#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wnl h LYS -1 N 0.00 0.21 0.00 -1.24 1.57 -2.05 -2.84 116.57 112.22 2wnl h LYS -1 Ca 0.00 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 2wnl h LYS -1 Cb 0.00 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2wnl h LYS -1 CO 0.00 1.11 -0.08 1.25 -0.57 0.00 0.00 179.45 181.16 2wnl h LEU 0 N 0.08 0.00 0.00 2.94 6.46 -2.05 -2.21 115.31 120.53 2wnl h LEU 0 Ca -0.09 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.63 2wnl h LEU 0 Cb 1.80 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.74 2wnl h LEU 0 CO 0.17 0.08 -0.17 0.45 -0.62 0.00 0.00 178.44 178.35 2wnl h HIS 1 N 0.00 0.17 -0.28 1.25 3.86 -1.93 -2.35 115.15 115.87 2wnl h HIS 1 Ca -0.00 -0.09 0.06 0.00 -1.16 0.00 0.00 60.37 59.17 2wnl h HIS 1 Cb 0.21 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.61 2wnl h HIS 1 CO 0.00 0.90 -0.10 0.66 0.86 0.00 0.00 177.93 180.25 2wnl h SER 2 N -0.60 -0.35 -0.56 2.45 4.64 -1.41 1.16 113.55 118.88 2wnl h SER 2 Ca -0.02 0.10 0.11 0.00 -0.47 0.00 0.00 61.79 61.51 2wnl h SER 2 Cb 0.95 0.21 -0.11 0.00 -0.31 0.00 0.00 62.40 63.13 2wnl h SER 2 CO 0.03 -0.13 -0.17 1.56 -0.87 0.00 0.00 176.83 177.25 2wnl h GLN 3 N -0.05 -0.04 -0.52 4.77 4.20 -1.49 0.64 115.11 122.63 2wnl h GLN 3 Ca 0.14 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.73 2wnl h GLN 3 Cb 0.26 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2wnl h GLN 3 CO -0.31 -0.02 -0.14 0.00 -0.67 0.00 0.00 178.83 177.69 2wnl h ALA 4 N 1.47 0.77 -0.30 3.87 0.00 -0.61 -2.14 119.26 122.31 2wnl h ALA 4 Ca 0.27 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2wnl h ALA 4 Cb 0.45 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2wnl h ALA 4 CO -0.60 0.67 0.17 -0.91 0.00 0.00 0.00 179.25 178.58 2wnl h ASN 5 N 0.89 0.38 -0.06 0.00 2.35 0.20 -1.61 115.58 117.72 2wnl h ASN 5 Ca 0.13 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 2wnl h ASN 5 Cb 0.70 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 2wnl h ASN 5 CO 0.05 0.34 -0.10 0.25 -1.65 0.00 0.00 177.43 176.33 2wnl h LEU 6 N 0.38 0.33 -0.33 1.61 5.85 -0.84 -1.85 115.31 120.45 2wnl h LEU 6 Ca 0.11 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 2wnl h LEU 6 Cb 0.04 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2wnl h LEU 6 CO -0.02 0.47 -0.22 -0.03 -0.34 0.00 0.00 178.44 178.30 2wnl h MET 7 N 0.33 0.74 -0.22 1.25 4.05 -1.05 -2.38 114.93 117.64 2wnl h MET 7 Ca 0.07 -0.35 -0.13 0.00 -0.28 0.00 0.00 59.70 59.00 2wnl h MET 7 Cb 0.38 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 2wnl h MET 7 CO 0.02 0.96 -0.42 -0.09 0.23 0.00 0.00 176.91 177.61 2wnl h ARG 8 N 0.51 0.53 0.57 0.39 1.12 -1.14 -0.95 114.38 115.41 2wnl h ARG 8 Ca 0.07 -0.28 -0.03 0.00 -1.11 0.00 0.00 59.98 58.63 2wnl h ARG 8 Cb 0.78 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.75 2wnl h ARG 8 CO 0.06 0.86 -0.30 1.25 -3.11 0.00 0.00 179.97 178.74 2wnl h LEU 9 N 0.44 -0.71 -1.16 3.80 5.85 -1.29 0.13 115.31 122.36 2wnl h LEU 9 Ca 0.03 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2wnl h LEU 9 Cb 0.92 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 2wnl h LEU 9 CO 0.08 -0.49 0.12 0.11 -0.34 0.00 0.00 178.44 177.92 2wnl h LYS 10 N -0.80 0.70 0.20 1.25 1.57 -1.41 0.37 116.57 118.47 2wnl h LYS 10 Ca -0.07 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2wnl h LYS 10 Cb 0.62 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2wnl h LYS 10 CO 0.11 0.64 -0.13 1.03 -0.57 0.00 0.00 179.45 180.52 2wnl h SER 11 N 0.69 -0.34 0.17 0.86 0.87 -0.94 -0.72 113.55 114.14 2wnl h SER 11 Ca 0.16 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 2wnl h SER 11 Cb 0.25 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2wnl h SER 11 CO -0.00 -0.22 -0.28 0.44 -0.53 0.00 0.00 176.83 176.24 2wnl h ASP 12 N -0.33 0.18 0.43 6.23 3.32 -0.20 -1.37 116.42 124.67 2wnl h ASP 12 Ca -0.02 -0.06 -0.28 0.00 0.02 0.00 0.00 57.03 56.70 2wnl h ASP 12 Cb 0.29 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.80 2wnl h ASP 12 CO 0.01 0.46 -1.20 -0.07 -1.72 0.00 0.00 179.24 176.72 2wnl h LEU 13 N 0.17 0.59 0.00 1.55 3.38 -0.81 -3.24 115.31 116.94 2wnl h LEU 13 Ca 0.03 -0.57 -0.21 0.00 0.09 0.00 0.00 57.88 57.21 2wnl h LEU 13 Cb 0.58 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2wnl h LEU 13 CO 0.04 1.41 -1.66 0.49 0.09 0.00 0.00 178.44 178.82 2wnl n PHE 14 N -3.65 0.78 -0.04 1.13 0.99 -0.29 -4.64 117.46 111.73 2wnl n PHE 14 Ca -0.10 0.26 -0.02 0.00 -0.00 0.00 0.00 57.45 57.60 2wnl n PHE 14 Cb 0.98 -1.06 -0.08 0.00 -1.00 0.00 0.00 39.48 38.32 2wnl n PHE 14 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2wnl n ASN 15 N -2.86 2.44 -0.03 4.37 3.02 -0.52 -4.58 115.26 117.10 2wnl n ASN 15 Ca -0.14 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.37 2wnl n ASN 15 Cb 0.91 0.98 0.20 0.00 -0.61 0.00 0.00 39.78 41.27 2wnl n ASN 15 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2wnl h ARG 16 N 0.00 0.60 -5.27 3.52 3.08 -1.68 -3.45 114.38 111.17 2wnl h ARG 16 Ca -0.20 -0.18 -0.39 0.00 0.07 0.00 0.00 59.98 59.28 2wnl h ARG 16 Cb 1.30 -0.06 -0.14 0.00 0.08 0.00 0.00 29.97 31.15 2wnl h ARG 16 CO 0.01 0.71 -0.71 -1.12 -1.07 0.00 0.00 179.97 177.79 2wnl s SER 17 N -6.74 2.15 0.21 7.04 0.01 -1.26 -5.12 113.70 109.99 2wnl s SER 17 Ca -0.08 -1.07 -0.30 0.00 1.31 0.00 0.00 55.95 55.81 2wnl s SER 17 Cb 0.14 -0.06 -0.09 0.00 0.21 0.00 0.00 66.02 66.22 2wnl s SER 17 CO 0.79 -0.31 1.31 -2.16 0.41 0.00 0.00 173.24 173.29 2wnl s PRO 18 N -3.73 4.38 0.55 12.44 0.04 -1.26 -4.86 135.00 142.56 2wnl s PRO 18 Ca 0.22 2.07 -0.18 0.00 0.04 0.00 0.00 61.00 63.14 2wnl s PRO 18 Cb 0.02 -3.18 -0.10 0.00 0.04 0.00 0.00 34.50 31.28 2wnl s PRO 18 CO 0.05 -0.25 0.46 -0.12 0.04 0.00 0.00 177.00 177.18 2wnl n MET 19 N 2.50 0.47 -1.71 4.56 0.00 -1.26 -4.77 117.12 116.91 2wnl n MET 19 Ca 0.06 0.18 -0.65 0.00 -0.00 0.00 0.00 57.70 57.29 2wnl n MET 19 Cb 0.43 -1.61 -0.09 0.00 0.00 0.00 0.00 33.22 31.95 2wnl n MET 19 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 2wnl n TYR 20 N -1.59 1.63 1.46 1.12 9.36 -1.26 -4.82 117.16 123.06 2wnl n TYR 20 Ca 0.11 1.05 0.05 0.00 3.32 0.00 0.00 57.90 62.44 2wnl n TYR 20 Cb 0.47 -2.24 0.19 0.00 -0.63 0.00 0.00 39.34 37.13 2wnl n TYR 20 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2wnl n PRO 21 N 3.78 1.42 0.00 2.98 -0.04 -1.26 -4.85 135.00 137.03 2wnl n PRO 21 Ca 0.29 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 2wnl n PRO 21 Cb -0.01 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.85 1.30 3.80 0.55 0.00 -1.26 -5.04 105.19 105.39 2wnl n GLY 22 Ca 0.09 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.89 2.77 0.22 1.61 0.04 -1.26 -5.03 135.00 131.46 2wnl s PRO 23 Ca 0.00 1.04 -0.03 0.00 0.04 0.00 0.00 61.00 62.05 2wnl s PRO 23 Cb 0.00 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 2wnl s PRO 23 CO 0.00 -1.24 0.21 0.95 0.04 0.00 0.00 177.00 176.97 2wnl s THR 24 N -2.96 0.00 0.35 1.26 -4.23 -0.94 -4.97 115.64 104.15 2wnl s THR 24 Ca 0.59 -1.88 0.12 0.00 -1.18 0.00 0.00 61.69 59.34 2wnl s THR 24 Cb -0.15 -2.45 0.34 0.00 