#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 6.09 0.35 7.83 0.02 -1.26 -1.02 114.94 126.95 2a55 s ASN 1 Ca 0.00 0.25 0.07 0.00 -1.02 0.00 0.00 52.86 52.16 2a55 s ASN 1 Cb 0.00 -1.84 -0.02 0.00 0.02 0.00 0.00 41.25 39.41 2a55 s ASN 1 CO 0.00 0.25 0.38 0.00 0.02 0.00 0.00 177.10 177.75 2a55 s GLY 3 N -4.09 1.60 0.24 0.00 0.00 -1.26 -3.94 107.32 99.86 2a55 s GLY 3 Ca 0.44 -0.36 -0.30 0.00 0.00 0.00 0.00 44.72 44.50 2a55 s GLY 3 CO 0.29 0.13 1.08 -1.05 0.00 0.00 0.00 173.10 173.55 2a55 n PRO 4 N -3.62 1.27 -1.46 2.90 -0.02 -1.19 -4.78 135.00 128.11 2a55 n PRO 4 Ca 0.07 0.45 -0.50 0.00 -2.02 0.00 0.00 63.50 61.50 2a55 n PRO 4 Cb 0.58 -1.87 -0.07 0.00 -0.02 0.00 0.00 33.50 32.12 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 1.22 1.16 -0.27 0.52 -0.02 -1.26 -4.94 135.00 131.40 2a55 n PRO 5 Ca 0.12 0.31 -0.21 0.00 -2.02 0.00 0.00 63.50 61.70 2a55 n PRO 5 Cb 0.29 -2.54 0.20 0.00 -0.02 0.00 0.00 33.50 31.43 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 8.26 -3.76 -3.64 0.52 -0.04 -1.26 -5.01 135.00 130.08 2a55 n PRO 6 Ca 0.40 -1.07 -0.36 0.00 -0.04 0.00 0.00 63.50 62.43 2a55 n PRO 6 Cb 0.25 -1.30 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 2a55 n PRO 6 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2a55 s THR 7 N -1.90 5.35 -0.32 0.52 2.01 -1.26 -5.07 115.64 114.98 2a55 s THR 7 Ca 0.48 0.39 -0.06 0.00 0.31 0.00 0.00 61.69 62.81 2a55 s THR 7 Cb -0.08 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 68.91 2a55 s THR 7 CO 0.39 0.43 0.08 -0.76 -0.69 0.00 0.00 174.62 174.08 2a55 s LEU 8 N 0.25 4.09 0.00 4.42 1.43 -1.26 -4.93 118.68 122.69 2a55 s LEU 8 Ca 0.13 -1.00 0.23 0.00 -1.03 0.00 0.00 54.13 52.46 2a55 s LEU 8 Cb -0.12 -1.85 1.30 0.00 0.03 0.00 0.00 46.19 45.54 2a55 s LEU 8 CO 0.02 -0.27 1.73 -1.20 0.23 0.00 0.00 176.35 176.86 2a55 n SER 9 N 4.81 0.00 -0.16 2.29 7.64 -1.26 -1.78 113.62 125.16 2a55 n SER 9 Ca -0.13 -0.53 0.07 0.00 1.01 0.00 0.00 58.87 59.29 2a55 n SER 9 Cb 0.46 -0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.54 2a55 n SER 9 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2a55 n PHE 10 N -1.08 0.00 -2.80 1.43 -1.74 -1.26 -5.03 117.46 106.98 2a55 n PHE 10 Ca 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.04 2a55 n PHE 10 Cb 0.10 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.10 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 -0.77 0.00 -3.54 1.98 0.00 -0.74 -4.59 120.51 112.85 2a55 n ALA 11 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.38 2a55 n ALA 11 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.45 -1.54 0.37 0.00 0.00 0.35 -4.55 121.76 114.95 2a55 s ALA 12 Ca 0.00 0.35 -0.26 0.00 0.00 0.00 0.00 51.96 52.06 2a55 s ALA 12 Cb 0.00 0.82 -0.09 0.00 0.00 0.00 0.00 23.12 23.85 2a55 s ALA 12 CO 0.00 -0.83 1.09 -1.25 0.00 0.00 0.00 175.76 174.77 2a55 s PRO 13 N -3.70 4.23 0.00 0.00 0.04 -1.26 -1.31 135.00 133.00 2a55 s PRO 13 Ca 0.04 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2a55 s PRO 13 Cb -0.02 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.80 2a55 s PRO 13 CO -0.07 -0.12 0.00 -0.12 0.04 0.00 0.00 177.00 176.73 2a55 n MET 14 N 0.24 3.02 -3.03 4.56 1.56 -1.17 -4.74 117.12 117.57 2a55 n MET 14 Ca 0.03 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.46 2a55 n MET 14 Cb 0.48 -0.36 -0.00 0.00 2.15 0.00 0.00 33.22 35.48 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 -0.30 -1.42 0.00 6.12 2.15 -1.20 -5.02 116.67 116.99 2a55 s ASP 15 Ca 0.00 -1.05 0.00 0.00 0.43 0.00 0.00 52.55 51.93 2a55 s ASP 15 Cb 0.00 1.84 0.00 0.00 -0.30 0.00 0.00 42.92 44.46 2a55 s ASP 15 CO 0.00 -0.12 0.00 0.00 -0.17 0.00 0.00 175.17 174.88 2a55 n ILE 16 N 3.86 0.00 -1.62 4.11 0.13 -1.26 -3.28 119.36 121.30 2a55 n ILE 16 Ca 0.13 0.00 -0.45 0.00 -1.10 0.00 0.00 62.75 61.33 2a55 n ILE 16 Cb 0.57 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 39.33 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 0.52 0.16 9.51 -2.24 -1.26 -4.80 114.28 116.18 2a55 n THR 17 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2a55 n THR 17 Cb 0.00 -2.21 0.00 0.00 -2.10 0.00 0.00 70.33 66.02 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 8.89 4.17 0.01 3.22 7.99 -1.26 -3.58 117.00 136.45 2a55 n LEU 18 Ca 0.26 -1.94 0.11 0.00 -0.01 0.00 0.00 56.01 54.43 2a55 n LEU 18 Cb 0.37 -0.82 0.02 0.00 -0.11 0.00 0.00 43.42 42.88 2a55 n LEU 18 CO 0.70 0.76 0.04 0.35 -1.51 0.00 0.00 177.39 177.73 2a55 n THR 19 N 1.07 0.09 -1.55 -5.08 -2.24 -1.26 -4.93 114.28 100.38 2a55 n THR 19 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2a55 n THR 19 Cb 0.48 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 -1.78 0.70 0.00 -0.78 1.02 -1.23 -5.06 120.64 113.51 2a55 n GLU 20 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2a55 n GLU 20 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 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 -1.25 0.00 -4.38 2.62 -2.24 -1.26 -5.04 114.28 102.73 2a55 n THR 21 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 2a55 n THR 21 Cb 0.00 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 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 1.38 -0.22 -0.78 0.52 -1.26 -3.16 118.95 114.43 2a55 s ARG 22 Ca 0.00 -1.36 -0.04 0.00 -0.52 0.00 0.00 55.73 53.82 2a55 s ARG 22 Cb 0.00 -1.80 0.11 0.00 0.52 0.00 0.00 34.95 33.78 2a55 s ARG 22 CO 0.00 0.42 0.28 -0.06 0.02 0.00 0.00 175.30 175.96 2a55 s PHE 23 N -1.22 -0.48 1.01 -0.53 0.40 -1.25 -4.95 117.98 110.95 2a55 s PHE 23 Ca 0.14 0.45 -0.17 0.00 -0.60 0.00 0.00 56.93 56.75 2a55 s PHE 23 Cb -0.09 -0.22 -0.02 0.00 0.51 0.00 0.00 43.02 43.20 2a55 s PHE 23 CO 0.06 -0.65 -0.21 0.36 0.70 0.00 0.00 175.22 175.49 2a55 n LYS 24 N 5.34 -0.53 0.00 0.44 2.85 -1.26 -2.97 118.16 122.02 2a55 n LYS 24 Ca -0.05 -0.13 0.07 0.00 -1.05 0.00 0.00 58.31 57.14 2a55 n LYS 24 Cb 0.50 -1.52 0.37 0.00 -0.65 0.00 0.00 35.03 33.73 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 -3.56 0.18 0.42 0.58 -2.24 -0.19 -1.59 114.28 107.88 2a55 n THR 25 Ca 0.02 0.05 0.08 0.00 -2.27 0.00 0.00 64.05 61.93 2a55 n THR 25 Cb 0.59 -0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 67.87 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 -0.18 -0.67 3.54 3.38 0.00 -1.26 -4.26 105.19 105.73 2a55 n GLY 26 Ca 0.09 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.87 2.04 -0.29 2.61 -1.32 -0.62 -4.97 115.64 110.22 2a55 s THR 27 Ca 0.00 0.01 -0.13 0.00 -1.21 0.00 0.00 61.69 60.36 2a55 s THR 27 Cb 0.12 -2.19 0.13 0.00 -1.51 0.00 0.00 72.50 69.04 2a55 s THR 27 CO 0.70 -0.02 0.76 -0.89 -2.21 0.00 0.00 174.62 172.97 2a55 s THR 28 N -2.60 -0.54 0.27 5.08 2.01 -1.26 -4.14 115.64 114.46 2a55 s THR 28 Ca 0.68 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.75 2a55 s THR 28 Cb -0.23 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 2a55 s THR 28 CO 0.63 0.00 0.20 -1.48 -0.69 0.00 0.00 174.62 173.28 2a55 s LEU 29 N 2.31 3.74 -0.18 4.42 2.34 -0.78 -4.97 118.68 125.56 2a55 s LEU 29 Ca -0.07 -0.32 -0.09 0.00 0.06 0.00 0.00 54.13 53.71 2a55 s LEU 29 Cb -0.08 -2.28 -0.05 0.00 -0.56 0.00 0.00 46.19 43.22 2a55 s LEU 29 CO -0.18 -0.09 0.12 -0.54 -1.06 0.00 0.00 176.35 174.59 2a55 s LYS 30 N -3.86 4.01 0.02 1.48 3.01 -1.21 -3.02 119.74 120.16 2a55 s LYS 30 Ca 0.34 -0.23 0.03 0.00 -1.01 0.00 0.00 55.97 55.10 2a55 s LYS 30 Cb -0.07 -3.34 -0.01 0.00 -1.01 0.00 0.00 37.83 33.40 2a55 s LYS 30 CO 0.25 0.39 -0.08 0.71 0.51 0.00 0.00 175.35 177.12 2a55 s TYR 31 N 0.09 0.74 0.40 3.18 1.51 -0.40 -3.02 117.35 119.85 2a55 s TYR 31 Ca 0.09 -0.26 0.08 0.00 -1.01 0.00 0.00 57.07 55.96 2a55 s TYR 31 Cb -0.11 -0.46 -0.05 0.00 -0.11 0.00 0.00 41.96 41.23 2a55 s TYR 31 CO -0.01 -0.02 0.19 -0.08 -1.11 0.00 0.00 175.55 174.52 2a55 s THR 32 N -0.61 2.46 -0.22 -0.71 -1.32 -0.43 -4.61 115.64 110.20 2a55 s THR 32 Ca -0.01 -1.67 0.02 0.00 -1.21 0.00 0.00 61.69 58.82 2a55 s THR 32 Cb -0.06 -2.99 0.04 0.00 -1.51 0.00 0.00 72.50 67.99 2a55 s THR 32 CO 0.00 -0.04 -0.14 0.00 -2.21 0.00 0.00 174.62 172.24 2a55 n LEU 34 N 4.56 -5.15 -4.61 0.00 4.77 -1.26 -4.76 117.00 110.55 2a55 n LEU 34 Ca -0.17 0.20 -0.43 0.00 -0.03 0.00 0.00 56.01 55.58 2a55 n LEU 34 Cb 0.46 