#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wir n SER 2 N 0.00 -4.58 -3.18 1.61 2.88 -1.26 -4.95 113.62 104.14 1wir n SER 2 Ca 0.00 -0.69 -0.07 0.00 -1.33 0.00 0.00 58.87 56.78 1wir n SER 2 Cb 0.00 -4.41 0.02 0.00 -0.75 0.00 0.00 64.21 59.06 1wir n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wir s SER 3 N -3.56 -0.03 0.00 -3.46 1.04 -1.26 -5.16 113.70 101.26 1wir s SER 3 Ca 0.48 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1wir s SER 3 Cb -0.23 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1wir s SER 3 CO 0.78 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1wir n GLY 4 N -0.56 4.03 3.51 7.32 0.00 -1.26 -5.18 105.19 113.05 1wir n GLY 4 Ca -0.06 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 1wir n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wir s SER 5 N 0.00 -0.07 0.13 1.61 0.15 -1.26 -5.10 113.70 109.17 1wir s SER 5 Ca 0.00 -0.91 -0.20 0.00 0.70 0.00 0.00 55.95 55.55 1wir s SER 5 Cb 0.00 0.55 0.05 0.00 -1.71 0.00 0.00 66.02 64.91 1wir s SER 5 CO 0.00 -1.07 0.50 -0.55 1.20 0.00 0.00 173.24 173.32 1wir s SER 6 N -3.01 -0.40 -0.90 5.45 0.15 -1.26 -5.10 113.70 108.64 1wir s SER 6 Ca 0.21 -0.14 -0.24 0.00 0.70 0.00 0.00 55.95 56.48 1wir s SER 6 Cb 0.00 0.53 0.02 0.00 -1.71 0.00 0.00 66.02 64.86 1wir s SER 6 CO 0.07 -0.89 1.58 -0.83 1.20 0.00 0.00 173.24 174.36 1wir s GLY 7 N -2.72 0.83 -0.34 9.45 0.00 -1.26 -4.92 107.32 108.35 1wir s GLY 7 Ca 0.01 -1.76 0.02 0.00 0.00 0.00 0.00 44.72 43.00 1wir s GLY 7 CO -0.12 2.95 0.08 1.85 0.00 0.00 0.00 173.10 177.86 1wir s GLU 8 N 5.81 1.26 0.45 2.90 2.56 -1.26 -5.11 118.70 125.31 1wir s GLU 8 Ca 0.52 -1.67 -0.23 0.00 0.00 0.00 0.00 54.97 53.59 1wir s GLU 8 Cb -0.04 -2.82 -0.08 0.00 2.00 0.00 0.00 34.13 33.19 1wir s GLU 8 CO -0.00 -0.97 1.17 -1.25 -0.56 0.00 0.00 175.26 173.65 1wir s PRO 9 N 1.05 3.81 -0.32 4.30 0.04 -1.26 -4.96 135.00 137.67 1wir s PRO 9 Ca 0.11 1.79 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 1wir s PRO 9 Cb -0.19 -2.46 -0.01 0.00 0.04 0.00 0.00 34.50 31.88 1wir s PRO 9 CO -0.13 -0.51 0.18 0.00 0.04 0.00 0.00 177.00 176.58 1wir s ALA 10 N -1.52 3.36 -0.29 8.56 0.00 -1.26 -5.02 121.76 125.59 1wir s ALA 10 Ca 0.62 -1.38 -0.14 0.00 0.00 0.00 0.00 51.96 51.06 1wir s ALA 10 Cb -0.29 -2.48 0.13 0.00 0.00 0.00 0.00 23.12 20.48 1wir s ALA 10 CO 0.36 -0.91 0.82 -1.58 0.00 0.00 0.00 175.76 174.44 1wir s HIS 11 N 1.65 -0.92 -0.59 0.00 5.04 -1.26 -5.03 115.29 114.19 1wir s HIS 11 Ca 0.05 1.71 -0.23 0.00 -1.54 0.00 0.00 55.06 55.06 1wir s HIS 11 Cb -0.17 0.55 0.03 0.00 0.04 0.00 0.00 32.58 33.03 1wir s HIS 11 CO 0.08 -0.45 0.64 0.41 -2.34 0.00 0.00 174.74 173.08 1wir n GLY 12 N 4.56 -0.51 3.89 1.59 0.00 -1.26 -4.97 105.19 108.49 1wir n GLY 12 Ca -0.15 0.96 -0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 -3.34 0.80 -0.01 1.61 1.70 -1.26 -5.13 118.95 113.33 1wir s ARG 13 Ca 0.23 -0.51 -0.30 0.00 -0.47 0.00 0.00 55.73 54.68 1wir s ARG 13 Cb -0.03 0.23 -0.06 0.00 -0.57 0.00 0.00 34.95 34.52 1wir s ARG 13 CO 0.87 -0.37 1.64 1.14 -1.08 0.00 0.00 175.30 177.50 1wir s GLN 14 N -2.19 4.20 0.22 3.89 0.00 -1.26 -5.00 119.66 119.51 1wir s GLN 14 Ca 0.24 2.22 0.11 0.00 -0.00 0.00 0.00 55.36 57.93 1wir s GLN 14 Cb -0.01 -3.84 -0.05 0.00 0.00 0.00 0.00 33.01 29.12 1wir s GLN 14 CO 0.01 -0.79 -0.18 -1.01 0.00 0.00 0.00 175.29 173.32 1wir s HIS 15 N 3.49 2.40 -0.07 9.60 3.76 -1.26 -4.68 115.29 128.53 1wir s HIS 15 Ca 0.73 -0.31 0.01 0.00 -0.15 0.00 0.00 55.06 55.34 1wir s HIS 15 Cb -0.35 -1.13 0.02 0.00 1.11 0.00 0.00 32.58 32.22 1wir s HIS 15 CO 0.30 0.57 -0.07 -0.08 -0.85 0.00 0.00 174.74 174.62 1wir s THR 16 N -1.96 0.80 0.94 1.30 -1.32 0.73 -4.83 115.64 111.29 1wir s THR 16 Ca 0.25 -0.23 -0.12 0.00 -1.21 0.00 0.00 61.69 60.38 1wir s THR 16 Cb -0.07 -0.80 0.15 0.00 -1.51 0.00 0.00 72.50 70.27 1wir s THR 16 CO 0.13 0.30 1.09 -2.16 -2.21 0.00 0.00 174.62 171.77 1wir s PRO 17 N 1.17 0.93 0.64 7.08 0.04 -1.26 -0.93 135.00 142.68 1wir s PRO 17 Ca -0.06 0.71 -0.09 0.00 0.04 0.00 0.00 61.00 61.60 1wir s PRO 17 Cb -0.14 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1wir s PRO 17 CO -0.02 -2.43 1.00 0.00 0.04 0.00 0.00 177.00 175.59 1wir h LEU 19 N -0.39 0.30 0.07 0.00 -0.00 -1.95 -3.40 115.31 109.94 1wir h LEU 19 Ca -0.45 -0.88 -0.15 0.00 -0.00 0.00 0.00 57.88 56.40 1wir h LEU 19 Cb 1.24 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 1wir h LEU 19 CO 0.62 1.41 -0.71 -0.26 -0.00 0.00 0.00 178.44 179.50 1wir h PHE 20 N -0.54 0.27 -4.97 1.13 0.04 -1.91 -3.43 116.94 107.54 1wir h PHE 20 Ca -0.19 -0.20 -0.28 0.00 2.80 0.00 0.00 57.97 60.10 1wir h PHE 20 Cb 1.52 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.64 1wir h PHE 20 CO 0.18 1.28 -0.12 0.00 -0.60 0.00 0.00 178.31 179.05 1wir n ASP 22 N -2.04 6.20 -4.67 0.00 -0.08 -1.26 -3.51 116.55 111.19 1wir n ASP 22 Ca 0.00 -3.77 -0.39 0.00 -1.51 0.00 0.00 54.79 49.12 1wir n ASP 22 Cb 0.31 -0.69 -0.07 0.00 2.34 0.00 0.00 41.12 43.01 1wir n ASP 22 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1wir s ARG 23 N -3.74 4.20 0.10 -0.67 0.52 -1.26 -4.76 118.95 113.33 1wir s ARG 23 Ca 0.55 0.39 -0.24 0.00 -0.52 0.00 0.00 55.73 55.90 1wir s ARG 23 Cb 0.44 -3.54 -0.07 0.00 0.52 0.00 0.00 34.95 32.30 1wir s ARG 23 CO -0.10 -0.10 0.75 -0.51 0.02 0.00 0.00 175.30 175.36 1wir s LEU 24 N 1.48 4.52 0.11 2.53 1.43 -1.26 -0.83 118.68 126.66 1wir s LEU 24 Ca 0.24 1.51 0.07 0.00 -1.03 0.00 0.00 54.13 54.91 1wir s LEU 24 Cb -0.15 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 1wir s LEU 24 CO 0.09 0.12 -0.16 -0.36 0.23 0.00 0.00 176.35 176.28 1wir s PHE 25 N -0.61 1.50 0.02 0.29 0.40 -0.10 -4.91 117.98 114.57 1wir s PHE 25 Ca 0.36 -0.50 -0.20 0.00 -0.60 0.00 0.00 56.93 55.99 1wir s PHE 25 Cb -0.21 -0.80 -0.18 0.00 0.51 0.00 0.00 43.02 42.34 1wir s PHE 25 CO 0.24 0.17 1.24 0.00 0.70 0.00 0.00 175.22 177.56 1wir h ALA 26 N 3.74 0.17 -3.85 5.36 0.00 -1.86 0.21 119.26 123.03 1wir h ALA 26 Ca -0.42 -0.41 -0.61 0.00 0.00 0.00 0.00 54.91 53.47 1wir h ALA 26 Cb 1.19 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.74 1wir h ALA 26 CO 0.46 0.19 -0.85 -1.54 0.00 0.00 0.00 179.25 177.51 1wir s SER 27 N -6.34 2.82 0.52 0.00 1.04 -1.26 -4.55 113.70 105.92 1wir s SER 27 Ca -0.14 -0.68 0.22 0.00 0.48 0.00 0.00 55.95 55.83 1wir s SER 27 Cb 0.04 -0.18 1.33 0.00 0.10 0.00 0.00 66.02 67.31 1wir s SER 27 CO 0.77 0.13 2.03 0.00 0.98 0.00 0.00 173.24 177.15 1wir h ALA 28 N 4.17 2.34 -0.36 5.32 0.00 -1.88 -0.67 119.26 128.18 1wir h ALA 28 Ca -0.47 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 1wir h ALA 28 Cb 1.17 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1wir h ALA 28 CO 0.40 -0.45 -0.37 0.93 0.00 0.00 0.00 179.25 179.76 1wir h GLU 29 N 0.04 0.86 -0.49 0.00 3.07 -1.95 -2.69 114.58 113.42 1wir h GLU 29 Ca 0.19 -0.43 0.04 0.00 -0.50 0.00 0.00 59.36 58.66 1wir h GLU 29 Cb 0.73 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.62 1wir h GLU 29 CO -0.01 1.08 0.32 0.93 -1.40 0.00 0.00 179.01 179.93 1wir h GLU 30 N 0.71 0.50 0.32 2.33 4.39 -1.53 -2.73 114.58 118.57 1wir h GLU 30 Ca 0.06 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1wir h GLU 30 Cb 0.94 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1wir h GLU 30 CO 0.09 0.33 -0.15 1.15 -1.16 0.00 0.00 179.01 179.27 1wir h THR 31 N 0.52 0.13 -0.95 1.13 2.02 -1.41 -3.05 112.91 111.29 1wir h THR 31 Ca 0.20 -0.74 0.09 0.00 0.77 0.00 0.00 66.41 66.73 1wir h THR 31 Cb 0.15 0.22 -0.11 0.00 -1.74 0.00 0.00 68.15 66.67 1wir h THR 31 CO -0.05 0.03 -0.56 0.49 0.37 0.00 0.00 175.52 175.80 1wir n PHE 32 N -5.06 -0.42 -0.18 3.16 3.72 -1.03 -0.13 117.46 117.52 1wir n PHE 32 Ca -0.06 1.19 -0.01 0.00 -0.05 0.00 0.00 57.45 58.52 1wir n PHE 32 Cb 0.20 -0.58 0.06 0.00 -0.94 0.00 0.00 39.48 38.22 1wir n PHE 32 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1wir h SER 33 N 0.00 -0.40 -0.66 4.37 4.64 -1.62 -0.14 113.55 119.73 1wir h SER 33 Ca 0.15 0.15 0.12 0.00 -0.47 0.00 0.00 61.79 61.75 