#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b33 s ARG 3 N 0.00 1.29 0.13 1.97 1.70 0.06 -5.04 118.95 119.06 2b33 s ARG 3 Ca 0.00 -0.48 0.07 0.00 -0.47 0.00 0.00 55.73 54.85 2b33 s ARG 3 Cb 0.00 0.59 -0.04 0.00 -0.57 0.00 0.00 34.95 34.93 2b33 s ARG 3 CO 0.00 -0.56 -0.05 -0.06 -1.08 0.00 0.00 175.30 173.55 2b33 s PHE 4 N -3.74 2.81 -0.21 5.89 0.08 -1.26 0.67 117.98 122.22 2b33 s PHE 4 Ca 0.01 -0.13 -0.05 0.00 0.12 0.00 0.00 56.93 56.88 2b33 s PHE 4 Cb -0.01 -1.42 -0.02 0.00 -0.57 0.00 0.00 43.02 41.00 2b33 s PHE 4 CO -0.12 0.48 0.01 0.08 -0.10 0.00 0.00 175.22 175.56 2b33 s VAL 5 N -1.46 3.95 -0.15 -0.44 1.01 -0.82 -4.92 120.40 117.57 2b33 s VAL 5 Ca 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2b33 s VAL 5 Cb -0.10 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.52 2b33 s VAL 5 CO 0.16 0.41 -0.06 -1.61 0.00 0.00 0.00 175.10 174.01 2b33 s GLU 6 N 1.15 1.44 0.00 2.72 2.02 -1.26 -3.72 118.70 121.05 2b33 s GLU 6 Ca 0.03 -0.44 0.01 0.00 0.02 0.00 0.00 54.97 54.58 2b33 s GLU 6 Cb -0.14 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 32.19 2b33 s GLU 6 CO 0.01 -0.39 -0.02 -0.08 0.02 0.00 0.00 175.26 174.80 2b33 s THR 7 N 1.66 0.15 -1.39 3.63 -1.32 -1.26 -5.03 115.64 112.08 2b33 s THR 7 Ca 0.02 -0.26 0.27 0.00 -1.21 0.00 0.00 61.69 60.51 2b33 s THR 7 Cb -0.15 -0.17 0.45 0.00 -1.51 0.00 0.00 72.50 71.13 2b33 s THR 7 CO -0.08 -0.07 1.92 -0.90 -2.21 0.00 0.00 174.62 173.27 2b33 n ASP 8 N 2.72 0.00 -0.15 8.08 5.75 -1.26 -3.33 116.55 128.36 2b33 n ASP 8 Ca -0.15 -0.05 0.14 0.00 -0.01 0.00 0.00 54.79 54.73 2b33 n ASP 8 Cb 0.58 -0.30 0.63 0.00 -1.03 0.00 0.00 41.12 41.00 2b33 n ASP 8 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2b33 n LYS 9 N -1.30 0.82 -4.17 0.11 4.76 -1.26 -4.68 118.16 112.45 2b33 n LYS 9 Ca 0.12 -0.29 -0.13 0.00 -2.87 0.00 0.00 58.31 55.14 2b33 n LYS 9 Cb 0.22 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 31.81 2b33 n LYS 9 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2b33 s ALA 10 N -2.38 1.03 0.42 7.82 0.00 -1.21 -4.75 121.76 122.69 2b33 s ALA 10 Ca 0.31 -1.21 -0.25 0.00 0.00 0.00 0.00 51.96 50.82 2b33 s ALA 10 Cb 0.20 0.07 -0.10 0.00 0.00 0.00 0.00 23.12 23.29 2b33 s ALA 10 CO 0.45 -0.10 1.18 -2.30 0.00 0.00 0.00 175.76 174.99 2b33 n PRO 11 N 0.44 1.70 -2.12 0.00 -0.02 -1.26 -4.81 135.00 128.93 2b33 n PRO 11 Ca -0.15 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 2b33 n PRO 11 Cb 0.58 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 2b33 n PRO 11 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2b33 s LYS 12 N -2.15 4.31 -0.74 -0.52 0.00 -1.26 -4.92 119.74 114.46 2b33 s LYS 12 Ca 0.62 2.15 -0.26 0.00 0.00 0.00 0.00 55.97 58.48 2b33 s LYS 12 Cb -0.53 -3.20 0.00 0.00 0.00 0.00 0.00 37.83 34.10 2b33 s LYS 12 CO 0.57 -0.43 1.61 0.00 0.00 0.00 0.00 175.35 177.10 2b33 s ALA 13 N 0.81 2.38 -0.02 0.59 0.00 -1.26 -4.86 121.76 119.40 2b33 s ALA 13 Ca 0.64 -1.20 -0.24 0.00 0.00 0.00 0.00 51.96 51.16 2b33 s ALA 13 Cb -0.39 -4.35 -0.17 0.00 0.00 0.00 0.00 23.12 18.22 2b33 s ALA 13 CO 0.33 -3.76 1.11 0.82 0.00 0.00 0.00 175.76 174.26 2b33 h ILE 14 N 6.61 0.87 -0.44 0.00 2.04 -1.91 -3.46 117.51 121.22 2b33 h ILE 14 Ca -0.17 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2b33 h ILE 14 Cb 1.08 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 2b33 h ILE 14 CO 1.26 0.18 0.00 0.61 0.00 0.00 0.00 178.15 180.21 2b33 n GLY 15 N 0.11 -0.60 2.12 5.37 0.00 -1.26 -4.87 105.19 106.06 2b33 n GLY 15 Ca -0.09 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.25 2b33 n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2b33 n PRO 16 N 0.00 2.56 -3.87 1.61 -0.04 -1.26 -4.84 135.00 129.17 2b33 n PRO 16 Ca 0.00 -1.44 -0.09 0.00 -0.04 0.00 0.00 63.50 61.92 2b33 n PRO 16 Cb 0.00 -2.25 -0.05 0.00 -0.04 0.00 0.00 33.50 31.16 2b33 n PRO 16 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2b33 s TYR 17 N 1.21 0.15 0.21 0.54 1.13 -1.26 -5.18 117.35 114.15 2b33 s TYR 17 Ca 0.67 -0.51 0.10 0.00 -1.41 0.00 0.00 57.07 55.92 2b33 s TYR 17 Cb 0.28 0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 41.29 2b33 s TYR 17 CO -0.03 -0.86 -0.10 -1.12 -2.51 0.00 0.00 175.55 170.93 2b33 s SER 18 N -2.93 4.17 0.24 -0.18 0.01 -1.26 -4.74 113.70 109.01 2b33 s SER 18 Ca 0.14 -0.67 -0.07 0.00 1.31 0.00 0.00 55.95 56.67 2b33 s SER 18 Cb 0.01 -0.66 0.26 0.00 0.21 0.00 0.00 66.02 65.83 2b33 s SER 18 CO 0.00 0.07 1.90 1.56 0.41 0.00 0.00 173.24 177.19 2b33 h GLN 19 N 2.63 1.19 -3.12 12.44 4.20 -1.93 -3.41 115.11 127.11 2b33 h GLN 19 Ca -0.45 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.20 2b33 h GLN 19 Cb 1.22 -0.27 -0.08 0.00 0.30 0.00 0.00 27.48 28.65 2b33 h GLN 19 CO 0.56 0.79 0.15 0.00 -0.67 0.00 0.00 178.83 179.65 2b33 s ALA 20 N -6.11 -1.19 -0.06 3.87 0.00 -1.25 -0.50 121.76 116.53 2b33 s ALA 20 Ca -0.13 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2b33 s ALA 20 Cb 0.18 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.19 2b33 s ALA 20 CO 0.81 -0.89 -0.04 0.08 0.00 0.00 0.00 175.76 175.71 2b33 s VAL 21 N -3.87 0.60 -0.23 0.00 1.01 -0.94 -1.95 120.40 115.03 2b33 s VAL 21 Ca 0.08 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 2b33 s VAL 21 Cb -0.03 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2b33 s VAL 21 CO -0.01 0.26 0.06 -0.69 0.00 0.00 0.00 175.10 174.73 2b33 s VAL 22 N 1.25 4.42 -0.16 2.92 1.01 0.21 -1.34 120.40 128.71 2b33 s VAL 22 Ca -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 2b33 s VAL 22 Cb -0.14 -3.04 0.04 0.00 0.00 0.00 0.00 36.38 33.24 2b33 s VAL 22 CO -0.02 0.37 -0.05 0.54 0.00 0.00 0.00 175.10 175.95 2b33 s VAL 23 N 1.25 1.02 0.00 2.92 0.11 0.03 -0.76 120.40 124.97 2b33 s VAL 23 Ca 0.05 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.54 