#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wir s SER 2 N 0.00 6.41 0.44 1.61 1.04 -1.26 -5.06 113.70 116.88 1wir s SER 2 Ca 0.00 0.46 -0.25 0.00 0.48 0.00 0.00 55.95 56.64 1wir s SER 2 Cb 0.00 -2.04 -0.08 0.00 0.10 0.00 0.00 66.02 64.01 1wir s SER 2 CO 0.00 -0.04 1.33 -0.94 0.98 0.00 0.00 173.24 174.57 1wir s SER 3 N -3.04 6.02 0.84 7.02 1.04 -1.26 -5.01 113.70 119.30 1wir s SER 3 Ca 0.39 2.71 0.00 0.00 0.48 0.00 0.00 55.95 59.53 1wir s SER 3 Cb -0.11 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1wir s SER 3 CO 0.28 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1wir n GLY 4 N 0.63 -2.77 3.91 7.32 0.00 -1.26 -5.03 105.19 107.99 1wir n GLY 4 Ca 0.05 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 1wir n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wir s SER 5 N -1.65 6.44 -0.29 1.61 1.04 -1.26 -5.10 113.70 114.50 1wir s SER 5 Ca 0.00 0.54 -0.25 0.00 0.48 0.00 0.00 55.95 56.73 1wir s SER 5 Cb 0.00 -2.07 0.14 0.00 0.10 0.00 0.00 66.02 64.19 1wir s SER 5 CO 0.00 -0.04 1.14 -0.94 0.98 0.00 0.00 173.24 174.38 1wir s SER 6 N -2.88 -0.35 0.19 7.02 1.04 -1.26 -5.19 113.70 112.28 1wir s SER 6 Ca 0.41 0.66 0.03 0.00 0.48 0.00 0.00 55.95 57.53 1wir s SER 6 Cb -0.11 0.69 -0.05 0.00 0.10 0.00 0.00 66.02 66.65 1wir s SER 6 CO 0.27 -0.11 -0.01 -0.83 0.98 0.00 0.00 173.24 173.54 1wir s GLY 7 N 0.22 1.34 -0.33 7.32 0.00 -1.26 -5.07 107.32 109.54 1wir s GLY 7 Ca 0.04 -1.65 0.15 0.00 0.00 0.00 0.00 44.72 43.26 1wir s GLY 7 CO -0.09 -1.59 1.06 -1.84 0.00 0.00 0.00 173.10 170.64 1wir n GLU 8 N -0.31 2.16 -2.25 2.90 0.28 -1.26 -5.10 120.64 117.06 1wir n GLU 8 Ca -0.06 -3.73 -0.41 0.00 -0.16 0.00 0.00 57.16 52.80 1wir n GLU 8 Cb 0.63 -1.71 -0.03 0.00 1.43 0.00 0.00 31.44 31.76 1wir n GLU 8 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1wir s PRO 9 N -3.45 4.46 0.77 3.44 0.04 -1.26 -5.03 135.00 133.96 1wir s PRO 9 Ca 0.35 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 63.34 1wir s PRO 9 Cb 0.40 -3.12 0.07 0.00 0.04 0.00 0.00 34.50 31.89 1wir s PRO 9 CO -0.03 -0.06 1.13 0.00 0.04 0.00 0.00 177.00 178.08 1wir s ALA 10 N -1.02 2.80 0.11 8.56 0.00 -1.26 -5.05 121.76 125.91 1wir s ALA 10 Ca 0.48 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1wir s ALA 10 Cb -0.37 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1wir s ALA 10 CO 0.47 -1.54 0.00 0.72 0.00 0.00 0.00 175.76 175.41 1wir n HIS 11 N -3.19 -0.37 -3.80 0.00 8.25 -1.26 -5.12 115.22 109.73 1wir n HIS 11 Ca 0.08 0.07 -0.13 0.00 -0.26 0.00 0.00 57.72 57.48 1wir n HIS 11 Cb 0.61 0.10 -0.09 0.00 1.12 0.00 0.00 29.99 31.72 1wir n HIS 11 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1wir s GLY 12 N -4.33 -0.09 0.17 -1.41 0.00 -1.26 -5.17 107.32 95.23 1wir s GLY 12 Ca 0.00 0.23 -0.17 0.00 0.00 0.00 0.00 44.72 44.78 1wir s GLY 12 CO 0.00 0.06 0.48 -1.60 0.00 0.00 0.00 173.10 172.05 1wir s ARG 13 N -1.14 1.27 -0.40 2.90 3.52 -1.26 -5.13 118.95 118.71 1wir s ARG 13 Ca -0.12 -0.80 -0.20 0.00 -0.13 0.00 0.00 55.73 54.48 1wir s ARG 13 Cb -0.06 0.51 0.01 0.00 -1.56 0.00 0.00 34.95 33.85 1wir s ARG 13 CO 0.03 -0.53 0.62 1.14 -0.81 0.00 0.00 175.30 175.75 1wir s GLN 14 N -3.85 3.46 0.08 5.12 -2.07 -1.26 -5.05 119.66 116.09 1wir s GLN 14 Ca 0.07 -0.20 0.06 0.00 -1.82 0.00 0.00 55.36 53.47 1wir s GLN 14 Cb 0.00 -3.88 -0.04 0.00 -1.09 0.00 0.00 33.01 28.00 1wir s GLN 14 CO -0.06 -0.87 -0.09 -1.01 -1.32 0.00 0.00 175.29 171.94 1wir s HIS 15 N 2.72 2.78 -0.12 9.60 3.76 -1.26 -4.64 115.29 128.13 1wir s HIS 15 Ca 0.23 -0.13 0.02 0.00 -0.15 0.00 0.00 55.06 55.03 1wir s HIS 15 Cb -0.14 -1.48 -0.00 0.00 1.11 0.00 0.00 32.58 32.06 1wir s HIS 15 CO 0.17 0.40 -0.21 -0.08 -0.85 0.00 0.00 174.74 174.18 1wir s THR 16 N -1.15 2.31 0.91 1.30 -1.32 0.81 -4.83 115.64 113.66 1wir s THR 16 Ca 0.20 -0.92 -0.12 0.00 -1.21 0.00 0.00 61.69 59.65 1wir s THR 16 Cb -0.11 -1.92 0.13 0.00 -1.51 0.00 0.00 72.50 69.10 1wir s THR 16 CO 0.12 0.55 1.09 -2.16 -2.21 0.00 