#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wnl h LEU 2 N 0.00 0.00 -0.54 3.17 3.38 -2.05 -3.48 115.31 115.80 1wnl h LEU 2 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 1wnl h LEU 2 Cb 0.00 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.85 1wnl h LEU 2 CO 0.00 0.18 -0.68 0.61 0.09 0.00 0.00 178.44 178.64 1wnl n GLY 3 N 1.16 -0.54 3.76 0.83 0.00 -1.26 -4.95 105.19 104.19 1wnl n GLY 3 Ca 0.03 0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1wnl n GLY 3 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wnl s LEU 4 N -7.20 4.49 -0.03 0.99 1.43 -1.26 -4.94 118.68 112.16 1wnl s LEU 4 Ca 0.55 2.48 0.12 0.00 -1.03 0.00 0.00 54.13 56.25 1wnl s LEU 4 Cb -0.25 -3.64 0.34 0.00 0.03 0.00 0.00 46.19 42.67 1wnl s LEU 4 CO 0.68 -0.35 1.28 0.29 0.23 0.00 0.00 176.35 178.49 1wnl n LYS 5 N 1.04 2.89 -1.39 1.70 4.76 -1.26 -5.03 118.16 120.87 1wnl n LYS 5 Ca -0.00 -2.17 -0.32 0.00 -2.87 0.00 0.00 58.31 52.94 1wnl n LYS 5 Cb 0.43 -1.36 0.08 0.00 -1.84 0.00 0.00 35.03 32.34 1wnl n LYS 5 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1wnl s THR 6 N -1.28 3.22 -0.12 -0.18 -4.23 -1.26 -5.01 115.64 106.78 1wnl s THR 6 Ca 0.26 0.45 -0.22 0.00 -1.18 0.00 0.00 61.69 61.01 1wnl s THR 6 Cb 0.15 -2.93 -0.26 0.00 1.34 0.00 0.00 72.50 70.80 1wnl s THR 6 CO 0.15 -0.46 0.61 0.28 -0.54 0.00 0.00 174.62 174.66 1wnl h SER 7 N -0.78 0.22 0.00 3.99 0.02 -1.96 -3.45 113.55 111.59 1wnl h SER 7 Ca -0.45 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 59.66 1wnl h SER 7 Cb 1.24 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1wnl h SER 7 CO 0.52 1.39 -0.06 -0.38 -1.14 0.00 0.00 176.83 177.16 1wnl n ILE 8 N -4.24 1.15 -2.25 3.27 5.41 -1.26 -4.85 119.36 116.59 1wnl n ILE 8 Ca -0.20 0.38 -0.43 0.00 1.00 0.00 0.00 62.75 63.50 1wnl n ILE 8 Cb 0.73 -1.57 -0.02 0.00 -0.71 0.00 0.00 39.64 38.07 1wnl n ILE 8 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1wnl s ILE 9 N -2.00 3.87 0.00 1.39 1.01 -1.26 -2.56 121.20 121.65 1wnl s ILE 9 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 60.65 61.62 1wnl s ILE 9 Cb 0.00 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1wnl s ILE 9 CO 0.00 -0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.12 1wnl n GLY 10 N 4.63 0.94 0.25 6.18 0.00 0.14 -4.72 105.19 112.61 1wnl n GLY 10 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 1wnl n GLY 10 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wnl h ARG 11 N 2.78 0.00 -3.48 1.61 3.08 -1.62 -3.41 114.38 113.33 1wnl h ARG 11 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1wnl h ARG 11 Cb 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 29.79 1wnl h ARG 11 CO 0.00 0.06 -0.58 1.03 -1.07 0.00 0.00 179.97 179.41 1wnl s ARG 12 N -4.92 0.18 -0.05 0.04 0.52 -1.26 -5.06 118.95 108.39 1wnl s ARG 12 Ca -0.05 0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.24 1wnl s ARG 12 Cb 0.17 0.08 0.02 0.00 0.52 0.00 0.00 34.95 35.74 1wnl s ARG 12 CO 0.67 -0.03 -0.03 0.08 0.02 0.00 0.00 175.30 176.01 1wnl s VAL 13 N -0.16 0.50 -0.29 3.52 1.01 -1.26 -1.09 120.40 122.64 1wnl s VAL 13 Ca -0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 1wnl s VAL 13 Cb -0.02 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.82 1wnl s VAL 13 CO 0.00 0.24 0.03 -0.63 0.00 0.00 0.00 175.10 174.74 1wnl s ILE 14 N 1.22 3.54 -0.14 2.22 1.01 0.73 -4.96 121.20 124.82 1wnl s ILE 14 Ca -0.06 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.62 1wnl s ILE 14 Cb -0.14 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 1wnl s ILE 14 CO -0.02 0.08 0.13 -0.47 0.00 0.00 0.00 174.94 174.66 1wnl s TYR 15 N 1.42 3.55 -0.05 3.97 6.14 -1.26 -1.07 117.35 130.05 1wnl s TYR 15 Ca 0.01 0.47 0.05 0.00 0.64 0.00 0.00 57.07 58.24 1wnl s TYR 15 Cb -0.17 -1.99 -0.00 0.00 0.42 0.00 0.00 41.96 40.22 1wnl s TYR 15 CO 0.00 0.63 -0.20 -0.06 0.64 0.00 0.00 175.55 176.56 1wnl s PHE 16 N -0.71 1.98 0.18 4.97 0.40 0.61 -4.97 117.98 120.44 1wnl s PHE 16 Ca 0.13 -0.60 -0.12 0.00 -0.60 0.00 0.00 56.93 55.75 1wnl s PHE 16 Cb -0.12 -1.33 0.09 0.00 0.51 0.00 0.00 43.02 42.18 1wnl s PHE 16 CO 0.03 -0.20 1.79 1.96 0.70 0.00 0.00 175.22 179.49 1wnl h GLN 17 N 6.24 0.88 -3.19 0.44 4.20 -1.94 -0.67 115.11 121.07 1wnl h GLN 17 Ca -0.32 -0.11 -0.17 0.00 0.06 0.00 0.00 58.65 58.12 1wnl h GLN 17 Cb 1.18 -0.17 -0.25 0.00 0.30 0.00 0.00 27.48 28.54 1wnl h GLN 17 CO 0.47 0.68 -0.44 -2.00 -0.67 0.00 0.00 178.83 176.87 1wnl s GLU 18 N -5.81 0.30 0.08 1.46 2.12 -1.26 -3.44 118.70 112.15 1wnl s GLU 18 Ca -0.13 0.25 -0.09 0.00 0.36 0.00 0.00 54.97 55.37 1wnl s GLU 18 Cb 0.13 0.14 -0.00 0.00 0.26 0.00 0.00 34.13 34.66 1wnl s GLU 18 CO 0.78 -0.04 0.19 -1.50 -0.54 0.00 0.00 175.26 174.14 1wnl s ILE 19 N -0.03 0.14 -0.04 -3.70 2.07 -0.77 -5.00 121.20 113.86 1wnl s ILE 19 Ca -0.01 -1.12 -0.22 0.00 -1.41 0.00 0.00 60.65 57.88 1wnl s ILE 19 Cb -0.02 -1.23 -0.17 0.00 0.13 0.00 0.00 42.46 41.17 1wnl s ILE 19 CO 0.01 -0.62 0.96 0.71 -1.91 0.00 0.00 174.94 174.09 1wnl h THR 20 N 2.94 0.94 -2.30 4.00 1.35 -1.94 0.13 112.91 118.03 1wnl h THR 20 Ca -0.34 -1.12 -0.04 0.00 -0.55 0.00 0.00 66.41 64.36 1wnl h THR 20 Cb 1.20 1.54 -0.24 0.00 -1.73 0.00 0.00 68.15 68.92 1wnl h THR 20 CO 0.54 0.23 -0.13 -0.55 -0.25 0.00 0.00 175.52 175.37 1wnl s SER 21 N -5.49 -0.74 0.26 5.36 0.15 -1.26 0.20 113.70 112.18 1wnl s SER 21 Ca -0.13 1.22 0.01 0.00 0.70 0.00 0.00 55.95 57.75 1wnl s SER 21 Cb 0.01 1.10 0.35 0.00 -1.71 0.00 0.00 66.02 65.76 1wnl s SER 21 CO 0.52 -0.22 1.68 0.71 1.20 0.00 0.00 173.24 177.13 1wnl h THR 22 N 5.24 1.28 -0.35 6.45 1.35 -1.93 -2.48 112.91 122.47 1wnl h THR 22 Ca -0.33 -1.37 -0.06 0.00 -0.55 0.00 0.00 66.41 64.11 1wnl h THR 22 Cb 1.21 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 1wnl h THR 22 CO 0.22 0.43 0.00 0.78 -0.25 0.00 0.00 175.52 176.71 1wnl h ASN 23 N 0.44 0.60 -0.75 5.36 4.21 -1.94 -1.62 115.58 121.89 1wnl h ASN 23 Ca 0.06 -0.31 -0.01 0.00 1.21 0.00 0.00 56.30 57.25 1wnl h ASN 23 Cb 0.74 -0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 37.74 1wnl h ASN 23 CO 0.06 0.76 0.43 -0.33 -1.29 0.00 0.00 177.43 177.06 1wnl h GLU 24 N 0.43 1.03 -0.49 0.81 4.39 -1.95 -0.11 114.58 118.69 1wnl h GLU 24 Ca 0.10 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1wnl h GLU 24 Cb 0.45 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1wnl h GLU 24 CO 0.02 0.75 0.16 0.35 -1.16 0.00 0.00 179.01 179.12 1wnl h PHE 25 N 1.03 0.79 -0.03 4.33 3.57 -1.35 -1.27 116.94 124.00 1wnl h PHE 25 Ca 0.27 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1wnl h PHE 25 Cb 0.00 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1wnl h PHE 25 CO -0.00 0.69 -0.24 0.00 -2.23 0.00 0.00 178.31 176.52 1wnl h ALA 26 N 1.01 1.54 0.04 2.41 0.00 -0.91 -2.02 119.26 121.33 1wnl h ALA 26 Ca 0.16 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 1wnl h ALA 26 Cb 0.27 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.03 1wnl h ALA 26 CO -0.01 0.34 -0.92 0.87 0.00 0.00 0.00 179.25 179.53 1wnl h LYS 27 N 0.05 0.56 -0.10 0.00 1.57 -0.66 -3.34 116.57 114.64 1wnl h LYS 27 Ca 0.01 -0.65 0.00 0.00 -1.87 0.00 0.00 60.65 58.13 1wnl h LYS 27 Cb 0.46 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1wnl h LYS 27 CO 0.03 1.26 0.00 0.25 -0.57 0.00 0.00 179.45 180.42 1wnl n THR 28 N -3.99 0.12 -4.93 -0.16 -2.24 -0.51 -4.91 114.28 97.67 1wnl n THR 28 Ca -0.12 -0.33 -0.30 0.00 -2.27 0.00 0.00 64.05 61.03 1wnl n THR 28 Cb 0.83 0.51 -0.15 0.00 -2.10 0.00 0.00 70.33 69.42 1wnl n THR 28 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wnl s SER 29 N -1.77 3.22 -0.26 3.42 0.01 -0.77 -5.06 113.70 112.49 1wnl s SER 29 Ca 0.35 -0.56 -0.29 0.00 1.31 0.00 0.00 55.95 56.76 1wnl s SER 29 Cb 0.19 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1wnl s SER 29 CO 0.30 0.27 1.20 -0.47 0.41 0.00 0.00 173.24 174.94 1wnl s TYR 30 N -0.79 2.94 -0.01 2.43 5.04 -1.26 -4.89 117.35 120.82 1wnl s TYR 30 Ca 0.12 1.07 0.01 0.00 -2.44 0.00 0.00 57.07 55.83 1wnl s TYR 30 Cb -0.10 -3.66 0.00 0.00 0.35 0.00 0.00 41.96 38.55 1wnl s TYR 30 CO 0.02 -1.29 -0.03 -0.51 -1.34 0.00 0.00 175.55 172.40 1wnl s LEU 31 N 