#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wir s SER 2 N 0.00 6.23 -0.27 1.61 0.01 -1.26 -5.01 113.70 115.02 1wir s SER 2 Ca 0.00 -0.48 -0.26 0.00 1.31 0.00 0.00 55.95 56.52 1wir s SER 2 Cb 0.00 -2.24 0.15 0.00 0.21 0.00 0.00 66.02 64.13 1wir s SER 2 CO 0.00 -0.58 1.18 -0.55 0.41 0.00 0.00 173.24 173.70 1wir s SER 3 N 1.83 -0.29 -0.34 2.44 0.15 -1.26 -5.07 113.70 111.17 1wir s SER 3 Ca 0.15 0.51 -0.12 0.00 0.70 0.00 0.00 55.95 57.18 1wir s SER 3 Cb -0.16 0.50 0.02 0.00 -1.71 0.00 0.00 66.02 64.66 1wir s SER 3 CO 0.14 -0.13 0.47 0.61 1.20 0.00 0.00 173.24 175.53 1wir n GLY 4 N 1.69 -1.24 3.04 9.45 0.00 -1.26 -4.98 105.19 111.89 1wir n GLY 4 Ca -0.11 0.97 -0.34 0.00 0.00 0.00 0.00 46.02 46.54 1wir n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wir n SER 5 N -0.32 3.94 -3.67 1.61 2.88 -1.26 -5.02 113.62 111.77 1wir n SER 5 Ca 0.09 -3.17 -0.01 0.00 -1.33 0.00 0.00 58.87 54.45 1wir n SER 5 Cb 0.36 -0.97 -0.01 0.00 -0.75 0.00 0.00 64.21 62.83 1wir n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wir s SER 6 N -0.57 -0.13 -0.06 -3.46 0.15 -1.26 -5.17 113.70 103.21 1wir s SER 6 Ca 0.27 -0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.66 1wir s SER 6 Cb -0.06 0.31 0.04 0.00 -1.71 0.00 0.00 66.02 64.60 1wir s SER 6 CO -0.13 -0.57 0.12 -0.83 1.20 0.00 0.00 173.24 173.02 1wir s GLY 7 N -2.90 0.02 0.71 9.45 0.00 -1.26 -5.14 107.32 108.20 1wir s GLY 7 Ca 0.13 0.55 -0.16 0.00 0.00 0.00 0.00 44.72 45.24 1wir s GLY 7 CO -0.01 1.04 0.87 -1.84 0.00 0.00 0.00 173.10 173.16 1wir n GLU 8 N 4.41 0.49 0.00 2.90 0.28 -1.26 -4.83 120.64 122.62 1wir n GLU 8 Ca -0.23 0.22 0.06 0.00 -0.16 0.00 0.00 57.16 57.05 1wir n GLU 8 Cb 0.51 -2.13 0.33 0.00 1.43 0.00 0.00 31.44 31.58 1wir n GLU 8 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1wir n PRO 9 N -1.56 0.49 -1.62 3.44 -0.04 -1.26 -4.84 135.00 129.61 1wir n PRO 9 Ca 0.12 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 63.09 1wir n PRO 9 Cb 0.49 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.54 1wir n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wir n ALA 10 N -0.86 -0.17 -3.78 0.55 0.00 -1.26 -4.95 120.51 110.03 1wir n ALA 10 Ca 0.08 0.49 -0.09 0.00 0.00 0.00 0.00 53.44 53.93 1wir n ALA 10 Cb 0.04 -2.17 -0.02 0.00 0.00 0.00 0.00 19.45 17.31 1wir n ALA 10 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1wir n HIS 11 N 2.75 -1.41 0.00 0.00 1.44 -1.26 -5.14 115.22 111.60 1wir n HIS 11 Ca 0.18 -1.78 0.00 0.00 -2.01 0.00 0.00 57.72 54.10 1wir n HIS 11 Cb 0.23 0.50 0.00 0.00 0.12 0.00 0.00 29.99 30.83 1wir n HIS 11 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1wir n GLY 12 N -0.45 0.57 3.80 -1.39 0.00 -1.26 -5.08 105.19 101.38 1wir n GLY 12 Ca -0.01 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 1wir n GLY 12 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wir s ARG 13 N -0.06 3.22 -0.29 1.61 3.03 -1.26 -5.09 118.95 120.11 1wir s ARG 13 Ca 0.00 -0.32 -0.16 0.00 2.03 0.00 0.00 55.73 57.28 1wir s ARG 13 Cb 0.00 -2.99 0.18 0.00 -1.03 0.00 0.00 34.95 31.11 1wir s ARG 13 CO 0.00 0.71 1.13 1.14 -1.13 0.00 0.00 175.30 177.16 1wir s GLN 14 N -1.27 0.19 0.01 3.89 0.00 -1.26 -5.17 119.66 116.06 1wir s GLN 14 Ca 0.18 0.35 0.04 0.00 -0.00 0.00 0.00 55.36 55.93 1wir s GLN 14 Cb -0.12 0.06 -0.01 0.00 0.00 0.00 0.00 33.01 32.93 1wir s GLN 14 CO 0.08 -0.04 -0.13 -1.01 0.00 0.00 0.00 175.29 174.19 1wir s HIS 15 N 1.27 1.11 -0.15 9.60 3.76 -1.26 -4.60 115.29 125.02 1wir s HIS 15 Ca -0.08 -0.27 0.01 0.00 -0.15 0.00 0.00 55.06 54.57 1wir s HIS 15 Cb -0.03 -0.69 0.00 0.00 1.11 0.00 0.00 32.58 32.98 1wir s HIS 15 CO -0.12 0.00 -0.17 -0.08 -0.85 0.00 0.00 174.74 173.51 1wir s THR 16 N -0.54 2.45 0.91 1.30 -1.32 0.67 -4.84 115.64 114.27 1wir s THR 16 Ca 0.03 -0.84 -0.12 0.00 -1.21 0.00 0.00 61.69 59.55 1wir s THR 16 Cb -0.06 -2.02 0.14 0.00 -1.51 0.00 0.00 72.50 69.05 1wir s THR 16 CO 0.00 0.53 1.09 -2.16 -2.21 0.00 0.00 174.62 171.87 1wir s PRO 17 N 0.85 1.15 0.58 7.08 0.04 -1.26 -1.49 135.00 141.95 1wir s PRO 17 