#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 0.83 0.48 1.61 0.01 -1.26 -5.13 113.70 110.25 1wir s SER 2 Ca 0.00 -0.21 -0.21 0.00 1.31 0.00 0.00 55.95 56.83 1wir s SER 2 Cb 0.00 -0.07 -0.10 0.00 0.21 0.00 0.00 66.02 66.07 1wir s SER 2 CO 0.00 0.03 0.72 -1.20 0.41 0.00 0.00 173.24 173.19 1wir n SER 3 N 2.60 -0.15 -4.57 2.44 7.64 -1.26 -4.80 113.62 115.52 1wir n SER 3 Ca -0.15 0.88 -0.35 0.00 1.01 0.00 0.00 58.87 60.26 1wir n SER 3 Cb 0.57 -1.23 -0.04 0.00 -1.01 0.00 0.00 64.21 62.51 1wir n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wir s GLY 4 N -0.99 0.85 -0.20 0.23 0.00 -1.26 -4.92 107.32 101.03 1wir s GLY 4 Ca 0.66 -2.12 0.01 0.00 0.00 0.00 0.00 44.72 43.27 1wir s GLY 4 CO 0.55 3.05 -0.11 -0.45 0.00 0.00 0.00 173.10 176.15 1wir s SER 5 N 5.99 3.48 1.04 1.64 0.15 -1.26 -5.12 113.70 119.62 1wir s SER 5 Ca 0.58 -0.93 -0.19 0.00 0.70 0.00 0.00 55.95 56.11 1wir s SER 5 Cb -0.01 -1.27 -0.02 0.00 -1.71 0.00 0.00 66.02 63.01 1wir s SER 5 CO -0.01 -0.14 -0.36 -0.24 1.20 0.00 0.00 173.24 173.68 1wir n SER 6 N 4.66 -3.01 -4.10 5.45 2.88 -1.26 -4.98 113.62 113.26 1wir n SER 6 Ca -0.15 0.06 -0.31 0.00 -1.33 0.00 0.00 58.87 57.14 1wir n SER 6 Cb 0.46 -0.89 -0.16 0.00 -0.75 0.00 0.00 64.21 62.87 1wir n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wir s GLY 7 N -1.57 1.25 -0.03 0.46 0.00 -1.26 -5.12 107.32 101.05 1wir s GLY 7 Ca 0.49 -1.02 0.07 0.00 0.00 0.00 0.00 44.72 44.26 1wir s GLY 7 CO 0.69 0.23 -0.23 1.85 0.00 0.00 0.00 173.10 175.65 1wir s GLU 8 N 1.13 2.01 -0.25 2.90 2.12 -1.26 -5.10 118.70 120.26 1wir s GLU 8 Ca -0.01 -0.82 -0.29 0.00 0.36 0.00 0.00 54.97 54.21 1wir s GLU 8 Cb -0.14 -1.86 -0.02 0.00 0.26 0.00 0.00 34.13 32.37 1wir s GLU 8 CO -0.07 0.44 1.63 -1.25 -0.54 0.00 0.00 175.26 175.47 1wir s PRO 9 N -0.39 3.71 -0.19 4.30 0.04 -1.26 -5.00 135.00 136.21 1wir s PRO 9 Ca 0.05 1.58 -0.04 0.00 0.04 0.00 0.00 61.00 62.63 1wir s PRO 9 Cb -0.10 -4.06 -0.02 0.00 0.04 0.00 0.00 34.50 30.36 1wir s PRO 9 CO 0.00 -1.39 -0.03 0.00 0.04 0.00 0.00 177.00 175.62 1wir s ALA 10 N 5.46 2.92 -0.48 8.56 0.00 -1.26 -5.07 121.76 131.89 1wir s ALA 10 Ca 0.72 -1.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.41 1wir s ALA 10 Cb -0.24 -1.68 0.03 0.00 0.00 0.00 0.00 23.12 21.23 1wir s ALA 10 CO 0.30 -0.16 0.96 -1.58 0.00 0.00 0.00 175.76 175.29 1wir s HIS 11 N 1.02 2.87 0.00 0.00 2.46 -1.26 -4.36 115.29 116.02 1wir s HIS 11 Ca 0.01 0.35 0.00 0.00 0.47 0.00 0.00 55.06 55.89 1wir s HIS 11 Cb -0.15 -4.07 0.00 0.00 -0.13 0.00 0.00 32.58 28.24 1wir s HIS 11 CO 0.01 -1.19 0.00 0.41 -2.47 0.00 0.00 174.74 171.50 1wir n GLY 12 N 4.96 0.00 3.18 1.59 0.00 -1.26 -5.17 105.19 108.49 1wir n GLY 12 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1wir n GLY 12 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wir s ARG 13 N 0.00 0.97 -0.83 1.61 6.06 -1.26 -5.10 118.95 120.40 1wir s ARG 13 Ca 0.00 -1.45 -0.21 0.00 -2.50 0.00 0.00 55.73 51.57 1wir s ARG 13 Cb 0.00 -0.02 0.10 0.00 0.06 0.00 0.00 34.95 35.09 1wir s ARG 13 CO 0.00 -0.17 1.09 1.14 -2.50 0.00 0.00 175.30 174.86 1wir s GLN 14 N -3.96 3.40 0.09 5.12 -2.07 -1.26 -5.01 119.66 115.98 1wir s GLN 14 Ca 0.21 -1.35 0.07 0.00 -1.82 0.00 0.00 55.36 52.48 1wir s GLN 14 Cb 0.07 -4.68 -0.04 0.00 -1.09 0.00 0.00 33.01 27.27 1wir s GLN 14 CO 0.01 -1.82 -0.12 -1.01 -1.32 0.00 0.00 175.29 171.02 1wir s HIS 15 N 3.41 2.68 -0.12 9.60 3.76 -1.26 -4.68 115.29 128.69 1wir s HIS 15 Ca 0.29 -0.18 0.03 0.00 -0.15 0.00 0.00 55.06 55.05 1wir s HIS 15 Cb -0.09 -1.43 0.01 0.00 1.11 0.00 0.00 32.58 32.17 1wir s HIS 15 CO -0.02 0.39 -0.22 -0.08 -0.85 0.00 0.00 174.74 173.96 1wir s THR 16 N -1.14 2.10 1.07 1.30 -1.32 -0.27 -4.82 115.64 112.54 1wir s THR 16 Ca 0.19 -0.98 -0.14 0.00 -1.21 0.00 0.00 61.69 59.55 1wir s THR 16 Cb -0.11 -1.82 0.22 0.00 -1.51 0.00 0.00 72.50 69.28 1wir s THR 16 CO 0.11 0.55 1.10 -2.16 -2.21 0.00 0.00 174.62 172.01 1wir s PRO 17 N 0.62 -0.12 0.45 