3.79 1.93 0.75 6.97 1.43 -1.26 -5.15 118.68 127.15 1wnl s LEU 31 Ca 0.51 -0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 53.43 1wnl s LEU 31 Cb -0.17 -0.18 0.05 0.00 0.03 0.00 0.00 46.19 45.93 1wnl s LEU 31 CO 0.16 0.03 1.12 -1.83 0.23 0.00 0.00 176.35 176.06 1wnl s GLU 32 N 0.02 2.24 0.41 1.70 -1.05 -1.26 -4.92 118.70 115.85 1wnl s GLU 32 Ca 0.00 1.38 -0.26 0.00 -0.15 0.00 0.00 54.97 55.94 1wnl s GLU 32 Cb -0.02 -1.88 -0.10 0.00 -0.44 0.00 0.00 34.13 31.69 1wnl s GLU 32 CO -0.00 -1.68 1.34 -1.91 0.95 0.00 0.00 175.26 173.95 1wnl n GLU 33 N -3.14 2.13 -0.07 -4.83 2.13 -1.26 -2.21 120.64 113.38 1wnl n GLU 33 Ca 0.11 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1wnl n GLU 33 Cb 0.52 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.76 1wnl n GLU 33 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wnl n GLY 34 N 0.71 1.41 3.73 8.31 0.00 0.81 -4.87 105.19 115.29 1wnl n GLY 34 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1wnl n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wnl s THR 35 N -2.58 2.66 -0.16 2.61 2.01 -0.94 -0.69 115.64 118.56 1wnl s THR 35 Ca 0.00 0.51 -0.04 0.00 0.31 0.00 0.00 61.69 62.48 1wnl s THR 35 Cb 0.00 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 1wnl s THR 35 CO 0.00 0.06 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.27 1wnl s VAL 36 N 0.54 3.91 -0.22 3.82 1.01 -0.25 -1.69 120.40 127.52 1wnl s VAL 36 Ca 0.64 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.21 1wnl s VAL 36 Cb -0.43 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1wnl s VAL 36 CO 0.38 0.49 0.04 -0.63 0.00 0.00 0.00 175.10 175.38 1wnl s ILE 37 N 0.35 4.29 0.01 2.22 -1.09 0.45 -0.20 121.20 127.23 1wnl s ILE 37 Ca -0.04 -0.19 0.01 0.00 -2.23 0.00 0.00 60.65 58.20 1wnl s ILE 37 Cb -0.14 -2.97 -0.01 0.00 -1.58 0.00 0.00 42.46 37.76 1wnl s ILE 37 CO 0.03 0.40 -0.04 0.54 -1.23 0.00 0.00 174.94 174.64 1wnl s VAL 38 N 1.12 0.28 0.03 2.92 0.11 -0.23 -0.69 120.40 123.94 1wnl s VAL 38 Ca 0.04 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 1wnl s VAL 38 Cb -0.14 -0.30 -0.02 0.00 -1.53 0.00 0.00 36.38 34.39 1wnl s VAL 38 CO 0.03 -0.11 -0.04 0.00 -3.33 0.00 0.00 175.10 171.65 1wnl s ALA 39 N -0.54 0.23 0.28 1.54 0.00 -0.86 -0.28 121.76 122.13 1wnl s ALA 39 Ca -0.04 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1wnl s ALA 39 Cb -0.04 0.13 0.41 0.00 0.00 0.00 0.00 23.12 23.62 1wnl s ALA 39 CO -0.00 -0.14 1.76 -0.44 0.00 0.00 0.00 175.76 176.94 1wnl h ASP 40 N 4.56 0.59 -4.90 0.00 3.45 -1.17 -3.37 116.42 115.58 1wnl h ASP 40 Ca -0.33 -0.16 -0.10 0.00 0.43 0.00 0.00 57.03 56.86 1wnl h ASP 40 Cb 1.21 -0.16 -0.20 0.00 -0.56 0.00 0.00 39.33 39.62 1wnl h ASP 40 CO 0.42 0.74 -0.17 -1.59 -1.57 0.00 0.00 179.24 177.07 1wnl s LYS 41 N -4.75 0.74 -0.06 3.56 -2.85 -1.22 -3.90 119.74 111.25 1wnl s LYS 41 Ca -0.08 -0.02 0.04 0.00 -1.00 0.00 0.00 55.97 54.90 1wnl s LYS 41 Cb 0.14 0.34 -0.02 0.00 -2.06 0.00 0.00 37.83 36.23 1wnl s LYS 41 CO 0.79 -0.20 -0.17 -0.65 0.10 0.00 0.00 175.35 175.22 1wnl s GLN 42 N -1.16 2.66 0.01 1.78 -0.21 -0.88 -1.85 119.66 120.01 1wnl s GLN 42 Ca -0.12 -0.75 0.22 0.00 0.02 0.00 0.00 55.36 54.74 1wnl s GLN 42 Cb -0.04 -2.37 -0.21 0.00 1.00 0.00 0.00 33.01 31.39 1wnl s GLN 42 CO 0.05 0.50 0.72 0.25 -2.12 0.00 0.00 175.29 174.69 1wnl n THR 43 N 2.66 0.09 -2.63 -0.19 -2.24 0.46 -4.37 114.28 108.07 1wnl n THR 43 Ca -0.17 -0.36 -0.07 0.00 -2.27 0.00 0.00 64.05 61.18 1wnl n THR 43 Cb 0.52 0.21 0.04 0.00 -2.10 0.00 0.00 70.33 69.00 1wnl n THR 43 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1wnl n MET 44 N -2.09 2.15 -2.24 -0.78 2.81 0.13 -5.02 117.12 112.09 1wnl n MET 44 Ca -0.01 -3.67 -0.32 0.00 -1.81 0.00 0.00 57.70 51.90 1wnl n MET 44 Cb 0.49 -1.75 -0.02 0.00 -0.71 0.00 0.00 33.22 31.24 1wnl n MET 44 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1wnl s GLY 45 N -3.69 1.91 0.17 3.03 0.00 -1.18 -4.63 107.32 102.94 1wnl s GLY 45 Ca 0.33 0.06 -0.14 0.00 0.00 0.00 0.00 44.72 44.97 1wnl s GLY 45 CO -0.02 0.33 0.42 -2.38 0.00 0.00 0.00 173.10 171.45 1wnl s HIS 46 N -2.81 0.05 0.41 1.90 -3.43 -1.26 -0.77 115.29 109.38 1wnl s HIS 46 Ca 0.57 -0.40 0.03 0.00 -0.80 0.00 0.00 55.06 54.46 1wnl s HIS 46 Cb -0.10 0.22 0.08 0.00 -1.43 0.00 0.00 32.58 31.34 1wnl s HIS 46 CO 0.39 -0.82 0.57 0.41 -2.00 0.00 0.00 174.74 173.30 1wnl n GLY 47 N -0.28 1.34 0.39 -1.38 0.00 0.41 -4.71 105.19 100.95 1wnl n GLY 47 Ca -0.10 -2.10 0.21 0.00 0.00 0.00 0.00 46.02 44.03 1wnl n GLY 47 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1wnl h ARG 48 N 0.00 0.45 -0.80 1.61 2.43 -1.89 -0.35 114.38 115.83 1wnl h ARG 48 Ca -0.19 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 58.75 1wnl h ARG 48 Cb 0.78 -0.10 -0.12 0.00 -0.42 0.00 0.00 29.97 30.11 1wnl h ARG 48 CO 0.24 0.30 0.26 1.28 -1.51 0.00 0.00 179.97 180.54 1wnl n LEU 49 N -4.72 5.69 -0.25 3.80 4.77 -1.26 -4.91 117.00 120.12 1wnl n LEU 49 Ca 0.26 -2.96 -0.03 0.00 -0.03 0.00 0.00 56.01 53.25 1wnl n LEU 49 Cb 0.83 -0.73 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1wnl n LEU 49 CO 0.22 0.76 -0.03 0.59 -1.33 0.00 0.00 177.39 177.60 1wnl n ASN 50 N -0.13 -4.67 -4.82 -1.43 3.02 -0.14 -5.00 115.26 102.09 1wnl n ASN 50 Ca 0.37 0.08 -0.38 0.00 -0.03 0.00 0.00 54.58 54.62 1wnl n ASN 50 Cb 1.29 -2.46 -0.06 0.00 -0.61 0.00 0.00 39.78 37.95 1wnl n ASN 50 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1wnl s ARG 51 N -1.66 4.09 0.19 3.52 0.52 -1.26 -4.77 118.95 119.58 1wnl s ARG 51 Ca 0.00 0.62 -0.32 0.00 -0.52 0.00 0.00 55.73 55.51 1wnl s ARG 51 Cb 0.00 -3.21 -0.16 0.00 0.52 0.00 0.00 34.95 32.11 1wnl s ARG 51 CO 0.00 0.64 1.05 1.17 0.02 0.00 0.00 175.30 178.19 1wnl n LYS 52 N 1.67 0.99 -4.01 3.54 4.81 -1.26 -0.45 118.16 123.45 1wnl n LYS 52 Ca -0.11 0.35 -0.34 0.00 -0.87 0.00 0.00 58.31 57.34 1wnl n LYS 52 Cb 0.51 -1.77 -0.15 0.00 0.02 0.00 0.00 35.03 33.65 1wnl n LYS 52 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1wnl s TRP 53 N -0.43 2.90 -0.08 5.64 -0.11 0.05 -4.67 118.94 122.23 1wnl s TRP 53 Ca 0.70 -1.11 -0.30 0.00 1.22 0.00 0.00 56.10 56.62 1wnl s TRP 53 Cb -0.86 -2.04 -0.04 0.00 -1.50 0.00 0.00 33.47 29.03 1wnl s TRP 53 CO 0.54 -0.60 1.49 -1.21 -4.62 0.00 0.00 176.95 172.56 1wnl s GLU 54 N 1.36 4.21 -0.50 5.86 0.41 -1.26 -4.28 118.70 124.50 1wnl s GLU 54 Ca 0.05 1.99 0.08 0.00 -0.41 0.00 0.00 54.97 56.68 1wnl s GLU 54 Cb -0.14 -3.85 0.34 0.00 -1.78 0.00 0.00 34.13 28.70 1wnl s GLU 54 CO -0.05 -0.76 0.86 0.43 -0.49 0.00 0.00 175.26 175.24 1wnl n SER 55 N 6.68 3.08 -4.84 -0.19 7.64 -1.26 -5.05 113.62 119.68 1wnl n SER 55 Ca 0.16 -3.42 -0.29 0.00 1.01 0.00 0.00 58.87 56.32 1wnl n SER 55 Cb 0.43 -0.59 0.11 0.00 -1.01 0.00 0.00 64.21 63.15 1wnl n SER 55 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1wnl s PRO 56 N -3.04 1.70 0.33 1.43 0.04 -1.26 -2.07 135.00 132.13 1wnl s PRO 56 Ca 0.45 0.29 -0.28 0.00 0.04 0.00 0.00 61.00 61.50 1wnl s PRO 56 Cb 0.30 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.81 1wnl s PRO 56 CO -0.11 -1.81 1.28 -1.91 0.04 0.00 0.00 177.00 174.49 1wnl n GLU 57 N -3.50 2.08 0.00 4.56 2.13 -1.25 -3.10 120.64 121.56 1wnl n GLU 57 Ca 0.07 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1wnl n GLU 57 Cb 0.59 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 30.00 1wnl n GLU 57 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wnl n GLY 58 N 0.91 2.57 4.02 8.31 0.00 -1.26 -4.16 105.19 115.58 1wnl n GLY 58 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 1wnl n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wnl s GLY 59 N -2.37 1.83 -0.40 -0.02 0.00 -1.18 -0.75 107.32 104.43 1wnl s GLY 59 Ca 0.00 -1.89 -0.08 0.00 0.00 0.00 0.00 44.72 42.75 1wnl s GLY 59 CO 0.00 -1.56 0.23 -2.27 0.00 0.00 0.00 173.10 169.50 1wnl s LEU 60 N -4.54 5.02 -0.33 0.66 2.96 -0.18 -4.90 118.68 117.37 1wnl s LEU 60 Ca 0.59 -1.