#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpn s LYS 3 N 0.00 4.51 0.12 5.31 2.47 -1.26 -4.39 119.74 126.49 1wpn s LYS 3 Ca 0.00 1.88 0.07 0.00 -1.56 0.00 0.00 55.97 56.37 1wpn s LYS 3 Cb 0.00 -3.22 -0.04 0.00 -1.46 0.00 0.00 37.83 33.11 1wpn s LYS 3 CO 0.00 -0.04 -0.18 0.96 0.16 0.00 0.00 175.35 176.25 1wpn s ILE 4 N -0.32 1.58 -0.09 5.43 -4.36 0.14 -4.54 121.20 119.05 1wpn s ILE 4 Ca 0.51 -1.64 -0.03 0.00 -0.26 0.00 0.00 60.65 59.23 1wpn s ILE 4 Cb -0.33 -1.55 -0.04 0.00 1.25 0.00 0.00 42.46 41.79 1wpn s ILE 4 CO 0.38 -0.22 0.06 -0.76 0.24 0.00 0.00 174.94 174.64 1wpn s LEU 5 N -2.18 3.89 -0.12 0.37 1.43 -1.23 -1.60 118.68 119.24 1wpn s LEU 5 Ca 0.08 0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 1wpn s LEU 5 Cb -0.08 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1wpn s LEU 5 CO 0.04 0.37 -0.22 -0.63 0.23 0.00 0.00 176.35 176.15 1wpn s ILE 6 N -0.98 2.15 0.04 -0.59 1.01 -0.47 -1.14 121.20 121.24 1wpn s ILE 6 Ca 0.15 -0.97 -0.17 0.00 0.00 0.00 0.00 60.65 59.66 1wpn s ILE 6 Cb -0.12 -1.84 0.03 0.00 0.01 0.00 0.00 42.46 40.54 1wpn s ILE 6 CO 0.04 0.55 0.38 0.72 0.00 0.00 0.00 174.94 176.64 1wpn s PHE 7 N 0.55 -0.22 0.00 3.97 -0.12 -0.73 -0.96 117.98 120.47 1wpn s PHE 7 Ca -0.13 0.17 0.00 0.00 -0.05 0.00 0.00 56.93 56.92 1wpn s PHE 7 Cb -0.17 0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.40 1wpn s PHE 7 CO 0.04 -0.54 0.00 0.41 -0.05 0.00 0.00 175.22 175.08 1wpn n GLY 8 N 0.57 1.41 3.90 1.99 0.00 -1.25 -1.02 105.19 110.79 1wpn n GLY 8 Ca -0.19 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 1wpn n GLY 8 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wpn s HIS 9 N 1.68 3.11 0.83 1.61 -3.43 -1.26 -4.73 115.29 113.10 1wpn s HIS 9 Ca 0.00 0.80 -0.14 0.00 -0.80 0.00 0.00 55.06 54.92 1wpn s HIS 9 Cb 0.00 -3.23 0.04 0.00 -1.43 0.00 0.00 32.58 27.96 1wpn s HIS 9 CO 0.00 -1.42 0.79 1.04 -2.00 0.00 0.00 174.74 173.15 1wpn n GLN 10 N -3.08 0.05 -3.55 -0.38 1.13 0.00 -3.58 117.38 107.98 1wpn n GLN 10 Ca 0.07 0.08 -0.26 0.00 -1.94 0.00 0.00 57.00 54.95 1wpn n GLN 10 Cb 0.59 -2.10 0.05 0.00 0.11 0.00 0.00 30.24 28.89 1wpn n GLN 10 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1wpn n ASN 11 N -1.95 -5.78 -4.76 1.08 3.02 -1.26 -4.83 115.26 100.78 1wpn n ASN 11 Ca 0.11 -0.89 -0.40 0.00 -0.03 0.00 0.00 54.58 53.36 1wpn n ASN 11 Cb 0.51 -3.87 0.01 0.00 -0.61 0.00 0.00 39.78 35.83 1wpn n ASN 11 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1wpn n PRO 12 N -3.78 2.33 -3.94 3.52 -0.04 -1.23 -5.03 135.00 126.83 1wpn n PRO 12 Ca -0.09 0.83 -0.27 0.00 -0.04 0.00 0.00 63.50 63.93 1wpn n PRO 12 Cb 0.60 -2.63 -0.01 0.00 -0.04 0.00 0.00 33.50 31.42 1wpn n PRO 12 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1wpn n ASP 13 N -0.04 2.84 -0.31 3.54 3.85 -1.26 -4.56 116.55 120.62 1wpn n ASP 13 Ca 0.04 -2.94 -0.05 0.00 -0.71 0.00 0.00 54.79 51.13 1wpn n ASP 13 Cb 0.41 0.00 0.08 0.00 -1.35 0.00 0.00 41.12 40.26 1wpn n ASP 13 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.20 176.93 1wpn h THR 14 N 0.73 1.26 -0.48 2.12 2.02 -1.94 -1.45 112.91 115.17 1wpn h THR 14 Ca -0.36 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.05 1wpn h THR 14 Cb 1.28 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1wpn h THR 14 CO 0.57 0.32 0.21 -0.78 0.37 0.00 0.00 175.52 176.20 1wpn h ASP 15 N 1.20 0.65 -0.02 4.18 3.58 -1.89 0.36 116.42 124.48 1wpn h ASP 15 Ca 0.29 -0.15 -0.06 0.00 0.42 0.00 0.00 57.03 57.53 1wpn h ASP 15 Cb 0.13 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1wpn h ASP 15 CO -0.03 0.62 -0.13 0.74 -2.88 0.00 0.00 179.24 177.56 1wpn h THR 16 N 0.63 1.20 0.01 2.25 2.02 -1.72 0.91 112.91 118.21 1wpn h THR 16 Ca 0.16 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 1wpn h THR 16 Cb 0.16 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1wpn h THR 16 CO -0.02 0.28 -0.08 0.40 0.37 0.00 0.00 175.52 176.47 1wpn h ILE 17 N 0.30 1.75 -0.38 3.11 1.08 -1.04 -3.20 117.51 119.12 1wpn h ILE 17 Ca 0.06 -2.29 -0.13 0.00 -0.39 0.00 0.00 64.86 62.11 1wpn h ILE 17 Cb 0.42 3.30 -0.01 0.00 -3.07 0.00 0.00 36.82 37.45 1wpn h ILE 17 CO 0.02 0.60 -0.28 0.00 -0.69 0.00 0.00 178.15 177.81 1wpn h SER 19 N 0.68 0.08 -0.26 0.00 0.02 -0.99 0.43 113.55 113.52 1wpn h SER 19 Ca 0.08 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1wpn h SER 19 Cb 0.81 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1wpn h SER 19 CO 0.07 0.62 0.06 0.00 -1.14 0.00 0.00 176.83 176.43 1wpn h ALA 20 N 1.39 0.34 -0.42 3.77 0.00 -1.49 -0.25 119.26 122.60 1wpn h ALA 20 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1wpn h ALA 20 Cb 0.99 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1wpn h ALA 20 CO 0.08 -0.00 0.17 0.82 0.00 0.00 0.00 179.25 180.31 1wpn h ILE 21 N 0.24 1.20 -0.31 0.00 2.04 -1.15 -1.73 117.51 117.80 1wpn h ILE 21 Ca 0.08 -0.60 -0.08 0.00 1.00 0.00 0.00 64.86 65.25 1wpn h ILE 21 Cb 0.29 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1wpn h ILE 21 CO 0.00 0.22 -0.13 0.00 0.00 0.00 0.00 178.15 178.25 1wpn h ALA 22 N 1.02 0.43 -0.08 1.87 0.00 -0.85 -1.67 119.26 119.98 1wpn h ALA 22 Ca 0.14 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 1wpn h ALA 22 Cb 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1wpn h ALA 22 CO -0.01 0.31 -0.54 -0.92 0.00 0.00 0.00 179.25 178.09 1wpn h TYR 23 N 0.39 0.27 -0.62 0.00 3.20 -1.01 -1.24 116.97 117.97 1wpn h TYR 23 Ca 0.07 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 1wpn h TYR 23 Cb 0.64 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 1wpn h TYR 23 CO 0.06 0.71 0.17 0.00 -1.64 0.00 0.00 178.16 177.46 1wpn h ALA 24 N 1.27 1.14 -0.19 1.82 0.00 -1.17 -0.06 119.26 122.08 1wpn h ALA 24 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1wpn h ALA 24 Cb 1.