#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 7.15 0.38 1.61 0.01 -1.26 -5.03 113.70 116.56 1wir s SER 2 Ca 0.00 1.71 0.07 0.00 1.31 0.00 0.00 55.95 59.04 1wir s SER 2 Cb 0.00 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 1wir s SER 2 CO 0.00 -0.50 0.01 -0.44 0.41 0.00 0.00 173.24 172.72 1wir s SER 3 N 1.27 3.51 0.14 2.44 0.01 -1.26 -5.09 113.70 114.72 1wir s SER 3 Ca 0.53 -1.34 -0.34 0.00 1.31 0.00 0.00 55.95 56.11 1wir s SER 3 Cb -0.22 -0.32 -0.17 0.00 0.21 0.00 0.00 66.02 65.52 1wir s SER 3 CO 0.21 -0.45 1.06 0.61 0.41 0.00 0.00 173.24 175.08 1wir n GLY 4 N -0.88 -0.26 0.96 3.44 0.00 -1.26 -4.88 105.19 102.32 1wir n GLY 4 Ca -0.04 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1wir n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wir n SER 5 N 1.93 0.75 -3.97 1.61 7.64 -1.26 -5.12 113.62 115.19 1wir n SER 5 Ca 0.17 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.96 1wir n SER 5 Cb 0.21 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.33 1wir n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wir s SER 6 N -4.60 0.17 0.00 6.43 0.01 -1.26 -5.16 113.70 109.28 1wir s SER 6 Ca 0.00 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.39 1wir s SER 6 Cb 0.00 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.58 1wir s SER 6 CO 0.00 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.48 1wir n GLY 7 N -0.10 1.63 2.13 3.44 0.00 -1.26 -5.02 105.19 106.01 1wir n GLY 7 Ca -0.10 0.42 -0.08 0.00 0.00 0.00 0.00 46.02 46.25 1wir n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wir n GLU 8 N 0.00 -2.78 -2.12 1.61 -0.58 -1.26 -5.01 120.64 110.50 1wir n GLU 8 Ca 0.00 0.31 -0.34 0.00 -0.42 0.00 0.00 57.16 56.71 1wir n GLU 8 Cb 0.00 -3.76 0.01 0.00 -0.57 0.00 0.00 31.44 27.13 1wir n GLU 8 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1wir s PRO 9 N -5.10 3.20 0.94 3.49 0.04 -1.26 -5.00 135.00 131.30 1wir s PRO 9 Ca 0.13 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 1wir s PRO 9 Cb -0.06 -1.99 0.13 0.00 0.04 0.00 0.00 34.50 32.62 1wir s PRO 9 CO 0.27 -0.96 0.97 0.00 0.04 0.00 0.00 177.00 177.32 1wir n ALA 10 N -1.62 -1.31 0.01 8.56 0.00 -1.26 -4.95 120.51 119.95 1wir n ALA 10 Ca 0.11 -0.59 -0.13 0.00 0.00 0.00 0.00 53.44 52.83 1wir n ALA 10 Cb 0.51 -2.10 -0.09 0.00 0.00 0.00 0.00 19.45 17.77 1wir n ALA 10 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1wir h HIS 11 N -1.85 -0.03 0.00 0.00 2.07 -2.02 -3.50 115.15 109.81 1wir h HIS 11 Ca -0.44 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 1wir h HIS 11 Cb 1.27 0.01 0.00 0.00 2.57 0.00 0.00 27.41 31.27 1wir h HIS 11 CO 0.47 0.34 0.00 0.41 -3.07 0.00 0.00 177.93 176.08 1wir n GLY 12 N -0.08 -2.79 0.29 6.13 0.00 -1.26 -4.84 105.19 102.63 1wir n GLY 12 Ca -0.08 -1.29 0.09 0.00 0.00 0.00 0.00 46.02 44.74 1wir n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wir n ARG 13 N -1.46 1.23 -3.70 1.61 0.63 -1.26 -4.93 116.66 108.78 1wir n ARG 13 Ca 0.00 -0.60 -0.36 0.00 -0.92 0.00 0.00 57.85 55.97 1wir n ARG 13 Cb 0.00 -1.39 -0.07 0.00 0.45 0.00 0.00 32.46 31.45 1wir n ARG 13 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1wir s GLN 14 N -2.41 4.03 0.06 -0.14 0.00 -1.26 -5.09 119.66 114.85 1wir s GLN 14 Ca 0.13 -0.09 0.06 0.00 -0.00 0.00 0.00 55.36 55.46 1wir s GLN 14 Cb 0.15 -3.36 -0.03 0.00 0.00 0.00 0.00 33.01 29.77 1wir s GLN 14 CO 0.59 0.41 -0.16 -1.01 0.00 0.00 0.00 175.29 175.12 1wir s HIS 15 N 0.02 1.36 -0.13 9.60 3.76 -1.26 -4.48 115.29 124.17 1wir s HIS 15 Ca 0.12 -0.39 0.02 0.00 -0.15 0.00 0.00 55.06 54.66 1wir s HIS 15 Cb -0.12 -0.79 0.01 0.00 1.11 0.00 0.00 32.58 32.80 1wir s HIS 15 CO 0.02 0.07 -0.17 -0.08 -0.85 0.00 0.00 174.74 173.72 1wir s THR 16 N -0.99 1.71 0.92 1.30 -1.32 0.36 -4.81 115.64 112.80 1wir s THR 16 Ca 0.02 -0.76 -0.12 0.00 -1.21 0.00 0.00 61.69 59.62 1wir s THR 16 Cb -0.09 -1.55 0.14 0.00 -1.51 0.00 0.00 72.50 69.49 1wir s THR 16 CO 0.02 0.48 1.09 -2.16 -2.21 0.00 0.00 174.62 