1wir h SER 33 Cb 0.39 0.30 -0.09 0.00 -0.31 0.00 0.00 62.40 62.69 1wir h SER 33 CO -0.90 -0.15 0.19 -0.74 -0.87 0.00 0.00 176.83 174.36 1wir h HIS 34 N 0.04 0.31 0.00 4.77 -0.00 -0.41 0.26 115.15 120.14 1wir h HIS 34 Ca 0.28 0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.64 1wir h HIS 34 Cb 0.43 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 1wir h HIS 34 CO -0.41 0.00 -0.21 0.00 -0.00 0.00 0.00 177.93 177.31 1wir h LYS 36 N 0.00 0.00 0.06 0.00 1.57 0.67 1.55 116.57 120.42 1wir h LYS 36 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.42 1wir h LYS 36 Cb 0.47 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 1wir h LYS 36 CO 0.03 0.14 -2.00 1.28 -0.57 0.00 0.00 179.45 178.32 1wir n LEU 37 N -3.16 2.47 -0.04 2.94 4.77 -0.45 -3.70 117.00 119.82 1wir n LEU 37 Ca 0.03 0.20 -0.04 0.00 -0.03 0.00 0.00 56.01 56.17 1wir n LEU 37 Cb 0.53 -1.01 -0.01 0.00 -2.33 0.00 0.00 43.42 40.60 1wir n LEU 37 CO 0.34 0.72 -0.27 -0.62 -1.33 0.00 0.00 177.39 176.23 1wir n GLU 38 N -3.73 0.28 0.00 3.23 -0.58 0.05 -4.34 120.64 115.54 1wir n GLU 38 Ca -0.38 0.30 0.07 0.00 -0.42 0.00 0.00 57.16 56.74 1wir n GLU 38 Cb 0.94 -1.20 0.41 0.00 -0.57 0.00 0.00 31.44 31.02 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 -3.62 0.00 -2.63 -0.32 8.25 -0.06 -4.83 115.22 112.01 1wir n HIS 39 Ca -0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.28 1wir n HIS 39 Cb 0.21 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 1wir n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wir n GLN 40 N -0.79 -1.77 -3.97 -0.41 10.64 0.51 -4.82 117.38 116.77 1wir n GLN 40 Ca 0.10 0.04 -0.34 0.00 -1.83 0.00 0.00 57.00 54.97 1wir n GLN 40 Cb 0.05 -3.28 -0.15 0.00 -0.86 0.00 0.00 30.24 26.00 1wir n GLN 40 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 1wir s PHE 41 N -1.90 2.94 -0.16 2.61 2.19 0.26 -4.88 117.98 119.03 1wir s PHE 41 Ca 0.24 -1.23 -0.13 0.00 0.33 0.00 0.00 56.93 56.14 1wir s PHE 41 Cb -0.14 -2.05 -0.05 0.00 -1.31 0.00 0.00 43.02 39.47 1wir s PHE 41 CO 0.29 -0.65 0.26 -0.80 1.83 0.00 0.00 175.22 176.15 1wir s ASN 42 N 1.40 6.40 0.04 6.13 -0.87 -1.26 -3.55 114.94 123.23 1wir s ASN 42 Ca 0.05 0.47 -0.17 0.00 -1.57 0.00 0.00 52.86 51.63 1wir s ASN 42 Cb -0.14 -2.16 -0.19 0.00 -0.02 0.00 0.00 41.25 38.73 1wir s ASN 42 CO -0.06 0.14 1.21 -0.29 -2.57 0.00 0.00 177.10 175.52 1wir h ILE 43 N 4.62 1.36 -0.27 0.60 6.09 -1.99 -3.27 117.51 124.64 1wir h ILE 43 Ca -0.42 -1.93 0.06 0.00 -1.37 0.00 0.00 64.86 61.20 1wir h ILE 43 Cb 1.17 2.27 -0.07 0.00 0.47 0.00 0.00 36.82 40.66 1wir h ILE 43 CO 0.74 0.58 -0.17 0.44 -3.07 0.00 0.00 178.15 176.67 1wir h ASP 44 N 0.14 -0.57 -1.00 2.19 3.32 -2.00 -0.59 116.42 117.90 1wir h ASP 44 Ca -0.05 0.12 0.22 0.00 0.02 0.00 0.00 57.03 57.34 1wir h ASP 44 Cb 1.26 0.29 -0.11 0.00 0.22 0.00 0.00 39.33 40.99 1wir h ASP 44 CO 0.12 -0.21 0.62 0.28 -1.72 0.00 0.00 179.24 178.33 1wir h SER 45 N -0.15 0.67 -0.31 6.45 0.02 -2.00 0.31 113.55 118.54 1wir h SER 45 Ca 0.15 0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.15 1wir h SER 45 Cb 0.37 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1wir h SER 45 CO -0.36 0.18 0.01 0.24 -1.14 0.00 0.00 176.83 175.76 1wir h MET 46 N 0.62 0.53 -0.86 3.45 2.86 -1.19 0.31 114.93 120.65 1wir h MET 46 Ca 0.60 -0.16 0.12 0.00 -2.06 0.00 0.00 59.70 58.19 1wir h MET 46 Cb 1.13 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.67 1wir h MET 46 CO -0.38 0.67 0.56 0.28 1.06 0.00 0.00 176.91 179.09 1wir h VAL 47 N 0.33 0.90 0.09 -2.22 2.07 -0.19 -1.66 116.25 115.57 1wir h VAL 47 Ca 0.09 -0.26 -0.30 0.00 0.82 0.00 0.00 66.70 67.06 1wir h VAL 47 Cb 0.42 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1wir h VAL 47 CO 0.01 0.14 -1.51 0.45 0.02 0.00 0.00 177.57 176.68 1wir h HIS 48 N 0.75 0.34 0.07 1.57 3.86 -1.21 0.18 115.15 120.72 1wir h HIS 48 Ca 0.41 -0.25 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1wir h HIS 48 Cb 0.56 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 