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1wpn h ALA 24 CO 0.08 0.59 0.12 0.22 0.00 0.00 0.00 179.25 180.25 1wpn h ASP 25 N 0.91 0.23 -0.15 0.00 1.82 -0.66 0.40 116.42 118.97 1wpn h ASP 25 Ca 0.20 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1wpn h ASP 25 Cb 0.29 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 1wpn h ASP 25 CO -0.00 0.22 0.10 0.25 -1.61 0.00 0.00 179.24 178.19 1wpn h LEU 26 N 0.23 0.17 -1.19 2.28 5.85 -0.92 -0.22 115.31 121.50 1wpn h LEU 26 Ca 0.07 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1wpn h LEU 26 Cb 0.03 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1wpn h LEU 26 CO -0.01 0.12 0.10 0.11 -0.34 0.00 0.00 178.44 178.42 1wpn h LYS 27 N 0.20 0.66 -0.20 1.25 1.79 -0.84 -1.77 116.57 117.66 1wpn h LYS 27 Ca 0.06 -0.12 -0.17 0.00 -2.18 0.00 0.00 60.65 58.23 1wpn h LYS 27 Cb -0.02 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.52 1wpn h LYS 27 CO -0.01 0.61 -0.58 -0.91 -1.08 0.00 0.00 179.45 177.47 1wpn h ASN 28 N 0.64 0.73 0.69 0.86 2.35 -0.68 -0.76 115.58 119.40 1wpn h ASN 28 Ca 0.15 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1wpn h ASN 28 Cb 0.25 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1wpn h ASN 28 CO -0.00 1.15 0.00 0.29 -1.65 0.00 0.00 177.43 177.22 1wpn n LYS 29 N -3.96 0.07 -0.27 0.81 5.02 -0.11 -1.67 118.16 118.05 1wpn n LYS 29 Ca -0.04 0.26 0.12 0.00 -2.02 0.00 0.00 58.31 56.63 1wpn n LYS 29 Cb 0.63 -1.62 0.26 0.00 -0.02 0.00 0.00 35.03 34.28 1wpn n LYS 29 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1wpn n LEU 30 N -1.75 3.65 0.00 -0.35 4.77 -0.71 -4.97 117.00 117.64 1wpn n LEU 30 Ca 0.04 -1.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.29 1wpn n LEU 30 Cb 0.22 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1wpn n LEU 30 CO 0.18 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 1wpn n GLY 31 N 1.52 0.82 1.31 -0.72 0.00 -0.67 -5.06 105.19 102.38 1wpn n GLY 31 Ca 0.21 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 1wpn n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wpn n PHE 32 N -2.33 -3.14 -3.61 1.61 3.01 -0.31 -5.00 117.46 107.68 1wpn n PHE 32 Ca 0.00 -0.62 -0.29 0.00 1.01 0.00 0.00 57.45 57.56 1wpn n PHE 32 Cb 0.00 -0.23 -0.12 0.00 -0.01 0.00 0.00 39.48 39.11 1wpn n PHE 32 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1wpn s ASN 33 N -2.34 3.23 0.01 4.37 2.47 -1.26 -4.49 114.94 116.94 1wpn s ASN 33 Ca 0.22 -2.67 0.07 0.00 0.42 0.00 0.00 52.86 50.89 1wpn s ASN 33 Cb -0.01 -0.83 -0.02 0.00 -1.45 0.00 0.00 41.25 38.94 1wpn s ASN 33 CO 0.14 -0.25 -0.20 0.00 -3.72 0.00 0.00 177.10 173.07 1wpn s ALA 34 N 0.35 1.71 -0.09 1.71 0.00 -1.26 -0.68 121.76 123.50 1wpn s ALA 34 Ca 0.21 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1wpn s ALA 34 Cb -0.18 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.56 1wpn s ALA 34 CO -0.04 0.40 -0.18 -2.00 0.00 0.00 0.00 175.76 173.95 1wpn s GLU 35 N -0.78 2.35 0.15 0.00 2.12 -0.63 -4.91 118.70 117.00 1wpn s GLU 35 Ca 0.08 -0.63 -0.30 0.00 0.36 0.00 0.00 54.97 54.47 1wpn s GLU 35 Cb -0.08 -1.85 -0.07 0.00 0.26 0.00 0.00 34.13 32.39 1wpn s GLU 35 CO 0.00 0.08 1.01 -1.25 -0.54 0.00 0.00 175.26 174.57 1wpn s PRO 36 N 0.57 4.67 0.31 4.30 0.04 -1.26 -1.36 135.00 142.27 1wpn s PRO 36 Ca -0.15 1.55 0.03 0.00 0.04 0.00 0.00 61.00 62.47 1wpn s PRO 36 Cb -0.17 -3.33 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 1wpn s PRO 36 CO 0.05 0.19 0.10 0.14 0.04 0.00 0.00 177.00 177.52 1wpn s VAL 37 N -0.19 0.74 0.15 -0.36 -7.23 -0.13 -3.93 120.40 109.44 1wpn s VAL 37 Ca 0.47 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.69 1wpn s VAL 37 Cb -0.26 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1wpn s VAL 37 CO 0.32 0.00 -0.11 0.00 -0.31 0.00 0.00 175.10 175.00 1wpn s ARG 38 N -3.91 1.06 0.00 4.82 1.70 0.05 -4.41 118.95 118.26 1wpn s ARG 38 Ca 0.35 -1.42 0.12 0.00 -0.47 0.00 0.00 55.73 54.31 1wpn s ARG 38 Cb 0.07 -0.69 0.09 0.00 -0.57 0.00 0.00 34.95 33.85 1wpn s ARG 38 CO 0.15 0.09 0.86 1.28 -1.08 0.00 0.00 175.30 176.60 1wpn n LEU 39 N -0.08 1.93 0.00 -1.89 4.77 -1.26 -1.18 117.00 119.29 1wpn n LEU 39 Ca -0.11 -0.99 -0.00 0.00 -0.03 0.00 0.00 56.01 54.88 1wpn n LEU 39 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1wpn n LEU 39 CO 0.31 0.36 0.02 0.61 -1.33 0.00 0.00 177.39 177.37 1wpn n GLY 40 N 0.68 1.51 3.78 -0.72 0.00 -1.26 -4.69 105.19 104.49 1wpn n GLY 40 Ca 0.07 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 1wpn n GLY 40 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wpn s GLN 41 N -2.00 3.95 -0.04 1.61 -2.07 -1.26 -4.78 119.66 115.06 1wpn s GLN 41 Ca 0.01 1.64 -0.28 0.00 -1.82 0.00 0.00 55.36 54.91 1wpn s GLN 41 Cb -0.00 -2.46 -0.03 0.00 -1.09 0.00 0.00 33.01 29.43 1wpn s GLN 41 CO 0.00 -0.36 0.90 0.08 -1.32 0.00 0.00 175.29 174.60 1wpn s VAL 42 N -1.61 4.90 0.84 3.63 1.01 -1.26 -4.36 120.40 123.55 1wpn s VAL 42 Ca 0.61 1.87 -0.13 0.00 0.00 0.00 0.00 61.98 64.33 1wpn s VAL 42 Cb -0.25 -4.24 0.10 0.00 0.00 0.00 0.00 36.38 32.00 1wpn s VAL 42 CO 0.31 0.15 1.20 0.54 0.00 0.00 0.00 175.10 177.30 1wpn s ASN 43 N 0.98 4.23 0.39 3.32 2.20 -1.26 -4.83 114.94 119.96 1wpn s ASN 43 Ca 0.47 0.65 0.12 0.00 -0.94 0.00 0.00 52.86 53.17 1wpn s ASN 43 Cb -0.19 -1.06 0.78 0.00 -2.00 0.00 0.00 41.25 38.77 1wpn s ASN 43 CO 0.23 -2.07 1.87 1.23 -2.94 0.00 0.00 177.10 175.42 1wpn h GLY 44 N -1.16 0.05 0.82 0.45 0.00 -1.89 0.62 103.07 101.96 1wpn h GLY 44 Ca -0.46 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1wpn h GLY 44 CO 0.60 0.03 -0.06 -2.09 0.00 0.00 0.00 176.54 175.02 1wpn h GLU 45 N 0.04 -0.16 -0.88 4.80 4.81 -1.81 -1.65 114.58 119.74 1wpn h GLU 45 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1wpn h GLU 45 Cb 0.55 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 1wpn h GLU 45 CO 0.04 0.05 0.56 1.15 -0.73 0.00 0.00 179.01 180.08 1wpn h THR 46 N -0.35 1.24 -0.74 0.32 2.02 -1.84 -2.64 112.91 110.92 1wpn h THR 46 Ca -0.02 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 1wpn h THR 46 Cb 0.28 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 1wpn h THR 46 CO 0.03 0.24 0.33 -0.61 0.37 0.00 0.00 175.52 175.88 1wpn h GLN 47 N 1.21 1.07 -0.67 6.66 5.75 -0.77 -0.39 115.11 127.97 1wpn h GLN 47 Ca 0.32 -0.16 0.06 0.00 -0.15 0.00 0.00 58.65 58.72 1wpn h GLN 47 Cb -0.09 -0.19 -0.06 0.00 1.07 0.00 0.00 27.48 28.21 1wpn h GLN 47 CO -0.06 0.84 0.37 -0.92 -2.65 0.00 0.00 178.83 176.40 1wpn h TYR 48 N 1.06 0.67 -0.29 3.99 3.20 -0.94 -0.18 116.97 124.47 1wpn h TYR 48 Ca 0.25 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.09 1wpn h TYR 48 Cb 0.14 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1wpn h TYR 48 CO 0.01 0.31 -0.03 0.00 -1.64 0.00 0.00 178.16 176.82 1wpn h ALA 49 N 1.36 0.40 -0.79 1.82 0.00 -1.12 0.12 119.26 121.04 1wpn h ALA 49 Ca 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1wpn h ALA 49 Cb 0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1wpn h ALA 49 CO -0.19 0.17 0.41 -0.07 0.00 0.00 0.00 179.25 179.57 1wpn h LEU 50 N 0.31 1.00 -0.32 0.00 3.38 -0.89 -1.80 115.31 116.98 1wpn h