#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wnl n ASP -4 N 0.00 1.62 0.06 -2.24 8.00 -1.26 -3.62 116.55 119.10 2wnl n ASP -4 Ca 0.00 -1.32 0.03 0.00 0.71 0.00 0.00 54.79 54.21 2wnl n ASP -4 Cb 0.00 0.16 0.40 0.00 -0.02 0.00 0.00 41.12 41.66 2wnl n ASP -4 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2wnl h ASP -3 N 2.21 0.37 -0.86 -2.24 3.32 -2.05 -2.84 116.42 114.32 2wnl h ASP -3 Ca 0.00 -0.04 0.18 0.00 0.02 0.00 0.00 57.03 57.19 2wnl h ASP -3 Cb 0.62 -0.09 -0.11 0.00 0.22 0.00 0.00 39.33 39.97 2wnl h ASP -3 CO 0.00 0.37 0.40 0.44 -1.72 0.00 0.00 179.24 178.73 2wnl h ASP -2 N 0.40 0.39 -0.37 6.45 5.19 -2.00 0.29 116.42 126.76 2wnl h ASP -2 Ca 0.10 0.13 -0.14 0.00 -0.62 0.00 0.00 57.03 56.49 2wnl h ASP -2 Cb 0.15 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 2wnl h ASP -2 CO -0.00 0.09 -0.32 0.11 -3.12 0.00 0.00 179.24 176.00 2wnl h LYS -1 N 0.48 0.88 -0.46 3.56 1.57 -1.75 -2.78 116.57 118.06 2wnl h LYS -1 Ca 0.51 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2wnl h LYS -1 Cb 0.86 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 2wnl h LYS -1 CO -0.46 1.09 0.19 -0.07 -0.57 0.00 0.00 179.45 179.63 2wnl h LEU 0 N 0.68 0.59 0.06 2.94 3.38 -1.07 -2.39 115.31 119.50 2wnl h LEU 0 Ca 0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wnl h LEU 0 Cb 0.90 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2wnl h LEU 0 CO 0.08 0.53 -0.03 0.45 0.09 0.00 0.00 178.44 179.56 2wnl h HIS 1 N 0.65 -0.08 -0.64 1.13 3.86 -0.46 0.06 115.15 119.67 2wnl h HIS 1 Ca 0.16 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.49 2wnl h HIS 1 Cb 0.12 0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.57 2wnl h HIS 1 CO 0.01 0.47 0.43 0.66 0.86 0.00 0.00 177.93 180.36 2wnl h SER 2 N -0.70 0.30 0.10 2.45 4.64 -1.52 0.50 113.55 119.32 2wnl h SER 2 Ca -0.01 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wnl h SER 2 Cb 0.58 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2wnl h SER 2 CO 0.01 0.17 -0.05 -0.61 -0.87 0.00 0.00 176.83 175.49 2wnl h GLN 3 N 0.33 -0.13 -0.64 4.77 4.15 -1.30 -2.00 115.11 120.29 2wnl h GLN 3 Ca 0.30 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.74 2wnl h GLN 3 Cb 0.74 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.43 2wnl h GLN 3 CO -0.08 0.17 0.42 0.00 -1.93 0.00 0.00 178.83 177.42 2wnl h ALA 4 N 0.42 0.81 -0.45 3.38 0.00 0.56 -0.66 119.26 123.33 2wnl h ALA 4 Ca -0.01 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2wnl h ALA 4 Cb 0.36 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2wnl h ALA 4 CO 0.02 0.25 0.14 -0.91 0.00 0.00 0.00 179.25 178.75 2wnl h ASN 5 N 0.87 0.12 -0.38 0.00 2.35 -0.07 -0.63 115.58 117.84 2wnl h ASN 5 Ca 0.23 0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 2wnl h ASN 5 Cb -0.09 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2wnl h ASN 5 CO -0.05 0.10 -0.12 0.25 -1.65 0.00 0.00 177.43 175.96 2wnl h LEU 6 N 0.30 0.77 -0.97 1.61 5.85 -0.80 0.11 115.31 122.17 2wnl h LEU 6 Ca 0.22 -0.38 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 2wnl h LEU 6 Cb 0.23 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2wnl h LEU 6 CO -0.24 0.97 -0.05 0.24 -0.34 0.00 0.00 178.44 179.02 2wnl h MET 7 N 0.56 0.69 -0.49 1.25 2.86 -1.00 -0.39 114.93 118.41 2wnl h MET 7 Ca 0.09 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.43 2wnl h MET 7 Cb 0.65 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 2wnl h MET 7 CO 0.04 0.74 -0.14 -0.09 1.06 0.00 0.00 176.91 178.53 2wnl h ARG 8 N 0.64 0.96 -0.16 1.72 2.43 -0.86 -1.99 114.38 117.12 2wnl h ARG 8 Ca 0.12 -0.38 -0.03 0.00 -0.81 0.00 0.00 59.98 58.88 2wnl h ARG 8 Cb 0.48 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2wnl h ARG 8 CO 0.02 1.05 -0.01 1.25 -1.51 0.00 0.00 179.97 180.77 2wnl h LEU 9 N 0.82 0.29 -0.48 3.80 5.85 -0.42 -0.84 115.31 124.34 2wnl h LEU 9 Ca 0.12 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.52 2wnl h LEU 9 Cb 0.70 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2wnl h LEU 9 CO 0.05 0.55 0.32 0.11 -0.34 0.00 0.00 178.44 179.13 2wnl h LYS 10 N 0.03 0.62 -0.15 1.25 1.57 -1.11 -2.40 116.57 116.38 2wnl h LYS 10 Ca 0.04 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wnl h LYS 10 Cb 0.41 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2wnl h LYS 10 CO 0.01 0.41 0.08 1.03 -0.57 0.00 0.00 179.45 180.41 2wnl h SER 11 N 0.64 0.20 -0.28 0.86 0.87 -1.29 0.06 113.55 114.61 2wnl h SER 11 Ca 0.18 -0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.66 2wnl h SER 11 Cb -0.07 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2wnl h SER 11 CO -0.04 0.24 0.19 0.44 -0.53 0.00 0.00 176.83 177.13 2wnl h ASP 12 N 0.14 0.23 0.08 6.23 3.45 -1.06 0.22 116.42 125.71 2wnl h ASP 12 Ca 0.05 -0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.36 2wnl h ASP 12 Cb 0.09 -0.05 0.01 0.00 -0.56 0.00 0.00 39.33 38.81 2wnl h ASP 12 CO -0.01 0.16 -0.72 -0.07 -1.57 0.00 0.00 179.24 177.03 2wnl h LEU 13 N 0.27 0.27 0.00 1.55 3.38 -1.13 -3.38 115.31 116.26 2wnl h LEU 13 Ca 0.11 -0.91 -0.15 0.00 0.09 0.00 0.00 57.88 57.03 2wnl h LEU 13 Cb 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2wnl h LEU 13 CO -0.02 1.33 -0.89 -0.26 0.09 0.00 0.00 178.44 178.68 2wnl h PHE 14 N -0.60 0.00 0.34 1.13 0.05 -0.88 -3.39 116.94 113.58 2wnl h PHE 14 Ca -0.15 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.63 2wnl h PHE 14 Cb 1.44 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.39 2wnl h PHE 14 CO 0.20 1.10 -0.16 -0.91 -0.18 0.00 0.00 178.31 178.35 2wnl h ASN 15 N -1.00 -0.39 -0.02 2.17 2.35 -0.73 -3.31 115.58 114.65 2wnl h ASN 15 Ca -0.22 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.55 2wnl h ASN 15 Cb 1.06 0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 2wnl h ASN 15 CO -0.13 -0.04 0.07 0.03 -1.65 0.00 0.00 177.43 175.71 2wnl h ARG 16 N -0.93 0.00 -6.53 0.81 2.47 -1.65 -3.44 114.38 105.10 2wnl h ARG 16 Ca -0.05 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 58.03 2wnl h ARG 16 Cb 0.35 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 28.50 2wnl h ARG 16 CO 0.08 0.00 -0.80 -1.12 0.56 0.00 0.00 179.97 178.68 2wnl s SER 17 N -5.32 3.53 0.51 7.04 0.01 -1.25 -5.10 113.70 113.12 2wnl s SER 17 Ca -0.05 -0.87 -0.22 0.00 1.31 0.00 0.00 55.95 56.12 2wnl s SER 17 Cb 0.13 -0.30 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 2wnl s SER 17 CO 0.43 0.11 1.27 -2.84 0.41 0.00 0.00 173.24 172.62 2wnl s PRO 18 N -2.83 3.43 1.05 12.44 0.02 -1.26 -4.83 135.00 143.01 2wnl s PRO 18 Ca 0.23 2.03 -0.12 0.00 0.02 0.00 0.00 61.00 63.16 2wnl s PRO 18 Cb -0.07 -2.33 0.22 0.00 0.02 0.00 0.00 34.50 32.34 2wnl s PRO 18 CO 0.11 -0.90 1.07 0.00 -0.33 0.00 0.00 177.00 176.95 2wnl s MET 19 N -2.81 -0.04 -0.07 5.54 0.23 -1.26 -4.99 119.30 115.89 2wnl s MET 19 Ca 0.68 1.03 -0.30 0.00 -1.03 0.00 0.00 55.69 56.07 2wnl s MET 19 Cb -0.35 -1.64 -0.02 0.00 -1.53 0.00 0.00 34.83 31.28 2wnl s MET 19 CO 0.42 -3.19 1.08 -0.47 -2.03 0.00 0.00 175.02 170.83 2wnl s TYR 20 N -2.60 3.42 -1.70 3.16 6.04 -1.26 -4.94 117.35 119.46 2wnl s TYR 20 Ca 0.67 1.47 0.29 0.00 0.04 0.00 0.00 57.07 59.54 2wnl s TYR 20 Cb -0.23 -3.27 1.24 0.00 -1.04 0.00 0.00 41.96 38.66 2wnl s TYR 20 CO 0.61 -0.61 1.86 -0.35 -1.54 0.00 0.00 175.55 175.53 2wnl n PRO 21 N 4.92 0.75 0.00 4.97 -0.04 -1.26 -4.74 135.00 139.60 2wnl n