#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a55 s ASN 1 N 0.00 5.06 0.46 6.12 0.02 -1.26 -4.23 114.94 121.11 2a55 s ASN 1 Ca 0.00 2.09 0.08 0.00 -1.02 0.00 0.00 52.86 54.01 2a55 s ASN 1 Cb 0.00 -2.56 0.01 0.00 0.02 0.00 0.00 41.25 38.71 2a55 s ASN 1 CO 0.00 -1.67 0.45 0.00 0.02 0.00 0.00 177.10 175.91 2a55 s GLY 3 N -4.24 2.09 0.15 0.00 0.00 -1.26 -4.47 107.32 99.59 2a55 s GLY 3 Ca 0.48 0.38 -0.29 0.00 0.00 0.00 0.00 44.72 45.29 2a55 s GLY 3 CO 0.29 0.70 0.61 -1.05 0.00 0.00 0.00 173.10 173.65 2a55 n PRO 4 N -2.14 0.00 -1.35 2.90 -0.02 -1.23 -4.64 135.00 128.52 2a55 n PRO 4 Ca 0.09 0.00 -0.55 0.00 -2.02 0.00 0.00 63.50 61.01 2a55 n PRO 4 Cb 0.53 -1.06 -0.10 0.00 -0.02 0.00 0.00 33.50 32.86 2a55 n PRO 4 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2a55 n PRO 5 N 1.06 0.52 -0.21 0.52 -0.02 -1.26 -4.92 135.00 130.69 2a55 n PRO 5 Ca 0.18 0.14 -0.25 0.00 -2.02 0.00 0.00 63.50 61.55 2a55 n PRO 5 Cb 0.20 -1.97 0.24 0.00 -0.02 0.00 0.00 33.50 31.95 2a55 n PRO 5 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2a55 n PRO 6 N 7.85 -4.35 -3.63 0.52 -0.04 -1.26 -5.00 135.00 129.09 2a55 n PRO 6 Ca 0.48 -1.21 -0.36 0.00 -0.04 0.00 0.00 63.50 62.37 2a55 n PRO 6 Cb 0.09 -1.55 -0.07 0.00 -0.04 0.00 0.00 33.50 31.93 2a55 n PRO 6 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2a55 s THR 7 N -1.93 5.34 -0.32 0.52 -1.32 -1.26 -5.05 115.64 111.62 2a55 s THR 7 Ca 0.55 0.42 -0.05 0.00 -1.21 0.00 0.00 61.69 61.40 2a55 s THR 7 Cb -0.10 -3.56 0.03 0.00 -1.51 0.00 0.00 72.50 67.37 2a55 s THR 7 CO 0.46 0.44 0.07 -0.76 -2.21 0.00 0.00 174.62 172.63 2a55 s LEU 8 N 0.15 4.10 0.00 9.08 1.43 -1.26 -4.92 118.68 127.26 2a55 s LEU 8 Ca 0.14 -1.07 0.27 0.00 -1.03 0.00 0.00 54.13 52.44 2a55 s LEU 8 Cb -0.13 -1.83 1.59 0.00 0.03 0.00 0.00 46.19 45.86 2a55 s LEU 8 CO 0.03 -0.28 1.96 -1.54 0.23 0.00 0.00 176.35 176.75 2a55 n SER 9 N 4.78 0.00 -2.03 2.29 3.41 -1.26 -2.73 113.62 118.08 2a55 n SER 9 Ca -0.13 -0.78 -0.24 0.00 -0.26 0.00 0.00 58.87 57.46 2a55 n SER 9 Cb 0.45 -0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.40 2a55 n SER 9 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2a55 n PHE 10 N -1.03 2.77 -3.95 7.33 -1.74 -1.26 -5.03 117.46 114.56 2a55 n PHE 10 Ca 0.20 -2.25 0.00 0.00 -0.56 0.00 0.00 57.45 54.83 2a55 n PHE 10 Cb 0.10 -0.38 0.00 0.00 1.52 0.00 0.00 39.48 40.73 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2a55 n ALA 11 N -0.72 0.00 -3.64 1.98 0.00 -1.11 -4.34 120.51 112.69 2a55 n ALA 11 Ca 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.79 2a55 n ALA 11 Cb 0.96 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.34 2a55 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a55 s ALA 12 N -1.00 -1.95 0.54 0.00 0.00 -0.98 -4.64 121.76 113.72 2a55 s ALA 12 Ca 0.00 2.03 -0.19 0.00 0.00 0.00 0.00 51.96 53.80 2a55 s ALA 12 Cb 0.00 -1.41 -0.09 0.00 0.00 0.00 0.00 23.12 21.62 2a55 s ALA 12 CO 0.00 -0.30 0.58 -2.30 0.00 0.00 0.00 175.76 173.74 2a55 n PRO 13 N 2.79 0.59 0.00 0.00 -0.02 -1.26 -0.41 135.00 136.69 2a55 n PRO 13 Ca -0.15 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2a55 n PRO 13 Cb 0.56 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 2a55 n PRO 13 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2a55 n MET 14 N 0.02 1.56 -3.17 -0.52 1.56 -1.26 -4.61 117.12 110.71 2a55 n MET 14 Ca 0.12 0.00 0.02 0.00 -0.27 0.00 0.00 57.70 57.57 2a55 n MET 14 Cb 0.46 -0.14 -0.00 0.00 2.15 0.00 0.00 33.22 35.69 2a55 n MET 14 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2a55 s ASP 15 N -0.04 -1.49 0.00 6.12 2.15 -1.26 -4.91 116.67 117.24 2a55 s ASP 15 Ca 0.00 -0.33 0.00 0.00 0.43 0.00 0.00 52.55 52.65 2a55 s ASP 15 Cb 0.00 1.91 0.00 0.00 -0.30 0.00 0.00 42.92 44.53 2a55 s ASP 15 CO 0.00 -0.21 0.00 0.00 -0.17 0.00 0.00 175.17 174.79 2a55 n ILE 16 N 4.82 0.00 -2.91 4.11 0.13 -1.26 -3.19 119.36 121.07 2a55 n ILE 16 Ca 0.08 0.00 -0.02 0.00 -1.10 0.00 0.00 62.75 61.71 2a55 n ILE 16 Cb 0.56 0.00 -0.02 0.00 -0.84 0.00 0.00 39.64 39.34 2a55 n ILE 16 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 2a55 n THR 17 N 0.00 -5.66 -0.05 9.51 -2.24 -1.26 -4.67 114.28 109.90 2a55 n THR 17 Ca 0.00 