1wir h HIS 48 CO -0.00 1.30 -0.05 -0.22 0.86 0.00 0.00 177.93 179.82 1wir h LYS 49 N 0.05 -0.12 -0.88 2.45 3.64 0.49 -3.08 116.57 119.12 1wir h LYS 49 Ca -0.23 0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 58.88 1wir h LYS 49 Cb 1.99 0.03 -0.16 0.00 -0.41 0.00 0.00 32.23 33.67 1wir h LYS 49 CO 0.14 -0.08 0.35 0.72 -2.27 0.00 0.00 179.45 178.31 1wir n HIS 50 N -2.54 2.22 -4.05 1.91 8.25 -0.74 -4.93 115.22 115.34 1wir n HIS 50 Ca -0.01 -1.24 -0.41 0.00 -0.26 0.00 0.00 57.72 55.79 1wir n HIS 50 Cb 0.05 -0.69 0.01 0.00 1.12 0.00 0.00 29.99 30.49 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 -0.37 -0.69 3.56 -1.41 0.00 -0.89 -4.70 105.19 100.69 1wir n GLY 51 Ca 0.40 0.28 -0.23 0.00 0.00 0.00 0.00 46.02 46.46 1wir n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wir s LEU 52 N -7.17 3.08 1.24 0.99 1.43 0.59 -4.93 118.68 113.91 1wir s LEU 52 Ca 0.41 -0.45 -0.18 0.00 -1.03 0.00 0.00 54.13 52.88 1wir s LEU 52 Cb -0.23 -2.56 0.27 0.00 0.03 0.00 0.00 46.19 43.70 1wir s LEU 52 CO 0.85 -3.06 0.61 -0.62 0.23 0.00 0.00 176.35 174.35 1wir n GLU 53 N 8.85 -3.25 -0.30 1.70 4.71 -1.26 -3.60 120.64 127.48 1wir n GLU 53 Ca 0.42 -0.95 -0.02 0.00 -0.01 0.00 0.00 57.16 56.59 1wir n GLU 53 Cb 0.46 -1.80 0.01 0.00 -1.01 0.00 0.00 31.44 29.10 1wir n GLU 53 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1wir n PHE 54 N -5.09 -0.04 -0.00 -0.32 -0.00 -1.26 -0.50 117.46 110.25 1wir n PHE 54 Ca 0.07 0.94 -0.17 0.00 -0.00 0.00 0.00 57.45 58.29 1wir n PHE 54 Cb 0.52 -0.74 -0.12 0.00 -0.00 0.00 0.00 39.48 39.13 1wir n PHE 54 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 1wir h TYR 55 N 0.00 0.41 -0.93 -5.13 0.05 -2.00 -3.34 116.97 106.04 1wir h TYR 55 Ca 0.24 -0.25 0.16 0.00 0.05 0.00 0.00 58.73 58.93 1wir h TYR 55 Cb 0.43 -0.04 -0.16 0.00 1.01 0.00 0.00 36.73 37.97 1wir h TYR 55 CO -0.69 1.11 -0.32 0.41 -1.05 0.00 0.00 178.16 177.62 1wir n GLY 56 N 1.28 -1.79 0.25 3.88 0.00 0.34 -0.16 105.19 109.00 1wir n GLY 56 Ca -0.11 1.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.83 1wir n GLY 56 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1wir h TYR 57 N 0.00 -0.56 -0.85 1.61 3.20 -1.22 -2.08 116.97 117.07 1wir h TYR 57 Ca 0.37 0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.46 1wir h TYR 57 Cb 0.60 0.26 -0.16 0.00 1.54 0.00 0.00 36.73 38.97 1wir h TYR 57 CO -0.78 -0.29 -0.05 0.82 -1.64 0.00 0.00 178.16 176.22 1wir h ILE 58 N -0.29 0.19 -0.55 1.81 2.04 -0.67 0.86 117.51 120.91 1wir h ILE 58 Ca 0.09 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.94 1wir h ILE 58 Cb 0.42 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1wir h ILE 58 CO -0.26 0.01 0.36 0.11 0.00 0.00 0.00 178.15 178.38 1wir h LYS 59 N 0.05 0.70 -0.17 2.37 1.57 -0.96 -2.33 116.57 117.79 1wir h LYS 59 Ca 0.46 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1wir h LYS 59 Cb 0.83 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1wir h LYS 59 CO -0.80 0.46 0.09 1.25 -0.57 0.00 0.00 179.45 179.88 1wir h LEU 60 N 0.72 0.21 0.28 2.94 7.12 0.11 0.30 115.31 126.99 1wir h LEU 60 Ca 0.21 -0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.12 1wir h LEU 60 Cb -0.04 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.04 1wir h LEU 60 CO -0.05 0.23 -0.13 0.40 -0.13 0.00 0.00 178.44 178.76 1wir h ILE 61 N 0.17 0.00 -0.96 4.05 1.08 -0.94 -3.00 117.51 117.91 1wir h ILE 61 Ca 0.06 -0.01 0.17 0.00 -0.39 0.00 0.00 64.86 64.69 1wir h ILE 61 Cb 0.07 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.73 1wir h ILE 61 CO -0.01 0.00 0.61 0.78 -0.69 0.00 0.00 178.15 178.84 1wir h ASN 62 N -0.39 0.70 -0.67 1.72 2.35 -1.50 -1.58 115.58 116.21 1wir h ASN 62 Ca -0.04 0.06 0.13 0.00 -0.55 0.00 0.00 56.30 55.91 1wir h ASN 62 Cb 0.29 -0.07 -0.13 0.00 0.05 0.00 0.00 38.32 38.46 1wir h ASN 62 CO 0.06 0.30 -0.19 0.15 -1.65 0.00 0.00 177.43 176.10 1wir h PHE 63 N 0.71 -0.44 -0.04 1.19 3.57 -0.30 0.42 116.94 122.05 1wir h PHE 63 Ca 0.52 0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.99 