#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 5.34 -0.41 1.61 0.01 -1.26 -5.09 113.70 113.91 1wir s SER 2 Ca 0.00 -0.22 -0.10 0.00 1.31 0.00 0.00 55.95 56.94 1wir s SER 2 Cb 0.00 -1.33 0.06 0.00 0.21 0.00 0.00 66.02 64.96 1wir s SER 2 CO 0.00 0.05 0.24 -0.44 0.41 0.00 0.00 173.24 173.50 1wir s SER 3 N -3.25 5.66 0.00 2.44 0.01 -1.26 -5.08 113.70 112.22 1wir s SER 3 Ca 0.31 -1.37 0.00 0.00 1.31 0.00 0.00 55.95 56.20 1wir s SER 3 Cb -0.09 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1wir s SER 3 CO 0.23 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.99 1wir n GLY 4 N 4.94 -1.04 3.53 3.44 0.00 -1.26 -5.09 105.19 109.71 1wir n GLY 4 Ca -0.11 -1.21 -0.04 0.00 0.00 0.00 0.00 46.02 44.66 1wir n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wir s SER 5 N -1.47 -0.86 -0.14 1.61 0.01 -1.26 -5.14 113.70 106.45 1wir s SER 5 Ca 0.00 1.39 -0.02 0.00 1.31 0.00 0.00 55.95 58.63 1wir s SER 5 Cb 0.00 1.87 0.04 0.00 0.21 0.00 0.00 66.02 68.15 1wir s SER 5 CO 0.00 -0.22 0.01 -0.55 0.41 0.00 0.00 173.24 172.89 1wir s SER 6 N 2.60 2.32 0.00 2.44 0.15 -1.26 -5.01 113.70 114.94 1wir s SER 6 Ca -0.06 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1wir s SER 6 Cb -0.11 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 1wir s SER 6 CO -0.17 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1wir n GLY 7 N 5.08 -0.52 3.57 9.45 0.00 -1.26 -5.07 105.19 116.44 1wir n GLY 7 Ca -0.09 0.12 -0.58 0.00 0.00 0.00 0.00 46.02 45.48 1wir n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wir n GLU 8 N -1.22 0.74 0.00 1.61 4.07 -1.26 -4.76 120.64 119.81 1wir n GLU 8 Ca 0.00 0.25 0.05 0.00 -0.06 0.00 0.00 57.16 57.39 1wir n GLU 8 Cb 0.00 -1.98 0.27 0.00 -0.06 0.00 0.00 31.44 29.67 1wir n GLU 8 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1wir n PRO 9 N 6.24 0.49 -0.19 5.31 -0.04 -1.26 -4.20 135.00 141.35 1wir n PRO 9 Ca 0.36 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.77 1wir n PRO 9 Cb 0.09 -1.29 -0.04 0.00 -0.04 0.00 0.00 33.50 32.21 1wir n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wir n ALA 10 N -0.79 -0.28 -1.98 0.55 0.00 -1.26 -3.99 120.51 112.75 1wir n ALA 10 Ca 0.07 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.46 1wir n ALA 10 Cb 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 1wir n ALA 10 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1wir s HIS 11 N -4.48 1.89 0.09 0.00 3.76 -1.26 -4.48 115.29 110.80 1wir s HIS 11 Ca -0.05 0.28 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 1wir s HIS 11 Cb 0.05 -3.97 0.00 0.00 1.11 0.00 0.00 32.58 29.77 1wir s HIS 11 CO 0.27 -3.72 0.00 0.41 -0.85 0.00 0.00 174.74 170.86 1wir n GLY 12 N 4.49 -4.70 3.59 -2.22 0.00 -1.26 -5.03 105.19 100.07 1wir n GLY 12 Ca 0.19 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.45 2.65 -0.30 1.61 1.70 -1.26 -4.92 118.95 116.97 1wir s ARG 13 Ca 0.00 -0.64 -0.06 0.00 -0.47 0.00 0.00 55.73 54.56 1wir s ARG 13 Cb 0.00 -2.54 0.19 0.00 -0.57 0.00 0.00 34.95 32.02 1wir s ARG 13 CO 0.00 0.63 0.86 1.14 -1.08 0.00 0.00 175.30 176.85 1wir s GLN 14 N -1.13 0.34 -0.04 3.89 -2.07 -1.26 -5.16 119.66 114.22 1wir s GLN 14 Ca 0.15 0.50 0.05 0.00 -1.82 0.00 0.00 55.36 54.24 1wir s GLN 14 Cb -0.11 0.26 -0.02 0.00 -1.09 0.00 0.00 33.01 32.05 1wir s GLN 14 CO 0.05 -0.46 -0.18 -1.01 -1.32 0.00 0.00 175.29 172.36 1wir s HIS 15 N 2.91 2.58 -0.18 9.60 3.76 -1.26 -4.64 115.29 128.06 1wir s HIS 15 Ca 0.12 -0.28 -0.03 0.00 -0.15 0.00 0.00 55.06 54.72 1wir s HIS 15 Cb -0.10 -1.60 -0.02 0.00 1.11 0.00 0.00 32.58 31.98 1wir s HIS 15 CO -0.18 0.09 -0.06 -0.08 -0.85 0.00 0.00 174.74 173.66 1wir s THR 16 N -0.63 3.48 1.09 1.30 -1.32 0.10 -4.80 115.64 114.85 1wir s THR 16 Ca 0.10 -0.48 -0.15 0.00 -1.21 0.00 0.00 61.69 59.94 1wir s THR 16 Cb -0.11 -2.54 0.23 0.00 -1.51 0.00 0.00 72.50 68.58 1wir s THR 16 CO 0.00 0.46 1.10 -2.16 -2.21 0.00 0.00 174.62 171.82 1wir s PRO 17 N 0.92 -0.30 0.51 7.08 0.04 -1.26 -1.52 135.00 140.46 1wir s PRO 