1.09 0.00 0.00 -2.27 0.00 0.00 64.05 62.87 2a55 n THR 17 Cb 0.00 -4.12 0.00 0.00 -2.10 0.00 0.00 70.33 64.11 2a55 n THR 17 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2a55 n LEU 18 N 2.13 3.69 -0.38 3.22 7.99 -1.26 -3.70 117.00 128.68 2a55 n LEU 18 Ca -0.15 -1.69 0.13 0.00 -0.01 0.00 0.00 56.01 54.28 2a55 n LEU 18 Cb 0.26 -0.75 0.33 0.00 -0.11 0.00 0.00 43.42 43.16 2a55 n LEU 18 CO 0.16 0.68 0.65 0.35 -1.51 0.00 0.00 177.39 177.71 2a55 n THR 19 N 1.32 0.00 -2.70 -5.08 -2.24 -1.26 -4.91 114.28 99.41 2a55 n THR 19 Ca 0.00 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2a55 n THR 19 Cb 0.39 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 2a55 n THR 19 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2a55 n GLU 20 N -0.24 2.40 0.00 -0.78 1.02 -1.24 -5.08 120.64 116.72 2a55 n GLU 20 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2a55 n GLU 20 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.80 2a55 n GLU 20 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2a55 n THR 21 N -0.32 0.00 -4.39 2.62 -2.24 -1.26 -5.05 114.28 103.64 2a55 n THR 21 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 2a55 n THR 21 Cb 0.00 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 2a55 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2a55 s ARG 22 N -1.00 1.45 -0.22 -0.78 0.52 -1.26 -3.55 118.95 114.10 2a55 s ARG 22 Ca 0.00 -1.59 -0.05 0.00 -0.52 0.00 0.00 55.73 53.57 2a55 s ARG 22 Cb 0.00 -1.49 0.11 0.00 0.52 0.00 0.00 34.95 34.10 2a55 s ARG 22 CO 0.00 0.28 0.42 -0.06 0.02 0.00 0.00 175.30 175.96 2a55 s PHE 23 N -2.39 -0.87 1.08 -0.53 0.40 -1.26 -4.99 117.98 109.41 2a55 s PHE 23 Ca 0.23 1.28 -0.18 0.00 -0.60 0.00 0.00 56.93 57.66 2a55 s PHE 23 Cb -0.04 0.22 0.07 0.00 0.51 0.00 0.00 43.02 43.78 2a55 s PHE 23 CO 0.10 -0.61 -0.01 0.36 0.70 0.00 0.00 175.22 175.76 2a55 n LYS 24 N 5.38 -1.24 0.00 0.44 2.85 -1.26 -3.76 118.16 120.57 2a55 n LYS 24 Ca -0.06 -0.34 0.07 0.00 -1.05 0.00 0.00 58.31 56.93 2a55 n LYS 24 Cb 0.50 -1.68 0.40 0.00 -0.65 0.00 0.00 35.03 33.59 2a55 n LYS 24 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2a55 n THR 25 N -4.19 0.13 0.70 0.58 -2.24 -1.26 -1.57 114.28 106.43 2a55 n THR 25 Ca 0.02 0.03 0.09 0.00 -2.27 0.00 0.00 64.05 61.92 2a55 n THR 25 Cb 0.61 -0.81 -0.12 0.00 -2.10 0.00 0.00 70.33 67.91 2a55 n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a55 n GLY 26 N -0.13 -0.85 3.64 3.38 0.00 -1.26 -4.22 105.19 105.76 2a55 n GLY 26 Ca 0.10 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 2a55 n GLY 26 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2a55 s THR 27 N -2.96 2.33 -0.29 2.61 -1.32 -0.61 -4.97 115.64 110.44 2a55 s THR 27 Ca 0.04 0.11 -0.13 0.00 -1.21 0.00 0.00 61.69 60.50 2a55 s THR 27 Cb 0.14 -2.37 0.11 0.00 -1.51 0.00 0.00 72.50 68.87 2a55 s THR 27 CO 0.80 -0.14 0.69 -0.89 -2.21 0.00 0.00 174.62 172.87 2a55 s THR 28 N -2.74 -0.53 0.17 5.08 2.01 -1.25 -4.03 115.64 114.34 2a55 s THR 28 Ca 0.66 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.64 2a55 s THR 28 Cb -0.21 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.34 2a55 s THR 28 CO 0.59 0.00 0.23 0.18 -0.69 0.00 0.00 174.62 174.93 2a55 n LEU 29 N 4.91 0.00 0.00 4.42 4.32 -0.32 -4.87 117.00 125.46 2a55 n LEU 29 Ca -0.15 -0.34 0.00 0.00 -0.02 0.00 0.00 56.01 55.50 2a55 n LEU 29 Cb 0.54 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 2a55 n LEU 29 CO -0.03 -0.64 0.00 1.17 -1.22 0.00 0.00 177.39 176.67 2a55 n LYS 30 N -1.46 0.00 -1.04 3.23 3.00 -1.19 -4.09 118.16 116.60 2a55 n LYS 30 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 2a55 n LYS 30 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.14 2a55 n LYS 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2a55 n TYR 31 N -1.78 -2.80 -3.95 5.64 4.02 -1.26 -4.17 117.16 112.86 2a55 n TYR 31 Ca 0.00 1.47 -0.27 0.00 -0.01 0.00 0.00 57.90 59.09 2a55 n TYR 31 Cb 0.00 -2.67 -0.01 0.00 -0.02 0.00 0.00 39.34 36.64 2a55 n TYR 31 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2a55 s THR 32 N -2.34 1.56 -0.26 -0.72 -1.32 0.46 -4.88 115.64 108.13 2a55 s THR 32 Ca 0.00 -1.52 -0.00 0.00 -1.21 0.00 0.00 61.69 58.95 2a55 s THR 32 Cb 