PRO 21 Ca 0.09 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2wnl n PRO 21 Cb 0.48 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2wnl n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wnl n GLY 22 N 1.26 1.79 3.76 0.55 0.00 -1.26 -5.07 105.19 106.22 2wnl n GLY 22 Ca 0.15 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 2wnl n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wnl s PRO 23 N -2.05 2.13 0.21 1.61 0.04 -1.26 -5.07 135.00 130.60 2wnl s PRO 23 Ca 0.00 1.11 -0.03 0.00 0.04 0.00 0.00 61.00 62.12 2wnl s PRO 23 Cb 0.00 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2wnl s PRO 23 CO 0.00 -1.72 0.19 0.95 0.04 0.00 0.00 177.00 176.47 2wnl s THR 24 N -2.91 0.00 0.42 1.26 -4.23 -0.85 -4.99 115.64 104.34 2wnl s THR 24 Ca 0.61 -1.89 0.09 0.00 -1.18 0.00 0.00 61.69 59.33 2wnl s THR 24 Cb -0.17 -2.44 0.28 0.00 1.34 0.00 0.00 72.50 71.51 2wnl s THR 24 CO 0.56 -0.01 2.05 0.11 -0.54 0.00 0.00 174.62 176.80 2wnl h LYS 25 N 2.56 0.47 0.01 3.99 1.57 -1.92 -1.18 116.57 122.07 2wnl h LYS 25 Ca -0.34 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.18 2wnl h LYS 25 Cb 1.25 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2wnl h LYS 25 CO 0.50 0.31 -0.98 -0.44 -0.57 0.00 0.00 179.45 178.27 2wnl h ASP 26 N 0.48 0.56 -2.19 0.86 3.32 -1.97 -3.39 116.42 114.10 2wnl h ASP 26 Ca 0.16 -0.46 -0.59 0.00 0.02 0.00 0.00 57.03 56.16 2wnl h ASP 26 Cb 0.06 -0.17 -0.42 0.00 0.22 0.00 0.00 39.33 39.02 2wnl h ASP 26 CO -0.04 1.27 -0.66 -0.67 -1.72 0.00 0.00 179.24 177.42 2wnl n ASP 27 N -3.74 3.57 -4.80 6.45 -0.08 -0.55 -5.09 116.55 112.31 2wnl n ASP 27 Ca -0.07 -3.43 -0.32 0.00 -1.51 0.00 0.00 54.79 49.45 2wnl n ASP 27 Cb 0.85 -0.64 0.03 0.00 2.34 0.00 0.00 41.12 43.71 2wnl n ASP 27 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 2wnl s PRO 28 N -2.61 3.05 -0.09 -0.67 0.04 -0.56 -2.01 135.00 132.15 2wnl s PRO 28 Ca 0.42 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.66 2wnl s PRO 28 Cb 0.19 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.74 2wnl s PRO 28 CO -0.05 -1.03 -0.16 -1.17 0.04 0.00 0.00 177.00 174.63 2wnl s LEU 29 N -4.93 1.78 -0.34 -3.56 0.20 -0.56 -4.94 118.68 106.32 2wnl s LEU 29 Ca 0.63 -0.41 -0.18 0.00 0.69 0.00 0.00 54.13 54.86 2wnl s LEU 29 Cb -0.16 -1.07 -0.01 0.00 -0.43 0.00 0.00 46.19 44.52 2wnl s LEU 29 CO 0.44 0.06 0.49 -0.89 -0.29 0.00 0.00 176.35 176.15 2wnl s THR 30 N 0.71 5.04 -0.13 3.68 2.01 -1.26 -1.45 115.64 124.24 2wnl s THR 30 Ca -0.12 0.36 -0.02 0.00 0.31 0.00 0.00 61.69 62.22 2wnl s THR 30 Cb -0.16 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 2wnl s THR 30 CO 0.03 -0.17 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.05 2wnl s VAL 31 N 2.34 3.76 -0.12 3.82 1.01 -0.71 -4.43 120.40 126.06 2wnl s VAL 31 Ca 0.18 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 2wnl s VAL 31 Cb -0.16 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 2wnl s VAL 31 CO 0.13 0.52 -0.02 -0.89 0.00 0.00 0.00 175.10 174.84 2wnl s THR 32 N 0.06 4.10 -0.01 3.92 2.01 0.23 -1.53 115.64 124.41 2wnl s THR 32 Ca -0.01 -0.31 0.08 0.00 0.31 0.00 0.00 61.69 61.76 2wnl s THR 32 Cb -0.14 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 2wnl s THR 32 CO 0.03 0.55 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.50 2wnl s LEU 33 N -0.31 2.07 -0.09 4.42 1.43 -0.01 -2.12 118.68 124.06 2wnl s LEU 33 Ca 0.06 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.64 2wnl s LEU 33 Cb -0.12 -1.28 0.04 0.00 0.03 0.00 0.00 46.19 44.86 2wnl s LEU 33 CO 0.02 0.30 0.22 -0.83 0.23 0.00 0.00 176.35 176.29 2wnl s GLY 34 N -0.68 -0.12 -0.11 -3.19 0.00 -1.00 -4.37 107.32 97.84 2wnl s GLY 34 Ca 0.10 0.90 -0.05 0.00 0.00 0.00 0.00 44.72 45.67 2wnl s GLY 34 CO -0.01 1.13 0.06 -1.36 0.00 0.00 0.00 173.10 172.93 2wnl s PHE 35 N 1.13 3.32 -0.30 1.90 0.08 -1.26 -0.39 117.98 122.47 2wnl s PHE 35 Ca -0.08 0.28 0.02 0.00 0.12 0.00 0.00 56.93 57.27 2wnl s PHE 35 Cb -0.10 -1.89 0.07 0.00 -0.57 0.00 0.00 43.02 40.54 2wnl s PHE 35 CO -0.07 0.50 -0.03 0.99 -0.10 0.00 0.00 175.22 176.51 2wnl s THR 36 N -0.71 2.37 -0.18 0.64 2.01 -0.31 -1.65 115.64 117.82 2wnl s THR 36 Ca 0.12 -1.82 -0.26 0.00 0.31 0.00 0.00 61.69 60.03 2wnl s THR 36 Cb -0.12 -2.51 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 2wnl s THR 36 CO 0.02 -0.23 0.88 -0.22 -0.69 0.00 0.00 174.62 174.38 2wnl s LEU 37 N 1.07 4.16 -0.23 4.42 2.96 -0.77 -1.28 118.68 129.02 2wnl s LEU 37 Ca -0.02 1.22 -0.08 0.00 -0.22 0.00 0.00 54.13 55.04 2wnl s LEU 37 Cb -0.20 -3.30 -0.18 0.00 0.50 0.00 0.00 46.19 43.01 2wnl s LEU 37 CO -0.05 -0.45 -0.07 0.00 -1.32 0.00 0.00 176.35 174.46 2wnl n GLN 38 N 5.42 0.64 -3.62 1.98 6.02 0.17 -3.43 117.38 124.56 2wnl n GLN 38 Ca 0.06 0.27 -0.14 0.00 -0.01 0.00 0.00 57.00 57.18 2wnl n GLN 38 Cb 0.48 -1.59 -0.07 0.00 1.02 0.00 0.00 30.24 30.08 2wnl n GLN 38 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2wnl s ASP 39 N -6.95 -0.72 -0.50 1.08 2.15 -0.78 0.18 116.67 111.12 2wnl s ASP 39 Ca -0.32 1.35 -0.18 0.00 0.43 0.00 0.00 52.55 53.83 2wnl s ASP 39 Cb 0.10 1.36 0.07 0.00 -0.30 0.00 0.00 42.92 44.14 2wnl s ASP 39 CO 0.61 -0.27 0.54 -0.63 -0.17 0.00 0.00 175.17 175.25 2wnl s ILE 40 N 0.26 5.01 0.02 4.11 1.01 -1.26 -0.73 121.20 129.61 2wnl s ILE 40 Ca -0.01 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 2wnl s ILE 40 Cb -0.05 -4.25 -0.27 0.00 0.01 0.00 0.00 42.46 37.91 2wnl s ILE 40 CO 0.01 -0.74 0.92 0.58 0.00 0.00 0.00 174.94 175.71 2wnl h VAL 41 N 5.83 1.23 -2.23 2.92 2.07 -1.45 -3.42 116.25 121.20 2wnl h VAL 41 Ca -0.28 -2.87 -0.06 0.00 0.82 0.00 0.00 66.70 64.31 2wnl h VAL 41 Cb 1.10 2.78 -0.22 0.00 -1.52 0.00 0.00 31.29 33.43 2wnl h VAL 41 CO 0.94 0.82 0.00 -0.75 0.02 0.00 0.00 177.57 178.61 2wnl s LYS 42 N -2.63 0.71 -0.15 1.57 2.20 -1.20 -4.97 119.74 115.28 2wnl s LYS 42 Ca -0.07 0.89 0.01 0.00 -0.36 0.00 0.00 55.97 56.44 2wnl s LYS 42 Cb 0.07 0.32 0.02 0.00 -1.51 0.00 0.00 37.83 36.73 2wnl s LYS 42 CO 0.86 -0.09 -0.18 0.00 -0.36 0.00 0.00 175.35 175.57 2wnl s ALA 43 N 0.48 2.05 -0.32 3.13 0.00 -1.26 0.29 121.76 126.13 2wnl s ALA 43 Ca -0.01 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 50.87 2wnl s ALA 43 Cb -0.05 -1.05 0.03 0.00 0.00 0.00 0.00 23.12 22.05 2wnl s ALA 43 CO -0.01 -0.26 0.09 0.34 0.00 0.00 0.00 175.76 175.91 2wnl s ASP 44 N 1.23 5.20 0.00 0.00 3.68 0.65 -4.97 116.67 122.46 2wnl s ASP 44 Ca 0.01 -0.96 0.14 0.00 2.13 0.00 0.00 52.55 53.88 2wnl s ASP 44 Cb -0.14 -1.86 0.46 0.00 -1.45 0.00 0.00 42.92 39.93 2wnl s ASP 44 CO -0.09 -0.27 1.36 -1.54 0.13 0.00 0.00 175.17 174.77 2wnl n SER 45 N 4.83 1.88 0.00 -0.34 3.41 -1.26 -0.75 113.62 121.39 2wnl n SER 45 Ca -0.13 -1.91 0.01 0.00 -0.26 0.00 0.00 58.87 56.57 2wnl n SER 45 Cb 0.46 -0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 64.10 2wnl n SER 45 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2wnl n SER 46 N 0.50 0.51 -0.03 4.04 3.41 -1.26 -4.46 113.62 116.34 2wnl n SER 46 Ca 0.14 0.22 0.01 0.00 -0.26 0.00 0.00 58.87 58.98 2wnl n SER 46 Cb 0.32 0.71 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 2wnl n SER 46 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wnl n THR 47 N -2.72 0.00 -3.62 6.66 -2.24 -1.23 -5.03 114.28 106.09 2wnl n THR 47 Ca -0.13 -0.49 -0.25 0.00 -2.27 0.00 0.00 64.05 60.92 2wnl n THR 47 Cb 0.84 1.02 0.04 0.00 -2.10 