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.00 1wnl s LEU 60 Cb -0.08 -1.95 0.07 0.00 0.50 0.00 0.00 46.19 44.73 1wnl s LEU 60 CO 0.36 -0.50 0.05 0.26 -1.32 0.00 0.00 176.35 175.20 1wnl s TRP 61 N 1.40 3.40 0.16 5.38 0.52 -1.26 -1.09 118.94 127.44 1wnl s TRP 61 Ca 0.03 -2.14 -0.04 0.00 0.02 0.00 0.00 56.10 53.96 1wnl s TRP 61 Cb -0.22 -2.47 -0.03 0.00 -1.15 0.00 0.00 33.47 29.60 1wnl s TRP 61 CO 0.02 -0.86 0.17 -0.48 0.02 0.00 0.00 176.95 175.81 1wnl s LEU 62 N 1.18 1.33 0.01 2.99 0.05 -0.77 -2.02 118.68 121.45 1wnl s LEU 62 Ca -0.00 -1.10 0.00 0.00 0.05 0.00 0.00 54.13 53.08 1wnl s LEU 62 Cb -0.20 0.70 -0.01 0.00 -2.05 0.00 0.00 46.19 44.63 1wnl s LEU 62 CO -0.03 -0.82 -0.03 -0.44 -0.55 0.00 0.00 176.35 174.48 1wnl s SER 63 N -3.03 0.26 -0.06 1.48 0.01 0.13 -0.63 113.70 111.86 1wnl s SER 63 Ca 0.23 -0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.26 1wnl s SER 63 Cb 0.05 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1wnl s SER 63 CO 0.03 -0.13 -0.18 -0.63 0.41 0.00 0.00 173.24 172.74 1wnl s ILE 64 N -0.75 1.51 -0.20 1.44 1.01 0.53 -0.41 121.20 124.34 1wnl s ILE 64 Ca -0.07 -0.73 -0.21 0.00 0.00 0.00 0.00 60.65 59.63 1wnl s ILE 64 Cb -0.05 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1wnl s ILE 64 CO -0.00 0.44 0.65 -0.69 0.00 0.00 0.00 174.94 175.33 1wnl s VAL 65 N 0.26 5.01 0.06 2.92 1.01 -0.68 -0.62 120.40 128.35 1wnl s VAL 65 Ca -0.10 1.22 0.04 0.00 0.00 0.00 0.00 61.98 63.14 1wnl s VAL 65 Cb -0.14 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1wnl s VAL 65 CO 0.04 0.10 -0.12 -0.76 0.00 0.00 0.00 175.10 174.36 1wnl s LEU 66 N 1.96 2.25 -0.39 3.92 1.43 0.83 -0.13 118.68 128.55 1wnl s LEU 66 Ca 0.29 -0.56 0.09 0.00 -1.03 0.00 0.00 54.13 52.92 1wnl s LEU 66 Cb -0.16 -0.44 0.28 0.00 0.03 0.00 0.00 46.19 45.91 1wnl s LEU 66 CO 0.10 -0.09 0.60 -1.20 0.23 0.00 0.00 176.35 176.00 1wnl n SER 67 N 1.46 0.30 -4.66 2.29 7.64 -1.26 0.97 113.62 120.36 1wnl n SER 67 Ca -0.21 -2.81 -0.48 0.00 1.01 0.00 0.00 58.87 56.38 1wnl n SER 67 Cb 0.54 -0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 1wnl n SER 67 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1wnl n PRO 68 N 1.04 2.18 -2.22 1.43 -0.02 -1.26 -4.89 135.00 131.27 1wnl n PRO 68 Ca 0.22 0.79 -0.41 0.00 -2.02 0.00 0.00 63.50 62.07 1wnl n PRO 68 Cb 0.58 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1wnl n PRO 68 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1wnl n LYS 69 N 6.97 4.22 -4.39 -0.52 4.76 -1.26 -4.91 118.16 123.03 1wnl n LYS 69 Ca 0.24 -3.60 -0.20 0.00 -2.87 0.00 0.00 58.31 51.88 1wnl n LYS 69 Cb 0.31 -2.74 -0.10 0.00 -1.84 0.00 0.00 35.03 30.66 1wnl n LYS 69 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1wnl s VAL 70 N -0.73 1.75 0.38 -0.18 -7.23 -1.26 -5.06 120.40 108.07 1wnl s VAL 70 Ca 0.46 -2.19 -0.25 0.00 -1.81 0.00 0.00 61.98 58.19 1wnl s VAL 70 Cb 0.14 -2.24 -0.12 0.00 0.56 0.00 0.00 36.38 34.72 1wnl s VAL 70 CO -0.04 -0.45 0.91 -2.65 -0.31 0.00 0.00 175.10 172.56 1wnl n PRO 71 N -0.49 1.18 -0.33 4.82 -0.02 -1.26 -4.79 135.00 134.11 1wnl n PRO 71 Ca -0.07 0.42 0.24 0.00 -2.02 0.00 0.00 63.50 62.07 1wnl n PRO 71 Cb 0.62 -1.86 0.51 0.00 -0.02 0.00 0.00 33.50 32.75 1wnl n PRO 71 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1wnl h GLN 72 N 1.53 0.37 -0.53 -0.52 5.75 -1.99 -0.39 115.11 119.31 1wnl h GLN 72 Ca -0.42 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.10 1wnl h GLN 72 Cb 1.35 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.79 1wnl h GLN 72 CO 0.57 0.24 0.35 1.57 -2.65 0.00 0.00 178.83 178.92 1wnl h LYS 73 N 0.38 0.57 0.00 1.69 2.10 -2.05 -2.94 116.57 116.32 1wnl h LYS 73 Ca 0.62 -0.03 -0.16 0.00 -2.00 0.00 0.00 60.65 59.07 1wnl h LYS 73 Cb 1.58 -0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 32.76 1wnl h LYS 73 CO -0.32 0.38 -0.87 -0.44 -2.00 0.00 0.00 179.45 176.19 1wnl h ASP 74 N 0.59 0.00 -1.20 7.07 3.45 -1.40 -3.38 116.42 121.55 1wnl h ASP 74 Ca 0.22 0.00 0.39 0.00 0.43 0.00 0.00 57.03 58.06 1wnl h ASP 74 Cb 0.14 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 38.78 1wnl h ASP 74 CO -0.06 0.72 0.76 0.25 -1.57 0.00 0.00 179.24 179.34 1wnl h LEU 75 N 0.00 0.32 -1.14 1.55 5.85 -1.47 -0.85 115.31 119.57 1wnl h LEU 75 Ca -0.04 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1wnl h LEU 75 Cb 1.59 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.74 1wnl h LEU 75 CO 0.09 -0.14 0.00 -2.65 -0.34 0.00 0.00 178.44 175.39 1wnl n PRO 76 N -4.77 0.17 -0.03 5.25 -0.02 -1.26 -3.22 135.00 131.12 1wnl n PRO 76 Ca 0.34 0.55 0.09 0.00 -2.02 0.00 0.00 63.50 62.46 1wnl n PRO 76 Cb 1.26 -1.94 0.43 0.00 -0.02 0.00 0.00 33.50 33.23 1wnl n PRO 76 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1wnl n LYS 77 N -2.29 1.28 -0.24 -0.52 5.02 -0.32 -4.16 118.16 116.92 1wnl n LYS 77 Ca 0.00 -0.42 -0.01 0.00 -2.02 0.00 0.00 58.31 55.86 1wnl n LYS 77 Cb 0.13 -1.30 0.20 0.00 -0.02 0.00 0.00 35.03 34.03 1wnl n LYS 77 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1wnl h ILE 78 N 0.83 1.22 -0.93 -0.18 1.08 -1.77 -2.51 117.51 115.25 1wnl h ILE 78 Ca 0.00 -0.48 0.12 0.00 -0.39 0.00 0.00 64.86 64.11 1wnl h ILE 78 Cb 0.18 0.13 -0.07 0.00 -3.07 0.00 0.00 36.82 33.99 1wnl h ILE 78 CO 0.00 0.23 0.59 1.62 -0.69 0.00 0.00 178.15 179.90 1wnl h VAL 79 N 1.07 0.91 0.00 1.67 3.04 -1.88 -0.49 116.25 120.57 1wnl h VAL 79 Ca 0.28 -0.30 -0.06 0.00 -1.01 0.00 0.00 66.70 65.61 1wnl h VAL 79 Cb -0.04 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 29.20 1wnl h VAL 79 CO -0.05 0.16 -0.28 -0.26 -1.01 0.00 0.00 177.57 176.13 1wnl h PHE 80 N 0.86 0.00 -0.62 3.17 0.04 -1.71 -2.33 116.94 116.36 1wnl h PHE 80 Ca 0.45 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.20 1wnl h PHE 80 Cb 0.53 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 1wnl h PHE 80 CO -0.00 0.28 0.29 -0.07 -0.60 0.00 0.00 178.31 178.20 1wnl h LEU 81 N 0.00 0.82 -0.30 1.54 3.38 -1.10 -0.38 115.31 119.27 1wnl h LEU 81 Ca -0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1wnl h LEU 81 Cb 0.50 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1wnl h LEU 81 CO 0.04 0.73 0.10 1.23 0.09 0.00 0.00 178.44 180.62 1wnl h GLY 82 N 0.85 0.50 0.99 0.83 0.00 -1.35 -0.34 103.07 104.56 1wnl h GLY 82 Ca 0.21 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1wnl h GLY 82 CO -0.02 0.28 0.19 0.00 0.00 0.00 0.00 176.54 176.98 1wnl h ALA 83 N 0.93 0.75 -0.49 3.60 0.00 -1.26 -1.74 119.26 121.05 1wnl h ALA 83 Ca 0.10 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1wnl h ALA 83 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1wnl h ALA 83 CO -0.00 0.40 -0.18 0.28 0.00 0.00 0.00 179.25 179.75 1wnl h VAL 84 N 0.80 1.27 -0.79 0.00 2.07 -0.99 -1.64 116.25 116.96 1wnl h VAL 84 Ca 0.19 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1wnl h VAL 84 Cb 0.26 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1wnl h VAL 84 CO -0.01 0.46 0.49 1.23 0.02 0.00 0.00 177.57 179.77 1wnl h GLY 85 N 0.92 1.14 0.96 2.17 0.00 -0.86 -0.68 103.07 106.71 1wnl h GLY 85 Ca 0.12 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 1wnl h GLY 85 CO 0.06 0.44 0.16 -2.08 0.00 0.00 0.00 176.54 175.12 1wnl h VAL 86 N 1.08 1.22 -0.97 4.60 2.07 -1.12 -1.72 116.25 121.41 1wnl h VAL 86 Ca 0.29 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1wnl h VAL 86 Cb -0.07 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1wnl h VAL 86 CO -0.06 0.27 0.64 0.58 0.02 0.00 0.00 177.57 179.02 1wnl h VAL 87 N 0.64 1.24 -0.60 2.57 2.07 -0.71 0.21 116.25 121.67 1wnl h VAL 87 Ca 0.16 -0.45 -0.10 0.00 0.82 0.00 0.00 66.70 67.13 1wnl h VAL 87 Cb 0.25 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 1wnl h VAL 87 CO -0.01 0.24 0.00 -0.33 0.02 0.00 0.00 177.57 177.49 1wnl h GLU 88 N 1.31 1.07 -0.40 1.57 5.08 -0.90 -1.86 114.58 120.44 1wnl h GLU 88 Ca 0.36 -0.34 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1wnl h GLU 88 Cb -0.14 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1wnl h GLU 88 CO -0.08 1.04 -0.09 1.15 -1.00 0.00 0.00 179.01 180.03 1wnl h THR 89 N 0.96 1.27 -0.83 1.13 2.02 -0.86 -2.71 112.91 113.89 1wnl h THR 89 Ca 0.17 -1.17 0.04 0.00 0.77 0.00 0.00 66.41 66.22 1wnl h THR 89 Cb 0.56 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 68.13 1wnl h THR 89 CO 0.03 0.39 0.53 -0.07 0.37 0.00 0.00 175.52 176.77 1wnl h LEU 90 N 0.57 0.87 -1.06 2.58 