1wir h PHE 63 Cb 0.86 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 1wir h PHE 63 CO -0.00 -0.31 -0.40 0.82 -2.23 0.00 0.00 178.31 176.19 1wir h ILE 64 N -0.02 1.30 -0.50 1.41 2.04 -1.16 0.15 117.51 120.73 1wir h ILE 64 Ca 0.32 -1.43 -0.09 0.00 1.00 0.00 0.00 64.86 64.66 1wir h ILE 64 Cb 0.51 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1wir h ILE 64 CO -0.70 0.42 -0.05 0.03 0.00 0.00 0.00 178.15 177.84 1wir h ARG 65 N 0.07 0.88 0.00 2.37 2.47 -0.04 0.30 114.38 120.42 1wir h ARG 65 Ca 0.00 -0.28 -0.04 0.00 -1.26 0.00 0.00 59.98 58.41 1wir h ARG 65 Cb 0.74 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.98 1wir h ARG 65 CO 0.06 0.91 -0.40 1.25 0.56 0.00 0.00 179.97 182.34 1wir h LEU 66 N 0.80 0.00 0.56 3.04 6.46 -0.67 -3.41 115.31 122.10 1wir h LEU 66 Ca 0.14 -0.20 -0.03 0.00 -0.12 0.00 0.00 57.88 57.68 1wir h LEU 66 Cb 0.55 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1wir h LEU 66 CO 0.03 0.81 -0.27 0.11 -0.62 0.00 0.00 178.44 178.51 1wir h LYS 67 N -1.00 -0.72 -2.84 1.25 1.79 -0.82 -3.48 116.57 110.75 1wir h LYS 67 Ca -0.05 0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.36 1wir h LYS 67 Cb 0.52 0.16 0.05 0.00 -1.58 0.00 0.00 32.23 31.38 1wir h LYS 67 CO -0.03 -0.42 -0.22 -1.71 -1.08 0.00 0.00 179.45 175.99 1wir n ASN 68 N -5.30 -2.48 -2.90 0.86 4.05 0.11 -5.03 115.26 104.57 1wir n ASN 68 Ca -0.11 -0.17 0.00 0.00 0.45 0.00 0.00 54.58 54.75 1wir n ASN 68 Cb 0.33 -1.85 0.00 0.00 1.23 0.00 0.00 39.78 39.49 1wir n ASN 68 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1wir n PRO 69 N -1.89 -0.24 -4.39 1.20 -0.04 -1.26 -5.08 135.00 123.30 1wir n PRO 69 Ca -0.05 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.12 1wir n PRO 69 Cb 0.54 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.62 2.31 0.20 0.52 -1.32 -1.26 -4.92 115.64 110.56 1wir s THR 70 Ca 0.00 -1.79 -0.22 0.00 -1.21 0.00 0.00 61.69 58.48 1wir s THR 70 Cb 0.00 -2.04 0.13 0.00 -1.51 0.00 0.00 72.50 69.09 1wir s THR 70 CO 0.00 0.06 1.56 0.58 -2.21 0.00 0.00 174.62 174.61 1wir h VAL 71 N 3.76 0.05 -0.99 5.08 2.07 -1.98 0.17 116.25 124.41 1wir h VAL 71 Ca -0.50 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.22 1wir h VAL 71 Cb 1.18 0.05 -0.19 0.00 -1.52 0.00 0.00 31.29 30.81 1wir h VAL 71 CO 0.41 0.00 -0.23 -0.33 0.02 0.00 0.00 177.57 177.44 1wir h GLU 72 N -0.08 0.00 0.38 1.57 5.08 -1.96 0.97 114.58 120.53 1wir h GLU 72 Ca 0.27 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 1wir h GLU 72 Cb 0.56 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1wir h GLU 72 CO -0.86 0.00 -0.18 -0.92 -1.00 0.00 0.00 179.01 176.05 1wir h TYR 73 N 0.00 -0.47 -1.51 4.33 3.20 -1.03 -2.61 116.97 118.88 1wir h TYR 73 Ca 0.48 -0.01 0.47 0.00 3.14 0.00 0.00 58.73 62.82 1wir h TYR 73 Cb 0.76 0.15 -0.11 0.00 1.54 0.00 0.00 36.73 39.07 1wir h TYR 73 CO -0.74 -0.21 1.03 0.52 -1.64 0.00 0.00 178.16 177.12 1wir h MET 74 N -0.64 0.05 0.05 1.82 2.86 -0.11 1.77 114.93 120.72 1wir h MET 74 Ca -0.05 -0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.35 1wir h MET 74 Cb 0.47 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 1wir h MET 74 CO 0.08 0.03 -1.04 -0.91 1.06 0.00 0.00 176.91 176.14 1wir h ASN 75 N 0.05 0.37 -2.79 1.22 2.35 -1.01 -3.36 115.58 112.41 1wir h ASN 75 Ca 0.84 -0.34 -0.81 0.00 -0.55 0.00 0.00 56.30 55.44 1wir h ASN 75 Cb 2.94 -0.12 -0.27 0.00 0.05 0.00 0.00 38.32 40.91 1wir h ASN 75 CO -0.27 1.20 0.87 -1.20 -1.65 0.00 0.00 177.43 176.38 1wir n SER 76 N -3.61 6.44 -4.46 5.81 7.64 0.60 -4.99 113.62 121.04 1wir n SER 76 Ca -0.06 -3.42 -0.32 0.00 1.01 0.00 0.00 58.87 56.09 1wir n SER 76 Cb 0.90 -1.27 -0.13 0.00 -1.01 0.00 0.00 64.21 62.70 1wir n SER 76 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wir s ILE 77 N -2.74 2.89 0.19 0.44 -1.09 -1.21 -4.89 121.20 114.78 1wir s ILE 77 Ca 0.32 -0.99 0.04 0.00 -2.23 0.00 0.00 60.65 57.79 1wir s ILE 77 Cb 0.06 -2.18 -0.05 0.00 -1.58 0.00 0.00 42.46 38.72 1wir s