0.00 0.00 70.33 70.12 2wnl n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wnl n ASN 48 N -0.40 -3.91 -4.21 3.42 3.02 0.07 -4.94 115.26 108.32 2wnl n ASN 48 Ca 0.01 -0.89 -0.26 0.00 -0.03 0.00 0.00 54.58 53.40 2wnl n ASN 48 Cb 0.03 -3.93 -0.15 0.00 -0.61 0.00 0.00 39.78 35.12 2wnl n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2wnl s GLU 49 N -5.71 1.57 0.01 3.52 2.02 -0.95 -1.62 118.70 117.54 2wnl s GLU 49 Ca 0.29 -0.73 0.07 0.00 0.02 0.00 0.00 54.97 54.63 2wnl s GLU 49 Cb -0.08 -1.53 -0.02 0.00 0.10 0.00 0.00 34.13 32.59 2wnl s GLU 49 CO 0.82 0.42 -0.22 0.08 0.02 0.00 0.00 175.26 176.38 2wnl s VAL 50 N -0.50 1.76 -0.21 2.63 1.01 -0.84 -0.25 120.40 124.00 2wnl s VAL 50 Ca 0.08 -1.05 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 2wnl s VAL 50 Cb -0.08 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 2wnl s VAL 50 CO -0.00 0.40 -0.01 -1.81 0.00 0.00 0.00 175.10 173.68 2wnl s ASP 51 N -0.76 4.72 0.05 3.32 1.11 0.15 -2.02 116.67 123.23 2wnl s ASP 51 Ca 0.09 -0.25 0.07 0.00 0.18 0.00 0.00 52.55 52.64 2wnl s ASP 51 Cb -0.09 -1.81 -0.03 0.00 1.07 0.00 0.00 42.92 42.06 2wnl s ASP 51 CO 0.00 0.04 -0.17 -0.76 1.18 0.00 0.00 175.17 175.46 2wnl s LEU 52 N 1.14 2.69 -0.18 1.23 1.43 -0.16 -1.03 118.68 123.80 2wnl s LEU 52 Ca 0.03 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2wnl s LEU 52 Cb -0.14 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.51 2wnl s LEU 52 CO 0.01 0.25 -0.13 -0.69 0.23 0.00 0.00 176.35 176.01 2wnl s VAL 53 N -0.97 2.73 0.16 -1.59 1.01 0.10 -0.97 120.40 120.87 2wnl s VAL 53 Ca 0.15 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 2wnl s VAL 53 Cb -0.11 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.10 2wnl s VAL 53 CO 0.06 0.50 0.34 -0.72 0.00 0.00 0.00 175.10 175.28 2wnl s TYR 54 N 1.06 0.18 -0.04 5.22 -0.85 -0.80 -0.65 117.35 121.47 2wnl s TYR 54 Ca -0.00 -0.54 0.06 0.00 -0.52 0.00 0.00 57.07 56.06 2wnl s TYR 54 Cb -0.15 0.08 -0.02 0.00 0.38 0.00 0.00 41.96 42.25 2wnl s TYR 54 CO -0.03 -0.74 -0.20 1.52 -1.52 0.00 0.00 175.55 174.58 2wnl s TYR 55 N -3.91 2.53 -0.30 -3.49 -0.85 -0.40 -0.63 117.35 110.29 2wnl s TYR 55 Ca 0.12 -0.32 -0.02 0.00 -0.52 0.00 0.00 57.07 56.33 2wnl s TYR 55 Cb 0.02 -1.58 0.05 0.00 0.38 0.00 0.00 41.96 40.84 2wnl s TYR 55 CO -0.03 0.06 -0.00 -2.00 -1.52 0.00 0.00 175.55 172.05 2wnl s GLU 56 N -0.62 2.41 0.07 -3.49 2.12 -0.49 -1.16 118.70 117.55 2wnl s GLU 56 Ca 0.09 -1.28 -0.30 0.00 0.36 0.00 0.00 54.97 53.84 2wnl s GLU 56 Cb -0.11 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 2wnl s GLU 56 CO 0.00 -0.62 0.98 -1.14 -0.54 0.00 0.00 175.26 173.94 2wnl s GLN 57 N 1.24 4.63 -0.06 4.30 0.74 0.48 -3.20 119.66 127.79 2wnl s GLN 57 Ca -0.05 1.45 0.03 0.00 0.05 0.00 0.00 55.36 56.84 2wnl s GLN 57 Cb -0.20 -3.41 0.01 0.00 1.10 0.00 0.00 33.01 30.51 2wnl s GLN 57 CO -0.01 0.09 -0.16 -0.65 -0.55 0.00 0.00 175.29 174.01 2wnl s GLN 58 N 0.43 1.94 -0.09 1.67 -0.21 0.20 -2.37 119.66 121.22 2wnl s GLN 58 Ca 0.49 -0.54 -0.03 0.00 0.02 0.00 0.00 55.36 55.30 2wnl s GLN 58 Cb -0.23 -1.59 0.05 0.00 1.00 0.00 0.00 33.01 32.24 2wnl s GLN 58 CO 0.29 0.12 0.12 0.50 -2.12 0.00 0.00 175.29 174.19 2wnl s ARG 59 N 0.42 0.01 0.12 2.91 3.00 -0.90 -0.62 118.95 123.89 2wnl s ARG 59 Ca -0.12 0.35 -0.10 0.00 -1.00 0.00 0.00 55.73 54.86 2wnl s ARG 59 Cb -0.15 -0.71 0.00 0.00 0.00 0.00 0.00 34.95 34.10 2wnl s ARG 59 CO 0.04 -0.41 0.26 1.67 0.00 0.00 0.00 175.30 176.86 2wnl s TRP 60 N 2.22 0.16 -0.05 5.12 -2.14 -1.07 -0.60 118.94 122.58 2wnl s TRP 60 Ca 0.04 -0.55 0.04 0.00 2.66 0.00 0.00 56.10 58.28 2wnl s TRP 60 Cb -0.13 0.00 0.00 0.00 -3.10 0.00 0.00 33.47 30.25 2wnl s TRP 60 CO -0.06 -0.63 -0.16 0.21 -2.66 0.00 0.00 176.95 173.65 2wnl s LYS 61 N -3.88 1.82 0.03 3.25 2.20 -1.26 -0.24 119.74 121.65 2wnl s LYS 61 Ca 0.08 -0.56 0.08 0.00 -0.36 0.00 0.00 55.97 55.21 2wnl s LYS 61 Cb 0.04 -1.54 -0.02 0.00 -1.51 0.00 0.00 37.83 34.80 2wnl s LYS 61 CO -0.08 0.17 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.35 2wnl s LEU 62 N 0.24 2.13 0.14 5.43 1.43 0.06 -4.93 118.68 123.19 2wnl s LEU 62 Ca -0.08 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.54 2wnl s LEU 62 Cb -0.13 -1.10 -0.09 0.00 0.03 0.00 0.00 46.19 44.89 2wnl s LEU 62 CO 0.03 0.22 1.32 0.78 0.23 0.00 0.00 176.35 178.93 2wnl h ASN 63 N 5.03 0.21 0.00 2.29 -0.26 -1.91 -3.15 115.58 117.79 2wnl h ASN 63 Ca -0.43 -0.19 0.00 0.00 -0.56 0.00 0.00 56.30 55.12 2wnl h ASN 63 Cb 1.15 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 38.34 2wnl h ASN 63 CO 0.45 1.05 0.48 -1.28 -1.06 0.00 0.00 177.43 177.07 2wnl h SER 64 N 0.07 0.00 0.00 5.81 0.87 -1.95 -2.53 113.55 115.81 2wnl h SER 64 Ca -0.05 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 2wnl h SER 64 Cb 1.64 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.57 2wnl h SER 64 CO 0.14 0.00 -0.45 0.18 -0.53 0.00 0.00 176.83 176.17 2wnl n LEU 65 N -2.48 2.44 -4.93 2.23 4.77 -1.19 -4.98 117.00 112.86 2wnl n LEU 65 Ca -0.01 -3.54 -0.28 0.00 -0.03 0.00 0.00 56.01 52.15 2wnl n LEU 65 Cb 0.51 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2wnl n LEU 65 CO 0.08 1.18 0.00 -0.04 -1.33 0.00 0.00 177.39 177.28 2wnl s MET 66 N -2.83 3.51 0.09 3.23 -1.94 -0.96 -3.64 119.30 116.77 2wnl s MET 66 Ca 0.36 -0.36 -0.24 0.00 -1.71 0.00 0.00 55.69 53.74 2wnl s MET 66 Cb 0.35 -2.87 0.07 0.00 2.01 0.00 0.00 34.83 34.39 2wnl s MET 66 CO -0.06 0.43 0.60 1.67 -0.01 0.00 0.00 175.02 177.65 2wnl s TRP 67 N -1.82 -0.53 -0.34 -0.03 -2.14 -0.81 -4.98 118.94 108.28 2wnl s TRP 67 Ca 0.38 0.51 -0.20 0.00 2.66 0.00 0.00 56.10 59.45 2wnl s TRP 67 Cb -0.11 0.48 -0.00 0.00 -3.10 0.00 0.00 33.47 30.74 2wnl s TRP 67 CO 0.29 -0.76 0.62 0.34 -2.66 0.00 0.00 176.95 174.78 2wnl s ASP 68 N -2.29 6.43 0.47 -2.66 3.68 -1.26 -4.69 116.67 116.35 2wnl s ASP 68 Ca -0.03 0.20 0.26 0.00 2.13 0.00 0.00 52.55 55.11 2wnl s ASP 68 Cb -0.01 -2.32 1.30 0.00 -1.45 0.00 0.00 42.92 40.45 2wnl s ASP 68 CO -0.06 -0.55 1.82 -0.65 0.13 0.00 0.00 175.17 175.86 2wnl h PRO 69 N 8.39 0.20 -0.68 4.34 0.11 -1.95 -0.35 132.00 142.06 2wnl h PRO 69 Ca -0.27 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.84 2wnl h PRO 69 Cb 1.11 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 2wnl h PRO 69 CO 0.82 0.13 0.45 -0.91 -0.21 0.00 0.00 178.00 178.28 2wnl h ASN 70 N 0.21 0.77 0.22 -2.05 2.35 -1.92 0.53 115.58 115.68 2wnl h ASN 70 Ca 0.53 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.26 2wnl h ASN 70 Cb 1.69 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.87 2wnl h ASN 70 CO -0.14 0.56 0.00 -0.62 -1.65 0.00 0.00 177.43 175.58 2wnl n GLU 71 N -4.62 0.20 -2.68 0.81 1.02 -0.14 -3.68 120.64 111.55 2wnl n GLU 71 Ca 0.06 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2wnl n GLU 71 Cb 0.03 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.00 2wnl n GLU 71 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2wnl n TYR 72 N -1.26 1.04 -2.20 -0.32 4.01 -0.73 -5.00 117.16 112.70 2wnl n TYR 72 Ca 0.06 -1.94 -0.15 0.00 -0.16 0.00 0.00 57.90 55.72 2wnl n TYR 72 Cb 0.10 -0.18 -0.01 0.00 -0.31 0.00 0.00 39.34 38.93 2wnl n TYR 72 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wnl n GLY 73 N -0.49 -0.08 2.29 2.72 0.00 -1.07 -3.00 105.19 105.56 2wnl n GLY 73 Ca 0.06 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 2wnl n