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 2a55 n LEU 34 CO 0.22 -5.24 1.46 -2.16 -1.33 0.00 0.00 177.39 170.34 2a55 s PRO 35 N -1.68 3.52 0.00 3.23 0.04 -1.26 -3.32 135.00 135.53 2a55 s PRO 35 Ca 0.37 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2a55 s PRO 35 Cb -0.19 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2a55 s PRO 35 CO 0.72 -1.63 0.00 0.41 0.04 0.00 0.00 177.00 176.54 2a55 n GLY 36 N 5.13 1.14 3.77 0.56 0.00 -1.26 -5.12 105.19 109.41 2a55 n GLY 36 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 2a55 n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a55 s TYR 37 N -1.73 3.00 0.34 1.61 2.02 -1.21 -4.44 117.35 116.94 2a55 s TYR 37 Ca 0.00 1.53 0.08 0.00 -0.37 0.00 0.00 57.07 58.31 2a55 s TYR 37 Cb 0.00 -3.43 -0.04 0.00 -0.40 0.00 0.00 41.96 38.10 2a55 s TYR 37 CO 0.00 -1.45 0.20 0.08 -1.57 0.00 0.00 175.55 172.80 2a55 s VAL 38 N -1.42 3.17 -0.13 0.71 1.01 -1.26 -4.79 120.40 117.69 2a55 s VAL 38 Ca 0.58 -1.58 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 2a55 s VAL 38 Cb -0.31 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 2a55 s VAL 38 CO 0.39 -0.17 0.51 -1.14 0.00 0.00 0.00 175.10 174.69 2a55 n ARG 39 N -1.23 0.00 0.00 2.72 0.63 -1.26 -2.96 116.66 114.56 2a55 n ARG 39 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 2a55 n ARG 39 Cb 0.61 -0.40 0.00 0.00 0.45 0.00 0.00 32.46 33.11 2a55 n ARG 39 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2a55 n SER 40 N 1.61 0.00 -4.78 6.15 2.88 -1.26 -4.41 113.62 113.82 2a55 n SER 40 Ca 0.12 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.25 2a55 n SER 40 Cb -0.01 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.44 2a55 n SER 40 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2a55 s HIS 41 N 0.00 2.76 0.00 0.66 -3.43 -1.26 -2.39 115.29 111.63 2a55 s HIS 41 Ca 0.00 1.26 0.00 0.00 -0.80 0.00 0.00 55.06 55.52 2a55 s HIS 41 Cb 0.00 -3.90 0.00 0.00 -1.43 0.00 0.00 32.58 27.25 2a55 s HIS 41 CO 0.00 -2.57 0.00 0.45 -2.00 0.00 0.00 174.74 170.62 2a55 n SER 42 N 0.60 0.00 0.00 7.38 2.88 -1.26 -4.84 113.62 118.38 2a55 n SER 42 Ca 0.01 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2a55 n SER 42 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2a55 n SER 42 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2a55 n THR 43 N 0.00 0.00 -1.18 2.46 -1.04 -1.26 -5.03 114.28 108.22 2a55 n THR 43 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 2a55 n THR 43 Cb 0.01 -0.03 -0.02 0.00 -1.82 0.00 0.00 70.33 68.47 2a55 n THR 43 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a55 n GLN 44 N -0.48 -0.28 -3.83 -2.82 6.02 -1.26 -5.02 117.38 109.70 2a55 n GLN 44 Ca 0.00 0.61 -0.13 0.00 -0.01 0.00 0.00 57.00 57.47 2a55 n GLN 44 Cb 0.00 -4.28 -0.14 0.00 1.02 0.00 0.00 30.24 26.84 2a55 n GLN 44 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2a55 s THR 45 N -2.15 -0.01 0.04 5.09 -4.23 -1.26 -1.28 115.64 111.84 2a55 s THR 45 Ca 0.00 0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.57 2a55 s THR 45 Cb 0.00 -0.10 -0.04 0.00 1.34 0.00 0.00 72.50 73.70 2a55 s THR 45 CO 0.00 0.02 0.06 -0.76 -0.54 0.00 0.00 174.62 173.39 2a55 s LEU 46 N 0.27 3.74 -0.00 4.79 1.43 -1.17 -4.76 118.68 122.98 2a55 s LEU 46 Ca -0.02 0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.07 2a55 s LEU 46 Cb -0.03 -2.30 -0.00 0.00 0.03 0.00 0.00 46.19 43.88 2a55 s LEU 46 CO -0.01 0.22 0.06 -0.89 0.23 0.00 0.00 176.35 175.96 2a55 s THR 47 N -1.27 0.06 -0.31 5.49 2.01 -1.15 -1.87 115.64 118.61 2a55 s THR 47 Ca 0.25 -0.53 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 2a55 s THR 47 Cb -0.12 -0.26 0.01 0.00 0.01 0.00 0.00 72.50 72.14 2a55 s THR 47 CO 0.17 -0.29 1.16 0.00 -0.69 0.00 0.00 174.62 174.96 2a55 n ASN 49 N 7.10 0.00 -3.01 0.00 0.23 -1.17 -4.17 115.26 114.24 2a55 n ASN 49 Ca 0.13 -0.86 -0.34 0.00 -0.53 0.00 0.00 54.58 52.98 2a55 n ASN 49 Cb 0.47 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.17 2a55 n ASN 49 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2a55 n SER 50 N -2.58 6.06 0.00 0.53 2.88 -1.26 -4.49 113.62 