1.34 0.00 0.00 72.50 71.58 2wnl s THR 24 CO 0.54 0.00 1.78 0.50 -0.54 0.00 0.00 174.62 176.90 2wnl h LYS 25 N 2.51 0.55 0.00 3.99 1.63 -1.92 -2.02 116.57 121.31 2wnl h LYS 25 Ca -0.33 -0.03 -0.22 0.00 -0.85 0.00 0.00 60.65 59.21 2wnl h LYS 25 Cb 1.25 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.72 2wnl h LYS 25 CO 0.48 0.37 -1.30 -0.44 -3.45 0.00 0.00 179.45 175.10 2wnl h ASP 26 N 0.57 0.00 -2.35 4.20 3.32 -1.96 -3.40 116.42 116.80 2wnl h ASP 26 Ca 0.58 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 57.04 2wnl h ASP 26 Cb 1.18 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.33 2wnl h ASP 26 CO -0.34 0.87 -0.81 -0.67 -1.72 0.00 0.00 179.24 176.57 2wnl n ASP 27 N -3.13 1.81 -4.81 6.45 2.03 -0.88 -5.11 116.55 112.91 2wnl n ASP 27 Ca -0.08 -2.99 -0.33 0.00 0.52 0.00 0.00 54.79 51.91 2wnl n ASP 27 Cb 0.94 -0.66 -0.00 0.00 -0.72 0.00 0.00 41.12 40.68 2wnl n ASP 27 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2wnl s PRO 28 N -1.44 3.51 0.03 -0.67 0.04 -0.82 -2.22 135.00 133.43 2wnl s PRO 28 Ca 0.34 1.16 0.09 0.00 0.04 0.00 0.00 61.00 62.63 2wnl s PRO 28 Cb 0.10 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2wnl s PRO 28 CO -0.11 -0.65 -0.25 -1.17 0.04 0.00 0.00 177.00 174.86 2wnl s LEU 29 N -4.31 2.21 -0.19 -3.56 2.96 -0.49 -4.95 118.68 110.36 2wnl s LEU 29 Ca 0.63 -0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 53.96 2wnl s LEU 29 Cb -0.15 -1.33 -0.02 0.00 0.50 0.00 0.00 46.19 45.19 2wnl s LEU 29 CO 0.34 0.27 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.73 2wnl s THR 30 N -0.78 3.79 -0.15 3.68 2.01 -1.26 -1.44 115.64 121.49 2wnl s THR 30 Ca 0.12 -0.38 -0.00 0.00 0.31 0.00 0.00 61.69 61.74 2wnl s THR 30 Cb -0.10 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.71 2wnl s THR 30 CO 0.02 0.45 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.58 2wnl s VAL 31 N 0.84 2.90 -0.08 3.82 1.01 -0.15 -4.55 120.40 124.19 2wnl s VAL 31 Ca -0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 2wnl s VAL 31 Cb -0.14 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 2wnl s VAL 31 CO 0.02 0.51 0.28 -0.89 0.00 0.00 0.00 175.10 175.01 2wnl s THR 32 N 0.64 5.27 0.11 3.92 2.01 -0.43 -1.58 115.64 125.59 2wnl s THR 32 Ca -0.07 0.53 0.10 0.00 0.31 0.00 0.00 61.69 62.55 2wnl s THR 32 Cb -0.16 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2wnl s THR 32 CO 0.03 0.56 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.51 2wnl s LEU 33 N -0.79 2.30 -0.17 4.42 1.43 0.37 -1.66 118.68 124.58 2wnl s LEU 33 Ca 0.19 -0.72 -0.20 0.00 -1.03 0.00 0.00 54.13 52.37 2wnl s LEU 33 Cb -0.14 -1.10 0.05 0.00 0.03 0.00 0.00 46.19 45.03 2wnl s LEU 33 CO 0.08 0.14 0.54 -0.83 0.23 0.00 0.00 176.35 176.51 2wnl s GLY 34 N -1.96 -0.41 -0.07 -3.19 0.00 -0.78 -4.30 107.32 96.61 2wnl s GLY 34 Ca 0.11 1.42 0.02 0.00 0.00 0.00 0.00 44.72 46.28 2wnl s GLY 34 CO 0.05 1.19 -0.13 -1.36 0.00 0.00 0.00 173.10 172.85 2wnl s PHE 35 N -0.01 2.75 -0.46 1.90 0.08 -1.26 0.15 117.98 121.13 2wnl s PHE 35 Ca -0.02 -0.24 -0.03 0.00 0.12 0.00 0.00 56.93 56.76 2wnl s PHE 35 Cb -0.04 -1.69 0.12 0.00 -0.57 0.00 0.00 43.02 40.85 2wnl s PHE 35 CO 0.02 0.12 0.26 0.99 -0.10 0.00 0.00 175.22 176.51 2wnl s THR 36 N -0.50 3.38 -0.08 0.64 2.01 -0.09 -2.07 115.64 118.94 2wnl s THR 36 Ca 0.07 -2.29 -0.30 0.00 0.31 0.00 0.00 61.69 59.48 2wnl s THR 36 Cb -0.12 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 2wnl s THR 36 CO 0.02 -0.74 1.31 -0.22 -0.69 0.00 0.00 174.62 174.30 2wnl s LEU 37 N 0.83 4.26 -0.21 4.42 2.96 -1.06 -1.89 118.68 127.99 2wnl s LEU 37 Ca 0.10 1.88 -0.03 0.00 -0.22 0.00 0.00 54.13 55.87 2wnl s LEU 37 Cb -0.22 -3.55 -0.20 0.00 0.50 0.00 0.00 46.19 42.72 2wnl s LEU 37 CO -0.04 -0.70 -0.00 0.00 -1.32 0.00 0.00 176.35 174.28 2wnl n GLN 38 N 5.86 0.68 -3.64 1.98 6.02 0.16 -3.84 117.38 124.60 2wnl n GLN 38 Ca 0.13 0.21 -0.07 0.00 -0.01 0.00 0.00 57.00 57.26 2wnl n GLN 38 Cb 0.45 -1.60 -0.07 0.00 1.02 0.00 0.00 30.24 30.04 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 -6.78 -0.48 -0.35 1.08 2.15 -0.70 -0.99 116.67 110.60 2wnl s ASP 39 Ca -0.30 0.87 -0.21 0.00 0.43 0.00 0.00 52.55 53.34 2wnl s ASP 39 Cb 0.08 0.97 0.00 0.00 -0.30 0.00 0.00 42.92 43.68 2wnl s ASP 39 CO 0.66 -0.15 0.65 -0.63 -0.17 0.00 0.00 175.17 175.53 2wnl s ILE 40 N 0.54 4.88 -0.06 4.11 1.01 -1.26 -0.54 121.20 129.88 2wnl s ILE 40 Ca -0.00 0.65 0.09 0.00 0.00 0.00 0.00 60.65 61.39 2wnl s ILE 40 Cb -0.05 -4.08 -0.24 0.00 0.01 0.00 0.00 42.46 38.11 2wnl s ILE 40 CO -0.09 -0.30 0.61 0.52 0.00 0.00 0.00 174.94 175.68 2wnl n VAL 41 N 5.58 1.65 -3.64 2.92 0.31 -0.48 -4.53 118.33 120.14 2wnl n VAL 41 Ca -0.01 -0.77 -0.10 0.00 -0.01 0.00 0.00 64.34 63.45 2wnl n VAL 41 Cb 0.49 -1.18 -0.07 0.00 -0.91 0.00 0.00 33.84 32.17 2wnl n VAL 41 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2wnl s LYS 42 N -2.59 0.76 -0.29 5.55 2.20 -1.23 -4.97 119.74 119.18 2wnl s LYS 42 Ca -0.08 1.13 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 2wnl s LYS 42 Cb 0.08 0.25 0.09 0.00 -1.51 0.00 0.00 37.83 36.74 2wnl s LYS 42 CO 0.81 -0.13 0.06 0.00 -0.36 0.00 0.00 175.35 175.73 2wnl s ALA 43 N 1.12 1.77 -0.36 3.13 0.00 -1.26 -0.39 121.76 125.77 2wnl s ALA 43 Ca -0.06 -1.65 -0.16 0.00 0.00 0.00 0.00 51.96 50.09 2wnl s ALA 43 Cb -0.05 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.47 2wnl s ALA 43 CO -0.11 -1.53 0.40 0.34 0.00 0.00 0.00 175.76 174.85 2wnl s ASP 44 N 1.49 6.21 0.00 0.00 -1.08 -0.04 -4.93 116.67 118.31 2wnl s ASP 44 Ca 0.06 -0.27 0.27 0.00 -0.52 0.00 0.00 52.55 52.09 2wnl s ASP 44 Cb -0.18 -2.21 0.88 0.00 -1.46 0.00 0.00 42.92 39.95 2wnl s ASP 44 CO -0.17 -0.40 1.65 -1.54 0.52 0.00 0.00 175.17 175.22 2wnl n SER 45 N 5.48 0.72 0.08 -0.34 3.41 -1.26 -1.25 113.62 120.46 2wnl n SER 45 Ca -0.08 -0.62 -0.00 0.00 -0.26 0.00 0.00 58.87 57.90 2wnl n SER 45 Cb 0.49 0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.46 2wnl n SER 45 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2wnl h SER 46 N 0.76 0.00 -0.00 4.04 4.64 -1.96 -3.36 113.55 117.67 2wnl h SER 46 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wnl h SER 46 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2wnl h SER 46 CO 0.00 0.63 -0.12 0.35 -0.87 0.00 0.00 176.83 176.82 2wnl n THR 47 N -3.12 0.00 -3.60 2.95 -2.24 -1.24 -5.04 114.28 102.00 2wnl n THR 47 Ca -0.03 -0.44 -0.28 0.00 -2.27 0.00 0.00 64.05 61.03 2wnl n THR 47 Cb 0.82 1.00 0.05 0.00 -2.10 0.00 0.00 70.33 70.10 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 -0.98 -5.41 -4.04 3.42 4.13 -0.38 -4.95 115.26 107.05 2wnl n ASN 48 Ca 0.01 -0.95 -0.22 0.00 1.68 0.00 0.00 54.58 55.10 2wnl n ASN 48 Cb 0.05 -3.78 -0.15 0.00 -1.54 0.00 0.00 39.78 34.35 2wnl n ASN 48 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2wnl s GLU 49 N -5.66 1.12 -0.02 3.52 2.02 -0.99 -1.91 118.70 116.79 2wnl s GLU 49 Ca 0.45 -0.39 0.08 0.00 0.02 0.00 0.00 54.97 55.13 2wnl s GLU 49 Cb -0.14 -1.03 -0.02 0.00 0.10 0.00 0.00 34.13 33.04 2wnl s GLU 49 CO 0.84 0.17 -0.25 0.08 0.02 0.00 0.00 175.26 176.11 2wnl s VAL 50 N 0.08 2.00 -0.23 2.63 