0.00 -2.08 0.08 0.00 -1.51 0.00 0.00 72.50 68.99 2a55 s THR 32 CO 0.00 0.00 0.03 0.00 -2.21 0.00 0.00 174.62 172.44 2a55 n LEU 34 N 4.78 -3.38 -4.46 0.00 4.77 -1.26 -4.65 117.00 112.81 2a55 n LEU 34 Ca -0.07 0.68 -0.55 0.00 -0.03 0.00 0.00 56.01 56.04 2a55 n LEU 34 Cb 0.44 -0.87 -0.09 0.00 -2.33 0.00 0.00 43.42 40.58 2a55 n LEU 34 CO 0.15 -4.64 1.66 -2.65 -1.33 0.00 0.00 177.39 170.58 2a55 n PRO 35 N 1.42 0.74 0.00 3.23 -0.02 -1.26 -1.51 135.00 137.61 2a55 n PRO 35 Ca 0.09 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2a55 n PRO 35 Cb 0.46 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 2a55 n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a55 n GLY 36 N 6.24 1.89 0.04 -1.23 0.00 -1.26 -4.95 105.19 105.91 2a55 n GLY 36 Ca 0.42 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.43 2a55 n GLY 36 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2a55 n TYR 37 N 0.00 0.00 -0.77 1.61 4.01 -0.57 -4.69 117.16 116.76 2a55 n TYR 37 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2a55 n TYR 37 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 2a55 n TYR 37 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2a55 n VAL 38 N -1.93 -1.81 -4.32 -0.72 0.31 -1.26 0.21 118.33 108.81 2a55 n VAL 38 Ca 0.02 0.82 -0.21 0.00 -0.01 0.00 0.00 64.34 64.97 2a55 n VAL 38 Cb 0.11 -1.28 -0.11 0.00 -0.91 0.00 0.00 33.84 31.65 2a55 n VAL 38 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2a55 s ARG 39 N -4.73 1.24 0.00 5.55 0.52 -1.26 -1.33 118.95 118.94 2a55 s ARG 39 Ca 0.00 -1.40 0.00 0.00 -0.52 0.00 0.00 55.73 53.81 2a55 s ARG 39 Cb 0.00 -1.23 0.00 0.00 0.52 0.00 0.00 34.95 34.24 2a55 s ARG 39 CO 0.00 0.24 0.35 0.45 0.02 0.00 0.00 175.30 176.37 2a55 n SER 40 N 0.25 0.00 -1.80 0.23 2.88 -1.26 -4.90 113.62 109.01 2a55 n SER 40 Ca -0.13 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.41 2a55 n SER 40 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2a55 n SER 40 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2a55 n HIS 41 N 0.00 -3.58 -1.15 0.66 -0.00 -1.26 -5.03 115.22 104.86 2a55 n HIS 41 Ca 0.00 2.14 0.00 0.00 -0.00 0.00 0.00 57.72 59.86 2a55 n HIS 41 Cb 0.50 -3.29 0.00 0.00 -0.00 0.00 0.00 29.99 27.20 2a55 n HIS 41 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2a55 n SER 42 N 1.36 0.00 -1.08 0.41 7.64 -1.26 -4.97 113.62 115.72 2a55 n SER 42 Ca 0.00 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.38 2a55 n SER 42 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2a55 n SER 42 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2a55 n THR 43 N 0.00 -2.61 -3.92 0.44 -1.04 -1.26 -4.31 114.28 101.58 2a55 n THR 43 Ca 0.00 1.21 -0.32 0.00 -2.04 0.00 0.00 64.05 62.90 2a55 n THR 43 Cb 0.12 -1.86 -0.13 0.00 -1.82 0.00 0.00 70.33 66.64 2a55 n THR 43 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a55 s GLN 44 N -4.79 1.95 -0.24 -2.82 0.00 -1.26 -3.48 119.66 109.02 2a55 s GLN 44 Ca 0.00 -2.37 -0.16 0.00 -0.00 0.00 0.00 55.36 52.83 2a55 s GLN 44 Cb 0.00 -3.38 0.07 0.00 0.00 0.00 0.00 33.01 29.70 2a55 s GLN 44 CO 0.00 -1.08 0.59 0.95 0.00 0.00 0.00 175.29 175.76 2a55 s THR 45 N 0.13 -0.01 -0.35 3.63 -4.23 -1.26 -4.61 115.64 108.95 2a55 s THR 45 Ca 0.15 0.03 -0.11 0.00 -1.18 0.00 0.00 61.69 60.57 2a55 s THR 45 Cb -0.23 -0.85 0.01 0.00 1.34 0.00 0.00 72.50 72.76 2a55 s THR 45 CO -0.03 0.01 0.21 -0.76 -0.54 0.00 0.00 174.62 173.51 2a55 s LEU 46 N 1.22 4.52 0.09 4.79 1.02 -1.26 -4.61 118.68 124.45 2a55 s LEU 46 Ca -0.07 -0.70 0.09 0.00 0.02 0.00 0.00 54.13 53.47 2a55 s LEU 46 Cb -0.06 -2.06 -0.04 0.00 0.02 0.00 0.00 46.19 44.06 2a55 s LEU 46 CO -0.12 -0.30 -0.21 -0.89 0.02 0.00 0.00 176.35 174.85 2a55 s THR 47 N 1.63 2.61 -0.27 5.49 2.01 -1.06 -1.17 115.64 124.88 2a55 s THR 47 Ca 0.04 -1.44 -0.24 0.00 0.31 0.00 0.00 61.69 60.36 2a55 s THR 47 Cb -0.18 -2.14 -0.00 0.00 0.01 0.00 0.00 72.50 70.19 2a55 s THR 47 CO 0.08 0.21 0.80 0.00 -0.69 0.00 0.00 174.62 175.01 2a55 n ASN 49 N 6.06 0.00 -3.49 0.00 2.04 -1.15 -4.19 115.26 114.52 2a55 n ASN 49 Ca 0.04 -0.98 -0.40 0.00 -0.44 0.00 0.00 54.58 52.80 2a55 n ASN 49 Cb 0.48 0.00 0.02 0.00 -2.53 0.00 0.00 39.78 37.75 2a55 n ASN 49 