Ca -0.05 0.78 -0.13 0.00 0.04 0.00 0.00 61.00 61.64 1wir s PRO 17 Cb -0.15 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 1wir s PRO 17 CO -0.01 -2.31 1.01 0.00 0.04 0.00 0.00 177.00 175.73 1wir h LEU 19 N 0.09 0.38 0.04 0.00 -0.00 -1.90 -3.38 115.31 110.53 1wir h LEU 19 Ca -0.45 -0.95 -0.08 0.00 -0.00 0.00 0.00 57.88 56.40 1wir h LEU 19 Cb 1.19 -0.12 0.01 0.00 -0.00 0.00 0.00 40.66 41.73 1wir h LEU 19 CO 0.62 1.34 -0.32 -0.26 -0.00 0.00 0.00 178.44 179.82 1wir h PHE 20 N -0.48 0.25 -4.83 1.13 -1.00 -1.91 -3.42 116.94 106.68 1wir h PHE 20 Ca -0.13 -0.16 -0.29 0.00 2.81 0.00 0.00 57.97 60.19 1wir h PHE 20 Cb 1.54 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 41.05 1wir h PHE 20 CO 0.21 1.06 -0.16 0.00 -1.61 0.00 0.00 178.31 177.81 1wir n ASP 22 N -1.76 6.79 -4.68 0.00 9.92 -1.26 -3.50 116.55 122.06 1wir n ASP 22 Ca -0.03 -3.79 -0.38 0.00 -0.53 0.00 0.00 54.79 50.05 1wir n ASP 22 Cb 0.31 -0.84 -0.07 0.00 -0.64 0.00 0.00 41.12 39.88 1wir n ASP 22 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1wir s ARG 23 N -3.84 4.21 0.07 -1.24 0.52 -1.26 -4.76 118.95 112.65 1wir s ARG 23 Ca 0.56 0.32 -0.17 0.00 -0.52 0.00 0.00 55.73 55.91 1wir s ARG 23 Cb 0.45 -3.52 -0.06 0.00 0.52 0.00 0.00 34.95 32.34 1wir s ARG 23 CO -0.18 -0.03 0.52 -0.51 0.02 0.00 0.00 175.30 175.12 1wir s LEU 24 N 1.25 4.47 0.05 2.53 1.43 -1.26 0.66 118.68 127.81 1wir s LEU 24 Ca 0.22 1.14 0.02 0.00 -1.03 0.00 0.00 54.13 54.47 1wir s LEU 24 Cb -0.15 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 1wir s LEU 24 CO 0.09 0.24 -0.07 -0.36 0.23 0.00 0.00 176.35 176.48 1wir s PHE 25 N -1.20 0.68 0.02 0.29 0.40 -0.56 -4.93 117.98 112.69 1wir s PHE 25 Ca 0.30 -0.63 -0.26 0.00 -0.60 0.00 0.00 56.93 55.74 1wir s PHE 25 Cb -0.18 -0.41 -0.17 0.00 0.51 0.00 0.00 43.02 42.78 1wir s PHE 25 CO 0.18 -0.13 1.34 0.00 0.70 0.00 0.00 175.22 177.31 1wir h ALA 26 N 4.07 -0.41 -1.16 5.36 0.00 -1.87 0.19 119.26 125.45 1wir h ALA 26 Ca -0.35 -0.17 -0.60 0.00 0.00 0.00 0.00 54.91 53.79 1wir h ALA 26 Cb 1.19 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 19.05 1wir h ALA 26 CO 0.48 -0.59 -0.47 0.45 0.00 0.00 0.00 179.25 179.12 1wir s SER 27 N -5.04 4.37 0.20 0.00 0.15 -1.26 -4.45 113.70 107.67 1wir s SER 27 Ca -0.15 -1.24 0.07 0.00 0.70 0.00 0.00 55.95 55.33 1wir s SER 27 Cb 0.03 -0.10 0.11 0.00 -1.71 0.00 0.00 66.02 64.34 1wir s SER 27 CO 0.57 -0.71 1.46 0.00 1.20 0.00 0.00 173.24 175.76 1wir h ALA 28 N 1.30 0.68 -0.22 5.45 0.00 -1.91 -3.27 119.26 121.30 1wir h ALA 28 Ca -0.42 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 53.79 1wir h ALA 28 Cb 1.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1wir h ALA 28 CO 0.69 0.92 0.09 0.93 0.00 0.00 0.00 179.25 181.88 1wir h GLU 29 N 0.05 0.32 -1.00 0.00 5.08 -2.00 -1.93 114.58 115.11 1wir h GLU 29 Ca -0.02 -0.06 0.22 0.00 -1.00 0.00 0.00 59.36 58.51 1wir h GLU 29 Cb 1.37 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.47 1wir h GLU 29 CO 0.11 0.37 0.63 0.93 -1.00 0.00 0.00 179.01 180.04 1wir h GLU 30 N 0.20 0.54 0.21 2.33 4.39 -1.98 -1.91 114.58 118.37 1wir h GLU 30 Ca 0.07 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1wir h GLU 30 Cb 0.16 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1wir h GLU 30 CO -0.01 0.36 -0.10 1.15 -1.16 0.00 0.00 179.01 179.25 1wir h THR 31 N 0.56 0.00 -0.85 1.13 2.02 -1.57 -2.79 112.91 111.41 1wir h THR 31 Ca 0.57 -0.41 0.10 0.00 0.77 0.00 0.00 66.41 67.44 1wir h THR 31 Cb 1.17 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.47 1wir h THR 31 CO -0.32 0.00 -0.43 0.49 0.37 0.00 0.00 175.52 175.63 1wir n PHE 32 N -3.90 -0.20 -0.18 3.16 3.72 -0.76 0.86 117.46 120.16 1wir n PHE 32 Ca -0.04 1.05 -0.02 0.00 -0.05 0.00 0.00 57.45 58.40 1wir n PHE 32 Cb 0.11 -0.68 0.08 0.00 -0.94 0.00 0.00 39.48 38.06 1wir n PHE 32 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1wir h SER 33 N 0.00 0.28 -0.80 4.37 0.87 -1.49 -0.53 113.55 116.25 1wir h SER 33 Ca 0.20 0.06 0.09 0.00 -1.23 0.00 0.00 61.79 60.91 1wir h SER 33 Cb 0.42 