1.01 -0.49 -0.86 120.40 124.52 2wnl s VAL 50 Ca -0.02 -1.08 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 2wnl s VAL 50 Cb -0.08 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 2wnl s VAL 50 CO 0.01 0.56 0.03 -1.81 0.00 0.00 0.00 175.10 173.89 2wnl s ASP 51 N -0.59 4.85 0.14 3.32 1.11 0.48 -1.40 116.67 124.58 2wnl s ASP 51 Ca 0.10 -0.26 0.06 0.00 0.18 0.00 0.00 52.55 52.63 2wnl s ASP 51 Cb -0.10 -1.86 -0.04 0.00 1.07 0.00 0.00 42.92 41.99 2wnl s ASP 51 CO -0.01 -0.02 0.02 -0.76 1.18 0.00 0.00 175.17 175.58 2wnl s LEU 52 N 1.50 3.43 -0.11 1.23 1.43 0.46 -1.38 118.68 125.24 2wnl s LEU 52 Ca 0.06 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 2wnl s LEU 52 Cb -0.15 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.98 2wnl s LEU 52 CO 0.01 0.12 -0.16 -0.69 0.23 0.00 0.00 176.35 175.86 2wnl s VAL 53 N -1.58 1.58 0.22 -1.59 1.01 0.30 -0.54 120.40 119.79 2wnl s VAL 53 Ca 0.27 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 2wnl s VAL 53 Cb -0.10 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 2wnl s VAL 53 CO 0.19 0.46 0.43 -0.72 0.00 0.00 0.00 175.10 175.45 2wnl s TYR 54 N 0.90 0.32 0.08 5.22 -0.85 -0.85 -0.67 117.35 121.50 2wnl s TYR 54 Ca -0.08 -0.67 0.10 0.00 -0.52 0.00 0.00 57.07 55.89 2wnl s TYR 54 Cb -0.15 0.14 -0.03 0.00 0.38 0.00 0.00 41.96 42.29 2wnl s TYR 54 CO -0.01 -0.90 -0.26 1.52 -1.52 0.00 0.00 175.55 174.38 2wnl s TYR 55 N -3.99 2.34 -0.30 -3.49 -0.85 -0.79 -0.85 117.35 109.42 2wnl s TYR 55 Ca 0.19 -0.39 0.01 0.00 -0.52 0.00 0.00 57.07 56.37 2wnl s TYR 55 Cb 0.01 -1.34 0.06 0.00 0.38 0.00 0.00 41.96 41.07 2wnl s TYR 55 CO 0.05 0.22 -0.03 -2.00 -1.52 0.00 0.00 175.55 172.27 2wnl s GLU 56 N -1.57 2.20 -0.12 -3.49 2.12 -0.75 -0.91 118.70 116.18 2wnl s GLU 56 Ca 0.13 -1.42 -0.29 0.00 0.36 0.00 0.00 54.97 53.76 2wnl s GLU 56 Cb -0.10 -3.09 -0.01 0.00 0.26 0.00 0.00 34.13 31.19 2wnl s GLU 56 CO 0.04 -0.67 0.98 -1.14 -0.54 0.00 0.00 175.26 173.92 2wnl s GLN 57 N 1.14 4.39 -0.05 4.30 0.74 0.12 -3.40 119.66 126.89 2wnl s GLN 57 Ca -0.04 1.32 0.06 0.00 0.05 0.00 0.00 55.36 56.75 2wnl s GLN 57 Cb -0.20 -3.55 -0.02 0.00 1.10 0.00 0.00 33.01 30.34 2wnl s GLN 57 CO -0.04 -0.33 -0.23 -0.65 -0.55 0.00 0.00 175.29 173.50 2wnl s GLN 58 N 2.09 2.47 -0.02 1.67 -0.21 -0.37 -1.87 119.66 123.42 2wnl s GLN 58 Ca 0.46 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 54.98 2wnl s GLN 58 Cb -0.18 -2.20 0.02 0.00 1.00 0.00 0.00 33.01 31.65 2wnl s GLN 58 CO 0.16 0.46 0.01 1.03 -2.12 0.00 0.00 175.29 174.83 2wnl s ARG 59 N -0.36 0.11 0.23 2.91 0.52 -0.66 -1.92 118.95 119.78 2wnl s ARG 59 Ca 0.02 0.08 -0.15 0.00 -0.52 0.00 0.00 55.73 55.16 2wnl s ARG 59 Cb -0.12 -0.26 0.01 0.00 0.52 0.00 0.00 34.95 35.09 2wnl s ARG 59 CO 0.02 -0.09 0.51 1.67 0.02 0.00 0.00 175.30 177.42 2wnl s TRP 60 N 0.68 0.17 -0.05 -0.53 -2.14 -1.01 -1.31 118.94 114.75 2wnl s TRP 60 Ca -0.06 -0.54 0.01 0.00 2.66 0.00 0.00 56.10 58.17 2wnl s TRP 60 Cb -0.09 0.29 0.02 0.00 -3.10 0.00 0.00 33.47 30.60 2wnl s TRP 60 CO -0.02 -0.99 -0.05 0.21 -2.66 0.00 0.00 176.95 173.45 2wnl s LYS 61 N -3.96 0.90 -0.10 3.25 2.20 -1.26 0.19 119.74 120.95 2wnl s LYS 61 Ca 0.17 -0.13 0.04 0.00 -0.36 0.00 0.00 55.97 55.69 2wnl s LYS 61 Cb -0.01 -0.90 0.00 0.00 -1.51 0.00 0.00 37.83 35.41 2wnl s LYS 61 CO 0.05 -0.08 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.22 2wnl s LEU 62 N 0.93 2.04 0.59 5.43 1.43 -0.22 -4.94 118.68 123.94 2wnl s LEU 62 Ca -0.11 -0.53 0.29 0.00 -1.03 0.00 0.00 54.13 52.74 2wnl s LEU 62 Cb -0.14 -1.35 1.68 0.00 0.03 0.00 0.00 46.19 46.41 2wnl s LEU 62 CO 0.00 0.14 2.13 0.78 0.23 0.00 0.00 176.35 179.64 2wnl h ASN 63 N 6.76 0.00 0.58 2.29 -0.26 -1.90 -2.00 115.58 121.06 2wnl h ASN 63 Ca -0.21 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.53 2wnl h ASN 63 Cb 1.23 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 2wnl h ASN 63 CO 0.47 0.00 -0.01 -1.54 -1.06 0.00 0.00 177.43 175.30 2wnl n SER 64 N -3.83 0.02 -0.86 5.81 3.41 -1.26 -3.12 113.62 113.79 2wnl n SER 64 Ca 0.01 -0.13 0.08 0.00 -0.26 0.00 0.00 58.87 58.56 2wnl n SER 64 Cb 0.27 -0.28 0.19 0.00 -0.26 0.00 0.00 64.21 64.13 2wnl n SER 64 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wnl n LEU 65 N -1.28 3.14 -4.78 1.04 4.77 -0.75 -4.98 117.00 114.15 2wnl n LEU 65 Ca 0.14 -1.82 -0.37 0.00 -0.03 0.00 0.00 56.01 53.93 2wnl n LEU 65 Cb 0.25 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 2wnl n LEU 65 CO 0.23 0.76 0.73 -0.04 -1.33 0.00 0.00 177.39 177.74 2wnl s MET 66 N -1.06 4.22 0.19 3.23 -1.94 -1.18 -3.81 119.30 118.95 2wnl s MET 66 Ca 0.30 1.51 -0.17 0.00 -1.71 0.00 0.00 55.69 55.62 2wnl s MET 66 Cb 0.16 -2.58 0.03 0.00 2.01 0.00 0.00 34.83 34.45 2wnl s MET 66 CO 0.22 -0.09 0.51 1.67 -0.01 0.00 0.00 175.02 177.32 2wnl s TRP 67 N -1.64 -0.13 -0.40 -0.03 -2.14 0.06 -4.94 118.94 109.71 2wnl s TRP 67 Ca 0.57 -0.20 -0.16 0.00 2.66 0.00 0.00 56.10 58.96 2wnl s TRP 67 Cb -0.22 0.38 0.01 0.00 -3.10 0.00 0.00 33.47 30.54 2wnl s TRP 67 CO 0.28 -0.89 0.36 0.34 -2.66 0.00 0.00 176.95 174.38 2wnl s ASP 68 N -2.86 6.15 0.59 -2.66 -1.08 -1.26 -4.65 116.67 110.90 2wnl s ASP 68 Ca 0.08 -0.69 0.29 0.00 -0.52 0.00 0.00 52.55 51.71 2wnl s ASP 68 Cb -0.01 -2.19 1.60 0.00 -1.46 0.00 0.00 42.92 40.86 2wnl s ASP 68 CO -0.04 -0.48 2.03 -0.65 0.52 0.00 0.00 175.17 176.55 2wnl h PRO 69 N 8.64 0.00 -0.87 4.34 0.11 -1.92 -0.46 132.00 141.83 2wnl h PRO 69 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 2wnl h PRO 69 Cb 1.12 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 2wnl h PRO 69 CO 0.75 0.00 0.51 -0.91 -0.21 0.00 0.00 178.00 178.14 2wnl h ASN 70 N 0.00 1.06 0.75 -2.05 -0.26 -1.93 0.67 115.58 113.82 2wnl h ASN 70 Ca 0.13 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 2wnl h ASN 70 Cb 0.71 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 2wnl h ASN 70 CO -0.00 0.82 0.00 -0.62 -1.06 0.00 0.00 177.43 176.57 2wnl n GLU 71 N -4.36 0.10 -2.77 0.81 1.02 -0.19 -4.21 120.64 111.05 2wnl n GLU 71 Ca 0.09 0.06 -0.13 0.00 -0.02 0.00 0.00 57.16 57.17 2wnl n GLU 71 Cb 0.07 -1.50 0.01 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 -1.44 1.23 -2.27 -0.32 4.01 -0.88 -4.96 117.16 112.53 2wnl n TYR 72 Ca 0.08 -3.10 -0.18 0.00 -0.16 0.00 0.00 57.90 54.54 2wnl n TYR 72 Cb 0.27 -0.37 -0.02 0.00 -0.31 0.00 0.00 39.34 38.91 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 -0.03 -0.13 2.79 2.72 0.00 -1.21 -1.70 105.19 107.64 2wnl n GLY 73 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.80 -6.10 -4.63 1.61 5.15 0.23 -4.95 115.26 104.76 2wnl n ASN 74 Ca -0.21 -0.19 -0.43 0.00 -0.60 0.00 0.00 54.58 53.15 2wnl n ASN 74 Cb 0.65 -4.98 -0.02 0.00 -0.53 0.00 0.00 39.78 34.90 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 -3.14 4.26 -0.20 -1.44 1.01 -0.69 -4.89 121.20 116.12 2wnl s ILE 75 Ca 0.19 1.44 0.22 0.00 0.00 0.00 0.00 60.65 62.50 2wnl s ILE 75 Cb -0.08 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 38.09 2wnl s ILE 75 CO 0.24 -0.47 0.95 0.35 0.00 0.00 0.00 174.94 176.00 2wnl n THR 76 N 6.07 0.60 -3.56 2.92 -2.24 -1.26 -4.49 114.28 112.32 