7.08 0.04 -1.26 -1.33 135.00 140.48 1wir s PRO 17 Ca -0.12 0.33 -0.07 0.00 0.04 0.00 0.00 61.00 61.18 1wir s PRO 17 Cb -0.16 -1.69 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 1wir s PRO 17 CO 0.03 -3.06 0.77 0.00 0.04 0.00 0.00 177.00 174.78 1wir h LEU 19 N 0.59 0.73 0.10 0.00 -0.00 -1.94 -3.38 115.31 111.42 1wir h LEU 19 Ca -0.47 -0.93 -0.22 0.00 -0.00 0.00 0.00 57.88 56.26 1wir h LEU 19 Cb 1.20 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.62 1wir h LEU 19 CO 0.62 1.62 -1.07 -0.26 -0.00 0.00 0.00 178.44 179.36 1wir h PHE 20 N -0.01 0.40 -4.95 1.13 0.04 -1.90 -3.41 116.94 108.25 1wir h PHE 20 Ca -0.23 -0.29 -0.38 0.00 2.80 0.00 0.00 57.97 59.87 1wir h PHE 20 Cb 2.01 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 40.10 1wir h PHE 20 CO 0.15 1.42 -0.22 0.00 -0.60 0.00 0.00 178.31 179.05 1wir n ASP 22 N -1.60 6.69 -4.61 0.00 -0.08 -1.26 -3.30 116.55 112.37 1wir n ASP 22 Ca -0.06 -3.79 -0.40 0.00 -1.51 0.00 0.00 54.79 49.03 1wir n ASP 22 Cb 0.39 -0.81 -0.07 0.00 2.34 0.00 0.00 41.12 42.97 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 -3.82 4.05 0.19 -0.67 0.52 -1.26 -4.77 118.95 113.19 1wir s ARG 23 Ca 0.56 0.31 -0.26 0.00 -0.52 0.00 0.00 55.73 55.82 1wir s ARG 23 Cb 0.45 -3.66 -0.08 0.00 0.52 0.00 0.00 34.95 32.18 1wir s ARG 23 CO -0.15 -0.37 0.82 -0.51 0.02 0.00 0.00 175.30 175.11 1wir s LEU 24 N 2.33 4.59 0.33 2.53 1.43 -1.26 -1.00 118.68 127.63 1wir s LEU 24 Ca 0.21 1.72 0.03 0.00 -1.03 0.00 0.00 54.13 55.07 1wir s LEU 24 Cb -0.16 -3.41 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 1wir s LEU 24 CO 0.09 0.18 0.08 -0.36 0.23 0.00 0.00 176.35 176.57 1wir s PHE 25 N -1.19 1.85 -0.18 0.29 0.40 -0.44 -4.92 117.98 113.79 1wir s PHE 25 Ca 0.38 -1.06 -0.24 0.00 -0.60 0.00 0.00 56.93 55.41 1wir s PHE 25 Cb -0.23 -1.18 -0.21 0.00 0.51 0.00 0.00 43.02 41.90 1wir s PHE 25 CO 0.27 -0.12 0.43 0.00 0.70 0.00 0.00 175.22 176.51 1wir h ALA 26 N 2.11 0.15 -3.04 5.36 0.00 -1.85 -0.72 119.26 121.27 1wir h ALA 26 Ca -0.39 -0.89 -0.63 0.00 0.00 0.00 0.00 54.91 52.99 1wir h ALA 26 Cb 1.25 0.43 -0.18 0.00 0.00 0.00 0.00 17.79 19.29 1wir h ALA 26 CO 0.66 0.40 -0.81 -1.54 0.00 0.00 0.00 179.25 177.96 1wir s SER 27 N -6.56 3.35 0.53 0.00 1.04 -1.26 -4.47 113.70 106.33 1wir s SER 27 Ca -0.24 -0.89 0.19 0.00 0.48 0.00 0.00 55.95 55.49 1wir s SER 27 Cb 0.02 -0.25 1.35 0.00 0.10 0.00 0.00 66.02 67.25 1wir s SER 27 CO 0.62 0.09 2.13 0.00 0.98 0.00 0.00 173.24 177.06 1wir h ALA 28 N 3.10 2.04 -0.14 5.32 0.00 -1.93 -2.21 119.26 125.44 1wir h ALA 28 Ca -0.45 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1wir h ALA 28 Cb 1.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1wir h ALA 28 CO 0.50 -0.12 -0.16 0.93 0.00 0.00 0.00 179.25 180.40 1wir h GLU 29 N 0.00 0.36 -0.76 0.00 5.08 -1.97 -2.81 114.58 114.48 1wir h GLU 29 Ca 0.05 -0.19 0.15 0.00 -1.00 0.00 0.00 59.36 58.37 1wir h GLU 29 Cb 0.19 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.35 1wir h GLU 29 CO -0.00 0.75 0.27 0.93 -1.00 0.00 0.00 179.01 179.96 1wir h GLU 30 N -0.02 0.38 0.51 2.33 5.08 -1.81 -2.50 114.58 118.55 1wir h GLU 30 Ca 0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1wir h GLU 30 Cb 0.69 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.86 1wir h GLU 30 CO 0.04 0.25 -0.25 1.15 -1.00 0.00 0.00 179.01 179.20 1wir h THR 31 N 0.39 0.00 -0.71 1.13 2.02 -1.52 -2.89 112.91 111.32 1wir h THR 31 Ca 0.42 -0.11 0.06 0.00 0.77 0.00 0.00 66.41 67.56 1wir h THR 31 Cb 0.68 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.01 1wir h THR 31 CO -0.44 0.00 -0.42 0.49 0.37 0.00 0.00 175.52 175.52 1wir n PHE 32 N -4.15 -0.31 -0.21 3.16 3.72 -1.06 0.12 117.46 118.72 1wir n PHE 32 Ca -0.09 0.89 0.01 0.00 -0.05 0.00 0.00 57.45 58.21 1wir n PHE 32 Cb 0.27 -0.56 0.10 0.00 -0.94 0.00 0.00 39.48 38.35 1wir n PHE 32 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1wir h SER 33 N 0.00 -0.36 -0.55 4.37 0.02 -1.50 0.32 