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.32 1wir h SER 33 CO -0.82 0.18 0.45 -0.74 -0.53 0.00 0.00 176.83 175.37 1wir h HIS 34 N 0.44 0.81 0.00 2.24 -0.00 0.76 -0.24 115.15 119.16 1wir h HIS 34 Ca 0.27 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.56 1wir h HIS 34 Cb 0.26 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 1wir h HIS 34 CO -0.14 0.34 -0.48 0.00 -0.00 0.00 0.00 177.93 177.65 1wir h LYS 36 N 0.00 0.00 0.02 0.00 1.57 0.47 1.95 116.57 120.58 1wir h LYS 36 Ca -0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 1wir h LYS 36 Cb 0.89 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.15 1wir h LYS 36 CO 0.06 0.03 -2.08 1.28 -0.57 0.00 0.00 179.45 178.18 1wir n LEU 37 N -3.13 2.25 -0.04 2.94 4.77 -0.63 -3.82 117.00 119.35 1wir n LEU 37 Ca 0.02 0.25 -0.02 0.00 -0.03 0.00 0.00 56.01 56.22 1wir n LEU 37 Cb 0.39 -0.93 -0.01 0.00 -2.33 0.00 0.00 43.42 40.54 1wir n LEU 37 CO 0.30 0.61 -0.18 -0.62 -1.33 0.00 0.00 177.39 176.17 1wir n GLU 38 N -3.98 0.23 0.00 3.23 -0.58 -0.19 -4.25 120.64 115.10 1wir n GLU 38 Ca -0.43 0.39 0.06 0.00 -0.42 0.00 0.00 57.16 56.76 1wir n GLU 38 Cb 0.88 -1.23 0.38 0.00 -0.57 0.00 0.00 31.44 30.90 1wir n GLU 38 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1wir n HIS 39 N -3.46 0.00 -2.59 -0.32 8.25 0.12 -4.83 115.22 112.40 1wir n HIS 39 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.33 1wir n HIS 39 Cb 0.14 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 1wir n HIS 39 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1wir n GLN 40 N -0.78 -2.14 -4.33 -0.41 6.02 0.64 -4.82 117.38 111.55 1wir n GLN 40 Ca 0.10 0.03 -0.33 0.00 -0.01 0.00 0.00 57.00 56.78 1wir n GLN 40 Cb 0.04 -3.68 -0.16 0.00 1.02 0.00 0.00 30.24 27.47 1wir n GLN 40 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1wir s PHE 41 N -1.92 2.78 -0.02 1.08 2.19 0.29 -4.87 117.98 117.51 1wir s PHE 41 Ca 0.17 -1.32 -0.03 0.00 0.33 0.00 0.00 56.93 56.08 1wir s PHE 41 Cb -0.10 -1.91 -0.04 0.00 -1.31 0.00 0.00 43.02 39.66 1wir s PHE 41 CO 0.21 -0.64 0.19 -0.80 1.83 0.00 0.00 175.22 176.01 1wir s ASN 42 N 1.07 6.38 -0.08 6.13 -0.87 -1.26 -3.14 114.94 123.17 1wir s ASN 42 Ca -0.01 0.38 -0.20 0.00 -1.57 0.00 0.00 52.86 51.46 1wir s ASN 42 Cb -0.14 -2.02 -0.29 0.00 -0.02 0.00 0.00 41.25 38.78 1wir s ASN 42 CO -0.06 0.28 0.73 -0.29 -2.57 0.00 0.00 177.10 175.19 1wir h ILE 43 N 2.95 1.32 -0.75 0.60 6.09 -2.00 -3.31 117.51 122.41 1wir h ILE 43 Ca -0.50 -2.46 0.10 0.00 -1.37 0.00 0.00 64.86 60.63 1wir h ILE 43 Cb 1.19 2.98 -0.07 0.00 0.47 0.00 0.00 36.82 41.39 1wir h ILE 43 CO 0.68 0.69 0.40 -2.24 -3.07 0.00 0.00 178.15 174.60 1wir h ASP 44 N -0.41 0.53 -0.83 2.19 2.03 -1.99 -1.18 116.42 116.77 1wir h ASP 44 Ca -0.21 0.06 0.08 0.00 -0.73 0.00 0.00 57.03 56.23 1wir h ASP 44 Cb 1.64 -0.04 -0.07 0.00 -0.83 0.00 0.00 39.33 40.04 1wir h ASP 44 CO 0.09 0.30 0.49 0.77 -1.03 0.00 0.00 179.24 179.86 1wir h SER 45 N 0.66 0.73 -0.53 4.15 4.64 -2.00 -1.44 113.55 119.77 1wir h SER 45 Ca 0.37 0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.62 1wir h SER 45 Cb 0.38 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1wir h SER 45 CO -0.27 0.44 -0.05 0.24 -0.87 0.00 0.00 176.83 176.33 1wir h MET 46 N 0.86 1.00 -0.69 4.77 2.86 -1.34 0.20 114.93 122.59 1wir h MET 46 Ca 0.38 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1wir h MET 46 Cb 0.27 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1wir h MET 46 CO -0.21 1.01 0.37 0.28 1.06 0.00 0.00 176.91 179.42 1wir h VAL 47 N 0.90 1.21 0.14 -2.22 2.07 -0.42 -1.40 116.25 116.54 1wir h VAL 47 Ca 0.15 -0.53 -0.30 0.00 0.82 0.00 0.00 66.70 66.84 1wir h VAL 47 Cb 0.59 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1wir h VAL 47 CO 0.04 0.24 -1.44 0.45 0.02 0.00 0.00 177.57 176.87 1wir h HIS 48 N 0.97 0.55 0.07 1.57 3.86 -1.10 -0.57 115.15 120.50 1wir h HIS 48 Ca 0.25 -0.40 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1wir h HIS 48 Cb 0.04 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1wir h HIS 48 CO 