 4.52 0.28 0.00 2.96 -1.26 -4.95 118.68 119.74 1wzv s LEU 86 Ca 0.20 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 1wzv s LEU 86 Cb -0.16 -2.71 0.66 0.00 0.50 0.00 0.00 46.19 44.48 1wzv s LEU 86 CO -0.06 -0.86 1.72 -0.65 -1.32 0.00 0.00 176.35 175.18 1wzv h PRO 87 N 8.95 0.46 0.00 0.98 0.11 -1.96 -1.61 132.00 138.93 1wzv h PRO 87 Ca -0.26 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1wzv h PRO 87 Cb 1.09 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1wzv h PRO 87 CO 0.93 0.30 -0.01 0.97 -0.21 0.00 0.00 178.00 179.98 1wzv h ILE 88 N 0.47 0.16 -0.28 4.15 2.10 -1.93 -1.41 117.51 120.77 1wzv h ILE 88 Ca 0.52 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 66.37 1wzv h ILE 88 Cb 0.92 1.08 0.00 0.00 -1.09 0.00 0.00 36.82 37.73 1wzv h ILE 88 CO -0.47 0.01 0.00 2.30 -1.08 0.00 0.00 178.15 178.91 1wzv n ILE 89 N -3.30 1.53 -1.77 2.19 -5.35 -0.61 -4.24 119.36 107.81 1wzv n ILE 89 Ca -0.03 -1.38 -0.41 0.00 -0.27 0.00 0.00 62.75 60.66 1wzv n ILE 89 Cb 0.11 0.18 -0.00 0.00 -1.74 0.00 0.00 39.64 38.19 1wzv n ILE 89 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1wzv n SER 90 N 0.00 3.79 -0.27 7.28 2.88 -0.53 -4.77 113.62 122.00 1wzv n SER 90 Ca 0.15 1.22 0.17 0.00 -1.33 0.00 0.00 58.87 59.07 1wzv n SER 90 Cb 0.61 -1.61 0.45 0.00 -0.75 0.00 0.00 64.21 62.90 1wzv n SER 90 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wzv h SER 91 N 3.23 0.53 0.28 -3.46 0.87 -1.94 0.49 113.55 113.55 1wzv h SER 91 Ca -0.50 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.10 1wzv h SER 91 Cb 1.24 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1wzv h SER 91 CO 0.66 0.21 -0.14 -0.08 -0.53 0.00 0.00 176.83 176.96 1wzv h GLU 92 N 0.53 -0.37 0.00 2.24 4.81 -1.93 -3.31 114.58 116.55 1wzv h GLU 92 Ca 0.49 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 1wzv h GLU 92 Cb 1.05 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1wzv h GLU 92 CO -0.22 -0.10 -0.23 0.09 -0.73 0.00 0.00 179.01 177.82 1wzv n ASN 93 N -5.16 0.54 -4.71 1.04 3.02 -0.84 -4.93 115.26 104.22 1wzv n ASN 93 Ca -0.10 0.33 -0.42 0.00 -0.03 0.00 0.00 54.58 54.36 1wzv n ASN 93 Cb 0.23 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 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 -3.08 3.05 -0.01 3.10 -0.11 0.17 -4.89 118.94 117.16 1wzv s TRP 94 Ca 0.10 0.67 0.07 0.00 1.22 0.00 0.00 56.10 58.16 1wzv s TRP 94 Cb 0.15 -3.88 -0.02 0.00 -1.50 0.00 0.00 33.47 28.22 1wzv s TRP 94 CO 0.63 -3.24 -0.22 0.15 -4.62 0.00 0.00 176.95 169.65 1wzv s LYS 95 N 1.27 1.71 0.00 5.86 1.02 -1.26 -5.00 119.74 123.33 1wzv s LYS 95 Ca 0.69 -0.80 0.15 0.00 0.02 0.00 0.00 55.97 56.04 1wzv s LYS 95 Cb -0.42 -1.68 0.71 0.00 -0.52 0.00 0.00 37.83 35.92 1wzv s LYS 95 CO 0.31 0.46 1.47 -0.35 -0.92 0.00 0.00 175.35 176.32 1wzv n PRO 96 N 2.45 0.09 0.09 -1.68 -0.04 -1.26 -1.81 135.00 132.83 1wzv n PRO 96 Ca -0.16 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.63 1wzv n PRO 96 Cb 0.53 