GLY 73 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wnl n ASN 74 N -0.78 -4.13 -4.68 1.61 5.15 0.18 -4.98 115.26 107.62 2wnl n ASN 74 Ca -0.17 0.15 -0.42 0.00 -0.60 0.00 0.00 54.58 53.54 2wnl n ASN 74 Cb 0.62 -2.98 -0.03 0.00 -0.53 0.00 0.00 39.78 36.86 2wnl n ASN 74 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2wnl s ILE 75 N -2.51 3.91 -0.27 -1.44 1.01 -1.16 -4.90 121.20 115.84 2wnl s ILE 75 Ca 0.00 1.23 0.19 0.00 0.00 0.00 0.00 60.65 62.07 2wnl s ILE 75 Cb 0.00 -3.79 -0.27 0.00 0.01 0.00 0.00 42.46 38.40 2wnl s ILE 75 CO 0.00 -0.04 0.53 0.35 0.00 0.00 0.00 174.94 175.79 2wnl n THR 76 N 4.89 0.00 -3.80 2.92 -2.24 -1.26 -4.34 114.28 110.45 2wnl n THR 76 Ca 0.13 -0.33 -0.04 0.00 -2.27 0.00 0.00 64.05 61.54 2wnl n THR 76 Cb 0.44 0.33 -0.00 0.00 -2.10 0.00 0.00 70.33 69.00 2wnl n THR 76 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2wnl s ASP 77 N -3.81 -0.13 0.15 3.42 3.84 -1.26 -1.46 116.67 117.42 2wnl s ASP 77 Ca -0.03 -0.56 -0.18 0.00 -0.00 0.00 0.00 52.55 51.78 2wnl s ASP 77 Cb 0.13 0.55 0.04 0.00 -1.38 0.00 0.00 42.92 42.27 2wnl s ASP 77 CO 0.80 -1.05 0.48 0.72 -0.00 0.00 0.00 175.17 176.12 2wnl s PHE 78 N -3.04 -0.27 -0.00 2.11 -0.12 -0.33 -4.99 117.98 111.34 2wnl s PHE 78 Ca 0.14 -0.03 -0.06 0.00 -0.05 0.00 0.00 56.93 56.94 2wnl s PHE 78 Cb -0.03 0.37 -0.05 0.00 -0.63 0.00 0.00 43.02 42.68 2wnl s PHE 78 CO 0.04 -0.79 0.24 1.03 -0.05 0.00 0.00 175.22 175.70 2wnl s ARG 79 N -3.81 3.54 0.14 1.99 3.00 -1.26 -0.38 118.95 122.17 2wnl s ARG 79 Ca 0.04 -0.14 -0.16 0.00 0.00 0.00 0.00 55.73 55.47 2wnl s ARG 79 Cb 0.00 -3.09 0.03 0.00 0.00 0.00 0.00 34.95 31.90 2wnl s ARG 79 CO -0.10 0.66 0.41 -0.08 0.00 0.00 0.00 175.30 176.19 2wnl s THR 80 N -1.29 0.06 0.29 0.02 -1.32 -0.43 -4.97 115.64 108.00 2wnl s THR 80 Ca 0.27 -0.65 -0.30 0.00 -1.21 0.00 0.00 61.69 59.80 2wnl s THR 80 Cb -0.13 -1.25 -0.11 0.00 -1.51 0.00 0.00 72.50 69.50 2wnl s THR 80 CO 0.16 -0.29 1.58 -0.55 -2.21 0.00 0.00 174.62 173.30 2wnl s SER 81 N -2.82 6.41 0.63 8.08 0.15 -1.26 -0.88 113.70 124.00 2wnl s SER 81 Ca 0.04 2.92 0.41 0.00 0.70 0.00 0.00 55.95 60.02 2wnl s SER 81 Cb 0.02 -2.63 2.13 0.00 -1.71 0.00 0.00 66.02 63.83 2wnl s SER 81 CO -0.10 -0.89 2.26 0.00 1.20 0.00 0.00 173.24 175.70 2wnl h ALA 82 N 4.90 1.00 0.00 5.45 0.00 -1.42 -0.98 119.26 128.22 2wnl h ALA 82 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2wnl h ALA 82 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2wnl h ALA 82 CO 0.79 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.04 2wnl n ALA 83 N -2.07 2.23 1.27 0.00 0.00 -1.26 -3.14 120.51 117.54 2wnl n ALA 83 Ca -0.02 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.43 2wnl n ALA 83 Cb 0.13 -1.42 0.41 0.00 0.00 0.00 0.00 19.45 18.57 2wnl n ALA 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wnl n ASP 84 N -1.40 1.70 -4.04 0.00 8.00 -0.37 -4.95 116.55 115.48 2wnl n ASP 84 Ca 0.09 -1.66 -0.10 0.00 0.71 0.00 0.00 54.79 53.83 2wnl n ASP 84 Cb 0.25 -0.08 -0.07 0.00 -0.02 0.00 0.00 41.12 41.20 2wnl n ASP 84 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2wnl s ILE 85 N -1.84 0.02 0.31 0.53 -4.36 -1.19 -5.02 121.20 109.65 2wnl s ILE 85 Ca 0.34 -1.56 -0.29 0.00 -0.26 0.00 0.00 60.65 58.89 2wnl s ILE 85 Cb 0.19 -2.18 -0.09 0.00 1.25 0.00 0.00 42.46 41.62 2wnl s ILE 85 CO 0.28 -0.08 1.12 0.86 0.24 0.00 0.00 174.94 177.36 2wnl s TRP 86 N -4.04 3.46 0.04 1.37 -0.00 -1.26 -4.97 118.94 113.53 2wnl s TRP 86 Ca 0.25 1.66 0.03 0.00 -0.00 0.00 0.00 56.10 58.03 2wnl s TRP 86 Cb 0.02 -3.32 -0.02 0.00 -0.00 0.00 0.00 33.47 30.15 2wnl s TRP 86 CO 0.07 -0.75 -0.09 0.95 -0.00 0.00 0.00 176.95 177.14 2wnl s THR 87 N -1.23 0.63 0.36 5.86 -4.23 -1.26 -5.11 115.64 110.66 2wnl s THR 87 Ca 0.47 -0.96 -0.26 0.00 -1.18 0.00 0.00 61.69 59.76 2wnl s THR 87 Cb -0.32 -0.65 -0.09 0.00 1.34 0.00 0.00 72.50 72.78 2wnl s THR 87 CO 0.41 -0.25 1.10 -2.16 -0.54 0.00 0.00 174.62 173.18 2wnl s PRO 88 N -1.32 4.29 -0.24 3.99 0.04 -1.26 -4.93 135.00 135.57 2wnl s PRO 88 Ca -0.06 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 62.64 2wnl s PRO 88 Cb -0.09 -2.80 -0.10 0.00 0.04 0.00 0.00 34.50 31.55 2wnl s PRO 88 CO 0.01 -0.08 3.20 -0.40 0.04 0.00 0.00 177.00 179.77 2wnl n ASP 89 N 0.39 5.88 -4.67 6.66 5.75 -1.26 -4.94 116.55 124.36 2wnl n ASP 89 Ca 0.03 -2.84 -0.42 0.00 -0.01 0.00 0.00 54.79 51.54 2wnl n ASP 89 Cb 0.47 -1.33 -0.03 0.00 -1.03 0.00 0.00 41.12 39.20 2wnl n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2wnl s ILE 90 N -0.61 3.45 0.04 2.12 -1.09 -1.26 -2.70 121.20 121.15 2wnl s ILE 90 Ca 0.63 0.66 0.05 0.00 -2.23 0.00 0.00 60.65 59.77 2wnl s ILE 90 Cb 0.35 -3.43 -0.02 0.00 -1.58 0.00 0.00 42.46 37.78 2wnl s ILE 90 CO -0.11 -0.04 -0.15 -0.89 -1.23 0.00 0.00 174.94 172.52 2wnl s THR 91 N 3.59 1.18 0.06 2.92 2.01 0.02 -4.90 115.64 120.52 2wnl s THR 91 Ca 0.73 -1.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 2wnl s THR 91 Cb -0.35 -1.06 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 2wnl s THR 91 CO 0.30 0.03 1.17 0.00 -0.69 0.00 0.00 174.62 175.44 2wnl s ALA 92 N -0.84 3.36 -0.91 7.40 0.00 -1.26 -1.77 121.76 127.74 2wnl s ALA 92 Ca 0.02 0.81 0.26 0.00 0.00 0.00 0.00 51.96 53.06 2wnl s ALA 92 Cb -0.08 -3.43 0.77 0.00 0.00 0.00 0.00 23.12 20.38 2wnl s ALA 92 CO 0.01 -0.40 1.62 0.66 0.00 0.00 0.00 175.76 177.65 2wnl n TYR 93 N 3.85 0.19 -2.49 0.00 4.02 0.27 -3.99 117.16 119.01 2wnl n TYR 93 Ca 0.08 0.06 0.02 0.00 -0.01 0.00 0.00 57.90 58.05 2wnl n TYR 93 Cb 0.47 -0.48 0.04 0.00 -0.02 0.00 0.00 39.34 39.36 2wnl n TYR 93 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2wnl n SER 94 N -1.68 1.35 -4.74 7.72 3.41 -1.26 -5.01 113.62 113.40 2wnl n SER 94 Ca 0.06 -2.23 -0.34 0.00 -0.26 0.00 0.00 58.87 56.10 2wnl n SER 94 Cb 0.36 -0.37 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 2wnl n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2wnl s SER 95 N -2.63 4.62 -0.00 4.04 1.04 -1.26 -2.04 113.70 117.47 2wnl s SER 95 Ca 0.33 2.19 0.08 0.00 0.48 0.00 0.00 55.95 59.03 2wnl s SER 95 Cb 0.37 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.82 2wnl s SER 95 CO -0.12 -1.97 0.29 0.35 0.98 0.00 0.00 173.24 172.76 2wnl n THR 96 N -2.57 0.00 -4.12 2.02 -2.24 0.52 -4.82 114.28 103.07 2wnl n THR 96 Ca 0.12 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 2wnl n THR 96 Cb 0.51 0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 69.41 2wnl n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wnl s ARG 97 N -2.03 0.69 0.34 -0.78 1.81 -1.24 -5.04 118.95 112.71 2wnl s ARG 97 Ca 0.01 -1.16 -0.29 0.00 -1.72 0.00 0.00 55.73 52.57 2wnl s ARG 97 Cb 0.06 -0.10 -0.11 0.00 -0.45 0.00 0.00 34.95 34.34 2wnl s ARG 97 CO 0.33 -0.03 1.53 -2.30 -0.68 0.00 0.00 175.30 174.16 2wnl n PRO 98 N 0.36 2.68 -1.94 3.54 -0.02 -1.26 -4.63 135.00 133.74 2wnl n PRO 98 Ca -0.15 0.95 -0.41 0.00 -2.02 0.00 0.00 63.50 61.86 2wnl n PRO 98 Cb 0.59 -2.70 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 2wnl n PRO 98 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wnl s VAL 99 N -0.62 2.46 -0.24 -1.45 1.01 -1.26 -4.86 120.40 115.44 2wnl s VAL 99 Ca 0.58 0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.88 2wnl s VAL 99 Cb -0.49 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2wnl s VAL 99 CO 0.57 0.07 0.06 -1.10 0.00 0.00 0.00 175.10 174.70 