171.84 1wir s PRO 17 N 1.05 1.10 0.67 7.08 0.04 -1.26 -1.42 135.00 142.26 1wir s PRO 17 Ca -0.04 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 61.66 1wir s PRO 17 Cb -0.15 -1.80 -0.00 0.00 0.04 0.00 0.00 34.50 32.60 1wir s PRO 17 CO -0.04 -2.33 1.05 0.00 0.04 0.00 0.00 177.00 175.72 1wir h LEU 19 N -0.50 0.35 0.13 0.00 -0.00 -1.93 -3.40 115.31 109.97 1wir h LEU 19 Ca -0.45 -0.84 -0.18 0.00 -0.00 0.00 0.00 57.88 56.42 1wir h LEU 19 Cb 1.23 -0.12 0.02 0.00 -0.00 0.00 0.00 40.66 41.80 1wir h LEU 19 CO 0.63 1.62 -0.78 -0.26 -0.00 0.00 0.00 178.44 179.65 1wir h PHE 20 N -0.33 0.48 -4.78 1.13 0.04 -1.90 -3.42 116.94 108.16 1wir h PHE 20 Ca -0.31 -0.35 -0.31 0.00 2.80 0.00 0.00 57.97 59.80 1wir h PHE 20 Cb 1.74 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 39.84 1wir h PHE 20 CO 0.12 1.30 -0.18 0.00 -0.60 0.00 0.00 178.31 178.96 1wir n ASP 22 N -1.63 6.32 -4.64 0.00 9.92 -1.26 -3.62 116.55 121.63 1wir n ASP 22 Ca -0.05 -3.79 -0.37 0.00 -0.53 0.00 0.00 54.79 50.06 1wir n ASP 22 Cb 0.32 -0.80 -0.10 0.00 -0.64 0.00 0.00 41.12 39.90 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 4.03 0.23 -1.24 0.52 -1.26 -4.81 118.95 112.58 1wir s ARG 23 Ca 0.51 -0.29 -0.21 0.00 -0.52 0.00 0.00 55.73 55.22 1wir s ARG 23 Cb 0.42 -3.54 -0.08 0.00 0.52 0.00 0.00 34.95 32.28 1wir s ARG 23 CO -0.30 0.02 0.75 -0.51 0.02 0.00 0.00 175.30 175.27 1wir s LEU 24 N 1.16 4.36 -0.02 2.53 1.43 -1.26 -0.35 118.68 126.53 1wir s LEU 24 Ca 0.07 1.47 0.01 0.00 -1.03 0.00 0.00 54.13 54.65 1wir s LEU 24 Cb -0.14 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.49 1wir s LEU 24 CO 0.05 0.04 -0.03 -0.36 0.23 0.00 0.00 176.35 176.28 1wir s PHE 25 N -1.50 0.38 0.20 0.29 0.40 -0.51 -4.93 117.98 112.32 1wir s PHE 25 Ca 0.43 -0.06 -0.21 0.00 -0.60 0.00 0.00 56.93 56.49 1wir s PHE 25 Cb -0.17 -0.33 0.14 0.00 0.51 0.00 0.00 43.02 43.17 1wir s PHE 25 CO 0.22 -0.06 1.57 0.00 0.70 0.00 0.00 175.22 177.65 1wir h ALA 26 N 6.53 -0.04 -0.80 5.36 0.00 -1.87 0.10 119.26 128.54 1wir h ALA 26 Ca -0.33 0.19 -0.65 0.00 0.00 0.00 0.00 54.91 54.12 1wir h ALA 26 Cb 1.17 0.90 -0.13 0.00 0.00 0.00 0.00 17.79 19.73 1wir h ALA 26 CO 0.49 -0.69 -0.53 -1.12 0.00 0.00 0.00 179.25 177.40 1wir s SER 27 N -5.23 3.88 -0.03 0.00 0.01 -1.26 -4.03 113.70 107.04 1wir s SER 27 Ca -0.14 -1.60 -0.24 0.00 1.31 0.00 0.00 55.95 55.29 1wir s SER 27 Cb 0.17 0.33 -0.17 0.00 0.21 0.00 0.00 66.02 66.56 1wir s SER 27 CO 0.69 -0.78 1.08 0.00 0.41 0.00 0.00 173.24 174.64 1wir h ALA 28 N 1.50 -0.21 -0.99 1.44 0.00 -1.89 -3.21 119.26 115.91 1wir h ALA 28 Ca -0.43 -0.22 0.33 0.00 0.00 0.00 0.00 54.91 54.58 1wir h ALA 28 Cb 1.29 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 19.01 1wir h ALA 28 CO 0.73 -0.35 0.51 0.93 0.00 0.00 0.00 179.25 181.07 1wir h GLU 29 N -0.73 0.24 -0.15 0.00 5.08 -1.97 0.19 114.58 117.24 1wir h GLU 29 Ca -0.02 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1wir h GLU 29 Cb 0.52 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1wir h GLU 29 CO 0.03 0.16 -0.19 0.93 -1.00 0.00 0.00 179.01 178.94 1wir h GLU 30 N 0.24 -0.23 0.54 2.33 4.39 -1.95 -1.89 114.58 118.02 1wir h GLU 30 Ca 0.73 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.42 1wir h GLU 30 Cb 1.70 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.39 1wir h GLU 30 CO -0.65 -0.15 -0.35 1.15 -1.16 0.00 0.00 179.01 177.85 1wir h THR 31 N -0.24 0.00 -0.93 1.13 2.02 -0.71 -1.67 112.91 112.51 1wir h THR 31 Ca 0.10 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.37 1wir h THR 31 Cb 0.39 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.69 1wir h THR 31 CO -0.29 0.00 -0.55 0.49 0.37 0.00 0.00 175.52 175.54 1wir n PHE 32 N -4.57 -0.41 -0.28 3.16 3.72 -0.98 0.70 117.46 118.79 1wir n PHE 32 Ca -0.10 1.17 0.07 0.00 -0.05 0.00 0.00 57.45 58.53 1wir n PHE 32 Cb 0.35 -0.57 0.21 0.00 -0.94 0.00 0.00 39.48 38.53 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 0.47 -0.53 4.37 0.87 -1.29 0.45 113.55 117.88 1wir h SER 33 Ca 0.15 0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1wir h SER 33 Cb 0.38 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1wir h SER 33 CO -0.88 0.19 0.34 -0.74 -0.53 0.00 0.00 176.83 175.21 1wir h HIS 34 N 0.58 0.64 0.00 2.24 -0.00 0.13 -1.62 115.15 117.12 1wir h HIS 34 Ca 0.45 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.77 1wir h HIS 34 Cb 0.65 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.83 1wir h HIS 34 CO -0.11 0.39 -0.30 0.00 -0.00 0.00 0.00 177.93 177.91 1wir h LYS 36 N 0.00 0.00 0.03 0.00 1.57 -0.07 1.87 116.57 119.97 1wir h LYS 36 Ca -0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 1wir h LYS 36 Cb 0.67 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.92 1wir h LYS 36 CO 0.04 0.20 -2.31 1.28 -0.57 0.00 0.00 179.45 178.09 1wir n LEU 37 N -3.24 2.70 -0.02 2.94 4.77 -0.75 -3.76 117.00 119.63 1wir n LEU 37 Ca 0.01 0.04 -0.01 0.00 -0.03 0.00 0.00 56.01 56.02 1wir n LEU 37 Cb 0.49 -0.95 -0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1wir n LEU 37 CO 0.34 0.83 -0.09 -0.33 -1.33 0.00 0.00 177.39 176.82 1wir h GLU 38 N -0.17 0.00 0.00 3.23 4.39 -0.81 -3.38 114.58 117.84 1wir h GLU 38 Ca -0.55 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.15 1wir h GLU 38 Cb 1.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.51 1wir h GLU 38 CO -0.10 0.00 0.00 0.72 -1.16 0.00 0.00 179.01 178.47 1wir n HIS 39 N -2.87 0.00 -4.08 4.33 8.25 -0.19 -4.85 115.22 115.81 1wir n HIS 39 Ca -0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 1wir n HIS 39 Cb 0.07 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.91 -0.76 -4.30 -0.41 10.64 0.62 -4.85 117.38 117.39 1wir n GLN 40 Ca 0.15 0.12 -0.33 0.00 -1.83 0.00 0.00 57.00 55.10 1wir n GLN 40 Cb 0.07 -3.95 -0.15 0.00 -0.86 0.00 0.00 30.24 25.35 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 -2.98 2.81 -0.16 2.61 5.36 0.07 -4.90 117.98 120.80 1wir s PHE 41 Ca 0.67 -1.20 -0.16 0.00 -0.96 0.00 0.00 56.93 55.29 1wir s PHE 41 Cb -0.39 -1.94 -0.04 0.00 -0.34 0.00 0.00 43.02 40.31 1wir s PHE 41 CO 0.87 -0.58 0.38 -0.80 -1.46 0.00 0.00 175.22 173.63 1wir s ASN 42 N 1.07 6.51 -0.06 6.13 0.01 -1.26 -3.65 114.94 123.70 1wir s ASN 42 Ca -0.00 0.61 -0.19 0.00 -0.71 0.00 0.00 52.86 52.57 1wir s ASN 42 Cb -0.14 -2.23 -0.31 0.00 0.41 0.00 0.00 41.25 38.98 1wir s ASN 42 CO -0.04 0.01 0.78 -0.29 -1.51 0.00 0.00 177.10 176.05 1wir h ILE 43 N 4.81 1.30 -0.65 0.60 6.09 -1.99 -3.32 117.51 124.34 1wir h ILE 43 Ca -0.39 -2.51 0.08 0.00 -1.37 0.00 0.00 64.86 60.67 1wir h ILE 43 Cb 1.17 3.00 -0.07 0.00 0.47 0.00 0.00 36.82 41.39 1wir h ILE 43 CO 0.75 0.73 0.30 0.44 -3.07 0.00 0.00 178.15 177.30 1wir h ASP 44 N -0.27 0.38 -0.85 2.19 3.32 -2.00 -0.78 116.42 118.41 1wir h ASP 44 Ca -0.22 0.06 0.13 0.00 0.02 0.00 0.00 57.03 57.02 1wir h ASP 44 Cb 1.77 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.25 1wir h ASP 44 CO 0.14 0.23 0.55 -1.28 -1.72 0.00 0.00 179.24 177.16 1wir h SER 45 N 0.54 0.64 -0.41 6.45 0.87 -2.00 -1.09 113.55 118.56 1wir h SER 45 Ca 0.32 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.81 1wir h SER 45 Cb 0.33 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1wir h SER 45 CO -0.26 0.35 -0.11 0.24 -0.53 0.00 0.00 176.83 176.52 1wir h MET 46 N 0.69 0.80 -0.92 2.24 2.86 -1.26 0.19 114.93 119.54 1wir h MET 46 Ca 0.41 -0.31 0.10 0.00 -2.06 0.00 0.00 59.70 57.84 1wir h MET 46 Cb 0.62 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.17 1wir h MET 46 CO -0.18 0.93 0.59 0.28 1.06 0.00 0.00 176.91 179.60 1wir h VAL 47 N 0.62 0.97 0.04 -2.22 2.07 -0.75 -1.83 116.25 115.15 1wir h VAL 47 Ca 0.10 -0.32 -0.27 0.00 0.82 0.00 0.00 66.70 67.03 1wir h VAL 47 Cb 0.64 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1wir h VAL 47 CO 0.04 0.17 -1.44 0.45 0.02 0.00 0.00 177.57 176.81 1wir h HIS 48 N 0.93 0.17 0.19 1.57 3.86 -1.33 0.34 115.15 120.88 1wir h HIS 48 Ca 0.43 