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.89 1wzv n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wzv s THR 98 N -3.10 3.33 0.27 0.00 2.01 -0.75 -5.02 115.64 112.40 1wzv s THR 98 Ca 0.11 0.67 -0.04 0.00 0.31 0.00 0.00 61.69 62.73 1wzv s THR 98 Cb 0.13 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 1wzv s THR 98 CO 0.61 -0.02 0.52 -0.54 -0.69 0.00 0.00 174.62 174.49 1wzv s LYS 99 N 3.04 3.60 0.51 4.92 1.02 -1.26 -5.00 119.74 126.56 1wzv s LYS 99 Ca 0.72 -0.09 0.23 0.00 0.02 0.00 0.00 55.97 56.85 1wzv s LYS 99 Cb -0.36 -2.69 1.35 0.00 -0.52 0.00 0.00 37.83 35.61 1wzv s LYS 99 CO 0.30 0.25 2.08 1.15 -0.92 0.00 0.00 175.35 178.21 1wzv h THR 100 N 1.35 0.77 -0.79 2.17 2.02 -1.97 -1.55 112.91 114.91 1wzv h THR 100 Ca -0.48 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 1wzv h THR 100 Cb 1.19 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 68.84 1wzv h THR 100 CO 0.66 0.12 0.45 0.00 0.37 0.00 0.00 175.52 177.12 1wzv h GLN 102 N 1.10 0.83 -0.61 0.00 4.20 -1.70 -1.75 115.11 117.19 1wzv h GLN 102 Ca 0.28 -0.36 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 1wzv h GLN 102 Cb -0.00 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1wzv h GLN 102 CO -0.05 0.99 -0.01 0.28 -0.67 0.00 0.00 178.83 179.37 1wzv h VAL 103 N 0.71 1.27 -0.04 -0.54 2.07 -0.98 -1.28 116.25 117.46 1wzv h VAL 103 Ca 0.09 -1.17 -0.18 0.00 0.82 0.00 0.00 66.70 66.26 1wzv h VAL 103 Cb 0.80 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1wzv h VAL 103 CO 0.07 0.43 -0.74 -0.07 0.02 0.00 0.00 177.57 177.27 1wzv h LEU 104 N 0.98 0.32 -0.61 2.57 3.38 -0.91 -1.22 115.31 119.83 1wzv h LEU 104 Ca 0.17 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1wzv h LEU 104 Cb 0.58 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1wzv h LEU 104 CO 0.03 0.95 0.20 -0.08 0.09 0.00 0.00 178.44 179.64 1wzv h GLU 105 N 0.18 0.94 -0.25 1.13 4.81 -1.20 -0.88 114.58 119.31 1wzv h GLU 105 Ca -0.03 -0.20 -0.13 0.00 -0.13 0.00 0.00 59.36 58.88 1wzv h GLU 105 Cb 1.31 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1wzv h GLU 105 CO 0.12 0.83 -0.38 0.00 -0.73 0.00 0.00 179.01 178.85 1wzv h ALA 106 N 1.07 0.89 -0.60 2.92 0.00 -1.12 -1.48 119.26 120.93 1wzv h ALA 106 Ca 0.20 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1wzv h ALA 106 Cb 0.28 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1wzv h ALA 106 CO -0.01 0.63 0.21 1.25 0.00 0.00 0.00 179.25 181.33 1wzv h LEU 107 N 0.47 0.86 -0.56 0.00 5.85 -1.03 -0.51 115.31 120.39 1wzv h LEU 107 Ca 0.05 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1wzv h LEU 107 Cb 0.86 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 1wzv h LEU 107 CO 0.07 0.82 0.26 -1.13 -0.34 0.00 0.00 178.44 178.12 1wzv h ASN 108 N 0.84 0.33 -0.49 1.25 -1.24 -0.76 -1.49 115.58 114.02 1wzv h ASN 108 Ca 0.20 0.05 0.03 0.00 0.71 0.00 0.00 56.30 57.28 1wzv h ASN 108 Cb 0.25 -0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 1wzv h ASN 108 CO -0.01 0.22 0.28 