2wnl s GLN 100 N -0.60 3.69 -0.27 2.72 -0.21 -0.69 -4.99 119.66 119.31 2wnl s GLN 100 Ca 0.59 -0.47 -0.22 0.00 0.02 0.00 0.00 55.36 55.29 2wnl s GLN 100 Cb -0.44 -3.30 -0.01 0.00 1.00 0.00 0.00 33.01 30.27 2wnl s GLN 100 CO 0.46 -0.13 0.70 0.08 -2.12 0.00 0.00 175.29 174.29 2wnl s VAL 101 N 1.44 4.91 -1.79 1.09 1.01 -1.26 -1.09 120.40 124.70 2wnl s VAL 101 Ca 0.05 1.19 0.24 0.00 0.00 0.00 0.00 61.98 63.46 2wnl s VAL 101 Cb -0.15 -4.02 0.05 0.00 0.00 0.00 0.00 36.38 32.26 2wnl s VAL 101 CO 0.03 -0.07 1.23 0.18 0.00 0.00 0.00 175.10 176.47 2wnl n LEU 102 N 5.89 1.54 -4.29 3.92 4.77 -0.19 -4.98 117.00 123.67 2wnl n LEU 102 Ca 0.01 -0.54 -0.16 0.00 -0.03 0.00 0.00 56.01 55.29 2wnl n LEU 102 Cb 0.48 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 2wnl n LEU 102 CO 0.46 0.30 -0.38 -0.94 -1.33 0.00 0.00 177.39 175.50 2wnl s SER 103 N -2.57 1.86 0.41 -1.43 1.04 -1.24 -4.92 113.70 106.85 2wnl s SER 103 Ca 0.19 -1.10 -0.26 0.00 0.48 0.00 0.00 55.95 55.26 2wnl s SER 103 Cb 0.18 -0.01 -0.08 0.00 0.10 0.00 0.00 66.02 66.21 2wnl s SER 103 CO 0.60 -0.40 1.28 -2.84 0.98 0.00 0.00 173.24 172.85 2wnl s PRO 104 N -3.79 3.93 -1.38 4.02 0.02 -1.26 -4.85 135.00 131.70 2wnl s PRO 104 Ca 0.22 2.09 -0.12 0.00 0.02 0.00 0.00 61.00 63.21 2wnl s PRO 104 Cb 0.04 -2.70 0.10 0.00 0.02 0.00 0.00 34.50 31.95 2wnl s PRO 104 CO 0.04 -0.50 2.09 0.94 -0.33 0.00 0.00 177.00 179.24 2wnl n GLN 105 N 0.04 3.25 -4.35 5.54 -0.06 -1.26 -4.88 117.38 115.65 2wnl n GLN 105 Ca 0.04 -3.02 -0.19 0.00 -2.00 0.00 0.00 57.00 51.83 2wnl n GLN 105 Cb 0.44 -3.10 -0.15 0.00 -4.06 0.00 0.00 30.24 23.37 2wnl n GLN 105 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2wnl s ILE 106 N 1.82 0.71 0.29 1.69 1.01 -1.26 -1.04 121.20 124.42 2wnl s ILE 106 Ca 0.44 -0.36 0.11 0.00 0.00 0.00 0.00 60.65 60.85 2wnl s ILE 106 Cb 0.12 -0.61 -0.05 0.00 0.01 0.00 0.00 42.46 41.93 2wnl s ILE 106 CO -0.05 0.21 -0.14 0.00 0.00 0.00 0.00 174.94 174.96 2wnl s ALA 107 N -0.04 2.87 -0.22 9.38 0.00 -0.05 -4.67 121.76 129.03 2wnl s ALA 107 Ca 0.01 -1.90 -0.04 0.00 0.00 0.00 0.00 51.96 50.03 2wnl s ALA 107 Cb -0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 2wnl s ALA 107 CO -0.00 0.23 -0.02 0.08 0.00 0.00 0.00 175.76 176.05 2wnl s VAL 108 N -2.51 3.60 -0.20 0.00 1.01 -0.55 -1.31 120.40 120.44 2wnl s VAL 108 Ca 0.31 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 2wnl s VAL 108 Cb -0.03 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2wnl s VAL 108 CO 0.16 0.41 0.07 -0.69 0.00 0.00 0.00 175.10 175.05 2wnl s VAL 109 N 1.40 4.67 0.19 2.92 1.01 0.49 -1.13 120.40 129.95 2wnl s VAL 109 Ca 0.05 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.00 2wnl s VAL 109 Cb -0.14 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2wnl s VAL 109 CO -0.01 0.42 0.26 -0.89 0.00 0.00 0.00 175.10 174.88 2wnl s THR 110 N 0.77 5.00 0.57 3.92 2.01 0.19 -1.18 115.64 126.91 2wnl s THR 110 Ca 0.04 -0.96 0.26 0.00 0.31 0.00 0.00 61.69 61.33 2wnl s THR 110 Cb -0.13 -3.63 0.33 0.00 0.01 0.00 0.00 72.50 69.08 2wnl s THR 110 CO 0.02 -0.20 2.19 1.12 -0.69 0.00 0.00 174.62 177.06 2wnl h HIS 111 N 1.82 0.00 0.00 4.92 2.07 -1.55 0.19 115.15 122.60 2wnl h HIS 111 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 2wnl h HIS 111 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 2wnl h HIS 111 CO 0.52 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 174.98 2wnl n ASP 112 N -4.05 0.00 0.00 3.10 5.68 -1.26 -1.93 116.55 118.08 2wnl n ASP 112 Ca -0.02 -0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 2wnl n ASP 112 Cb 0.15 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 2wnl n ASP 112 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wnl n GLY 113 N 0.67 0.78 3.81 6.12 0.00 0.67 -4.77 105.19 112.46 2wnl n GLY 113 Ca 0.12 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2wnl n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wnl s SER 114 N -2.04 7.12 0.04 1.61 1.04 -1.24 -0.76 113.70 119.47 2wnl s SER 114 Ca 0.00 1.46 0.08 0.00 0.48 0.00 0.00 55.95 57.98 2wnl s SER 114 Cb 0.00 -2.44 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 2wnl s SER 114 CO 0.00 0.06 -0.23 -0.69 0.98 0.00 0.00 173.24 173.36 2wnl s VAL 115 N -1.46 2.37 -0.09 5.02 1.01 0.66 -0.64 120.40 127.27 2wnl s VAL 115 Ca 0.42 -1.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 2wnl s VAL 115 Cb -0.18 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.28 2wnl s VAL 115 CO 0.22 0.37 -0.04 -0.32 0.00 0.00 0.00 175.10 175.33 2wnl s MET 116 N -1.26 1.14 -0.07 2.72 0.00 -0.28 -2.59 119.30 118.95 2wnl s MET 116 Ca 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 55.69 55.71 2wnl s MET 116 Cb -0.10 -1.32 0.02 0.00 0.00 0.00 0.00 34.83 33.43 2wnl s MET 116 CO 0.03 -0.28 -0.04 0.12 0.00 0.00 0.00 175.02 174.85 2wnl s PHE 117 N 1.79 0.93 -0.53 4.11 5.36 0.21 -1.49 117.98 128.37 2wnl s PHE 117 Ca 0.05 -0.33 0.07 0.00 -0.96 0.00 0.00 56.93 55.75 2wnl s PHE 117 Cb -0.12 -0.87 0.25 0.00 -0.34 0.00 0.00 43.02 41.94 2wnl s PHE 117 CO -0.07 -0.32 0.65 -0.89 -1.46 0.00 0.00 175.22 173.13 2wnl n ILE 118 N 4.63 1.04 -2.28 3.12 5.41 -1.26 0.58 119.36 130.60 2wnl n ILE 118 Ca -0.15 -4.69 -0.41 0.00 1.00 0.00 0.00 62.75 58.49 2wnl n ILE 118 Cb 0.50 -2.04 -0.03 0.00 -0.71 0.00 0.00 39.64 37.37 2wnl n ILE 118 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2wnl s PRO 119 N -1.90 4.41 0.05 0.38 0.04 -1.19 -4.70 135.00 132.08 2wnl s PRO 119 Ca 0.38 1.97 -0.17 0.00 0.04 0.00 0.00 61.00 63.21 2wnl s PRO 119 Cb 0.16 -3.23 -0.06 0.00 0.04 0.00 0.00 34.50 31.40 2wnl s PRO 119 CO -0.06 -0.23 0.50 0.00 0.04 0.00 0.00 177.00 177.26 2wnl s ALA 120 N 0.32 3.63 0.01 8.56 0.00 -1.26 -1.39 121.76 131.64 2wnl s ALA 120 Ca 0.57 -0.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.39 2wnl s ALA 120 Cb -0.35 -2.53 -0.00 0.00 0.00 0.00 0.00 23.12 20.24 2wnl s ALA 120 CO 0.35 0.44 0.11 -0.65 0.00 0.00 0.00 175.76 176.01 2wnl s GLN 121 N -1.15 0.48 -0.19 0.00 -0.21 0.20 -1.03 119.66 117.76 2wnl s GLN 121 Ca 0.27 -0.48 -0.07 0.00 0.02 0.00 0.00 55.36 55.11 2wnl s GLN 121 Cb -0.18 0.19 -0.04 0.00 1.00 0.00 0.00 33.01 33.98 2wnl s GLN 121 CO 0.17 -0.11 0.05 0.50 -2.12 0.00 0.00 175.29 173.78 2wnl s ARG 122 N -1.56 3.90 -0.04 2.91 3.52 -0.25 -1.90 118.95 125.52 2wnl s ARG 122 Ca -0.14 -0.38 0.05 0.00 -0.13 0.00 0.00 55.73 55.13 2wnl s ARG 122 Cb -0.07 -3.20 -0.01 0.00 -1.56 0.00 0.00 34.95 30.11 2wnl s ARG 122 CO 0.00 0.20 -0.20 -1.17 -0.81 0.00 0.00 175.30 173.32 2wnl s LEU 123 N 0.56 1.99 -0.19 -0.88 2.96 -0.14 -1.70 118.68 121.27 2wnl s LEU 123 Ca 0.03 -0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 53.47 2wnl s LEU 123 Cb -0.13 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.41 2wnl s LEU 123 CO 0.01 0.20 0.01 -0.44 -1.32 0.00 0.00 176.35 174.82 2wnl s SER 124 N -0.12 5.01 0.25 3.68 0.01 -1.26 -0.99 113.70 120.28 2wnl s SER 124 Ca -0.02 -0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.13 2wnl s SER 124 Cb -0.12 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.22 2wnl s SER 124 CO 0.02 0.10 0.19 0.72 0.41 0.00 0.00 173.24 174.68 2wnl s PHE 125 N 0.82 1.34 -0.24 2.43 -0.12 -0.86 -0.35 117.98 120.99 2wnl s PHE 125 Ca 0.01 -1.46 -0.29 0.00 -0.05 0.00 0.00 56.93 55.14 2wnl s PHE 125 Cb -0.14 -0.59 0.01 0.00 -0.63 0.00 0.00 43.02 41.67 2wnl s