114.75 2a55 n SER 50 Ca 0.00 -3.73 0.00 0.00 -1.33 0.00 0.00 58.87 53.81 2a55 n SER 50 Cb 0.00 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 2a55 n SER 50 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2a55 n ASP 51 N -0.33 3.45 0.00 -3.46 2.03 -1.26 -5.03 116.55 111.96 2a55 n ASP 51 Ca 0.43 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.74 2a55 n ASP 51 Cb 0.38 0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2a55 n GLY 52 N 3.06 -0.95 0.00 0.27 0.00 -1.26 -5.12 105.19 101.19 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 -3.42 1.61 0.28 -1.26 -4.36 120.64 113.49 2a55 n GLU 53 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 2a55 n GLU 53 Cb 0.00 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 32.78 2a55 n GLU 53 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2a55 s TRP 54 N -1.72 3.26 0.05 -1.84 0.52 -1.26 -3.03 118.94 114.92 2a55 s TRP 54 Ca 0.00 0.39 0.00 0.00 0.02 0.00 0.00 56.10 56.51 2a55 s TRP 54 Cb 0.00 -2.53 -0.04 0.00 -1.15 0.00 0.00 33.47 29.75 2a55 s TRP 54 CO 0.00 -0.19 0.18 0.08 0.02 0.00 0.00 176.95 177.04 2a55 s VAL 55 N 1.92 5.23 0.00 4.03 1.01 -1.01 -4.94 120.40 126.63 2a55 s VAL 55 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2a55 s VAL 55 Cb -0.16 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2a55 s VAL 55 CO 0.10 0.16 0.00 0.00 0.00 0.00 0.00 175.10 175.36 2a55 n TYR 56 N 0.41 0.00 -1.36 5.22 0.18 -1.26 -2.93 117.16 117.42 2a55 n TYR 56 Ca -0.06 0.00 0.18 0.00 1.88 0.00 0.00 57.90 59.90 2a55 n TYR 56 Cb 0.51 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.42 2a55 n TYR 56 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2a55 n ASN 57 N 0.00 -8.10 -4.33 9.48 4.13 -1.26 -4.57 115.26 110.61 2a55 n ASN 57 Ca 0.00 0.75 -0.46 0.00 1.68 0.00 0.00 54.58 56.55 2a55 n ASN 57 Cb 0.00 -4.24 -0.04 0.00 -1.54 0.00 0.00 39.78 33.96 2a55 n ASN 57 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2a55 s THR 58 N -2.67 5.28 -0.14 3.41 2.01 -1.26 -5.02 115.64 117.26 2a55 s THR 58 Ca 0.00 -1.81 -0.07 0.00 0.31 0.00 0.00 61.69 60.12 2a55 s THR 58 Cb 0.00 -4.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 2a55 s THR 58 CO 0.00 -1.01 0.12 0.72 -0.69 0.00 0.00 174.62 173.77 2a55 s PHE 59 N 1.26 3.51 -0.09 4.92 -0.12 -1.26 -4.77 117.98 121.43 2a55 s PHE 59 Ca 0.12 0.44 -0.07 0.00 -0.05 0.00 0.00 56.93 57.37 2a55 s PHE 59 Cb -0.20 -1.98 0.03 0.00 -0.63 0.00 0.00 43.02 40.24 2a55 s PHE 59 CO -0.02 0.61 0.13 0.00 -0.05 0.00 0.00 175.22 175.89 2a55 n ILE 61 N 1.50 1.53 -1.03 0.00 -5.35 -1.15 -4.59 119.36 110.27 2a55 n ILE 61 Ca -0.23 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.75 2a55 n ILE 61 Cb 0.35 -1.60 0.00 0.00 -1.74 0.00 0.00 39.64 36.65 2a55 n ILE 61 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2a55 n TYR 62 N -3.61 -1.04 -3.15 4.28 4.19 -1.25 -4.81 117.16 111.77 2a55 n TYR 62 Ca -0.47 0.62 0.04 0.00 3.31 0.00 0.00 57.90 61.41 2a55 n TYR 62 Cb 0.95 -2.37 -0.01 0.00 0.49 0.00 0.00 39.34 38.40 2a55 n TYR 62 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 2a55 s LYS 63 N -2.16 0.43 0.00 2.98 -2.85 -1.26 -4.81 119.74 112.07 2a55 s LYS 63 Ca 0.00 0.66 0.00 0.00 -1.00 0.00 0.00 55.97 55.63 2a55 s LYS 63 Cb 0.00 0.35 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 2a55 s LYS 63 CO 0.00 -0.58 0.00 2.89 0.10 0.00 0.00 175.35 177.76 2a55 n ARG 64 N 5.41 2.23 -4.19 1.78 0.00 -1.26 -3.19 116.66 117.44 2a55 n ARG 64 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.69 2a55 n ARG 64 Cb 0.53 0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.88 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 -2.57 4.05 -0.30 0.00 6.06 -1.26 -4.77 118.95 120.16 2a55 s ARG 66 Ca 0.05 2.35 -0.40 0.00 -2.50 0.00 0.00 55.73 55.24 2a55 s ARG 66 Cb -0.05 -2.88 -0.15 0.00 0.06 0.00 0.00 34.95 31.93 2a55 s ARG 66 CO 0.01 -0.50 1.82 0.72 -2.50 0.00 0.00 175.30 174.85 2a55 n HIS 67 N 0.33 1.98 -0.30 5.12 8.25 -1.26 -4.78 115.22 124.55 2a55 n HIS 67 Ca 0.02 0.51 0.29 0.00 -0.26 0.00 0.00 57.72 58.29 2a55 n HIS 67 Cb 0.41 -2.47 0.54 0.00 1.12 