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.51 1wir h HIS 48 Cb 0.41 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 1wir h HIS 48 CO -0.00 1.15 -0.18 -0.22 0.86 0.00 0.00 177.93 179.55 1wir h LYS 49 N 0.03 -0.35 -0.77 2.45 3.64 0.18 -3.09 116.57 118.66 1wir h LYS 49 Ca -0.19 0.02 -0.28 0.00 -1.27 0.00 0.00 60.65 58.93 1wir h LYS 49 Cb 1.94 0.08 -0.17 0.00 -0.41 0.00 0.00 32.23 33.67 1wir h LYS 49 CO 0.12 -0.23 0.34 0.72 -2.27 0.00 0.00 179.45 178.13 1wir n HIS 50 N -3.38 2.50 -3.96 1.91 8.25 -0.84 -4.96 115.22 114.74 1wir n HIS 50 Ca -0.04 -1.36 -0.37 0.00 -0.26 0.00 0.00 57.72 55.68 1wir n HIS 50 Cb 0.16 -0.73 0.01 0.00 1.12 0.00 0.00 29.99 30.55 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 -0.43 -1.06 3.56 -1.41 0.00 -0.81 -4.74 105.19 100.30 1wir n GLY 51 Ca 0.45 0.46 -0.29 0.00 0.00 0.00 0.00 46.02 46.63 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 -6.34 3.21 1.42 0.99 1.43 0.11 -4.93 118.68 114.57 1wir s LEU 52 Ca 0.27 -0.62 -0.23 0.00 -1.03 0.00 0.00 54.13 52.52 1wir s LEU 52 Cb -0.15 -2.56 0.36 0.00 0.03 0.00 0.00 46.19 43.87 1wir s LEU 52 CO 0.94 -2.60 0.83 -0.62 0.23 0.00 0.00 176.35 175.13 1wir n GLU 53 N 8.90 -4.51 -0.34 1.70 4.71 -1.26 -3.63 120.64 126.21 1wir n GLU 53 Ca 0.37 -1.34 -0.01 0.00 -0.01 0.00 0.00 57.16 56.17 1wir n GLU 53 Cb 0.48 -1.89 0.03 0.00 -1.01 0.00 0.00 31.44 29.05 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 -5.67 0.01 -0.01 -0.32 7.35 -1.26 -1.00 117.46 116.56 1wir n PHE 54 Ca 0.12 1.09 -0.17 0.00 -0.76 0.00 0.00 57.45 57.73 1wir n PHE 54 Cb 0.57 -0.82 -0.13 0.00 0.35 0.00 0.00 39.48 39.46 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 0.29 -0.97 -5.13 0.05 -2.00 -3.31 116.97 105.90 1wir h TYR 55 Ca 0.30 -0.19 0.14 0.00 0.05 0.00 0.00 58.73 59.03 1wir h TYR 55 Cb 0.52 -0.02 -0.15 0.00 1.01 0.00 0.00 36.73 38.09 1wir h TYR 55 CO -0.78 1.09 -0.40 0.41 -1.05 0.00 0.00 178.16 177.43 1wir n GLY 56 N 1.42 -2.06 0.14 3.88 0.00 -0.25 -0.13 105.19 108.18 1wir n GLY 56 Ca -0.11 1.10 -0.07 0.00 0.00 0.00 0.00 46.02 46.94 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 -0.09 -0.81 1.61 3.20 -1.13 -1.92 116.97 117.83 1wir h TYR 57 Ca 0.32 0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.41 1wir h TYR 57 Cb 0.56 0.08 -0.13 0.00 1.54 0.00 0.00 36.73 38.78 1wir h TYR 57 CO -0.87 -0.09 0.15 0.82 -1.64 0.00 0.00 178.16 176.53 1wir h ILE 58 N 0.04 0.37 -0.26 1.81 2.04 -0.62 0.59 117.51 121.48 1wir h ILE 58 Ca 0.14 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 1wir h ILE 58 Cb 0.21 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1wir h ILE 58 CO -0.27 0.04 -0.01 0.11 0.00 0.00 0.00 178.15 178.02 1wir h LYS 59 N 0.19 0.40 0.05 2.37 1.57 -0.75 -2.68 116.57 117.72 1wir h LYS 59 Ca 0.48 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1wir h LYS 59 Cb 0.90 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1wir h LYS 59 CO -0.63 0.43 -0.02 1.25 -0.57 0.00 0.00 179.45 179.91 1wir h LEU 60 N 0.38 -0.06 0.36 2.94 7.12 0.55 0.11 115.31 126.72 1wir h LEU 60 Ca 0.09 -0.04 -0.02 0.00 0.13 0.00 0.00 57.88 58.04 1wir h LEU 60 Cb 0.27 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 1wir h LEU 60 CO 0.01 0.00 -0.19 0.40 -0.13 0.00 0.00 178.44 178.53 1wir h ILE 61 N -0.11 0.00 -0.88 4.05 1.08 -1.21 -2.94 117.51 117.50 1wir h ILE 61 Ca -0.01 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.67 1wir h ILE 61 Cb 0.10 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.73 1wir h ILE 61 CO 0.01 0.00 0.40 0.78 -0.69 0.00 0.00 178.15 178.65 1wir h ASN 62 N -0.51 0.36 -0.58 1.72 2.35 -1.54 -1.66 115.58 115.72 1wir h ASN 62 Ca -0.05 0.14 0.07 0.00 -0.55 0.00 0.00 56.30 55.92 1wir h ASN 62 Cb 0.39 0.11 -0.10 0.00 0.05 0.00 0.00 38.32 38.77 1wir h ASN 62 CO 0.07 0.05 -0.50 0.15 -1.65 0.00 0.00 177.43 175.54 1wir h PHE 63 N 0.44 -1.53 0.00 1.19 3.57 -0.64 0.63 116.94 120.60 1wir h PHE 63 Ca 0.53 0.09 -0.02 0.00 3.53 0.00 0.00 57.97 62.11 1wir h PHE 63 