3.38 -0.79 -1.95 115.31 118.92 1wnl h LEU 90 Ca 0.10 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1wnl h LEU 90 Cb 0.61 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1wnl h LEU 90 CO 0.04 0.59 0.51 0.50 0.09 0.00 0.00 178.44 180.17 1wnl h LYS 91 N 1.02 1.16 -0.11 1.13 3.64 -1.11 0.33 116.57 122.63 1wnl h LYS 91 Ca 0.34 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1wnl h LYS 91 Cb 0.04 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1wnl h LYS 91 CO -0.13 0.81 0.09 0.93 -2.27 0.00 0.00 179.45 178.89 1wnl h GLU 92 N 1.18 0.00 -0.64 1.90 5.08 -1.04 0.84 114.58 121.90 1wnl h GLU 92 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1wnl h GLU 92 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1wnl h GLU 92 CO -0.06 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.14 1wnl n PHE 93 N -4.25 1.50 -2.83 4.33 3.01 -0.46 -4.94 117.46 113.82 1wnl n PHE 93 Ca -0.00 -0.62 -0.14 0.00 1.01 0.00 0.00 57.45 57.70 1wnl n PHE 93 Cb 0.21 -0.25 0.03 0.00 -0.01 0.00 0.00 39.48 39.45 1wnl n PHE 93 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1wnl n SER 94 N 1.09 -4.45 -4.26 4.37 7.64 0.29 -5.03 113.62 113.27 1wnl n SER 94 Ca 0.26 -0.21 -0.32 0.00 1.01 0.00 0.00 58.87 59.61 1wnl n SER 94 Cb 0.90 -3.26 -0.16 0.00 -1.01 0.00 0.00 64.21 60.68 1wnl n SER 94 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wnl s ILE 95 N -2.99 2.17 -0.70 0.44 1.01 -0.02 -4.99 121.20 116.12 1wnl s ILE 95 Ca 0.23 -1.00 -0.17 0.00 0.00 0.00 0.00 60.65 59.71 1wnl s ILE 95 Cb -0.10 -1.82 0.14 0.00 0.01 0.00 0.00 42.46 40.69 1wnl s ILE 95 CO 0.28 0.56 0.77 -0.62 0.00 0.00 0.00 174.94 175.93 1wnl s ASP 96 N 0.13 6.41 0.05 3.58 -1.08 -1.26 -2.67 116.67 121.83 1wnl s ASP 96 Ca -0.12 -1.91 -0.08 0.00 -0.52 0.00 0.00 52.55 49.92 1wnl s ASP 96 Cb -0.16 -2.28 -0.05 0.00 -1.46 0.00 0.00 42.92 38.96 1wnl s ASP 96 CO 0.07 -0.94 0.34 -0.83 0.52 0.00 0.00 175.17 174.33 1wnl s GLY 97 N 3.25 2.29 0.02 2.66 0.00 -1.26 -4.55 107.32 109.72 1wnl s GLY 97 Ca 0.16 -0.48 0.05 0.00 0.00 0.00 0.00 44.72 44.44 1wnl s GLY 97 CO -0.01 -0.29 -0.15 0.50 0.00 0.00 0.00 173.10 173.15 1wnl s ARG 98 N -1.92 1.11 -0.09 2.90 0.52 0.54 -4.93 118.95 117.09 1wnl s ARG 98 Ca 0.31 -0.69 -0.27 0.00 -0.52 0.00 0.00 55.73 54.57 1wnl s ARG 98 Cb -0.13 -1.12 -0.02 0.00 0.52 0.00 0.00 34.95 34.20 1wnl s ARG 98 CO 0.18 0.29 0.88 0.42 0.02 0.00 0.00 175.30 177.09 1wnl s ILE 99 N -0.63 4.89 -0.39 1.52 1.01 0.12 -0.19 121.20 127.53 1wnl s ILE 99 Ca 0.04 1.79 -0.16 0.00 0.00 0.00 0.00 60.65 62.33 1wnl s ILE 99 Cb -0.07 -4.20 0.01 0.00 0.01 0.00 0.00 42.46 38.21 1wnl s ILE 99 CO 0.01 0.10 0.36 -0.75 0.00 0.00 0.00 174.94 174.66 1wnl s LYS 100 N 1.54 3.20 0.18 2.79 2.20 0.62 -1.25 119.74 129.02 1wnl s LYS 100 Ca 0.44 -0.75 -0.32 0.00 -0.36 0.00 0.00 55.97 54.98 1wnl s LYS 100 Cb -0.18 -3.92 -0.16 0.00 -1.51 0.00 0.00 37.83 32.06 1wnl s LYS 100 CO 0.19 -0.71 1.08 1.87 -0.36 0.00 0.00 175.35 177.42 1wnl n TRP 101 N 5.38 1.11 0.35 4.03 -0.00 -1.26 -2.10 117.44 124.95 1wnl n TRP 101 Ca -0.09 0.73 0.07 0.00 -0.00 0.00 0.00 57.50 58.20 1wnl n TRP 101 Cb 0.48 -2.24 -0.10 0.00 -0.00 0.00 0.00 31.31 29.45 1wnl n TRP 101 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 1wnl n PRO 102 N 1.53 1.37 0.00 5.87 -0.04 -1.26 -4.77 135.00 137.70 1wnl n PRO 102 Ca 0.15 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1wnl n PRO 102 Cb 0.25 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1wnl n PRO 102 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1wnl n ASN 103 N -1.67 0.47 -4.93 3.54 6.94 -1.18 -4.63 115.26 113.81 1wnl n ASN 103 Ca 0.00 -0.84 -0.28 0.00 -0.02 0.00 0.00 54.58 53.44 1wnl n ASN 103 Cb 0.30 0.14 -0.03 0.00 -2.36 0.00 0.00 39.78 37.83 1wnl n ASN 103 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1wnl s ASP 104 N -0.14 6.39 -0.14 0.53 1.01 -0.89 -2.46 116.67 120.96 1wnl s ASP 104 Ca 0.00 0.37 0.02 0.00 0.71 0.00 0.00 52.55 53.65 1wnl s ASP 104 Cb 0.00 -2.00 0.01 0.00 1.01 0.00 0.00 42.92 41.95 1wnl s ASP 104 CO 0.00 0.01 -0.19 -0.69 0.21 0.00 0.00 175.17 174.51 1wnl s VAL 105 N -1.77 1.88 0.22 -1.27 1.01 -0.62 -0.28 120.40 119.57 1wnl s VAL 105 Ca 0.38 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.60 1wnl s VAL 105 Cb -0.11 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1wnl s VAL 105 CO 0.28 0.51 -0.09 -0.76 0.00 0.00 0.00 175.10 175.04 1wnl s LEU 106 N 1.05 2.96 -0.18 3.92 1.43 0.74 -0.98 118.68 127.61 1wnl s LEU 106 Ca -0.03 -0.67 -0.01 0.00 -1.03 0.00 0.00 54.13 52.39 1wnl s LEU 106 Cb -0.14 -1.58 0.05 0.00 0.03 0.00 0.00 46.19 44.55 1wnl s LEU 106 CO -0.05 0.07 -0.02 -0.69 0.23 0.00 0.00 176.35 175.89 1wnl s VAL 107 N -1.98 0.93 -1.45 -1.59 1.01 0.11 -0.34 120.40 117.10 1wnl s VAL 107 Ca 0.27 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.48 1wnl s VAL 107 Cb -0.08 -1.24 0.04 0.00 0.00 0.00 0.00 36.38 35.10 1wnl s VAL 107 CO 0.16 -0.03 1.00 0.59 0.00 0.00 0.00 175.10 176.82 1wnl n ASN 108 N 4.92 -5.70 -0.09 3.32 3.02 -1.26 -1.59 115.26 117.87 1wnl n ASN 108 Ca -0.10 -0.58 -0.01 0.00 -0.03 0.00 0.00 54.58 53.86 1wnl n ASN 108 Cb 0.47 -4.53 -0.00 0.00 -0.61 0.00 0.00 39.78 35.11 1wnl n ASN 108 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1wnl n TYR 109 N -4.78 0.00 -4.24 3.10 4.01 -1.26 -5.01 117.16 108.98 1wnl n TYR 109 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 1wnl n TYR 109 Cb 0.56 -1.01 -0.12 0.00 -0.31 0.00 0.00 39.34 38.46 1wnl n TYR 109 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1wnl s LYS 110 N -1.13 3.72 0.01 -0.72 1.02 -0.62 -5.02 119.74 117.00 1wnl s LYS 110 Ca 0.00 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.20 1wnl s LYS 110 Cb 0.00 -3.01 -0.07 0.00 -0.52 0.00 0.00 37.83 34.22 1wnl s LYS 110 CO 0.00 0.19 1.68 0.21 -0.92 0.00 0.00 175.35 176.51 1wnl s LYS 111 N 0.53 4.19 -0.01 1.68 2.20 -1.26 -0.71 119.74 126.36 1wnl s LYS 111 Ca -0.01 2.29 0.09 0.00 -0.36 0.00 0.00 55.97 57.98 1wnl s LYS 111 Cb -0.14 -3.82 -0.13 0.00 -1.51 0.00 0.00 37.83 32.24 1wnl s LYS 111 CO 0.02 -0.80 0.27 1.51 -0.36 0.00 0.00 175.35 175.99 1wnl n ILE 112 N 5.12 0.00 -3.52 5.43 3.06 -0.15 -1.78 119.36 127.51 1wnl n ILE 112 Ca 0.17 -0.24 -0.17 0.00 -2.50 0.00 0.00 62.75 60.00 1wnl n ILE 112 Cb 0.42 0.54 -0.06 0.00 0.54 0.00 0.00 39.64 41.08 1wnl n ILE 112 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1wnl s ALA 113 N -2.36 -1.73 0.05 1.51 0.00 -1.09 -1.08 121.76 117.06 1wnl s ALA 113 Ca -0.01 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.22 1wnl s ALA 113 Cb 0.06 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 1wnl s ALA 113 CO 0.38 -0.39 -0.12 0.20 0.00 0.00 0.00 175.76 175.83 1wnl s GLY 114 N -1.30 0.69 -0.09 0.00 0.00 -0.18 -1.58 107.32 104.86 1wnl s GLY 114 Ca -0.10 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 43.84 1wnl s GLY 114 CO 0.08 -0.84 -0.23 0.14 0.00 0.00 0.00 173.10 172.26 1wnl s VAL 115 N -1.09 1.95 -0.23 1.40 1.01 -1.03 -0.88 120.40 121.53 1wnl s VAL 115 Ca -0.03 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1wnl s VAL 115 Cb -0.09 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.67 1wnl s VAL 115 CO 0.01 0.54 -0.06 -0.22 0.00 0.00 0.00 175.10 175.37 1wnl s LEU 116 N 0.32 2.60 -0.19 3.92 2.96 0.42 -4.51 118.68 124.21 1wnl s LEU 116 Ca -0.17 -1.16 -0.05 0.00 -0.22 0.00 0.00 54.13 52.53 1wnl s LEU 116 Cb -0.17 -1.21 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 1wnl s LEU 116 CO 0.08 -0.22 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.19 1wnl s VAL 117 N 1.37 4.00 0.11 1.68 1.01 -1.26 -0.10 120.40 127.21 1wnl s VAL 117 Ca -0.06 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1wnl s VAL 117 Cb -0.19 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1wnl s VAL 117 CO -0.06 0.44 -0.11 -1.61 0.00 0.00 0.00 175.10 173.76 1wnl s GLU 118 N 0.82 0.92 -0.06 2.72 2.02 -0.52 -4.99 118.70 119.61 1wnl s GLU 118 Ca 0.00 -1.21 0.03 0.00 0.02 0.00 0.00 54.97 53.82 1wnl s GLU 118 Cb -0.14 -0.66 0.01 0.00 0.10 0.00 0.00 34.13 33.44 1wnl s GLU 118 CO 0.02 0.11 -0.14 0.20 0.02 0.00 0.00 175.26 175.47 1wnl s GLY 119 N -2.50 