LEU 50 Ca 0.08 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 1wpn h LEU 50 Cb 0.48 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1wpn h LEU 50 CO 0.02 0.83 -0.57 0.44 0.09 0.00 0.00 178.44 179.25 1wpn h ASP 51 N 1.10 0.92 -0.57 -0.43 3.45 -0.82 -0.37 116.42 119.70 1wpn h ASP 51 Ca 0.27 -0.50 -0.05 0.00 0.43 0.00 0.00 57.03 57.18 1wpn h ASP 51 Cb 0.07 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.55 1wpn h ASP 51 CO -0.04 1.29 0.14 0.22 -1.57 0.00 0.00 179.24 179.28 1wpn h TYR 52 N 0.62 0.95 -0.60 4.55 5.03 -0.56 -2.89 116.97 124.07 1wpn h TYR 52 Ca 0.01 -0.11 0.00 0.00 2.58 0.00 0.00 58.73 61.21 1wpn h TYR 52 Cb 1.17 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 39.18 1wpn h TYR 52 CO 0.07 0.81 0.00 1.19 -1.32 0.00 0.00 178.16 178.91 1wpn n PHE 53 N -4.39 1.47 -3.68 -3.82 3.01 -0.70 -4.96 117.46 104.38 1wpn n PHE 53 Ca 0.03 -0.57 -0.22 0.00 1.01 0.00 0.00 57.45 57.70 1wpn n PHE 53 Cb 0.23 -0.27 0.03 0.00 -0.01 0.00 0.00 39.48 39.47 1wpn n PHE 53 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1wpn n LYS 54 N 0.99 -4.65 -5.28 -1.08 5.02 -0.60 -4.81 118.16 107.75 1wpn n LYS 54 Ca 0.24 0.62 -0.31 0.00 -2.02 0.00 0.00 58.31 56.84 1wpn n LYS 54 Cb 0.88 -5.15 -0.16 0.00 -0.02 0.00 0.00 35.03 30.58 1wpn n LYS 54 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wpn s GLN 55 N -5.93 2.30 0.54 1.97 -1.52 -0.25 -5.05 119.66 111.73 1wpn s GLN 55 Ca 0.04 -0.91 -0.18 0.00 -1.95 0.00 0.00 55.36 52.35 1wpn s GLN 55 Cb -0.01 -2.10 -0.06 0.00 -0.22 0.00 0.00 33.01 30.62 1wpn s GLN 55 CO 0.81 0.49 1.04 -1.83 -0.25 0.00 0.00 175.29 175.55 1wpn s GLU 56 N -0.43 3.60 0.35 2.91 -1.05 -1.26 -4.49 118.70 118.34 1wpn s GLU 56 Ca 0.04 1.25 -0.29 0.00 -0.15 0.00 0.00 54.97 55.82 1wpn s GLU 56 Cb -0.12 -2.07 -0.11 0.00 -0.44 0.00 0.00 34.13 31.39 1wpn s GLU 56 CO 0.01 -0.58 1.50 -1.12 0.95 0.00 0.00 175.26 176.02 1wpn s SER 57 N -2.46 6.38 0.60 0.83 0.01 -1.26 -4.97 113.70 112.84 1wpn s SER 57 Ca 0.65 2.99 -0.19 0.00 1.31 0.00 0.00 55.95 60.71 1wpn s SER 57 Cb -0.15 -2.66 -0.03 0.00 0.21 0.00 0.00 66.02 63.39 1wpn s SER 57 CO 0.29 -0.86 1.21 -2.65 0.41 0.00 0.00 173.24 171.63 1wpn n PRO 58 N 1.00 1.20 -1.75 12.44 -0.02 -1.26 -4.94 135.00 141.67 1wpn n PRO 58 Ca 0.03 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 1wpn n PRO 58 Cb 0.39 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.43 1wpn n PRO 58 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1wpn n ARG 59 N -1.38 2.64 -2.70 -0.52 0.63 -1.25 -4.43 116.66 109.65 1wpn n ARG 59 Ca 0.14 0.93 -0.42 0.00 -0.92 0.00 0.00 57.85 57.58 1wpn n ARG 59 Cb 0.47 -2.68 -0.03 0.00 0.45 0.00 0.00 32.46 30.66 1wpn n ARG 59 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1wpn s LEU 60 N -1.10 4.38 0.12 6.15 2.96 -1.26 -0.77 118.68 129.15 1wpn s LEU 60 Ca 0.59 1.68 0.06 0.00 -0.22 0.00 0.00 54.13 56.25 1wpn s LEU 60 Cb -0.50 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.59 1wpn s LEU 60 CO 0.55 -0.26 -0.15 0.68 -1.32 0.00 0.00 176.35 175.86 1wpn s VAL 61 N 0.95 1.37 -0.14 1.68 -7.23 -0.33 -4.92 120.40 111.78 1wpn s VAL 61 Ca 0.52 -1.66 0.15 0.00 -1.81 0.00 0.00 61.98 59.17 1wpn s VAL 61 Cb -0.21 -1.49 -0.20 0.00 0.56 0.00 0.00 36.38 35.03 1wpn s VAL 61 CO 0.28 -0.35 0.09 -0.62 -0.31 0.00 0.00 175.10 174.19 1wpn n GLU 62 N 0.66 1.30 -4.05 4.82 1.02 -1.26 -4.49 120.64 118.65 1wpn n GLU 62 Ca -0.16 -0.03 -0.07 0.00 -0.02 0.00 0.00 57.16 56.88 1wpn n GLU 62 Cb 0.56 -1.41 -0.10 0.00 -0.02 0.00 0.00 31.44 30.48 1wpn n GLU 62 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1wpn s THR 63 N -2.48 0.20 -0.05 2.62 -4.23 -1.26 -4.10 115.64 106.35 1wpn s THR 63 Ca -0.08 -1.64 0.04 0.00 -1.18 0.00 0.00 61.69 58.84 1wpn s THR 63 Cb 0.05 -1.38 -0.06 0.00 1.34 0.00 0.00 72.50 72.45 1wpn s THR 63 CO 0.66 -0.91 0.02 0.00 -0.54 0.00 0.00 174.62 173.85 1wpn n ALA 64 N 0.23 1.89 0.27 3.99 0.00 -1.26 -4.77 120.51 120.85 1wpn n ALA 64 Ca -0.15 -0.32 0.14 0.00 0.00 0.00 0.00 53.44 53.11 1wpn n ALA 64 Cb 0.61 0.13 0.73 0.00 0.00 0.00 0.00 19.45 20.92 1wpn n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wpn h ALA 65 N 0.25 1.19 0.00 0.00 0.00 -1.86 -0.24 119.26 118.60 1wpn h ALA 65 Ca -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1wpn h ALA 65 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1wpn h ALA 65 CO 0.01 0.14 0.00 -2.95 0.00 0.00 0.00 179.25 176.44 1wpn h ASN 66 N 0.00 0.00 0.00 0.00 -0.00 -1.97 -3.35 115.58 110.26 1wpn h ASN 66 Ca -0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 56.30 56.12 1wpn h ASN 66 Cb 0.38 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.67 1wpn h ASN 66 CO 0.01 0.00 -1.67 -0.62 -0.00 0.00 0.00 177.43 175.15 1wpn n GLU 67 N -2.35 0.29 -4.17 4.14 1.02 -0.21 -5.10 120.64 114.27 1wpn n GLU 67 Ca 0.03 0.07 -0.11 0.00 -0.02 0.00 0.00 57.16 57.13 1wpn n GLU 67 Cb 0.28 -1.23 -0.10 0.00 -0.02 0.00 0.00 31.44 30.37 1wpn n GLU 67 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1wpn s VAL 68 N -2.24 0.05 -0.06 2.62 -7.23 -0.56 -5.00 120.40 107.97 1wpn s VAL 68 Ca -0.16 -1.93 0.22 0.00 -1.81 0.00 0.00 61.98 58.30 1wpn s VAL 68 Cb 0.04 -2.27 -0.30 0.00 0.56 0.00 0.00 36.38 34.41 1wpn s VAL 68 CO 0.27 -0.21 0.53 0.59 -0.31 0.00 0.00 175.10 175.96 1wpn n ASN 69 N -0.19 0.11 -3.99 4.85 3.02 -1.26 -4.35 115.26 113.44 1wpn n ASN 69 Ca -0.02 0.04 -0.10 0.00 -0.03 0.00 0.00 54.58 54.48 1wpn n ASN 69 Cb 0.65 1.75 -0.11 0.00 -0.61 0.00 0.00 39.78 41.46 1wpn n ASN 69 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1wpn s GLY 70 N -4.55 0.28 0.14 7.41 0.00 -1.26 -0.95 107.32 108.39 1wpn s GLY 70 Ca -0.07 -0.60 0.02 0.00 0.00 0.00 0.00 44.72 44.07 1wpn s GLY 70 CO 0.89 -0.66 -0.04 -1.34 0.00 0.00 0.00 173.10 171.95 1wpn s VAL 71 N -1.38 0.76 -0.09 1.40 -7.23 -0.31 -3.48 120.40 110.06 1wpn s VAL 71 Ca -0.14 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.09 1wpn s VAL 71 Cb -0.10 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 34.93 1wpn s VAL 71 CO -0.01 -0.67 -0.23 -0.63 -0.31 0.00 0.00 175.10 173.26 1wpn s ILE 72 N -3.60 1.95 -0.13 -0.62 1.01 -0.29 -0.63 121.20 118.89 1wpn s ILE 72 Ca 0.18 -0.96 -0.13 0.00 0.00 0.00 0.00 60.65 59.74 1wpn s ILE 72 Cb 0.05 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 1wpn s ILE 72 CO 0.00 0.54 0.30 -0.76 0.00 0.00 0.00 174.94 175.01 1wpn s LEU 73 N 0.35 4.29 0.07 2.97 1.43 -0.45 -1.78 118.68 125.56 1wpn s LEU 73 Ca -0.18 0.57 