17 Ca -0.01 0.26 -0.03 0.00 0.04 0.00 0.00 61.00 61.27 1wir s PRO 17 Cb -0.15 -1.67 -0.00 0.00 0.04 0.00 0.00 34.50 32.72 1wir s PRO 17 CO 0.01 -3.17 0.77 0.00 0.04 0.00 0.00 177.00 174.65 1wir h LEU 19 N 0.16 0.27 0.07 0.00 -0.00 -1.92 -3.39 115.31 110.51 1wir h LEU 19 Ca -0.46 -0.79 -0.28 0.00 -0.00 0.00 0.00 57.88 56.35 1wir h LEU 19 Cb 1.25 -0.09 0.03 0.00 -0.00 0.00 0.00 40.66 41.84 1wir h LEU 19 CO 0.59 1.61 -1.13 -0.26 -0.00 0.00 0.00 178.44 179.25 1wir h PHE 20 N -0.44 1.00 -4.51 1.13 0.04 -1.90 -3.43 116.94 108.83 1wir h PHE 20 Ca -0.33 -0.59 -0.38 0.00 2.80 0.00 0.00 57.97 59.47 1wir h PHE 20 Cb 1.66 -0.09 -0.07 0.00 2.20 0.00 0.00 35.95 39.65 1wir h PHE 20 CO 0.12 1.43 -0.28 0.00 -0.60 0.00 0.00 178.31 178.97 1wir n ASP 22 N -1.31 6.68 -4.65 0.00 9.92 -1.26 -3.49 116.55 122.44 1wir n ASP 22 Ca -0.10 -3.80 -0.38 0.00 -0.53 0.00 0.00 54.79 49.97 1wir n ASP 22 Cb 0.38 -0.87 -0.08 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 -3.90 4.10 0.09 -1.24 0.52 -1.26 -4.80 118.95 112.47 1wir s ARG 23 Ca 0.52 0.05 -0.21 0.00 -0.52 0.00 0.00 55.73 55.57 1wir s ARG 23 Cb 0.43 -3.57 -0.07 0.00 0.52 0.00 0.00 34.95 32.26 1wir s ARG 23 CO -0.31 -0.09 0.62 -0.51 0.02 0.00 0.00 175.30 175.03 1wir s LEU 24 N 1.49 4.53 0.09 2.53 1.43 -1.26 -0.49 118.68 127.01 1wir s LEU 24 Ca 0.15 1.35 0.03 0.00 -1.03 0.00 0.00 54.13 54.63 1wir s LEU 24 Cb -0.15 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 1wir s LEU 24 CO 0.08 0.24 -0.09 -0.36 0.23 0.00 0.00 176.35 176.45 1wir s PHE 25 N -1.03 0.98 0.01 0.29 0.40 -0.58 -4.93 117.98 113.13 1wir s PHE 25 Ca 0.31 -0.70 -0.25 0.00 -0.60 0.00 0.00 56.93 55.69 1wir s PHE 25 Cb -0.20 -0.54 -0.18 0.00 0.51 0.00 0.00 43.02 42.60 1wir s PHE 25 CO 0.21 -0.04 1.36 0.00 0.70 0.00 0.00 175.22 177.44 1wir h ALA 26 N 3.51 -0.11 -1.68 5.36 0.00 -1.86 0.29 119.26 124.76 1wir h ALA 26 Ca -0.37 -0.18 -0.58 0.00 0.00 0.00 0.00 54.91 53.79 1wir h ALA 26 Cb 1.18 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 1wir h ALA 26 CO 0.55 -0.39 -0.59 -1.12 0.00 0.00 0.00 179.25 177.69 1wir s SER 27 N -5.42 3.34 0.01 0.00 0.01 -1.26 -4.41 113.70 105.98 1wir s SER 27 Ca -0.15 -1.41 -0.25 0.00 1.31 0.00 0.00 55.95 55.45 1wir s SER 27 Cb 0.03 -0.18 -0.15 0.00 0.21 0.00 0.00 66.02 65.93 1wir s SER 27 CO 0.64 -0.56 1.10 0.00 0.41 0.00 0.00 173.24 174.82 1wir h ALA 28 N 1.85 -0.77 -0.81 1.44 0.00 -1.89 -3.25 119.26 115.83 1wir h ALA 28 Ca -0.43 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.41 1wir h ALA 28 Cb 1.25 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 19.21 1wir h ALA 28 CO 0.76 -0.76 -0.32 0.39 0.00 0.00 0.00 179.25 179.31 1wir n GLU 29 N -5.31 -0.20 -0.21 0.00 4.71 -1.26 0.71 120.64 119.09 1wir n GLU 29 Ca -0.11 1.24 -0.03 0.00 -0.01 0.00 0.00 57.16 58.26 1wir n GLU 29 Cb 0.33 -1.84 0.04 0.00 -1.01 0.00 0.00 31.44 28.96 1wir n GLU 29 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1wir h GLU 30 N 0.00 -0.09 0.31 3.49 3.07 -1.99 -1.17 114.58 118.20 1wir h GLU 30 Ca 0.28 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 1wir h GLU 30 Cb 0.48 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 1wir h GLU 30 CO -0.80 -0.06 -0.37 1.15 -1.40 0.00 0.00 179.01 177.53 1wir h THR 31 N -0.09 0.00 -0.78 1.13 2.02 0.25 -1.55 112.91 113.89 1wir h THR 31 Ca 0.27 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.55 1wir h THR 31 Cb 0.52 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.82 1wir h THR 31 CO -0.68 0.00 -0.51 -0.26 0.37 0.00 0.00 175.52 174.44 1wir h PHE 32 N -0.70 -1.56 -0.96 3.16 0.04 -0.88 0.47 116.94 116.52 1wir h PHE 32 Ca -0.04 0.10 0.20 0.00 2.80 0.00 0.00 57.97 61.04 1wir h PHE 32 Cb 0.62 0.79 -0.11 0.00 2.20 0.00 0.00 35.95 39.44 1wir h PHE 32 CO -0.24 -0.41 0.54 1.03 -0.60 0.00 0.00 178.31 178.63 1wir h SER 33 N -0.13 0.63 -0.71 2.17 0.87 -1.08 0.21 113.55 115.52 1wir h SER 33 Ca 0.18 0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.81 1wir h SER 33 Cb 0.52 