113.55 115.85 1wir h SER 33 Ca 0.11 0.17 0.06 0.00 -0.84 0.00 0.00 61.79 61.29 1wir h SER 33 Cb 0.29 0.31 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 1wir h SER 33 CO -0.67 -0.14 0.37 -0.74 -1.14 0.00 0.00 176.83 174.50 1wir h HIS 34 N 0.08 0.53 0.00 3.45 -0.00 0.12 0.84 115.15 120.17 1wir h HIS 34 Ca 0.33 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.67 1wir h HIS 34 Cb 0.53 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.76 1wir h HIS 34 CO -0.41 0.29 -0.21 0.00 -0.00 0.00 0.00 177.93 177.60 1wir n LYS 36 N -3.36 0.17 -0.07 0.00 5.02 0.10 0.24 118.16 120.27 1wir n LYS 36 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 1wir n LYS 36 Cb 0.43 -1.56 -0.14 0.00 -0.02 0.00 0.00 35.03 33.74 1wir n LYS 36 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1wir n LEU 37 N -1.79 1.77 -0.05 -0.35 4.77 -0.12 -3.83 117.00 117.39 1wir n LEU 37 Ca 0.03 0.10 -0.06 0.00 -0.03 0.00 0.00 56.01 56.05 1wir n LEU 37 Cb 0.40 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1wir n LEU 37 CO 0.39 0.70 -0.43 -0.62 -1.33 0.00 0.00 177.39 176.10 1wir n GLU 38 N -3.16 0.34 0.15 3.23 -0.58 -0.31 -4.66 120.64 115.66 1wir n GLU 38 Ca -0.33 0.13 0.01 0.00 -0.42 0.00 0.00 57.16 56.55 1wir n GLU 38 Cb 1.06 -1.07 0.21 0.00 -0.57 0.00 0.00 31.44 31.06 1wir n GLU 38 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1wir h HIS 39 N -0.64 0.00 -2.15 -0.32 3.86 -1.60 -3.47 115.15 110.83 1wir h HIS 39 Ca 0.00 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.99 1wir h HIS 39 Cb 0.64 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.12 1wir h HIS 39 CO -0.27 0.55 -0.31 1.04 0.86 0.00 0.00 177.93 179.79 1wir n GLN 40 N -3.64 -1.83 -3.71 2.45 1.13 0.66 -4.88 117.38 107.56 1wir n GLN 40 Ca -0.01 0.52 -0.38 0.00 -1.94 0.00 0.00 57.00 55.19 1wir n GLN 40 Cb 0.60 -4.57 -0.11 0.00 0.11 0.00 0.00 30.24 26.27 1wir n GLN 40 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1wir s PHE 41 N -2.73 3.40 -0.23 1.08 5.36 0.82 -4.86 117.98 120.81 1wir s PHE 41 Ca 0.09 -1.85 -0.26 0.00 -0.96 0.00 0.00 56.93 53.95 1wir s PHE 41 Cb -0.04 -2.89 -0.00 0.00 -0.34 0.00 0.00 43.02 39.75 1wir s PHE 41 CO 0.11 -0.88 0.88 -0.80 -1.46 0.00 0.00 175.22 173.08 1wir s ASN 42 N 1.88 6.91 0.05 6.13 0.01 -1.26 -4.14 114.94 124.52 1wir s ASN 42 Ca 0.03 1.13 -0.18 0.00 -0.71 0.00 0.00 52.86 53.13 1wir s ASN 42 Cb -0.22 -2.46 -0.16 0.00 0.41 0.00 0.00 41.25 38.81 1wir s ASN 42 CO -0.00 -0.55 1.27 -0.29 -1.51 0.00 0.00 177.10 176.02 1wir h ILE 43 N 5.42 1.36 -0.70 0.60 6.09 -1.97 -3.26 117.51 125.05 1wir h ILE 43 Ca -0.22 -1.67 0.15 0.00 -1.37 0.00 0.00 64.86 61.74 1wir h ILE 43 Cb 1.09 2.05 -0.13 0.00 0.47 0.00 0.00 36.82 40.30 1wir h ILE 43 CO 0.90 0.50 -0.11 -2.24 -3.07 0.00 0.00 178.15 174.13 1wir h ASP 44 N 0.12 -0.52 -0.74 2.19 2.03 -2.00 0.11 116.42 117.60 1wir h ASP 44 Ca -0.01 0.20 0.16 0.00 -0.73 0.00 0.00 57.03 56.65 1wir h ASP 44 Cb 1.00 0.39 -0.11 0.00 -0.83 0.00 0.00 39.33 39.78 1wir h ASP 44 CO 0.08 -0.21 0.17 -1.28 -1.03 0.00 0.00 179.24 176.97 1wir h SER 45 N 0.04 -0.01 0.72 4.15 0.87 -1.99 -2.23 113.55 115.09 1wir h SER 45 Ca 0.35 0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 61.03 1wir h SER 45 Cb 0.57 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1wir h SER 45 CO -0.68 -0.05 -0.42 0.24 -0.53 0.00 0.00 176.83 175.38 1wir h MET 46 N 0.25 -1.03 -1.24 2.24 2.86 -0.90 0.39 114.93 117.51 1wir h MET 46 Ca 0.42 0.07 0.46 0.00 -2.06 0.00 0.00 59.70 58.58 1wir h MET 46 Cb 0.72 0.23 -0.15 0.00 0.06 0.00 0.00 31.60 32.46 1wir h MET 46 CO -0.52 -0.68 0.76 0.28 1.06 0.00 0.00 176.91 177.80 1wir n VAL 47 N -5.12 -0.31 0.06 -2.22 0.31 -0.88 0.17 118.33 110.34 1wir n VAL 47 Ca -0.13 1.88 -0.16 0.00 -0.01 0.00 0.00 64.34 65.92 1wir n VAL 47 Cb 0.44 -3.07 -0.14 0.00 -0.91 0.00 0.00 33.84 30.16 1wir n VAL 47 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1wir h HIS 48 N 0.00 0.41 0.15 3.52 3.86 -1.00 -1.19 115.15 