ILE 77 CO 0.09 0.45 -0.06 -0.31 -1.23 0.00 0.00 174.94 173.88 1wir s TYR 78 N -0.84 1.42 0.06 3.97 2.02 -1.26 -5.07 117.35 117.65 1wir s TYR 78 Ca 0.13 -0.83 -0.19 0.00 -0.37 0.00 0.00 57.07 55.81 1wir s TYR 78 Cb -0.11 -0.77 -0.07 0.00 -0.40 0.00 0.00 41.96 40.62 1wir s TYR 78 CO 0.03 0.03 0.55 1.21 -1.57 0.00 0.00 175.55 175.80 1wir s ASN 79 N -3.24 7.03 0.33 2.29 2.47 -1.26 -2.55 114.94 120.02 1wir s ASN 79 Ca 0.22 1.23 -0.28 0.00 0.42 0.00 0.00 52.86 54.45 1wir s ASN 79 Cb 0.04 -2.35 -0.10 0.00 -1.45 0.00 0.00 41.25 37.40 1wir s ASN 79 CO 0.05 0.28 1.22 -2.16 -3.72 0.00 0.00 177.10 172.76 1wir s PRO 80 N -1.09 4.37 0.66 0.43 0.04 -1.26 -5.12 135.00 133.03 1wir s PRO 80 Ca 0.28 2.02 -0.17 0.00 0.04 0.00 0.00 61.00 63.17 1wir s PRO 80 Cb -0.19 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1wir s PRO 80 CO 0.18 -0.10 1.22 0.14 0.04 0.00 0.00 177.00 178.48 1wir s VAL 81 N -1.20 2.41 -2.00 -0.36 -7.23 -1.06 -4.87 120.40 106.09 1wir s VAL 81 Ca 0.49 0.23 0.13 0.00 -1.81 0.00 0.00 61.98 61.03 1wir s VAL 81 Cb -0.36 -2.95 0.38 0.00 0.56 0.00 0.00 36.38 34.01 1wir s VAL 81 CO 0.47 -0.08 1.22 -0.81 -0.31 0.00 0.00 175.10 175.59 1wir n PRO 82 N -2.14 0.49 -0.46 4.82 -0.04 -1.26 -2.20 135.00 134.20 1wir n PRO 82 Ca 0.14 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.67 1wir n PRO 82 Cb 0.50 -1.43 0.18 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.93 0.00 -0.77 0.54 2.14 -1.26 -4.74 117.44 112.41 1wir n TRP 83 Ca 0.10 -1.27 -0.20 0.00 2.07 0.00 0.00 57.50 58.20 1wir n TRP 83 Cb 0.05 -0.21 0.10 0.00 -0.81 0.00 0.00 31.31 30.44 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 -1.14 2.00 -4.33 -2.67 -0.58 -0.94 -4.64 120.64 108.34 1wir n GLU 84 Ca 0.17 -2.21 -0.32 0.00 -0.42 0.00 0.00 57.16 54.38 1wir n GLU 84 Cb 0.69 -1.87 -0.09 0.00 -0.57 0.00 0.00 31.44 29.60 1wir n GLU 84 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1wir s LYS 85 N -2.48 2.71 -0.01 3.49 1.02 -1.26 -5.04 119.74 118.16 1wir s LYS 85 Ca 0.43 -0.65 -0.25 0.00 0.02 0.00 0.00 55.97 55.52 1wir s LYS 85 Cb 0.35 -2.61 -0.19 0.00 -0.52 0.00 0.00 37.83 34.85 1wir s LYS 85 CO 0.05 0.62 1.30 0.22 -0.92 0.00 0.00 175.35 176.61 1wir h ASP 86 N 4.38 0.05 -1.60 2.83 3.58 -2.02 -3.03 116.42 120.61 1wir h ASP 86 Ca -0.49 -0.46 0.46 0.00 0.42 0.00 0.00 57.03 56.96 1wir h ASP 86 Cb 1.17 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 42.15 1wir h ASP 86 CO 0.56 0.50 1.26 1.05 -2.88 0.00 0.00 179.24 179.73 1wir h GLU 87 N -0.41 0.00 -0.38 0.28 -0.00 -1.98 1.17 114.58 113.27 1wir h GLU 87 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.27 1wir h GLU 87 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.22 1wir h GLU 87 CO 0.00 0.00 -0.12 1.88 -0.00 0.00 0.00 179.01 180.78 1wir h TYR 88 N 0.00 0.85 -1.22 2.06 0.05 -1.92 -3.04 116.97 113.74 1wir h TYR 88 Ca 0.76 -0.19 0.41 0.00 0.05 0.00 0.00 58.73 59.76 1wir h TYR 88 Cb 3.27 -0.20 -0.11 0.00 1.01 0.00 0.00 36.73 40.70 1wir h TYR 88 CO 0.00 0.90 0.80 1.28 -1.05 0.00 0.00 178.16 180.09 1wir n LEU 89 N -4.34 0.16 -4.77 3.88 4.77 0.40 -4.32 117.00 112.79 1wir n LEU 89 Ca -0.02 1.15 -0.39 0.00 -0.03 0.00 0.00 56.01 56.73 1wir n LEU 89 Cb 0.37 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1wir n LEU 89 CO 0.43 -1.24 0.85 -0.54 -1.33 0.00 0.00 177.39 175.55 1wir s LYS 90 N -4.96 4.12 -0.48 3.23 1.02 -1.15 -4.88 119.74 116.63 1wir s LYS 90 Ca -0.06 1.87 -0.27 0.00 0.02 0.00 0.00 55.97 57.52 1wir s LYS 90 Cb 0.26 -2.74 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 1wir s LYS 90 CO 0.70 -0.27 1.78 -1.25 -0.92 0.00 0.00 175.35 175.39 1wir s PRO 91 N -2.20 3.01 0.47 -1.68 0.04 -1.26 -4.86 135.00 128.52 1wir s PRO 91 Ca 0.56 0.95 0.24 0.00 0.04 0.00 0.00 61.00 62.79 1wir s PRO 91 Cb -0.31 -4.27 1.26 0.00 0.04 0.00 0.00 34.50 31.22 1wir s PRO 91 CO 0.40 -2.26 1.87 0.28 0.04 0.00 0.00 177.00 177.33 1wir h VAL 92 N 6.80 0.62 -4.85 -0.36 2.07 -1.90 -3.42 116.25 115.21 1wir h VAL 92 Ca -0.29 -0.08 -0.34 0.00 