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 2a55 n SER 50 N -2.95 7.24 0.00 0.53 3.41 -1.26 -4.25 113.62 116.34 2a55 n SER 50 Ca 0.00 -3.71 0.00 0.00 -0.26 0.00 0.00 58.87 54.90 2a55 n SER 50 Cb 0.00 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 2a55 n SER 50 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2a55 n ASP 51 N -0.14 1.64 0.00 4.04 9.92 -1.26 -5.04 116.55 125.70 2a55 n ASP 51 Ca 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.73 2a55 n ASP 51 Cb 0.26 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a55 n GLY 52 N 2.41 -0.53 0.00 0.44 0.00 -1.26 -5.12 105.19 101.13 2a55 n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2a55 n GLY 52 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2a55 n GLU 53 N 0.00 0.00 -3.48 1.61 0.00 -1.26 -4.24 120.64 113.27 2a55 n GLU 53 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 2a55 n GLU 53 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.35 2a55 n GLU 53 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2a55 s TRP 54 N -3.05 3.31 0.19 -1.84 0.52 -1.26 -2.92 118.94 113.88 2a55 s TRP 54 Ca 0.00 0.40 0.04 0.00 0.02 0.00 0.00 56.10 56.56 2a55 s TRP 54 Cb 0.00 -2.45 -0.03 0.00 -1.15 0.00 0.00 33.47 29.83 2a55 s TRP 54 CO 0.00 -0.07 0.30 0.14 0.02 0.00 0.00 176.95 177.35 2a55 s VAL 55 N 1.50 5.24 0.00 4.03 -7.23 -0.16 -4.91 120.40 118.88 2a55 s VAL 55 Ca 0.14 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 2a55 s VAL 55 Cb -0.15 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 33.03 2a55 s VAL 55 CO 0.08 -0.19 0.00 0.00 -0.31 0.00 0.00 175.10 174.68 2a55 n TYR 56 N -0.88 0.00 -2.76 2.82 0.18 -1.26 -2.57 117.16 112.68 2a55 n TYR 56 Ca -0.08 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.50 2a55 n TYR 56 Cb 0.55 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.54 2a55 n TYR 56 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 2a55 s ASN 57 N 0.00 5.40 -1.32 9.48 -0.87 -1.26 -4.99 114.94 121.38 2a55 s ASN 57 Ca 0.00 -0.14 -0.17 0.00 -1.57 0.00 0.00 52.86 50.98 2a55 s ASN 57 Cb 0.00 -0.81 0.07 0.00 -0.02 0.00 0.00 41.25 40.49 2a55 s ASN 57 CO 0.00 -1.02 1.82 0.41 -2.57 0.00 0.00 177.10 175.74 2a55 n THR 58 N -2.18 3.88 0.00 1.60 -1.04 -1.26 -4.88 114.28 110.40 2a55 n THR 58 Ca 0.08 -3.95 0.00 0.00 -2.04 0.00 0.00 64.05 58.14 2a55 n THR 58 Cb 0.59 -2.40 0.00 0.00 -1.82 0.00 0.00 70.33 66.70 2a55 n THR 58 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 2a55 n PHE 59 N 7.80 0.00 -2.25 -1.42 -1.74 -1.23 -4.38 117.46 114.25 2a55 n PHE 59 Ca 0.49 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.95 2a55 n PHE 59 Cb 0.44 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.42 2a55 n PHE 59 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2a55 n ILE 61 N 5.60 3.86 -1.85 0.00 3.06 -0.45 -4.86 119.36 124.72 2a55 n ILE 61 Ca 0.16 -5.28 -0.43 0.00 -2.50 0.00 0.00 62.75 54.70 2a55 n ILE 61 Cb 0.44 -2.46 -0.03 0.00 0.54 0.00 0.00 39.64 38.13 2a55 n ILE 61 CO 0.00 0.00 0.00 -0.47 -2.50 0.00 0.00 176.55 173.58 2a55 s TYR 62 N -1.42 1.61 -0.30 9.51 6.14 0.13 -4.29 117.35 128.73 2a55 s TYR 62 Ca 0.30 0.29 -0.03 0.00 0.64 0.00 0.00 57.07 58.26 2a55 s TYR 62 Cb -0.08 -4.04 0.19 0.00 0.42 0.00 0.00 41.96 38.46 2a55 s TYR 62 CO -0.09 -3.95 0.83 -1.59 0.64 0.00 0.00 175.55 171.39 2a55 s LYS 63 N 5.14 0.35 0.02 4.97 0.00 -1.25 -5.03 119.74 123.93 2a55 s LYS 63 Ca 0.84 0.30 0.00 0.00 0.00 0.00 0.00 55.97 57.12 2a55 s LYS 63 Cb -0.32 0.15 0.00 0.00 0.00 0.00 0.00 37.83 37.66 2a55 s LYS 63 CO 0.34 -0.64 0.03 2.89 0.00 0.00 0.00 175.35 177.97 2a55 n ARG 64 N 5.19 0.82 -4.33 1.78 0.00 -1.26 -3.45 116.66 115.40 2a55 n ARG 64 Ca 0.07 -0.09 -0.25 0.00 -0.00 0.00 0.00 57.85 57.59 2a55 n ARG 64 Cb 0.56 -0.01 -0.09 0.00 -0.00 0.00 0.00 32.46 32.92 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2a55 s ARG 66 N -3.19 4.10 -0.27 0.00 6.06 -1.26 -4.82 118.95 119.58 2a55 s ARG 66 Ca 0.27 2.59 -0.34 0.00 -2.50 0.00 0.00 55.73 55.75 2a55 s ARG 66 Cb -0.07 -2.98 -0.11 0.00 0.06 0.00 0.00 34.95 31.85 2a55 s ARG 66 CO 0.16 -0.57 2.10 0.72 -2.50 0.00 0.00 175.30 175.21 2a55 n HIS 67 N 0.91 1.85 -0.46 5.12 8.25 -1.26 -4.78 115.22 124.85 2a55 n HIS 67 Ca 