0.08 0.00 -1.03 0.00 0.00 54.13 53.58 1wpn s LEU 73 Cb -0.17 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 1wpn s LEU 73 CO 0.08 0.16 -0.18 0.68 0.23 0.00 0.00 176.35 177.32 1wpn s VAL 74 N 0.10 2.78 -0.61 -1.59 -7.23 -0.19 -0.92 120.40 112.75 1wpn s VAL 74 Ca 0.18 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1wpn s VAL 74 Cb -0.13 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.60 1wpn s VAL 74 CO 0.05 0.26 0.00 -0.67 -0.31 0.00 0.00 175.10 174.43 1wpn n ASP 75 N 1.30 -5.14 -3.55 4.85 4.64 0.01 -3.88 116.55 114.78 1wpn n ASP 75 Ca -0.16 0.14 -0.08 0.00 -1.38 0.00 0.00 54.79 53.32 1wpn n ASP 75 Cb 0.52 -3.14 -0.02 0.00 -1.04 0.00 0.00 41.12 37.44 1wpn n ASP 75 CO 0.00 0.00 0.00 -1.38 -0.82 0.00 0.00 177.20 175.00 1wpn s HIS 76 N -1.73 -0.31 0.00 -0.67 -3.43 -1.26 -4.75 115.29 103.13 1wpn s HIS 76 Ca 0.00 0.14 0.00 0.00 -0.80 0.00 0.00 55.06 54.40 1wpn s HIS 76 Cb 0.00 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.71 1wpn s HIS 76 CO 0.00 -0.61 0.00 0.27 -2.00 0.00 0.00 174.74 172.40 1wpn n ASN 77 N -0.29 0.49 -4.75 7.38 0.23 -1.26 -4.82 115.26 112.24 1wpn n ASN 77 Ca -0.09 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.55 1wpn n ASN 77 Cb 0.62 0.06 -0.02 0.00 -2.08 0.00 0.00 39.78 38.36 1wpn n ASN 77 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1wpn s GLU 78 N -0.87 4.20 0.42 -3.83 2.02 -1.25 -4.68 118.70 114.70 1wpn s GLU 78 Ca 0.00 2.43 0.08 0.00 0.02 0.00 0.00 54.97 57.50 1wpn s GLU 78 Cb 0.00 -3.07 0.89 0.00 0.10 0.00 0.00 34.13 32.05 1wpn s GLU 78 CO 0.00 -0.51 2.05 0.07 0.02 0.00 0.00 175.26 176.89 1wpn h ARG 79 N 4.89 0.46 0.00 1.61 0.11 -1.27 -0.81 114.38 119.38 1wpn h ARG 79 Ca -0.47 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1wpn h ARG 79 Cb 1.22 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1wpn h ARG 79 CO 0.78 0.33 0.00 0.00 0.10 0.00 0.00 179.97 181.18 1wpn n GLN 80 N -4.46 0.14 0.00 0.08 0.00 -1.26 -1.39 117.38 110.49 1wpn n GLN 80 Ca 0.02 0.25 0.12 0.00 0.00 0.00 0.00 57.00 57.39 1wpn n GLN 80 Cb 0.08 -1.71 0.19 0.00 0.00 0.00 0.00 30.24 28.80 1wpn n GLN 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1wpn n GLN 81 N -1.96 0.39 -1.00 2.61 6.02 -0.32 -4.93 117.38 118.18 1wpn n GLN 81 Ca 0.04 -0.26 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 1wpn n GLN 81 Cb 0.30 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.06 1wpn n GLN 81 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1wpn n SER 82 N -1.08 0.12 -4.78 1.08 2.88 -0.49 -0.82 113.62 110.54 1wpn n SER 82 Ca 0.08 -0.94 -0.34 0.00 -1.33 0.00 0.00 58.87 56.33 1wpn n SER 82 Cb 0.35 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.82 1wpn n SER 82 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1wpn s ILE 83 N 0.94 3.31 0.45 2.46 2.07 -1.26 -4.69 121.20 124.47 1wpn s ILE 83 Ca 0.00 0.75 0.16 0.00 -1.41 0.00 0.00 60.65 60.15 1wpn s ILE 83 Cb 0.00 -3.27 0.20 0.00 0.13 0.00 0.00 42.46 39.51 1wpn s ILE 83 CO 0.00 -0.24 2.00 0.07 -1.91 0.00 0.00 174.94 174.86 1wpn h LYS 84 N 0.92 0.00 -0.85 3.50 2.10 -1.92 -2.07 116.57 118.25 1wpn h LYS 84 Ca -0.49 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 57.68 1wpn h LYS 84 Cb 1.25 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 32.31 1wpn h LYS 84 CO 0.57 0.18 0.48 -0.40 -2.00 0.00 0.00 179.45 178.27 1wpn n ASP 85 N -4.24 4.21 0.16 7.07 5.75 -1.26 -4.67 116.55 123.58 1wpn n ASP 85 Ca -0.02 -3.69 0.14 0.00 -0.01 0.00 0.00 54.79 51.21 1wpn n ASP 85 Cb 0.24 -0.80 0.70 0.00 -1.03 0.00 0.00 41.12 40.23 1wpn n ASP 85 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1wpn h ILE 86 N 1.05 0.81 0.00 2.12 6.09 -1.75 0.06 117.51 125.88 1wpn h ILE 86 Ca 0.53 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.02 1wpn h ILE 86 Cb 2.20 0.89 0.00 0.00 0.47 0.00 0.00 36.82 40.37 1wpn h ILE 86 CO 1.03 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 175.49 1wpn n GLU 87 N -4.34 0.06 -0.05 2.19 -0.58 -1.26 -2.88 120.64 113.78 1wpn n GLU 87 Ca 0.02 0.07 0.12 0.00 -0.42 0.00 0.00 57.16 56.96 1wpn n GLU 87 Cb 0.30 -1.50 0.26 0.00 -0.57 0.00 0.00 31.44 29.93 1wpn n GLU 87 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1wpn n GLU 88 N -1.46 2.14 -4.33 3.49 1.02 0.01 -4.93 120.64 116.57 1wpn n GLU 88 Ca 0.07 -1.68 -0.18 0.00 -0.02 0.00 0.00 57.16 55.35 1wpn n GLU 88 Cb 0.27 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.12 1wpn n GLU 88 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1wpn s VAL 89 N -1.87 1.64 -0.01 2.62 -7.23 -1.14 -4.83 120.40 109.58 1wpn s VAL 89 Ca 0.33 -2.16 -0.27 0.00 -1.81 0.00 0.00 61.98 58.08 1wpn s VAL 89 Cb 0.21 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 1wpn s VAL 89 CO 0.31 -0.60 0.83 -1.58 -0.31 0.00 0.00 175.10 173.75 1wpn s GLN 90 N -3.59 4.51 -0.55 4.82 0.74 -0.13 -4.95 119.66 120.52 1wpn s GLN 90 Ca 0.21 1.15 -0.25 0.00 0.05 0.00 0.00 55.36 56.51 1wpn s GLN 90 Cb -0.01 -3.43 0.04 0.00 1.10 0.00 0.00 33.01 30.71 1wpn s GLN 90 CO 0.06 0.07 0.99 0.08 -0.55 0.00 0.00 175.29 175.93 1wpn s VAL 91 N 0.68 4.33 0.06 1.34 1.01 -1.26 -1.17 120.40 125.39 1wpn s VAL 91 Ca 0.44 0.45 -0.12 0.00 0.00 0.00 0.00 61.98 62.75 1wpn s VAL 91 Cb -0.20 -4.56 -0.30 0.00 0.00 0.00 0.00 36.38 31.32 1wpn s VAL 91 CO 0.23 -1.13 1.10 -0.07 0.00 0.00 0.00 175.10 175.23 1wpn h LEU 92 N 11.11 0.74 -7.40 3.92 3.38 -1.25 -3.45 115.31 122.35 1wpn h LEU 92 Ca -0.26 -0.73 -0.08 0.00 0.09 0.00 0.00 57.88 56.90 1wpn h LEU 92 Cb 1.07 -0.24 -0.17 0.00 0.09 0.00 0.00 40.66 41.42 1wpn h LEU 92 CO 1.10 1.56 -0.13 -1.61 0.09 0.00 0.00 178.44 179.45 1wpn s GLU 93 N -2.80 0.90 -0.05 1.13 2.02 -1.24 -2.18 118.70 116.47 1wpn s GLU 93 Ca -0.08 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 54.56 1wpn s GLU 93 Cb 0.06 0.40 0.02 0.00 0.10 0.00 0.00 34.13 34.71 1wpn s GLU 93 CO 0.92 -0.30 -0.05 0.08 0.02 0.00 0.00 175.26 175.93 1wpn s VAL 94 N -2.40 0.61 -0.19 2.63 1.01 -0.16 -1.34 120.40 120.56 1wpn s VAL 94 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1wpn s VAL 94 Cb -0.01 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.76 1wpn s VAL 94 CO -0.02 0.24 -0.18 -0.63 0.00 0.00 0.00 175.10 174.52 1wpn s ILE 95 N 0.95 2.26 0.27 2.22 -1.09 -0.10 -0.57 121.20 125.14 1wpn s ILE 95 Ca -0.10 -0.87 -0.19 0.00 -2.23 0.00 0.00 60.65 57.25 1wpn s ILE 95 Cb -0.14 -1.97 0.01 0.00 -1.58 0.00 0.00 42.46 38.79 1wpn s ILE 95 CO 0.00 0.52 0.65 -0.62 -1.23 0.00 0.00 174.94 174.26 