0.01 1.39 -0.03 -0.22 0.86 0.00 0.00 177.93 179.93 1wir h LYS 49 N 0.08 -0.09 -0.88 2.45 3.64 -0.32 -3.10 116.57 118.35 1wir h LYS 49 Ca -0.21 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 1wir h LYS 49 Cb 2.03 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.85 1wir h LYS 49 CO 0.19 -0.06 0.03 0.72 -2.27 0.00 0.00 179.45 178.06 1wir n HIS 50 N -2.27 0.77 -4.13 1.91 8.25 -0.55 -4.88 115.22 114.32 1wir n HIS 50 Ca -0.01 -0.36 -0.33 0.00 -0.26 0.00 0.00 57.72 56.76 1wir n HIS 50 Cb 0.04 -0.28 -0.08 0.00 1.12 0.00 0.00 29.99 30.79 1wir n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wir n GLY 51 N 0.17 -0.25 3.54 -1.41 0.00 -0.87 -4.65 105.19 101.72 1wir n GLY 51 Ca 0.11 0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1wir n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wir n LEU 52 N -3.80 1.34 0.00 0.99 4.77 -0.28 -4.91 117.00 115.11 1wir n LEU 52 Ca -0.05 -0.63 -0.15 0.00 -0.03 0.00 0.00 56.01 55.16 1wir n LEU 52 Cb 0.48 -1.35 0.14 0.00 -2.33 0.00 0.00 43.42 40.35 1wir n LEU 52 CO 0.80 -1.66 0.22 -1.84 -1.33 0.00 0.00 177.39 173.58 1wir n GLU 53 N 8.45 -2.89 -0.05 3.23 -0.00 -1.26 -3.62 120.64 124.50 1wir n GLU 53 Ca 0.49 -0.77 -0.01 0.00 -0.00 0.00 0.00 57.16 56.87 1wir n GLU 53 Cb 0.37 -0.88 -0.01 0.00 -0.00 0.00 0.00 31.44 30.92 1wir n GLU 53 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1wir n PHE 54 N -4.10 -0.05 -0.14 -1.84 7.35 -1.26 -0.61 117.46 116.81 1wir n PHE 54 Ca 0.07 0.15 -0.12 0.00 -0.76 0.00 0.00 57.45 56.80 1wir n PHE 54 Cb 0.29 -0.39 -0.01 0.00 0.35 0.00 0.00 39.48 39.71 1wir n PHE 54 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1wir h TYR 55 N 0.00 0.99 -0.87 -5.13 0.05 -2.00 -3.24 116.97 106.78 1wir h TYR 55 Ca 0.02 -0.24 0.14 0.00 0.05 0.00 0.00 58.73 58.69 1wir h TYR 55 Cb 0.05 -0.23 -0.14 0.00 1.01 0.00 0.00 36.73 37.41 1wir h TYR 55 CO -0.69 1.02 -0.38 0.78 -1.05 0.00 0.00 178.16 177.84 1wir h GLY 56 N 0.69 -0.01 -0.06 3.88 0.00 -1.11 0.33 103.07 106.78 1wir h GLY 56 Ca 0.09 0.50 0.17 0.00 0.00 0.00 0.00 47.33 48.10 1wir h GLY 56 CO 0.06 -0.20 0.27 -1.82 0.00 0.00 0.00 176.54 174.85 1wir h TYR 57 N -0.05 0.44 0.56 5.60 3.20 -0.98 -1.88 116.97 123.85 1wir h TYR 57 Ca 0.31 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.20 1wir h TYR 57 Cb 0.58 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1wir h TYR 57 CO -0.80 -0.04 -0.42 0.82 -1.64 0.00 0.00 178.16 176.07 1wir h ILE 58 N 0.35 0.15 -0.77 1.81 2.04 -0.47 -2.81 117.51 117.81 1wir h ILE 58 Ca 0.46 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.47 1wir h ILE 58 Cb 0.79 0.15 -0.15 0.00 -0.74 0.00 0.00 36.82 36.88 1wir h ILE 58 CO -0.49 0.00 -0.21 0.11 0.00 0.00 0.00 178.15 177.56 1wir h LYS 59 N -0.95 -0.01 -0.88 2.37 1.57 -0.78 0.27 116.57 118.15 1wir h LYS 59 Ca -0.06 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 58.95 1wir h LYS 59 Cb 0.80 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.97 1wir h LYS 59 CO 0.01 -0.01 0.23 1.25 -0.57 0.00 0.00 179.45 180.36 1wir h LEU 60 N -0.01 -0.02 0.13 2.94 7.12 -1.16 0.33 115.31 124.64 1wir h LEU 60 Ca 0.36 0.20 -0.01 0.00 0.13 0.00 0.00 57.88 58.57 1wir h LEU 60 Cb 0.56 0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.97 1wir h LEU 60 CO -0.79 -0.17 -0.06 0.40 -0.13 0.00 0.00 178.44 177.69 1wir h ILE 61 N 0.20 0.00 -1.22 4.05 1.08 -0.39 -2.93 117.51 118.30 1wir h ILE 61 Ca 0.55 -0.08 0.39 0.00 -0.39 0.00 0.00 64.86 65.34 1wir h ILE 61 Cb 1.12 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.74 1wir h ILE 61 CO -0.67 0.00 0.77 0.78 -0.69 0.00 0.00 178.15 178.35 1wir h ASN 62 N -0.25 0.31 0.51 1.72 4.21 -1.02 -0.44 115.58 120.63 1wir h ASN 62 Ca -0.02 0.14 -0.02 0.00 1.21 0.00 0.00 56.30 57.61 1wir h ASN 62 Cb 0.13 0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.44 1wir h ASN 62 CO 0.03 -0.14 -0.34 0.15 -1.29 0.00 0.00 177.43 175.84 1wir h PHE 63 N 0.16 -0.90 0.00 1.19 3.57 -0.34 0.11 116.94 120.73 1wir h PHE 63 Ca 0.77 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.26 1wir