0.00 0.00 29.99 29.60 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 5.84 -0.05 0.00 -0.41 -0.02 -1.26 -4.90 135.00 134.19 2a55 n PRO 68 Ca 0.29 1.24 0.00 0.00 -2.02 0.00 0.00 63.50 63.02 2a55 n PRO 68 Cb 0.13 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 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 -1.25 0.75 3.72 -1.23 0.00 -1.26 -4.64 105.19 101.28 2a55 n GLY 69 Ca 0.35 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.08 4.60 -0.60 1.61 2.56 -1.26 -4.92 118.70 119.61 2a55 s GLU 70 Ca 0.00 1.51 -0.17 0.00 0.00 0.00 0.00 54.97 56.32 2a55 s GLU 70 Cb 0.00 -3.39 0.13 0.00 2.00 0.00 0.00 34.13 32.87 2a55 s GLU 70 CO 0.00 0.04 0.61 -1.17 -0.56 0.00 0.00 175.26 174.18 2a55 s LEU 71 N 0.48 6.01 0.14 2.70 2.96 -1.26 -4.92 118.68 124.78 2a55 s LEU 71 Ca 0.51 -1.82 -0.31 0.00 -0.22 0.00 0.00 54.13 52.28 2a55 s LEU 71 Cb -0.24 -2.24 -0.09 0.00 0.50 0.00 0.00 46.19 44.12 2a55 s LEU 71 CO 0.30 -0.90 1.55 -0.60 -1.32 0.00 0.00 176.35 175.37 2a55 s ARG 72 N 1.74 4.23 -0.26 1.98 3.52 -1.26 -1.00 118.95 127.90 2a55 s ARG 72 Ca 0.08 2.30 0.00 0.00 -0.13 0.00 0.00 55.73 57.98 2a55 s ARG 72 Cb -0.25 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 29.89 2a55 s ARG 72 CO 0.02 -0.60 0.00 0.09 -0.81 0.00 0.00 175.30 174.00 2a55 n ASN 73 N 4.26 -3.54 -0.69 -2.12 3.02 -1.26 -4.52 115.26 110.42 2a55 n ASN 73 Ca 0.14 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2a55 n ASN 73 Cb 0.40 -1.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.31 2a55 n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a55 n GLY 74 N -2.38 3.15 3.03 7.41 0.00 -0.17 -2.66 105.19 113.58 2a55 n GLY 74 Ca -0.02 -1.20 -0.20 0.00 0.00 0.00 0.00 46.02 44.60 2a55 n GLY 74 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a55 s GLN 75 N -1.06 0.89 -0.42 1.61 1.11 0.28 -4.70 119.66 117.38 2a55 s GLN 75 Ca 0.00 -0.35 -0.11 0.00 0.01 0.00 0.00 55.36 54.91 2a55 s GLN 75 Cb 0.00 -0.85 0.06 0.00 -1.01 0.00 0.00 33.01 31.21 2a55 s GLN 75 CO 0.00 0.19 0.27 0.08 0.01 0.00 0.00 175.29 175.84 2a55 s VAL 76 N -0.09 4.52 -0.99 1.09 1.01 -1.26 -1.14 120.40 123.54 2a55 s VAL 76 Ca 0.02 -1.18 -0.24 0.00 0.00 0.00 0.00 61.98 60.57 2a55 s VAL 76 Cb -0.06 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 2a55 s VAL 76 CO -0.00 -0.44 2.03 -0.70 0.00 0.00 0.00 175.10 175.99 2a55 s GLU 77 N 1.50 2.25 -0.12 2.72 2.12 -0.76 -4.91 118.70 121.51 2a55 s GLU 77 Ca 0.03 -0.46 -0.04 0.00 0.36 0.00 0.00 54.97 54.87 2a55 s GLU 77 Cb -0.22 -5.07 -0.03 0.00 0.26 0.00 0.00 34.13 29.07 2a55 s GLU 77 CO 0.04 -3.94 0.02 0.42 -0.54 0.00 0.00 175.26 171.27 2a55 s ILE 78 N 11.78 4.49 0.00 -3.70 -1.09 -1.26 -4.35 121.20 127.07 2a55 s ILE 78 Ca 0.74 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 2a55 s ILE 78 Cb -0.06 -2.93 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 2a55 s ILE 78 CO 0.07 0.57 0.00 2.29 -1.23 0.00 0.00 174.94 176.63 2a55 n LYS 79 N 2.56 0.00 0.00 2.79 0.00 -1.26 -4.92 118.16 117.33 2a55 n LYS 79 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 2a55 n LYS 79 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.56 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 -1.88 0.00 -0.97 0.58 -2.24 -1.26 -4.81 114.28 103.70 2a55 n THR 80 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2a55 n THR 80 Cb 0.00 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 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 -0.22 -5.54 -2.39 3.42 8.00 -1.26 -2.06 116.55 116.50 2a55 n ASP 81 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 2a55 n ASP 81 Cb 0.13 -3.33 0.04 0.00 -0.02 0.00 0.00 41.12 37.94 2a55 n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2a55 n LEU 82 N 0.00 -3.66 -4.71 0.64 7.99 -1.26 -4.58 117.00 111.42 2a55 n LEU 82 Ca 0.00 -0.36 -0.39 0.00 -0.01 0.00 0.00 56.01 55.25 2a55 n LEU 82 Cb 0.45 -1.95 -0.06 0.00 -0.11 0.00 0.00 43.42 41.76 2a55 n LEU 82 CO 0.00 0.11 0.25 -0.94 -1.51 0.00 0.00 177.39 175.30 2a55 s SER 83 N -3.40 6.76 0.18 -1.43 1.04 -0.87 -0.19 113.70 115.78 2a55 s SER 83 Ca 0.16 0.91 -0.21 0.00 0.48 0.00 0.00 