1wpn s ASP 96 N 1.32 -0.22 -0.03 3.58 3.68 -0.25 -0.81 116.67 123.94 1wpn s ASP 96 Ca 0.05 -0.68 0.13 0.00 2.13 0.00 0.00 52.55 54.18 1wpn s ASP 96 Cb -0.13 0.68 0.23 0.00 -1.45 0.00 0.00 42.92 42.25 1wpn s ASP 96 CO -0.11 -1.28 1.10 0.00 0.13 0.00 0.00 175.17 175.01 1wpn n HIS 97 N -0.43 0.00 -4.38 -5.34 1.44 -1.26 -2.16 115.22 103.09 1wpn n HIS 97 Ca -0.04 -0.43 -0.27 0.00 -2.01 0.00 0.00 57.72 54.97 1wpn n HIS 97 Cb 0.60 -0.12 -0.08 0.00 0.12 0.00 0.00 29.99 30.51 1wpn n HIS 97 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1wpn s HIS 98 N -0.60 2.42 0.91 -1.40 3.76 -1.26 -4.64 115.29 114.48 1wpn s HIS 98 Ca 0.20 -0.68 -0.11 0.00 -0.15 0.00 0.00 55.06 54.32 1wpn s HIS 98 Cb 0.21 -1.85 0.13 0.00 1.11 0.00 0.00 32.58 32.19 1wpn s HIS 98 CO -0.07 0.25 1.08 2.89 -0.85 0.00 0.00 174.74 178.04 1wpn n ARG 99 N -1.18 -0.39 -3.83 1.40 1.85 -1.26 -4.98 116.66 108.27 1wpn n ARG 99 Ca -0.05 -0.05 -0.35 0.00 -1.00 0.00 0.00 57.85 56.40 1wpn n ARG 99 Cb 0.66 -2.33 -0.10 0.00 -1.05 0.00 0.00 32.46 29.64 1wpn n ARG 99 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1wpn s ILE 100 N -2.57 5.01 0.12 8.89 1.01 -1.26 -4.85 121.20 127.55 1wpn s ILE 100 Ca 0.67 0.05 -0.24 0.00 0.00 0.00 0.00 60.65 61.12 1wpn s ILE 100 Cb -0.23 -3.30 0.08 0.00 0.01 0.00 0.00 42.46 39.01 1wpn s ILE 100 CO 0.58 0.41 0.65 0.00 0.00 0.00 0.00 174.94 176.59 1wpn s ALA 101 N 0.70 -1.65 -1.53 9.38 0.00 -1.26 -4.98 121.76 122.43 1wpn s ALA 101 Ca 0.05 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 52.53 1wpn s ALA 101 Cb -0.13 0.75 0.08 0.00 0.00 0.00 0.00 23.12 23.82 1wpn s ALA 101 CO 0.02 -0.73 0.80 0.09 0.00 0.00 0.00 175.76 175.94 1wpn n ASN 102 N -0.28 -3.19 -3.67 0.00 3.02 -1.26 -3.94 115.26 105.94 1wpn n ASN 102 Ca -0.16 -0.88 -0.10 0.00 -0.03 0.00 0.00 54.58 53.41 1wpn n ASN 102 Cb 0.64 -3.48 -0.10 0.00 -0.61 0.00 0.00 39.78 36.23 1wpn n ASN 102 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1wpn s PHE 103 N -3.46 -0.69 0.06 3.10 2.19 -1.26 -0.98 117.98 116.94 1wpn s PHE 103 Ca 0.49 1.39 -0.08 0.00 0.33 0.00 0.00 56.93 59.06 1wpn s PHE 103 Cb -0.25 0.27 -0.00 0.00 -1.31 0.00 0.00 43.02 41.72 1wpn s PHE 103 CO 0.86 -0.42 0.16 -1.21 1.83 0.00 0.00 175.22 176.45 1wpn s GLU 104 N 2.09 0.73 0.14 10.12 2.02 -1.26 -5.09 118.70 127.44 1wpn s GLU 104 Ca -0.05 -0.80 0.06 0.00 0.02 0.00 0.00 54.97 54.20 1wpn s GLU 104 Cb -0.10 0.29 -0.04 0.00 0.10 0.00 0.00 34.13 34.38 1wpn s GLU 104 CO -0.12 -0.21 -0.14 0.95 0.02 0.00 0.00 175.26 175.75 1wpn s THR 105 N -3.11 1.43 0.10 3.63 -4.23 -1.26 -5.04 115.64 107.16 1wpn s THR 105 Ca -0.01 -1.83 0.06 0.00 -1.18 0.00 0.00 61.69 58.73 1wpn s THR 105 Cb 0.02 -1.66 -0.22 0.00 1.34 0.00 0.00 72.50 71.97 1wpn s THR 105 CO -0.07 -0.45 1.21 0.00 -0.54 0.00 0.00 174.62 174.77 1wpn h ALA 106 N 3.32 0.34 -2.13 3.99 0.00 -1.99 -3.47 119.26 119.31 1wpn h ALA 106 Ca -0.40 -0.95 -0.57 0.00 0.00 0.00 0.00 54.91 52.99 1wpn h ALA 106 Cb 1.20 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 1wpn h ALA 106 CO 0.53 1.23 -0.73 -1.21 0.00 0.00 0.00 179.25 179.08 1wpn s GLU 107 N -2.69 1.63 0.98 0.00 0.41 -1.26 -5.14 118.70 112.63 1wpn s GLU 107 Ca -0.00 -1.78 -0.12 0.00 -0.41 0.00 0.00 54.97 52.66 1wpn s GLU 107 Cb 0.09 -1.55 0.12 0.00 -1.78 0.00 0.00 34.13 31.01 1wpn s GLU 107 CO 0.83 0.22 0.75 -2.30 -0.49 0.00 0.00 175.26 174.27 1wpn n PRO 108 N -0.61 -0.75 -3.86 0.39 -0.02 -1.26 -5.05 135.00 123.85 1wpn n PRO 108 Ca -0.06 -0.17 -0.07 0.00 -2.02 0.00 0.00 63.50 61.18 1wpn n PRO 108 Cb 0.61 -2.09 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 1wpn n PRO 108 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1wpn s LEU 109 N -4.11 -0.21 -0.63 2.45 2.34 -1.26 -4.98 118.68 112.29 1wpn s LEU 109 Ca 0.62 -0.69 -0.22 0.00 0.06 0.00 0.00 54.13 53.90 1wpn s LEU 109 Cb -0.22 2.71 0.07 0.00 -0.56 0.00 0.00 46.19 48.19 1wpn s LEU 109 CO 0.63 -1.38 0.92 -0.47 -1.06 0.00 0.00 176.35 174.99 1wpn s TYR 110 N -3.73 2.74 -0.26 3.48 5.04 -0.93 -5.02 117.35 118.68 1wpn s TYR 110 Ca 0.12 -0.50 -0.05 0.00 -2.44 0.00 0.00 57.07 54.20 1wpn s TYR 110 Cb -0.06 -4.19 0.00 0.00 0.35 0.00 0.00 41.96 38.07 1wpn s TYR 110 CO 0.08 -1.54 0.01 -0.47 -1.34 0.00 0.00 175.55 172.29 1wpn s TYR 111 N 3.84 3.06 -0.32 4.97 6.14 -1.26 -0.99 117.35 132.80 1wpn s TYR 111 Ca 0.22 -1.04 0.01 0.00 0.64 0.00 0.00 57.07 56.90 1wpn s TYR 111 Cb -0.17 -2.16 0.10 0.00 0.42 0.00 0.00 41.96 40.15 1wpn s TYR 111 CO 0.11 -0.58 0.06 0.50 0.64 0.00 0.00 175.55 176.29 1wpn s ARG 112 N 1.46 1.11 -0.07 4.97 3.52 0.26 -4.97 118.95 125.24 1wpn s ARG 112 Ca 0.03 -1.40 0.02 0.00 -0.13 0.00 0.00 55.73 54.25 1wpn s ARG 112 Cb -0.16 -2.55 -0.03 0.00 -1.56 0.00 0.00 34.95 30.65 1wpn s ARG 112 CO -0.01 -0.93 -0.13 0.00 -0.81 0.00 0.00 175.30 173.42 1wpn s ALA 113 N 1.30 2.72 0.04 6.12 0.00 -1.26 -1.09 121.76 129.59 1wpn s ALA 113 Ca 0.09 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.15 1wpn s ALA 113 Cb -0.18 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 1wpn s ALA 113 CO -0.16 0.51 -0.13 -1.21 0.00 0.00 0.00 175.76 174.77 1wpn s GLU 114 N -0.57 0.84 -1.49 0.00 2.02 -0.92 -4.98 118.70 113.60 1wpn s GLU 114 Ca 0.08 -0.74 -0.09 0.00 0.02 0.00 0.00 54.97 54.24 1wpn s GLU 114 Cb -0.11 -0.82 0.01 0.00 0.10 0.00 0.00 34.13 33.31 1wpn s GLU 114 CO 0.01 0.20 2.61 -0.35 0.02 0.00 0.00 175.26 177.75 1wpn n PRO 115 N 1.85 3.84 -4.36 0.39 -0.04 -1.26 -4.33 135.00 131.09 1wpn n PRO 115 Ca -0.19 -2.73 -0.29 0.00 -0.04 0.00 0.00 63.50 60.26 1wpn n PRO 115 Cb 0.55 -2.83 -0.06 0.00 -0.04 0.00 0.00 33.50 31.12 1wpn n PRO 115 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1wpn s VAL 116 N 1.21 1.57 -2.31 0.52 -7.23 -1.26 -4.97 120.40 107.93 1wpn s VAL 116 Ca 0.60 -1.78 0.28 0.00 -1.81 0.00 0.00 61.98 59.26 1wpn s VAL 116 Cb 0.17 -2.35 0.52 0.00 0.56 0.00 0.00 36.38 35.27 1wpn s VAL 116 CO -0.07 0.00 1.75 0.61 -0.31 0.00 0.00 175.10 177.08 1wpn n GLY 117 N -1.40 -0.20 3.60 2.32 0.00 -1.21 -4.84 105.19 103.47 1wpn n GLY 117 Ca -0.10 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 1wpn n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wpn h THR 119 N 3.62 1.15 0.00 0.00 2.02 -1.92 -2.84 112.91 114.94 1wpn h THR 119 Ca -0.28 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 1wpn h THR 119 Cb 1.16 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1wpn h THR 119 CO 0.16 0.19 -0.14 0.00 0.37 0.00 0.00 175.52 176.10 1wpn h ALA 120 