2wnl n THR 76 Ca 0.14 -0.56 -0.07 0.00 -2.27 0.00 0.00 64.05 61.29 2wnl n THR 76 Cb 0.47 -0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 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 -5.29 -0.30 0.02 3.42 1.47 -1.26 -1.31 116.67 113.42 2wnl s ASP 77 Ca -0.02 -0.08 -0.11 0.00 1.18 0.00 0.00 52.55 53.53 2wnl s ASP 77 Cb 0.10 0.38 0.01 0.00 -0.34 0.00 0.00 42.92 43.06 2wnl s ASP 77 CO 0.81 -0.63 0.22 0.72 0.68 0.00 0.00 175.17 176.97 2wnl s PHE 78 N -3.07 -0.02 0.04 2.11 -0.12 0.01 -4.99 117.98 111.95 2wnl s PHE 78 Ca 0.07 -0.10 -0.17 0.00 -0.05 0.00 0.00 56.93 56.69 2wnl s PHE 78 Cb -0.01 0.01 -0.06 0.00 -0.63 0.00 0.00 43.02 42.33 2wnl s PHE 78 CO -0.06 -0.40 0.48 1.03 -0.05 0.00 0.00 175.22 176.22 2wnl s ARG 79 N -2.03 4.04 -0.08 1.99 3.00 -1.26 -0.28 118.95 124.33 2wnl s ARG 79 Ca -0.09 0.55 -0.18 0.00 0.00 0.00 0.00 55.73 56.01 2wnl s ARG 79 Cb -0.03 -3.20 0.04 0.00 0.00 0.00 0.00 34.95 31.75 2wnl s ARG 79 CO -0.01 0.65 0.43 -0.08 0.00 0.00 0.00 175.30 176.29 2wnl s THR 80 N -1.12 0.03 0.39 0.02 -1.32 -0.20 -4.96 115.64 108.47 2wnl s THR 80 Ca 0.27 -0.21 -0.26 0.00 -1.21 0.00 0.00 61.69 60.28 2wnl s THR 80 Cb -0.18 -0.69 -0.11 0.00 -1.51 0.00 0.00 72.50 70.02 2wnl s THR 80 CO 0.16 -0.12 1.20 -0.24 -2.21 0.00 0.00 174.62 173.41 2wnl n SER 81 N 1.79 2.21 0.21 8.08 2.88 -1.26 0.43 113.62 127.96 2wnl n SER 81 Ca -0.18 1.12 0.15 0.00 -1.33 0.00 0.00 58.87 58.63 2wnl n SER 81 Cb 0.56 -1.45 0.64 0.00 -0.75 0.00 0.00 64.21 63.22 2wnl n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wnl h ALA 82 N 2.07 1.00 0.00 -1.46 0.00 -0.87 -2.42 119.26 117.58 2wnl h ALA 82 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wnl h ALA 82 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2wnl h ALA 82 CO 0.60 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.85 2wnl h ALA 83 N 2.11 1.00 0.00 0.00 0.00 -1.90 -3.25 119.26 117.22 2wnl h ALA 83 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2wnl h ALA 83 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2wnl h ALA 83 CO 0.00 0.00 -0.14 -0.44 0.00 0.00 0.00 179.25 178.67 2wnl h ASP 84 N 0.00 0.00 -0.93 0.00 3.32 -1.80 -3.47 116.42 113.55 2wnl h ASP 84 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 2wnl h ASP 84 Cb 0.86 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.28 2wnl h ASP 84 CO 0.00 0.14 -0.55 0.27 -1.72 0.00 0.00 179.24 177.38 2wnl s ILE 85 N -3.16 1.54 0.15 0.35 -4.36 -1.23 -5.05 121.20 109.44 2wnl s ILE 85 Ca 0.06 -1.99 -0.27 0.00 -0.26 0.00 0.00 60.65 58.20 2wnl s ILE 85 Cb 0.06 -2.53 -0.08 0.00 1.25 0.00 0.00 42.46 41.17 2wnl s ILE 85 CO 0.69 0.00 0.82 0.86 0.24 0.00 0.00 174.94 177.55 2wnl s TRP 86 N -2.80 3.89 0.07 1.37 -0.00 -1.26 -4.97 118.94 115.23 2wnl s TRP 86 Ca 0.19 1.68 0.04 0.00 -0.00 0.00 0.00 56.10 58.01 2wnl s TRP 86 Cb 0.05 -2.84 -0.03 0.00 -0.00 0.00 0.00 33.47 30.65 2wnl s TRP 86 CO 0.10 0.44 -0.12 0.95 -0.00 0.00 0.00 176.95 178.32 2wnl s THR 87 N -0.87 0.96 0.52 5.86 -4.23 -1.26 -5.12 115.64 111.51 2wnl s THR 87 Ca 0.38 -1.35 -0.18 0.00 -1.18 0.00 0.00 61.69 59.37 2wnl s THR 87 Cb -0.23 -1.05 -0.07 0.00 1.34 0.00 0.00 72.50 72.49 2wnl s THR 87 CO 0.27 -0.34 1.02 -2.16 -0.54 0.00 0.00 174.62 172.87 2wnl s PRO 88 N -1.97 3.73 -0.56 3.99 0.04 -1.26 -4.98 135.00 133.99 2wnl s PRO 88 Ca -0.02 1.17 -0.03 0.00 0.04 0.00 0.00 61.00 62.16 2wnl s PRO 88 Cb -0.08 -2.09 0.15 0.00 0.04 0.00 0.00 34.50 32.51 2wnl s PRO 88 CO 0.01 -0.47 2.55 -0.40 0.04 0.00 0.00 177.00 178.73 2wnl n ASP 89 N -1.47 6.77 -4.66 6.66 5.75 -1.26 -4.96 116.55 123.37 2wnl n ASP 89 Ca 0.08 -3.38 -0.42 0.00 -0.01 0.00 0.00 54.79 51.06 2wnl n ASP 89 Cb 0.53 -1.18 -0.03 0.00 -1.03 0.00 0.00 41.12 39.42 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 -3.02 3.74 0.10 2.12 -1.09 -1.26 -2.96 121.20 118.83 2wnl s ILE 90 Ca 0.56 0.94 0.08 0.00 -2.23 0.00 0.00 60.65 59.99 2wnl s ILE 90 Cb 0.40 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.64 2wnl s ILE 90 CO -0.26 -0.07 -0.19 -0.89 -1.23 0.00 0.00 174.94 172.29 2wnl s THR 91 N 3.70 1.59 -0.10 2.92 2.01 0.13 -4.88 115.64 121.01 2wnl s THR 91 Ca 0.68 -1.55 -0.21 0.00 0.31 0.00 0.00 61.69 60.92 2wnl s THR 91 Cb -0.31 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 2wnl s THR 91 CO 0.26 -0.13 0.62 0.00 -0.69 0.00 0.00 174.62 174.67 2wnl s ALA 92 N -1.32 3.41 -0.78 7.40 0.00 -1.26 -1.38 121.76 127.83 2wnl s ALA 92 Ca 0.06 -0.02 0.26 0.00 0.00 0.00 0.00 51.96 52.25 2wnl s ALA 92 Cb -0.09 -2.86 0.76 0.00 0.00 0.00 0.00 23.12 20.93 2wnl s ALA 92 CO 0.04 -0.13 1.68 0.66 0.00 0.00 0.00 175.76 178.01 2wnl n TYR 93 N 3.91 0.62 -2.09 0.00 4.01 -0.11 -3.73 117.16 119.77 2wnl n TYR 93 Ca -0.03 0.18 0.01 0.00 -0.16 0.00 0.00 57.90 57.90 2wnl n TYR 93 Cb 0.51 -0.75 0.10 0.00 -0.31 0.00 0.00 39.34 38.89 2wnl n TYR 93 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2wnl n SER 94 N -2.04 1.86 -4.76 7.72 3.41 -1.26 -5.01 113.62 113.54 2wnl n SER 94 Ca 0.05 -3.03 -0.38 0.00 -0.26 0.00 0.00 58.87 55.24 2wnl n SER 94 Cb 0.41 -0.42 0.01 0.00 -0.26 0.00 0.00 64.21 63.95 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 -2.92 5.94 0.00 4.04 1.04 -1.24 -1.72 113.70 118.83 2wnl s SER 95 Ca 0.37 2.58 0.14 0.00 0.48 0.00 0.00 55.95 59.52 2wnl s SER 95 Cb 0.38 -2.63 -0.02 0.00 0.10 0.00 0.00 66.02 63.85 2wnl s SER 95 CO -0.09 -1.10 0.77 0.35 0.98 0.00 0.00 173.24 174.15 2wnl n THR 96 N -0.43 0.00 -3.79 2.02 -2.24 0.33 -4.86 114.28 105.31 2wnl n THR 96 Ca 0.07 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 2wnl n THR 96 Cb 0.45 1.15 -0.08 0.00 -2.10 0.00 0.00 70.33 69.75 2wnl n THR 96 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2wnl s ARG 97 N -1.79 0.68 0.28 -0.78 6.06 -1.25 -5.04 118.95 117.12 2wnl s ARG 97 Ca 0.11 -0.39 -0.30 0.00 -2.50 0.00 0.00 55.73 52.66 2wnl s ARG 97 Cb 0.11 0.29 -0.11 0.00 0.06 0.00 0.00 34.95 35.31 2wnl s ARG 97 CO 0.38 -0.20 1.50 -2.14 -2.50 0.00 0.00 175.30 172.34 2wnl s PRO 98 N -1.89 4.20 0.37 5.12 0.02 -1.26 -4.66 135.00 136.91 2wnl s PRO 98 Ca -0.10 2.43 -0.28 0.00 0.02 0.00 0.00 61.00 63.07 2wnl s PRO 98 Cb -0.04 -3.06 -0.11 0.00 0.02 0.00 0.00 34.50 31.31 2wnl s PRO 98 CO 0.00 -0.51 1.49 0.08 -0.33 0.00 0.00 177.00 177.74 2wnl s VAL 99 N -0.12 2.04 -0.21 3.83 1.01 -1.26 -4.88 120.40 120.81 2wnl s VAL 99 Ca 0.60 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.54 2wnl s VAL 99 Cb -0.45 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2wnl s VAL 99 CO 0.47 0.01 0.08 -1.10 0.00 0.00 0.00 175.10 174.55 2wnl s GLN 100 N -2.05 3.88 -0.13 2.72 -0.21 -0.96 -4.97 119.66 117.93 2wnl s GLN 100 Ca 0.53 -0.38 -0.25 0.00 0.02 0.00 0.00 55.36 55.28 2wnl s GLN 100 Cb -0.47 -3.28 -0.02 0.00 1.00 0.00 0.00 33.01 30.24 2wnl s GLN 100 CO 0.63 0.10 0.81 0.08 -2.12 0.00 0.00 175.29 174.79 2wnl s VAL 101 N 0.85 4.93 -1.02 1.09 1.01 -1.26 -1.38 120.40 124.61 2wnl s VAL 101 Ca 0.04 1.61 0.12 0.00 0.00 0.00 0.00 61.98 63.75 2wnl s VAL 101 Cb -0.14 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 2wnl s VAL 101 CO 0.02 0.10 0.67 0.18 0.00 0.00 0.00 175.10 176.08 2wnl n LEU 