55.95 57.29 2a55 s SER 83 Cb -0.02 -2.33 -0.13 0.00 0.10 0.00 0.00 66.02 63.64 2a55 s SER 83 CO 0.40 -0.07 0.36 0.33 0.98 0.00 0.00 173.24 175.24 2a55 n PHE 84 N 3.89 -0.55 -2.12 5.02 -0.00 -1.19 -2.79 117.46 119.72 2a55 n PHE 84 Ca -0.05 0.72 0.00 0.00 -0.00 0.00 0.00 57.45 58.12 2a55 n PHE 84 Cb 0.51 -1.51 0.00 0.00 -0.00 0.00 0.00 39.48 38.48 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 1.59 0.62 3.13 7.13 0.00 -1.07 -4.88 105.19 111.71 2a55 n GLY 85 Ca 0.13 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 2a55 n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a55 s SER 86 N -2.97 1.16 -0.13 1.61 0.01 -1.12 -4.96 113.70 107.30 2a55 s SER 86 Ca 0.00 -0.72 -0.02 0.00 1.31 0.00 0.00 55.95 56.52 2a55 s SER 86 Cb 0.00 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 2a55 s SER 86 CO 0.00 -0.26 -0.06 -1.58 0.41 0.00 0.00 173.24 171.75 2a55 s GLN 87 N -2.39 3.40 -0.41 12.44 -0.44 -1.26 -2.66 119.66 128.35 2a55 s GLN 87 Ca -0.01 -0.56 0.02 0.00 -2.50 0.00 0.00 55.36 52.32 2a55 s GLN 87 Cb -0.05 -2.78 0.12 0.00 -1.64 0.00 0.00 33.01 28.66 2a55 s GLN 87 CO -0.01 0.34 0.18 0.96 0.50 0.00 0.00 175.29 177.26 2a55 s ILE 88 N 0.08 1.62 1.14 -2.34 -4.36 -0.22 -4.92 121.20 112.22 2a55 s ILE 88 Ca -0.02 -2.40 -0.19 0.00 -0.26 0.00 0.00 60.65 57.79 2a55 s ILE 88 Cb -0.14 -2.16 0.29 0.00 1.25 0.00 0.00 42.46 41.70 2a55 s ILE 88 CO 0.03 -0.78 0.80 -0.62 0.24 0.00 0.00 174.94 174.61 2a55 n GLU 89 N 3.87 -3.74 -4.39 0.37 1.02 -1.26 -3.51 120.64 113.00 2a55 n GLU 89 Ca 0.05 -1.32 -0.21 0.00 -0.02 0.00 0.00 57.16 55.65 2a55 n GLU 89 Cb 0.37 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.21 2a55 n GLU 89 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2a55 s PHE 90 N -2.23 1.70 -0.28 -0.32 0.08 -1.17 -1.83 117.98 113.95 2a55 s PHE 90 Ca 0.57 -1.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.23 2a55 s PHE 90 Cb -0.08 -0.95 0.17 0.00 -0.57 0.00 0.00 43.02 41.58 2a55 s PHE 90 CO 0.46 -0.48 0.50 -1.12 -0.10 0.00 0.00 175.22 174.48 2a55 s SER 91 N -3.46 -0.64 -0.35 1.36 0.01 -0.29 -4.88 113.70 105.45 2a55 s SER 91 Ca 0.32 0.52 -0.25 0.00 1.31 0.00 0.00 55.95 57.86 2a55 s SER 91 Cb 0.04 1.68 0.01 0.00 0.21 0.00 0.00 66.02 67.96 2a55 s SER 91 CO 0.18 -0.28 0.88 0.00 0.41 0.00 0.00 173.24 174.43 2a55 n SER 93 N 6.59 -3.03 -4.31 0.00 7.64 -1.09 -4.60 113.62 114.81 2a55 n SER 93 Ca 0.06 0.06 -0.38 0.00 1.01 0.00 0.00 58.87 59.61 2a55 n SER 93 Cb 0.48 -0.88 0.02 0.00 -1.01 0.00 0.00 64.21 62.82 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2a55 n GLU 94 N -0.24 0.17 0.00 1.43 2.13 -1.26 -1.26 120.64 121.60 2a55 n GLU 94 Ca 0.01 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.90 2a55 n GLU 94 Cb 0.62 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 31.08 2a55 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2a55 n GLY 95 N 2.29 1.45 3.46 8.31 0.00 -1.26 -4.91 105.19 114.53 2a55 n GLY 95 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 3.01 0.44 1.61 0.40 -0.39 0.66 117.98 123.71 2a55 s PHE 96 Ca 0.00 -0.42 0.07 0.00 -0.60 0.00 0.00 56.93 55.98 2a55 s PHE 96 Cb 0.00 -2.00 0.01 0.00 0.51 0.00 0.00 43.02 41.54 2a55 s PHE 96 CO 0.00 -0.15 0.61 -0.59 0.70 0.00 0.00 175.22 175.79 2a55 s PHE 97 N 0.65 2.83 0.08 0.36 -0.71 -0.28 -3.91 117.98 117.01 2a55 s PHE 97 Ca -0.02 -0.32 -0.24 0.00 -1.04 0.00 0.00 56.93 55.32 2a55 s PHE 97 Cb -0.14 -2.44 -0.06 0.00 -1.21 0.00 0.00 43.02 39.16 2a55 s PHE 97 CO 0.02 -0.50 0.72 -1.17 -1.34 0.00 0.00 175.22 172.95 2a55 s LEU 98 N -4.43 4.51 -0.26 -1.99 1.98 -1.26 -3.02 118.68 114.21 2a55 s LEU 98 Ca 0.55 1.45 -0.09 0.00 -2.89 0.00 0.00 54.13 53.16 2a55 s LEU 98 Cb -0.10 -3.16 0.11 0.00 0.66 0.00 0.00 46.19 43.70 2a55 s LEU 98 CO 0.34 0.13 0.55 -0.63 -1.89 0.00 0.00 176.35 174.85 2a55 s ILE 99 N -0.61 -0.85 0.00 6.68 1.01 -0.71 -4.99 121.20 121.73 2a55 s ILE 99 Ca 0.35 0.07 0.00 0.00 0.00 0.00 0.00 60.65 61.07 2a55 s ILE 99 Cb -0.21 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.40 2a55 s ILE 99 CO 0.23 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.81 2a55 