0.58 -1.29 0.00 0.00 177.43 177.21 1wzv h VAL 109 N 0.48 1.03 -0.80 2.57 2.07 -1.04 -1.52 116.25 119.03 1wzv h VAL 109 Ca 0.26 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1wzv h VAL 109 Cb 0.23 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 1wzv h VAL 109 CO -0.22 0.10 0.49 0.25 0.02 0.00 0.00 177.57 178.21 1wzv h LEU 110 N 0.56 0.75 -0.01 2.57 6.46 -0.08 0.54 115.31 126.10 1wzv h LEU 110 Ca 0.20 0.02 -0.20 0.00 -0.12 0.00 0.00 57.88 57.78 1wzv h LEU 110 Cb 0.04 -0.14 0.02 0.00 -0.73 0.00 0.00 40.66 39.85 1wzv h LEU 110 CO -0.10 0.48 -0.78 0.58 -0.62 0.00 0.00 178.44 178.00 1wzv h VAL 111 N 0.89 1.36 -0.04 1.05 2.07 -1.25 -3.32 116.25 117.01 1wzv h VAL 111 Ca 0.35 -2.14 -0.11 0.00 0.82 0.00 0.00 66.70 65.63 1wzv h VAL 111 Cb 0.17 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1wzv h VAL 111 CO -0.17 0.64 -0.48 0.78 0.02 0.00 0.00 177.57 178.36 1wzv h ASN 112 N 0.11 0.11 -3.37 0.57 2.35 -0.87 -3.38 115.58 111.11 1wzv h ASN 112 Ca -0.10 -0.05 -0.62 0.00 -0.55 0.00 0.00 56.30 54.98 1wzv h ASN 112 Cb 1.46 -0.03 -0.41 0.00 0.05 0.00 0.00 38.32 39.39 1wzv h ASN 112 CO 0.15 0.58 -0.64 -0.13 -1.65 0.00 0.00 177.43 175.74 1wzv s ARG 113 N -3.96 2.10 0.37 0.81 1.81 0.14 -4.75 118.95 115.47 1wzv s ARG 113 Ca -0.03 -2.95 -0.26 0.00 -1.72 0.00 0.00 55.73 50.77 1wzv s ARG 113 Cb 0.13 -3.11 -0.12 0.00 -0.45 0.00 0.00 34.95 31.40 1wzv s ARG 113 CO 0.76 -1.24 1.08 -2.30 -0.68 0.00 0.00 175.30 172.92 1wzv n PRO 114 N 2.45 1.55 -3.67 3.54 -0.02 -1.26 -4.73 135.00 132.87 1wzv n PRO 114 Ca 0.16 0.55 -0.38 0.00 -2.02 0.00 0.00 63.50 61.81 1wzv n PRO 114 Cb 0.35 -2.07 -0.10 0.00 -0.02 0.00 0.00 33.50 31.66 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 -0.59 5.46 0.00 2.55 3.84 -1.26 -4.95 114.94 120.00 1wzv s ASN 115 Ca 0.60 -2.10 0.22 0.00 0.21 0.00 0.00 52.86 51.79 1wzv s ASN 115 Cb -0.59 -1.91 1.04 0.00 -0.55 0.00 0.00 41.25 39.23 1wzv s ASN 115 CO 0.59 -0.58 1.69 2.30 -2.79 0.00 0.00 177.10 178.31 1wzv n ILE 116 N 4.57 0.39 0.14 -5.21 -6.64 -1.26 -3.60 119.36 107.75 1wzv n ILE 116 Ca -0.03 0.10 -0.24 0.00 -1.77 0.00 0.00 62.75 60.81 1wzv n ILE 116 Cb 0.41 -0.74 -0.16 0.00 -1.44 0.00 0.00 39.64 37.71 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 0.52 -2.68 6.28 3.08 -1.99 -3.39 114.38 116.21 1wzv h ARG 117 Ca 0.00 -0.89 -0.60 0.00 0.07 0.00 0.00 59.98 58.56 1wzv h ARG 117 Cb 0.26 0.33 -0.40 0.00 0.08 0.00 0.00 29.97 30.23 1wzv h ARG 117 CO 0.00 1.42 -0.74 0.39 -1.07 0.00 0.00 179.97 179.97 1wzv n GLU 118 N -3.77 1.28 -3.22 0.04 4.71 -1.24 -5.12 120.64 113.33 1wzv n GLU 118 Ca -0.17 -3.99 -0.27 0.00 -0.01 0.00 0.00 57.16 52.72 1wzv n GLU 118 Cb 1.07 -2.01 -0.02 0.00 -1.01 0.00 0.00 31.44 29.47 1wzv n GLU 118 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1wzv s PRO 119 N -1.05 3.59 0.13 3.49 0.04 -1.25 -4.93 135.00 135.01 1wzv s PRO 119 Ca 0.30 -0.04 0.15 0.00 0.04 0.00 0.00 61.00 61.45 1wzv s PRO 119 Cb 0.02 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 