Cb 0.96 0.75 -0.00 0.00 2.79 0.00 0.00 35.95 40.45 1wir h PHE 63 CO -0.13 -0.44 -0.07 0.82 -2.23 0.00 0.00 178.31 176.25 1wir h ILE 64 N -0.26 0.69 -0.11 1.41 2.04 -1.14 0.19 117.51 120.34 1wir h ILE 64 Ca 0.14 -0.29 -0.15 0.00 1.00 0.00 0.00 64.86 65.56 1wir h ILE 64 Cb 0.56 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1wir h ILE 64 CO -0.70 0.07 -0.58 0.03 0.00 0.00 0.00 178.15 176.97 1wir h ARG 65 N 0.00 0.37 0.00 2.37 2.47 0.55 -0.82 114.38 119.31 1wir h ARG 65 Ca -0.00 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 1wir h ARG 65 Cb 0.17 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1wir h ARG 65 CO 0.01 0.85 -0.42 1.25 0.56 0.00 0.00 179.97 182.21 1wir h LEU 66 N 0.28 0.00 0.56 3.04 6.46 0.16 -3.41 115.31 122.40 1wir h LEU 66 Ca -0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 1wir h LEU 66 Cb 1.10 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.04 1wir h LEU 66 CO 0.10 0.69 -0.27 0.11 -0.62 0.00 0.00 178.44 178.45 1wir h LYS 67 N -0.96 -0.73 -2.78 1.25 1.79 -0.81 -3.48 116.57 110.85 1wir h LYS 67 Ca 0.00 0.05 -0.11 0.00 -2.18 0.00 0.00 60.65 58.41 1wir h LYS 67 Cb 0.42 0.17 0.05 0.00 -1.58 0.00 0.00 32.23 31.28 1wir h LYS 67 CO 0.00 -0.44 -0.22 -1.71 -1.08 0.00 0.00 179.45 176.00 1wir n ASN 68 N -5.37 -2.62 -2.58 0.86 2.85 -0.31 -5.04 115.26 103.05 1wir n ASN 68 Ca -0.12 -0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.18 1wir n ASN 68 Cb 0.33 -1.86 0.00 0.00 1.24 0.00 0.00 39.78 39.49 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 -1.89 -0.89 -4.37 1.20 -0.04 -1.26 -5.06 135.00 122.69 1wir n PRO 69 Ca -0.04 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.12 1wir n PRO 69 Cb 0.53 0.00 -0.12 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 -0.94 2.68 0.12 0.52 -1.32 -1.26 -4.90 115.64 110.54 1wir s THR 70 Ca 0.00 -1.53 -0.23 0.00 -1.21 0.00 0.00 61.69 58.72 1wir s THR 70 Cb 0.00 -2.21 -0.05 0.00 -1.51 0.00 0.00 72.50 68.73 1wir s THR 70 CO 0.00 0.13 1.36 0.52 -2.21 0.00 0.00 174.62 174.41 1wir n VAL 71 N 0.92 -0.51 -0.27 5.08 0.31 -1.26 -0.29 118.33 122.31 1wir n VAL 71 Ca -0.16 2.11 0.02 0.00 -0.01 0.00 0.00 64.34 66.30 1wir n VAL 71 Cb 0.53 -2.64 0.07 0.00 -0.91 0.00 0.00 33.84 30.88 1wir n VAL 71 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wir n GLU 72 N -4.70 -0.11 0.01 5.55 1.02 -1.26 0.12 120.64 121.27 1wir n GLU 72 Ca 0.01 1.12 -0.11 0.00 -0.02 0.00 0.00 57.16 58.16 1wir n GLU 72 Cb 0.19 -1.66 -0.06 0.00 -0.02 0.00 0.00 31.44 29.89 1wir n GLU 72 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1wir h TYR 73 N 0.00 0.09 -0.99 -0.32 3.20 -0.99 -2.29 116.97 115.66 1wir h TYR 73 Ca 0.30 -0.00 0.25 0.00 3.14 0.00 0.00 58.73 62.42 1wir h TYR 73 Cb 0.48 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.65 1wir h TYR 73 CO -0.59 0.10 0.66 0.52 -1.64 0.00 0.00 178.16 177.21 1wir h MET 74 N 0.05 0.30 0.00 1.82 2.86 0.17 0.76 114.93 120.88 1wir h MET 74 Ca 0.02 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 1wir h MET 74 Cb 0.04 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1wir h MET 74 CO -0.00 0.20 -0.31 -0.91 1.06 0.00 0.00 176.91 176.94 1wir h ASN 75 N 0.31 0.00 -3.40 1.22 2.35 -0.62 -3.35 115.58 112.08 1wir h ASN 75 Ca 0.53 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 55.58 1wir h ASN 75 Cb 1.49 0.00 -0.36 0.00 0.05 0.00 0.00 38.32 39.50 1wir h ASN 75 CO -0.19 0.31 -0.18 -0.55 -1.65 0.00 0.00 177.43 175.18 1wir s SER 76 N -6.34 5.79 0.01 5.81 0.15 0.26 -5.04 113.70 114.33 1wir s SER 76 Ca 0.00 -3.65 0.07 0.00 0.70 0.00 0.00 55.95 53.07 1wir s SER 76 Cb 0.11 -1.87 -0.02 0.00 -1.71 0.00 0.00 66.02 62.52 1wir s SER 76 CO 0.67 -0.19 -0.20 -0.63 1.20 0.00 0.00 173.24 174.08 1wir s ILE 77 N -1.23 1.61 0.32 6.45 1.01 -1.25 -4.88 121.20 123.23 1wir s ILE 77 Ca 0.26 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.94 1wir s ILE 77 Cb -0.08 -1.37 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 1wir s ILE 77 