120.89 1wir h HIS 48 Ca 0.87 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 59.77 1wir h HIS 48 Cb 2.62 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 31.08 1wir h HIS 48 CO -0.01 1.33 -0.07 -0.22 0.86 0.00 0.00 177.93 179.82 1wir h LYS 49 N 0.06 -0.19 -0.90 2.45 3.11 0.61 -3.17 116.57 118.54 1wir h LYS 49 Ca -0.22 0.01 -0.17 0.00 -2.81 0.00 0.00 60.65 57.46 1wir h LYS 49 Cb 2.00 0.04 -0.10 0.00 -1.00 0.00 0.00 32.23 33.17 1wir h LYS 49 CO 0.16 -0.13 0.22 0.72 -2.81 0.00 0.00 179.45 177.61 1wir n HIS 50 N -2.57 1.52 -3.84 1.91 8.25 -0.22 -4.89 115.22 115.38 1wir n HIS 50 Ca -0.02 -0.90 -0.30 0.00 -0.26 0.00 0.00 57.72 56.23 1wir n HIS 50 Cb 0.08 -0.52 -0.07 0.00 1.12 0.00 0.00 29.99 30.61 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 -0.10 -0.25 3.47 -1.41 0.00 -0.89 -4.66 105.19 101.36 1wir n GLY 51 Ca 0.26 0.08 -0.53 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.36 2.07 -4.82 0.99 4.77 -0.50 -4.93 117.00 111.23 1wir n LEU 52 Ca 0.00 0.57 -0.30 0.00 -0.03 0.00 0.00 56.01 56.25 1wir n LEU 52 Cb 0.39 -1.21 0.18 0.00 -2.33 0.00 0.00 43.42 40.45 1wir n LEU 52 CO 0.72 -0.66 0.77 -1.61 -1.33 0.00 0.00 177.39 175.28 1wir s GLU 53 N 5.69 0.46 0.22 3.23 8.01 -1.26 -4.32 118.70 130.73 1wir s GLU 53 Ca 1.08 -0.12 -0.07 0.00 0.01 0.00 0.00 54.97 55.88 1wir s GLU 53 Cb -0.96 -1.80 0.35 0.00 -4.31 0.00 0.00 34.13 27.41 1wir s GLU 53 CO 0.54 -2.58 1.23 0.34 0.01 0.00 0.00 175.26 174.79 1wir n PHE 54 N -3.95 0.26 0.01 1.61 -0.00 -1.26 -0.39 117.46 113.74 1wir n PHE 54 Ca 0.12 0.96 -0.19 0.00 -0.00 0.00 0.00 57.45 58.34 1wir n PHE 54 Cb 0.60 -0.94 -0.14 0.00 -0.00 0.00 0.00 39.48 38.99 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 0.39 -0.84 -5.13 0.05 -2.00 -3.36 116.97 106.08 1wir h TYR 55 Ca 0.37 -0.28 0.08 0.00 0.05 0.00 0.00 58.73 58.94 1wir h TYR 55 Cb 0.57 -0.02 -0.10 0.00 1.01 0.00 0.00 36.73 38.19 1wir h TYR 55 CO -0.62 1.30 -0.49 0.41 -1.05 0.00 0.00 178.16 177.71 1wir n GLY 56 N 1.66 -2.56 0.34 3.88 0.00 0.48 -0.56 105.19 108.42 1wir n GLY 56 Ca -0.16 1.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.90 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 -0.83 -0.96 1.61 3.20 -1.41 0.84 116.97 119.42 1wir h TYR 57 Ca 0.13 0.08 0.23 0.00 3.14 0.00 0.00 58.73 62.31 1wir h TYR 57 Cb 0.34 0.47 -0.18 0.00 1.54 0.00 0.00 36.73 38.90 1wir h TYR 57 CO -0.98 -0.37 -0.10 0.82 -1.64 0.00 0.00 178.16 175.89 1wir h ILE 58 N -0.10 0.06 -0.93 1.81 2.04 -0.97 0.89 117.51 120.30 1wir h ILE 58 Ca 0.28 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.16 1wir h ILE 58 Cb 0.56 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 1wir h ILE 58 CO -0.75 0.00 0.61 0.11 0.00 0.00 0.00 178.15 178.12 1wir h LYS 59 N 0.01 1.17 -0.28 2.37 1.57 -0.62 -1.99 116.57 118.81 1wir h LYS 59 Ca 0.52 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 59.27 1wir h LYS 59 Cb 0.94 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 1wir h LYS 59 CO -0.93 0.78 0.06 1.25 -0.57 0.00 0.00 179.45 180.03 1wir h LEU 60 N 1.21 0.02 0.61 2.94 7.12 0.10 0.46 115.31 127.77 1wir h LEU 60 Ca 0.36 0.04 -0.03 0.00 0.13 0.00 0.00 57.88 58.38 1wir h LEU 60 Cb -0.06 0.06 0.01 0.00 -0.53 0.00 0.00 40.66 40.14 1wir h LEU 60 CO -0.10 0.05 -0.29 0.40 -0.13 0.00 0.00 178.44 178.36 1wir h ILE 61 N 0.17 0.00 -0.92 4.05 1.08 -0.97 -2.98 117.51 117.93 1wir h ILE 61 Ca 0.13 -0.04 0.17 0.00 -0.39 0.00 0.00 64.86 64.73 1wir h ILE 61 Cb 0.13 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.81 1wir h ILE 61 CO -0.17 0.00 0.59 0.78 -0.69 0.00 0.00 178.15 178.66 1wir h ASN 62 N -0.86 0.62 -0.46 1.72 2.35 -1.34 -1.69 115.58 115.93 1wir h ASN 62 Ca -0.08 0.05 0.09 0.00 -0.55 0.00 0.00 56.30 55.81 1wir h ASN 62 Cb 0.63 -0.07 -0.10 0.00 0.05 0.00 0.00 38.32 38.83 1wir h ASN 62 CO 0.14 0.28 -0.24 0.15 -1.65 0.00 0.00 177.43 176.11 1wir h PHE 63 N 0.64 -0.61 -0.03 1.19 3.57 0.07 0.12 116.94 121.88 1wir h PHE 63 Ca 0.48 