PHE 125 CO 0.02 -0.73 1.08 -1.64 -0.05 0.00 0.00 175.22 173.90 2wnl s MET 126 N -3.91 4.21 -0.26 1.99 -1.94 -0.86 -1.99 119.30 116.54 2wnl s MET 126 Ca 0.39 1.34 -0.13 0.00 -1.71 0.00 0.00 55.69 55.58 2wnl s MET 126 Cb 0.05 -3.68 0.09 0.00 2.01 0.00 0.00 34.83 33.30 2wnl s MET 126 CO 0.17 -0.71 0.62 0.00 -0.01 0.00 0.00 175.02 175.09 2wnl s ASP 128 N 1.95 6.20 -0.00 0.00 2.15 -1.26 -3.16 116.67 122.55 2wnl s ASP 128 Ca -0.08 -0.83 0.01 0.00 0.43 0.00 0.00 52.55 52.07 2wnl s ASP 128 Cb -0.08 -2.24 0.03 0.00 -0.30 0.00 0.00 42.92 40.34 2wnl s ASP 128 CO -0.18 -0.69 0.95 -0.81 -0.17 0.00 0.00 175.17 174.27 2wnl n PRO 129 N 5.72 1.10 -1.66 4.34 -0.04 -1.26 -4.62 135.00 138.57 2wnl n PRO 129 Ca -0.08 -0.13 -0.48 0.00 -0.04 0.00 0.00 63.50 62.77 2wnl n PRO 129 Cb 0.46 -1.11 -0.05 0.00 -0.04 0.00 0.00 33.50 32.77 2wnl n PRO 129 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2wnl n THR 130 N -0.33 0.19 0.00 0.52 -1.04 -1.26 -1.28 114.28 111.08 2wnl n THR 130 Ca 0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2wnl n THR 130 Cb 0.07 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.07 2wnl n THR 130 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wnl n GLY 131 N 3.63 0.17 0.24 3.41 0.00 -1.26 -4.44 105.19 106.94 2wnl n GLY 131 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.29 2wnl n GLY 131 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2wnl h VAL 132 N 0.00 1.00 -0.19 1.61 3.04 -1.37 -0.96 116.25 119.38 2wnl h VAL 132 Ca 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 2wnl h VAL 132 Cb 0.00 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 2wnl h VAL 132 CO 0.00 0.11 0.00 -0.90 -1.01 0.00 0.00 177.57 175.77 2wnl n ASP 133 N -4.29 1.64 -4.94 3.17 5.75 -1.26 -1.02 116.55 115.60 2wnl n ASP 133 Ca -0.03 -1.75 -0.19 0.00 -0.01 0.00 0.00 54.79 52.81 2wnl n ASP 133 Cb 0.19 -0.13 -0.01 0.00 -1.03 0.00 0.00 41.12 40.14 2wnl n ASP 133 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2wnl s SER 134 N -1.46 5.43 0.23 -1.12 1.04 -0.37 -4.97 113.70 112.46 2wnl s SER 134 Ca 0.30 -0.52 -0.04 0.00 0.48 0.00 0.00 55.95 56.17 2wnl s SER 134 Cb 0.16 -0.74 0.23 0.00 0.10 0.00 0.00 66.02 65.77 2wnl s SER 134 CO 0.24 -0.63 1.70 -0.08 0.98 0.00 0.00 173.24 175.45 2wnl h GLU 135 N 0.89 0.87 0.00 4.02 4.81 -1.89 -3.08 114.58 120.21 2wnl h GLU 135 Ca -0.42 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 58.50 2wnl h GLU 135 Cb 1.27 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2wnl h GLU 135 CO 0.52 0.90 -0.19 1.05 -0.73 0.00 0.00 179.01 180.56 2wnl h GLU 136 N 0.80 0.00 0.00 1.92 9.09 -1.95 -3.49 114.58 120.94 2wnl h GLU 136 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 2wnl h GLU 136 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 2wnl h GLU 136 CO 0.03 0.19 0.00 0.41 0.05 0.00 0.00 179.01 179.69 2wnl n GLY 137 N 0.55 -2.22 3.62 1.06 0.00 -1.15 -4.90 105.19 102.15 2wnl n GLY 137 Ca 0.01 -1.61 -0.28 0.00 0.00 0.00 0.00 46.02 44.14 2wnl n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wnl s ALA 138 N -1.18 3.08 -0.01 4.61 0.00 0.35 -4.28 121.76 124.33 2wnl s ALA 138 Ca 0.00 -1.31 0.08 0.00 0.00 0.00 0.00 51.96 50.73 2wnl s ALA 138 Cb 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 2wnl s ALA 138 CO 0.00 0.56 -0.26 0.99 0.00 0.00 0.00 175.76 177.05 2wnl s THR 139 N -1.50 2.02 0.15 0.00 2.01 -1.26 -1.78 115.64 115.28 2wnl s THR 139 Ca 0.25 -1.11 -0.07 0.00 0.31 0.00 0.00 61.69 61.06 2wnl s THR 139 Cb -0.10 -1.68 -0.02 0.00 0.01 0.00 0.00 72.50 70.71 2wnl s THR 139 CO 0.16 0.55 0.22 0.00 -0.69 0.00 0.00 174.62 174.87 2wnl s ALA 141 N -3.97 -0.77 -0.15 0.00 0.00 -1.26 -1.69 121.76 113.92 2wnl s ALA 141 Ca 0.17 0.54 -0.10 0.00 0.00 0.00 0.00 51.96 52.57 2wnl s ALA 141 Cb 0.04 -0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.04 2wnl s ALA 141 CO -0.01 -0.21 0.37 0.54 0.00 0.00 0.00 175.76 176.45 2wnl s VAL 142 N -0.72 -0.02 0.06 0.00 0.11 -0.64 -4.86 120.40 114.33 2wnl s VAL 142 Ca -0.08 0.07 -0.13 0.00 -2.93 0.00 0.00 61.98 58.92 2wnl s VAL 142 Cb -0.04 -0.54 -0.06 0.00 -1.53 0.00 0.00 36.38 34.20 2wnl s VAL 142 CO 0.03 0.03 0.43 -0.54 -3.33 0.00 0.00 175.10 171.72 2wnl s LYS 143 N 0.99 3.86 -0.04 1.54 1.02 -1.26 -1.17 119.74 124.69 2wnl s LYS 143 Ca -0.06 0.33 0.06 0.00 0.02 0.00 0.00 55.97 56.31 2wnl s LYS 143 Cb -0.07 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 34.16 2wnl s LYS 143 CO -0.08 0.59 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.66 2wnl s PHE 144 N -1.29 2.13 0.09 3.18 0.08 -0.88 -0.56 117.98 120.72 2wnl s PHE 144 Ca 0.30 -0.55 -0.27 0.00 0.12 0.00 0.00 56.93 56.54 2wnl s PHE 144 Cb -0.15 -1.39 0.08 0.00 -0.57 0.00 0.00 43.02 40.99 2wnl s PHE 144 CO 0.17 -0.14 1.07 0.20 -0.10 0.00 0.00 175.22 176.42 2wnl s GLY 145 N -0.26 -0.30 0.46 4.36 0.00 -0.73 0.07 107.32 110.92 2wnl s GLY 145 Ca 0.01 0.36 -0.24 0.00 0.00 0.00 0.00 44.72 44.84 2wnl s GLY 145 CO 0.02 0.06 1.28 -1.26 0.00 0.00 0.00 173.10 173.19 2wnl n SER 146 N -0.47 2.51 0.07 1.64 2.88 -1.26 -0.80 113.62 118.20 2wnl n SER 146 Ca -0.07 1.07 -0.14 0.00 -1.33 0.00 0.00 58.87 58.40 2wnl n SER 146 Cb 0.61 -1.51 -0.14 0.00 -0.75 0.00 0.00 64.21 62.42 2wnl n SER 146 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 2wnl h TRP 147 N 1.89 0.35 0.00 0.66 2.91 -1.87 -3.40 115.95 116.49 2wnl h TRP 147 Ca -0.49 -0.26 0.00 0.00 1.13 0.00 0.00 58.89 59.28 2wnl h TRP 147 Cb 1.30 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 2wnl h TRP 147 CO 0.47 1.26 0.00 1.33 -1.03 0.00 0.00 178.44 180.46 2wnl n VAL 148 N -3.43 0.08 -4.72 2.65 0.24 -1.26 -5.01 118.33 106.88 2wnl n VAL 148 Ca -0.11 -0.53 -0.33 0.00 -2.04 0.00 0.00 64.34 61.33 2wnl n VAL 148 Cb 1.02 0.98 -0.14 0.00 -1.47 0.00 0.00 33.84 34.23 2wnl n VAL 148 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2wnl s TYR 149 N -0.08 2.84 0.90 6.34 2.02 -1.26 -5.11 117.35 123.00 2wnl s TYR 149 Ca 0.00 -0.61 -0.14 0.00 -0.37 0.00 0.00 57.07 55.96 2wnl s TYR 149 Cb 0.00 -1.86 0.14 0.00 -0.40 0.00 0.00 41.96 39.84 2wnl s TYR 149 CO 0.00 -0.20 1.20 -1.54 -1.57 0.00 0.00 175.55 173.44 2wnl s SER 150 N 0.37 3.64 0.37 2.29 1.04 -1.26 -4.62 113.70 115.54 2wnl s SER 150 Ca -0.10 0.70 0.27 0.00 0.48 0.00 0.00 55.95 57.30 2wnl s SER 150 Cb -0.16 -1.09 1.32 0.00 0.10 0.00 0.00 66.02 66.19 2wnl s SER 150 CO 0.05 -2.44 1.81 1.23 0.98 0.00 0.00 173.24 174.87 2wnl h GLY 151 N -1.43 0.00 0.19 7.32 0.00 -1.11 0.19 103.07 108.23 2wnl h GLY 151 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2wnl h GLY 151 CO 0.56 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.79 2wnl n PHE 152 N -2.45 0.03 0.00 5.60 3.72 -1.26 -4.41 117.46 118.69 2wnl n PHE 152 Ca -0.00 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2wnl n PHE 152 Cb 0.12 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 2wnl n PHE 152 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2wnl n GLU 153 N -0.38 0.00 -4.07 -1.08 1.02 0.43 -4.21 120.64 112.35 2wnl n GLU 153 Ca 0.20 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 57.01 2wnl n GLU 153 Cb 0.22 -0.49 -0.15 0.00 -0.02 0.00 0.00 31.44 31.00 2wnl n GLU 153 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2wnl s ILE 154 N -1.93 2.29 -0.48 -3.67 1.01 0.06 -1.50 121.20 116.98 2wnl s ILE 154 Ca 0.00 -1.15 -0.19 0.00 0.00 0.00 0.00 60.65 59.31 2wnl s ILE 