CO -0.12 0.35 0.11 -0.31 0.00 0.00 0.00 174.94 174.97 1wir s TYR 78 N -0.61 1.72 -0.09 3.97 1.51 -1.26 -5.09 117.35 117.50 1wir s TYR 78 Ca 0.08 -1.19 -0.09 0.00 -1.01 0.00 0.00 57.07 54.85 1wir s TYR 78 Cb -0.08 -1.04 -0.04 0.00 -0.11 0.00 0.00 41.96 40.68 1wir s TYR 78 CO 0.00 -0.29 0.22 1.21 -1.11 0.00 0.00 175.55 175.58 1wir s ASN 79 N -3.43 6.51 0.53 2.29 2.47 -1.26 -2.72 114.94 119.33 1wir s ASN 79 Ca 0.34 0.61 -0.20 0.00 0.42 0.00 0.00 52.86 54.03 1wir s ASN 79 Cb 0.06 -2.12 -0.06 0.00 -1.45 0.00 0.00 41.25 37.68 1wir s ASN 79 CO 0.15 0.39 1.13 -2.16 -3.72 0.00 0.00 177.10 172.89 1wir s PRO 80 N -1.04 3.40 0.58 0.43 0.04 -1.26 -5.13 135.00 132.02 1wir s PRO 80 Ca 0.17 1.63 -0.18 0.00 0.04 0.00 0.00 61.00 62.66 1wir s PRO 80 Cb -0.13 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1wir s PRO 80 CO 0.07 -0.82 1.12 0.14 0.04 0.00 0.00 177.00 177.55 1wir s VAL 81 N -1.75 3.24 -2.00 -0.36 -7.23 -1.10 -4.90 120.40 106.30 1wir s VAL 81 Ca 0.72 0.70 0.13 0.00 -1.81 0.00 0.00 61.98 61.72 1wir s VAL 81 Cb -0.24 -3.24 0.37 0.00 0.56 0.00 0.00 36.38 33.83 1wir s VAL 81 CO 0.28 -0.24 1.20 -0.81 -0.31 0.00 0.00 175.10 175.22 1wir n PRO 82 N -1.69 0.49 -0.11 4.82 -0.04 -1.26 -2.01 135.00 135.19 1wir n PRO 82 Ca 0.11 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 1wir n PRO 82 Cb 0.51 -1.42 0.13 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.92 0.00 -0.45 0.54 2.14 -1.26 -4.77 117.44 112.73 1wir n TRP 83 Ca 0.10 -0.96 -0.08 0.00 2.07 0.00 0.00 57.50 58.63 1wir n TRP 83 Cb 0.04 -0.15 0.02 0.00 -0.81 0.00 0.00 31.31 30.42 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 -1.35 1.38 -4.32 -2.67 -0.58 -0.85 -4.78 120.64 107.47 1wir n GLU 84 Ca 0.15 -0.77 -0.31 0.00 -0.42 0.00 0.00 57.16 55.82 1wir n GLU 84 Cb 0.65 -1.30 -0.10 0.00 -0.57 0.00 0.00 31.44 30.12 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 -0.88 2.38 0.07 3.49 1.02 -1.26 -5.04 119.74 119.52 1wir s LYS 85 Ca 0.15 -0.86 -0.17 0.00 0.02 0.00 0.00 55.97 55.10 1wir s LYS 85 Cb 0.12 -2.42 -0.11 0.00 -0.52 0.00 0.00 37.83 34.90 1wir s LYS 85 CO 0.00 0.55 1.40 0.38 -0.92 0.00 0.00 175.35 176.76 1wir h ASP 86 N 3.99 0.57 -1.07 2.83 2.03 -2.03 -3.05 116.42 119.70 1wir h ASP 86 Ca -0.48 -0.46 0.29 0.00 -0.73 0.00 0.00 57.03 55.64 1wir h ASP 86 Cb 1.17 -0.16 -0.08 0.00 -0.83 0.00 0.00 39.33 39.42 1wir h ASP 86 CO 0.54 0.92 0.71 1.05 -1.03 0.00 0.00 179.24 181.43 1wir h GLU 87 N 0.24 0.27 -0.96 4.15 4.11 -1.97 0.34 114.58 120.75 1wir h GLU 87 Ca 0.04 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.47 1wir h GLU 87 Cb 0.74 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 1wir h GLU 87 CO 0.05 0.18 0.64 1.88 0.07 0.00 0.00 179.01 181.83 1wir h TYR 88 N 0.28 1.21 -1.27 2.06 0.05 -1.89 -2.25 116.97 115.16 1wir h TYR 88 Ca 0.59 0.03 0.41 0.00 0.05 0.00 0.00 58.73 59.81 1wir h TYR 88 Cb 1.71 -0.41 -0.13 0.00 1.01 0.00 0.00 36.73 38.92 1wir h TYR 88 CO -0.00 0.75 0.81 -0.07 -1.05 0.00 0.00 178.16 178.60 1wir h LEU 89 N 1.30 0.28 -9.87 3.88 3.38 -0.42 -3.40 115.31 110.45 1wir h LEU 89 Ca 0.36 0.14 -0.51 0.00 0.09 0.00 0.00 57.88 57.95 1wir h LEU 89 Cb -0.13 0.12 0.04 0.00 0.09 0.00 0.00 40.66 40.78 1wir h LEU 89 CO -0.08 -0.16 0.54 -0.54 0.09 0.00 0.00 178.44 178.29 1wir s LYS 90 N -5.34 4.37 -0.40 1.13 1.02 -0.85 -4.90 119.74 114.78 1wir s LYS 90 Ca -0.08 1.95 -0.28 0.00 0.02 0.00 0.00 55.97 57.58 1wir s LYS 90 Cb 0.29 -2.99 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1wir s LYS 90 CO 0.82 -0.08 1.73 -1.25 -0.92 0.00 0.00 175.35 175.65 1wir s PRO 91 N -1.82 3.24 0.31 -1.68 0.04 -1.26 -4.87 135.00 128.96 1wir s PRO 91 Ca 0.50 1.16 0.05 0.00 0.04 0.00 0.00 61.00 62.75 1wir s PRO 91 Cb -0.34 -4.20 0.68 0.00 0.04 0.00 0.00 34.50 30.68 1wir s PRO 91 CO 0.44 -1.98 1.84 0.28 0.04 0.00 0.00 177.00 177.63 1wir h VAL 92 N 6.75 0.86 -5.07 -0.36 2.07 -1.90 -3.43 116.25 115.17 1wir h VAL 92 Ca -0.31 -0.29 -0.27 0.00 0.82 0.00 0.00 66.70 66.65 