0.83 -0.09 -1.39 0.00 -1.26 0.19 107.32 103.09 1wnl s GLY 119 Ca 0.07 -0.49 -0.01 0.00 0.00 0.00 0.00 44.72 44.30 1wnl s GLY 119 CO 0.01 -0.01 -0.04 1.25 0.00 0.00 0.00 173.10 174.31 1wnl s LYS 120 N 0.49 1.04 5.37 2.90 2.20 -0.88 -5.02 119.74 125.84 1wnl s LYS 120 Ca -0.12 -0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 1wnl s LYS 120 Cb -0.15 -1.22 0.00 0.00 -1.51 0.00 0.00 37.83 34.95 1wnl s LYS 120 CO 0.04 -0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 1wnl n GLY 121 N 4.91 1.80 1.82 5.54 0.00 -1.26 -2.53 105.19 115.46 1wnl n GLY 121 Ca -0.12 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.38 1wnl n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wnl n ASP 122 N 2.97 5.60 -4.50 1.61 2.03 -1.26 -4.94 116.55 118.05 1wnl n ASP 122 Ca 0.00 -2.93 -0.26 0.00 0.52 0.00 0.00 54.79 52.12 1wnl n ASP 122 Cb 0.00 -0.67 -0.10 0.00 -0.72 0.00 0.00 41.12 39.62 1wnl n ASP 122 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1wnl s LYS 123 N -2.75 1.81 -0.05 -0.67 -2.85 -1.05 -4.75 119.74 109.44 1wnl s LYS 123 Ca 0.54 -1.47 0.06 0.00 -1.00 0.00 0.00 55.97 54.10 1wnl s LYS 123 Cb 0.41 -1.97 -0.02 0.00 -2.06 0.00 0.00 37.83 34.19 1wnl s LYS 123 CO 0.16 0.40 -0.22 0.42 0.10 0.00 0.00 175.35 176.20 1wnl s ILE 124 N -1.90 2.33 -0.27 3.79 1.01 0.27 -2.07 121.20 124.37 1wnl s ILE 124 Ca 0.25 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 1wnl s ILE 124 Cb -0.08 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.55 1wnl s ILE 124 CO 0.14 0.58 0.02 -0.69 0.00 0.00 0.00 174.94 174.98 1wnl s VAL 125 N -0.40 3.59 -0.48 2.92 1.01 0.13 -0.12 120.40 127.05 1wnl s VAL 125 Ca 0.04 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 1wnl s VAL 125 Cb -0.12 -2.79 0.06 0.00 0.00 0.00 0.00 36.38 33.53 1wnl s VAL 125 CO 0.02 0.19 0.47 -0.22 0.00 0.00 0.00 175.10 175.56 1wnl s LEU 126 N 1.46 5.32 -0.08 3.92 2.96 0.21 -1.44 118.68 131.03 1wnl s LEU 126 Ca 0.03 -1.11 -0.08 0.00 -0.22 0.00 0.00 54.13 52.74 1wnl s LEU 126 Cb -0.16 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1wnl s LEU 126 CO -0.00 -0.72 0.21 -0.83 -1.32 0.00 0.00 176.35 173.69 1wnl s GLY 127 N 2.53 2.23 -0.03 7.98 0.00 0.86 -0.35 107.32 120.55 1wnl s GLY 127 Ca 0.08 -0.56 0.01 0.00 0.00 0.00 0.00 44.72 44.25 1wnl s GLY 127 CO 0.09 -0.30 -0.01 -0.42 0.00 0.00 0.00 173.10 172.46 1wnl s ILE 128 N -1.08 0.23 -0.22 0.90 1.01 0.19 -0.43 121.20 121.80 1wnl s ILE 128 Ca 0.19 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.87 1wnl s ILE 128 Cb -0.13 -0.29 0.05 0.00 0.01 0.00 0.00 42.46 42.09 1wnl s ILE 128 CO 0.08 0.14 -0.12 -0.83 0.00 0.00 0.00 174.94 174.20 1wnl s GLY 129 N 0.77 1.46 -0.15 6.18 0.00 -0.06 -1.84 107.32 113.67 1wnl s GLY 129 Ca -0.08 -1.45 0.02 0.00 0.00 0.00 0.00 44.72 43.21 1wnl s GLY 129 CO -0.01 0.59 -0.21 -2.27 0.00 0.00 0.00 173.10 171.20 1wnl s LEU 130 N 1.25 2.07 -0.22 0.66 2.96 -0.25 -1.02 118.68 124.14 1wnl s LEU 130 Ca -0.03 -0.60 -0.29 0.00 -0.22 0.00 0.00 54.13 52.98 1wnl s LEU 130 Cb -0.17 -1.42 -0.00 0.00 0.50 0.00 0.00 46.19 45.09 1wnl s LEU 130 CO -0.08 0.05 1.22 0.20 -1.32 0.00 0.00 176.35 176.42 1wnl s ASN 131 N 0.97 6.92 0.00 3.68 0.01 -0.24 -1.01 114.94 125.27 1wnl s ASN 131 Ca -0.03 1.49 0.00 0.00 -0.71 0.00 0.00 52.86 53.61 1wnl s ASN 131 Cb -0.15 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.97 1wnl s ASN 131 CO -0.05 -0.82 0.00 0.52 -1.51 0.00 0.00 177.10 175.24 1wnl n VAL 132 N 5.57 0.00 0.54 1.60 0.31 -1.25 -1.66 118.33 123.43 1wnl n VAL 132 Ca 0.14 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.53 1wnl n VAL 132 Cb 0.46 -0.68 0.05 0.00 -0.91 0.00 0.00 33.84 32.76 1wnl n VAL 132 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1wnl n ASN 133 N -1.16 2.01 -4.87 4.52 3.02 0.07 -0.96 115.26 117.89 1wnl n ASN 133 Ca 0.00 -1.50 -0.31 0.00 -0.03 0.00 0.00 54.58 52.74 1wnl n ASN 133 Cb 0.00 0.05 0.03 0.00 -0.61 0.00 0.00 39.78 39.24 1wnl n ASN 133 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1wnl s ASN 134 N -1.12 5.87 0.47 6.41 4.22 -1.20 -4.85 114.94 124.73 1wnl s ASN 134 Ca 0.15 1.32 -0.22 0.00 -2.14 0.00 0.00 52.86 51.97 1wnl s ASN 134 Cb 0.11 -2.27 -0.08 0.00 1.28 0.00 0.00 41.25 40.29 1wnl s ASN 134 CO 0.18 -1.09 1.09 -1.59 -2.04 0.00 0.00 177.10 173.64 1wnl s LYS 135 N -5.24 3.78 0.17 3.55 -2.85 -1.26 -4.92 119.74 112.96 1wnl s LYS 135 Ca 0.56 1.55 0.08 0.00 -1.00 0.00 0.00 55.97 57.16 1wnl s LYS 135 Cb -0.11 -2.25 -0.04 0.00 -2.06 0.00 0.00 37.83 33.37 1wnl s LYS 135 CO 0.53 -0.48 -0.17 0.14 0.10 0.00 0.00 175.35 175.47 1wnl s VAL 136 N -1.76 1.78 0.81 1.79 -7.23 -1.26 -4.86 120.40 109.67 1wnl s VAL 136 Ca 0.65 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.73 1wnl s VAL 136 Cb -0.22 -1.87 0.08 0.00 0.56 0.00 0.00 36.38 34.94 1wnl s VAL 136 CO 0.27 -0.38 1.17 -2.84 -0.31 0.00 0.00 175.10 173.01 1wnl s PRO 137 N -2.96 1.69 0.27 4.82 0.02 -1.26 -4.86 135.00 132.72 1wnl s PRO 137 Ca 0.17 1.63 -0.30 0.00 0.02 0.00 0.00 61.00 62.52 1wnl s PRO 137 Cb -0.05 -1.80 -0.13 0.00 0.02 0.00 0.00 34.50 32.54 1wnl s PRO 137 CO 0.07 -2.15 1.27 0.09 -0.33 0.00 0.00 177.00 175.95 1wnl n ASN 138 N -3.40 2.30 0.00 2.53 4.13 -1.26 -1.31 115.26 118.24 1wnl n ASN 138 Ca 0.12 1.17 0.00 0.00 1.68 0.00 0.00 54.58 57.55 1wnl n ASN 138 Cb 0.51 -1.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.36 1wnl n ASN 138 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wnl n GLY 139 N 1.57 2.76 3.37 7.41 0.00 -1.26 -5.01 105.19 114.03 1wnl n GLY 139 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1wnl n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wnl n ALA 140 N -0.65 0.03 -3.13 4.61 0.00 -0.43 -4.16 120.51 116.79 1wnl n ALA 140 Ca 0.00 -1.68 -0.12 0.00 0.00 0.00 0.00 53.44 51.63 1wnl n ALA 140 Cb 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 1wnl n ALA 140 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1wnl s THR 141 N -2.73 0.00 0.21 0.00 -1.32 -0.74 -4.83 115.64 106.23 1wnl s THR 141 Ca 0.58 -1.44 -0.09 0.00 -1.21 0.00 0.00 61.69 59.53 1wnl s THR 141 Cb -0.03 -2.56 -0.01 0.00 -1.51 0.00 0.00 72.50 68.38 1wnl s THR 141 CO 0.39 0.00 0.34 -0.94 -2.21 0.00 0.00 174.62 172.20 1wnl s SER 142 N -3.15 0.00 0.31 8.08 1.04 -1.26 -4.35 113.70 114.37 1wnl s SER 142 Ca 0.26 -1.00 0.01 0.00 0.48 0.00 0.00 55.95 55.70 1wnl s SER 142 Cb -0.01 0.49 0.51 0.00 0.10 0.00 0.00 66.02 67.11 1wnl s SER 142 CO 0.16 -0.99 1.90 0.24 0.98 0.00 0.00 173.24 175.52 1wnl h MET 143 N 2.43 0.79 -0.31 4.02 2.86 -1.23 -0.92 114.93 122.56 1wnl h MET 143 Ca -0.30 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.17 1wnl h MET 143 Cb 1.24 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 1wnl h MET 143 CO 0.44 0.65 0.01 -0.22 1.06 0.00 0.00 176.91 178.84 1wnl h LYS 144 N 0.78 0.55 -0.22 1.72 3.64 -1.25 -0.72 116.57 121.07 1wnl h LYS 144 Ca 0.19 -0.17 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1wnl h LYS 144 Cb 0.16 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1wnl h LYS 144 CO -0.02 0.68 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.61 1wnl h LEU 145 N 0.35 0.35 -0.15 5.20 3.38 -1.72 0.46 115.31 123.18 1wnl h LEU 145 Ca 0.09 -0.09 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1wnl h LEU 145 Cb 0.43 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1wnl h LEU 145 CO 0.01 0.54 -0.97 -0.33 0.09 0.00 0.00 178.44 177.78 1wnl h GLU 146 N 0.34 0.33 -0.01 1.13 4.39 -1.00 -3.32 114.58 116.45 1wnl h GLU 146 Ca 0.06 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1wnl h GLU 146 Cb 0.49 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1wnl h GLU 146 CO 0.03 1.09 -0.76 1.28 -1.16 0.00 0.00 179.01 179.48 1wnl n LEU 147 N -3.69 1.45 -2.06 1.33 4.77 -0.29 -4.99 117.00 113.52 1wnl n LEU 147 Ca -0.06 -0.61 -0.16 0.00 -0.03 0.00 0.00 56.01 55.15 1wnl n LEU 147 Cb 0.86 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.96 1wnl n LEU 147 CO 0.51 0.31 -0.10 0.61 -1.33 0.00 0.00 177.39 177.38 1wnl n GLY 148 N 1.46 -0.25 3.56 -0.72 0.00 0.16 -4.99 105.19 104.41 1wnl n GLY 148 Ca 0.06 -0.16 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 1wnl n GLY 