0.82 0.00 0.00 66.70 66.81 1wir h VAL 92 Cb 1.16 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1wir h VAL 92 CO 1.13 0.04 -0.20 0.18 0.02 0.00 0.00 177.57 178.74 1wir n LEU 93 N -4.41 0.00 -4.57 2.57 4.32 -1.26 -5.08 117.00 108.57 1wir n LEU 93 Ca 0.19 -1.67 -0.34 0.00 -0.02 0.00 0.00 56.01 54.17 1wir n LEU 93 Cb 0.81 0.07 -0.11 0.00 -1.62 0.00 0.00 43.42 42.57 1wir n LEU 93 CO 0.34 -0.36 -0.37 -0.70 -1.22 0.00 0.00 177.39 175.08 1wir s GLU 94 N -3.16 2.99 -1.25 3.23 2.12 -1.26 -4.60 118.70 116.78 1wir s GLU 94 Ca 0.10 -0.53 -0.02 0.00 0.36 0.00 0.00 54.97 54.88 1wir s GLU 94 Cb -0.01 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.71 1wir s GLU 94 CO 0.06 0.56 1.03 -3.47 -0.54 0.00 0.00 175.26 172.91 1wir n ASP 95 N 2.54 -3.00 -4.72 -1.70 2.03 -1.26 -4.92 116.55 105.51 1wir n ASP 95 Ca -0.18 -0.61 -0.42 0.00 0.52 0.00 0.00 54.79 54.10 1wir n ASP 95 Cb 0.53 -5.04 -0.03 0.00 -0.72 0.00 0.00 41.12 35.86 1wir n ASP 95 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1wir s ASP 96 N -4.12 6.83 -0.03 1.67 1.11 -1.26 -4.86 116.67 116.01 1wir s ASP 96 Ca 0.14 2.35 0.14 0.00 0.18 0.00 0.00 52.55 55.36 1wir s ASP 96 Cb -0.06 -2.59 -0.21 0.00 1.07 0.00 0.00 42.92 41.12 1wir s ASP 96 CO 0.74 -0.63 0.64 0.18 1.18 0.00 0.00 175.17 177.28 1wir n LEU 97 N 3.68 0.79 0.05 1.23 4.77 -1.26 -3.78 117.00 122.47 1wir n LEU 97 Ca 0.10 0.37 -0.05 0.00 -0.03 0.00 0.00 56.01 56.41 1wir n LEU 97 Cb 0.42 0.18 0.16 0.00 -2.33 0.00 0.00 43.42 41.85 1wir n LEU 97 CO 0.58 0.34 0.60 -0.07 -1.33 0.00 0.00 177.39 177.52 1wir h LEU 98 N 0.00 0.41 -0.43 2.23 3.38 -1.92 -3.04 115.31 115.94 1wir h LEU 98 Ca -0.28 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.35 1wir h LEU 98 Cb 1.94 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 1wir h LEU 98 CO 0.07 0.79 -0.38 -0.07 0.09 0.00 0.00 178.44 178.94 1wir h LEU 99 N 0.32 0.96 -0.88 1.67 4.07 -1.98 -2.69 115.31 116.78 1wir h LEU 99 Ca 0.03 -0.43 0.00 0.00 0.08 0.00 0.00 57.88 57.55 1wir h LEU 99 Cb 0.88 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1wir h LEU 99 CO 0.07 1.22 0.00 0.00 -1.08 0.00 0.00 178.44 178.65 1wir n GLN 100 N -4.06 1.30 -2.83 1.13 10.64 -1.16 -4.86 117.38 117.55 1wir n GLN 100 Ca -0.02 -0.28 -0.40 0.00 -1.83 0.00 0.00 57.00 54.46 1wir n GLN 100 Cb 0.54 -1.38 -0.06 0.00 -0.86 0.00 0.00 30.24 28.48 1wir n GLN 100 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 1wir s PHE 101 N -1.44 3.90 -0.93 2.61 2.19 -1.02 -4.97 117.98 118.33 1wir s PHE 101 Ca 0.05 1.77 -0.24 0.00 0.33 0.00 0.00 56.93 58.84 1wir s PHE 101 Cb 0.03 -2.93 0.00 0.00 -1.31 0.00 0.00 43.02 38.82 1wir s PHE 101 CO 0.02 0.40 1.68 0.16 1.83 0.00 0.00 175.22 179.31 1wir s ASP 102 N -0.79 5.81 0.34 6.13 -4.77 -1.26 -4.78 116.67 117.35 1wir s ASP 102 Ca 0.41 -0.94 0.17 0.00 -3.30 0.00 0.00 52.55 48.89 1wir s ASP 102 Cb -0.24 -2.56 0.48 0.00 -1.09 0.00 0.00 42.92 39.51 1wir s ASP 102 CO 0.29 -2.12 1.64 1.62 0.70 0.00 0.00 175.17 177.29 1wir h VAL 103 N 6.96 0.94 -0.93 2.11 3.04 -1.94 -3.21 116.25 123.23 1wir h VAL 103 Ca 0.10 -1.80 0.17 0.00 -1.01 0.00 0.00 66.70 64.15 1wir h VAL 103 Cb 1.02 2.10 -0.10 0.00 -2.01 0.00 0.00 31.29 32.30 1wir h VAL 103 CO 1.31 0.44 0.51 -0.33 -1.01 0.00 0.00 177.57 178.49 1wir h GLU 104 N 0.00 0.65 -0.73 4.17 5.08 -1.96 0.25 114.58 122.05 1wir h GLU 104 Ca -0.00 -0.04 0.21 0.00 -1.00 0.00 0.00 59.36 58.53 1wir h GLU 104 Cb 1.06 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 1wir h GLU 104 CO 0.06 0.43 0.55 0.22 -1.00 0.00 0.00 179.01 179.27 1wir h ASP 105 N 0.67 0.00 -0.59 1.42 3.58 -1.97 0.15 116.42 119.69 1wir h ASP 105 Ca 0.53 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.90 1wir h ASP 105 Cb 0.80 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.82 1wir h ASP 105 CO -0.39 0.00 0.10 -0.07 -2.88 0.00 0.00 179.24 176.00 1wir h LEU 106 N 0.00 0.96 -8.90 2.28 3.38 -0.70 -3.41 115.31 108.92 1wir h LEU 106 Ca 0.35 -0.22 -0.58 0.00 0.09 0.00 0.00 57.88 57.52 1wir h LEU 