102 N 4.72 1.21 -4.25 3.92 4.77 0.10 -4.98 117.00 122.49 2wnl n LEU 102 Ca 0.03 -0.72 -0.17 0.00 -0.03 0.00 0.00 56.01 55.12 2wnl n LEU 102 Cb 0.50 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.48 2wnl n LEU 102 CO 0.48 0.24 -0.44 -0.94 -1.33 0.00 0.00 177.39 175.41 2wnl s SER 103 N -1.66 1.98 0.61 -1.43 1.04 -1.24 -4.91 113.70 108.09 2wnl s SER 103 Ca 0.09 -0.87 -0.19 0.00 0.48 0.00 0.00 55.95 55.45 2wnl s SER 103 Cb 0.10 -0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 2wnl s SER 103 CO 0.34 -0.19 1.24 -2.65 0.98 0.00 0.00 173.24 172.96 2wnl n PRO 104 N 0.28 1.24 -2.90 4.02 -0.02 -1.26 -4.83 135.00 131.53 2wnl n PRO 104 Ca -0.14 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 2wnl n PRO 104 Cb 0.58 -2.46 0.01 0.00 -0.02 0.00 0.00 33.50 31.61 2wnl n PRO 104 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wnl n GLN 105 N -1.43 4.34 -4.91 -0.52 6.02 -1.26 -4.92 117.38 114.70 2wnl n GLN 105 Ca 0.14 -4.39 -0.27 0.00 -0.01 0.00 0.00 57.00 52.46 2wnl n GLN 105 Cb 0.47 -2.58 -0.16 0.00 1.02 0.00 0.00 30.24 28.99 2wnl n GLN 105 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2wnl s ILE 106 N -2.26 1.55 0.40 5.09 1.01 -1.26 -0.16 121.20 125.57 2wnl s ILE 106 Ca 0.32 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 60.27 2wnl s ILE 106 Cb 0.05 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 2wnl s ILE 106 CO 0.09 0.44 0.45 0.00 0.00 0.00 0.00 174.94 175.92 2wnl s ALA 107 N 0.04 4.22 -0.18 9.38 0.00 0.17 -4.70 121.76 130.69 2wnl s ALA 107 Ca -0.05 -1.75 -0.00 0.00 0.00 0.00 0.00 51.96 50.16 2wnl s ALA 107 Cb -0.12 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.70 2wnl s ALA 107 CO 0.03 -0.20 -0.16 0.08 0.00 0.00 0.00 175.76 175.51 2wnl s VAL 108 N -2.39 2.49 -0.19 0.00 1.01 -0.61 -1.04 120.40 119.68 2wnl s VAL 108 Ca 0.50 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 2wnl s VAL 108 Cb -0.06 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2wnl s VAL 108 CO 0.30 0.51 0.07 -0.69 0.00 0.00 0.00 175.10 175.29 2wnl s VAL 109 N 1.16 4.89 0.16 2.92 1.01 0.62 -1.54 120.40 129.63 2wnl s VAL 109 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.05 2wnl s VAL 109 Cb -0.14 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2wnl s VAL 109 CO -0.07 0.46 0.09 -0.89 0.00 0.00 0.00 175.10 174.69 2wnl s THR 110 N 0.38 4.28 0.61 3.92 2.01 0.40 -0.81 115.64 126.44 2wnl s THR 110 Ca 0.04 -1.14 0.35 0.00 0.31 0.00 0.00 61.69 61.24 2wnl s THR 110 Cb -0.12 -3.17 0.38 0.00 0.01 0.00 0.00 72.50 69.61 2wnl s THR 110 CO -0.00 -0.09 2.29 1.12 -0.69 0.00 0.00 174.62 177.25 2wnl h HIS 111 N 2.57 0.00 0.00 4.92 2.07 -1.49 0.27 115.15 123.49 2wnl h HIS 111 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 2wnl h HIS 111 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 2wnl h HIS 111 CO 0.59 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.06 2wnl n ASP 112 N -3.59 0.00 0.00 3.10 5.75 -1.26 -0.77 116.55 119.79 2wnl n ASP 112 Ca -0.03 -1.11 0.00 0.00 -0.01 0.00 0.00 54.79 53.64 2wnl n ASP 112 Cb 0.08 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 2wnl n ASP 112 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wnl n GLY 113 N 0.82 0.73 3.84 6.12 0.00 0.95 -4.66 105.19 112.99 2wnl n GLY 113 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.59 6.78 -0.03 1.61 1.04 -1.20 -1.06 113.70 118.26 2wnl s SER 114 Ca 0.00 1.39 0.04 0.00 0.48 0.00 0.00 55.95 57.86 2wnl s SER 114 Cb 0.00 -2.42 -0.01 0.00 0.10 0.00 0.00 66.02 63.70 2wnl s SER 114 CO 0.00 -0.29 -0.15 -0.69 0.98 0.00 0.00 173.24 173.09 2wnl s VAL 115 N -2.11 1.22 -0.12 5.02 1.01 0.13 -0.45 120.40 125.09 2wnl s VAL 115 Ca 0.56 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2wnl s VAL 115 Cb -0.10 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.26 2wnl s VAL 115 CO 0.18 0.35 -0.15 -0.32 0.00 0.00 0.00 175.10 175.17 2wnl s MET 116 N -0.09 2.25 -0.08 2.72 0.00 -0.59 -2.40 119.30 121.11 2wnl s MET 116 Ca 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 55.69 55.13 2wnl s MET 116 Cb -0.09 -1.97 0.03 0.00 0.00 0.00 0.00 34.83 32.80 2wnl s MET 116 CO 0.01 -0.13 -0.03 0.12 0.00 0.00 0.00 175.02 174.99 2wnl s PHE 117 N 1.17 0.94 -0.66 4.11 5.36 -0.81 -1.58 117.98 126.52 2wnl s PHE 117 Ca -0.02 -0.35 0.05 0.00 -0.96 0.00 0.00 56.93 55.64 2wnl s PHE 117 Cb -0.14 -0.93 0.19 0.00 -0.34 0.00 0.00 43.02 41.80 2wnl s PHE 117 CO -0.05 -0.37 0.55 -0.89 -1.46 0.00 0.00 175.22 173.00 2wnl n ILE 118 N 4.97 1.57 -2.42 3.12 5.41 -1.26 -1.24 119.36 129.51 2wnl n ILE 118 Ca -0.10 -4.84 -0.42 0.00 1.00 0.00 0.00 62.75 58.39 2wnl n ILE 118 Cb 0.50 -2.12 -0.03 0.00 -0.71 0.00 0.00 39.64 37.28 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 -1.63 4.46 -0.17 0.38 0.04 -1.22 -4.73 135.00 132.13 2wnl s PRO 119 Ca 0.30 1.78 -0.15 0.00 0.04 0.00 0.00 61.00 62.97 2wnl s PRO 119 Cb 0.02 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 2wnl s PRO 119 CO -0.13 -0.20 0.35 0.00 0.04 0.00 0.00 177.00 177.07 2wnl s ALA 120 N 0.74 3.56 0.07 8.56 0.00 -1.26 -1.81 121.76 131.62 2wnl s ALA 120 Ca 0.57 -0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.12 2wnl s ALA 120 Cb -0.30 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 2wnl s ALA 120 CO 0.31 -0.04 -0.10 -0.65 0.00 0.00 0.00 175.76 175.27 2wnl s GLN 121 N 0.75 0.70 -0.21 0.00 -0.21 -0.03 0.03 119.66 120.68 2wnl s GLN 121 Ca 0.19 -0.93 -0.07 0.00 0.02 0.00 0.00 55.36 54.57 2wnl s GLN 121 Cb -0.14 -0.50 -0.03 0.00 1.00 0.00 0.00 33.01 33.33 2wnl s GLN 121 CO 0.06 0.09 0.05 0.50 -2.12 0.00 0.00 175.29 173.88 2wnl s ARG 122 N -1.99 3.76 -0.09 2.91 3.52 -0.48 -2.00 118.95 124.58 2wnl s ARG 122 Ca -0.03 -0.44 0.04 0.00 -0.13 0.00 0.00 55.73 55.16 2wnl s ARG 122 Cb -0.08 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 2wnl s ARG 122 CO 0.01 0.03 -0.21 -1.17 -0.81 0.00 0.00 175.30 173.14 2wnl s LEU 123 N 1.03 1.98 -0.23 -0.88 2.96 0.30 -2.28 118.68 121.56 2wnl s LEU 123 Ca 0.04 -0.50 -0.10 0.00 -0.22 0.00 0.00 54.13 53.35 2wnl s LEU 123 Cb -0.14 -1.27 -0.05 0.00 0.50 0.00 0.00 46.19 45.23 2wnl s LEU 123 CO 0.03 0.13 0.13 -0.44 -1.32 0.00 0.00 176.35 174.88 2wnl s SER 124 N 0.43 5.92 0.10 3.68 0.01 -1.26 -0.40 113.70 122.18 2wnl s SER 124 Ca -0.18 0.07 -0.06 0.00 1.31 0.00 0.00 55.95 57.10 2wnl s SER 124 Cb -0.17 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 2wnl s SER 124 CO 0.07 0.07 0.13 0.72 0.41 0.00 0.00 173.24 174.65 2wnl s PHE 125 N 1.01 0.41 -0.07 2.43 -0.12 -0.50 -0.52 117.98 120.63 2wnl s PHE 125 Ca 0.07 -0.85 -0.29 0.00 -0.05 0.00 0.00 56.93 55.80 2wnl s PHE 125 Cb -0.14 -0.21 -0.06 0.00 -0.63 0.00 0.00 43.02 41.98 2wnl s PHE 125 CO 0.04 -0.54 1.83 -1.64 -0.05 0.00 0.00 175.22 174.87 2wnl s MET 126 N -3.93 3.97 -0.28 1.99 -1.94 -0.70 -1.40 119.30 117.01 2wnl s MET 126 Ca 0.11 2.24 -0.14 0.00 -1.71 0.00 0.00 55.69 56.19 2wnl s MET 126 Cb 0.06 -4.11 0.09 0.00 2.01 0.00 0.00 34.83 32.88 2wnl s MET 126 CO -0.06 -1.12 0.66 0.00 -0.01 0.00 0.00 175.02 174.49 2wnl s ASP 128 N 2.01 6.29 -0.01 0.00 2.15 -1.26 -3.21 116.67 122.63 2wnl s ASP 128 Ca -0.09 -0.59 