154 Cb 0.00 -2.12 0.05 0.00 0.01 0.00 0.00 42.46 40.40 2wnl s ILE 154 CO 0.00 0.30 0.57 -0.62 0.00 0.00 0.00 174.94 175.20 2wnl s ASP 155 N 1.25 6.23 -0.19 3.58 2.15 -0.53 -4.23 116.67 124.92 2wnl s ASP 155 Ca -0.00 -0.81 -0.16 0.00 0.43 0.00 0.00 52.55 52.00 2wnl s ASP 155 Cb -0.16 -2.27 -0.04 0.00 -0.30 0.00 0.00 42.92 40.15 2wnl s ASP 155 CO -0.09 -0.80 0.42 -0.76 -0.17 0.00 0.00 175.17 173.78 2wnl s LEU 156 N 2.49 4.17 0.35 -1.34 1.43 -1.26 -1.74 118.68 122.78 2wnl s LEU 156 Ca 0.15 0.57 0.05 0.00 -1.03 0.00 0.00 54.13 53.87 2wnl s LEU 156 Cb -0.18 -2.56 -0.07 0.00 0.03 0.00 0.00 46.19 43.41 2wnl s LEU 156 CO 0.13 -0.08 0.05 -0.54 0.23 0.00 0.00 176.35 176.13 2wnl s LYS 157 N 1.26 1.75 0.13 1.70 -0.14 -0.58 -4.94 119.74 118.92 2wnl s LYS 157 Ca 0.20 -1.98 0.08 0.00 -1.36 0.00 0.00 55.97 52.91 2wnl s LYS 157 Cb -0.15 -1.10 -0.04 0.00 -1.68 0.00 0.00 37.83 34.87 2wnl s LYS 157 CO 0.08 -0.16 -0.18 0.95 -0.76 0.00 0.00 175.35 175.29 2wnl s THR 158 N -3.12 1.61 -0.01 2.17 -4.23 -1.26 -0.83 115.64 109.98 2wnl s THR 158 Ca 0.35 -1.71 0.12 0.00 -1.18 0.00 0.00 61.69 59.27 2wnl s THR 158 Cb 0.09 -1.62 -0.17 0.00 1.34 0.00 0.00 72.50 72.14 2wnl s THR 158 CO 0.16 -0.26 1.03 0.44 -0.54 0.00 0.00 174.62 175.46 2wnl h ASP 159 N 3.64 0.00 -5.11 3.99 3.32 -1.97 -3.47 116.42 116.83 2wnl h ASP 159 Ca -0.43 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.51 2wnl h ASP 159 Cb 1.19 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.58 2wnl h ASP 159 CO 0.47 0.86 -0.43 0.28 -1.72 0.00 0.00 179.24 178.69 2wnl s THR 160 N -2.74 0.13 -1.66 0.35 -1.32 -1.26 -5.06 115.64 104.08 2wnl s THR 160 Ca -0.01 -1.07 0.18 0.00 -1.21 0.00 0.00 61.69 59.58 2wnl s THR 160 Cb 0.09 -1.06 0.48 0.00 -1.51 0.00 0.00 72.50 70.50 2wnl s THR 160 CO 0.81 -0.59 1.39 -0.90 -2.21 0.00 0.00 174.62 173.12 2wnl n ASP 161 N 0.47 3.46 -4.72 8.08 5.75 -1.26 -4.85 116.55 123.47 2wnl n ASP 161 Ca -0.18 -1.98 -0.37 0.00 -0.01 0.00 0.00 54.79 52.25 2wnl n ASP 161 Cb 0.60 -0.35 -0.06 0.00 -1.03 0.00 0.00 41.12 40.28 2wnl n ASP 161 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2wnl s GLN 162 N -1.06 4.31 0.26 0.11 -1.52 -1.26 -0.81 119.66 119.68 2wnl s GLN 162 Ca 0.37 0.36 -0.30 0.00 -1.95 0.00 0.00 55.36 53.85 2wnl s GLN 162 Cb 0.20 -3.43 -0.09 0.00 -0.22 0.00 0.00 33.01 29.47 2wnl s GLN 162 CO 0.26 0.18 1.05 0.08 -0.25 0.00 0.00 175.29 176.62 2wnl s VAL 163 N 0.56 3.70 -0.23 1.09 1.01 -0.75 -4.83 120.40 120.95 2wnl s VAL 163 Ca 0.24 1.69 -0.29 0.00 0.00 0.00 0.00 61.98 63.61 2wnl s VAL 163 Cb -0.15 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 2wnl s VAL 163 CO 0.09 0.39 1.27 -0.62 0.00 0.00 0.00 175.10 176.23 2wnl s ASP 164 N -0.88 6.82 0.00 3.32 -1.08 -0.66 -4.88 116.67 119.32 2wnl s ASP 164 Ca 0.44 1.45 0.06 0.00 -0.52 0.00 0.00 52.55 53.97 2wnl s ASP 164 Cb -0.30 -2.54 0.16 0.00 -1.46 0.00 0.00 42.92 38.78 2wnl s ASP 164 CO 0.38 -0.91 1.12 0.18 0.52 0.00 0.00 175.17 176.46 2wnl n LEU 165 N 7.09 2.46 0.04 -1.34 4.77 -1.26 -1.84 117.00 126.91 2wnl n LEU 165 Ca 0.14 -1.98 0.07 0.00 -0.03 0.00 0.00 56.01 54.22 2wnl n LEU 165 Cb 0.46 -0.12 0.32 0.00 -2.33 0.00 0.00 43.42 41.75 2wnl n LEU 165 CO 0.59 0.61 0.73 -1.54 -1.33 0.00 0.00 177.39 176.45 2wnl n SER 166 N 0.04 0.19 -0.06 -1.43 3.41 -1.26 -1.86 113.62 112.65 2wnl n SER 166 Ca 0.06 0.56 0.07 0.00 -0.26 0.00 0.00 58.87 59.30 2wnl n SER 166 Cb 0.34 -0.59 0.10 0.00 -0.26 0.00 0.00 64.21 63.79 2wnl n SER 166 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2wnl n SER 167 N -1.72 2.20 -4.73 4.04 7.64 -1.26 -5.04 113.62 114.75 2wnl n SER 167 Ca 0.02 -2.77 -0.42 0.00 1.01 0.00 0.00 58.87 56.72 2wnl n SER 167 Cb 0.15 -0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 63.01 2wnl n SER 167 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2wnl s TYR 168 N -2.31 2.99 -0.03 1.43 5.04 -0.77 -4.58 117.35 119.11 2wnl s TYR 168 Ca 0.23 0.64 -0.30 0.00 -2.44 0.00 0.00 57.07 55.21 2wnl s TYR 168 Cb 0.20 -3.97 -0.08 0.00 0.35 0.00 0.00 41.96 38.46 2wnl s TYR 168 CO 0.02 -3.52 1.97 -0.47 -1.34 0.00 0.00 175.55 172.22 2wnl s TYR 169 N 0.84 1.34 0.43 4.97 5.04 0.13 -4.87 117.35 125.23 2wnl s TYR 169 Ca 0.69 -0.20 0.16 0.00 -2.44 0.00 0.00 57.07 55.28 2wnl s TYR 169 Cb -0.45 -4.15 1.02 0.00 0.35 0.00 0.00 41.96 38.72 2wnl s TYR 169 CO 0.35 -5.08 1.97 0.00 -1.34 0.00 0.00 175.55 171.45 2wnl h ALA 170 N 11.32 1.57 -0.52 3.97 0.00 -1.89 -2.72 119.26 130.99 2wnl h ALA 170 Ca -0.47 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.02 2wnl h ALA 170 Cb 1.23 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 2wnl h ALA 170 CO 0.95 0.26 0.12 0.43 0.00 0.00 0.00 179.25 181.01 2wnl n SER 171 N -4.17 3.15 -4.69 0.00 7.64 -1.26 -5.00 113.62 109.29 2wnl n SER 171 Ca -0.02 -3.59 -0.32 0.00 1.01 0.00 0.00 58.87 55.94 2wnl n SER 171 Cb 0.28 -0.68 0.14 0.00 -1.01 0.00 0.00 64.21 62.93 2wnl n SER 171 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2wnl s SER 172 N -2.06 3.44 0.50 6.43 0.15 -1.03 -4.92 113.70 116.21 2wnl s SER 172 Ca 0.48 2.28 0.29 0.00 0.70 0.00 0.00 55.95 59.70 2wnl s SER 172 Cb 0.42 -2.58 1.08 0.00 -1.71 0.00 0.00 66.02 63.23 2wnl s SER 172 CO 0.05 -2.76 1.88 0.11 1.20 0.00 0.00 173.24 173.71 2wnl h LYS 173 N -1.21 0.00 -5.62 5.44 1.79 -1.92 -3.43 116.57 111.63 2wnl h LYS 173 Ca -0.45 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.35 2wnl h LYS 173 Cb 1.28 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.61 2wnl h LYS 173 CO 0.45 0.08 -0.88 0.71 -1.08 0.00 0.00 179.45 178.74 2wnl s TYR 174 N -3.60 2.39 0.08 -1.35 2.02 -1.26 -0.19 117.35 115.43 2wnl s TYR 174 Ca 0.02 -0.83 -0.01 0.00 -0.37 0.00 0.00 57.07 55.88 2wnl s TYR 174 Cb 0.09 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 40.02 2wnl s TYR 174 CO 0.59 -0.30 0.24 -1.83 -1.57 0.00 0.00 175.55 172.68 2wnl s GLU 175 N 0.09 3.47 -0.22 -0.62 -1.05 -0.43 -4.78 118.70 115.17 2wnl s GLU 175 Ca -0.10 -0.39 -0.15 0.00 -0.15 0.00 0.00 54.97 54.18 2wnl s GLU 175 Cb -0.15 -3.00 -0.04 0.00 -0.44 0.00 0.00 34.13 30.49 2wnl s GLU 175 CO 0.06 0.58 0.36 0.42 0.95 0.00 0.00 175.26 177.63 2wnl s ILE 176 N -1.54 5.22 0.00 1.83 -1.09 -1.26 -2.34 121.20 122.01 2wnl s ILE 176 Ca 0.36 0.60 -0.08 0.00 -2.23 0.00 0.00 60.65 59.30 2wnl s ILE 176 Cb -0.13 -3.69 -0.30 0.00 -1.58 0.00 0.00 42.46 36.76 2wnl s ILE 176 CO 0.27 0.25 0.86 -0.07 -1.23 0.00 0.00 174.94 175.02 2wnl h LEU 177 N 7.78 0.56 -7.00 2.97 3.38 -0.59 -3.49 115.31 118.93 2wnl h LEU 177 Ca -0.36 -0.73 0.13 0.00 0.09 0.00 0.00 57.88 57.01 2wnl h LEU 177 Cb 1.16 -0.18 -0.19 0.00 0.09 0.00 0.00 40.66 41.53 2wnl h LEU 177 CO 0.70 1.60 0.58 -0.94 0.09 0.00 0.00 178.44 180.47 2wnl s SER 178 N -7.22 -0.32 -0.21 -0.43 1.04 -0.97 -4.97 113.70 100.62 2wnl s SER 178 Ca -0.11 0.17 -0.06 0.00 0.48 0.00 0.00 55.95 56.44 2wnl s SER 178 Cb 0.06 0.30 0.10 0.00 0.10 0.00 0.00 66.02 66.58 2wnl s SER 178 CO 0.88 -0.42 0.40 0.00 0.98 0.00 0.00 173.24 175.08 2wnl s ALA 179 N -2.09 -1.13 0.22 5.32 0.00 -1.26 -0.18 121.76 122.65 2wnl s ALA 179 Ca 0.03 1.34 0.10 0.00 0.00 0.00 0.00 51.96 53.43 2wnl s ALA 179 Cb -0.01 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 2wnl s ALA 179 CO -0.04 -0.88 -0.20 0.95 0.00 0.00 0.00 175.76 175.59 2wnl s THR 180 N 2.59 2.18 -0.27 0.00 -4.23 -0.38 -1.81 115.64 113.73 2wnl s THR 180 Ca 0.02 -2.16 -0.02 