1wzv s PRO 119 CO -0.16 0.12 1.03 -0.07 0.04 0.00 0.00 177.00 177.97 1wzv h LEU 120 N 1.20 0.00 -7.48 -3.56 4.07 -0.81 -3.42 115.31 105.31 1wzv h LEU 120 Ca -0.48 0.00 -0.64 0.00 0.08 0.00 0.00 57.88 56.84 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 0.64 0.60 -0.69 -0.13 -1.08 0.00 0.00 178.44 177.78 1wzv s ARG 121 N -2.91 1.60 0.28 1.13 0.52 -0.15 -4.87 118.95 114.55 1wzv s ARG 121 Ca -0.01 -2.11 -0.02 0.00 -0.52 0.00 0.00 55.73 53.08 1wzv s ARG 121 Cb 0.08 -3.09 0.39 0.00 0.52 0.00 0.00 34.95 32.85 1wzv s ARG 121 CO 0.79 -1.02 1.82 0.52 0.02 0.00 0.00 175.30 177.43 1wzv h MET 122 N 7.16 0.85 -0.57 3.54 2.86 -1.84 -2.06 114.93 124.87 1wzv h MET 122 Ca -0.06 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.37 1wzv h MET 122 Cb 0.96 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 1wzv h MET 122 CO 0.58 0.76 0.18 0.38 1.06 0.00 0.00 176.91 179.86 1wzv h ASP 123 N 0.82 0.78 -0.65 1.22 2.03 -1.98 0.07 116.42 118.72 1wzv h ASP 123 Ca 0.18 -0.12 -0.08 0.00 -0.73 0.00 0.00 57.03 56.28 1wzv h ASP 123 Cb 0.29 -0.20 -0.03 0.00 -0.83 0.00 0.00 39.33 38.56 1wzv h ASP 123 CO -0.00 0.74 0.09 -0.07 -1.03 0.00 0.00 179.24 178.96 1wzv h LEU 124 N 0.83 1.05 -0.44 0.15 4.07 -1.86 -0.81 115.31 118.30 1wzv h LEU 124 Ca 0.19 -0.27 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 1wzv h LEU 124 Cb 0.24 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 1wzv h LEU 124 CO -0.01 1.06 0.15 0.00 -1.08 0.00 0.00 178.44 178.55 1wzv h ALA 125 N 1.03 0.58 0.01 1.53 0.00 -0.90 0.19 119.26 121.70 1wzv h ALA 125 Ca 0.20 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1wzv h ALA 125 Cb 0.46 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1wzv h ALA 125 CO 0.02 0.22 -0.05 -0.44 0.00 0.00 0.00 179.25 179.00 1wzv h ASP 126 N 0.58 -0.14 -0.25 0.00 3.32 -0.93 -2.22 116.42 116.78 1wzv h ASP 126 Ca 0.14 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.24 1wzv h ASP 126 Cb 0.25 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1wzv h ASP 126 CO -0.01 -0.08 0.08 0.25 -1.72 0.00 0.00 179.24 177.77 1wzv h LEU 127 N -0.10 0.09 -1.16 1.55 5.85 -1.02 0.22 115.31 120.74 1wzv h LEU 127 Ca 0.02 0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.90 1wzv h LEU 127 Cb 0.12 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 1wzv h LEU 127 CO -0.04 0.08 0.60 0.25 -0.34 0.00 0.00 178.44 178.99 1wzv h LEU 128 N 0.20 0.78 0.00 2.25 5.85 -0.44 0.15 115.31 124.09 1wzv h LEU 128 Ca 0.11 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1wzv h LEU 128 Cb 0.08 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1wzv h LEU 128 CO -0.12 0.39 -0.00 0.74 -0.34 0.00 0.00 178.44 179.12 1wzv h THR 129 N 0.82 1.62 -0.13 1.05 2.02 -1.07 -3.23 112.91 113.99 1wzv h THR 129 Ca 0.48 -1.85 -0.18 0.00 0.77 0.00 0.00 66.41 65.62 1wzv h THR 129 Cb 0.63 2.88 -0.00 0.00 -1.74 0.00 0.00 68.15 69.92 1wzv h THR 129 CO -0.24 0.48 -0.67 1.56 0.37 0.00 0.00 175.52 177.02 1wzv h GLN 