0.00 174.62 172.01 1wir s PRO 17 N 0.51 1.18 0.60 7.08 0.04 -1.26 -1.31 135.00 141.83 1wir s PRO 17 Ca -0.13 0.79 -0.10 0.00 0.04 0.00 0.00 61.00 61.59 1wir s PRO 17 Cb -0.17 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1wir s PRO 17 CO 0.05 -2.29 1.00 0.00 0.04 0.00 0.00 177.00 175.80 1wir h LEU 19 N -0.24 0.44 0.09 0.00 -0.00 -1.93 -3.39 115.31 110.29 1wir h LEU 19 Ca -0.44 -0.89 -0.15 0.00 -0.00 0.00 0.00 57.88 56.39 1wir h LEU 19 Cb 1.19 -0.14 0.01 0.00 -0.00 0.00 0.00 40.66 41.72 1wir h LEU 19 CO 0.62 1.55 -0.70 -0.26 -0.00 0.00 0.00 178.44 179.65 1wir h PHE 20 N -0.30 0.35 -4.98 1.13 0.04 -1.91 -3.42 116.94 107.86 1wir h PHE 20 Ca -0.24 -0.26 -0.32 0.00 2.80 0.00 0.00 57.97 59.95 1wir h PHE 20 Cb 1.75 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.86 1wir h PHE 20 CO 0.15 1.27 -0.16 0.00 -0.60 0.00 0.00 178.31 178.98 1wir n ASP 22 N -1.87 6.66 -4.73 0.00 8.00 -1.26 -3.63 116.55 119.72 1wir n ASP 22 Ca -0.02 -3.78 -0.38 0.00 0.71 0.00 0.00 54.79 51.33 1wir n ASP 22 Cb 0.34 -0.74 -0.06 0.00 -0.02 0.00 0.00 41.12 40.64 1wir n ASP 22 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1wir s ARG 23 N -3.75 4.33 0.17 -1.24 0.52 -1.26 -4.77 118.95 112.95 1wir s ARG 23 Ca 0.59 0.45 -0.13 0.00 -0.52 0.00 0.00 55.73 56.13 1wir s ARG 23 Cb 0.47 -3.43 -0.07 0.00 0.52 0.00 0.00 34.95 32.44 1wir s ARG 23 CO 0.00 0.18 0.55 -0.51 0.02 0.00 0.00 175.30 175.54 1wir s LEU 24 N 0.55 4.28 0.11 2.53 1.43 -1.26 0.32 118.68 126.64 1wir s LEU 24 Ca 0.26 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.39 1wir s LEU 24 Cb -0.15 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 1wir s LEU 24 CO 0.10 0.05 -0.01 -0.36 0.23 0.00 0.00 176.35 176.36 1wir s PHE 25 N -1.58 0.84 -0.03 0.29 0.40 -0.43 -4.93 117.98 112.54 1wir s PHE 25 Ca 0.41 -1.07 -0.22 0.00 -0.60 0.00 0.00 56.93 55.45 1wir s PHE 25 Cb -0.14 -0.50 -0.15 0.00 0.51 0.00 0.00 43.02 42.74 1wir s PHE 25 CO 0.20 -0.33 0.96 0.00 0.70 0.00 0.00 175.22 176.74 1wir h ALA 26 N 2.94 -0.32 -2.01 5.36 0.00 -1.86 0.23 119.26 123.60 1wir h ALA 26 Ca -0.35 -0.20 -0.51 0.00 0.00 0.00 0.00 54.91 53.85 1wir h ALA 26 Cb 1.17 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 1wir h ALA 26 CO 0.63 -0.41 -0.65 -1.12 0.00 0.00 0.00 179.25 177.71 1wir s SER 27 N -5.29 2.80 0.10 0.00 0.01 -1.26 -4.34 113.70 105.72 1wir s SER 27 Ca -0.13 -1.27 -0.30 0.00 1.31 0.00 0.00 55.95 55.56 1wir s SER 27 Cb 0.01 -0.18 -0.13 0.00 0.21 0.00 0.00 66.02 65.94 1wir s SER 27 CO 0.47 -0.43 1.62 0.00 0.41 0.00 0.00 173.24 175.31 1wir h ALA 28 N 2.16 -0.70 -0.85 1.44 0.00 -1.91 -3.02 119.26 116.38 1wir h ALA 28 Ca -0.41 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.47 1wir h ALA 28 Cb 1.24 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 19.39 1wir h ALA 28 CO 0.70 -0.93 -0.50 0.39 0.00 0.00 0.00 179.25 178.91 1wir n GLU 29 N -5.44 -0.37 -0.38 0.00 -0.58 -1.26 -0.37 120.64 112.23 1wir n GLU 29 Ca -0.09 1.34 -0.05 0.00 -0.42 0.00 0.00 57.16 57.93 1wir n GLU 29 Cb 0.34 -1.97 -0.02 0.00 -0.57 0.00 0.00 31.44 29.23 1wir n GLU 29 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1wir h GLU 30 N 0.00 -0.02 0.21 3.49 3.07 -1.96 -0.30 114.58 119.07 1wir h GLU 30 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1wir h GLU 30 Cb 0.35 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 1wir h GLU 30 CO -0.80 -0.01 -0.37 1.15 -1.40 0.00 0.00 179.01 177.57 1wir h THR 31 N -0.02 0.00 -0.81 1.13 2.02 -0.69 -0.04 112.91 114.51 1wir h THR 31 Ca 0.27 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.54 1wir h THR 31 Cb 0.53 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.82 1wir h THR 31 CO -0.95 0.00 -0.52 -0.26 0.37 0.00 0.00 175.52 174.16 1wir h PHE 32 N -0.62 -1.60 -1.00 3.16 0.04 -0.41 0.49 116.94 117.00 1wir h PHE 32 Ca -0.02 0.11 0.14 0.00 2.80 0.00 0.00 57.97 60.99 1wir h PHE 32 Cb 0.58 0.81 -0.09 0.00 2.20 0.00 0.00 35.95 39.45 1wir h PHE 32 CO -0.32 -0.41 0.63 1.03 -0.60 0.00 0.00 178.31 178.64 1wir h SER 33 N -0.12 0.89 -0.38 2.17 0.87 -0.89 -0.34 113.55 115.76 1wir h SER 33 Ca 0.18 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 1wir h SER 33 Cb 0.51 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1wir h SER 33 CO -0.84 0.44 0.20 -0.74 -0.53 0.00 0.00 176.83 175.36 1wir h HIS 34 N 0.94 0.53 0.00 2.24 -0.00 0.19 -2.10 115.15 116.95 1wir h HIS 34 Ca 0.52 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.83 1wir h HIS 34 Cb 0.58 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.82 1wir h HIS 34 CO -0.01 0.43 -0.19 0.00 -0.00 0.00 0.00 177.93 178.16 1wir h LYS 36 N 0.00 0.00 0.00 0.00 1.57 -0.45 1.39 116.57 119.08 1wir h LYS 36 Ca -0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 1wir h LYS 36 Cb 0.53 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1wir h LYS 36 CO 0.02 0.00 -1.52 1.28 -0.57 0.00 0.00 179.45 178.66 1wir n LEU 37 N -2.94 1.91 -0.03 2.94 4.77 -0.78 -3.67 117.00 119.19 1wir n LEU 37 Ca 0.03 0.40 -0.02 0.00 -0.03 0.00 0.00 56.01 56.39 1wir n LEU 37 Cb 0.43 -0.95 -0.01 0.00 -2.33 0.00 0.00 43.42 40.57 1wir n LEU 37 CO 0.31 0.35 -0.13 -0.33 -1.33 0.00 0.00 177.39 176.25 1wir h GLU 38 N -0.96 0.00 0.00 3.23 5.08 -1.46 -3.37 114.58 117.10 1wir h GLU 38 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1wir h GLU 38 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1wir h GLU 38 CO -0.24 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.49 1wir n HIS 39 N -3.29 0.00 -4.07 4.33 8.25 -0.28 -4.84 115.22 115.33 1wir n HIS 39 Ca -0.03 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.10 1wir n HIS 39 Cb 0.10 -0.09 -0.06 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.09 -1.14 -4.98 -0.41 10.64 0.46 -4.85 117.38 116.01 1wir n GLN 40 Ca 0.12 0.11 -0.32 0.00 -1.83 0.00 0.00 57.00 55.07 1wir n GLN 40 Cb 0.08 -4.53 -0.15 0.00 -0.86 0.00 0.00 30.24 24.78 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 -2.94 2.69 -0.12 2.61 5.36 -0.08 -4.88 117.98 120.62 1wir s PHE 41 Ca 0.66 -0.77 -0.04 0.00 -0.96 0.00 0.00 56.93 55.82 1wir s PHE 41 Cb -0.38 -1.77 -0.03 0.00 -0.34 0.00 0.00 43.02 40.49 1wir s PHE 41 CO 0.81 -0.27 0.03 1.21 -1.46 0.00 0.00 175.22 175.54 1wir s ASN 42 N 0.26 5.43 -0.16 6.13 3.04 -1.26 -3.19 114.94 125.19 1wir s ASN 42 Ca -0.12 0.15 -0.25 0.00 0.04 0.00 0.00 52.86 52.68 1wir s ASN 42 Cb -0.16 -1.69 -0.24 0.00 -1.54 0.00 0.00 41.25 37.62 1wir s ASN 42 CO 0.07 0.32 0.57 -0.29 -3.04 0.00 0.00 177.10 174.73 1wir h ILE 43 N 4.38 1.42 -0.74 -5.21 6.09 -2.00 -3.34 117.51 118.10 1wir h ILE 43 Ca -0.47 -2.31 0.17 0.00 -1.37 0.00 0.00 64.86 60.88 1wir h ILE 43 Cb 1.19 2.93 -0.12 0.00 0.47 0.00 0.00 36.82 41.29 1wir h ILE 43 CO 0.59 0.52 0.13 -0.78 -3.07 0.00 0.00 178.15 175.54 1wir h ASP 44 N -0.90 -0.08 -0.93 2.19 3.58 -2.00 0.24 116.42 118.51 1wir h ASP 44 Ca -0.15 0.16 0.14 0.00 0.42 0.00 0.00 57.03 57.60 1wir h ASP 44 Cb 1.21 0.24 -0.08 0.00 1.72 0.00 0.00 39.33 42.42 1wir h ASP 44 CO -0.06 -0.08 0.59 -1.28 -2.88 0.00 0.00 179.24 175.53 1wir h SER 45 N 0.22 0.73 -0.39 2.28 0.87 -2.01 -0.99 113.55 114.26 1wir h SER 45 Ca 0.42 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.98 1wir h SER 45 Cb 0.73 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 1wir h SER 45 CO -0.55 0.36 0.06 0.24 -0.53 0.00 0.00 176.83 176.41 1wir h MET 46 N 0.77 0.65 -0.62 2.24 2.86 -0.66 0.15 114.93 120.32 1wir h MET 46 Ca 0.48 -0.18 0.07 0.00 -2.06 0.00 0.00 59.70 58.00 1wir h MET 46 Cb 0.69 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 1wir h MET 46 CO -0.24 0.71 0.41 0.28 1.06 0.00 0.00 176.91 179.13 1wir h VAL 47 N 0.50 0.99 0.19 -2.22 2.07 -0.72 -1.69 116.25 115.36 1wir h VAL 47 Ca 0.12 -0.20 -0.33 0.00 0.82 0.00 0.00 66.70 67.11 1wir h VAL 47 Cb 0.37 0.34 0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1wir h VAL 47 CO 0.01 0.11 -1.56 0.45 0.02 0.00 0.00 177.57 176.60 1wir h HIS 48 N 0.59 0.73 0.02 1.57 3.86 -1.16 -0.28 115.15 120.48 1wir h HIS 48 Ca 0.27 -0.53 -0.00 0.00 -1.16 0.00 0.00 60.37 58.95 1wir h HIS 48 Cb 0.31 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 1wir h HIS 48 CO -0.00 1.53 -0.01 -0.22 0.86 0.00 0.00 177.93 180.09 1wir h LYS 49 N 0.11 -0.03 -0.86 2.45 3.11 -0.09 -2.83 116.57 118.43 1wir h LYS 49 Ca -0.27 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.57 1wir h LYS 49 Cb 2.09 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 33.33 1wir h LYS 49 CO 0.21 -0.02 0.00 0.72 -2.81 0.00 0.00 179.45 177.55 1wir n HIS 50 N -2.21 0.43 -4.32 1.91 8.25 -0.69 -4.86 115.22 113.72 1wir n HIS 50 Ca -0.00 -0.15 -0.38 0.00 -0.26 0.00 0.00 57.72 56.92 1wir n HIS 50 Cb 0.01 -0.18 -0.07 0.00 1.12 0.00 0.00 29.99 30.87 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 0.18 -0.41 3.37 -1.41 0.00 -0.96 -4.82 105.19 101.14 1wir n GLY 51 Ca 0.06 0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.88 -0.81 0.00 0.99 4.77 -0.15 -4.97 117.00 112.94 1wir n LEU 52 Ca 0.11 0.46 -0.11 0.00 -0.03 0.00 0.00 56.01 56.44 1wir n LEU 52 Cb 0.45 -1.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.39 1wir n LEU 52 CO 0.87 -3.82 -0.07 -1.84 -1.33 0.00 0.00 177.39 171.20 1wir n GLU 53 N -0.37 0.93 -0.22 3.23 -0.00 -1.26 -4.77 120.64 118.18 1wir n GLU 53 Ca 0.07 -1.44 -0.06 0.00 -0.00 0.00 0.00 57.16 55.74 1wir n GLU 53 Cb 0.52 0.70 -0.05 0.00 -0.00 0.00 0.00 31.44 32.60 1wir n GLU 53 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1wir n PHE 54 N -0.40 -0.23 0.01 -1.84 7.35 -1.26 -0.05 117.46 121.04 1wir n PHE 54 Ca -0.04 0.64 -0.11 0.00 -0.76 0.00 0.00 57.45 57.19 1wir n PHE 54 Cb 0.25 -0.50 -0.08 0.00 0.35 0.00 0.00 39.48 39.50 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 -0.12 -0.86 -5.13 0.05 -2.00 -3.26 116.97 105.64 1wir h TYR 55 Ca 0.08 -0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.98 1wir h TYR 55 Cb 0.21 0.04 -0.13 0.00 1.01 0.00 0.00 36.73 37.86 1wir h TYR 55 CO -0.67 0.40 -0.36 0.41 -1.05 0.00 0.00 178.16 176.89 1wir n GLY 56 N 0.89 -1.86 0.28 3.88 0.00 -0.59 1.00 105.19 108.79 1wir n GLY 56 Ca -0.08 0.98 0.02 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 0.69 -0.48 1.61 3.20 -0.58 -1.63 116.97 119.77 1wir h TYR 57 Ca 0.28 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.23 1wir h TYR 57 Cb 0.49 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.52 1wir h TYR 57 CO -0.78 0.25 0.20 0.82 -1.64 0.00 0.00 178.16 177.02 1wir h ILE 58 N 0.64 0.89 -0.76 1.81 2.04 0.60 -1.81 117.51 120.93 1wir h ILE 58 Ca 0.36 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 66.06 1wir h ILE 58 Cb 0.37 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1wir h ILE 58 CO -0.27 0.07 0.38 0.11 0.00 0.00 0.00 178.15 178.44 1wir h LYS 59 N 0.40 1.08 -0.72 2.37 1.57 -0.40 -2.42 116.57 118.44 1wir h LYS 59 Ca 0.22 -0.14 0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1wir h LYS 59 Cb 0.19 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 1wir h LYS 59 CO -0.20 0.82 0.40 1.25 -0.57 0.00 0.00 179.45 181.15 1wir h LEU 60 N 1.07 0.57 0.34 2.94 7.12 -0.48 0.24 115.31 127.12 1wir h LEU 60 Ca 0.26 0.04 -0.02 0.00 0.13 0.00 0.00 57.88 58.30 1wir h LEU 60 Cb 0.09 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.15 1wir h LEU 60 CO -0.04 0.35 -0.16 0.40 -0.13 0.00 0.00 178.44 178.86 1wir h ILE 61 N 0.71 0.00 -1.02 4.05 1.08 -1.09 -3.14 117.51 118.10 1wir h ILE 61 Ca 0.34 -0.17 0.25 0.00 -0.39 0.00 0.00 64.86 64.88 1wir h ILE 61 Cb 0.26 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.91 1wir h ILE 61 CO -0.22 0.00 0.63 0.78 -0.69 0.00 0.00 178.15 178.66 1wir h ASN 62 N -0.63 0.57 -0.41 1.72 2.35 -1.40 -0.55 115.58 117.23 1wir h ASN 62 Ca -0.05 0.10 0.09 0.00 -0.55 0.00 0.00 56.30 55.89 1wir h ASN 62 Cb 0.35 0.01 -0.09 0.00 0.05 0.00 0.00 38.32 38.64 1wir h ASN 62 CO 0.08 0.11 -0.20 0.15 -1.65 0.00 0.00 177.43 175.92 1wir h PHE 63 N 0.50 -0.52 0.00 1.19 3.57 -0.52 0.25 116.94 121.41 