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.94 1wir h PHE 63 Cb 0.88 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1wir h PHE 63 CO -0.00 -0.31 -0.42 0.82 -2.23 0.00 0.00 178.31 176.17 1wir h ILE 64 N -0.14 1.30 -0.16 1.41 2.04 -1.18 0.15 117.51 120.93 1wir h ILE 64 Ca 0.21 -1.46 -0.05 0.00 1.00 0.00 0.00 64.86 64.56 1wir h ILE 64 Cb 0.48 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1wir h ILE 64 CO -0.54 0.42 -0.12 0.03 0.00 0.00 0.00 178.15 177.94 1wir h ARG 65 N 0.05 0.26 0.00 2.37 2.47 -0.39 0.92 114.38 120.07 1wir h ARG 65 Ca 0.00 -0.06 -0.19 0.00 -1.26 0.00 0.00 59.98 58.48 1wir h ARG 65 Cb 0.76 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 29.02 1wir h ARG 65 CO 0.06 0.39 -1.27 -0.11 0.56 0.00 0.00 179.97 179.60 1wir n LEU 66 N -4.27 1.87 -0.04 3.04 0.00 -0.19 -4.56 117.00 112.85 1wir n LEU 66 Ca -0.01 0.46 -0.13 0.00 0.00 0.00 0.00 56.01 56.33 1wir n LEU 66 Cb 0.27 -0.89 -0.08 0.00 0.00 0.00 0.00 43.42 42.72 1wir n LEU 66 CO 0.38 0.07 0.58 0.11 0.00 0.00 0.00 177.39 178.53 1wir h LYS 67 N -1.00 0.29 -5.14 1.96 1.79 -0.77 -3.48 116.57 110.22 1wir h LYS 67 Ca -0.28 -0.17 -0.28 0.00 -2.18 0.00 0.00 60.65 57.75 1wir h LYS 67 Cb 1.11 0.01 0.15 0.00 -1.58 0.00 0.00 32.23 31.92 1wir h LYS 67 CO -0.17 0.73 -0.67 0.09 -1.08 0.00 0.00 179.45 178.34 1wir n ASN 68 N -4.59 -2.55 -2.84 0.86 3.02 0.32 -5.02 115.26 104.47 1wir n ASN 68 Ca -0.07 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 1wir n ASN 68 Cb 0.37 -4.49 0.00 0.00 -0.61 0.00 0.00 39.78 35.04 1wir n ASN 68 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1wir n PRO 69 N -3.60 -0.36 -4.46 3.52 -0.04 -1.26 -5.05 135.00 123.75 1wir n PRO 69 Ca -0.23 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.00 1wir n PRO 69 Cb 0.64 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.67 1.53 0.15 0.52 -1.32 -1.26 -4.88 115.64 109.71 1wir s THR 70 Ca 0.00 -1.26 -0.22 0.00 -1.21 0.00 0.00 61.69 59.00 1wir s THR 70 Cb 0.00 -1.37 0.02 0.00 -1.51 0.00 0.00 72.50 69.64 1wir s THR 70 CO 0.00 0.06 1.26 0.52 -2.21 0.00 0.00 174.62 174.25 1wir n VAL 71 N 1.61 -0.52 -0.33 5.08 0.31 -1.26 0.13 118.33 123.35 1wir n VAL 71 Ca -0.18 1.95 0.20 0.00 -0.01 0.00 0.00 64.34 66.29 1wir n VAL 71 Cb 0.54 -2.46 0.38 0.00 -0.91 0.00 0.00 33.84 31.39 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 0.06 0.13 5.55 5.08 -1.96 0.21 114.58 123.65 1wir h GLU 72 Ca 0.17 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1wir h GLU 72 Cb 0.38 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1wir h GLU 72 CO -0.78 0.04 -0.06 -0.92 -1.00 0.00 0.00 179.01 176.29 1wir h TYR 73 N 0.06 -0.16 -0.80 4.33 3.20 0.67 -2.92 116.97 121.33 1wir h TYR 73 Ca 0.67 -0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.77 1wir h TYR 73 Cb 1.51 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.80 1wir h TYR 73 CO -0.30 0.19 0.62 0.52 -1.64 0.00 0.00 178.16 177.56 1wir h MET 74 N -0.54 0.00 -0.03 1.82 2.86 0.22 0.49 114.93 119.75 1wir h MET 74 Ca -0.02 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 1wir h MET 74 Cb 0.43 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1wir h MET 74 CO 0.03 0.00 -0.25 -0.91 1.06 0.00 0.00 176.91 176.84 1wir h ASN 75 N 0.00 0.05 -3.76 1.22 2.35 -0.90 -3.33 115.58 111.20 1wir h ASN 75 Ca 0.38 -0.01 -0.71 0.00 -0.55 0.00 0.00 56.30 55.41 1wir h ASN 75 Cb 1.62 -0.01 -0.35 0.00 0.05 0.00 0.00 38.32 39.63 1wir h ASN 75 CO -0.00 0.30 -0.21 -0.44 -1.65 0.00 0.00 177.43 175.43 1wir s SER 76 N -6.95 5.68 0.02 5.81 0.01 0.17 -5.04 113.70 113.39 1wir s SER 76 Ca -0.04 -3.27 0.04 0.00 1.31 0.00 0.00 55.95 53.99 1wir s SER 76 Cb 0.15 -1.90 -0.02 0.00 0.21 0.00 0.00 66.02 64.46 1wir s SER 76 CO 0.72 -0.29 -0.13 -0.63 0.41 0.00 0.00 173.24 173.32 1wir s ILE 77 N -0.68 1.02 0.20 1.44 1.01 -1.25 -4.95 121.20 117.99 1wir s ILE 77 Ca 0.22 -0.76 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 1wir s ILE 77 Cb -0.13 