130 N -0.79 0.54 -1.70 6.66 1.08 -0.67 -3.40 115.11 116.82 1wzv h GLN 130 Ca -0.00 -0.40 -0.35 0.00 -1.45 0.00 0.00 58.65 56.44 1wzv h GLN 130 Cb 0.79 0.07 -0.27 0.00 -0.05 0.00 0.00 27.48 28.02 1wzv h GLN 130 CO 0.00 1.03 -0.71 1.21 -0.95 0.00 0.00 178.83 179.41 1wzv s ASN 131 N -6.98 0.15 0.47 1.46 3.84 0.49 -5.02 114.94 109.35 1wzv s ASN 131 Ca -0.07 -2.16 0.21 0.00 0.21 0.00 0.00 52.86 51.05 1wzv s ASN 131 Cb 0.10 0.76 1.16 0.00 -0.55 0.00 0.00 41.25 42.73 1wzv s ASN 131 CO 0.85 -0.14 1.99 -0.65 -2.79 0.00 0.00 177.10 176.36 1wzv h PRO 132 N 5.76 0.00 -0.09 0.43 0.11 -1.63 -1.78 132.00 134.79 1wzv h PRO 132 Ca 0.14 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.15 1wzv h PRO 132 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1wzv h PRO 132 CO 0.19 0.19 -0.30 1.49 -0.21 0.00 0.00 178.00 179.36 1wzv h GLU 133 N 0.00 0.36 -0.95 1.05 4.57 -1.90 -1.21 114.58 116.50 1wzv h GLU 133 Ca -0.00 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1wzv h GLU 133 Cb 0.41 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.00 1wzv h GLU 133 CO 0.02 0.89 0.59 1.25 -1.18 0.00 0.00 179.01 180.59 1wzv h LEU 134 N -0.09 1.12 -0.46 1.64 5.85 -1.88 -0.38 115.31 121.10 1wzv h LEU 134 Ca -0.01 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1wzv h LEU 134 Cb 0.93 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1wzv h LEU 134 CO 0.06 0.84 0.19 0.15 -0.34 0.00 0.00 178.44 179.34 1wzv h PHE 135 N 1.30 0.34 -0.70 1.25 3.57 -1.32 -1.45 116.94 119.93 1wzv h PHE 135 Ca 0.34 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.80 1wzv h PHE 135 Cb -0.10 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 1wzv h PHE 135 CO 0.00 0.14 0.19 -0.09 -2.23 0.00 0.00 178.31 176.32 1wzv h ARG 136 N 0.38 1.10 -0.27 1.11 2.43 -0.39 0.26 114.38 119.00 1wzv h ARG 136 Ca 0.21 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1wzv h ARG 136 Cb 0.18 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1wzv h ARG 136 CO -0.19 0.96 0.15 0.87 -1.51 0.00 0.00 179.97 180.25 1wzv h LYS 137 N 1.05 0.37 -0.53 0.20 1.57 -0.90 0.25 116.57 118.58 1wzv h LYS 137 Ca 0.22 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1wzv h LYS 137 Cb 0.34 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1wzv h LYS 137 CO -0.00 0.31 0.34 -0.91 -0.57 0.00 0.00 179.45 178.62 1wzv h ASN 138 N 0.33 0.61 -0.28 0.86 2.35 -0.89 -1.93 115.58 116.63 1wzv h ASN 138 Ca 0.10 -0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 1wzv h ASN 138 Cb 0.04 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1wzv h ASN 138 CO -0.02 0.46 -0.40 0.00 -1.65 0.00 0.00 177.43 175.82 1wzv h ALA 139 N 1.18 0.65 -0.30 -0.83 0.00 -0.79 -1.75 119.26 117.42 1wzv h ALA 139 Ca 0.19 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1wzv h ALA 139 Cb -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1wzv h ALA 139 CO -0.04 0.67 0.18 1.49 0.00 0.00 0.00 179.25 181.55 1wzv h GLU 140 N 0.67 0.41 -0.16 0.00 4.81 -0.85 0.23 114.58 