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 1wir h SER 33 CO -0.82 0.17 0.23 -0.74 -0.53 0.00 0.00 176.83 175.14 1wir h HIS 34 N 0.62 1.14 0.00 2.24 -0.00 0.91 -2.21 115.15 117.85 1wir h HIS 34 Ca 0.58 -0.11 -0.07 0.00 -0.00 0.00 0.00 60.37 60.77 1wir h HIS 34 Cb 0.98 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 28.05 1wir h HIS 34 CO -0.04 0.90 -0.32 0.00 -0.00 0.00 0.00 177.93 178.46 1wir h LYS 36 N 0.00 0.00 0.02 0.00 1.57 -0.38 1.65 116.57 119.43 1wir h LYS 36 Ca -0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1wir h LYS 36 Cb 0.87 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.13 1wir h LYS 36 CO 0.04 0.00 -2.03 1.28 -0.57 0.00 0.00 179.45 178.17 1wir n LEU 37 N -3.05 2.23 -0.03 2.94 4.77 -0.92 -3.80 117.00 119.14 1wir n LEU 37 Ca 0.03 0.26 -0.02 0.00 -0.03 0.00 0.00 56.01 56.25 1wir n LEU 37 Cb 0.48 -0.94 -0.01 0.00 -2.33 0.00 0.00 43.42 40.62 1wir n LEU 37 CO 0.32 0.60 -0.15 -0.62 -1.33 0.00 0.00 177.39 176.21 1wir n GLU 38 N -3.99 0.19 0.00 3.23 -0.58 -0.47 -4.28 120.64 114.74 1wir n GLU 38 Ca -0.42 0.36 0.07 0.00 -0.42 0.00 0.00 57.16 56.75 1wir n GLU 38 Cb 0.87 -1.14 0.43 0.00 -0.57 0.00 0.00 31.44 31.03 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 -3.26 0.00 -3.32 -0.32 8.25 -0.45 -4.84 115.22 111.29 1wir n HIS 39 Ca -0.03 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.18 1wir n HIS 39 Cb 0.11 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 1wir n HIS 39 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1wir n GLN 40 N -0.81 -1.10 -4.01 -0.41 6.02 0.53 -4.82 117.38 112.77 1wir n GLN 40 Ca 0.11 0.08 -0.34 0.00 -0.01 0.00 0.00 57.00 56.84 1wir n GLN 40 Cb 0.05 -3.29 -0.15 0.00 1.02 0.00 0.00 30.24 27.87 1wir n GLN 40 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1wir s PHE 41 N -2.36 2.91 -0.13 1.08 5.36 0.71 -4.88 117.98 120.67 1wir s PHE 41 Ca 0.48 -1.41 -0.10 0.00 -0.96 0.00 0.00 56.93 54.93 1wir s PHE 41 Cb -0.28 -2.01 -0.05 0.00 -0.34 0.00 0.00 43.02 40.34 1wir s PHE 41 CO 0.59 -0.71 0.21 -0.80 -1.46 0.00 0.00 175.22 173.05 1wir s ASN 42 N 1.35 6.42 -0.02 6.13 0.01 -1.26 -3.57 114.94 124.00 1wir s ASN 42 Ca 0.04 0.49 -0.10 0.00 -0.71 0.00 0.00 52.86 52.58 1wir s ASN 42 Cb -0.14 -2.12 -0.31 0.00 0.41 0.00 0.00 41.25 39.08 1wir s ASN 42 CO -0.08 0.28 0.76 -0.29 -1.51 0.00 0.00 177.10 176.26 1wir h ILE 43 N 4.26 1.04 -0.63 0.60 6.09 -1.99 -3.30 117.51 123.57 1wir h ILE 43 Ca -0.48 -2.60 0.12 0.00 -1.37 0.00 0.00 64.86 60.52 1wir h ILE 43 Cb 1.19 2.81 -0.09 0.00 0.47 0.00 0.00 36.82 41.21 1wir h ILE 43 CO 0.67 0.84 0.17 -2.24 -3.07 0.00 0.00 178.15 174.52 1wir h ASP 44 N 0.11 0.07 -0.86 2.19 3.04 -2.00 -0.48 116.42 118.49 1wir h ASP 44 Ca -0.31 0.11 -0.01 0.00 -3.24 0.00 0.00 57.03 53.58 1wir h ASP 44 Cb 2.10 0.13 -0.04 0.00 -1.04 0.00 0.00 39.33 40.48 1wir h ASP 44 CO 0.19 0.04 0.49 -1.28 -2.04 0.00 0.00 179.24 176.64 1wir h SER 45 N 0.31 1.05 -0.29 4.15 0.87 -2.01 -2.73 113.55 114.91 1wir h SER 45 Ca 0.33 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1wir h SER 45 Cb 0.49 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1wir h SER 45 CO -0.39 0.83 0.19 0.24 -0.53 0.00 0.00 176.83 177.17 1wir h MET 46 N 1.19 0.39 -0.09 2.24 2.86 -1.21 0.21 114.93 120.51 1wir h MET 46 Ca 0.30 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.96 1wir h MET 46 Cb -0.00 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.51 1wir h MET 46 CO -0.05 0.27 -0.32 0.28 1.06 0.00 0.00 176.91 178.14 1wir h VAL 47 N 0.39 0.29 -0.64 -2.22 2.07 -0.97 -2.03 116.25 113.15 1wir h VAL 47 Ca 0.11 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.54 1wir h VAL 47 Cb -0.03 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1wir h VAL 47 CO -0.02 0.00 0.06 0.45 0.02 0.00 0.00 177.57 178.08 1wir h HIS 48 N -0.42 1.16 -0.00 1.57 3.86 -1.38 0.61 115.15 120.55 1wir h HIS 48 Ca 0.09 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1wir h HIS 48 Cb 0.55 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 