N 1.66 1.26 -0.67 6.16 0.00 -1.91 -0.86 119.26 124.90 1wpn h ALA 120 Ca 0.09 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1wpn h ALA 120 Cb 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1wpn h ALA 120 CO 0.00 0.18 0.13 1.15 0.00 0.00 0.00 179.25 180.71 1wpn h THR 121 N 0.00 1.26 -0.27 0.00 2.02 -1.84 -0.38 112.91 113.70 1wpn h THR 121 Ca -0.00 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.14 1wpn h THR 121 Cb 0.40 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1wpn h THR 121 CO 0.02 0.38 0.00 0.40 0.37 0.00 0.00 175.52 176.69 1wpn h ILE 122 N 1.03 1.26 -0.29 3.11 2.04 -1.30 -3.08 117.51 120.26 1wpn h ILE 122 Ca 0.21 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1wpn h ILE 122 Cb 0.40 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1wpn h ILE 122 CO 0.01 0.29 0.04 -0.07 0.00 0.00 0.00 178.15 178.42 1wpn h LEU 123 N 0.27 0.39 -0.41 1.44 3.38 -1.00 -1.57 115.31 117.81 1wpn h LEU 123 Ca 0.08 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1wpn h LEU 123 Cb 0.42 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1wpn h LEU 123 CO 0.01 0.43 0.21 -1.13 0.09 0.00 0.00 178.44 178.06 1wpn h ASN 124 N 0.42 0.31 -0.67 -0.43 -1.24 -1.05 0.42 115.58 113.35 1wpn h ASN 124 Ca 0.10 0.02 0.06 0.00 0.71 0.00 0.00 56.30 57.19 1wpn h ASN 124 Cb 0.22 -0.04 -0.06 0.00 0.73 0.00 0.00 38.32 39.18 1wpn h ASN 124 CO 0.00 0.23 0.37 0.11 -1.29 0.00 0.00 177.43 176.84 1wpn h LYS 125 N 0.43 0.66 -0.58 6.67 1.57 -1.24 -2.86 116.57 121.22 1wpn h LYS 125 Ca 0.18 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1wpn h LYS 125 Cb 0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1wpn h LYS 125 CO -0.12 0.44 0.06 0.52 -0.57 0.00 0.00 179.45 179.78 1wpn h MET 126 N 0.68 0.95 -0.40 3.15 2.86 -0.23 0.33 114.93 122.27 1wpn h MET 126 Ca 0.30 -0.25 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 1wpn h MET 126 Cb 0.19 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 1wpn h MET 126 CO -0.18 0.90 0.11 1.88 1.06 0.00 0.00 176.91 180.68 1wpn h TYR 127 N 0.89 0.20 -0.39 -0.22 -1.99 -0.85 -2.02 116.97 112.59 1wpn h TYR 127 Ca 0.18 0.02 -0.15 0.00 2.00 0.00 0.00 58.73 60.78 1wpn h TYR 127 Cb 0.44 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.13 1wpn h TYR 127 CO 0.03 0.06 -0.33 0.87 -0.00 0.00 0.00 178.16 178.79 1wpn h LYS 128 N 0.26 0.88 -0.17 4.88 1.57 -1.17 -1.52 116.57 121.30 1wpn h LYS 128 Ca 0.19 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1wpn h LYS 128 Cb 0.19 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1wpn h LYS 128 CO -0.21 1.08 0.09 0.93 -0.57 0.00 0.00 179.45 180.77 1wpn h GLU 129 N 0.74 0.22 -0.31 3.15 5.08 -0.81 -2.14 114.58 120.51 1wpn h GLU 129 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1wpn h GLU 129 Cb 0.91 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1wpn h GLU 129 CO 0.08 0.17 0.00 0.09 -1.00 0.00 0.00 179.01 178.35 1wpn n ASN 130 N -4.49 3.13 -3.99 1.42 3.02 -0.77 -4.97 115.26 108.61 1wpn n ASN 130 Ca -0.01 -1.95 -0.31 0.00 -0.03 0.00 0.00 54.58 52.28 1wpn n ASN 130 Cb 0.09 -0.20 0.01 0.00 -0.61 0.00 0.00 39.78 39.08 1wpn n ASN 130 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1wpn n ASN 131 N 1.30 -4.24 -4.47 6.41 5.15 -0.68 -4.98 115.26 113.74 1wpn n ASN 131 Ca 0.18 -0.84 -0.34 0.00 -0.60 0.00 0.00 54.58 52.98 1wpn n ASN 131 Cb 0.56 -3.59 -0.12 0.00 -0.53 0.00 0.00 39.78 36.10 1wpn n ASN 131 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1wpn s VAL 132 N -3.32 3.95 0.25 3.44 1.01 -0.66 -5.04 120.40 120.02 1wpn s VAL 132 Ca 0.65 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.01 1wpn s VAL 132 Cb -0.33 -2.76 -0.10 0.00 0.00 0.00 0.00 36.38 33.19 1wpn s VAL 132 CO 0.86 0.46 1.36 -0.75 0.00 0.00 0.00 175.10 177.02 1wpn s LYS 133 N 0.70 4.34 -0.28 2.72 2.20 -1.26 -4.56 119.74 123.60 1wpn s LYS 133 Ca -0.01 2.19 -0.23 0.00 -0.36 0.00 0.00 55.97 57.56 1wpn s LYS 133 Cb -0.14 -3.13 -0.00 0.00 -1.51 0.00 0.00 37.83 33.04 1wpn s LYS 133 CO 0.02 -0.29 0.77 0.42 -0.36 0.00 0.00 175.35 175.91 1wpn s ILE 134 N -0.27 4.83 0.60 5.43 1.01 -1.26 -5.04 121.20 126.50 1wpn s ILE 134 Ca 0.56 1.27 -0.18 0.00 0.00 0.00 0.00 60.65 62.29 1wpn s ILE 134 Cb -0.39 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 37.94 1wpn s ILE 134 CO 0.44 -0.17 1.15 -1.61 0.00 0.00 0.00 174.94 174.76 1wpn s GLU 135 N 2.86 3.03 0.24 2.79 2.02 -1.26 -4.75 118.70 123.64 1wpn s GLU 135 Ca 0.32 1.64 -0.11 0.00 0.02 0.00 0.00 54.97 56.84 1wpn s GLU 135 Cb -0.15 -1.96 0.35 0.00 0.10 0.00 0.00 34.13 32.47 1wpn s GLU 135 CO 0.11 -1.11 1.60 -0.22 0.02 0.00 0.00 175.26 175.65 1wpn h LYS 136 N 0.74 0.00 -0.00 1.61 3.64 -1.95 0.11 116.57 120.72 1wpn h LYS 136 Ca -0.49 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.72 1wpn h LYS 136 Cb 1.27 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 1wpn h LYS 136 CO 0.55 0.00 -0.80 0.93 -2.27 0.00 0.00 179.45 177.87 1wpn h GLU 137 N 0.00 0.05 -0.55 1.90 5.08 -1.90 -1.34 114.58 117.83 1wpn h GLU 137 Ca 0.39 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.58 1wpn h GLU 137 Cb 0.60 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1wpn h GLU 137 CO -0.81 0.82 -0.10 0.82 -1.00 0.00 0.00 179.01 178.74 1wpn h ILE 138 N 0.03 1.27 -0.65 3.13 1.08 -1.65 -1.34 117.51 119.37 1wpn h ILE 138 Ca -0.02 -1.26 -0.03 0.00 -0.39 0.00 0.00 64.86 63.16 1wpn h ILE 138 Cb 1.41 0.95 -0.03 0.00 -3.07 0.00 0.00 36.82 36.07 1wpn h ILE 138 CO 0.11 0.45 0.28 0.00 -0.69 0.00 0.00 178.15 178.30 1wpn h ALA 139 N 0.95 1.27 -0.64 1.87 0.00 -0.77 -0.13 119.26 121.80 1wpn h ALA 139 Ca 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wpn h ALA 139 Cb 0.67 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1wpn h ALA 139 CO 0.05 0.55 0.40 0.78 0.00 0.00 0.00 179.25 181.03 1wpn h GLY 140 N 1.02 0.92 1.14 0.00 0.00 -0.84 0.64 103.07 105.95 1wpn h GLY 140 Ca 0.22 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 1wpn h GLY 140 CO -0.02 0.36 0.03 1.41 0.00 0.00 0.00 176.54 178.32 1wpn h LEU 141 N 0.87 1.00 -0.55 3.11 3.38 -0.70 -0.87 115.31 121.57 1wpn h LEU 141 Ca 0.23 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1wpn h LEU 141 Cb -0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1wpn h LEU 141 CO -0.05 1.04 0.18 0.24 0.09 0.00 0.00 178.44 179.95 1wpn h MET 142 N 0.96 0.84 -0.75 1.13 2.86 -0.67 -1.28 114.93 118.01 1wpn h MET 142 Ca 0.18 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1wpn