0.01 0.00 0.43 0.00 0.00 52.55 52.31 2wnl s ASP 128 Cb -0.07 -2.36 0.03 0.00 -0.30 0.00 0.00 42.92 40.22 2wnl s ASP 128 CO -0.19 -1.03 0.58 -0.81 -0.17 0.00 0.00 175.17 173.55 2wnl n PRO 129 N 6.75 1.16 -1.71 4.34 -0.04 -1.26 -4.67 135.00 139.58 2wnl n PRO 129 Ca -0.02 -0.13 -0.43 0.00 -0.04 0.00 0.00 63.50 62.88 2wnl n PRO 129 Cb 0.47 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.00 0.10 -0.02 0.52 -1.04 -1.26 -1.87 114.28 110.70 2wnl n THR 130 Ca 0.01 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2wnl n THR 130 Cb 0.28 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 66.80 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 4.00 0.35 0.29 3.41 0.00 -1.26 -4.46 105.19 107.51 2wnl n GLY 131 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 0.73 -0.47 1.61 3.04 -1.57 0.27 116.25 119.86 2wnl h VAL 132 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2wnl h VAL 132 Cb 0.00 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 2wnl h VAL 132 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.57 175.66 2wnl n ASP 133 N -4.16 3.33 -4.90 3.17 5.75 -1.26 0.51 116.55 118.99 2wnl n ASP 133 Ca -0.02 -2.25 -0.24 0.00 -0.01 0.00 0.00 54.79 52.27 2wnl n ASP 133 Cb 0.12 -0.45 -0.01 0.00 -1.03 0.00 0.00 41.12 39.75 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 -0.82 4.77 0.12 -1.12 1.04 0.08 -4.97 113.70 112.80 2wnl s SER 134 Ca 0.35 -1.06 0.07 0.00 0.48 0.00 0.00 55.95 55.79 2wnl s SER 134 Cb 0.22 0.08 -0.20 0.00 0.10 0.00 0.00 66.02 66.22 2wnl s SER 134 CO 0.18 -0.97 1.26 -0.08 0.98 0.00 0.00 173.24 174.61 2wnl h GLU 135 N 0.81 0.00 -0.01 4.02 4.81 -1.91 -3.19 114.58 119.11 2wnl h GLU 135 Ca -0.38 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.67 2wnl h GLU 135 Cb 1.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 2wnl h GLU 135 CO 0.56 0.97 -0.81 0.93 -0.73 0.00 0.00 179.01 179.93 2wnl h GLU 136 N 0.00 0.18 0.00 1.92 3.07 -1.96 -3.50 114.58 114.29 2wnl h GLU 136 Ca -0.02 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 2wnl h GLU 136 Cb 1.77 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.73 2wnl h GLU 136 CO 0.13 0.90 0.00 0.41 -1.40 0.00 0.00 179.01 179.04 2wnl n GLY 137 N 0.74 -2.12 3.90 -3.84 0.00 -1.20 -4.86 105.19 97.81 2wnl n GLY 137 Ca -0.03 -1.66 -0.21 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.29 3.77 -0.04 4.61 0.00 0.18 -4.36 121.76 124.63 2wnl s ALA 138 Ca 0.00 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 50.65 2wnl s ALA 138 Cb 0.00 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.62 2wnl s ALA 138 CO 0.00 0.23 -0.09 0.99 0.00 0.00 0.00 175.76 176.89 2wnl s THR 139 N -2.07 0.85 0.10 0.00 2.01 -1.26 -1.98 115.64 113.30 2wnl s THR 139 Ca 0.34 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 62.00 2wnl s THR 139 Cb -0.08 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 2wnl s THR 139 CO 0.27 0.27 -0.08 0.00 -0.69 0.00 0.00 174.62 174.39 2wnl s ALA 141 N -3.04 -0.52 -0.11 0.00 0.00 -1.26 -1.32 121.76 115.52 2wnl s ALA 141 Ca 0.09 0.58 -0.06 0.00 0.00 0.00 0.00 51.96 52.57 2wnl s ALA 141 Cb 0.01 -0.34 0.04 0.00 0.00 0.00 0.00 23.12 22.84 2wnl s ALA 141 CO -0.02 -0.10 0.26 0.54 0.00 0.00 0.00 175.76 176.44 2wnl s VAL 142 N 0.09 -0.03 0.16 0.00 0.11 -0.49 -4.91 120.40 115.33 2wnl s VAL 142 Ca -0.00 0.12 -0.13 0.00 -2.93 0.00 0.00 61.98 59.04 2wnl s VAL 142 Cb -0.02 -0.40 -0.07 0.00 -1.53 0.00 0.00 36.38 34.37 2wnl s VAL 142 CO 0.00 0.05 0.53 -0.54 -3.33 0.00 0.00 175.10 171.81 2wnl s LYS 143 N 1.08 3.91 -0.02 1.54 1.02 -1.26 -1.27 119.74 124.74 2wnl s LYS 143 Ca -0.08 0.40 0.06 0.00 0.02 0.00 0.00 55.97 56.37 2wnl s LYS 143 Cb -0.09 -2.86 -0.01 0.00 -0.52 0.00 0.00 37.83 34.35 2wnl s LYS 143 CO -0.07 0.44 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.55 2wnl s PHE 144 N -1.55 1.69 -0.09 3.18 0.08 0.45 -0.93 117.98 120.81 2wnl s PHE 144 Ca 0.40 -0.33 -0.28 0.00 0.12 0.00 0.00 56.93 56.84 2wnl s PHE 144 Cb -0.14 -1.09 0.09 0.00 -0.57 0.00 0.00 43.02 41.31 2wnl s PHE 144 CO 0.20 -0.04 1.24 0.41 -0.10 0.00 0.00 175.22 176.92 2wnl n GLY 145 N 2.66 0.11 3.77 4.36 0.00 -0.48 -0.29 105.19 115.32 2wnl n GLY 145 Ca -0.15 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 2wnl n GLY 145 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wnl s SER 146 N -3.69 6.42 0.04 1.61 0.15 -1.26 0.21 113.70 117.18 2wnl s SER 146 Ca 0.30 2.82 -0.12 0.00 0.70 0.00 0.00 55.95 59.64 2wnl s SER 146 Cb -0.00 -2.65 -0.33 0.00 -1.71 0.00 0.00 66.02 61.32 2wnl s SER 146 CO -0.03 -0.79 1.01 -0.25 1.20 0.00 0.00 173.24 174.38 2wnl h TRP 147 N 2.96 0.83 0.00 3.44 2.91 -1.90 -3.41 115.95 120.78 2wnl h TRP 147 Ca -0.50 -0.60 0.00 0.00 1.13 0.00 0.00 58.89 58.92 2wnl h TRP 147 Cb 1.24 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.86 2wnl h TRP 147 CO 0.54 1.49 -0.89 1.33 -1.03 0.00 0.00 178.44 179.88 2wnl n VAL 148 N -3.65 0.00 -3.92 2.65 0.24 -1.26 -5.03 118.33 107.36 2wnl n VAL 148 Ca -0.15 -0.25 -0.28 0.00 -2.04 0.00 0.00 64.34 61.62 2wnl n VAL 148 Cb 1.08 0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 34.07 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 -2.18 3.50 0.57 6.34 2.02 -1.26 -5.12 117.35 121.21 2wnl s TYR 149 Ca 0.00 0.18 0.09 0.00 -0.37 0.00 0.00 57.07 56.97 2wnl s TYR 149 Cb 0.06 -1.71 0.07 0.00 -0.40 0.00 0.00 41.96 39.98 2wnl s TYR 149 CO 0.35 0.54 0.68 -1.54 -1.57 0.00 0.00 175.55 174.01 2wnl s SER 150 N -2.92 4.97 0.63 2.29 1.04 -1.26 -4.75 113.70 113.70 2wnl s SER 150 Ca 0.35 -0.96 0.39 0.00 0.48 0.00 0.00 55.95 56.21 2wnl s SER 150 Cb -0.12 0.33 2.17 0.00 0.10 0.00 0.00 66.02 68.50 2wnl s SER 150 CO 0.28 -1.27 2.31 1.23 0.98 0.00 0.00 173.24 176.77 2wnl h GLY 151 N 0.34 0.00 2.00 7.32 0.00 -1.24 0.56 103.07 112.04 2wnl h GLY 151 Ca -0.32 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 2wnl h GLY 151 CO 0.45 0.00 -0.34 0.74 0.00 0.00 0.00 176.54 177.39 2wnl h PHE 152 N 0.00 0.00 0.00 5.60 0.04 -1.95 -3.36 116.94 117.27 2wnl h PHE 152 Ca -0.00 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.52 2wnl h PHE 152 Cb 0.04 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.14 2wnl h PHE 152 CO 0.00 0.34 -1.92 0.39 -0.60 0.00 0.00 178.31 176.52 2wnl n GLU 153 N -3.88 0.40 -4.66 1.51 4.71 -0.59 -4.14 120.64 114.00 2wnl n GLU 153 Ca -0.01 0.10 -0.27 0.00 -0.01 0.00 0.00 57.16 56.97 2wnl n GLU 153 Cb 0.41 -1.30 -0.17 0.00 -1.01 0.00 0.00 31.44 29.37 2wnl n GLU 153 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2wnl s ILE 154 N -2.32 1.38 0.03 -3.67 1.01 0.08 -1.39 121.20 116.32 2wnl s ILE 154 Ca -0.22 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 59.87 2wnl s ILE 154 Cb 0.06 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 2wnl s ILE 154 CO 0.36 0.41 -0.08 -0.62 0.00 0.00 0.00 174.94 175.02 2wnl s ASP 155 N 0.70 4.53 0.25 3.58 2.15 -0.52 -3.66 116.67 123.70 2wnl s ASP 155 Ca -0.13 -0.22 0.09 0.00 0.43 0.00 0.00 52.55 52.72 2wnl s ASP 155 Cb -0.16 -1.00 -0.04 0.00 -0.30 0.00 0.00 42.92 41.42 2wnl s ASP 155 CO 0.03 0.25 0.02 -0.76 -0.17 0.00 0.00 175.17 174.55 2wnl s LEU 156 N -1.64 3.29 