148 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wnl s SER 149 N -2.54 -0.28 0.33 1.61 1.04 -1.05 -5.05 113.70 107.77 1wnl s SER 149 Ca 0.11 0.10 -0.29 0.00 0.48 0.00 0.00 55.95 56.36 1wnl s SER 149 Cb -0.05 0.27 -0.11 0.00 0.10 0.00 0.00 66.02 66.23 1wnl s SER 149 CO 0.14 -0.40 1.56 -0.70 0.98 0.00 0.00 173.24 174.83 1wnl s GLU 150 N -2.28 4.10 -0.12 4.02 2.56 -1.26 -4.36 118.70 121.36 1wnl s GLU 150 Ca 0.05 2.60 -0.00 0.00 0.00 0.00 0.00 54.97 57.62 1wnl s GLU 150 Cb -0.01 -2.99 -0.02 0.00 2.00 0.00 0.00 34.13 33.11 1wnl s GLU 150 CO -0.05 -0.61 -0.12 0.08 -0.56 0.00 0.00 175.26 174.00 1wnl s VAL 151 N -0.47 3.17 -0.36 3.70 1.01 -1.26 -5.05 120.40 121.13 1wnl s VAL 151 Ca 0.59 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.67 1wnl s VAL 151 Cb -0.48 -2.33 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 1wnl s VAL 151 CO 0.55 0.53 2.32 -2.65 0.00 0.00 0.00 175.10 175.85 1wnl n PRO 152 N 3.39 1.47 -0.21 2.72 -0.02 -1.26 -4.81 135.00 136.28 1wnl n PRO 152 Ca -0.18 0.27 0.01 0.00 -2.02 0.00 0.00 63.50 61.58 1wnl n PRO 152 Cb 0.53 -3.26 0.12 0.00 -0.02 0.00 0.00 33.50 30.86 1wnl n PRO 152 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1wnl h LEU 153 N 16.96 0.17 -1.60 2.45 5.85 -1.96 -1.32 115.31 135.84 1wnl h LEU 153 Ca -0.32 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 1wnl h LEU 153 Cb 1.26 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1wnl h LEU 153 CO 1.06 0.09 -0.22 0.25 -0.34 0.00 0.00 178.44 179.28 1wnl h LEU 154 N 0.37 0.00 -0.77 2.25 5.85 -1.99 -1.73 115.31 119.28 1wnl h LEU 154 Ca 0.33 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.93 1wnl h LEU 154 Cb 0.45 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1wnl h LEU 154 CO -0.35 0.22 -0.40 0.28 -0.34 0.00 0.00 178.44 177.84 1wnl h SER 155 N 0.00 0.47 -0.30 1.25 0.02 -1.64 -0.82 113.55 112.54 1wnl h SER 155 Ca -0.00 -0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 60.63 1wnl h SER 155 Cb 0.43 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1wnl h SER 155 CO 0.03 0.83 -0.26 0.58 -1.14 0.00 0.00 176.83 176.87 1wnl h VAL 156 N 0.37 1.30 -0.04 2.27 2.07 -1.12 -1.99 116.25 119.11 1wnl h VAL 156 Ca 0.03 -1.41 0.02 0.00 0.82 0.00 0.00 66.70 66.16 1wnl h VAL 156 Cb 0.87 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1wnl h VAL 156 CO 0.07 0.46 -0.08 0.15 0.02 0.00 0.00 177.57 178.19 1wnl h PHE 157 N 0.47 -0.20 -0.54 1.57 3.57 -1.07 -0.48 116.94 120.25 1wnl h PHE 157 Ca 0.05 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.61 1wnl h PHE 157 Cb 0.82 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.61 1wnl h PHE 157 CO 0.07 -0.12 0.27 0.00 -2.23 0.00 0.00 178.31 176.30 1wnl h ARG 158 N -0.12 0.51 0.08 1.11 3.08 -1.10 -0.88 114.38 117.05 1wnl h ARG 158 Ca 0.04 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1wnl h ARG 158 Cb 0.18 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1wnl h ARG 158 CO -0.11 0.33 -0.04 1.03 -1.07 0.00 0.00 179.97 180.11 1wnl h SER 159 N 0.52 -0.10 -0.38 7.04 0.87 -1.06 -2.08 113.55 118.37 1wnl h SER 159 Ca 0.24 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1wnl h SER 159 Cb 0.17 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1wnl h SER 159 CO -0.18 -0.01 0.20 0.25 -0.53 0.00 0.00 176.83 176.56 1wnl h LEU 160 N -0.17 0.49 -1.05 2.23 5.85 -0.86 -1.44 115.31 120.35 1wnl h LEU 160 Ca -0.01 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1wnl h LEU 160 Cb 0.14 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1wnl h LEU 160 CO 0.02 0.46 0.31 0.40 -0.34 0.00 0.00 178.44 179.29 1wnl h ILE 161 N 0.48 1.23 -0.25 4.05 1.08 -1.15 0.78 117.51 123.73 1wnl h ILE 161 Ca 0.13 -0.66 -0.03 0.00 -0.39 0.00 0.00 64.86 63.92 1wnl h ILE 161 Cb 0.09 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.20 1wnl h ILE 161 CO -0.02 0.27 0.06 0.74 -0.69 0.00 0.00 178.15 178.51 1wnl h THR 162 N 0.97 1.21 -0.46 -0.27 2.02 -1.10 -0.86 112.91 114.43 1wnl h THR 162 Ca 0.24 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 1wnl h THR 162 Cb 0.13 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1wnl h THR 162 CO -0.03 0.23 0.19 0.78 0.37 0.00 0.00 175.52 177.06 1wnl h ASN 163 N 0.23 0.62 -0.70 4.18 2.35 -0.85 -2.48 115.58 118.94 1wnl h ASN 163 Ca 0.08 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 1wnl h ASN 163 Cb 0.29 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1wnl h ASN 163 CO 0.00 0.61 0.17 -0.07 -1.65 0.00 0.00 177.43 176.49 1wnl h LEU 164 N 0.59 1.06 -0.51 1.61 3.38 -0.76 -1.21 115.31 119.48 1wnl h LEU 164 Ca 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1wnl h LEU 164 Cb 0.18 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1wnl h LEU 164 CO -0.01 1.02 0.27 -0.78 0.09 0.00 0.00 178.44 179.03 1wnl h ASP 165 N 1.06 0.64 -0.16 -0.43 3.58 -1.02 0.82 116.42 120.91 1wnl h ASP 165 Ca 0.22 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 1wnl h ASP 165 Cb 0.37 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1wnl h ASP 165 CO 0.00 0.56 0.06 -0.09 -2.88 0.00 0.00 179.24 176.89 1wnl h ARG 166 N 0.68 0.24 -0.83 0.28 2.43 -1.22 -1.36 114.38 114.60 1wnl h ARG 166 Ca 0.18 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1wnl h ARG 166 Cb 0.06 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1wnl h ARG 166 CO -0.03 0.32 0.50 -0.07 -1.51 0.00 0.00 179.97 179.18 1wnl h LEU 167 N 0.10 1.00 -0.27 3.80 3.38 -1.04 -2.42 115.31 119.86 1wnl h LEU 167 Ca 0.05 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1wnl h LEU 167 Cb 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1wnl h LEU 167 CO -0.00 0.77 -0.05 0.22 0.09 0.00 0.00 178.44 179.46 1wnl h TYR 168 N 1.14 0.56 -0.86 1.13 3.20 -0.66 -0.80 116.97 120.67 1wnl h TYR 168 Ca 0.30 -0.12 0.01 0.00 3.14 0.00 0.00 58.73 62.07 1wnl h TYR 168 Cb -0.05 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 1wnl h TYR 168 CO -0.00 0.70 0.57 -0.07 -1.64 0.00 0.00 178.16 177.72 1wnl h LEU 169 N 0.26 0.98 -0.36 2.82 4.07 -1.13 -1.67 115.31 120.28 1wnl h LEU 169 Ca 0.07 -0.02 -0.19 0.00 0.08 0.00 0.00 57.88 57.82 1wnl h LEU 169 Cb 0.51 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 1wnl h LEU 169 CO 0.02 0.70 -0.66 -1.13 -1.08 0.00 0.00 178.44 176.29 1wnl h ASN 170 N 1.15 0.71 -0.87 -0.43 -1.24 -1.30 -3.06 115.58 110.54 1wnl h ASN 170 Ca 0.32 -0.43 0.08 0.00 0.71 0.00 0.00 56.30 56.98 1wnl h ASN 170 Cb -0.11 -0.21 -0.06 0.00 0.73 0.00 0.00 38.32 38.67 1wnl h ASN 170 CO -0.07 1.18 0.56 0.15 -1.29 0.00 0.00 177.43 177.96 1wnl h PHE 171 N 0.45 0.96 0.00 0.67 3.04 -0.44 0.62 116.94 122.24 1wnl h PHE 171 Ca -0.02 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 1wnl h PHE 171 Cb 1.25 -0.31 -0.00 0.00 2.56 0.00 0.00 35.95 39.44 1wnl h PHE 171 CO 0.06 0.48 -0.10 -0.07 -2.02 0.00 0.00 178.31 176.66 1wnl h LEU 172 N 0.92 0.00 0.00 0.59 3.38 -1.22 -2.08 115.31 116.90 1wnl h LEU 172 Ca 0.39 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 58.02 1wnl h LEU 172 Cb 0.30 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1wnl h LEU 172 CO -0.15 0.10 -2.28 0.29 0.09 0.00 0.00 178.44 176.49 1wnl n LYS 173 N -4.07 0.65 -3.29 1.13 5.02 -0.25 -4.76 118.16 112.59 1wnl n LYS 173 Ca -0.02 0.11 -0.25 0.00 -2.02 0.00 0.00 58.31 56.12 1wnl n LYS 173 Cb 0.18 -1.45 -0.07 0.00 -0.02 0.00 0.00 35.03 33.67 1wnl n LYS 173 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wnl n ASN 174 N -3.09 2.28 0.16 4.39 3.02 0.20 -4.97 115.26 117.25 1wnl n ASN 174 Ca -0.38 -3.15 0.09 0.00 -0.03 0.00 0.00 54.58 51.11 1wnl n ASN 174 Cb 0.95 -0.65 0.50 0.00 -0.61 0.00 0.00 39.78 39.97 1wnl n ASN 174 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1wnl n PRO 175 N 0.97 0.12 0.16 3.52 -0.04 -0.78 -1.68 135.00 137.26 1wnl n PRO 175 Ca 0.26 0.61 0.11 0.00 -0.04 0.00 0.00 63.50 64.45 1wnl n PRO 175 Cb 0.47 -1.99 0.08 0.00 -0.04 0.00 0.00 33.50 32.01 1wnl n PRO 175 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1wnl h MET 176 N 0.00 0.00 -0.89 0.54 2.86 -1.93 -3.37 114.93 112.14 1wnl h MET 176 Ca 0.00 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 1wnl h MET 176 Cb 0.19 