h MET 142 Cb 0.51 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 1wpn h MET 142 CO 0.02 0.76 0.50 1.25 1.06 0.00 0.00 176.91 180.50 1wpn h LEU 143 N 0.75 0.86 -0.73 1.22 5.85 -0.76 -2.10 115.31 120.40 1wpn h LEU 143 Ca 0.18 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1wpn h LEU 143 Cb 0.26 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1wpn h LEU 143 CO -0.01 0.62 0.47 0.28 -0.34 0.00 0.00 178.44 179.46 1wpn h SER 144 N 1.01 0.81 -0.49 1.25 0.02 -0.69 -0.54 113.55 114.92 1wpn h SER 144 Ca 0.28 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.24 1wpn h SER 144 Cb -0.10 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.21 1wpn h SER 144 CO -0.07 0.57 0.28 0.00 -1.14 0.00 0.00 176.83 176.48 1wpn h ALA 145 N 1.29 0.62 -0.47 3.77 0.00 -0.85 -0.36 119.26 123.26 1wpn h ALA 145 Ca 0.28 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1wpn h ALA 145 Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1wpn h ALA 145 CO -0.08 -0.03 -0.03 0.82 0.00 0.00 0.00 179.25 179.93 1wpn h ILE 146 N 0.56 1.27 -0.59 0.00 2.04 -0.72 -0.42 117.51 119.64 1wpn h ILE 146 Ca 0.20 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 1wpn h ILE 146 Cb 0.03 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1wpn h ILE 146 CO -0.10 0.39 0.36 0.40 0.00 0.00 0.00 178.15 179.20 1wpn h ILE 147 N 0.71 1.18 0.18 -0.67 1.08 -0.94 -0.55 117.51 118.49 1wpn h ILE 147 Ca 0.13 -0.40 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 1wpn h ILE 147 Cb 0.56 0.37 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 1wpn h ILE 147 CO 0.03 0.18 -0.09 -1.28 -0.69 0.00 0.00 178.15 176.31 1wpn h SER 148 N 0.80 -0.21 0.20 1.72 0.87 -0.79 -0.19 113.55 115.95 1wpn h SER 148 Ca 0.21 -0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.58 1wpn h SER 148 Cb -0.02 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1wpn h SER 148 CO -0.04 -0.04 -0.42 0.44 -0.53 0.00 0.00 176.83 176.24 1wpn h ASP 149 N -0.36 0.29 0.35 6.23 3.32 -1.01 -2.83 116.42 122.41 1wpn h ASP 149 Ca -0.02 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1wpn h ASP 149 Cb 0.28 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1wpn h ASP 149 CO 0.04 0.68 -0.22 -1.54 -1.72 0.00 0.00 179.24 176.48 1wpn n SER 150 N -4.02 0.71 -3.58 6.45 3.41 -0.22 -4.84 113.62 111.53 1wpn n SER 150 Ca -0.02 -0.64 -0.21 0.00 -0.26 0.00 0.00 58.87 57.75 1wpn n SER 150 Cb 0.49 0.04 0.05 0.00 -0.26 0.00 0.00 64.21 64.53 1wpn n SER 150 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wpn n LEU 151 N -0.90 -3.62 -3.70 1.04 4.77 -0.20 -0.56 117.00 113.84 1wpn n LEU 151 Ca 0.12 -0.79 -0.23 0.00 -0.03 0.00 0.00 56.01 55.08 1wpn n LEU 151 Cb 0.32 -2.79 0.05 0.00 -2.33 0.00 0.00 43.42 38.66 1wpn n LEU 151 CO 0.26 0.36 0.04 -0.11 -1.33 0.00 0.00 177.39 176.61 1wpn n LEU 152 N -4.08 -3.16 -0.98 2.23 7.94 -0.52 -2.43 117.00 116.01 1wpn n LEU 152 Ca -0.24 -0.75 -0.12 0.00 -1.11 0.00 0.00 56.01 53.79 1wpn n LEU 152 Cb 0.66 -2.75 -0.04 0.00 0.53 0.00 0.00 43.42 41.81 1wpn n LEU 152 CO 0.65 0.45 -0.12 0.49 -1.11 0.00 0.00 177.39 177.75 1wpn n PHE 153 N -4.43 -0.08 0.08 1.96 3.01 -0.76 -4.89 117.46 112.35 1wpn n PHE 153 Ca -0.18 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.38 1wpn n PHE 153 Cb 0.63 -2.28 -0.16 0.00 -0.01 0.00 0.00 39.48 37.66 1wpn n PHE 153 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1wpn n LYS 154 N -2.58 0.60 -2.11 -1.08 5.02 0.28 -4.97 118.16 113.32 1wpn n LYS 154 Ca -0.12 -0.18 -0.41 0.00 -2.02 0.00 0.00 58.31 55.58 1wpn n LYS 154 Cb 0.42 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.91 1wpn n LYS 154 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1wpn s SER 155 N -4.32 6.77 0.66 4.39 1.04 0.05 -4.92 113.70 117.37 1wpn s SER 155 Ca -0.06 2.68 0.39 0.00 0.48 0.00 0.00 55.95 59.43 1wpn s SER 155 Cb 0.14 -2.65 2.11 0.00 0.10 0.00 0.00 66.02 65.72 1wpn s SER 155 CO 0.88 -0.54 2.20 1.55 0.98 0.00 0.00 173.24 178.31 1wpn h PRO 156 N 3.49 0.00 0.00 4.02 0.13 -1.94 -1.93 132.00 135.76 1wpn h PRO 156 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1wpn h PRO 156 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wpn h PRO 156 CO 0.66 0.00 -0.02 0.25 -0.23 0.00 0.00 178.00 178.66 1wpn n THR 157 N -3.04 0.55 -2.15 1.56 -2.24 -1.26 -4.87 114.28 102.83 1wpn n THR 157 Ca -0.02 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 1wpn n THR 157 Cb 0.20 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 67.83 1wpn n THR 157 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wpn s THR 159 N 0.07 2.50 0.50 0.00 -4.23 -1.26 -4.94 115.64 108.28 1wpn s THR 159 Ca 0.58 -1.72 0.16 0.00 -1.18 0.00 0.00 61.69 59.52 1wpn s THR 159 Cb -0.38 -2.97 0.29 0.00 1.34 0.00 0.00 72.50 70.78 1wpn s THR 159 CO 0.40 -0.06 2.10 0.44 -0.54 0.00 0.00 174.62 176.96 1wpn h ASP 160 N 1.49 0.10 -0.52 3.99 3.32 -1.99 -1.33 116.42 121.47 1wpn h ASP 160 Ca -0.43 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.57 1wpn h ASP 160 Cb 1.25 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.75 1wpn h ASP 160 CO 0.68 0.07 0.14 1.56 -1.72 0.00 0.00 179.24 179.97 1wpn h GLN 161 N 0.12 0.89 -0.17 3.56 4.20 -1.99 -1.54 115.11 120.17 1wpn h GLN 161 Ca 0.08 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 1wpn h GLN 161 Cb 0.17 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1wpn h GLN 161 CO -0.01 0.79 -0.08 -0.44 -0.67 0.00 0.00 178.83 178.42 1wpn h ASP 162 N 0.85 0.37 -0.56 1.46 3.32 -1.67 -1.67 116.42 118.53 1wpn h ASP 162 Ca 0.19 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1wpn h ASP 162 Cb 0.31 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1wpn h ASP 162 CO -0.00 0.69 0.35 0.58 -1.72 0.00 0.00 179.24 179.14 1wpn h VAL 163 N 0.05 1.16 -0.40 -1.35 2.07 -1.23 -0.45 116.25 116.10 1wpn h VAL 163 Ca 0.04 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 1wpn h VAL 163 Cb 0.55 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1wpn h VAL 163 CO 0.02 0.16 0.02 0.00 0.02 0.00 0.00 177.57 177.79 1wpn h ALA 164 N 1.18 0.54 -0.79 1.67 0.00 -1.27 -2.09 119.26 118.49 1wpn h ALA 164 Ca 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1wpn h ALA 164 Cb -0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1wpn h ALA 164 CO -0.04 0.30 0.46 0.00 0.00 0.00 0.00 179.25 179.97 1wpn h ALA 165 N 0.90 1.00 -0.49 0.00 0.00 -1.09 -2.32 119.26 117.27 1wpn h ALA 165 Ca 0.12 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1wpn h ALA 165 Cb 0.45 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1wpn h ALA 165 CO 0.02 0.48 0.32 0.00 0.00 0.00 0.00 179.25 180.06 1wpn h ALA 166 N 1.25 0.62 -0.44 0.00 0.00 -0.77 0.56 119.26 120.48 1wpn h ALA 166 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1wpn h ALA 166 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1wpn h ALA 166 CO -0.05 0.04 0.28 -0.22 0.00 0.00 0.00 179.25 179.31 1wpn h LYS 167 N 0.64 0.59 -0.31 0.00 3.64 -1.12 -0.27 116.57 119.74 1wpn h LYS 167 Ca 0.19 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1wpn h LYS 167 Cb -0.05 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 1wpn h LYS 167 CO -0.05 0.40 0.12 0.93 -2.27 0.00 0.00 179.45 178.58 1wpn h GLU 168 N 0.59 0.25 -0.10 1.90 5.08 -1.08 -2.45 114.58 118.78 1wpn h GLU 168 Ca 0.16 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1wpn h GLU 168 Cb -0.