n GLY 100 N 5.42 1.86 0.00 6.18 0.00 -1.26 0.96 105.19 118.35 2a55 n GLY 100 Ca -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 1.61 2.88 -1.26 -5.02 113.62 111.83 2a55 n SER 101 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 2a55 n SER 101 Cb 0.00 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.57 2a55 n SER 101 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2a55 n THR 102 N 0.00 1.25 -4.41 2.46 -1.04 -1.26 -4.60 114.28 106.68 2a55 n THR 102 Ca 0.00 0.31 -0.26 0.00 -2.04 0.00 0.00 64.05 62.06 2a55 n THR 102 Cb 0.00 -1.23 -0.11 0.00 -1.82 0.00 0.00 70.33 67.17 2a55 n THR 102 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2a55 s THR 103 N -2.74 2.55 -0.18 12.58 -4.23 -1.26 -3.01 115.64 119.34 2a55 s THR 103 Ca 0.04 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 58.45 2a55 s THR 103 Cb 0.03 -2.26 0.09 0.00 1.34 0.00 0.00 72.50 71.70 2a55 s THR 103 CO 0.08 -0.19 0.28 -0.55 -0.54 0.00 0.00 174.62 173.70 2a55 s SER 104 N -2.91 0.69 0.07 3.99 0.15 -1.23 -4.85 113.70 109.60 2a55 s SER 104 Ca 0.24 0.22 0.03 0.00 0.70 0.00 0.00 55.95 57.14 2a55 s SER 104 Cb -0.07 0.70 -0.04 0.00 -1.71 0.00 0.00 66.02 64.90 2a55 s SER 104 CO 0.12 -0.28 0.04 -0.13 1.20 0.00 0.00 173.24 174.19 2a55 s ARG 105 N 2.42 2.76 -0.31 5.44 0.52 -1.26 -1.05 118.95 127.47 2a55 s ARG 105 Ca 0.06 -0.72 -0.17 0.00 -0.52 0.00 0.00 55.73 54.38 2a55 s ARG 105 Cb -0.14 -2.66 -0.02 0.00 0.52 0.00 0.00 34.95 32.65 2a55 s ARG 105 CO -0.12 0.57 0.46 0.00 0.02 0.00 0.00 175.30 176.24 2a55 s GLU 107 N 2.25 2.18 -0.03 0.00 2.12 -0.69 -2.61 118.70 121.92 2a55 s GLU 107 Ca 0.17 -2.37 0.01 0.00 0.36 0.00 0.00 54.97 53.14 2a55 s GLU 107 Cb -0.16 -1.56 0.02 0.00 0.26 0.00 0.00 34.13 32.69 2a55 s GLU 107 CO 0.11 -0.35 -0.04 0.08 -0.54 0.00 0.00 175.26 174.52 2a55 s VAL 108 N -2.86 0.46 -0.75 3.70 1.01 -1.26 0.73 120.40 121.42 2a55 s VAL 108 Ca 0.08 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 2a55 s VAL 108 Cb 0.02 -0.48 0.19 0.00 0.00 0.00 0.00 36.38 36.11 2a55 s VAL 108 CO 0.04 0.19 0.72 -1.10 0.00 0.00 0.00 175.10 174.96 2a55 s GLN 109 N 0.73 3.42 2.47 2.72 -1.52 -0.51 -4.73 119.66 122.23 2a55 s GLN 109 Ca -0.09 -2.18 0.00 0.00 -1.95 0.00 0.00 55.36 51.14 2a55 s GLN 109 Cb -0.12 -4.42 0.00 0.00 -0.22 0.00 0.00 33.01 28.25 2a55 s GLN 109 CO -0.00 -1.34 0.00 -0.25 -0.25 0.00 0.00 175.29 173.45 2a55 n ASP 110 N 4.55 0.00 0.00 5.90 8.00 -1.26 -0.78 116.55 132.96 2a55 n ASP 110 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2a55 n ASP 110 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2a55 n ASP 110 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2a55 n ARG 111 N 0.00 0.72 -3.99 -1.24 -4.01 -1.26 -4.94 116.66 101.94 2a55 n ARG 111 Ca 0.00 -0.83 -0.31 0.00 -1.04 0.00 0.00 57.85 55.67 2a55 n ARG 111 Cb 0.00 -0.91 -0.15 0.00 -3.04 0.00 0.00 32.46 28.36 2a55 n ARG 111 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 2a55 s GLY 112 N -0.38 1.82 0.13 2.89 0.00 0.04 -5.09 107.32 106.73 2a55 s GLY 112 Ca 0.00 -2.38 -0.33 0.00 0.00 0.00 0.00 44.72 42.01 2a55 s GLY 112 CO 0.00 0.99 0.81 -0.62 0.00 0.00 0.00 173.10 174.28 2a55 n VAL 113 N 4.33 1.18 -5.09 1.40 0.31 -1.26 -1.43 118.33 117.77 2a55 n VAL 113 Ca 0.02 -0.29 -0.31 0.00 -0.01 0.00 0.00 64.34 63.75 2a55 n VAL 113 Cb 0.42 -0.16 -0.15 0.00 -0.91 0.00 0.00 33.84 33.04 2a55 n VAL 113 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2a55 s GLY 114 N -0.51 1.35 -0.29 2.92 0.00 0.22 -4.63 107.32 106.38 2a55 s GLY 114 Ca 0.74 -1.19 -0.20 0.00 0.00 0.00 0.00 44.72 44.08 2a55 s GLY 114 CO 0.56 -1.03 0.60 -0.98 0.00 0.00 0.00 173.10 172.25 2a55 s TRP 115 N -0.72 3.23 0.00 1.90 0.23 -1.26 -1.70 118.94 120.63 2a55 s TRP 115 Ca 0.11 0.60 0.00 0.00 -2.03 0.00 0.00 56.10 54.78 2a55 s TRP 115 Cb -0.10 -2.92 0.00 0.00 0.03 0.00 0.00 33.47 30.48 2a55 s TRP 115 CO 0.01 -0.42 0.84 0.43 0.96 0.00 0.00 176.95 178.77 2a55 n SER 116 N 5.79 0.00 -3.87 2.95 7.64 -1.18 -4.80 113.62 120.15 2a55 n SER 116 Ca -0.02 0.84 -0.18 0.00 1.01 0.00 0.00 58.87 60.53 2a55 n SER 116 Cb 0.49 -0.34 -0.16 0.00 -1.01 0.00 0.00 64.21 63.19 2a55 n SER 116 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2a55 s HIS 117 N -2.37 0.52 0.00 1.43 3.76 -1.26 -5.06 115.29 112.31 2a55 s HIS 117 Ca 0.00 -0.