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 1wir s ILE 77 CO -0.08 0.13 0.29 -0.31 0.00 0.00 0.00 174.94 174.96 1wir s TYR 78 N -0.58 0.65 0.08 3.97 2.02 -1.26 -5.10 117.35 117.13 1wir s TYR 78 Ca 0.03 -0.97 -0.20 0.00 -0.37 0.00 0.00 57.07 55.56 1wir s TYR 78 Cb -0.06 -0.16 -0.07 0.00 -0.40 0.00 0.00 41.96 41.27 1wir s TYR 78 CO 0.00 -0.78 0.58 0.54 -1.57 0.00 0.00 175.55 174.33 1wir s ASN 79 N -3.05 7.08 0.33 2.29 2.20 -1.26 -2.57 114.94 119.96 1wir s ASN 79 Ca 0.26 1.28 -0.28 0.00 -0.94 0.00 0.00 52.86 53.18 1wir s ASN 79 Cb 0.03 -2.37 -0.10 0.00 -2.00 0.00 0.00 41.25 36.82 1wir s ASN 79 CO 0.07 0.27 1.22 -2.16 -2.94 0.00 0.00 177.10 173.56 1wir s PRO 80 N -1.10 4.37 0.61 3.55 0.04 -1.26 -5.13 135.00 136.07 1wir s PRO 80 Ca 0.29 2.02 -0.17 0.00 0.04 0.00 0.00 61.00 63.18 1wir s PRO 80 Cb -0.20 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 1wir s PRO 80 CO 0.19 -0.11 1.12 0.14 0.04 0.00 0.00 177.00 178.39 1wir s VAL 81 N -1.20 3.19 -2.00 -0.36 -7.23 -1.06 -4.90 120.40 106.84 1wir s VAL 81 Ca 0.49 0.64 0.14 0.00 -1.81 0.00 0.00 61.98 61.44 1wir s VAL 81 Cb -0.36 -3.18 0.40 0.00 0.56 0.00 0.00 36.38 33.80 1wir s VAL 81 CO 0.47 -0.26 1.26 -0.81 -0.31 0.00 0.00 175.10 175.44 1wir n PRO 82 N -1.92 0.49 -0.30 4.82 -0.04 -1.26 -2.09 135.00 134.70 1wir n PRO 82 Ca 0.11 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.65 1wir n PRO 82 Cb 0.51 -1.45 0.15 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.95 0.00 0.01 0.54 2.14 -1.26 -4.75 117.44 113.17 1wir n TRP 83 Ca 0.11 -1.06 -0.09 0.00 2.07 0.00 0.00 57.50 58.52 1wir n TRP 83 Cb 0.05 -0.17 0.06 0.00 -0.81 0.00 0.00 31.31 30.43 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 -1.19 1.48 -4.05 -2.67 -0.58 -0.89 -4.65 120.64 108.10 1wir n GLU 84 Ca 0.15 -1.11 -0.36 0.00 -0.42 0.00 0.00 57.16 55.42 1wir n GLU 84 Cb 0.67 -1.44 -0.08 0.00 -0.57 0.00 0.00 31.44 30.03 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 -1.24 3.41 0.32 3.49 -0.14 -1.26 -5.00 119.74 119.32 1wir s LYS 85 Ca 0.21 -0.25 0.03 0.00 -1.36 0.00 0.00 55.97 54.60 1wir s LYS 85 Cb 0.18 -3.08 0.53 0.00 -1.68 0.00 0.00 37.83 33.78 1wir s LYS 85 CO 0.03 0.66 1.85 0.38 -0.76 0.00 0.00 175.35 177.51 1wir h ASP 86 N 5.38 0.57 -0.96 2.83 3.04 -2.03 -2.68 116.42 122.57 1wir h ASP 86 Ca -0.50 -0.11 0.05 0.00 -3.24 0.00 0.00 57.03 53.22 1wir h ASP 86 Cb 1.20 -0.15 -0.06 0.00 -1.04 0.00 0.00 39.33 39.29 1wir h ASP 86 CO 0.60 0.63 0.62 1.05 -2.04 0.00 0.00 179.24 180.10 1wir h GLU 87 N 0.58 1.15 -1.00 4.15 4.11 -1.98 -1.90 114.58 119.68 1wir h GLU 87 Ca 0.12 -0.07 0.16 0.00 0.07 0.00 0.00 59.36 59.65 1wir h GLU 87 Cb 0.35 -0.26 -0.10 0.00 0.50 0.00 0.00 28.75 29.24 1wir h GLU 87 CO 0.01 0.76 0.62 1.88 0.07 0.00 0.00 179.01 182.35 1wir h TYR 88 N 1.18 1.09 -1.04 2.06 0.05 -1.84 -1.22 116.97 117.27 1wir h TYR 88 Ca 0.40 0.03 0.41 0.00 0.05 0.00 0.00 58.73 59.62 1wir h TYR 88 Cb 0.06 -0.34 -0.16 0.00 1.01 0.00 0.00 36.73 37.30 1wir h TYR 88 CO -0.01 0.32 0.59 1.28 -1.05 0.00 0.00 178.16 179.29 1wir n LEU 89 N -4.70 0.30 -4.77 3.88 4.77 -0.71 -4.38 117.00 111.38 1wir n LEU 89 Ca 0.22 1.51 -0.40 0.00 -0.03 0.00 0.00 56.01 57.31 1wir n LEU 89 Cb 0.49 -0.74 -0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1wir n LEU 89 CO 0.24 -1.68 1.01 -0.54 -1.33 0.00 0.00 177.39 175.08 1wir s LYS 90 N -5.37 4.04 -0.49 3.23 1.02 -0.46 -4.84 119.74 116.86 1wir s LYS 90 Ca -0.08 2.28 -0.27 0.00 0.02 0.00 0.00 55.97 57.91 1wir s LYS 90 Cb 0.32 -2.85 -0.02 0.00 -0.52 0.00 0.00 37.83 34.76 1wir s LYS 90 CO 0.75 -0.48 1.79 -1.25 -0.92 0.00 0.00 175.35 175.24 1wir s PRO 91 N -2.15 2.98 0.36 -1.68 0.04 -1.26 -4.86 135.00 128.43 1wir s PRO 91 Ca 0.55 0.93 0.12 0.00 0.04 0.00 0.00 61.00 62.64 1wir s PRO 91 Cb -0.41 -4.28 0.93 0.00 0.04 0.00 0.00 34.50 30.79 1wir s PRO 91 CO 0.53 -2.30 1.79 0.28 0.04 0.00 0.00 177.00 177.34 1wir h VAL 92 N 6.81 0.63 -5.53 -0.36 2.07 -1.90 -3.42 116.25 114.55 1wir h VAL 