1wir h VAL 92 Cb 1.15 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1wir h VAL 92 CO 1.08 0.16 -0.10 0.18 0.02 0.00 0.00 177.57 178.91 1wir n LEU 93 N -4.61 0.00 -4.61 2.57 4.32 -1.26 -5.10 117.00 108.30 1wir n LEU 93 Ca 0.19 -1.37 -0.34 0.00 -0.02 0.00 0.00 56.01 54.46 1wir n LEU 93 Cb 0.43 -0.09 -0.11 0.00 -1.62 0.00 0.00 43.42 42.03 1wir n LEU 93 CO 0.27 -0.49 -0.33 -0.70 -1.22 0.00 0.00 177.39 174.92 1wir s GLU 94 N -3.21 3.16 -1.24 3.23 2.12 -1.26 -4.61 118.70 116.90 1wir s GLU 94 Ca 0.21 -0.46 -0.06 0.00 0.36 0.00 0.00 54.97 55.02 1wir s GLU 94 Cb -0.02 -2.80 -0.01 0.00 0.26 0.00 0.00 34.13 31.56 1wir s GLU 94 CO 0.14 0.55 0.73 -3.47 -0.54 0.00 0.00 175.26 172.67 1wir n ASP 95 N 2.59 -2.78 -4.66 -1.70 2.03 -1.26 -4.89 116.55 105.87 1wir n ASP 95 Ca -0.18 -0.86 -0.43 0.00 0.52 0.00 0.00 54.79 53.84 1wir n ASP 95 Cb 0.53 -3.99 -0.02 0.00 -0.72 0.00 0.00 41.12 36.92 1wir n ASP 95 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wir s ASP 96 N -4.03 6.96 0.05 1.67 -1.08 -1.26 -4.85 116.67 114.12 1wir s ASP 96 Ca 0.17 1.70 -0.17 0.00 -0.52 0.00 0.00 52.55 53.73 1wir s ASP 96 Cb -0.05 -2.54 -0.19 0.00 -1.46 0.00 0.00 42.92 38.68 1wir s ASP 96 CO 0.82 -0.74 1.22 -0.07 0.52 0.00 0.00 175.17 176.91 1wir h LEU 97 N 9.57 0.71 -1.11 -1.34 3.38 -1.90 -3.22 115.31 121.40 1wir h LEU 97 Ca -0.27 -0.67 0.16 0.00 0.09 0.00 0.00 57.88 57.18 1wir h LEU 97 Cb 1.11 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.56 1wir h LEU 97 CO 0.96 1.27 0.61 -0.07 0.09 0.00 0.00 178.44 181.30 1wir h LEU 98 N 0.20 0.78 -1.59 1.67 3.38 -1.94 0.31 115.31 118.12 1wir h LEU 98 Ca -0.06 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1wir h LEU 98 Cb 1.30 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1wir h LEU 98 CO 0.13 0.36 -0.21 -0.07 0.09 0.00 0.00 178.44 178.74 1wir h LEU 99 N 0.80 0.00 -3.28 1.67 4.07 -1.96 -1.94 115.31 114.66 1wir h LEU 99 Ca 0.51 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.47 1wir h LEU 99 Cb 0.74 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.48 1wir h LEU 99 CO -0.28 0.21 0.00 0.00 -1.08 0.00 0.00 178.44 177.29 1wir n GLN 100 N -3.77 4.26 -2.53 1.13 6.02 0.10 -4.97 117.38 117.61 1wir n GLN 100 Ca -0.02 -2.97 -0.33 0.00 -0.01 0.00 0.00 57.00 53.68 1wir n GLN 100 Cb 0.32 -2.07 -0.04 0.00 1.02 0.00 0.00 30.24 29.46 1wir n GLN 100 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1wir s PHE 101 N -2.27 3.29 -0.82 1.08 5.36 -0.73 -4.98 117.98 118.91 1wir s PHE 101 Ca 0.52 1.54 -0.24 0.00 -0.96 0.00 0.00 56.93 57.79 1wir s PHE 101 Cb 0.37 -2.87 0.05 0.00 -0.34 0.00 0.00 43.02 40.23 1wir s PHE 101 CO 0.20 -0.42 1.24 -0.51 -1.46 0.00 0.00 175.22 174.28 1wir s ASP 102 N -2.57 6.30 0.23 6.13 1.11 -1.26 -4.80 116.67 121.81 1wir s ASP 102 Ca 0.62 -1.00 0.20 0.00 0.18 0.00 0.00 52.55 52.55 1wir s ASP 102 Cb -0.11 -2.52 0.04 0.00 1.07 0.00 0.00 42.92 41.41 1wir s ASP 102 CO 0.24 -1.58 1.15 1.62 1.18 0.00 0.00 175.17 177.77 1wir h VAL 103 N 6.20 0.22 -0.83 -1.27 3.04 -1.95 -3.34 116.25 118.32 1wir h VAL 103 Ca -0.11 -1.38 0.02 0.00 -1.01 0.00 0.00 66.70 64.23 1wir h VAL 103 Cb 1.04 1.84 -0.05 0.00 -2.01 0.00 0.00 31.29 32.11 1wir h VAL 103 CO 1.28 0.13 0.54 -0.33 -1.01 0.00 0.00 177.57 178.18 1wir h GLU 104 N 0.00 1.03 -1.12 4.17 4.39 -1.96 -1.57 114.58 119.52 1wir h GLU 104 Ca -0.04 -0.06 0.33 0.00 0.34 0.00 0.00 59.36 59.93 1wir h GLU 104 Cb 1.18 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 29.56 1wir h GLU 104 CO 0.02 0.68 0.81 0.22 -1.16 0.00 0.00 179.01 179.58 1wir h ASP 105 N 1.06 0.00 -0.52 1.42 3.58 -1.99 0.49 116.42 120.48 1wir h ASP 105 Ca 0.32 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.74 1wir h ASP 105 Cb -0.04 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 1wir h ASP 105 CO -0.10 0.00 0.22 -0.07 -2.88 0.00 0.00 179.24 176.42 1wir h LEU 106 N 0.00 0.73 0.00 2.28 3.38 -1.51 -3.44 115.31 116.76 1wir h LEU 106 Ca 0.53 -0.09 -0.24 0.00 0.09 0.00 0.00 