0.02 -1.34 1.43 -1.26 -0.98 118.68 118.20 2wnl s LEU 156 Ca 0.18 -0.56 -0.20 0.00 -1.03 0.00 0.00 54.13 52.52 2wnl s LEU 156 Cb -0.11 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.32 2wnl s LEU 156 CO 0.09 0.01 0.45 -0.75 0.23 0.00 0.00 176.35 176.39 2wnl s LYS 157 N -3.58 0.91 0.15 1.70 2.20 -0.61 -4.89 119.74 115.62 2wnl s LYS 157 Ca 0.31 -0.20 0.10 0.00 -0.36 0.00 0.00 55.97 55.81 2wnl s LYS 157 Cb -0.07 0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 2wnl s LYS 157 CO 0.20 -0.30 -0.22 0.95 -0.36 0.00 0.00 175.35 175.62 2wnl s THR 158 N -2.02 2.03 0.07 3.43 -4.23 -1.26 -0.48 115.64 113.18 2wnl s THR 158 Ca -0.08 -1.84 -0.09 0.00 -1.18 0.00 0.00 61.69 58.51 2wnl s THR 158 Cb -0.02 -1.89 -0.29 0.00 1.34 0.00 0.00 72.50 71.64 2wnl s THR 158 CO 0.01 -0.12 1.12 0.44 -0.54 0.00 0.00 174.62 175.53 2wnl h ASP 159 N 3.54 0.61 -5.37 3.99 3.45 -1.96 -3.47 116.42 117.20 2wnl h ASP 159 Ca -0.46 -0.62 -0.21 0.00 0.43 0.00 0.00 57.03 56.17 2wnl h ASP 159 Cb 1.19 -0.20 -0.15 0.00 -0.56 0.00 0.00 39.33 39.62 2wnl h ASP 159 CO 0.45 1.47 -0.64 0.28 -1.57 0.00 0.00 179.24 179.23 2wnl s THR 160 N -2.75 0.13 -2.74 0.35 -1.32 -1.26 -5.04 115.64 103.01 2wnl s THR 160 Ca -0.06 -1.94 0.22 0.00 -1.21 0.00 0.00 61.69 58.70 2wnl s THR 160 Cb 0.06 -2.19 0.18 0.00 -1.51 0.00 0.00 72.50 69.04 2wnl s THR 160 CO 0.91 -0.33 1.20 0.47 -2.21 0.00 0.00 174.62 174.66 2wnl n ASP 161 N -0.16 2.85 -4.59 8.08 10.43 -1.26 -4.82 116.55 127.08 2wnl n ASP 161 Ca -0.03 -1.92 -0.40 0.00 2.57 0.00 0.00 54.79 55.01 2wnl n ASP 161 Cb 0.64 -0.01 -0.09 0.00 1.84 0.00 0.00 41.12 43.51 2wnl n ASP 161 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 2wnl s GLN 162 N -1.82 3.90 0.33 -1.24 -1.52 -1.26 -0.88 119.66 117.17 2wnl s GLN 162 Ca 0.26 -0.07 -0.29 0.00 -1.95 0.00 0.00 55.36 53.31 2wnl s GLN 162 Cb 0.18 -3.69 -0.10 0.00 -0.22 0.00 0.00 33.01 29.18 2wnl s GLN 162 CO 0.28 -0.35 1.31 0.08 -0.25 0.00 0.00 175.29 176.36 2wnl s VAL 163 N 2.07 2.71 -0.33 1.09 1.01 -0.79 -4.90 120.40 121.27 2wnl s VAL 163 Ca 0.14 0.71 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 2wnl s VAL 163 Cb -0.16 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 2wnl s VAL 163 CO 0.11 0.17 1.48 -0.62 0.00 0.00 0.00 175.10 176.23 2wnl s ASP 164 N -0.46 6.36 -0.14 3.32 -1.08 -0.88 -4.85 116.67 118.95 2wnl s ASP 164 Ca 0.49 1.15 0.16 0.00 -0.52 0.00 0.00 52.55 53.83 2wnl s ASP 164 Cb -0.40 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.11 2wnl s ASP 164 CO 0.53 -1.35 1.50 0.18 0.52 0.00 0.00 175.17 176.55 2wnl n LEU 165 N 8.65 4.23 0.09 -1.34 4.77 -1.26 -2.55 117.00 129.59 2wnl n LEU 165 Ca 0.17 -2.65 0.13 0.00 -0.03 0.00 0.00 56.01 53.63 2wnl n LEU 165 Cb 0.47 -0.52 0.45 0.00 -2.33 0.00 0.00 43.42 41.50 2wnl n LEU 165 CO 0.67 0.72 0.88 -1.54 -1.33 0.00 0.00 177.39 176.79 2wnl n SER 166 N 0.30 0.61 -0.79 -1.43 3.41 -1.26 -2.66 113.62 111.80 2wnl n SER 166 Ca 0.22 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.49 2wnl n SER 166 Cb 0.85 -0.73 0.24 0.00 -0.26 0.00 0.00 64.21 64.31 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 -2.09 3.67 -4.75 4.04 7.64 -1.26 -5.04 113.62 115.83 2wnl n SER 167 Ca 0.05 -2.98 -0.41 0.00 1.01 0.00 0.00 58.87 56.54 2wnl n SER 167 Cb 0.35 -0.52 -0.04 0.00 -1.01 0.00 0.00 64.21 63.00 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 -2.76 3.51 -0.32 1.43 5.04 -1.09 -4.61 117.35 118.56 2wnl s TYR 168 Ca 0.40 1.59 -0.28 0.00 -2.44 0.00 0.00 57.07 56.34 2wnl s TYR 168 Cb 0.32 -3.34 -0.02 0.00 0.35 0.00 0.00 41.96 39.27 2wnl s TYR 168 CO 0.08 -0.81 1.85 -0.47 -1.34 0.00 0.00 175.55 174.87 2wnl s TYR 169 N -0.69 1.72 0.50 4.97 5.04 -0.16 -4.87 117.35 123.86 2wnl s TYR 169 Ca 0.48 0.62 0.19 0.00 -2.44 0.00 0.00 57.07 55.92 2wnl s TYR 169 Cb -0.32 -4.10 1.30 0.00 0.35 0.00 0.00 41.96 39.19 2wnl s TYR 169 CO 0.39 -3.08 2.11 0.00 -1.34 0.00 0.00 175.55 173.64 2wnl h ALA 170 N 13.21 1.78 -0.69 3.97 0.00 -1.91 -1.87 119.26 133.73 2wnl h ALA 170 Ca -0.34 -0.06 -0.38 0.00 0.00 0.00 0.00 54.91 54.13 2wnl h ALA 170 Cb 1.18 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.74 2wnl h ALA 170 CO 1.03 0.08 0.27 0.43 0.00 0.00 0.00 179.25 181.06 2wnl n SER 171 N -4.29 3.53 -4.76 0.00 7.64 -1.26 -5.01 113.62 109.46 2wnl n SER 171 Ca -0.03 -3.72 -0.32 0.00 1.01 0.00 0.00 58.87 55.82 2wnl n SER 171 Cb 0.15 -0.74 0.08 0.00 -1.01 0.00 0.00 64.21 62.69 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 -2.01 4.57 0.44 6.43 0.15 -0.71 -4.95 113.70 117.62 2wnl s SER 172 Ca 0.52 1.89 0.24 0.00 0.70 0.00 0.00 55.95 59.30 2wnl s SER 172 Cb 0.45 -2.53 0.94 0.00 -1.71 0.00 0.00 66.02 63.17 2wnl s SER 172 CO 0.04 -1.99 1.84 0.11 1.20 0.00 0.00 173.24 174.44 2wnl h LYS 173 N -0.86 0.00 -6.27 5.44 1.79 -1.91 -3.44 116.57 111.33 2wnl h LYS 173 Ca -0.44 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.34 2wnl h LYS 173 Cb 1.24 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 31.61 2wnl h LYS 173 CO 0.51 0.22 -0.84 0.71 -1.08 0.00 0.00 179.45 178.97 2wnl s TYR 174 N -3.67 2.51 -0.01 -1.35 2.02 -1.26 -0.43 117.35 115.15 2wnl s TYR 174 Ca 0.00 -0.44 -0.02 0.00 -0.37 0.00 0.00 57.07 56.25 2wnl s TYR 174 Cb 0.10 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 40.03 2wnl s TYR 174 CO 0.63 -0.03 0.12 -1.83 -1.57 0.00 0.00 175.55 172.88 2wnl s GLU 175 N -0.46 3.22 -0.24 -0.62 -1.05 -0.59 -4.85 118.70 114.11 2wnl s GLU 175 Ca 0.05 -0.41 -0.18 0.00 -0.15 0.00 0.00 54.97 54.28 2wnl s GLU 175 Cb -0.12 -2.96 -0.03 0.00 -0.44 0.00 0.00 34.13 30.59 2wnl s GLU 175 CO 0.01 0.66 0.52 0.42 0.95 0.00 0.00 175.26 177.83 2wnl s ILE 176 N -1.23 5.07 -0.07 1.83 -1.09 -1.26 -2.21 121.20 122.24 2wnl s ILE 176 Ca 0.24 0.92 -0.12 0.00 -2.23 0.00 0.00 60.65 59.46 2wnl s ILE 176 Cb -0.12 -3.84 -0.29 0.00 -1.58 0.00 0.00 42.46 36.63 2wnl s ILE 176 CO 0.15 0.11 0.60 -0.07 -1.23 0.00 0.00 174.94 174.50 2wnl h LEU 177 N 8.55 0.54 -7.04 2.97 3.38 0.01 -3.48 115.31 120.24 2wnl h LEU 177 Ca -0.30 -0.92 -0.06 0.00 0.09 0.00 0.00 57.88 56.68 2wnl h LEU 177 Cb 1.14 -0.18 -0.18 0.00 0.09 0.00 0.00 40.66 41.53 2wnl h LEU 177 CO 0.73 1.77 0.15 -0.94 0.09 0.00 0.00 178.44 180.24 2wnl s SER 178 N -7.21 -0.61 -0.16 -0.43 1.04 -1.01 -4.97 113.70 100.35 2wnl s SER 178 Ca -0.18 0.59 -0.04 0.00 0.48 0.00 0.00 55.95 56.81 2wnl s SER 178 Cb 0.05 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.77 2wnl s SER 178 CO 0.82 -0.63 0.17 0.00 0.98 0.00 0.00 173.24 174.58 2wnl s ALA 179 N -1.46 -0.04 0.24 5.32 0.00 -1.26 0.00 121.76 124.56 2wnl s ALA 179 Ca -0.10 0.17 0.11 0.00 0.00 0.00 0.00 51.96 52.14 2wnl s ALA 179 Cb -0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 2wnl s ALA 179 CO 0.07 -1.03 -0.20 0.95 0.00 0.00 0.00 175.76 175.54 2wnl s THR 180 N 2.26 2.30 -0.23 0.00 -4.23 -0.07 -1.88 115.64 113.79 2wnl s THR 180 Ca 0.05 -2.24 -0.04 0.00 -1.18 0.00 0.00 61.69 58.28 2wnl s THR 180 Cb -0.15 -2.18 0.08 0.00 1.34 0.00 0.00 72.50 71.59 2wnl s THR 180 CO -0.10 -0.34 0.09 0.00 -0.54 0.00 0.00 174.62 173.74 2wnl s GLN 181 N -3.23 0.29 -0.17 3.99 -2.07 -0.06 -1.40 119.66 117.02 2wnl