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 1wnl h MET 176 CO 0.00 0.02 0.58 -0.44 1.06 0.00 0.00 176.91 178.13 1wnl h ASP 177 N 0.00 0.82 -0.50 1.22 5.19 -1.71 -2.70 116.42 118.73 1wnl h ASP 177 Ca -0.00 0.02 0.05 0.00 -0.62 0.00 0.00 57.03 56.48 1wnl h ASP 177 Cb 1.03 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 40.36 1wnl h ASP 177 CO 0.00 0.49 0.34 -0.29 -3.12 0.00 0.00 179.24 176.66 1wnl h ILE 178 N 0.91 0.99 -0.95 0.35 6.09 -1.78 -2.40 117.51 120.73 1wnl h ILE 178 Ca 0.41 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.74 1wnl h ILE 178 Cb 0.37 0.48 -0.05 0.00 0.47 0.00 0.00 36.82 38.10 1wnl h ILE 178 CO -0.17 0.08 0.59 -0.07 -3.07 0.00 0.00 178.15 175.52 1wnl h LEU 179 N 0.47 1.12 -0.85 2.19 3.38 -1.75 -0.36 115.31 119.51 1wnl h LEU 179 Ca 0.22 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1wnl h LEU 179 Cb 0.27 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1wnl h LEU 179 CO -0.06 0.84 -0.04 0.78 0.09 0.00 0.00 178.44 180.05 1wnl h ASN 180 N 1.30 0.79 -0.29 -0.43 2.35 -1.57 0.01 115.58 117.74 1wnl h ASN 180 Ca 0.34 -0.21 -0.12 0.00 -0.55 0.00 0.00 56.30 55.76 1wnl h ASN 180 Cb -0.09 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 1wnl h ASN 180 CO -0.07 0.88 -0.26 -0.07 -1.65 0.00 0.00 177.43 176.26 1wnl h LEU 181 N 0.75 0.81 -0.01 1.61 3.38 -1.27 -1.79 115.31 118.79 1wnl h LEU 181 Ca 0.14 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1wnl h LEU 181 Cb 0.51 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1wnl h LEU 181 CO 0.03 1.03 0.00 0.58 0.09 0.00 0.00 178.44 180.17 1wnl h VAL 182 N 0.68 1.16 -0.45 1.22 2.07 -0.67 -2.65 116.25 117.61 1wnl h VAL 182 Ca 0.09 -0.46 0.07 0.00 0.82 0.00 0.00 66.70 67.22 1wnl h VAL 182 Cb 0.79 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 1wnl h VAL 182 CO 0.07 0.12 0.08 0.03 0.02 0.00 0.00 177.57 177.88 1wnl h ARG 183 N -0.18 0.20 0.00 1.57 3.08 -0.87 0.11 114.38 118.29 1wnl h ARG 183 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1wnl h ARG 183 Cb 0.20 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1wnl h ARG 183 CO -0.00 0.13 0.00 -0.25 -1.07 0.00 0.00 179.97 178.78 1wnl n ASP 184 N -5.12 0.50 -0.06 7.04 8.00 -0.69 -2.75 116.55 123.49 1wnl n ASP 184 Ca 0.04 0.66 0.03 0.00 0.71 0.00 0.00 54.79 56.23 1wnl n ASP 184 Cb 0.21 -0.75 0.05 0.00 -0.02 0.00 0.00 41.12 40.61 1wnl n ASP 184 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1wnl n ASN 185 N -2.09 1.81 -4.77 -2.24 3.02 -0.42 -5.06 115.26 105.51 1wnl n ASN 185 Ca 0.01 -2.28 -0.29 0.00 -0.03 0.00 0.00 54.58 51.98 1wnl n ASN 185 Cb 0.15 -0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.10 1wnl n ASN 185 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1wnl s MET 186 N -1.49 2.84 -0.37 3.52 1.75 -0.10 0.15 119.30 125.59 1wnl s MET 186 Ca 0.11 -0.75 -0.29 0.00 -1.25 0.00 0.00 55.69 53.51 1wnl s MET 186 Cb 0.10 -2.68 0.01 0.00 2.84 0.00 0.00 34.83 35.10 1wnl s MET 186 CO 0.01 0.54 1.27 0.42 -0.65 0.00 0.00 175.02 176.61 1wnl s ILE 187 N -1.46 4.14 0.26 10.11 1.01 -0.38 -4.84 121.20 130.04 1wnl s ILE 187 Ca 0.29 1.24 0.01 0.00 0.00 0.00 0.00 60.65 62.19 1wnl s ILE 187 Cb -0.12 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 1wnl s ILE 187 CO 0.22 -0.66 0.09 -0.76 0.00 0.00 0.00 174.94 173.83 1wnl s LEU 188 N 4.57 1.68 -0.50 2.97 1.43 -1.26 -4.84 118.68 122.73 1wnl s LEU 188 Ca 0.54 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1wnl s LEU 188 Cb -0.13 -0.00 0.00 0.00 0.03 0.00 0.00 46.19 46.08 1wnl s LEU 188 CO 0.26 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 176.73 1wnl n GLY 189 N -0.47 0.74 3.36 -3.19 0.00 0.86 -5.02 105.19 101.47 1wnl n GLY 189 Ca -0.00 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 1wnl n GLY 189 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wnl s VAL 190 N -2.14 1.81 0.15 1.61 -7.23 -1.26 -4.91 120.40 108.43 1wnl s VAL 190 Ca 0.00 -2.23 -0.30 0.00 -1.81 0.00 0.00 61.98 57.64 1wnl s VAL 190 Cb 0.00 -2.08 -0.07 0.00 0.56 0.00 0.00 36.38 34.79 1wnl s VAL 190 CO 0.00 -0.57 0.98 -0.60 -0.31 0.00 0.00 175.10 174.60 1wnl s ARG 191 N -3.63 4.71 0.13 4.82 3.52 -1.26 -0.99 118.95 126.25 1wnl s ARG 191 Ca 0.23 1.51 0.00 0.00 -0.13 0.00 0.00 55.73 57.35 1wnl s ARG 191 Cb -0.01 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 1wnl s ARG 191 CO 0.08 0.25 0.01 0.14 -0.81 0.00 0.00 175.30 174.97 1wnl s VAL 192 N -0.30 0.42 -0.06 7.11 -7.23 0.26 -1.46 120.40 119.14 1wnl s VAL 192 Ca 0.46 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.72 1wnl s VAL 192 Cb -0.25 -1.96 0.01 0.00 0.56 0.00 0.00 36.38 34.74 1wnl s VAL 192 CO 0.31 -0.59 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.65 1wnl s LYS 193 N -3.95 1.59 -0.30 4.82 2.20 0.53 -1.71 119.74 122.92 1wnl s LYS 193 Ca 0.20 -0.37 -0.18 0.00 -0.36 0.00 0.00 55.97 55.26 1wnl s LYS 193 Cb 0.07 -1.34 -0.02 0.00 -1.51 0.00 0.00 37.83 35.03 1wnl s LYS 193 CO 0.00 0.01 0.49 0.42 -0.36 0.00 0.00 175.35 175.92 1wnl s ILE 194 N 0.70 5.06 0.62 5.43 -1.09 -0.33 -0.91 121.20 130.69 1wnl s ILE 194 Ca -0.14 0.63 -0.07 0.00 -2.23 0.00 0.00 60.65 58.84 1wnl s ILE 194 Cb -0.16 -3.86 0.02 0.00 -1.58 0.00 0.00 42.46 36.88 1wnl s ILE 194 CO 0.03 -0.02 0.95 -0.76 -1.23 0.00 0.00 174.94 173.90 1wnl s LEU 195 N 2.31 3.12 0.00 2.97 1.43 -0.01 -2.72 118.68 125.79 1wnl s LEU 195 Ca 0.19 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 1wnl s LEU 195 Cb -0.16 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.53 1wnl s LEU 195 CO 0.11 -1.18 0.00 0.61 0.23 0.00 0.00 176.35 176.12 1wnl n GLY 196 N -2.69 -1.19 3.71 -3.19 0.00 -1.26 -4.53 105.19 96.04 1wnl n GLY 196 Ca 0.05 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 1wnl n GLY 196 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wnl s ASP 197 N -4.00 6.50 -1.07 1.61 -1.08 -1.26 -2.25 116.67 115.12 1wnl s ASP 197 Ca 0.00 2.71 -0.01 0.00 -0.52 0.00 0.00 52.55 54.73 1wnl s ASP 197 Cb 0.00 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1wnl s ASP 197 CO 0.00 -0.89 0.10 0.61 0.52 0.00 0.00 175.17 175.50 1wnl n GLY 198 N 3.89 -0.14 3.58 2.66 0.00 -1.26 -4.95 105.19 108.97 1wnl n GLY 198 Ca 0.15 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1wnl n GLY 198 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wnl n SER 199 N -0.57 0.87 -3.73 1.61 2.88 -0.95 -5.01 113.62 108.72 1wnl n SER 199 Ca -0.13 1.04 -0.10 0.00 -1.33 0.00 0.00 58.87 58.35 1wnl n SER 199 Cb 0.61 -1.29 -0.04 0.00 -0.75 0.00 0.00 64.21 62.73 1wnl n SER 199 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1wnl s PHE 200 N -1.26 -0.13 0.23 0.66 -0.12 -1.10 -5.01 117.98 111.25 1wnl s PHE 200 Ca 0.62 -0.21 0.09 0.00 -0.05 0.00 0.00 56.93 57.38 1wnl s PHE 200 Cb -0.60 0.38 -0.05 0.00 -0.63 0.00 0.00 43.02 42.13 1wnl s PHE 200 CO 0.58 -0.90 -0.16 -1.21 -0.05 0.00 0.00 175.22 173.48 1wnl s GLU 201 N -3.87 1.42 0.00 1.99 2.02 -1.26 -1.19 118.70 117.82 1wnl s GLU 201 Ca 0.09 -1.64 0.00 0.00 0.02 0.00 0.00 54.97 53.44 1wnl s GLU 201 Cb -0.01 -1.28 0.00 0.00 0.10 0.00 0.00 34.13 32.94 1wnl s GLU 201 CO -0.04 0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.87 1wnl n GLY 202 N -0.45 -1.55 3.72 -1.39 0.00 -0.69 -4.40 105.19 100.43 1wnl n GLY 202 Ca -0.07 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 1wnl n GLY 202 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wnl s ILE 203 N -2.52 5.19 -0.68 -0.61 -1.09 -0.05 -0.57 121.20 120.86 1wnl s ILE 203 Ca 0.00 0.94 -0.27 0.00 -2.23 0.00 0.00 60.65 59.09 1wnl s ILE 203 Cb 0.00 -3.81 0.02 0.00 -1.58 0.00 0.00 42.46 37.09 1wnl s ILE 203 CO 0.00 0.32 1.37 0.00 -1.23 0.00 0.00 174.94 175.40 1wnl s ALA 204 N 0.69 2.70 -0.05 9.38 0.00 -0.16 -1.18 121.76 133.14 1wnl s ALA 204 Ca 0.26 -1.11 -0.21 0.00 0.00 0.00 0.00 51.96 50.89 1wnl s ALA 204 Cb -0.15 -4.22 -0.31 0.00 0.00 0.00 0.00 23.12 18.44 1wnl s ALA 204 CO 0.10 -3.25 0.86 0.93 0.00 0.00 0.00 175.76 174.39 1wnl h GLU 205 N 10.81 0.29 0.00 0.00 4.39 -1.20 0.24 114.58 129.12 1wnl h GLU 205 Ca -0.27 -0.50 0.23 0.00 0.34 0.00 0.00 59.36 59.15 1wnl h GLU 205 Cb 1.07 0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.87 