92 Ca -0.29 -0.19 -0.47 0.00 0.82 0.00 0.00 66.70 66.57 1wir h VAL 92 Cb 1.16 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1wir h VAL 92 CO 1.14 0.10 -0.22 0.18 0.02 0.00 0.00 177.57 178.80 1wir n LEU 93 N -4.68 0.00 -4.69 2.57 4.32 -1.26 -5.09 117.00 108.17 1wir n LEU 93 Ca 0.23 -2.32 -0.35 0.00 -0.02 0.00 0.00 56.01 53.55 1wir n LEU 93 Cb 0.70 -0.05 -0.09 0.00 -1.62 0.00 0.00 43.42 42.37 1wir n LEU 93 CO 0.24 -0.53 -0.27 -0.70 -1.22 0.00 0.00 177.39 174.91 1wir s GLU 94 N -3.85 3.45 -1.26 3.23 2.12 -1.26 -4.51 118.70 116.62 1wir s GLU 94 Ca 0.26 -0.34 -0.02 0.00 0.36 0.00 0.00 54.97 55.23 1wir s GLU 94 Cb -0.02 -3.02 0.01 0.00 0.26 0.00 0.00 34.13 31.36 1wir s GLU 94 CO 0.17 0.55 1.00 -3.47 -0.54 0.00 0.00 175.26 172.96 1wir n ASP 95 N 2.65 -2.92 -4.65 -1.70 2.03 -1.26 -4.90 116.55 105.81 1wir n ASP 95 Ca -0.18 -0.64 -0.42 0.00 0.52 0.00 0.00 54.79 54.07 1wir n ASP 95 Cb 0.53 -4.92 -0.03 0.00 -0.72 0.00 0.00 41.12 35.99 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 -4.11 6.60 0.05 1.67 1.11 -1.26 -4.87 116.67 115.87 1wir s ASP 96 Ca 0.15 2.03 -0.13 0.00 0.18 0.00 0.00 52.55 54.78 1wir s ASP 96 Cb -0.07 -2.53 -0.31 0.00 1.07 0.00 0.00 42.92 41.08 1wir s ASP 96 CO 0.74 -1.01 1.07 -0.07 1.18 0.00 0.00 175.17 177.09 1wir h LEU 97 N 10.63 0.78 -1.82 1.23 3.38 -1.90 -3.22 115.31 124.39 1wir h LEU 97 Ca -0.37 -0.79 0.10 0.00 0.09 0.00 0.00 57.88 56.91 1wir h LEU 97 Cb 1.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1wir h LEU 97 CO 0.97 1.60 0.32 -0.07 0.09 0.00 0.00 178.44 181.35 1wir h LEU 98 N 0.19 0.18 -0.17 1.67 3.38 -1.92 -1.23 115.31 117.41 1wir h LEU 98 Ca -0.21 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.58 1wir h LEU 98 Cb 2.03 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 42.75 1wir h LEU 98 CO 0.25 0.11 -0.63 -0.07 0.09 0.00 0.00 178.44 178.19 1wir h LEU 99 N 0.20 0.85 -1.06 1.67 4.07 -1.97 -2.99 115.31 116.08 1wir h LEU 99 Ca 0.22 -0.61 0.00 0.00 0.08 0.00 0.00 57.88 57.57 1wir h LEU 99 Cb 0.59 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1wir h LEU 99 CO -0.04 1.31 0.00 0.00 -1.08 0.00 0.00 178.44 178.63 1wir n GLN 100 N -4.06 1.38 -2.82 1.13 10.64 -0.51 -4.86 117.38 118.28 1wir n GLN 100 Ca -0.07 -0.34 -0.39 0.00 -1.83 0.00 0.00 57.00 54.37 1wir n GLN 100 Cb 0.67 -1.47 -0.06 0.00 -0.86 0.00 0.00 30.24 28.52 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 -1.36 3.91 -1.25 2.61 5.36 -0.92 -4.96 117.98 121.38 1wir s PHE 101 Ca 0.06 1.81 -0.20 0.00 -0.96 0.00 0.00 56.93 57.64 1wir s PHE 101 Cb 0.04 -2.91 0.02 0.00 -0.34 0.00 0.00 43.02 39.83 1wir s PHE 101 CO 0.02 0.43 1.80 -0.51 -1.46 0.00 0.00 175.22 175.50 1wir s ASP 102 N -1.26 6.21 0.49 6.13 1.01 -1.26 -4.75 116.67 123.24 1wir s ASP 102 Ca 0.41 -2.14 0.14 0.00 0.71 0.00 0.00 52.55 51.68 1wir s ASP 102 Cb -0.24 -2.58 1.17 0.00 1.01 0.00 0.00 42.92 42.28 1wir s ASP 102 CO 0.29 -1.83 2.12 1.62 0.21 0.00 0.00 175.17 177.58 1wir h VAL 103 N 5.83 1.03 -0.95 -1.27 3.04 -1.93 -2.40 116.25 119.60 1wir h VAL 103 Ca 0.36 -0.09 0.23 0.00 -1.01 0.00 0.00 66.70 66.19 1wir h VAL 103 Cb 0.90 0.94 -0.12 0.00 -2.01 0.00 0.00 31.29 30.99 1wir h VAL 103 CO 1.38 0.03 0.49 -0.33 -1.01 0.00 0.00 177.57 178.14 1wir h GLU 104 N 0.10 0.47 -1.22 4.17 5.08 -1.96 0.29 114.58 121.51 1wir h GLU 104 Ca 0.03 -0.03 0.36 0.00 -1.00 0.00 0.00 59.36 58.71 1wir h GLU 104 Cb 0.02 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.07 1wir h GLU 104 CO -0.00 0.31 0.82 0.22 -1.00 0.00 0.00 179.01 179.36 1wir h ASP 105 N 0.49 0.24 -0.58 1.42 3.58 -1.84 0.68 116.42 120.40 1wir h ASP 105 Ca 0.60 0.07 -0.07 0.00 0.42 0.00 0.00 57.03 58.05 1wir h ASP 105 Cb 1.15 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 42.21 1wir h ASP 105 CO -0.50 -0.02 0.09 -0.07 -2.88 0.00 0.00 179.24 175.86 1wir h LEU 106 N 0.17 0.96 -8.76 2.28 3.38 -0.61 -3.41 115.31 109.32 1wir h LEU 106 Ca 0.67 -0.22 -0.54 0.00 0.09 0.00 0.00 57.88 57.88 1wir h LEU 106 Cb 2.