0.03 0.17 0.38 0.00 -0.26 0.00 0.00 57.72 58.03 2a55 n HIS 67 Cb 0.39 -2.59 0.62 0.00 1.12 0.00 0.00 29.99 29.53 2a55 n HIS 67 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2a55 n PRO 68 N 7.76 -0.02 0.00 -0.41 -0.02 -1.26 -4.88 135.00 136.16 2a55 n PRO 68 Ca 0.34 1.06 0.00 0.00 -2.02 0.00 0.00 63.50 62.88 2a55 n PRO 68 Cb 0.27 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2a55 n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a55 n GLY 69 N -1.54 -1.50 3.73 -1.23 0.00 -1.26 -4.49 105.19 98.91 2a55 n GLY 69 Ca 0.36 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 2a55 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a55 s GLU 70 N -0.31 4.71 -0.58 1.61 2.56 -1.26 -4.86 118.70 120.57 2a55 s GLU 70 Ca 0.00 1.46 -0.19 0.00 0.00 0.00 0.00 54.97 56.24 2a55 s GLU 70 Cb 0.00 -3.37 0.10 0.00 2.00 0.00 0.00 34.13 32.87 2a55 s GLU 70 CO 0.00 0.24 0.68 -1.17 -0.56 0.00 0.00 175.26 174.45 2a55 s LEU 71 N -0.13 5.43 0.01 2.70 0.20 -1.26 -5.00 118.68 120.63 2a55 s LEU 71 Ca 0.46 -1.43 -0.30 0.00 0.69 0.00 0.00 54.13 53.55 2a55 s LEU 71 Cb -0.24 -2.30 -0.07 0.00 -0.43 0.00 0.00 46.19 43.15 2a55 s LEU 71 CO 0.30 -1.08 1.75 -0.60 -0.29 0.00 0.00 176.35 176.44 2a55 s ARG 72 N 2.58 4.17 0.00 1.98 3.52 -1.26 0.41 118.95 130.36 2a55 s ARG 72 Ca 0.11 2.37 0.00 0.00 -0.13 0.00 0.00 55.73 58.07 2a55 s ARG 72 Cb -0.24 -3.91 0.00 0.00 -1.56 0.00 0.00 34.95 29.23 2a55 s ARG 72 CO 0.06 -0.85 0.00 0.09 -0.81 0.00 0.00 175.30 173.80 2a55 n ASN 73 N 6.77 0.00 -4.84 -2.12 3.02 -1.26 -4.57 115.26 112.25 2a55 n ASN 73 Ca 0.18 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.44 2a55 n ASN 73 Cb 0.41 -0.52 -0.04 0.00 -0.61 0.00 0.00 39.78 39.03 2a55 n ASN 73 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2a55 s GLY 74 N -2.00 2.60 -0.41 7.41 0.00 0.17 -0.75 107.32 114.35 2a55 s GLY 74 Ca 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 43.76 2a55 s GLY 74 CO 0.00 -2.03 0.35 1.20 0.00 0.00 0.00 173.10 172.62 2a55 s GLN 75 N -4.11 0.89 -0.36 2.90 -1.52 0.27 -4.50 119.66 113.24 2a55 s GLN 75 Ca 0.24 -2.05 -0.39 0.00 -1.95 0.00 0.00 55.36 51.22 2a55 s GLN 75 Cb -0.00 -1.37 -0.14 0.00 -0.22 0.00 0.00 33.01 31.28 2a55 s GLN 75 CO 0.15 -1.38 2.05 0.28 -0.25 0.00 0.00 175.29 176.13 2a55 n VAL 76 N 2.89 0.18 -2.48 1.09 0.31 -1.26 -3.27 118.33 115.79 2a55 n VAL 76 Ca 0.29 -0.14 -0.40 0.00 -0.01 0.00 0.00 64.34 64.08 2a55 n VAL 76 Cb 0.48 -1.28 -0.02 0.00 -0.91 0.00 0.00 33.84 32.11 2a55 n VAL 76 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2a55 s GLU 77 N 5.39 3.58 -0.06 5.55 2.12 0.17 -4.94 118.70 130.49 2a55 s GLU 77 Ca 1.09 -1.45 0.03 0.00 0.36 0.00 0.00 54.97 54.99 2a55 s GLU 77 Cb -1.06 -5.40 -0.02 0.00 0.26 0.00 0.00 34.13 27.90 2a55 s GLU 77 CO 0.58 -2.50 -0.13 0.42 -0.54 0.00 0.00 175.26 173.09 2a55 s ILE 78 N 5.64 3.12 0.00 -3.70 1.09 -1.26 -4.16 121.20 121.93 2a55 s ILE 78 Ca 0.54 -0.69 0.00 0.00 -1.10 0.00 0.00 60.65 59.40 2a55 s ILE 78 Cb 0.01 -2.24 0.00 0.00 -1.06 0.00 0.00 42.46 39.17 2a55 s ILE 78 CO 0.01 0.58 0.00 2.29 -0.10 0.00 0.00 174.94 177.72 2a55 n LYS 79 N 2.50 0.00 -0.31 2.79 0.00 -1.26 -4.88 118.16 117.01 2a55 n LYS 79 Ca -0.17 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.16 2a55 n LYS 79 Cb 0.52 -0.10 0.14 0.00 -0.00 0.00 0.00 35.03 35.59 2a55 n LYS 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2a55 n THR 80 N -1.07 0.94 -0.98 0.58 -2.24 -1.26 -4.81 114.28 105.43 2a55 n THR 80 Ca 0.00 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2a55 n THR 80 Cb 0.00 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 2a55 n THR 80 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2a55 n ASP 81 N 0.21 -4.86 -3.27 3.42 8.00 -1.26 -3.20 116.55 115.59 2a55 n ASP 81 Ca 0.09 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.50 2a55 n ASP 81 Cb 0.57 -2.57 0.02 0.00 -0.02 0.00 0.00 41.12 39.12 2a55 n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a55 n LEU 82 N 0.00 -5.43 -4.79 0.64 -0.00 -1.26 -4.80 117.00 101.35 2a55 n LEU 82 Ca 0.00 -0.42 -0.38 0.00 -0.00 0.00 0.00 56.01 55.20 2a55 n LEU 82 Cb 0.33 -2.95 -0.06 0.00 -0.00 0.00 0.00 43.42 40.75 2a55 n LEU 82 CO 0.00 -0.51 