h PHE 63 Cb 2.27 0.33 0.00 0.00 2.79 0.00 0.00 35.95 41.33 1wir h PHE 63 CO -0.01 -0.49 0.10 0.82 -2.23 0.00 0.00 178.31 176.51 1wir h ILE 64 N -0.80 0.00 0.06 1.41 2.04 -0.92 0.25 117.51 119.55 1wir h ILE 64 Ca -0.07 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.52 1wir h ILE 64 Cb 0.65 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1wir h ILE 64 CO 0.05 0.00 -1.39 0.03 0.00 0.00 0.00 178.15 176.84 1wir h ARG 65 N 0.00 0.14 0.00 2.37 2.47 -0.47 -2.61 114.38 116.27 1wir h ARG 65 Ca 0.00 -0.23 -0.07 0.00 -1.26 0.00 0.00 59.98 58.42 1wir h ARG 65 Cb 0.21 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1wir h ARG 65 CO 0.00 0.98 -0.64 1.25 0.56 0.00 0.00 179.97 182.11 1wir h LEU 66 N 0.04 0.00 0.29 3.04 6.46 0.15 -3.41 115.31 121.87 1wir h LEU 66 Ca -0.18 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.36 1wir h LEU 66 Cb 1.94 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.88 1wir h LEU 66 CO 0.14 0.96 -0.14 0.11 -0.62 0.00 0.00 178.44 178.89 1wir h LYS 67 N -1.00 -0.37 -3.01 1.25 1.79 -0.83 -3.48 116.57 110.91 1wir h LYS 67 Ca -0.10 0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.30 1wir h LYS 67 Cb 0.71 0.08 0.05 0.00 -1.58 0.00 0.00 32.23 31.49 1wir h LYS 67 CO -0.06 -0.03 -0.22 -1.71 -1.08 0.00 0.00 179.45 176.34 1wir n ASN 68 N -5.10 -2.09 -2.99 0.86 2.85 -0.98 -5.05 115.26 102.76 1wir n ASN 68 Ca -0.09 -0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.20 1wir n ASN 68 Cb 0.26 -1.83 0.00 0.00 1.24 0.00 0.00 39.78 39.45 1wir n ASN 68 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1wir n PRO 69 N -1.90 -0.04 -4.40 1.20 -0.04 -1.26 -5.07 135.00 123.49 1wir n PRO 69 Ca -0.08 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.13 1wir n PRO 69 Cb 0.55 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.88 1wir n PRO 69 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1wir s THR 70 N -0.52 1.85 0.19 0.52 -1.32 -1.26 -4.91 115.64 110.19 1wir s THR 70 Ca 0.00 -1.52 -0.20 0.00 -1.21 0.00 0.00 61.69 58.75 1wir s THR 70 Cb 0.00 -1.65 0.13 0.00 -1.51 0.00 0.00 72.50 69.47 1wir s THR 70 CO 0.00 0.04 1.43 0.52 -2.21 0.00 0.00 174.62 174.41 1wir n VAL 71 N 1.22 -0.54 -0.29 5.08 0.31 -1.26 0.10 118.33 122.95 1wir n VAL 71 Ca -0.19 2.19 0.11 0.00 -0.01 0.00 0.00 64.34 66.45 1wir n VAL 71 Cb 0.53 -2.84 0.27 0.00 -0.91 0.00 0.00 33.84 30.90 1wir n VAL 71 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1wir h GLU 72 N 0.00 0.32 0.29 5.55 5.08 -1.96 -1.45 114.58 122.42 1wir h GLU 72 Ca 0.26 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1wir h GLU 72 Cb 0.50 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1wir h GLU 72 CO -0.90 0.21 -0.14 -0.92 -1.00 0.00 0.00 179.01 176.26 1wir h TYR 73 N 0.33 -0.37 -1.13 4.33 3.20 0.25 -2.78 116.97 120.80 1wir h TYR 73 Ca 0.52 -0.01 0.37 0.00 3.14 0.00 0.00 58.73 62.75 1wir h TYR 73 Cb 0.97 0.12 -0.14 0.00 1.54 0.00 0.00 36.73 39.23 1wir h TYR 73 CO -0.20 -0.04 0.69 0.52 -1.64 0.00 0.00 178.16 177.49 1wir h MET 74 N -0.71 0.20 -0.21 1.82 2.86 -0.03 0.55 114.93 119.41 1wir h MET 74 Ca -0.04 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 1wir h MET 74 Cb 0.49 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 1wir h MET 74 CO 0.07 0.13 -0.15 -0.91 1.06 0.00 0.00 176.91 177.11 1wir h ASN 75 N 0.21 0.49 -0.60 1.22 2.35 -1.23 -3.19 115.58 114.82 1wir h ASN 75 Ca 0.76 -0.44 -0.04 0.00 -0.55 0.00 0.00 56.30 56.02 1wir h ASN 75 Cb 2.07 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 40.27 1wir h ASN 75 CO -0.50 0.83 0.20 -1.28 -1.65 0.00 0.00 177.43 175.03 1wir h SER 76 N 0.16 0.87 -0.80 5.81 0.87 0.23 -3.45 113.55 117.23 1wir h SER 76 Ca 0.04 -0.20 -0.46 0.00 -1.23 0.00 0.00 61.79 59.94 1wir h SER 76 Cb 0.66 -0.23 0.08 0.00 -0.44 0.00 0.00 62.40 62.48 1wir h SER 76 CO 0.04 0.83 -0.43 -0.38 -0.53 0.00 0.00 176.83 176.36 1wir n ILE 77 N -4.42 1.18 -4.05 2.23 5.41 0.39 -4.97 119.36 115.13 1wir n ILE 77 Ca 0.03 -0.35 -0.11 0.00 1.00 0.00 0.00 62.75 63.33 1wir n ILE 77 Cb 0.20 