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.65 1wir h LEU 106 CO -0.23 0.96 1.42 -0.31 0.09 0.00 0.00 178.44 180.37 1wir s TYR 107 N -5.16 1.47 -0.73 1.13 2.02 0.24 -4.80 117.35 111.52 1wir s TYR 107 Ca -0.11 0.84 -0.26 0.00 -0.37 0.00 0.00 57.07 57.18 1wir s TYR 107 Cb 0.15 -3.96 -0.17 0.00 -0.40 0.00 0.00 41.96 37.58 1wir s TYR 107 CO 0.83 -2.98 2.05 -0.85 -1.57 0.00 0.00 175.55 173.04 1wir n GLU 108 N 8.79 0.00 -2.26 -0.62 0.28 -1.26 -4.82 120.64 120.75 1wir n GLU 108 Ca 0.27 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.88 1wir n GLU 108 Cb 0.49 -1.18 -0.02 0.00 1.43 0.00 0.00 31.44 32.17 1wir n GLU 108 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1wir s PRO 109 N 6.72 4.17 -0.11 3.44 0.04 -1.26 -4.91 135.00 143.09 1wir s PRO 109 Ca 1.05 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 64.01 1wir s PRO 109 Cb -1.01 -2.82 0.02 0.00 0.04 0.00 0.00 34.50 30.73 1wir s PRO 109 CO 0.40 -0.25 2.29 0.28 0.04 0.00 0.00 177.00 179.76 1wir n VAL 110 N 0.35 2.43 -2.14 -0.36 0.31 -1.26 -4.18 118.33 113.48 1wir n VAL 110 Ca 0.03 -1.10 -0.22 0.00 -0.01 0.00 0.00 64.34 63.04 1wir n VAL 110 Cb 0.45 -1.53 0.02 0.00 -0.91 0.00 0.00 33.84 31.87 1wir n VAL 110 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1wir n SER 111 N 1.30 4.53 -3.31 4.52 2.88 -1.26 -5.08 113.62 117.19 1wir n SER 111 Ca 0.17 -3.56 -0.38 0.00 -1.33 0.00 0.00 58.87 53.77 1wir n SER 111 Cb 0.58 -0.36 -0.03 0.00 -0.75 0.00 0.00 64.21 63.64 1wir n SER 111 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1wir n THR 112 N -0.68 1.04 -0.11 2.46 -1.04 -1.26 -4.85 114.28 109.84 1wir n THR 112 Ca 0.39 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.05 62.01 1wir n THR 112 Cb 0.93 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.41 1wir n THR 112 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1wir h PRO 113 N 1.20 0.89 -7.08 -2.82 0.13 -1.98 -3.46 132.00 118.88 1wir h PRO 113 Ca -0.26 -0.47 -0.61 0.00 -0.87 0.00 0.00 66.00 63.79 1wir h PRO 113 Cb 1.07 0.02 -0.29 0.00 0.13 0.00 0.00 31.00 31.93 1wir h PRO 113 CO 0.44 1.12 -0.92 0.34 -0.23 0.00 0.00 178.00 178.75 1wir n PHE 114 N -4.11 -1.28 -3.52 1.56 7.35 -1.26 -4.89 117.46 111.31 1wir n PHE 114 Ca -0.03 0.68 -0.01 0.00 -0.76 0.00 0.00 57.45 57.34 1wir n PHE 114 Cb 0.53 -2.40 -0.05 0.00 0.35 0.00 0.00 39.48 37.91 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 -3.71 -0.67 -0.27 -2.13 0.15 -1.26 -5.17 113.70 100.64 1wir s SER 115 Ca 0.50 0.97 -0.20 0.00 0.70 0.00 0.00 55.95 57.92 1wir s SER 115 Cb -0.29 1.62 0.07 0.00 -1.71 0.00 0.00 66.02 65.72 1wir s SER 115 CO 1.00 -0.14 0.69 -0.55 1.20 0.00 0.00 173.24 175.44 1wir s SER 116 N 2.16 -0.84 0.00 5.45 0.15 -1.26 -5.09 113.70 114.27 1wir s SER 116 Ca -0.05 1.46 0.00 0.00 0.70 0.00 0.00 55.95 58.05 1wir s SER 116 Cb -0.06 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.65 1wir s SER 116 CO -0.17 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1wir n GLY 117 N 3.54 -0.76 3.74 9.45 0.00 -1.26 -5.14 105.19 114.76 1wir n GLY 117 Ca -0.17 0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 4.39 -0.58 1.61 0.04 -1.26 -4.98 135.00 134.22 1wir s PRO 118 Ca 0.00 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 62.84 1wir s PRO 118 Cb 0.00 -3.20 0.04 0.00 0.04 0.00 0.00 34.50 31.38 1wir s PRO 118 CO 0.00 -0.26 0.99 -1.12 0.04 0.00 0.00 177.00 176.66 1wir s SER 119 N 0.39 6.31 0.38 6.66 0.01 -1.26 -5.03 113.70 121.17 1wir s SER 119 Ca 0.57 -0.42 -0.08 0.00 1.31 0.00 0.00 55.95 57.33 1wir s SER 119 Cb -0.36 -2.45 -0.06 0.00 0.21 0.00 0.00 66.02 63.36 1wir s SER 119 CO 0.37 -1.33 0.71 -0.44 0.41 0.00 0.00 173.24 172.97 1wir s SER 120 N 3.06 6.47 0.00 2.44 0.01 -1.26 -5.37 113.70 119.04 1wir s SER 120 Ca 0.31 0.99 0.31 0.00 1.31 0.00 0.00 55.95 58.87 1wir s SER 120 Cb -0.12 -2.26 1.76 0.00 0.21 0.00 0.00 66.02 65.60 1wir s SER 120 CO 0.18 -0.37 2.15 0.61 0.41 0.00 0.00 173.24 176.22