0.24 -0.44 -0.00 0.00 0.00 177.39 176.68 2a55 s SER 83 N -3.12 6.96 0.07 1.45 0.01 -1.19 -3.30 113.70 114.57 2a55 s SER 83 Ca 0.14 1.14 -0.21 0.00 1.31 0.00 0.00 55.95 58.32 2a55 s SER 83 Cb -0.03 -2.34 -0.11 0.00 0.21 0.00 0.00 66.02 63.75 2a55 s SER 83 CO 0.78 0.21 0.49 0.33 0.41 0.00 0.00 173.24 175.45 2a55 n PHE 84 N 2.22 0.03 -0.24 2.43 -0.00 -1.22 -2.15 117.46 118.53 2a55 n PHE 84 Ca -0.10 0.63 0.00 0.00 -0.00 0.00 0.00 57.45 57.99 2a55 n PHE 84 Cb 0.51 -1.26 0.00 0.00 -0.00 0.00 0.00 39.48 38.73 2a55 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2a55 n GLY 85 N 1.10 0.87 3.56 7.13 0.00 -1.13 -4.79 105.19 111.93 2a55 n GLY 85 Ca 0.12 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2a55 n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a55 s SER 86 N -2.08 4.29 -0.22 1.61 1.04 -0.91 -4.90 113.70 112.53 2a55 s SER 86 Ca 0.00 -0.41 0.03 0.00 0.48 0.00 0.00 55.95 56.05 2a55 s SER 86 Cb 0.00 -0.79 -0.20 0.00 0.10 0.00 0.00 66.02 65.13 2a55 s SER 86 CO 0.00 0.18 -0.05 0.00 0.98 0.00 0.00 173.24 174.36 2a55 n GLN 87 N 0.78 0.68 -3.05 4.02 -0.00 -1.19 -1.86 117.38 116.76 2a55 n GLN 87 Ca -0.14 0.16 -0.12 0.00 -0.00 0.00 0.00 57.00 56.90 2a55 n GLN 87 Cb 0.52 -1.57 0.01 0.00 -0.00 0.00 0.00 30.24 29.21 2a55 n GLN 87 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 2a55 n ILE 88 N -3.23 -7.57 -0.97 -0.39 -5.35 -1.25 0.17 119.36 100.77 2a55 n ILE 88 Ca -0.41 0.87 -0.30 0.00 -0.27 0.00 0.00 62.75 62.65 2a55 n ILE 88 Cb 1.02 -5.33 0.17 0.00 -1.74 0.00 0.00 39.64 33.77 2a55 n ILE 88 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2a55 s GLU 89 N -1.95 0.66 0.53 6.28 2.12 -1.25 -4.10 118.70 121.00 2a55 s GLU 89 Ca 0.16 0.93 0.03 0.00 0.36 0.00 0.00 54.97 56.45 2a55 s GLU 89 Cb -0.03 -1.73 0.03 0.00 0.26 0.00 0.00 34.13 32.66 2a55 s GLU 89 CO 0.62 -2.68 0.23 1.19 -0.54 0.00 0.00 175.26 174.08 2a55 n PHE 90 N -4.20 0.20 -3.27 5.30 3.01 -1.07 -0.66 117.46 116.77 2a55 n PHE 90 Ca 0.07 -2.41 -0.02 0.00 1.01 0.00 0.00 57.45 56.10 2a55 n PHE 90 Cb 0.55 -0.40 -0.04 0.00 -0.01 0.00 0.00 39.48 39.57 2a55 n PHE 90 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2a55 s SER 91 N -4.04 -0.70 -0.35 4.37 0.01 -1.20 -4.81 113.70 106.97 2a55 s SER 91 Ca 0.17 0.67 -0.21 0.00 1.31 0.00 0.00 55.95 57.89 2a55 s SER 91 Cb -0.01 1.74 0.00 0.00 0.21 0.00 0.00 66.02 67.96 2a55 s SER 91 CO 0.11 -0.27 0.68 0.00 0.41 0.00 0.00 173.24 174.17 2a55 n SER 93 N 6.14 -2.81 -4.36 0.00 3.41 0.08 -4.67 113.62 111.41 2a55 n SER 93 Ca 0.00 -0.02 -0.38 0.00 -0.26 0.00 0.00 58.87 58.22 2a55 n SER 93 Cb 0.48 -0.83 0.04 0.00 -0.26 0.00 0.00 64.21 63.64 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2a55 n GLU 94 N -0.32 0.24 0.00 4.33 4.07 -1.26 -2.04 120.64 125.66 2a55 n GLU 94 Ca 0.00 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 2a55 n GLU 94 Cb 0.65 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.57 2a55 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2a55 n GLY 95 N 2.11 1.39 3.64 8.31 0.00 -1.26 -4.93 105.19 114.45 2a55 n GLY 95 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2a55 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a55 s PHE 96 N 0.00 2.88 0.35 1.61 0.08 -0.87 -0.68 117.98 121.35 2a55 s PHE 96 Ca 0.00 -0.08 0.08 0.00 0.12 0.00 0.00 56.93 57.05 2a55 s PHE 96 Cb 0.00 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 2a55 s PHE 96 CO 0.00 0.45 0.21 -0.59 -0.10 0.00 0.00 175.22 175.19 2a55 s PHE 97 N -1.25 2.75 0.10 0.36 -0.71 -0.91 -4.33 117.98 114.00 2a55 s PHE 97 Ca 0.23 -0.38 -0.24 0.00 -1.04 0.00 0.00 56.93 55.50 2a55 s PHE 97 Cb -0.11 -1.75 -0.07 0.00 -1.21 0.00 0.00 43.02 39.87 2a55 s PHE 97 CO 0.15 0.24 0.74 -1.17 -1.34 0.00 0.00 175.22 173.84 2a55 s LEU 98 N -3.92 4.53 -0.25 -1.99 1.98 -1.26 -3.70 118.68 114.07 2a55 s LEU 98 Ca 0.40 1.50 -0.14 0.00 -2.89 0.00 0.00 54.13 53.00 2a55 s LEU 98 Cb -0.03 -3.20 0.08 0.00 0.66 0.00 0.00 46.19 43.70 2a55 s LEU 98 CO 0.24 0.14 0.61 -0.63 -1.89 0.00 0.00 176.35 174.83 2a55 s ILE 99 N -0.71 -0.07 0.00 6.68 1.01 -1.08 -4.97 121.20 122.07 2a55 s ILE 99 Ca 0.36 0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.03 2a55 s ILE 99 Cb -0.21 