1wir h PHE 63 Ca 0.61 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 62.12 1wir h PHE 63 Cb 1.34 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 40.36 1wir h PHE 63 CO -0.00 -0.29 -0.19 0.82 -2.23 0.00 0.00 178.31 176.42 1wir h ILE 64 N -0.13 0.71 -0.14 1.41 2.04 -1.06 0.30 117.51 120.63 1wir h ILE 64 Ca 0.20 -0.82 -0.19 0.00 1.00 0.00 0.00 64.86 65.05 1wir h ILE 64 Cb 0.44 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1wir h ILE 64 CO -0.49 0.19 -0.70 0.03 0.00 0.00 0.00 178.15 177.18 1wir h ARG 65 N 0.00 0.61 0.00 2.37 2.47 -0.25 -0.91 114.38 118.67 1wir h ARG 65 Ca -0.00 -0.47 -0.07 0.00 -1.26 0.00 0.00 59.98 58.18 1wir h ARG 65 Cb 0.50 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 1wir h ARG 65 CO 0.03 1.09 -0.58 1.25 0.56 0.00 0.00 179.97 182.31 1wir h LEU 66 N 0.43 0.00 0.55 3.04 6.46 -0.48 -3.41 115.31 121.91 1wir h LEU 66 Ca -0.03 -0.24 -0.03 0.00 -0.12 0.00 0.00 57.88 57.46 1wir h LEU 66 Cb 1.30 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.23 1wir h LEU 66 CO 0.13 0.94 -0.27 0.11 -0.62 0.00 0.00 178.44 178.74 1wir h LYS 67 N -1.00 -0.71 -2.84 1.25 1.79 -0.57 -3.48 116.57 111.00 1wir h LYS 67 Ca -0.10 0.05 -0.11 0.00 -2.18 0.00 0.00 60.65 58.31 1wir h LYS 67 Cb 0.69 0.16 0.05 0.00 -1.58 0.00 0.00 32.23 31.56 1wir h LYS 67 CO -0.06 -0.41 -0.22 -1.71 -1.08 0.00 0.00 179.45 175.97 1wir n ASN 68 N -5.33 -2.60 -2.53 0.86 2.85 -0.35 -5.03 115.26 103.13 1wir n ASN 68 Ca -0.12 -0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.18 1wir n ASN 68 Cb 0.33 -1.91 0.00 0.00 1.24 0.00 0.00 39.78 39.44 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 -1.93 -0.99 -4.35 1.20 -0.04 -1.26 -5.07 135.00 122.55 1wir n PRO 69 Ca -0.05 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.14 1wir n PRO 69 Cb 0.54 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.98 2.69 0.11 0.52 -1.32 -1.26 -4.91 115.64 110.49 1wir s THR 70 Ca 0.00 -1.78 -0.24 0.00 -1.21 0.00 0.00 61.69 58.46 1wir s THR 70 Cb 0.00 -2.28 -0.07 0.00 -1.51 0.00 0.00 72.50 68.64 1wir s THR 70 CO 0.00 -0.05 1.41 0.58 -2.21 0.00 0.00 174.62 174.36 1wir h VAL 71 N 3.22 0.00 -0.83 5.08 2.07 -1.98 0.28 116.25 124.08 1wir h VAL 71 Ca -0.48 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.34 1wir h VAL 71 Cb 1.19 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.81 1wir h VAL 71 CO 0.48 0.00 0.26 1.21 0.02 0.00 0.00 177.57 179.54 1wir n GLU 72 N -4.72 -0.06 -0.05 1.57 0.00 -1.26 0.19 120.64 116.31 1wir n GLU 72 Ca -0.00 1.19 -0.15 0.00 0.00 0.00 0.00 57.16 58.20 1wir n GLU 72 Cb 0.22 -2.03 -0.07 0.00 0.00 0.00 0.00 31.44 29.57 1wir n GLU 72 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 1wir h TYR 73 N 0.00 0.82 -0.25 4.31 5.03 -0.85 -2.91 116.97 123.11 1wir h TYR 73 Ca 0.62 -0.31 0.07 0.00 2.58 0.00 0.00 58.73 61.69 1wir h TYR 73 Cb 1.51 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 39.64 1wir h TYR 73 CO -0.19 1.09 0.25 0.52 -1.32 0.00 0.00 178.16 178.51 1wir h MET 74 N 0.31 0.00 0.00 1.82 2.86 0.34 0.16 114.93 120.42 1wir h MET 74 Ca -0.00 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.48 1wir h MET 74 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 1wir h MET 74 CO 0.10 0.00 -0.98 -0.91 1.06 0.00 0.00 176.91 176.18 1wir h ASN 75 N 0.00 0.00 -3.38 1.22 2.35 -1.10 -3.39 115.58 111.28 1wir h ASN 75 Ca 0.12 0.00 -0.74 0.00 -0.55 0.00 0.00 56.30 55.13 1wir h ASN 75 Cb 0.63 0.00 -0.33 0.00 0.05 0.00 0.00 38.32 38.67 1wir h ASN 75 CO -0.00 0.62 0.13 -1.54 -1.65 0.00 0.00 177.43 174.98 1wir n SER 76 N -3.10 4.74 -4.38 5.81 3.41 0.55 -5.03 113.62 115.62 1wir n SER 76 Ca -0.04 -3.11 -0.19 0.00 -0.26 0.00 0.00 58.87 55.27 1wir n SER 76 Cb 0.82 -1.17 -0.10 0.00 -0.26 0.00 0.00 64.21 63.49 1wir n SER 76 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wir s ILE 77 N -1.40 1.57 0.15 -1.33 1.01 -1.25 -4.88 121.20 115.08 1wir s ILE 77 Ca 0.29 -2.14 -0.23 0.00 0.00 0.00 0.00 60.65 58.58 1wir s ILE 