1wir h HIS 48 CO -0.39 0.99 -0.00 -0.22 0.86 0.00 0.00 177.93 179.17 1wir h LYS 49 N 0.99 -0.00 -0.87 2.45 3.64 0.10 -2.49 116.57 120.39 1wir h LYS 49 Ca 0.19 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.23 1wir h LYS 49 Cb 0.49 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.11 1wir h LYS 49 CO 0.02 -0.00 0.43 0.72 -2.27 0.00 0.00 179.45 178.35 1wir n HIS 50 N -2.67 2.63 -4.05 1.91 8.25 -0.83 -4.94 115.22 115.51 1wir n HIS 50 Ca -0.00 -1.44 -0.42 0.00 -0.26 0.00 0.00 57.72 55.61 1wir n HIS 50 Cb 0.00 -0.78 0.02 0.00 1.12 0.00 0.00 29.99 30.35 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 -0.54 -0.71 3.55 -1.41 0.00 0.14 -4.74 105.19 101.49 1wir n GLY 51 Ca 0.47 0.29 -0.34 0.00 0.00 0.00 0.00 46.02 46.44 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 -7.20 3.24 0.00 0.99 1.43 0.17 -4.96 118.68 112.34 1wir s LEU 52 Ca 0.43 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.25 1wir s LEU 52 Cb -0.24 -2.54 0.18 0.00 0.03 0.00 0.00 46.19 43.62 1wir s LEU 52 CO 0.86 -2.50 0.45 -1.84 0.23 0.00 0.00 176.35 173.54 1wir n GLU 53 N 9.05 -3.17 -0.08 1.70 0.28 -1.26 -3.65 120.64 123.51 1wir n GLU 53 Ca 0.29 -0.74 -0.02 0.00 -0.16 0.00 0.00 57.16 56.52 1wir n GLU 53 Cb 0.50 -0.91 -0.02 0.00 1.43 0.00 0.00 31.44 32.44 1wir n GLU 53 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1wir n PHE 54 N -4.26 -0.08 -0.08 -1.84 7.35 -1.26 -0.96 117.46 116.33 1wir n PHE 54 Ca 0.07 0.23 -0.14 0.00 -0.76 0.00 0.00 57.45 56.85 1wir n PHE 54 Cb 0.29 -0.41 -0.05 0.00 0.35 0.00 0.00 39.48 39.66 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 0.77 -0.93 -5.13 0.05 -2.01 -3.26 116.97 106.46 1wir h TYR 55 Ca 0.03 -0.25 0.17 0.00 0.05 0.00 0.00 58.73 58.73 1wir h TYR 55 Cb 0.07 -0.16 -0.17 0.00 1.01 0.00 0.00 36.73 37.49 1wir h TYR 55 CO -0.70 0.98 -0.28 0.41 -1.05 0.00 0.00 178.16 177.52 1wir n GLY 56 N 0.25 -1.69 0.13 3.88 0.00 -0.14 0.34 105.19 107.97 1wir n GLY 56 Ca -0.05 1.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.89 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 0.36 -0.34 1.61 3.20 -1.11 -2.86 116.97 117.82 1wir h TYR 57 Ca 0.40 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.35 1wir h TYR 57 Cb 0.64 -0.12 -0.08 0.00 1.54 0.00 0.00 36.73 38.71 1wir h TYR 57 CO -0.75 0.24 -0.18 0.82 -1.64 0.00 0.00 178.16 176.64 1wir h ILE 58 N 0.37 0.46 -0.95 1.81 2.04 -0.18 0.02 117.51 121.09 1wir h ILE 58 Ca 0.10 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.14 1wir h ILE 58 Cb -0.03 0.46 -0.08 0.00 -0.74 0.00 0.00 36.82 36.43 1wir h ILE 58 CO -0.02 0.00 0.60 0.11 0.00 0.00 0.00 178.15 178.84 1wir h LYS 59 N -0.13 0.64 -0.41 2.37 1.57 -1.04 -0.50 116.57 119.07 1wir h LYS 59 Ca 0.17 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1wir h LYS 59 Cb 0.40 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1wir h LYS 59 CO -0.43 0.42 0.16 1.25 -0.57 0.00 0.00 179.45 180.29 1wir h LEU 60 N 0.66 0.56 0.55 2.94 7.12 -0.80 -0.37 115.31 125.97 1wir h LEU 60 Ca 0.51 -0.16 -0.03 0.00 0.13 0.00 0.00 57.88 58.32 1wir h LEU 60 Cb 0.91 -0.14 0.01 0.00 -0.53 0.00 0.00 40.66 40.90 1wir h LEU 60 CO -0.26 0.57 -0.27 0.40 -0.13 0.00 0.00 178.44 178.75 1wir h ILE 61 N 0.51 0.00 -0.99 4.05 1.08 -0.51 -2.84 117.51 118.81 1wir h ILE 61 Ca 0.14 -0.03 0.19 0.00 -0.39 0.00 0.00 64.86 64.77 1wir h ILE 61 Cb 0.18 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.83 1wir h ILE 61 CO -0.01 0.00 0.59 0.78 -0.69 0.00 0.00 178.15 178.82 1wir h ASN 62 N -0.77 0.75 -0.50 1.72 2.35 -1.41 -0.90 115.58 116.82 1wir h ASN 62 Ca -0.08 0.10 0.10 0.00 -0.55 0.00 0.00 56.30 55.88 1wir h ASN 62 Cb 0.57 -0.03 -0.10 0.00 0.05 0.00 0.00 38.32 38.81 1wir h ASN 62 CO 0.12 0.25 -0.14 0.15 -1.65 0.00 0.00 177.43 176.17 1wir h PHE 63 N 0.73 -0.30 0.00 1.19 3.57 -0.95 0.23 116.94 121.41 1wir h PHE 63 Ca 0.58 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 62.06 1wir h PHE 63 Cb 0.91 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1wir