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.07 1wir n ILE 77 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1wir s TYR 78 N -0.80 0.64 0.14 1.39 -0.85 -1.26 -5.03 117.35 111.58 1wir s TYR 78 Ca 0.44 -0.96 -0.30 0.00 -0.52 0.00 0.00 57.07 55.73 1wir s TYR 78 Cb -0.60 -0.01 -0.06 0.00 0.38 0.00 0.00 41.96 41.66 1wir s TYR 78 CO 0.40 -0.95 0.96 -0.80 -1.52 0.00 0.00 175.55 173.64 1wir s ASN 79 N -3.08 7.53 0.41 -0.18 -0.87 -1.26 -2.63 114.94 114.85 1wir s ASN 79 Ca 0.27 1.83 -0.25 0.00 -1.57 0.00 0.00 52.86 53.15 1wir s ASN 79 Cb 0.01 -2.59 -0.08 0.00 -0.02 0.00 0.00 41.25 38.56 1wir s ASN 79 CO 0.11 -0.02 1.18 -2.16 -2.57 0.00 0.00 177.10 173.65 1wir s PRO 80 N -0.26 3.98 0.47 -0.60 0.04 -1.26 -5.14 135.00 132.23 1wir s PRO 80 Ca 0.46 1.86 -0.19 0.00 0.04 0.00 0.00 61.00 63.17 1wir s PRO 80 Cb -0.24 -2.63 -0.10 0.00 0.04 0.00 0.00 34.50 31.57 1wir s PRO 80 CO 0.30 -0.38 0.97 0.14 0.04 0.00 0.00 177.00 178.07 1wir s VAL 81 N -1.42 4.41 -1.47 -0.36 -7.23 -1.08 -4.94 120.40 108.31 1wir s VAL 81 Ca 0.58 1.36 0.15 0.00 -1.81 0.00 0.00 61.98 62.26 1wir s VAL 81 Cb -0.31 -3.63 0.27 0.00 0.56 0.00 0.00 36.38 33.26 1wir s VAL 81 CO 0.39 -0.46 1.40 -0.81 -0.31 0.00 0.00 175.10 175.31 1wir n PRO 82 N -1.03 0.23 -0.43 4.82 -0.04 -1.26 -2.13 135.00 135.15 1wir n PRO 82 Ca 0.07 0.14 0.06 0.00 -0.04 0.00 0.00 63.50 63.73 1wir n PRO 82 Cb 0.54 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.72 1wir n PRO 82 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1wir n TRP 83 N -1.27 0.70 0.70 0.54 2.14 -1.26 -4.69 117.44 114.31 1wir n TRP 83 Ca 0.07 -1.08 -0.03 0.00 2.07 0.00 0.00 57.50 58.54 1wir n TRP 83 Cb 0.11 -0.31 0.02 0.00 -0.81 0.00 0.00 31.31 30.33 1wir n TRP 83 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1wir n GLU 84 N -0.89 1.14 -4.54 -2.67 1.02 -0.91 -4.76 120.64 109.03 1wir n GLU 84 Ca 0.22 -0.34 -0.31 0.00 -0.02 0.00 0.00 57.16 56.72 1wir n GLU 84 Cb 0.85 -1.13 -0.17 0.00 -0.02 0.00 0.00 31.44 30.97 1wir n GLU 84 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wir s LYS 85 N -0.37 2.69 0.28 3.49 -0.14 -1.26 -5.02 119.74 119.41 1wir s LYS 85 Ca 0.06 -0.73 0.00 0.00 -1.36 0.00 0.00 55.97 53.95 1wir s LYS 85 Cb 0.05 -2.22 0.66 0.00 -1.68 0.00 0.00 37.83 34.65 1wir s LYS 85 CO 0.01 -0.05 1.64 0.38 -0.76 0.00 0.00 175.35 176.57 1wir h ASP 86 N 7.42 -0.09 -0.85 2.83 2.03 -2.01 0.67 116.42 126.41 1wir h ASP 86 Ca -0.33 0.20 0.28 0.00 -0.73 0.00 0.00 57.03 56.45 1wir h ASP 86 Cb 1.18 0.29 -0.16 0.00 -0.83 0.00 0.00 39.33 39.82 1wir h ASP 86 CO 0.53 -0.17 0.17 -0.62 -1.03 0.00 0.00 179.24 178.12 1wir n GLU 87 N -5.26 -0.06 -0.22 4.15 1.02 -1.26 0.20 120.64 119.20 1wir n GLU 87 Ca 0.20 1.23 -0.03 0.00 -0.02 0.00 0.00 57.16 58.55 1wir n GLU 87 Cb 0.65 -2.05 0.08 0.00 -0.02 0.00 0.00 31.44 30.11 1wir n GLU 87 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1wir h TYR 88 N 0.00 0.68 -0.86 -0.32 0.05 -1.20 -2.27 116.97 113.06 1wir h TYR 88 Ca 0.59 0.02 0.36 0.00 0.05 0.00 0.00 58.73 59.75 1wir h TYR 88 Cb 1.36 -0.21 -0.15 0.00 1.01 0.00 0.00 36.73 38.73 1wir h TYR 88 CO -0.28 0.35 0.45 1.28 -1.05 0.00 0.00 178.16 178.91 1wir n LEU 89 N -4.77 0.29 -4.59 3.88 4.77 0.53 -4.46 117.00 112.65 1wir n LEU 89 Ca 0.07 1.42 -0.47 0.00 -0.03 0.00 0.00 56.01 57.01 1wir n LEU 89 Cb 0.14 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 40.51 1wir n LEU 89 CO 0.30 -1.59 0.69 0.29 -1.33 0.00 0.00 177.39 175.75 1wir n LYS 90 N -4.95 1.28 -2.04 3.23 5.02 -0.86 -4.79 118.16 115.06 1wir n LYS 90 Ca 0.32 0.46 -0.32 0.00 -2.02 0.00 0.00 58.31 56.75 1wir n LYS 90 Cb 1.09 -1.92 -0.04 0.00 -0.02 0.00 0.00 35.03 34.14 1wir n LYS 90 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1wir s PRO 91 N -0.76 2.58 0.47 1.97 0.04 -1.26 -4.81 135.00 133.23 1wir s PRO 91 Ca 0.68 0.10 0.29 0.00 0.04 0.00 0.00 61.00 62.11 1wir s PRO 91 Cb -0.79 -4.77 1.36 0.00 0.04 0.00 0.00 34.50 30.34 1wir s PRO 91 CO 0.54 -3.10 1.76 0.28 0.04 0.00 0.00 177.00 176.52 1wir h VAL 92 N 7.10 0.40 -4.55 -0.36 2.07 -1.87 -3.41 