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 2a55 s HIS 117 Cb 0.00 -0.49 0.00 0.00 1.11 0.00 0.00 32.58 33.20 2a55 s HIS 117 CO 0.00 -0.13 0.00 -0.35 -0.85 0.00 0.00 174.74 173.41 2a55 n PRO 118 N 3.89 3.02 -1.66 8.40 -0.04 -1.26 -4.70 135.00 142.64 2a55 n PRO 118 Ca -0.24 0.00 -0.54 0.00 -0.04 0.00 0.00 63.50 62.68 2a55 n PRO 118 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.91 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 2.27 0.00 1.53 7.99 -1.26 -4.95 117.00 122.58 2a55 n LEU 119 Ca 0.00 1.08 0.00 0.00 -0.01 0.00 0.00 56.01 57.08 2a55 n LEU 119 Cb 0.00 -1.20 0.00 0.00 -0.11 0.00 0.00 43.42 42.11 2a55 n LEU 119 CO 0.00 -0.61 0.00 -0.81 -1.51 0.00 0.00 177.39 174.46 2a55 n PRO 120 N 4.34 3.38 -3.79 3.23 -0.04 -1.26 -5.04 135.00 135.82 2a55 n PRO 120 Ca 0.23 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.43 2a55 n PRO 120 Cb 0.18 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.47 2a55 n PRO 120 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2a55 s GLN 121 N 0.00 0.81 -0.43 0.54 2.00 0.27 -4.96 119.66 117.89 2a55 s GLN 121 Ca 0.00 -0.15 -0.13 0.00 -2.00 0.00 0.00 55.36 53.09 2a55 s GLN 121 Cb 0.00 -1.48 0.06 0.00 0.80 0.00 0.00 33.01 32.40 2a55 s GLN 121 CO 0.00 -0.41 0.31 0.00 -0.50 0.00 0.00 175.29 174.69 2a55 s GLU 123 N 1.56 1.74 0.64 0.00 2.56 -1.17 -4.89 118.70 119.14 2a55 s GLU 123 Ca 0.03 -1.04 -0.17 0.00 0.00 0.00 0.00 54.97 53.79 2a55 s GLU 123 Cb -0.22 -1.87 -0.01 0.00 2.00 0.00 0.00 34.13 34.02 2a55 s GLU 123 CO 0.05 0.49 1.19 -1.50 -0.56 0.00 0.00 175.26 174.93 2a55 s ILE 124 N -0.77 2.66 -0.10 -3.70 1.10 -1.26 -1.12 121.20 118.00 2a55 s ILE 124 Ca 0.11 0.36 -0.01 0.00 -0.51 0.00 0.00 60.65 60.60 2a55 s ILE 124 Cb -0.10 -3.03 -0.00 0.00 0.15 0.00 0.00 42.46 39.48 2a55 s ILE 124 CO 0.02 -0.13 -0.02 -0.07 -2.11 0.00 0.00 174.94 172.62 2a55 h LEU 125 N 0.41 0.00 -8.38 8.50 3.38 -0.16 -3.46 115.31 115.60 2a55 h LEU 125 Ca -0.49 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.16 2a55 h LEU 125 Cb 1.29 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.85 2a55 h LEU 125 CO 0.53 0.51 -0.74 -1.83 0.09 0.00 0.00 178.44 177.01 2a55 s GLU 126 N -1.61 0.77 0.55 1.13 -1.05 -1.26 -5.14 118.70 112.08 2a55 s GLU 126 Ca -0.02 -1.06 -0.03 0.00 -0.15 0.00 0.00 54.97 53.72 2a55 s GLU 126 Cb 0.00 -0.50 0.01 0.00 -0.44 0.00 0.00 34.13 33.21 2a55 s GLU 126 CO 0.03 0.08 0.82 -1.01 0.95 0.00 0.00 175.26 176.13 2a55 s HIS 127 N -2.13 3.16 0.26 4.83 3.76 -1.26 -5.09 115.29 118.82 2a55 s HIS 127 Ca 0.02 0.40 0.08 0.00 -0.15 0.00 0.00 55.06 55.40 2a55 s HIS 127 Cb -0.05 -2.64 -0.05 0.00 1.11 0.00 0.00 32.58 30.95 2a55 s HIS 127 CO 0.00 -0.73 -0.12 -1.01 -0.85 0.00 0.00 174.74 172.03 2a55 s HIS 128 N -2.84 1.98 0.00 1.40 0.09 -1.26 -5.09 115.29 109.57 2a55 s HIS 128 Ca 0.53 -0.57 0.00 0.00 -0.00 0.00 0.00 55.06 55.02 2a55 s HIS 128 Cb -0.10 -1.01 0.00 0.00 -0.00 0.00 0.00 32.58 31.47 2a55 s HIS 128 CO 0.42 0.41 0.00 1.58 -0.00 0.00 0.00 174.74 177.15 2a55 n HIS 129 N -0.54 0.00 0.09 1.40 -0.00 -1.26 -4.90 115.22 110.00 2a55 n HIS 129 Ca -0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.53 2a55 n HIS 129 Cb 0.62 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.52 2a55 n HIS 129 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2a55 h HIS 130 N 0.00 0.39 0.00 1.57 -0.00 -2.08 -3.10 115.15 111.93 2a55 h HIS 130 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 2a55 h HIS 130 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.38 2a55 h HIS 130 CO 0.00 1.14 0.00 1.58 -0.00 0.00 0.00 177.93 180.65 2a55 n HIS 131 N -3.57 0.06 0.00 5.26 -0.00 -1.26 -5.36 115.22 110.35 2a55 n HIS 131 Ca -0.06 0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 2a55 n HIS 131 Cb 0.93 -0.54 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 2a55 n HIS 131 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92