77 Cb -0.08 -2.26 0.07 0.00 0.01 0.00 0.00 42.46 40.21 1wir s ILE 77 CO -0.10 -0.44 0.58 -0.72 0.00 0.00 0.00 174.94 174.26 1wir s TYR 78 N -3.07 -0.51 0.24 3.97 1.13 -1.26 -5.12 117.35 112.73 1wir s TYR 78 Ca 0.26 0.30 -0.23 0.00 -1.41 0.00 0.00 57.07 56.00 1wir s TYR 78 Cb 0.02 0.53 -0.09 0.00 -1.10 0.00 0.00 41.96 41.33 1wir s TYR 78 CO 0.09 -0.83 0.80 -0.80 -2.51 0.00 0.00 175.55 172.29 1wir s ASN 79 N -2.73 7.20 0.13 -0.18 -0.87 -1.26 -2.79 114.94 114.44 1wir s ASN 79 Ca 0.01 1.58 -0.31 0.00 -1.57 0.00 0.00 52.86 52.57 1wir s ASN 79 Cb -0.01 -2.48 -0.08 0.00 -0.02 0.00 0.00 41.25 38.66 1wir s ASN 79 CO -0.13 0.04 1.35 -2.16 -2.57 0.00 0.00 177.10 173.63 1wir s PRO 80 N -1.84 4.35 0.65 -0.60 0.04 -1.26 -5.11 135.00 131.23 1wir s PRO 80 Ca 0.44 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.34 1wir s PRO 80 Cb -0.18 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 1wir s PRO 80 CO 0.23 -0.37 0.87 1.33 0.04 0.00 0.00 177.00 179.09 1wir n VAL 81 N 3.59 3.15 0.74 -0.36 0.24 -1.12 -4.85 118.33 119.72 1wir n VAL 81 Ca 0.10 -0.45 0.07 0.00 -2.04 0.00 0.00 64.34 62.02 1wir n VAL 81 Cb 0.43 -1.04 0.38 0.00 -1.47 0.00 0.00 33.84 32.15 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 -1.14 0.25 -0.43 7.34 -0.04 -1.26 -2.18 135.00 137.53 1wir n PRO 82 Ca 0.13 0.13 0.06 0.00 -0.04 0.00 0.00 63.50 63.77 1wir n PRO 82 Cb 0.48 -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 -1.25 0.45 0.29 0.54 2.14 -1.26 -4.69 117.44 113.66 1wir n TRP 83 Ca 0.08 -1.22 -0.06 0.00 2.07 0.00 0.00 57.50 58.37 1wir n TRP 83 Cb 0.11 -0.29 0.07 0.00 -0.81 0.00 0.00 31.31 30.40 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 -1.09 1.56 -3.81 -2.67 1.02 -0.93 -4.70 120.64 110.03 1wir n GLU 84 Ca 0.22 -1.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.01 1wir n GLU 84 Cb 0.80 -1.45 -0.05 0.00 -0.02 0.00 0.00 31.44 30.71 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 -1.17 3.54 0.22 3.49 -0.14 -1.26 -5.00 119.74 119.41 1wir s LYS 85 Ca 0.19 -0.12 -0.04 0.00 -1.36 0.00 0.00 55.97 54.64 1wir s LYS 85 Cb 0.15 -3.11 0.21 0.00 -1.68 0.00 0.00 37.83 33.40 1wir s LYS 85 CO 0.04 0.69 1.64 -0.44 -0.76 0.00 0.00 175.35 176.51 1wir h ASP 86 N 4.20 0.76 -0.99 2.83 5.19 -2.02 -2.98 116.42 123.42 1wir h ASP 86 Ca -0.51 -0.27 0.12 0.00 -0.62 0.00 0.00 57.03 55.74 1wir h ASP 86 Cb 1.20 -0.21 -0.08 0.00 0.18 0.00 0.00 39.33 40.42 1wir h ASP 86 CO 0.65 0.96 0.62 -0.33 -3.12 0.00 0.00 179.24 178.02 1wir h GLU 87 N 0.66 0.96 -0.93 3.56 4.39 -1.98 -0.68 114.58 120.56 1wir h GLU 87 Ca 0.09 -0.06 0.15 0.00 0.34 0.00 0.00 59.36 59.89 1wir h GLU 87 Cb 0.72 -0.22 -0.08 0.00 -0.10 0.00 0.00 28.75 29.08 1wir h GLU 87 CO 0.06 0.64 0.59 1.88 -1.16 0.00 0.00 179.01 181.02 1wir h TYR 88 N 0.99 0.89 -1.03 4.33 0.05 -1.88 -1.55 116.97 118.78 1wir h TYR 88 Ca 0.49 0.03 0.41 0.00 0.05 0.00 0.00 58.73 59.70 1wir h TYR 88 Cb 0.46 -0.28 -0.16 0.00 1.01 0.00 0.00 36.73 37.76 1wir h TYR 88 CO -0.01 0.30 0.59 1.28 -1.05 0.00 0.00 178.16 179.27 1wir n LEU 89 N -4.60 0.29 -4.76 3.88 4.77 -0.26 -4.32 117.00 112.01 1wir n LEU 89 Ca 0.19 1.48 -0.41 0.00 -0.03 0.00 0.00 56.01 57.25 1wir n LEU 89 Cb 0.49 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1wir n LEU 89 CO 0.28 -1.65 0.93 -0.54 -1.33 0.00 0.00 177.39 175.08 1wir s LYS 90 N -5.35 4.44 -0.45 3.23 3.01 -0.59 -4.88 119.74 119.16 1wir s LYS 90 Ca -0.08 2.06 -0.28 0.00 -1.01 0.00 0.00 55.97 56.66 1wir s LYS 90 Cb 0.31 -3.14 -0.02 0.00 -1.01 0.00 0.00 37.83 33.98 1wir s LYS 90 CO 0.74 -0.10 1.77 -1.25 0.51 0.00 0.00 175.35 177.01 1wir s PRO 91 N -1.21 3.10 0.42 -1.68 0.04 -1.26 -4.86 135.00 129.55 1wir s PRO 91 Ca 0.50 1.05 0.22 0.00 0.04 0.00 0.00 61.00 62.81 1wir s PRO 91 Cb -0.37 -4.25 1.20 0.00 0.04 0.00 0.00 34.50 31.13 1wir s PRO 91 CO 0.45 -2.15 1.75 0.28 0.04 0.00 0.00 177.00 177.37 1wir h VAL 92 N 6.79 0.44 -0.15 -0.36 2.07 -1.90 -3.42 116.25 119.72 1wir h VAL 92 Ca -0.30 -0.10 -0.68 0.00 