h PHE 63 CO -0.01 -0.23 -0.30 0.82 -2.23 0.00 0.00 178.31 176.35 1wir h ILE 64 N -0.02 0.86 -0.14 1.41 2.04 -0.94 0.15 117.51 120.87 1wir h ILE 64 Ca 0.24 -1.21 -0.15 0.00 1.00 0.00 0.00 64.86 64.74 1wir h ILE 64 Cb 0.38 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1wir h ILE 64 CO -0.52 0.30 -0.56 0.03 0.00 0.00 0.00 178.15 177.40 1wir h ARG 65 N 0.00 0.43 0.00 2.37 2.47 -0.00 0.15 114.38 119.80 1wir h ARG 65 Ca -0.00 -0.28 -0.08 0.00 -1.26 0.00 0.00 59.98 58.36 1wir h ARG 65 Cb 0.70 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.05 1wir h ARG 65 CO 0.04 0.88 -0.72 1.25 0.56 0.00 0.00 179.97 181.98 1wir h LEU 66 N 0.33 0.00 -0.17 3.04 6.46 -0.64 -3.40 115.31 120.94 1wir h LEU 66 Ca 0.00 -0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.52 1wir h LEU 66 Cb 1.08 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.01 1wir h LEU 66 CO 0.10 1.01 -0.01 0.11 -0.62 0.00 0.00 178.44 179.02 1wir h LYS 67 N -1.00 0.30 -5.12 1.25 1.79 -0.85 -3.48 116.57 109.46 1wir h LYS 67 Ca -0.12 -0.10 -0.29 0.00 -2.18 0.00 0.00 60.65 57.96 1wir h LYS 67 Cb 0.77 -0.02 0.14 0.00 -1.58 0.00 0.00 32.23 31.54 1wir h LYS 67 CO -0.07 0.53 -0.65 0.09 -1.08 0.00 0.00 179.45 178.26 1wir n ASN 68 N -4.72 -2.29 -2.88 0.86 5.03 0.53 -5.02 115.26 106.77 1wir n ASN 68 Ca -0.05 -0.53 0.00 0.00 0.87 0.00 0.00 54.58 54.87 1wir n ASN 68 Cb 0.23 -4.45 0.00 0.00 -1.02 0.00 0.00 39.78 34.54 1wir n ASN 68 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1wir n PRO 69 N -3.72 -0.27 -4.59 3.52 -0.04 -1.26 -5.04 135.00 123.60 1wir n PRO 69 Ca -0.23 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.94 1wir n PRO 69 Cb 0.64 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.63 2.18 0.09 0.52 -1.32 -1.26 -4.88 115.64 110.34 1wir s THR 70 Ca 0.00 -1.60 -0.18 0.00 -1.21 0.00 0.00 61.69 58.70 1wir s THR 70 Cb 0.00 -1.90 -0.04 0.00 -1.51 0.00 0.00 72.50 69.05 1wir s THR 70 CO 0.00 0.19 1.26 0.52 -2.21 0.00 0.00 174.62 174.38 1wir n VAL 71 N 1.27 -0.40 -0.30 5.08 0.31 -1.26 0.73 118.33 123.77 1wir n VAL 71 Ca -0.18 1.95 0.27 0.00 -0.01 0.00 0.00 64.34 66.38 1wir n VAL 71 Cb 0.53 -2.47 0.50 0.00 -0.91 0.00 0.00 33.84 31.49 1wir n VAL 71 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1wir n GLU 72 N -4.33 -0.06 -0.01 5.55 0.28 -1.26 0.55 120.64 121.35 1wir n GLU 72 Ca 0.01 1.30 -0.13 0.00 -0.16 0.00 0.00 57.16 58.18 1wir n GLU 72 Cb 0.15 -2.28 -0.10 0.00 1.43 0.00 0.00 31.44 30.64 1wir n GLU 72 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 1wir h TYR 73 N 0.00 -0.02 -0.95 -1.84 5.03 -0.03 -3.07 116.97 116.10 1wir h TYR 73 Ca 0.75 -0.00 0.26 0.00 2.58 0.00 0.00 58.73 62.32 1wir h TYR 73 Cb 1.92 0.01 -0.14 0.00 1.55 0.00 0.00 36.73 40.07 1wir h TYR 73 CO -0.09 0.53 0.46 0.52 -1.32 0.00 0.00 178.16 178.25 1wir h MET 74 N -0.58 0.37 0.00 1.82 2.86 0.17 0.87 114.93 120.43 1wir h MET 74 Ca -0.00 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 1wir h MET 74 Cb 0.56 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1wir h MET 74 CO 0.00 0.24 -0.35 -0.91 1.06 0.00 0.00 176.91 176.95 1wir h ASN 75 N 0.38 0.00 -3.52 1.22 2.35 -1.29 -3.33 115.58 111.39 1wir h ASN 75 Ca 0.63 0.00 -0.79 0.00 -0.55 0.00 0.00 56.30 55.59 1wir h ASN 75 Cb 1.29 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 39.38 1wir h ASN 75 CO -0.57 0.35 0.43 -0.24 -1.65 0.00 0.00 177.43 175.76 1wir n SER 76 N -4.11 5.47 -3.86 5.81 2.88 0.30 -4.99 113.62 115.12 1wir n SER 76 Ca -0.02 -3.06 -0.11 0.00 -1.33 0.00 0.00 58.87 54.35 1wir n SER 76 Cb 0.39 -1.36 -0.11 0.00 -0.75 0.00 0.00 64.21 62.39 1wir n SER 76 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wir s ILE 77 N -1.35 0.06 0.18 2.46 1.01 -1.25 -4.89 121.20 117.42 1wir s ILE 77 Ca 0.31 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.51 1wir s ILE 77 Cb -0.09 -0.34 -0.00 0.00 0.01 0.00 0.00 42.46 42.04 1wir s ILE 77 CO -0.08 -0.26 0.21 -1.22 0.00 0.00 0.00 174.94 173.59 1wir n TYR 78 N 2.02 -0.72 -3.55 3.97 4.02 -1.26 -5.09 117.16 116.54 1wir n TYR 78 Ca -0.19 -1.33 -0.36 0.00 -0.01 0.00 0.00 57.90 56.01 1wir n TYR 78 Cb 0.57 0.23 -0.06 0.00 -0.02 0.00 0.00 39.34 40.06 1wir n TYR 78 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1wir s ASN 79 N -2.17 6.70 0.10 7.72 -0.87 -1.26 -2.12 114.94 123.04 1wir s ASN 79 Ca 0.18 0.85 -0.31 0.00 -1.57 0.00 0.00 52.86 52.01 1wir s ASN 79 Cb 0.00 -2.20 -0.07 0.00 -0.02 0.00 0.00 41.25 38.95 1wir s ASN 79 CO 0.13 0.24 1.37 -2.16 -2.57 0.00 0.00 177.10 174.11 1wir s PRO 80 N -1.55 4.33 0.68 -0.60 0.04 -1.26 -5.12 135.00 131.52 1wir s PRO 80 Ca 0.29 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 63.19 1wir s PRO 80 Cb -0.15 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1wir s PRO 80 CO 0.16 -0.44 1.19 1.33 0.04 0.00 0.00 177.00 179.28 1wir n VAL 81 N 4.03 3.98 0.75 -0.36 0.24 -0.90 -4.87 118.33 121.21 1wir n VAL 81 Ca 0.11 -0.43 0.07 0.00 -2.04 0.00 0.00 64.34 62.06 1wir n VAL 81 Cb 0.43 -1.34 0.39 0.00 -1.47 0.00 0.00 33.84 31.85 1wir n VAL 81 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1wir n PRO 82 N -2.04 0.27 -0.53 7.34 -0.04 -1.26 -2.27 135.00 136.46 1wir n PRO 82 Ca 0.15 0.11 0.05 0.00 -0.04 0.00 0.00 63.50 63.77 1wir n PRO 82 Cb 0.49 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.64 1wir n PRO 82 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1wir n TRP 83 N -1.22 0.21 -0.29 0.54 2.14 -1.26 -4.74 117.44 112.82 1wir n TRP 83 Ca 0.08 -1.40 -0.12 0.00 2.07 0.00 0.00 57.50 58.13 1wir n TRP 83 Cb 0.10 -0.27 0.06 0.00 -0.81 0.00 0.00 31.31 30.39 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 -1.16 1.59 -5.15 -2.67 1.02 -0.96 -4.74 120.64 108.57 1wir n GLU 84 Ca 0.21 -1.29 -0.29 0.00 -0.02 0.00 0.00 57.16 55.76 1wir n GLU 84 Cb 0.75 -1.51 -0.16 0.00 -0.02 0.00 0.00 31.44 30.50 1wir n GLU 84 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wir s LYS 85 N -1.46 2.13 0.15 3.49 -0.14 -1.26 -5.04 119.74 117.62 1wir s LYS 85 Ca 0.25 -0.82 -0.17 0.00 -1.36 0.00 0.00 55.97 53.87 1wir s LYS 85 Cb 0.20 -1.91 0.05 0.00 -1.68 0.00 0.00 37.83 34.49 1wir s LYS 85 CO 0.03 0.41 1.75 0.22 -0.76 0.00 0.00 175.35 177.00 1wir h ASP 86 N 5.87 0.11 -0.79 2.83 1.82 -2.02 -2.51 116.42 121.73 1wir h ASP 86 Ca -0.36 0.04 0.22 0.00 -0.39 0.00 0.00 57.03 56.54 1wir h ASP 86 Cb 1.15 0.03 -0.15 0.00 0.68 0.00 0.00 39.33 41.05 1wir h ASP 86 CO 0.47 0.10 0.04 -0.62 -1.61 0.00 0.00 179.24 177.62 1wir n GLU 87 N -5.03 -0.06 -0.25 0.28 1.02 -1.26 0.22 120.64 115.56 1wir n GLU 87 Ca 0.01 1.18 0.01 0.00 -0.02 0.00 0.00 57.16 58.34 1wir n GLU 87 Cb 0.13 -1.88 0.14 0.00 -0.02 0.00 0.00 31.44 29.80 1wir n GLU 87 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1wir h TYR 88 N 0.00 0.64 -0.86 -0.32 0.05 -1.81 -1.92 116.97 112.75 1wir h TYR 88 Ca 0.49 0.03 0.33 0.00 0.05 0.00 0.00 58.73 59.62 1wir h TYR 88 Cb 1.03 -0.18 -0.16 0.00 1.01 0.00 0.00 36.73 38.43 1wir h TYR 88 CO -0.38 0.24 0.33 1.28 -1.05 0.00 0.00 178.16 178.58 1wir n LEU 89 N -4.86 0.18 -4.78 3.88 4.77 0.58 -4.37 117.00 112.41 1wir n LEU 89 Ca 0.11 1.44 -0.41 0.00 -0.03 0.00 0.00 56.01 57.12 1wir n LEU 89 Cb 0.27 -0.65 -0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1wir n LEU 89 CO 0.25 -1.57 1.13 -0.54 -1.33 0.00 0.00 177.39 175.33 1wir s LYS 90 N -5.46 4.14 -0.62 3.23 1.02 -0.72 -4.85 119.74 116.47 1wir s LYS 90 Ca -0.09 2.53 -0.26 0.00 0.02 0.00 0.00 55.97 58.17 1wir s LYS 90 Cb 0.28 -2.98 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1wir s LYS 90 CO 0.67 -0.50 1.87 -1.25 -0.92 0.00 0.00 175.35 175.22 1wir s PRO 91 N -1.96 2.62 0.37 -1.68 0.04 -1.26 -4.85 135.00 128.28 1wir s PRO 91 Ca 0.53 0.59 0.17 0.00 0.04 0.00 0.00 61.00 62.33 1wir s PRO 91 Cb -0.46 -4.41 1.09 0.00 0.04 0.00 0.00 34.50 30.76 1wir s PRO 91 CO 0.61 -2.76 1.72 0.28 0.04 0.00 0.00 177.00 176.89 1wir h VAL 92 N 6.90 0.42 -4.92 -0.36 2.07 -1.90 -3.41 116.25 115.06 1wir h VAL 92 Ca -0.25 -0.13 -0.28 0.00 0.82 0.00 0.00 66.70 66.85 