116.25 115.63 1wir h VAL 92 Ca -0.06 -0.06 -0.29 0.00 0.82 0.00 0.00 66.70 67.11 1wir h VAL 92 Cb 1.07 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1wir h VAL 92 CO 1.21 0.03 -0.20 0.18 0.02 0.00 0.00 177.57 178.81 1wir n LEU 93 N -4.42 0.00 -4.92 2.57 4.32 -1.26 -5.10 117.00 108.18 1wir n LEU 93 Ca 0.28 -1.42 -0.20 0.00 -0.02 0.00 0.00 56.01 54.64 1wir n LEU 93 Cb 1.14 0.13 -0.01 0.00 -1.62 0.00 0.00 43.42 43.06 1wir n LEU 93 CO 0.32 -0.24 0.06 -0.70 -1.22 0.00 0.00 177.39 175.61 1wir s GLU 94 N -2.87 2.59 -1.33 3.23 2.12 -1.26 -4.55 118.70 116.64 1wir s GLU 94 Ca 0.03 -1.48 -0.17 0.00 0.36 0.00 0.00 54.97 53.71 1wir s GLU 94 Cb -0.00 -2.49 0.17 0.00 0.26 0.00 0.00 34.13 32.07 1wir s GLU 94 CO 0.02 -0.27 0.42 -0.40 -0.54 0.00 0.00 175.26 174.48 1wir n ASP 95 N -1.68 -1.25 -4.63 -1.70 5.75 -1.26 -4.71 116.55 107.06 1wir n ASP 95 Ca 0.05 -0.88 -0.42 0.00 -0.01 0.00 0.00 54.79 53.52 1wir n ASP 95 Cb 0.61 -1.13 -0.03 0.00 -1.03 0.00 0.00 41.12 39.54 1wir n ASP 95 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1wir s ASP 96 N -2.62 5.97 -0.16 -1.12 -4.77 -1.26 -4.81 116.67 107.90 1wir s ASP 96 Ca 0.58 2.31 -0.25 0.00 -3.30 0.00 0.00 52.55 51.89 1wir s ASP 96 Cb -0.34 -2.52 -0.22 0.00 -1.09 0.00 0.00 42.92 38.75 1wir s ASP 96 CO 0.73 -1.49 0.56 -0.07 0.70 0.00 0.00 175.17 175.60 1wir h LEU 97 N 12.78 0.00 -0.79 2.11 3.38 -1.90 -3.32 115.31 127.57 1wir h LEU 97 Ca -0.46 -0.79 0.18 0.00 0.09 0.00 0.00 57.88 56.90 1wir h LEU 97 Cb 1.24 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.85 1wir h LEU 97 CO 0.95 1.09 -0.04 -0.07 0.09 0.00 0.00 178.44 180.46 1wir h LEU 98 N -1.00 -0.45 -1.46 1.67 3.38 -1.95 0.70 115.31 116.20 1wir h LEU 98 Ca -0.09 0.22 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1wir h LEU 98 Cb 1.01 0.40 -0.05 0.00 0.09 0.00 0.00 40.66 42.11 1wir h LEU 98 CO -0.05 -0.22 0.48 -0.07 0.09 0.00 0.00 178.44 178.67 1wir h LEU 99 N 0.07 0.54 -0.55 1.67 4.07 -1.96 -0.64 115.31 118.51 1wir h LEU 99 Ca 0.43 0.02 -0.16 0.00 0.08 0.00 0.00 57.88 58.24 1wir h LEU 99 Cb 0.75 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 1wir h LEU 99 CO -0.73 0.32 -0.59 1.56 -1.08 0.00 0.00 178.44 177.92 1wir h GLN 100 N 0.60 0.45 -5.18 1.13 4.20 0.27 -3.45 115.11 113.12 1wir h GLN 100 Ca 0.34 -0.30 -0.75 0.00 0.06 0.00 0.00 58.65 58.01 1wir h GLN 100 Cb 0.53 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1wir h GLN 100 CO -0.12 0.90 0.65 0.34 -0.67 0.00 0.00 178.83 179.94 1wir n PHE 101 N -3.92 1.46 -1.63 2.96 -0.00 -0.25 -4.67 117.46 111.41 1wir n PHE 101 Ca -0.03 0.96 -0.28 0.00 -0.00 0.00 0.00 57.45 58.09 1wir n PHE 101 Cb 0.62 -1.93 -0.08 0.00 -0.00 0.00 0.00 39.48 38.09 1wir n PHE 101 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1wir n ASP 102 N 3.77 2.29 -0.44 -2.13 9.92 -1.26 -4.72 116.55 123.98 1wir n ASP 102 Ca 0.29 -2.62 0.41 0.00 -0.53 0.00 0.00 54.79 52.34 1wir n ASP 102 Cb -0.05 -1.52 0.67 0.00 -0.64 0.00 0.00 41.12 39.59 1wir n ASP 102 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1wir h VAL 103 N 5.93 0.07 -0.90 2.53 3.04 -1.92 0.29 116.25 125.28 1wir h VAL 103 Ca 0.19 0.00 0.23 0.00 -1.01 0.00 0.00 66.70 66.11 1wir h VAL 103 Cb 0.89 0.08 -0.13 0.00 -2.01 0.00 0.00 31.29 30.12 1wir h VAL 103 CO 1.36 0.00 0.38 -0.33 -1.01 0.00 0.00 177.57 177.97 1wir h GLU 104 N 0.00 0.35 -1.26 4.17 5.08 -1.94 0.40 114.58 121.38 1wir h GLU 104 Ca 0.70 -0.02 0.36 0.00 -1.00 0.00 0.00 59.36 59.40 1wir h GLU 104 Cb 3.17 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 32.27 1wir h GLU 104 CO -0.01 0.23 0.88 -0.44 -1.00 0.00 0.00 179.01 178.67 1wir h ASP 105 N 0.36 0.14 0.36 1.42 3.32 -0.82 1.08 116.42 122.28 1wir h ASP 105 Ca 0.57 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.53 1wir h ASP 105 Cb 1.12 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1wir h ASP 105 CO -0.55 -0.00 -0.53 -0.07 -1.72 0.00 0.00 179.24 176.36 1wir h LEU 106 N 0.10 0.21 -8.99 1.55 3.38 -0.38 -3.42 115.31 107.76 1wir h LEU 106 Ca 0.65 -0.11 -0.57 0.00 0.09 0.00 0.00 57.88 