0.82 0.00 0.00 66.70 66.44 1wir h VAL 92 Cb 1.16 0.11 -0.12 0.00 -1.52 0.00 0.00 31.29 30.91 1wir h VAL 92 CO 1.11 0.06 -0.48 -0.76 0.02 0.00 0.00 177.57 177.51 1wir s LEU 93 N -9.51 2.22 0.34 2.57 1.02 -1.26 -5.10 118.68 108.96 1wir s LEU 93 Ca -0.08 -1.68 0.05 0.00 0.02 0.00 0.00 54.13 52.44 1wir s LEU 93 Cb 0.26 -0.73 -0.01 0.00 0.02 0.00 0.00 46.19 45.73 1wir s LEU 93 CO 0.80 -0.95 0.50 -0.70 0.02 0.00 0.00 176.35 176.03 1wir s GLU 94 N -3.94 3.17 -1.36 1.70 2.56 -1.26 -4.46 118.70 115.11 1wir s GLU 94 Ca 0.03 -0.85 -0.09 0.00 0.00 0.00 0.00 54.97 54.07 1wir s GLU 94 Cb -0.00 -2.77 0.09 0.00 2.00 0.00 0.00 34.13 33.44 1wir s GLU 94 CO 0.02 0.05 0.21 -0.40 -0.56 0.00 0.00 175.26 174.58 1wir n ASP 95 N -1.70 -0.23 -4.56 -1.70 5.68 -1.26 -4.74 116.55 108.04 1wir n ASP 95 Ca -0.01 -1.01 -0.39 0.00 -0.50 0.00 0.00 54.79 52.87 1wir n ASP 95 Cb 0.58 -1.27 -0.03 0.00 -1.14 0.00 0.00 41.12 39.26 1wir n ASP 95 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1wir s ASP 96 N -3.52 5.38 0.21 -1.12 -1.08 -1.26 -4.82 116.67 110.47 1wir s ASP 96 Ca 0.30 0.61 -0.06 0.00 -0.52 0.00 0.00 52.55 52.87 1wir s ASP 96 Cb -0.17 -2.53 0.17 0.00 -1.46 0.00 0.00 42.92 38.93 1wir s ASP 96 CO 0.81 -2.24 1.68 -0.07 0.52 0.00 0.00 175.17 175.87 1wir h LEU 97 N 15.91 0.93 -2.02 -1.34 3.38 -1.90 -2.51 115.31 127.77 1wir h LEU 97 Ca -0.28 -0.26 0.09 0.00 0.09 0.00 0.00 57.88 57.52 1wir h LEU 97 Cb 1.17 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1wir h LEU 97 CO 1.17 1.00 0.22 -0.07 0.09 0.00 0.00 178.44 180.85 1wir h LEU 98 N 0.87 0.00 0.06 1.67 3.38 -1.95 0.15 115.31 119.49 1wir h LEU 98 Ca 0.16 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 1wir h LEU 98 Cb 0.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1wir h LEU 98 CO 0.03 0.00 -0.60 -0.07 0.09 0.00 0.00 178.44 177.89 1wir h LEU 99 N 0.00 0.42 -1.17 1.67 4.07 -1.86 -3.24 115.31 115.21 1wir h LEU 99 Ca 0.14 -0.87 0.00 0.00 0.08 0.00 0.00 57.88 57.24 1wir h LEU 99 Cb 0.59 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1wir h LEU 99 CO -0.00 1.25 0.00 0.06 -1.08 0.00 0.00 178.44 178.66 1wir h GLN 100 N -0.34 0.00 -6.14 1.13 3.07 -1.09 -3.45 115.11 108.28 1wir h GLN 100 Ca -0.09 0.00 -0.74 0.00 0.09 0.00 0.00 58.65 57.90 1wir h GLN 100 Cb 1.39 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.97 1wir h GLN 100 CO 0.12 0.00 0.84 0.34 0.09 0.00 0.00 178.83 180.21 1wir n PHE 101 N -2.77 1.97 -1.61 0.06 7.35 0.46 -4.72 117.46 118.20 1wir n PHE 101 Ca 0.01 0.60 -0.15 0.00 -0.76 0.00 0.00 57.45 57.15 1wir n PHE 101 Cb 0.28 -2.43 -0.11 0.00 0.35 0.00 0.00 39.48 37.57 1wir n PHE 101 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1wir s ASP 102 N 3.19 3.44 0.57 -2.13 1.11 -1.26 -4.67 116.67 116.92 1wir s ASP 102 Ca 0.98 -0.94 0.33 0.00 0.18 0.00 0.00 52.55 53.09 1wir s ASP 102 Cb -1.09 -2.60 1.68 0.00 1.07 0.00 0.00 42.92 41.98 1wir s ASP 102 CO 0.65 -4.75 2.13 1.62 1.18 0.00 0.00 175.17 176.00 1wir h VAL 103 N 6.73 0.31 -0.90 -1.27 3.04 -1.90 -2.66 116.25 119.61 1wir h VAL 103 Ca 0.01 -0.39 0.15 0.00 -1.01 0.00 0.00 66.70 65.47 1wir h VAL 103 Cb 1.00 1.29 -0.07 0.00 -2.01 0.00 0.00 31.29 31.49 1wir h VAL 103 CO 1.01 0.06 0.58 -0.33 -1.01 0.00 0.00 177.57 177.88 1wir h GLU 104 N 0.00 0.65 -1.08 4.17 4.39 -1.95 -0.19 114.58 120.58 1wir h GLU 104 Ca -0.00 -0.04 0.29 0.00 0.34 0.00 0.00 59.36 59.95 1wir h GLU 104 Cb 0.28 -0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 28.70 1wir h GLU 104 CO 0.01 0.43 0.72 -0.44 -1.16 0.00 0.00 179.01 178.57 1wir h ASP 105 N 0.67 0.32 -0.05 1.42 3.32 -1.87 0.57 116.42 120.80 1wir h ASP 105 Ca 0.45 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.46 1wir h ASP 105 Cb 0.76 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1wir h ASP 105 CO -0.21 0.05 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.00 1wir h LEU 106 N 0.28 0.52 -9.03 1.55 3.38 -1.24 -3.42 115.31 107.35 1wir h LEU 106 Ca 0.59 -0.19 -0.57 0.00 