s GLN 181 Ca 0.25 -0.39 0.00 0.00 -1.82 0.00 0.00 55.36 53.41 2wnl s GLN 181 Cb -0.05 -1.71 0.03 0.00 -1.09 0.00 0.00 33.01 30.19 2wnl s GLN 181 CO 0.12 -0.80 -0.12 0.99 -1.32 0.00 0.00 175.29 174.16 2wnl s THR 182 N 2.01 1.56 0.24 3.63 2.01 -0.69 -4.32 115.64 120.09 2wnl s THR 182 Ca 0.04 -0.75 -0.31 0.00 0.31 0.00 0.00 61.69 60.98 2wnl s THR 182 Cb -0.16 -1.54 -0.13 0.00 0.01 0.00 0.00 72.50 70.68 2wnl s THR 182 CO -0.19 0.34 1.55 -1.14 -0.69 0.00 0.00 174.62 174.49 2wnl n ARG 183 N 4.75 2.39 -4.02 4.92 0.63 -1.26 -0.77 116.66 123.31 2wnl n ARG 183 Ca -0.16 0.85 -0.12 0.00 -0.92 0.00 0.00 57.85 57.51 2wnl n ARG 183 Cb 0.49 -2.60 -0.12 0.00 0.45 0.00 0.00 32.46 30.67 2wnl n ARG 183 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2wnl s GLN 184 N -0.01 0.34 -0.06 -0.14 -0.21 -0.08 -4.93 119.66 114.58 2wnl s GLN 184 Ca 0.69 -0.49 0.02 0.00 0.02 0.00 0.00 55.36 55.61 2wnl s GLN 184 Cb -0.58 -0.12 -0.03 0.00 1.00 0.00 0.00 33.01 33.28 2wnl s GLN 184 CO 0.45 0.02 -0.11 0.08 -2.12 0.00 0.00 175.29 173.61 2wnl s VAL 185 N -0.97 3.37 -0.10 1.09 1.01 -1.26 -1.66 120.40 121.87 2wnl s VAL 185 Ca -0.09 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2wnl s VAL 185 Cb -0.07 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.97 2wnl s VAL 185 CO -0.00 0.60 -0.21 -1.10 0.00 0.00 0.00 175.10 174.38 2wnl s GLN 186 N -0.77 2.79 -0.19 2.72 -1.52 0.12 -4.95 119.66 117.86 2wnl s GLN 186 Ca 0.12 -0.78 -0.02 0.00 -1.95 0.00 0.00 55.36 52.72 2wnl s GLN 186 Cb -0.11 -2.17 -0.01 0.00 -0.22 0.00 0.00 33.01 30.50 2wnl s GLN 186 CO 0.01 0.10 -0.09 -1.01 -0.25 0.00 0.00 175.29 174.05 2wnl s HIS 187 N 0.54 2.90 -0.10 0.91 3.76 -1.26 -2.04 115.29 120.00 2wnl s HIS 187 Ca -0.15 -0.93 0.03 0.00 -0.15 0.00 0.00 55.06 53.86 2wnl s HIS 187 Cb -0.17 -2.00 -0.01 0.00 1.11 0.00 0.00 32.58 31.50 2wnl s HIS 187 CO 0.05 -0.47 -0.19 0.71 -0.85 0.00 0.00 174.74 173.99 2wnl s TYR 188 N 1.11 2.64 0.37 1.40 2.02 -1.26 -5.03 117.35 118.60 2wnl s TYR 188 Ca 0.01 -0.72 0.21 0.00 -0.37 0.00 0.00 57.07 56.20 2wnl s TYR 188 Cb -0.15 -1.73 1.32 0.00 -0.40 0.00 0.00 41.96 41.01 2wnl s TYR 188 CO -0.02 -0.22 1.59 0.77 -1.57 0.00 0.00 175.55 176.10 2wnl h SER 189 N 6.40 0.34 0.60 2.29 0.02 -1.99 -0.83 113.55 120.38 2wnl h SER 189 Ca -0.28 0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2wnl h SER 189 Cb 1.21 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.98 2wnl h SER 189 CO 0.51 -0.38 -0.17 0.00 -1.14 0.00 0.00 176.83 175.64 2wnl h PRO 192 N 8.07 0.39 -6.87 0.00 0.11 -1.90 -3.40 132.00 128.42 2wnl h PRO 192 Ca -0.22 -0.10 -0.51 0.00 0.11 0.00 0.00 66.00 65.27 2wnl h PRO 192 Cb 1.12 -0.05 0.05 0.00 0.11 0.00 0.00 31.00 32.23 2wnl h PRO 192 CO 0.24 0.51 0.57 -1.83 -0.21 0.00 0.00 178.00 177.28 2wnl s GLU 193 N -4.75 4.39 0.86 1.05 1.03 -1.26 -5.04 118.70 114.98 2wnl s GLU 193 Ca -0.06 2.03 -0.13 0.00 0.03 0.00 0.00 54.97 56.83 2wnl s GLU 193 Cb 0.15 -3.04 0.12 0.00 -0.80 0.00 0.00 34.13 30.56 2wnl s GLU 193 CO 0.76 -0.09 1.22 -1.25 -1.33 0.00 0.00 175.26 174.57 2wnl s PRO 194 N -1.77 1.52 -0.03 -4.83 0.04 -1.26 -4.74 135.00 123.93 2wnl s PRO 194 Ca 0.49 -0.03 -0.00 0.00 0.04 0.00 0.00 61.00 61.50 2wnl s PRO 194 Cb -0.36 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.30 2wnl s PRO 194 CO 0.47 -1.88 0.01 0.71 0.04 0.00 0.00 177.00 176.35 2wnl s TYR 195 N -3.65 0.29 -0.11 0.56 2.02 -0.87 -1.24 117.35 114.36 2wnl s TYR 195 Ca 0.66 0.03 -0.03 0.00 -0.37 0.00 0.00 57.07 57.35 2wnl s TYR 195 Cb -0.09 -0.44 -0.03 0.00 -0.40 0.00 0.00 41.96 40.99 2wnl s TYR 195 CO 0.50 -0.15 0.00 0.42 -1.57 0.00 0.00 175.55 174.75 2wnl s ILE 196 N 1.26 4.31 0.17 2.71 -1.09 -1.26 0.13 121.20 127.43 2wnl s ILE 196 Ca -0.06 -0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 2wnl s ILE 196 Cb -0.13 -2.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 2wnl s ILE 196 CO -0.02 0.57 0.05 1.51 -1.23 0.00 0.00 174.94 175.81 2wnl s ASP 197 N -0.54 0.75 -0.14 3.58 1.47 -0.67 -4.60 116.67 116.53 2wnl s ASP 197 Ca 0.09 -1.23 -0.01 0.00 1.18 0.00 0.00 52.55 52.58 2wnl s ASP 197 Cb -0.12 0.22 -0.02 0.00 -0.34 0.00 0.00 42.92 42.66 2wnl s ASP 197 CO 0.02 -0.68 -0.10 -0.69 0.68 0.00 0.00 175.17 174.40 2wnl s VAL 198 N -3.87 3.26 -0.38 2.11 1.01 0.60 -0.90 120.40 122.23 2wnl s VAL 198 Ca 0.27 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 2wnl s VAL 198 Cb 0.07 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 34.09 2wnl s VAL 198 CO 0.05 0.51 0.20 0.21 0.00 0.00 0.00 175.10 176.07 2wnl s ASN 199 N 0.45 5.69 -0.34 3.32 3.04 0.05 -0.41 114.94 126.74 2wnl s ASN 199 Ca -0.08 -1.07 -0.22 0.00 0.04 0.00 0.00 52.86 51.53 2wnl s ASN 199 Cb -0.15 -2.00 0.00 0.00 -1.54 0.00 0.00 41.25 37.55 2wnl s ASN 199 CO 0.04 -0.40 0.70 -0.22 -3.04 0.00 0.00 177.10 174.18 2wnl s LEU 200 N 1.52 4.18 -0.15 3.21 2.96 -0.39 -1.70 118.68 128.31 2wnl s LEU 200 Ca 0.02 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 2wnl s LEU 200 Cb -0.20 -2.90 0.00 0.00 0.50 0.00 0.00 46.19 43.60 2wnl s LEU 200 CO 0.06 -0.62 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.61 2wnl s VAL 201 N 2.84 2.54 -0.06 1.68 1.01 -0.49 -1.39 120.40 126.53 2wnl s VAL 201 Ca 0.27 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.49 2wnl s VAL 201 Cb -0.14 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 2wnl s VAL 201 CO 0.15 0.52 -0.19 -0.69 0.00 0.00 0.00 175.10 174.88 2wnl s VAL 202 N 0.83 1.64 -0.11 2.92 1.01 -0.43 -0.89 120.40 125.37 2wnl s VAL 202 Ca -0.05 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.12 2wnl s VAL 202 Cb -0.15 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 2wnl s VAL 202 CO -0.01 0.47 -0.15 -0.54 0.00 0.00 0.00 175.10 174.87 2wnl s LYS 203 N 0.12 3.16 0.25 2.72 1.02 0.10 -1.47 119.74 125.64 2wnl s LYS 203 Ca -0.08 -0.71 -0.20 0.00 0.02 0.00 0.00 55.97 55.00 2wnl s LYS 203 Cb -0.14 -2.54 0.02 0.00 -0.52 0.00 0.00 37.83 34.66 2wnl s LYS 203 CO 0.04 0.29 0.65 -0.59 -0.92 0.00 0.00 175.35 174.83 2wnl s PHE 204 N 0.13 -0.16 0.17 3.18 -0.12 -0.84 0.78 117.98 121.12 2wnl s PHE 204 Ca -0.07 -0.25 -0.22 0.00 -0.05 0.00 0.00 56.93 56.34 2wnl s PHE 204 Cb -0.15 0.59 0.06 0.00 -0.63 0.00 0.00 43.02 42.90 2wnl s PHE 204 CO 0.05 -1.13 0.59 -0.98 -0.05 0.00 0.00 175.22 173.70 2wnl s ARG 205 N -3.91 1.30 0.21 1.99 1.70 -0.94 0.51 118.95 119.81 2wnl s ARG 205 Ca 0.11 -0.53 -0.32 0.00 -0.47 0.00 0.00 55.73 54.52 2wnl s ARG 205 Cb -0.04 0.58 -0.14 0.00 -0.57 0.00 0.00 34.95 34.78 2wnl s ARG 205 CO 0.04 -0.57 1.34 0.39 -1.08 0.00 0.00 175.30 175.42 2wnl n GLU 206 N -0.37 1.76 -2.55 3.89 1.02 0.18 -1.54 120.64 123.04 2wnl n GLU 206 Ca -0.16 0.63 -0.38 0.00 -0.02 0.00 0.00 57.16 57.23 2wnl n GLU 206 Cb 0.64 -2.24 -0.04 0.00 -0.02 0.00 0.00 31.44 29.78 2wnl n GLU 206 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2wnl s ARG 207 N -0.35 4.38 0.00 3.49 3.52 0.42 -4.73 118.95 125.69 2wnl s ARG 207 Ca 0.70 1.59 0.14 0.00 -0.13 0.00 0.00 55.73 58.04 2wnl s ARG 207 Cb -0.71 -2.81 0.11 0.00 -1.56 0.00 0.00 34.95 29.98 2wnl s ARG 207 CO 0.50 0.04 0.95 0.54 -0.81 0.00 0.00 175.30 176.51