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1wpn h GLU 168 CO -0.03 0.17 -0.49 -0.07 -1.00 0.00 0.00 179.01 177.59 1wpn h LEU 169 N 0.26 0.28 -0.99 1.33 3.38 -0.69 -2.36 115.31 116.52 1wpn h LEU 169 Ca 0.14 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1wpn h LEU 169 Cb 0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1wpn h LEU 169 CO -0.13 0.73 -0.18 0.00 0.09 0.00 0.00 178.44 178.95 1wpn h ALA 170 N 1.28 1.15 -0.47 1.53 0.00 -0.90 0.50 119.26 122.36 1wpn h ALA 170 Ca 0.01 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1wpn h ALA 170 Cb 0.94 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1wpn h ALA 170 CO 0.08 0.53 -0.08 1.49 0.00 0.00 0.00 179.25 181.27 1wpn h GLU 171 N 0.48 0.88 -0.35 0.00 4.81 -1.07 -0.12 114.58 119.21 1wpn h GLU 171 Ca 0.08 -0.32 -0.14 0.00 -0.13 0.00 0.00 59.36 58.85 1wpn h GLU 171 Cb 0.58 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1wpn h GLU 171 CO 0.04 0.97 -0.33 0.82 -0.73 0.00 0.00 179.01 179.77 1wpn h ILE 172 N 0.73 1.28 0.00 2.32 2.04 -1.05 -2.78 117.51 120.04 1wpn h ILE 172 Ca 0.12 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.49 1wpn h ILE 172 Cb 0.62 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1wpn h ILE 172 CO 0.04 0.49 0.00 0.00 0.00 0.00 0.00 178.15 178.68 1wpn h ALA 173 N 0.96 1.00 -0.76 1.87 0.00 -0.70 -3.41 119.26 118.22 1wpn h ALA 173 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1wpn h ALA 173 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1wpn h ALA 173 CO 0.08 0.00 -0.09 0.41 0.00 0.00 0.00 179.25 179.65 1wpn n GLY 174 N 0.57 0.33 3.40 0.00 0.00 -0.18 -4.90 105.19 104.41 1wpn n GLY 174 Ca 0.03 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.15 1wpn n GLY 174 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wpn s VAL 175 N -2.36 1.24 -0.19 1.61 -7.23 -0.47 -5.05 120.40 107.96 1wpn s VAL 175 Ca 0.02 -2.04 -0.19 0.00 -1.81 0.00 0.00 61.98 57.96 1wpn s VAL 175 Cb -0.01 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 1wpn s VAL 175 CO 0.03 -0.19 0.52 -0.62 -0.31 0.00 0.00 175.10 174.53 1wpn s ASP 176 N -3.41 6.59 0.17 4.85 2.15 -1.26 -4.33 116.67 121.43 1wpn s ASP 176 Ca 0.32 0.71 -0.15 0.00 0.43 0.00 0.00 52.55 53.86 1wpn s ASP 176 Cb 0.06 -2.30 0.11 0.00 -0.30 0.00 0.00 42.92 40.50 1wpn s ASP 176 CO 0.12 -0.16 1.75 0.00 -0.17 0.00 0.00 175.17 176.71 1wpn h ALA 177 N 7.34 0.50 -0.30 3.66 0.00 -1.90 0.31 119.26 128.86 1wpn h ALA 177 Ca -0.35 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1wpn h ALA 177 Cb 1.16 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1wpn h ALA 177 CO 0.74 -0.25 -0.13 0.93 0.00 0.00 0.00 179.25 180.55 1wpn h GLU 178 N 0.31 0.62 -0.10 0.00 5.08 -1.98 0.11 114.58 118.63 1wpn h GLU 178 Ca 0.20 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1wpn h GLU 178 Cb 0.19 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1wpn h GLU 178 CO -0.21 0.84 -0.02 1.49 -1.00 0.00 0.00 179.01 180.11 1wpn h GLU 179 N 0.37 0.19 -0.44 2.33 4.81 -1.92 -1.04 114.58 118.88 1wpn h GLU 179 Ca 0.07 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1wpn h GLU 179 Cb 0.64 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1wpn h GLU 179 CO 0.04 0.50 0.26 -0.92 -0.73 0.00 0.00 179.01 178.16 1wpn h TYR 180 N -0.14 0.60 -0.71 0.92 3.20 -1.00 -2.96 116.97 116.89 1wpn h TYR 180 Ca 0.02 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1wpn h TYR 180 Cb 0.43 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1wpn h TYR 180 CO 0.05 0.44 0.29 0.78 -1.64 0.00 0.00 178.16 178.08 1wpn h GLY 181 N 0.59 1.12 1.02 1.82 0.00 -0.65 -0.50 103.07 106.46 1wpn h GLY 181 Ca 0.16 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1wpn h GLY 181 CO -0.03 0.55 0.56 1.41 0.00 0.00 0.00 176.54 179.03 1wpn h LEU 182 N 1.02 1.13 -0.64 3.11 3.38 -1.12 0.16 115.31 122.35 1wpn h LEU 182 Ca 0.24 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 1wpn h LEU 182 Cb 0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1wpn h LEU 182 CO -0.02 0.86 -0.29 0.78 0.09 0.00 0.00 178.44 179.86 1wpn h ASN 183 N 1.29 0.77 -0.45 -0.43 -0.26 -1.17 -1.52 115.58 113.81 1wpn h ASN 183 Ca 0.34 -0.31 -0.08 0.00 -0.56 0.00 0.00 56.30 55.69 1wpn h ASN 183 Cb -0.05 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 36.98 1wpn h ASN 183 CO -0.06 1.02 -0.04 -0.03 -1.06 0.00 0.00 177.43 177.25 1wpn h MET 184 N 0.63 0.82 -0.66 0.81 4.05 -0.73 -2.22 114.93 117.63 1wpn h MET 184 Ca 0.07 -0.29 -0.08 0.00 -0.28 0.00 0.00 59.70 59.13 1wpn h MET 184 Cb 0.82 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.53 1wpn h MET 184 CO 0.07 0.90 0.12 -0.07 0.23 0.00 0.00 176.91 178.16 1wpn h LEU 185 N 0.66 1.04 -1.57 3.39 3.38 -0.90 -2.47 115.31 118.84 1wpn h LEU 185 Ca 0.12 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1wpn h LEU 185 Cb 0.56 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1wpn h LEU 185 CO 0.03 1.02 -0.04 0.50 0.09 0.00 0.00 178.44 180.04 1wpn h LYS 186 N 1.02 0.22 0.00 1.13 3.64 -1.09 -1.86 116.57 119.63 1wpn h LYS 186 Ca 0.20 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1wpn h LYS 186 Cb 0.42 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1wpn h LYS 186 CO 0.01 0.28 -0.06 0.00 -2.27 0.00 0.00 179.45 177.41 1wpn h ALA 187 N 1.75 1.03 -0.02 5.00 0.00 -0.91 -3.50 119.26 122.62 1wpn h ALA 187 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wpn h ALA 187 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1wpn h ALA 187 CO 0.01 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.74