1wir h VAL 92 Cb 1.16 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1wir h VAL 92 CO 1.22 0.07 -0.13 0.18 0.02 0.00 0.00 177.57 178.93 1wir n LEU 93 N -4.80 0.00 -4.66 2.57 4.32 -1.26 -5.10 117.00 108.06 1wir n LEU 93 Ca 0.29 -1.41 -0.33 0.00 -0.02 0.00 0.00 56.01 54.54 1wir n LEU 93 Cb 0.94 -0.02 -0.09 0.00 -1.62 0.00 0.00 43.42 42.62 1wir n LEU 93 CO 0.19 -0.42 -0.33 -0.70 -1.22 0.00 0.00 177.39 174.91 1wir s GLU 94 N -3.11 2.78 -1.34 3.23 2.56 -1.26 -4.57 118.70 116.99 1wir s GLU 94 Ca 0.15 -0.59 -0.05 0.00 0.00 0.00 0.00 54.97 54.48 1wir s GLU 94 Cb -0.01 -2.66 0.02 0.00 2.00 0.00 0.00 34.13 33.48 1wir s GLU 94 CO 0.10 0.64 0.96 -3.47 -0.56 0.00 0.00 175.26 172.93 1wir n ASP 95 N 1.59 -3.48 -4.61 -1.70 -0.08 -1.26 -4.88 116.55 102.13 1wir n ASP 95 Ca -0.16 -0.69 -0.43 0.00 -1.51 0.00 0.00 54.79 52.01 1wir n ASP 95 Cb 0.53 -4.55 -0.02 0.00 2.34 0.00 0.00 41.12 39.42 1wir n ASP 95 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1wir s ASP 96 N -3.88 6.20 0.13 1.67 1.01 -1.26 -4.80 116.67 115.75 1wir s ASP 96 Ca 0.29 1.20 0.00 0.00 0.71 0.00 0.00 52.55 54.75 1wir s ASP 96 Cb -0.14 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.15 1wir s ASP 96 CO 0.77 -1.47 1.30 -0.07 0.21 0.00 0.00 175.17 175.91 1wir h LEU 97 N 12.55 0.30 -1.43 1.23 3.38 -1.91 -3.23 115.31 126.20 1wir h LEU 97 Ca -0.31 -0.27 0.15 0.00 0.09 0.00 0.00 57.88 57.53 1wir h LEU 97 Cb 1.14 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 1wir h LEU 97 CO 1.04 1.12 0.54 -0.07 0.09 0.00 0.00 178.44 181.17 1wir h LEU 98 N 0.10 0.52 -0.31 1.67 3.38 -1.96 -0.59 115.31 118.13 1wir h LEU 98 Ca -0.07 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 1wir h LEU 98 Cb 1.66 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.33 1wir h LEU 98 CO 0.15 0.27 -0.40 -0.07 0.09 0.00 0.00 178.44 178.49 1wir h LEU 99 N 0.56 0.88 -0.50 1.67 3.38 -1.97 -2.77 115.31 116.55 1wir h LEU 99 Ca 0.41 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1wir h LEU 99 Cb 0.79 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1wir h LEU 99 CO -0.16 1.20 0.00 0.00 0.09 0.00 0.00 178.44 179.57 1wir n GLN 100 N -4.14 1.18 -2.36 1.13 10.64 -0.32 -4.87 117.38 118.64 1wir n GLN 100 Ca -0.04 -0.21 -0.40 0.00 -1.83 0.00 0.00 57.00 54.52 1wir n GLN 100 Cb 0.54 -1.20 -0.04 0.00 -0.86 0.00 0.00 30.24 28.69 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 -1.69 3.41 -0.97 2.61 5.36 -0.67 -4.90 117.98 121.14 1wir s PHE 101 Ca 0.04 1.59 -0.20 0.00 -0.96 0.00 0.00 56.93 57.40 1wir s PHE 101 Cb 0.02 -3.41 -0.10 0.00 -0.34 0.00 0.00 43.02 39.19 1wir s PHE 101 CO 0.02 -0.99 1.99 -3.47 -1.46 0.00 0.00 175.22 171.31 1wir n ASP 102 N 1.23 2.92 0.26 6.13 -0.08 -1.26 -4.65 116.55 121.11 1wir n ASP 102 Ca -0.00 -2.72 0.12 0.00 -1.51 0.00 0.00 54.79 50.68 1wir n ASP 102 Cb 0.44 -1.29 0.73 0.00 2.34 0.00 0.00 41.12 43.34 1wir n ASP 102 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1wir h VAL 103 N 4.49 0.63 -0.98 5.18 3.04 -1.93 -2.81 116.25 123.87 1wir h VAL 103 Ca 0.45 -0.47 0.25 0.00 -1.01 0.00 0.00 66.70 65.92 1wir h VAL 103 Cb 0.68 1.29 -0.13 0.00 -2.01 0.00 0.00 31.29 31.13 1wir h VAL 103 CO 1.89 0.11 0.54 -0.33 -1.01 0.00 0.00 177.57 178.77 1wir h GLU 104 N 0.00 0.48 -1.03 4.17 5.08 -1.95 0.37 114.58 121.69 1wir h GLU 104 Ca -0.00 -0.03 0.26 0.00 -1.00 0.00 0.00 59.36 58.59 1wir h GLU 104 Cb 0.28 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.34 1wir h GLU 104 CO 0.01 0.32 0.68 0.22 -1.00 0.00 0.00 179.01 179.24 1wir h ASP 105 N 0.49 0.39 0.02 1.42 1.82 -1.90 0.54 116.42 119.20 1wir h ASP 105 Ca 0.64 0.07 -0.07 0.00 -0.39 0.00 0.00 57.03 57.28 1wir h ASP 105 Cb 1.26 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.26 1wir h ASP 105 CO -0.51 0.09 -0.20 -0.07 -1.61 0.00 0.00 179.24 176.94 1wir h LEU 106 N 0.35 0.32 -8.99 2.28 3.38 -0.47 -3.41 115.31 108.76 1wir h LEU 106 Ca 0.57 -0.09 -0.57 0.00 0.09 0.00 0.00 57.88 57.89 1wir h LEU 106 Cb 1.53 