119.69 1wzv h GLU 140 Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1wzv h GLU 140 Cb 0.97 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1wzv h GLU 140 CO 0.09 0.32 0.10 1.49 -0.73 0.00 0.00 179.01 180.29 1wzv h GLU 141 N 0.38 0.21 -0.60 1.92 4.81 -1.22 0.76 114.58 120.83 1wzv h GLU 141 Ca 0.11 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1wzv h GLU 141 Cb 0.02 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1wzv h GLU 141 CO -0.02 0.14 0.09 0.35 -0.73 0.00 0.00 179.01 178.84 1wzv h PHE 142 N 0.22 1.03 -0.06 0.92 3.57 -1.18 -1.04 116.94 120.40 1wzv h PHE 142 Ca 0.06 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1wzv h PHE 142 Cb -0.02 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.43 1wzv h PHE 142 CO -0.07 0.88 0.02 1.15 -2.23 0.00 0.00 178.31 178.06 1wzv h THR 143 N 0.92 1.15 -0.13 4.41 2.02 -0.26 -0.56 112.91 120.46 1wzv h THR 143 Ca 0.19 -0.45 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 1wzv h THR 143 Cb 0.41 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1wzv h THR 143 CO 0.01 0.13 -0.26 -0.07 0.37 0.00 0.00 175.52 175.70 1wzv h LEU 144 N -0.09 0.23 -0.05 2.58 3.38 -0.75 0.13 115.31 120.75 1wzv h LEU 144 Ca 0.02 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1wzv h LEU 144 Cb 0.18 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1wzv h LEU 144 CO -0.00 0.50 -0.32 -0.09 0.09 0.00 0.00 178.44 178.61 1wzv h ARG 145 N 0.21 0.30 0.00 1.13 2.43 -1.05 -3.40 114.38 114.00 1wzv h ARG 145 Ca 0.03 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1wzv h ARG 145 Cb 0.58 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1wzv h ARG 145 CO 0.04 0.92 -1.18 1.19 -1.51 0.00 0.00 179.97 179.43 1wzv n PHE 146 N -4.43 0.00 -1.44 2.20 3.72 -0.23 -5.04 117.46 112.24 1wzv n PHE 146 Ca -0.09 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.97 1wzv n PHE 146 Cb 0.51 -0.17 0.09 0.00 -0.94 0.00 0.00 39.48 38.97 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 -2.85 2.33 0.18 1.37 0.00 0.44 -4.67 107.32 104.12 1wzv s GLY 147 Ca -0.01 0.86 -0.25 0.00 0.00 0.00 0.00 44.72 45.32 1wzv s GLY 147 CO 0.44 1.27 0.79 0.14 0.00 0.00 0.00 173.10 175.74 1wzv s VAL 148 N -2.01 4.36 0.06 1.40 1.01 0.45 -4.85 120.40 120.82 1wzv s VAL 148 Ca 0.74 1.70 -0.37 0.00 0.00 0.00 0.00 61.98 64.05 1wzv s VAL 148 Cb -0.29 -4.13 -0.17 0.00 0.00 0.00 0.00 36.38 31.80 1wzv s VAL 148 CO 0.45 0.49 1.35 0.47 0.00 0.00 0.00 175.10 177.86 1wzv n ASP 149 N 1.49 1.62 -4.64 3.32 8.00 -1.26 0.54 116.55 125.62 1wzv n ASP 149 Ca -0.05 1.12 -0.43 0.00 0.71 0.00 0.00 54.79 56.14 1wzv n ASP 149 Cb 0.49 -1.18 -0.02 0.00 -0.02 0.00 0.00 41.12 40.39 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 0.64 3.96 0.00 -1.24 6.06 -1.26 -4.47 118.95 122.65 1wzv s ARG 150 Ca 0.86 1.72 0.00 0.00 -2.50 0.00 0.00 55.73 55.80 1wzv s ARG 150 Cb -0.97 -3.96 0.00 0.00 0.06 0.00 0.00 34.95 30.07 1wzv s ARG 150 CO 0.48 -1.08 0.29 -2.30 -2.50 0.00 0.00 175.30 170.19