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.36 2a55 s ILE 99 CO 0.24 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.80 2a55 n GLY 100 N 4.38 3.30 0.00 6.18 0.00 -1.26 0.13 105.19 117.92 2a55 n GLY 100 Ca -0.20 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2a55 n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2a55 n SER 101 N 0.00 0.00 0.16 1.61 2.88 -1.26 -5.01 113.62 111.99 2a55 n SER 101 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 2a55 n SER 101 Cb 0.00 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.02 2a55 n SER 101 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2a55 n THR 102 N 0.00 1.07 -4.39 2.46 -2.24 -1.26 -4.55 114.28 105.37 2a55 n THR 102 Ca 0.00 0.72 -0.24 0.00 -2.27 0.00 0.00 64.05 62.26 2a55 n THR 102 Cb 0.00 -1.72 -0.09 0.00 -2.10 0.00 0.00 70.33 66.43 2a55 n THR 102 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2a55 s THR 103 N -3.52 2.95 -0.22 4.28 -4.23 -1.26 -2.60 115.64 111.02 2a55 s THR 103 Ca -0.02 -2.16 -0.04 0.00 -1.18 0.00 0.00 61.69 58.29 2a55 s THR 103 Cb 0.06 -2.56 0.12 0.00 1.34 0.00 0.00 72.50 71.46 2a55 s THR 103 CO 0.19 -0.38 0.37 -0.44 -0.54 0.00 0.00 174.62 173.82 2a55 s SER 104 N -3.57 0.23 0.01 3.99 0.01 0.44 -4.94 113.70 109.86 2a55 s SER 104 Ca 0.31 0.37 -0.20 0.00 1.31 0.00 0.00 55.95 57.73 2a55 s SER 104 Cb -0.06 1.08 -0.06 0.00 0.21 0.00 0.00 66.02 67.20 2a55 s SER 104 CO 0.17 -0.28 0.59 -0.13 0.41 0.00 0.00 173.24 174.00 2a55 s ARG 105 N 2.53 4.30 -0.39 12.44 0.52 -1.24 -3.18 118.95 133.92 2a55 s ARG 105 Ca 0.09 0.73 -0.22 0.00 -0.52 0.00 0.00 55.73 55.81 2a55 s ARG 105 Cb -0.15 -3.33 0.01 0.00 0.52 0.00 0.00 34.95 32.01 2a55 s ARG 105 CO -0.14 0.40 0.74 0.00 0.02 0.00 0.00 175.30 176.32 2a55 s GLU 107 N 3.06 2.22 -0.05 0.00 2.12 -0.26 -2.82 118.70 122.98 2a55 s GLU 107 Ca 0.29 -2.15 0.01 0.00 0.36 0.00 0.00 54.97 53.48 2a55 s GLU 107 Cb -0.13 -1.84 0.02 0.00 0.26 0.00 0.00 34.13 32.43 2a55 s GLU 107 CO 0.18 -0.44 -0.07 0.08 -0.54 0.00 0.00 175.26 174.48 2a55 s VAL 108 N -2.79 0.70 0.00 3.70 1.01 -1.26 0.12 120.40 121.87 2a55 s VAL 108 Ca 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2a55 s VAL 108 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.70 2a55 s VAL 108 CO 0.14 0.26 0.00 0.00 0.00 0.00 0.00 175.10 175.50 2a55 n GLN 109 N 3.95 3.18 -0.00 2.72 1.13 -1.26 -4.63 117.38 122.47 2a55 n GLN 109 Ca -0.25 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 54.81 2a55 n GLN 109 Cb 0.51 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.86 2a55 n GLN 109 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2a55 n ASP 110 N 0.00 -0.01 -3.02 1.08 8.00 -1.26 -4.43 116.55 116.91 2a55 n ASP 110 Ca 0.00 0.85 -0.02 0.00 0.71 0.00 0.00 54.79 56.33 2a55 n ASP 110 Cb 0.00 -0.42 -0.00 0.00 -0.02 0.00 0.00 41.12 40.68 2a55 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a55 s ARG 111 N -3.02 0.93 0.00 -1.24 1.70 -1.26 -4.94 118.95 111.12 2a55 s ARG 111 Ca -0.00 -0.63 0.00 0.00 -0.47 0.00 0.00 55.73 54.63 2a55 s ARG 111 Cb 0.00 0.01 0.00 0.00 -0.57 0.00 0.00 34.95 34.39 2a55 s ARG 111 CO 0.00 -1.25 0.00 0.41 -1.08 0.00 0.00 175.30 173.38 2a55 n GLY 112 N 3.77 -0.06 1.47 3.88 0.00 -1.26 -5.12 105.19 107.87 2a55 n GLY 112 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2a55 n GLY 112 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2a55 n VAL 113 N 0.00 -3.31 -4.72 1.61 3.14 -1.26 -4.86 118.33 108.93 2a55 n VAL 113 Ca 0.00 1.54 -0.30 0.00 -2.96 0.00 0.00 64.34 62.62 2a55 n VAL 113 Cb 0.00 -2.21 -0.13 0.00 -1.06 0.00 0.00 33.84 30.44 2a55 n VAL 113 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2a55 s GLY 114 N -3.83 1.51 -0.35 7.55 0.00 0.32 -4.47 107.32 108.04 2a55 s GLY 114 Ca 0.00 -1.27 -0.17 0.00 0.00 0.00 0.00 44.72 43.29 2a55 s GLY 114 CO 0.00 -1.17 0.45 0.86 0.00 0.00 0.00 173.10 173.24 2a55 s TRP 115 N -0.90 3.19 0.09 1.90 -0.00 -1.26 -1.10 118.94 120.86 2a55 s TRP 115 Ca 0.13 0.07 -0.32 0.00 -0.00 0.00 0.00 56.10 55.99 2a55 s TRP 115 Cb -0.10 -2.82 -0.14 0.00 -0.00 0.00 0.00 33.47 30.41 2a55 s TRP 115 CO 0.04 -0.50 1.50 0.66 -0.00 0.00 0.00 176.95 178.65 2a55 h SER 116 N 8.47 -1.36 -4.34 5.86 4.64 -1.88 -3.45 113.55 121.49 2a55 h SER 116 Ca -0.29 0.13 -0.13 0.00 -0.47 0.00 0.00 61.79 61.03 2a55 h SER 116 Cb 1.13 0.48 -0.23 0.00 -0.31 0.00 0.00 62.40 63.48 2a55 h SER 116 CO 0.74 -0.55 -0.33 -1.00 -0.87 0.00 0.00 176.83 174.83 2a55 s HIS 117 N -5.51 -0.27 0.00 4.77 3.76 -1.26 -5.04 115.29 111.74 2a55 s HIS 117 Ca -0.15 0.58 0.00 0.00 -0.15 0.00 0.00 55.06 55.34 2a55 s HIS 117 Cb 0.05 0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.84 2a55 s HIS 117 CO 0.54 -0.26 0.00 -0.35 -0.85 0.00 0.00 174.74 173.82 2a55 n PRO 118 N 2.21 3.39 -1.37 8.40 -0.04 -1.26 -4.80 135.00 141.53 2a55 n PRO 118 Ca -0.17 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.87 2a55 n PRO 118 Cb 0.57 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.03 2a55 n PRO 118 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2a55 n LEU 119 N 0.00 -1.64 0.00 1.53 7.99 -1.26 -4.97 117.00 118.66 2a55 n LEU 119 Ca 0.00 0.89 0.00 0.00 -0.01 0.00 0.00 56.01 56.89 2a55 n LEU 119 Cb 0.00 -0.97 0.00 0.00 -0.11 0.00 0.00 43.42 42.34 2a55 n LEU 119 CO 0.00 -3.56 0.00 -0.81 -1.51 0.00 0.00 177.39 171.51 2a55 n PRO 120 N 1.03 3.67 -3.76 3.23 -0.04 -1.26 -5.01 135.00 132.86 2a55 n PRO 120 Ca 0.12 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.35 2a55 n PRO 120 Cb 0.38 0.00 -0.18 0.00 -0.04 0.00 0.00 33.50 33.66 2a55 n PRO 120 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2a55 s GLN 121 N 1.39 0.57 -0.36 0.54 -0.21 0.34 -4.96 119.66 116.97 2a55 s GLN 121 Ca 0.00 0.11 -0.11 0.00 0.02 0.00 0.00 55.36 55.37 2a55 s GLN 121 Cb 0.00 -0.98 0.02 0.00 1.00 0.00 0.00 33.01 33.04 2a55 s GLN 121 CO 0.00 -0.31 0.21 0.00 -2.12 0.00 0.00 175.29 173.07 2a55 s GLU 123 N 1.60 1.14 0.57 0.00 2.02 -1.24 -4.96 118.70 117.83 2a55 s GLU 123 Ca 0.03 -0.59 -0.19 0.00 0.02 0.00 0.00 54.97 54.24 2a55 s GLU 123 Cb -0.19 -1.12 -0.04 0.00 0.10 0.00 0.00 34.13 32.88 2a55 s GLU 123 CO 0.07 0.30 1.21 -1.50 0.02 0.00 0.00 175.26 175.36 2a55 s ILE 124 N -0.46 2.67 0.00 -1.63 1.10 -1.26 -2.14 121.20 119.48 2a55 s ILE 124 Ca 0.05 0.43 0.00 0.00 -0.51 0.00 0.00 60.65 60.62 2a55 s ILE 124 Cb -0.06 -3.18 0.00 0.00 0.15 0.00 0.00 42.46 39.37 2a55 s ILE 124 CO -0.00 -0.08 0.00 0.18 -2.11 0.00 0.00 174.94 172.93 2a55 n LEU 125 N -1.43 0.54 -3.80 8.50 4.77 0.14 -4.89 117.00 120.84 2a55 n LEU 125 Ca 0.13 0.38 -0.15 0.00 -0.03 0.00 0.00 56.01 56.34 2a55 n LEU 125 Cb 0.49 -0.40 -0.16 0.00 -2.33 0.00 0.00 43.42 41.02 2a55 n LEU 125 CO 0.45 -0.40 -0.36 -1.61 -1.33 0.00 0.00 177.39 174.14 2a55 s GLU 126 N -0.81 0.02 -0.70 3.23 2.02 -1.26 -5.10 118.70 116.10 2a55 s GLU 126 Ca 0.00 0.13 -0.27 0.00 0.02 0.00 0.00 54.97 54.84 2a55 s GLU 126 Cb 0.00 -0.23 0.03 0.00 0.10 0.00 0.00 34.13 34.03 2a55 s GLU 126 CO 0.00 -0.12 1.24 -1.58 0.02 0.00 0.00 175.26 174.82 2a55 s HIS 127 N 0.81 2.37 -0.30 1.61 5.65 -1.26 -4.90 115.29 119.27 2a55 s HIS 127 Ca -0.07 0.04 -0.10 0.00 0.25 0.00 0.00 55.06 55.18 2a55 s HIS 127 Cb -0.10 -4.59 0.18 0.00 -1.18 0.00 0.00 32.58 26.89 2a55 s HIS 127 CO -0.02 -1.94 0.92 -1.58 -0.65 0.00 0.00 174.74 171.46 2a55 s HIS 128 N 5.48 -0.84 0.04 3.88 5.04 -1.26 -5.08 115.29 122.55 2a55 s HIS 128 Ca 0.36 0.92 0.00 0.00 -1.54 0.00 0.00 55.06 54.80 2a55 s HIS 128 Cb -0.08 0.30 0.00 0.00 0.04 0.00 0.00 32.58 32.84 2a55 s HIS 128 CO 0.17 -0.46 0.00 1.58 -2.34 0.00 0.00 174.74 173.69 2a55 n HIS 129 N 5.45 -1.12 -2.44 3.88 -0.00 -1.26 -5.14 115.22 114.59 2a55 n HIS 129 Ca -0.05 0.10 -0.03 0.00 0.46 0.00 0.00 57.72 58.20 2a55 n HIS 129 Cb 0.53 0.65 -0.03 0.00 -0.12 0.00 0.00 29.99 31.02 2a55 n HIS 129 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2a55 n HIS 130 N -2.62 -4.52 -4.08 1.57 8.25 -1.26 -5.07 115.22 107.49 2a55 n HIS 130 Ca 0.00 2.66 -0.14 0.00 -0.26 0.00 0.00 57.72 59.98 2a55 n HIS 130 Cb 0.00 -3.83 -0.12 0.00 1.12 0.00 0.00 29.99 27.16 2a55 n HIS 130 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2a55 s HIS 131 N -0.61 0.61 0.00 4.41 2.46 -1.26 -5.36 115.29 115.54 2a55 s HIS 131 Ca -0.15 -0.39 0.00 0.00 0.47 0.00 0.00 55.06 54.98 2a55 s HIS 131 Cb 0.01 -0.37 0.00 0.00 -0.13 0.00 0.00 32.58 32.09 2a55 s HIS 131 CO 0.41 -0.07 0.36 0.72 -2.47 0.00 0.00 174.74 173.69