57.88 58.18 1wir h LEU 106 Cb 2.14 -0.19 0.09 0.00 0.09 0.00 0.00 40.66 42.79 1wir h LEU 106 CO -0.01 0.66 0.19 -1.22 0.09 0.00 0.00 178.44 178.16 1wir n TYR 107 N -4.33 -3.83 -4.85 1.13 4.01 0.17 -5.08 117.16 104.37 1wir n TYR 107 Ca 0.05 -0.69 -0.33 0.00 -0.16 0.00 0.00 57.90 56.77 1wir n TYR 107 Cb 0.16 -0.52 -0.15 0.00 -0.31 0.00 0.00 39.34 38.52 1wir n TYR 107 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1wir s GLU 108 N -4.43 3.33 -0.70 -0.72 -1.05 -1.26 -5.04 118.70 108.83 1wir s GLU 108 Ca 0.40 -0.72 -0.26 0.00 -0.15 0.00 0.00 54.97 54.24 1wir s GLU 108 Cb -0.01 -2.58 -0.03 0.00 -0.44 0.00 0.00 34.13 31.07 1wir s GLU 108 CO 0.28 0.21 1.89 -1.25 0.95 0.00 0.00 175.26 177.33 1wir s PRO 109 N 0.35 2.60 -0.09 -4.83 0.04 -1.26 -4.78 135.00 127.03 1wir s PRO 109 Ca -0.12 0.34 0.17 0.00 0.04 0.00 0.00 61.00 61.42 1wir s PRO 109 Cb -0.16 -4.60 0.59 0.00 0.04 0.00 0.00 34.50 30.37 1wir s PRO 109 CO 0.06 -2.93 1.51 1.55 0.04 0.00 0.00 177.00 177.22 1wir n VAL 110 N 7.42 1.66 -3.73 -0.36 3.14 -1.26 -4.87 118.33 120.32 1wir n VAL 110 Ca 0.26 -1.25 -0.38 0.00 -2.96 0.00 0.00 64.34 60.01 1wir n VAL 110 Cb 0.50 0.18 -0.12 0.00 -1.06 0.00 0.00 33.84 33.35 1wir n VAL 110 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1wir s SER 111 N -1.11 5.36 -0.01 6.55 0.15 -1.26 -5.07 113.70 118.31 1wir s SER 111 Ca 0.43 -1.31 -0.01 0.00 0.70 0.00 0.00 55.95 55.76 1wir s SER 111 Cb 0.28 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 1wir s SER 111 CO 0.21 -0.39 0.02 0.42 1.20 0.00 0.00 173.24 174.70 1wir s THR 112 N 1.37 0.01 -0.02 6.45 -4.23 -1.26 -5.07 115.64 112.89 1wir s THR 112 Ca 0.00 -0.07 -0.26 0.00 -1.18 0.00 0.00 61.69 60.19 1wir s THR 112 Cb -0.21 -0.05 -0.20 0.00 1.34 0.00 0.00 72.50 73.38 1wir s THR 112 CO 0.02 -0.04 1.24 1.55 -0.54 0.00 0.00 174.62 176.85 1wir h PRO 113 N 6.01 -0.04 -6.96 3.99 0.13 -2.04 -3.46 132.00 129.62 1wir h PRO 113 Ca -0.25 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.30 1wir h PRO 113 Cb 1.21 0.01 -0.27 0.00 0.13 0.00 0.00 31.00 32.08 1wir h PRO 113 CO 0.49 0.43 -0.89 0.34 -0.23 0.00 0.00 178.00 178.15 1wir n PHE 114 N -4.88 -1.43 -3.64 1.56 7.35 -1.26 -4.90 117.46 110.26 1wir n PHE 114 Ca -0.08 0.73 -0.06 0.00 -0.76 0.00 0.00 57.45 57.27 1wir n PHE 114 Cb 0.25 -2.54 -0.07 0.00 0.35 0.00 0.00 39.48 37.47 1wir n PHE 114 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1wir s SER 115 N -3.50 -0.81 0.73 -2.13 0.15 -1.26 -5.18 113.70 101.70 1wir s SER 115 Ca 0.63 1.31 -0.05 0.00 0.70 0.00 0.00 55.95 58.54 1wir s SER 115 Cb -0.36 1.33 0.10 0.00 -1.71 0.00 0.00 66.02 65.39 1wir s SER 115 CO 0.98 -0.21 1.02 -0.94 1.20 0.00 0.00 173.24 175.29 1wir s SER 116 N 1.43 4.47 0.00 5.45 1.04 -1.26 -5.02 113.70 119.81 1wir s SER 116 Ca -0.09 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1wir s SER 116 Cb -0.05 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.44 1wir s SER 116 CO -0.17 -1.79 0.00 0.61 0.98 0.00 0.00 173.24 172.87 1wir n GLY 117 N -2.95 0.14 3.75 7.32 0.00 -1.26 -5.13 105.19 107.06 1wir n GLY 117 Ca 0.11 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 4.42 1.02 1.61 0.04 -1.26 -4.98 135.00 135.85 1wir s PRO 118 Ca 0.00 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 62.89 1wir s PRO 118 Cb 0.00 -3.17 -0.07 0.00 0.04 0.00 0.00 34.50 31.30 1wir s PRO 118 CO 0.00 -0.17 -0.65 0.43 0.04 0.00 0.00 177.00 176.65 1wir n SER 119 N 2.02 -3.47 -4.45 6.66 7.64 -1.26 -4.98 113.62 115.78 1wir n SER 119 Ca 0.04 0.07 -0.33 0.00 1.01 0.00 0.00 58.87 59.66 1wir n SER 119 Cb 0.43 -0.80 -0.13 0.00 -1.01 0.00 0.00 64.21 62.69 1wir n SER 119 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wir s SER 120 N -1.38 3.93 0.00 6.43 1.04 -1.26 -5.34 113.70 117.12 1wir s SER 120 Ca 0.45 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1wir s SER 120 Cb -0.07 -0.85 0.00 0.00 0.10 0.00 0.00 66.02 65.19 1wir s SER 120 CO 0.71 0.33 0.05 0.61 0.98 0.00 0.00 173.24 175.92