0.09 0.00 0.00 57.88 57.81 1wir h LEU 106 Cb 1.73 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.31 1wir h LEU 106 CO -0.23 0.79 1.09 -0.31 0.09 0.00 0.00 178.44 179.87 1wir s TYR 107 N -4.42 2.24 -0.31 1.13 2.02 0.20 -4.98 117.35 113.22 1wir s TYR 107 Ca -0.07 0.61 -0.15 0.00 -0.37 0.00 0.00 57.07 57.09 1wir s TYR 107 Cb 0.13 -3.95 -0.02 0.00 -0.40 0.00 0.00 41.96 37.72 1wir s TYR 107 CO 0.80 -2.68 0.37 -2.00 -1.57 0.00 0.00 175.55 170.47 1wir s GLU 108 N 4.52 3.78 -0.37 -0.62 -6.30 -1.26 -5.00 118.70 113.46 1wir s GLU 108 Ca 0.68 -0.19 -0.28 0.00 -2.50 0.00 0.00 54.97 52.67 1wir s GLU 108 Cb -0.23 -3.73 -0.01 0.00 0.00 0.00 0.00 34.13 30.15 1wir s GLU 108 CO 0.28 -0.41 1.71 -1.25 0.02 0.00 0.00 175.26 175.60 1wir s PRO 109 N 2.06 3.35 -1.05 4.30 0.04 -1.26 -4.93 135.00 137.51 1wir s PRO 109 Ca 0.14 1.26 -0.04 0.00 0.04 0.00 0.00 61.00 62.39 1wir s PRO 109 Cb -0.16 -4.17 0.30 0.00 0.04 0.00 0.00 34.50 30.51 1wir s PRO 109 CO 0.11 -1.84 1.34 0.28 0.04 0.00 0.00 177.00 176.93 1wir n VAL 110 N 7.32 4.91 -3.25 -0.36 0.31 -1.26 -4.89 118.33 121.11 1wir n VAL 110 Ca 0.21 -5.75 0.04 0.00 -0.01 0.00 0.00 64.34 58.83 1wir n VAL 110 Cb 0.47 -2.20 -0.03 0.00 -0.91 0.00 0.00 33.84 31.18 1wir n VAL 110 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1wir s SER 111 N -1.13 -0.47 -0.19 4.52 0.15 -1.26 -5.15 113.70 110.16 1wir s SER 111 Ca 0.31 0.46 -0.04 0.00 0.70 0.00 0.00 55.95 57.38 1wir s SER 111 Cb 0.02 1.46 0.10 0.00 -1.71 0.00 0.00 66.02 65.89 1wir s SER 111 CO 0.05 -0.09 0.32 0.42 1.20 0.00 0.00 173.24 175.14 1wir s THR 112 N 2.63 -0.50 -1.27 6.45 -4.23 -1.26 -5.01 115.64 112.46 1wir s THR 112 Ca -0.01 0.06 0.14 0.00 -1.18 0.00 0.00 61.69 60.71 1wir s THR 112 Cb -0.07 -0.65 0.20 0.00 1.34 0.00 0.00 72.50 73.32 1wir s THR 112 CO -0.14 -0.04 1.42 -0.81 -0.54 0.00 0.00 174.62 174.51 1wir n PRO 113 N 5.36 0.13 -3.61 3.99 -0.04 -1.26 -4.75 135.00 134.82 1wir n PRO 113 Ca -0.06 0.19 -0.15 0.00 -0.04 0.00 0.00 63.50 63.44 1wir n PRO 113 Cb 0.50 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 1wir n PRO 113 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1wir s PHE 114 N -2.73 -0.44 0.15 0.54 0.08 -1.26 -5.06 117.98 109.27 1wir s PHE 114 Ca 0.11 0.65 -0.14 0.00 0.12 0.00 0.00 56.93 57.68 1wir s PHE 114 Cb 0.10 0.29 0.03 0.00 -0.57 0.00 0.00 43.02 42.86 1wir s PHE 114 CO 0.24 -0.55 1.68 0.66 -0.10 0.00 0.00 175.22 177.15 1wir h SER 115 N 3.19 0.69 -2.30 1.36 4.64 -2.04 -3.42 113.55 115.66 1wir h SER 115 Ca -0.29 -0.19 -0.57 0.00 -0.47 0.00 0.00 61.79 60.27 1wir h SER 115 Cb 1.17 -0.18 0.04 0.00 -0.31 0.00 0.00 62.40 63.13 1wir h SER 115 CO 0.40 0.69 0.97 -1.20 -0.87 0.00 0.00 176.83 176.83 1wir n SER 116 N -4.54 3.51 -2.97 4.97 7.64 -1.26 -4.93 113.62 116.04 1wir n SER 116 Ca 0.01 1.03 -0.16 0.00 1.01 0.00 0.00 58.87 60.76 1wir n SER 116 Cb 0.18 -1.46 -0.01 0.00 -1.01 0.00 0.00 64.21 61.91 1wir n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wir n GLY 117 N 3.93 1.47 3.65 0.23 0.00 -1.26 -5.04 105.19 108.17 1wir n GLY 117 Ca 0.19 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.28 -0.03 -0.31 1.61 0.04 -1.26 -4.99 135.00 129.77 1wir s PRO 118 Ca 0.33 0.36 -0.21 0.00 0.04 0.00 0.00 61.00 61.52 1wir s PRO 118 Cb 0.21 -1.70 -0.00 0.00 0.04 0.00 0.00 34.50 33.04 1wir s PRO 118 CO -0.17 -3.00 0.67 -1.12 0.04 0.00 0.00 177.00 173.41 1wir s SER 119 N -3.55 6.52 -0.08 6.66 0.01 -1.26 -5.05 113.70 116.95 1wir s SER 119 Ca 0.67 0.44 -0.04 0.00 1.31 0.00 0.00 55.95 58.33 1wir s SER 119 Cb -0.17 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 1wir s SER 119 CO 0.57 -0.53 0.08 -0.94 0.41 0.00 0.00 173.24 172.83 1wir s SER 120 N 1.66 5.82 0.00 2.44 1.04 -1.26 -5.37 113.70 118.04 1wir s SER 120 Ca 0.27 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.98 1wir s SER 120 Cb -0.15 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.21 1wir s SER 120 CO 0.12 0.37 0.00 0.61 0.98 0.00 0.00 173.24 175.32