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 1wir h LEU 106 CO -0.25 0.53 1.15 -0.31 0.09 0.00 0.00 178.44 179.65 1wir s TYR 107 N -4.58 2.07 0.52 1.13 2.02 0.19 -4.98 117.35 113.71 1wir s TYR 107 Ca -0.06 0.57 -0.19 0.00 -0.37 0.00 0.00 57.07 57.02 1wir s TYR 107 Cb 0.15 -4.03 -0.07 0.00 -0.40 0.00 0.00 41.96 37.61 1wir s TYR 107 CO 0.76 -2.88 1.05 -1.83 -1.57 0.00 0.00 175.55 171.08 1wir s GLU 108 N 4.86 3.65 -1.14 -0.62 1.03 -1.26 -4.92 118.70 120.30 1wir s GLU 108 Ca 0.72 1.34 -0.23 0.00 0.03 0.00 0.00 54.97 56.84 1wir s GLU 108 Cb -0.24 -2.07 -0.08 0.00 -0.80 0.00 0.00 34.13 30.94 1wir s GLU 108 CO 0.30 -0.56 1.94 -1.25 -1.33 0.00 0.00 175.26 174.36 1wir s PRO 109 N -3.44 2.50 -0.12 -4.83 0.04 -1.26 -4.86 135.00 123.03 1wir s PRO 109 Ca 0.67 -1.03 -0.08 0.00 0.04 0.00 0.00 61.00 60.60 1wir s PRO 109 Cb -0.17 -5.22 0.04 0.00 0.04 0.00 0.00 34.50 29.20 1wir s PRO 109 CO 0.24 -3.90 0.29 0.54 0.04 0.00 0.00 177.00 174.22 1wir s VAL 110 N 10.89 -0.02 -1.48 -0.36 0.11 -1.26 -4.88 120.40 123.39 1wir s VAL 110 Ca 0.69 0.09 -0.07 0.00 -2.93 0.00 0.00 61.98 59.76 1wir s VAL 110 Cb -0.02 -0.44 0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1wir s VAL 110 CO 0.11 0.04 0.86 -1.20 -3.33 0.00 0.00 175.10 171.58 1wir n SER 111 N 3.84 -6.22 -3.74 3.54 7.64 -1.26 -4.99 113.62 112.43 1wir n SER 111 Ca -0.21 -0.40 -0.13 0.00 1.01 0.00 0.00 58.87 59.13 1wir n SER 111 Cb 0.55 -4.96 -0.10 0.00 -1.01 0.00 0.00 64.21 58.68 1wir n SER 111 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wir s THR 112 N -3.24 0.00 -2.00 0.44 -1.32 -1.26 -5.02 115.64 103.24 1wir s THR 112 Ca 0.43 -0.03 0.15 0.00 -1.21 0.00 0.00 61.69 61.03 1wir s THR 112 Cb -0.19 -0.54 0.42 0.00 -1.51 0.00 0.00 72.50 70.68 1wir s THR 112 CO 0.53 -0.02 1.31 -0.81 -2.21 0.00 0.00 174.62 173.43 1wir n PRO 113 N 2.76 0.49 -1.83 7.08 -0.04 -1.26 -4.62 135.00 137.58 1wir n PRO 113 Ca -0.14 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.11 1wir n PRO 113 Cb 0.57 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.48 1wir n PRO 113 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1wir s PHE 114 N -2.00 1.55 0.04 0.54 2.19 -1.26 -4.85 117.98 114.20 1wir s PHE 114 Ca 0.22 1.34 -0.08 0.00 0.33 0.00 0.00 56.93 58.75 1wir s PHE 114 Cb 0.10 -3.70 -0.00 0.00 -1.31 0.00 0.00 43.02 38.11 1wir s PHE 114 CO 0.17 -1.23 0.15 -1.54 1.83 0.00 0.00 175.22 174.60 1wir s SER 115 N 8.28 0.11 0.02 6.13 1.04 -1.26 -4.96 113.70 123.06 1wir s SER 115 Ca 0.77 -0.49 -0.10 0.00 0.48 0.00 0.00 55.95 56.62 1wir s SER 115 Cb -0.06 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.34 1wir s SER 115 CO 0.11 -0.56 0.20 -0.44 0.98 0.00 0.00 173.24 173.53 1wir s SER 116 N -2.22 -0.01 -0.48 7.02 0.01 -1.26 -5.12 113.70 111.63 1wir s SER 116 Ca -0.03 -0.23 0.07 0.00 1.31 0.00 0.00 55.95 57.06 1wir s SER 116 Cb -0.00 0.27 0.19 0.00 0.21 0.00 0.00 66.02 66.69 1wir s SER 116 CO -0.05 -0.48 0.72 -0.83 0.41 0.00 0.00 173.24 173.01 1wir s GLY 117 N -1.73 -1.29 -0.75 3.44 0.00 -1.26 -5.10 107.32 100.63 1wir s GLY 117 Ca -0.10 -0.19 -0.26 0.00 0.00 0.00 0.00 44.72 44.18 1wir s GLY 117 CO -0.01 3.70 1.90 2.56 0.00 0.00 0.00 173.10 181.25 1wir s PRO 118 N 1.15 2.59 0.04 2.90 0.04 -1.26 -4.96 135.00 135.50 1wir s PRO 118 Ca 0.26 0.18 -0.30 0.00 0.04 0.00 0.00 61.00 61.18 1wir s PRO 118 Cb -0.01 -4.71 -0.04 0.00 0.04 0.00 0.00 34.50 29.78 1wir s PRO 118 CO -0.06 -3.04 1.05 0.45 0.04 0.00 0.00 177.00 175.43 1wir s SER 119 N 8.09 7.29 0.01 6.66 0.15 -1.26 -5.02 113.70 129.62 1wir s SER 119 Ca 0.69 1.80 -0.28 0.00 0.70 0.00 0.00 55.95 58.86 1wir s SER 119 Cb -0.10 -2.58 0.09 0.00 -1.71 0.00 0.00 66.02 61.73 1wir s SER 119 CO 0.10 -0.30 0.81 -0.55 1.20 0.00 0.00 173.24 174.50 1wir s SER 120 N 0.88 -0.45 0.00 5.45 0.15 -1.26 -5.36 113.70 113.11 1wir s SER 120 Ca 0.53 0.13 0.21 0.00 0.70 0.00 0.00 55.95 57.53 1wir s SER 120 Cb -0.24 0.44 1.27 0.00 -1.71 0.00 0.00 66.02 65.78 1wir s SER 120 CO 0.29 -0.66 1.65 0.61 1.20 0.00 0.00 173.24 176.33