1wnl h GLU 205 CO 1.25 1.24 0.56 -3.47 -1.16 0.00 0.00 179.01 177.42 1wnl n ASP 206 N -4.11 -0.55 -4.39 1.42 2.03 -1.23 -4.57 116.55 105.16 1wnl n ASP 206 Ca -0.15 -1.01 -0.30 0.00 0.52 0.00 0.00 54.79 53.85 1wnl n ASP 206 Cb 0.83 0.83 -0.14 0.00 -0.72 0.00 0.00 41.12 41.92 1wnl n ASP 206 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1wnl s ILE 207 N -2.00 2.40 0.00 5.18 -4.36 -1.26 -0.07 121.20 121.09 1wnl s ILE 207 Ca 0.18 -1.33 0.00 0.00 -0.26 0.00 0.00 60.65 59.24 1wnl s ILE 207 Cb -0.00 -1.97 0.00 0.00 1.25 0.00 0.00 42.46 41.74 1wnl s ILE 207 CO -0.02 0.34 0.00 -0.90 0.24 0.00 0.00 174.94 174.61 1wnl n ASP 208 N 1.66 0.00 0.00 4.36 5.68 -0.32 -4.85 116.55 123.07 1wnl n ASP 208 Ca -0.17 -0.73 0.05 0.00 -0.50 0.00 0.00 54.79 53.44 1wnl n ASP 208 Cb 0.52 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.76 1wnl n ASP 208 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1wnl n ASP 209 N -2.20 0.00 -0.39 -1.12 5.75 -1.26 -1.32 116.55 116.01 1wnl n ASP 209 Ca 0.00 0.23 0.04 0.00 -0.01 0.00 0.00 54.79 55.04 1wnl n ASP 209 Cb 0.00 -0.34 0.08 0.00 -1.03 0.00 0.00 41.12 39.83 1wnl n ASP 209 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1wnl n PHE 210 N -1.34 0.20 -1.01 2.11 3.01 -1.26 -4.97 117.46 114.20 1wnl n PHE 210 Ca 0.04 -0.31 -0.00 0.00 1.01 0.00 0.00 57.45 58.19 1wnl n PHE 210 Cb 0.09 -0.02 -0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1wnl n PHE 210 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wnl n GLY 211 N 0.29 0.47 3.76 1.37 0.00 -0.44 -4.96 105.19 105.68 1wnl n GLY 211 Ca 0.07 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1wnl n GLY 211 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wnl s ARG 212 N -0.46 4.58 -0.05 1.61 0.52 -1.26 -4.71 118.95 119.18 1wnl s ARG 212 Ca 0.00 1.64 -0.30 0.00 -0.52 0.00 0.00 55.73 56.55 1wnl s ARG 212 Cb 0.00 -3.04 -0.02 0.00 0.52 0.00 0.00 34.95 32.41 1wnl s ARG 212 CO 0.00 0.21 1.03 -1.17 0.02 0.00 0.00 175.30 175.39 1wnl s LEU 213 N -1.69 4.31 -0.30 2.53 2.96 -0.59 -1.18 118.68 124.72 1wnl s LEU 213 Ca 0.47 1.65 -0.15 0.00 -0.22 0.00 0.00 54.13 55.87 1wnl s LEU 213 Cb -0.28 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.82 1wnl s LEU 213 CO 0.35 -0.39 0.38 -0.63 -1.32 0.00 0.00 176.35 174.74 1wnl s ILE 214 N 1.55 5.16 -0.10 6.68 -1.09 0.90 -0.53 121.20 133.77 1wnl s ILE 214 Ca 0.51 0.39 0.02 0.00 -2.23 0.00 0.00 60.65 59.34 1wnl s ILE 214 Cb -0.21 -3.76 -0.01 0.00 -1.58 0.00 0.00 42.46 36.90 1wnl s ILE 214 CO 0.23 0.05 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.20 1wnl s ILE 215 N 2.09 2.81 -0.36 2.92 1.01 -0.18 -0.64 121.20 128.85 1wnl s ILE 215 Ca 0.14 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 1wnl s ILE 215 Cb -0.16 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1wnl s ILE 215 CO 0.11 0.55 0.21 -0.60 0.00 0.00 0.00 174.94 175.21 1wnl s ARG 216 N 0.10 3.04 0.68 2.79 3.52 -0.33 -1.49 118.95 127.26 1wnl s ARG 216 Ca -0.07 -0.94 -0.11 0.00 -0.13 0.00 0.00 55.73 54.48 1wnl s ARG 216 Cb -0.15 -3.74 0.00 0.00 -1.56 0.00 0.00 34.95 29.50 1wnl s ARG 216 CO 0.05 -0.61 1.06 -0.51 -0.81 0.00 0.00 175.30 174.47 1wnl s LEU 217 N 1.60 3.13 0.58 -0.88 1.02 -0.01 -0.87 118.68 123.27 1wnl s LEU 217 Ca 0.03 1.57 0.29 0.00 0.02 0.00 0.00 54.13 56.04 1wnl s LEU 217 Cb -0.18 -4.47 1.77 0.00 0.02 0.00 0.00 46.19 43.33 1wnl s LEU 217 CO 0.07 -1.35 2.24 0.44 0.02 0.00 0.00 176.35 177.78 1wnl h ASP 218 N -0.65 0.00 1.00 2.29 3.32 -1.88 0.73 116.42 121.23 1wnl h ASP 218 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1wnl h ASP 218 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1wnl h ASP 218 CO 0.58 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.56 1wnl n SER 219 N -3.90 0.73 0.00 6.45 3.41 -1.26 -4.86 113.62 114.18 1wnl n SER 219 Ca -0.03 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 1wnl n SER 219 Cb 0.10 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 1wnl n SER 219 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wnl n GLY 220 N 0.47 1.31 3.76 5.00 0.00 0.25 -5.06 105.19 110.93 1wnl n GLY 220 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1wnl n GLY 220 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wnl s GLU 221 N -0.80 3.60 -0.18 1.61 2.12 -1.25 -4.70 118.70 119.10 1wnl s GLU 221 Ca 0.00 2.41 -0.02 0.00 0.36 0.00 0.00 54.97 57.72 1wnl s GLU 221 Cb 0.00 -2.60 -0.01 0.00 0.26 0.00 0.00 34.13 31.78 1wnl s GLU 221 CO 0.00 -0.88 -0.09 0.08 -0.54 0.00 0.00 175.26 173.83 1wnl s VAL 222 N -1.21 3.14 0.07 3.70 1.01 -1.26 -0.83 120.40 125.03 1wnl s VAL 222 Ca 0.62 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 62.10 1wnl s VAL 222 Cb -0.44 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1wnl s VAL 222 CO 0.55 0.48 -0.23 -0.54 0.00 0.00 0.00 175.10 175.36 1wnl s LYS 223 N 0.96 1.78 -0.25 2.72 1.02 -0.55 -4.98 119.74 120.43 1wnl s LYS 223 Ca -0.01 -1.14 -0.02 0.00 0.02 0.00 0.00 55.97 54.81 1wnl s LYS 223 Cb -0.15 -2.04 0.02 0.00 -0.52 0.00 0.00 37.83 35.15 1wnl s LYS 223 CO -0.00 0.50 -0.04 0.15 -0.92 0.00 0.00 175.35 175.04 1wnl s LYS 224 N -1.60 2.90 -0.18 1.68 1.02 -1.26 -1.01 119.74 121.29 1wnl s LYS 224 Ca 0.14 -0.94 -0.18 0.00 0.02 0.00 0.00 55.97 55.00 1wnl s LYS 224 Cb -0.10 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 1wnl s LYS 224 CO 0.05 -0.40 0.51 0.08 -0.92 0.00 0.00 175.35 174.67 1wnl s VAL 225 N 1.36 5.12 0.33 3.17 1.01 0.31 -4.89 120.40 126.81 1wnl s VAL 225 Ca 0.01 0.96 -0.11 0.00 0.00 0.00 0.00 61.98 62.84 1wnl s VAL 225 Cb -0.17 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 1wnl s VAL 225 CO -0.03 0.21 0.69 -0.63 0.00 0.00 0.00 175.10 175.34 1wnl s ILE 226 N 1.38 4.82 0.48 2.22 1.01 -1.26 -1.54 121.20 128.30 1wnl s ILE 226 Ca 0.25 0.61 -0.22 0.00 0.00 0.00 0.00 60.65 61.28 1wnl s ILE 226 Cb -0.15 -3.67 -0.07 0.00 0.01 0.00 0.00 42.46 38.58 1wnl s ILE 226 CO 0.10 -0.30 1.18 -0.47 0.00 0.00 0.00 174.94 175.44 1wnl s TYR 227 N -2.10 2.80 -3.50 3.97 6.14 -1.26 -4.76 117.35 118.64 1wnl s TYR 227 Ca 0.50 1.52 0.00 0.00 0.64 0.00 0.00 57.07 59.74 1wnl s TYR 227 Cb -0.10 -3.40 0.00 0.00 0.42 0.00 0.00 41.96 38.87 1wnl s TYR 227 CO 0.25 -1.63 0.00 0.41 0.64 0.00 0.00 175.55 175.22 1wnl n GLY 228 N 0.44 0.28 2.30 8.97 0.00 -1.26 -4.90 105.19 111.01 1wnl n GLY 228 Ca 0.08 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 1wnl n GLY 228 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wnl n ASP 229 N 0.00 3.47 -4.60 1.61 8.00 -1.26 -4.80 116.55 118.96 1wnl n ASP 229 Ca 0.00 -2.12 -0.34 0.00 0.71 0.00 0.00 54.79 53.04 1wnl n ASP 229 Cb 0.00 -0.88 -0.10 0.00 -0.02 0.00 0.00 41.12 40.11 1wnl n ASP 229 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wnl s VAL 230 N 2.18 4.52 -0.15 2.53 1.01 -1.26 -5.07 120.40 124.16 1wnl s VAL 230 Ca 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 1wnl s VAL 230 Cb 0.17 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1wnl s VAL 230 CO -0.01 0.47 -0.11 -0.44 0.00 0.00 0.00 175.10 175.02 1wnl s SER 231 N 0.33 4.11 0.02 3.32 0.01 -1.26 -5.01 113.70 115.22 1wnl s SER 231 Ca 0.01 -0.33 0.08 0.00 1.31 0.00 0.00 55.95 57.03 1wnl s SER 231 Cb -0.13 -1.65 -0.02 0.00 0.21 0.00 0.00 66.02 64.43 1wnl s SER 231 CO 0.01 0.13 -0.25 -0.22 0.41 0.00 0.00 173.24 173.32 1wnl s LEU 232 N 0.57 2.12 -0.03 2.44 0.20 -1.26 -0.83 118.68 121.88 1wnl s LEU 232 Ca -0.07 -0.52 0.03 0.00 0.69 0.00 0.00 54.13 54.27 1wnl s LEU 232 Cb -0.15 -1.22 0.00 0.00 -0.43 0.00 0.00 46.19 44.39 1wnl s LEU 232 CO 0.03 0.26 -0.12 -0.60 -0.29 0.00 0.00 176.35 175.63 1wnl s ARG 233 N -0.96 1.30 -0.01 1.98 3.52 -0.08 -4.96 118.95 119.75 1wnl s ARG 233 Ca 0.10 -0.42 -0.27 0.00 -0.13 0.00 0.00 55.73 55.00 1wnl s ARG 233 Cb -0.10 -1.17 -0.04 0.00 -1.56 0.00 0.00 34.95 32.09 1wnl s ARG 233 CO 0.01 0.16 0.86 -0.06 -0.81 0.00 0.00 175.30 175.46 1wnl s PHE 234 N 0.15 3.65 -2.98 5.12 0.08 -1.26 -0.35 117.98 122.40 1wnl s PHE 234 Ca -0.04 1.53 0.24 0.00 0.12 0.00 0.00 56.93 58.78 1wnl s PHE 234 Cb -0.10 -2.98 0.23 0.00 -0.57 0.00 0.00 43.02 39.60 1wnl s PHE 234 CO 0.01 0.07 1.28 1.28 -0.10 0.00 0.00 175.22 177.76