106 Cb 1.44 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1wir h LEU 106 CO -0.00 0.96 1.26 -0.31 0.09 0.00 0.00 178.44 180.43 1wir s TYR 107 N -5.17 1.84 -0.05 1.13 2.02 0.53 -4.97 117.35 112.68 1wir s TYR 107 Ca -0.11 0.59 0.02 0.00 -0.37 0.00 0.00 57.07 57.20 1wir s TYR 107 Cb 0.15 -4.12 0.01 0.00 -0.40 0.00 0.00 41.96 37.60 1wir s TYR 107 CO 0.83 -2.99 -0.09 -1.83 -1.57 0.00 0.00 175.55 169.90 1wir s GLU 108 N 5.51 1.20 1.14 -0.62 -1.05 -1.26 -5.03 118.70 118.58 1wir s GLU 108 Ca 0.79 -0.28 -0.17 0.00 -0.15 0.00 0.00 54.97 55.16 1wir s GLU 108 Cb -0.23 -1.07 0.26 0.00 -0.44 0.00 0.00 34.13 32.65 1wir s GLU 108 CO 0.33 0.02 1.10 -1.25 0.95 0.00 0.00 175.26 176.42 1wir s PRO 109 N 0.59 -0.72 -1.12 -4.83 0.04 -1.26 -4.86 135.00 122.83 1wir s PRO 109 Ca -0.10 0.11 -0.21 0.00 0.04 0.00 0.00 61.00 60.84 1wir s PRO 109 Cb -0.13 -1.64 -0.07 0.00 0.04 0.00 0.00 34.50 32.70 1wir s PRO 109 CO 0.02 -3.42 1.92 0.28 0.04 0.00 0.00 177.00 175.84 1wir n VAL 110 N -4.58 2.41 -3.58 -0.36 0.31 -1.26 -4.79 118.33 106.48 1wir n VAL 110 Ca 0.10 -2.38 -0.07 0.00 -0.01 0.00 0.00 64.34 61.98 1wir n VAL 110 Cb 0.59 -2.28 -0.04 0.00 -0.91 0.00 0.00 33.84 31.20 1wir n VAL 110 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1wir s SER 111 N 5.38 -0.26 -0.41 4.52 0.15 -1.26 -5.13 113.70 116.69 1wir s SER 111 Ca 0.61 0.17 0.02 0.00 0.70 0.00 0.00 55.95 57.45 1wir s SER 111 Cb 0.05 0.24 0.12 0.00 -1.71 0.00 0.00 66.02 64.72 1wir s SER 111 CO 0.10 -0.33 0.18 0.42 1.20 0.00 0.00 173.24 174.81 1wir s THR 112 N -1.82 1.61 0.27 6.45 -4.23 -1.26 -4.97 115.64 111.69 1wir s THR 112 Ca 0.04 -2.37 0.05 0.00 -1.18 0.00 0.00 61.69 58.23 1wir s THR 112 Cb -0.01 -2.15 0.01 0.00 1.34 0.00 0.00 72.50 71.69 1wir s THR 112 CO -0.04 -0.78 1.65 1.55 -0.54 0.00 0.00 174.62 176.46 1wir h PRO 113 N 7.15 0.28 -4.50 3.99 0.13 -2.00 -3.38 132.00 133.68 1wir h PRO 113 Ca -0.06 -0.15 -0.73 0.00 -0.87 0.00 0.00 66.00 64.19 1wir h PRO 113 Cb 0.96 0.01 -0.21 0.00 0.13 0.00 0.00 31.00 31.88 1wir h PRO 113 CO 0.52 0.69 0.50 0.12 -0.23 0.00 0.00 178.00 179.60 1wir s PHE 114 N -4.06 3.40 -0.22 1.56 5.36 -1.26 -5.00 117.98 117.75 1wir s PHE 114 Ca -0.05 -1.65 -0.35 0.00 -0.96 0.00 0.00 56.93 53.92 1wir s PHE 114 Cb 0.13 -4.08 -0.12 0.00 -0.34 0.00 0.00 43.02 38.62 1wir s PHE 114 CO 0.79 -1.27 1.99 0.45 -1.46 0.00 0.00 175.22 175.72 1wir n SER 115 N 5.41 2.81 -4.70 6.13 2.88 -1.26 -4.77 113.62 120.11 1wir n SER 115 Ca 0.19 0.74 -0.65 0.00 -1.33 0.00 0.00 58.87 57.83 1wir n SER 115 Cb 0.48 -1.31 -0.09 0.00 -0.75 0.00 0.00 64.21 62.54 1wir n SER 115 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wir n SER 116 N 7.90 1.23 0.00 -3.46 3.41 -1.26 -4.82 113.62 116.61 1wir n SER 116 Ca 0.30 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 60.08 1wir n SER 116 Cb 0.25 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 1wir n SER 116 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wir n GLY 117 N 3.62 -1.91 3.66 5.00 0.00 -1.26 -5.14 105.19 109.17 1wir n GLY 117 Ca 0.28 0.91 -0.42 0.00 0.00 0.00 0.00 46.02 46.79 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 4.20 -0.74 1.61 0.04 -1.26 -4.95 135.00 133.90 1wir s PRO 118 Ca 0.00 2.01 -0.27 0.00 0.04 0.00 0.00 61.00 62.78 1wir s PRO 118 Cb 0.00 -3.88 0.03 0.00 0.04 0.00 0.00 34.50 30.69 1wir s PRO 118 CO 0.00 -0.78 1.29 0.45 0.04 0.00 0.00 177.00 178.00 1wir s SER 119 N 2.80 6.14 -0.03 6.66 0.15 -1.26 -4.99 113.70 123.17 1wir s SER 119 Ca 0.67 -0.43 0.07 0.00 0.70 0.00 0.00 55.95 56.97 1wir s SER 119 Cb -0.30 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.44 1wir s SER 119 CO 0.25 -1.85 -0.26 -0.55 1.20 0.00 0.00 173.24 172.03 1wir s SER 120 N 3.85 3.07 0.00 5.45 0.15 -1.26 -5.35 113.70 119.60 1wir s SER 120 Ca 0.36 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1wir s SER 120 Cb -0.08 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 1wir s SER 120 CO 0.15 0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.50