0.00 -1.18 0.00 0.00 61.69 58.35 2wnl s THR 180 Cb -0.13 -2.11 0.09 0.00 1.34 0.00 0.00 72.50 71.69 2wnl s THR 180 CO -0.13 -0.33 0.08 0.00 -0.54 0.00 0.00 174.62 173.69 2wnl s GLN 181 N -3.13 0.67 -0.06 3.99 -2.07 0.01 -1.57 119.66 117.49 2wnl s GLN 181 Ca 0.23 -0.82 0.04 0.00 -1.82 0.00 0.00 55.36 52.99 2wnl s GLN 181 Cb -0.05 -1.95 -0.00 0.00 -1.09 0.00 0.00 33.01 29.92 2wnl s GLN 181 CO 0.10 -0.88 -0.19 0.99 -1.32 0.00 0.00 175.29 174.00 2wnl s THR 182 N 1.74 1.59 0.23 3.63 2.01 -0.09 -4.34 115.64 120.40 2wnl s THR 182 Ca 0.06 -0.78 -0.30 0.00 0.31 0.00 0.00 61.69 60.98 2wnl s THR 182 Cb -0.17 -1.38 -0.09 0.00 0.01 0.00 0.00 72.50 70.88 2wnl s THR 182 CO -0.21 0.45 1.10 -0.60 -0.69 0.00 0.00 174.62 174.67 2wnl s ARG 183 N 0.18 4.62 0.22 4.92 3.52 -1.26 0.48 118.95 131.63 2wnl s ARG 183 Ca -0.09 1.76 0.02 0.00 -0.13 0.00 0.00 55.73 57.29 2wnl s ARG 183 Cb -0.14 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 29.97 2wnl s ARG 183 CO 0.04 0.15 0.03 -0.65 -0.81 0.00 0.00 175.30 174.06 2wnl s GLN 184 N -0.90 1.27 -0.01 5.12 -0.21 0.24 -4.90 119.66 120.27 2wnl s GLN 184 Ca 0.47 -1.64 0.05 0.00 0.02 0.00 0.00 55.36 54.26 2wnl s GLN 184 Cb -0.31 -0.38 -0.01 0.00 1.00 0.00 0.00 33.01 33.31 2wnl s GLN 184 CO 0.38 -0.16 -0.16 0.08 -2.12 0.00 0.00 175.29 173.30 2wnl s VAL 185 N -3.60 1.29 -0.14 1.09 1.01 -1.26 -1.95 120.40 116.83 2wnl s VAL 185 Ca 0.29 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 2wnl s VAL 185 Cb 0.06 -1.08 0.08 0.00 0.00 0.00 0.00 36.38 35.44 2wnl s VAL 185 CO 0.08 0.33 0.74 -1.58 0.00 0.00 0.00 175.10 174.67 2wnl s GLN 186 N -0.47 0.92 0.18 2.72 0.74 -0.67 -4.98 119.66 118.09 2wnl s GLN 186 Ca 0.06 0.50 0.04 0.00 0.05 0.00 0.00 55.36 56.01 2wnl s GLN 186 Cb -0.06 0.44 -0.03 0.00 1.10 0.00 0.00 33.01 34.45 2wnl s GLN 186 CO -0.00 -0.23 0.28 -1.01 -0.55 0.00 0.00 175.29 173.77 2wnl s HIS 187 N -0.61 3.40 -0.01 1.67 3.76 -1.26 -0.23 115.29 122.02 2wnl s HIS 187 Ca -0.06 0.05 -0.00 0.00 -0.15 0.00 0.00 55.06 54.90 2wnl s HIS 187 Cb -0.02 -1.60 0.01 0.00 1.11 0.00 0.00 32.58 32.08 2wnl s HIS 187 CO 0.06 0.50 0.01 0.71 -0.85 0.00 0.00 174.74 175.17 2wnl s TYR 188 N -1.83 0.01 0.56 1.40 1.51 -1.26 -4.98 117.35 112.76 2wnl s TYR 188 Ca 0.34 0.05 0.25 0.00 -1.01 0.00 0.00 57.07 56.70 2wnl s TYR 188 Cb -0.10 -0.08 1.52 0.00 -0.11 0.00 0.00 41.96 43.19 2wnl s TYR 188 CO 0.28 -0.03 2.09 0.77 -1.11 0.00 0.00 175.55 177.54 2wnl h SER 189 N 6.54 0.00 -0.86 2.29 0.02 -2.00 -0.41 113.55 119.14 2wnl h SER 189 Ca -0.32 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 60.76 2wnl h SER 189 Cb 1.18 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.63 2wnl h SER 189 CO 0.50 0.00 0.47 0.00 -1.14 0.00 0.00 176.83 176.66 2wnl n PRO 192 N 1.74 0.01 -4.04 0.00 -0.04 -1.26 -4.26 135.00 127.15 2wnl n PRO 192 Ca -0.22 0.01 -0.32 0.00 -0.04 0.00 0.00 63.50 62.93 2wnl n PRO 192 Cb 0.56 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 2wnl n PRO 192 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2wnl s GLU 193 N -3.01 3.07 0.54 0.54 8.01 -1.26 -5.03 118.70 121.57 2wnl s GLU 193 Ca 0.13 -0.55 -0.18 0.00 0.01 0.00 0.00 54.97 54.38 2wnl s GLU 193 Cb 0.19 -2.85 -0.06 0.00 -4.31 0.00 0.00 34.13 27.10 2wnl s GLU 193 CO 0.55 0.61 1.07 -1.25 0.01 0.00 0.00 175.26 176.25 2wnl s PRO 194 N -2.12 3.48 0.17 0.39 0.04 -1.26 -4.56 135.00 131.14 2wnl s PRO 194 Ca 0.27 1.37 0.11 0.00 0.04 0.00 0.00 61.00 62.79 2wnl s PRO 194 Cb -0.12 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2wnl s PRO 194 CO 0.19 -0.70 -0.21 0.71 0.04 0.00 0.00 177.00 177.04 2wnl s TYR 195 N -2.11 2.39 -0.14 0.56 1.51 0.68 -0.74 117.35 119.52 2wnl s TYR 195 Ca 0.67 -0.32 -0.02 0.00 -1.01 0.00 0.00 57.07 56.38 2wnl s TYR 195 Cb -0.18 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.43 2wnl s TYR 195 CO 0.28 0.46 -0.06 0.42 -1.11 0.00 0.00 175.55 175.55 2wnl s ILE 196 N -1.51 3.72 0.26 2.71 -1.09 -1.26 -1.68 121.20 122.35 2wnl s ILE 196 Ca 0.20 -0.43 0.06 0.00 -2.23 0.00 0.00 60.65 58.26 2wnl s ILE 196 Cb -0.09 -2.60 -0.06 0.00 -1.58 0.00 0.00 42.46 38.13 2wnl s ILE 196 CO 0.10 0.52 -0.06 1.51 -1.23 0.00 0.00 174.94 175.78 2wnl s ASP 197 N 0.18 2.58 -0.33 3.58 1.47 -0.82 -4.35 116.67 118.98 2wnl s ASP 197 Ca -0.03 -1.17 -0.04 0.00 1.18 0.00 0.00 52.55 52.48 2wnl s ASP 197 Cb -0.14 -0.13 0.05 0.00 -0.34 0.00 0.00 42.92 42.35 2wnl s ASP 197 CO 0.03 -0.35 0.07 -0.69 0.68 0.00 0.00 175.17 174.91 2wnl s VAL 198 N -3.08 3.45 -0.29 2.11 1.01 0.11 -0.59 120.40 123.12 2wnl s VAL 198 Ca 0.28 -1.28 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 2wnl s VAL 198 Cb 0.03 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.44 2wnl s VAL 198 CO 0.11 -0.18 1.06 0.21 0.00 0.00 0.00 175.10 176.29 2wnl s ASN 199 N 1.38 6.97 -0.39 3.32 3.04 0.18 -2.07 114.94 127.37 2wnl s ASN 199 Ca -0.03 1.13 -0.17 0.00 0.04 0.00 0.00 52.86 53.83 2wnl s ASN 199 Cb -0.20 -2.54 0.01 0.00 -1.54 0.00 0.00 41.25 36.98 2wnl s ASN 199 CO 0.01 -0.81 0.45 -0.22 -3.04 0.00 0.00 177.10 173.48 2wnl s LEU 200 N 3.50 4.61 -0.19 3.21 2.96 -0.31 -0.91 118.68 131.55 2wnl s LEU 200 Ca 0.45 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 2wnl s LEU 200 Cb -0.13 -2.44 -0.00 0.00 0.50 0.00 0.00 46.19 44.12 2wnl s LEU 200 CO 0.13 -0.51 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.85 2wnl s VAL 201 N 2.20 2.87 -0.12 1.68 1.01 -0.61 -1.63 120.40 125.81 2wnl s VAL 201 Ca 0.14 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2wnl s VAL 201 Cb -0.16 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 33.97 2wnl s VAL 201 CO 0.13 0.48 -0.17 -0.69 0.00 0.00 0.00 175.10 174.85 2wnl s VAL 202 N 1.21 1.66 -0.19 2.92 1.01 -0.68 -1.25 120.40 125.07 2wnl s VAL 202 Ca 0.02 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 2wnl s VAL 202 Cb -0.14 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 2wnl s VAL 202 CO -0.05 0.47 0.03 -0.54 0.00 0.00 0.00 175.10 175.01 2wnl s LYS 203 N 0.94 3.77 0.15 2.72 1.02 0.75 -2.18 119.74 126.90 2wnl s LYS 203 Ca -0.07 -0.45 -0.10 0.00 0.02 0.00 0.00 55.97 55.37 2wnl s LYS 203 Cb -0.15 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 2wnl s LYS 203 CO -0.02 0.12 0.30 -0.59 -0.92 0.00 0.00 175.35 174.24 2wnl s PHE 204 N 0.76 0.24 0.28 3.18 -0.12 -0.73 0.21 117.98 121.79 2wnl s PHE 204 Ca 0.02 -0.61 -0.19 0.00 -0.05 0.00 0.00 56.93 56.10 2wnl s PHE 204 Cb -0.14 0.02 0.02 0.00 -0.63 0.00 0.00 43.02 42.29 2wnl s PHE 204 CO 0.02 -0.70 0.67 -0.98 -0.05 0.00 0.00 175.22 174.18 2wnl s ARG 205 N -3.92 1.76 0.05 1.99 1.70 -0.99 -0.50 118.95 119.05 2wnl s ARG 205 Ca 0.12 -1.08 -0.31 0.00 -0.47 0.00 0.00 55.73 54.00 2wnl s ARG 205 Cb 0.03 0.58 -0.07 0.00 -0.57 0.00 0.00 34.95 34.92 2wnl s ARG 205 CO -0.04 -0.79 1.48 -1.21 -1.08 0.00 0.00 175.30 173.66 2wnl s GLU 206 N -3.85 4.26 0.17 3.89 2.02 -0.19 -1.31 118.70 123.69 2wnl s GLU 206 Ca 0.14 2.11 -0.32 0.00 0.02 0.00 0.00 54.97 56.93 2wnl s GLU 206 Cb -0.05 -3.48 -0.11 0.00 0.10 0.00 0.00 34.13 30.59 2wnl s GLU 206 CO 0.08 -0.59 1.70 0.50 0.02 0.00 0.00 175.26 176.97 2wnl s ARG 207 N 2.09 4.15 0.00 1.61 3.52 0.73 -4.74 118.95 126.31 2wnl s ARG 207 Ca 0.67 2.53 0.06 0.00 -0.13 0.00 0.00 55.73 58.86 2wnl s ARG 207 Cb -0.36 -3.23 0.04 0.00 -1.56 0.00 0.00 34.95 29.85 2wnl s ARG 207 CO 0.29 -0.74 0.68 0.54 -0.81 0.00 0.00 175.30 175.26