57.94 1wir h LEU 106 Cb 2.30 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 42.94 1wir h LEU 106 CO -0.13 0.70 0.95 -0.31 0.09 0.00 0.00 178.44 179.74 1wir s TYR 107 N -3.88 2.76 -0.00 1.13 2.02 0.37 -4.92 117.35 114.83 1wir s TYR 107 Ca -0.04 0.93 -0.29 0.00 -0.37 0.00 0.00 57.07 57.31 1wir s TYR 107 Cb 0.13 -3.81 -0.14 0.00 -0.40 0.00 0.00 41.96 37.73 1wir s TYR 107 CO 0.78 -1.61 0.76 -1.91 -1.57 0.00 0.00 175.55 172.01 1wir n GLU 108 N 7.14 0.00 -2.18 -0.62 4.07 -1.26 -4.79 120.64 123.00 1wir n GLU 108 Ca 0.14 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.82 1wir n GLU 108 Cb 0.46 -1.07 -0.03 0.00 -0.06 0.00 0.00 31.44 30.75 1wir n GLU 108 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1wir s PRO 109 N 0.02 4.28 -0.14 5.31 0.04 -1.26 -4.91 135.00 138.34 1wir s PRO 109 Ca 0.65 2.02 0.18 0.00 0.04 0.00 0.00 61.00 63.89 1wir s PRO 109 Cb -0.90 -3.53 0.34 0.00 0.04 0.00 0.00 34.50 30.45 1wir s PRO 109 CO 0.41 -0.57 1.21 1.55 0.04 0.00 0.00 177.00 179.63 1wir n VAL 110 N 4.57 1.98 -4.35 -0.36 3.14 -1.26 -5.02 118.33 117.03 1wir n VAL 110 Ca 0.13 -2.22 -0.20 0.00 -2.96 0.00 0.00 64.34 59.09 1wir n VAL 110 Cb 0.43 -0.24 -0.10 0.00 -1.06 0.00 0.00 33.84 32.86 1wir n VAL 110 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1wir s SER 111 N -2.70 2.68 -0.22 6.55 0.01 -1.26 -5.14 113.70 113.62 1wir s SER 111 Ca 0.34 -0.95 -0.08 0.00 1.31 0.00 0.00 55.95 56.57 1wir s SER 111 Cb 0.30 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 1wir s SER 111 CO 0.04 -0.10 0.09 0.42 0.41 0.00 0.00 173.24 174.10 1wir s THR 112 N -2.56 4.81 -1.99 1.44 -4.23 -1.26 -4.96 115.64 106.88 1wir s THR 112 Ca 0.20 -0.02 0.16 0.00 -1.18 0.00 0.00 61.69 60.85 1wir s THR 112 Cb -0.03 -3.21 0.44 0.00 1.34 0.00 0.00 72.50 71.04 1wir s THR 112 CO 0.07 0.39 1.35 -0.81 -0.54 0.00 0.00 174.62 175.09 1wir n PRO 113 N 4.12 0.49 -2.75 3.99 -0.04 -1.26 -4.69 135.00 134.86 1wir n PRO 113 Ca -0.16 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.88 1wir n PRO 113 Cb 0.52 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 1wir n PRO 113 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1wir s PHE 114 N -2.01 3.18 -0.22 0.54 2.19 -1.26 -5.01 117.98 115.40 1wir s PHE 114 Ca 0.23 1.08 -0.22 0.00 0.33 0.00 0.00 56.93 58.35 1wir s PHE 114 Cb 0.11 -3.49 0.06 0.00 -1.31 0.00 0.00 43.02 38.39 1wir s PHE 114 CO 0.18 -0.67 0.62 0.45 1.83 0.00 0.00 175.22 177.63 1wir s SER 115 N 1.60 -0.64 -0.09 6.13 0.15 -1.26 -5.16 113.70 114.44 1wir s SER 115 Ca 0.40 1.19 -0.01 0.00 0.70 0.00 0.00 55.95 58.24 1wir s SER 115 Cb -0.13 1.21 -0.03 0.00 -1.71 0.00 0.00 66.02 65.35 1wir s SER 115 CO 0.14 -0.24 -0.04 -0.94 1.20 0.00 0.00 173.24 173.35 1wir s SER 116 N 0.21 4.83 0.00 5.45 1.04 -1.26 -5.03 113.70 118.94 1wir s SER 116 Ca -0.01 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1wir s SER 116 Cb -0.04 -1.34 0.00 0.00 0.10 0.00 0.00 66.02 64.74 1wir s SER 116 CO 0.01 0.34 0.00 0.61 0.98 0.00 0.00 173.24 175.18 1wir n GLY 117 N 2.38 -0.90 3.75 7.32 0.00 -1.26 -5.17 105.19 111.31 1wir n GLY 117 Ca -0.18 0.73 -0.31 0.00 0.00 0.00 0.00 46.02 46.27 1wir n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wir s PRO 118 N 0.00 1.92 -0.28 1.61 0.04 -1.26 -5.08 135.00 131.95 1wir s PRO 118 Ca 0.00 1.05 -0.24 0.00 0.04 0.00 0.00 61.00 61.85 1wir s PRO 118 Cb 0.00 -1.87 0.10 0.00 0.04 0.00 0.00 34.50 32.77 1wir s PRO 118 CO 0.00 -1.85 0.89 -1.54 0.04 0.00 0.00 177.00 174.55 1wir s SER 119 N -3.40 -0.59 -0.26 6.66 1.04 -1.26 -5.17 113.70 110.71 1wir s SER 119 Ca 0.62 1.12 -0.23 0.00 0.48 0.00 0.00 55.95 57.94 1wir s SER 119 Cb -0.17 1.15 0.07 0.00 0.10 0.00 0.00 66.02 67.16 1wir s SER 119 CO 0.56 -0.19 0.68 -0.55 0.98 0.00 0.00 173.24 174.73 1wir s SER 120 N 0.39 -0.74 0.00 7.02 0.15 -1.26 -5.37 113.70 113.89 1wir s SER 120 Ca 0.01 1.39 0.00 0.00 0.70 0.00 0.00 55.95 58.05 1wir s SER 120 Cb -0.05 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.65 1wir s SER 120 CO -0.04 -0.24 0.48 0.61 1.20 0.00 0.00 173.24 175.25