2b33 s VAL 23 Cb -0.14 -1.21 0.00 0.00 -1.53 0.00 0.00 36.38 33.50 2b33 s VAL 23 CO 0.03 0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.55 2b33 n GLY 24 N 4.91 3.43 1.10 6.54 0.00 -1.26 -1.46 105.19 118.44 2b33 n GLY 24 Ca -0.11 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 45.91 2b33 n GLY 24 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2b33 n ASN 25 N 7.53 3.21 -4.66 1.61 6.94 -1.26 -4.96 115.26 123.67 2b33 n ASN 25 Ca 0.00 -1.97 -0.33 0.00 -0.02 0.00 0.00 54.58 52.27 2b33 n ASN 25 Cb 0.00 -0.33 -0.09 0.00 -2.36 0.00 0.00 39.78 37.00 2b33 n ASN 25 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2b33 s MET 26 N -1.34 2.74 -0.05 -3.83 -1.94 -0.54 -1.93 119.30 112.42 2b33 s MET 26 Ca 0.40 -0.62 0.04 0.00 -1.71 0.00 0.00 55.69 53.80 2b33 s MET 26 Cb 0.22 -2.64 -0.00 0.00 2.01 0.00 0.00 34.83 34.42 2b33 s MET 26 CO 0.29 0.63 -0.17 1.41 -0.01 0.00 0.00 175.02 177.17 2b33 s MET 27 N -1.45 1.84 -0.35 2.03 1.75 0.34 -0.79 119.30 122.67 2b33 s MET 27 Ca 0.18 -0.59 -0.02 0.00 -1.25 0.00 0.00 55.69 54.02 2b33 s MET 27 Cb -0.11 -1.56 0.08 0.00 2.84 0.00 0.00 34.83 36.07 2b33 s MET 27 CO 0.09 0.20 0.09 -0.06 -0.65 0.00 0.00 175.02 174.69 2b33 s PHE 28 N 0.17 3.45 0.04 4.11 0.40 -0.45 -0.75 117.98 124.95 2b33 s PHE 28 Ca -0.07 -2.21 -0.18 0.00 -0.60 0.00 0.00 56.93 53.87 2b33 s PHE 28 Cb -0.13 -2.66 -0.06 0.00 0.51 0.00 0.00 43.02 40.68 2b33 s PHE 28 CO 0.03 -0.89 0.53 0.08 0.70 0.00 0.00 175.22 175.67 2b33 s VAL 29 N 1.17 4.85 0.58 -0.44 1.01 -0.19 -2.22 120.40 125.17 2b33 s VAL 29 Ca 0.02 1.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.95 2b33 s VAL 29 Cb -0.21 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2b33 s VAL 29 CO -0.03 0.53 1.08 -0.44 0.00 0.00 0.00 175.10 176.24 2b33 s SER 30 N -0.92 5.72 0.09 3.32 0.01 0.35 -3.37 113.70 118.90 2b33 s SER 30 Ca 0.28 1.95 -0.31 0.00 1.31 0.00 0.00 55.95 59.18 2b33 s SER 30 Cb -0.18 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.40 2b33 s SER 30 CO 0.17 -1.21 1.88 -0.83 0.41 0.00 0.00 173.24 173.65 2b33 s GLY 31 N -2.40 1.38 -0.09 3.44 0.00 -1.26 -4.60 107.32 103.78 2b33 s GLY 31 Ca 0.67 1.41 -0.11 0.00 0.00 0.00 0.00 44.72 46.69 2b33 s GLY 31 CO 0.33 3.26 0.24 1.20 0.00 0.00 0.00 173.10 178.13 2b33 s GLN 32 N 3.33 3.75 0.29 2.90 -1.52 0.52 -4.83 119.66 124.10 2b33 s GLN 32 Ca 0.83 0.06 0.10 0.00 -1.95 0.00 0.00 55.36 54.40 2b33 s GLN 32 Cb -0.45 -3.25 -0.05 0.00 -0.22 0.00 0.00 33.01 29.05 2b33 s GLN 32 CO 0.38 0.64 -0.04 0.96 -0.25 0.00 0.00 175.29 176.98 2b33 s ILE 33 N -0.73 3.02 -1.02 1.08 -4.36 -1.26 -1.86 121.20 116.06 2b33 s ILE 33 Ca 0.17 -2.03 -0.21 0.00 -0.26 0.00 0.00 60.65 58.31 2b33 s ILE 33 Cb -0.13 -2.71 -0.10 0.00 1.25 0.00 0.00 42.46 40.76 2b33 s ILE 33 CO 0.06 -0.33 1.93 -0.81 0.24 0.00 0.00 174.94 176.03 2b33 n PRO 34 N -0.86 1.76 -5.23 0.37 -0.04 -1.26 -4.45 135.00 125.30 2b33 n PRO 34 Ca -0.05 -2.26 -0.31 0.00 -0.04 0.00 0.00 63.50 60.84 2b33 n PRO 34 Cb 0.60 -3.31 -0.16 0.00 -0.04 0.00 0.00 33.50 30.59 2b33 n PRO 34 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2b33 s ILE 35 N 7.20 1.99 -0.04 0.52 1.01 -1.26 -0.99 121.20 129.63 2b33 s ILE 35 Ca 0.61 -1.04 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 2b33 s ILE 35 Cb 0.08 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 2b33 s ILE 35 CO 0.11 0.56 1.03 -0.62 0.00 0.00 0.00 174.94 176.02 2b33 s ASP 36 N -0.27 7.27 0.52 3.58 -1.08 -0.56 -4.73 116.67 121.40 2b33 s ASP 36 Ca 0.00 1.66 0.26 0.00 -0.52 0.00 0.00 52.55 53.95 2b33 s ASP 36 Cb -0.12 -2.56 1.46 0.00 -1.46 0.00 0.00 42.92 40.23 2b33 s ASP 36 CO 0.02 -0.38 2.10 -0.65 0.52 0.00 0.00 175.17 176.78 2b33 h PRO 37 N 6.97 0.00 0.07 4.34 0.11 -1.88 -0.66 132.00 140.94 2b33 h PRO 37 Ca -0.37 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.39 2b33 h PRO 37 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2b33 h PRO 37 CO 0.81 0.10 -1.98 0.39 -0.21 0.00 0.00 178.00 177.11 2b33 n GLU 38 N -3.78 0.68 0.09 1.05 4.71 -1.26 -4.49 120.64 117.65 2b33 n GLU 38 Ca -0.02 0.31 0.12 0.00 -0.01 0.00 0.00 57.16 57.55 2b33 n GLU 38 Cb 0.21 -1.66 0.03 0.00 -1.01 0.00 0.00 31.44 29.00 2b33 n GLU 38 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2b33 n THR 39 N -3.71 0.53 -1.00 2.62 -2.24 -1.24 -4.97 114.28 104.26 2b33 n THR 39 Ca -0.37 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 2b33 n THR 39 Cb 0.95 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 2b33 n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b33 n GLY 40 N 1.22 0.29 3.89 3.38 0.00 -0.26 -5.00 105.19 108.71 2b33 n GLY 40 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2b33 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b33 s GLU 41 N -0.85 3.66 0.08 1.61 2.02 -1.25 -4.75 118.70 119.21 2b33 s GLU 41 Ca 0.00 -0.01 -0.30 0.00 0.02 0.00 0.00 54.97 54.68 2b33 s GLU 41 Cb 0.00 -2.89 -0.06 0.00 0.10 0.00 0.00 34.13 31.28 2b33 s GLU 41 CO 0.00 0.49 1.20 -0.51 0.02 0.00 0.00 175.26 176.46 2b33 s LEU 42 N -2.42 4.39 0.17 1.80 1.43 -1.26 -1.50 118.68 121.29 2b33 s LEU 42 Ca 0.38 2.05 -0.32 0.00 -1.03 0.00 0.00 54.13 55.22 2b33 s LEU 42 Cb -0.13 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.41 2b33 s LEU 42 CO 0.22 -0.45 1.58 -0.69 0.23 0.00 0.00 176.35 177.24 2b33 s VAL 43 N 0.86 2.57 -0.19 -1.59 1.01 -0.16 -4.96 120.40 117.95 2b33 s VAL 43 Ca 0.58 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.97 2b33 s VAL 43 Cb -0.30 -3.26 0.05 0.00 0.00 0.00 0.00 36.38 32.86 2b33 s VAL 43 CO 0.30 0.03 -0.07 -1.58 0.00 0.00 0.00 175.10 173.79 2b33 s GLN 44 N 1.12 1.66 0.00 2.72 0.74 -1.26 -4.92 119.66 119.72 2b33 s GLN 44 Ca 0.70 -0.73 0.00 0.00 0.05 0.00 0.00 55.36 55.38 2b33 s GLN 44 Cb -0.44 -2.29 0.00 0.00 1.10 0.00 0.00 33.01 31.38 2b33 s GLN 44 CO 0.31 -0.47 0.00 0.41 -0.55 0.00 0.00 175.29 174.99 2b33 n GLY 45 N 4.77 -0.62 3.89 2.59 0.00 -1.26 -5.10 105.19 109.45 2b33 n GLY 45 Ca -0.13 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 2b33 n GLY 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2b33 s THR 46 N -2.70 3.76 0.36 2.61 -4.23 -1.26 -4.94 115.64 109.25 2b33 s THR 46 Ca 0.00 0.47 0.18 0.00 -1.18 0.00 0.00 61.69 61.16 2b33 s THR 46 Cb 0.00 -3.55 0.17 0.00 1.34 0.00 0.00 72.50 70.46 2b33 s THR 46 CO 0.00 -0.70 1.91 -0.29 -0.54 0.00 0.00 174.62 174.99 2b33 h ILE 47 N -0.50 0.99 -0.36 2.99 6.09 -1.99 -2.47 117.51 122.26 2b33 h ILE 47 Ca -0.45 -1.01 -0.04 0.00 -1.37 0.00 0.00 64.86 62.00 2b33 h ILE 47 Cb 1.24 1.58 -0.01 0.00 0.47 0.00 0.00 36.82 40.09 2b33 h ILE 47 CO 0.63 0.27 0.08 -0.33 -3.07 0.00 0.00 178.15 175.73 2b33 h GLU 48 N 0.00 0.58 -0.78 2.19 3.07 -1.93 -0.17 114.58 117.54 2b33 h GLU 48 Ca -0.00 -0.14 -0.03 0.00 -0.50 0.00 0.00 59.36 58.69 2b33 h GLU 48 Cb 0.55 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.35 2b33 h GLU 48 CO 0.04 0.62 0.36 0.93 -1.40 0.00 0.00 179.01 179.56 2b33 h GLU 49 N 0.43 1.13 -0.34 2.33 5.08 -1.90 0.46 114.58 121.77 2b33 h GLU 49 Ca 0.11 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 2b33 h GLU 49 Cb 0.31 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2b33 h GLU 49 CO 0.00 0.88 -0.18 0.87 -1.00 0.00 0.00 179.01 179.57 2b33 h LYS 50 N 1.11 0.72 -0.45 2.33 1.57 -1.31 -2.66 116.57 117.88 2b33 h LYS 50 Ca 0.27 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 2b33 h LYS 50 Cb 0.13 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2b33 h LYS 50 CO -0.03 0.93 -0.08 1.15 -0.57 0.00 0.00 179.45 180.85 2b33 h THR 51 N 0.49 1.25 -0.19 -0.16 2.02 -0.82 -2.12 112.91 113.38 2b33 h THR 51 Ca 0.07 -1.12 0.01 0.00 0.77 0.00 0.00 66.41 66.15 2b33 h THR 51 Cb 0.73 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 2b33 h THR 51 CO 0.05 0.39 0.09 -0.08 0.37 0.00 0.00 175.52 176.34 2b33 h GLU 52 N 0.72 0.19 -0.05 6.66 4.81 -0.86 -0.90 114.58 125.15 2b33 h GLU 52 Ca 0.13 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2b33 h GLU 52 Cb 0.55 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 2b33 h GLU 52 CO 0.03 0.13 0.03 -0.09 -0.73 0.00 0.00 179.01 178.38 2b33 h ARG 53 N 0.20 0.07 -0.27 1.92 9.65 -1.34 0.14 114.38 124.76 2b33 h ARG 53 Ca 0.08 -0.01 0.05 0.00 -1.10 0.00 0.00 59.98 59.01 2b33 h ARG 53 Cb 0.02 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.53 2b33 h ARG 53 CO -0.06 0.08 -0.08 0.28 2.80 0.00 0.00 179.97 183.00 2b33 h VAL 54 N 0.05 0.71 -0.04 0.20 2.07 -1.24 0.11 116.25 118.11 2b33 h VAL 54 Ca 0.02 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.44 2b33 h VAL 54 Cb 0.02 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2b33 h VAL 54 CO -0.00 0.00 -0.46 -0.07 0.02 0.00 0.00 177.57 177.05 2b33 h LEU 55 N -0.02 0.09 -0.60 2.57 3.38 -1.00 -0.75 115.31 118.98 2b33 h LEU 55 Ca 0.13 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 2b33 h LEU 55 Cb 0.21 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2b33 h LEU 55 CO -0.28 0.54 -0.19 -0.33 0.09 0.00 0.00 178.44 178.27 2b33 h GLU 56 N 0.07 0.91 -0.21 1.13 4.39 -0.23 -0.60 114.58 120.04 2b33 h GLU 56 Ca 0.00 -0.36 -0.02 0.00 0.34 0.00 0.00 59.36 59.32 2b33 h GLU 56 Cb 0.85 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 2b33 h GLU 56 CO 0.06 1.02 0.05 -0.91 -1.16 0.00 0.00 179.01 178.07 2b33 h ASN 57 N 0.79 0.32 -0.42 1.42 2.35 -0.45 -1.45 115.58 118.14 2b33 h ASN 57 Ca 0.11 -0.23 0.04 0.00 -0.55 0.00 0.00 56.30 55.67 2b33 h ASN 57 Cb 0.74 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 2b33 h ASN 57 CO 0.06 0.47 0.18 0.25 -1.65 0.00 0.00 177.43 176.73 2b33 h LEU 58 N 0.16 0.22 -0.65 1.61 5.85 -1.10 -2.34 115.31 119.07 2b33 h LEU 58 Ca 0.07 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2b33 h LEU 58 Cb 0.27 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2b33 h LEU 58 CO 0.00 0.16 0.29 0.50 -0.34 0.00 0.00 178.44 179.05 2b33 h LYS 59 N 0.36 0.94 -0.85 1.25 3.64 -1.03 -2.01 116.57 118.88 2b33 h LYS 59 Ca 0.19 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2b33 h LYS 59 Cb 0.15 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 2b33 h LYS 59 CO -0.17 0.77 0.51 0.00 -2.27 0.00 0.00 179.45 178.29 2b33 h ALA 60 N 1.13 1.08 -0.16 5.00 0.00 -1.05 -1.25 119.26 124.01 2b33 h ALA 60 Ca 0.22 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2b33 h ALA 60 Cb 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2b33 h ALA 60 CO -0.02 0.54 -0.03 0.82 0.00 0.00 0.00 179.25 180.56 2b33 h ILE 61 N 1.17 1.28 0.06 0.00 2.04 -1.22 -0.44 117.51 120.40 2b33 h ILE 61 Ca 0.30 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.22 2b33 h ILE 61 Cb -0.05 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 2b33 h ILE 61 CO -0.06 0.29 -0.30 -0.07 0.00 0.00 0.00 178.15 178.01 2b33 h LEU 62 N 0.01 -0.88 -1.92 1.44 3.38 -1.25 -2.68 115.31 113.41 2b33 h LEU 62 Ca 0.04 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2b33 h LEU 62 Cb 0.45 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2b33 h LEU 62 CO 0.01 -0.38 -0.12 -0.33 0.09 0.00 0.00 178.44 177.72 2b33 h GLU 63 N -0.49 0.00 0.00 1.13 5.08 -0.79 0.78 114.58 120.29 2b33 h GLU 63 Ca 0.05 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2b33 h GLU 63 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2b33 h GLU 63 CO -0.21 0.12 -0.40 0.00 -1.00 0.00 0.00 179.01 177.52 2b33 h ALA 64 N 1.88 0.99 -0.65 3.43 0.00 -0.74 -3.13 119.26 121.03 2b33 h ALA 64 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2b33 h ALA 64 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2b33 h ALA 64 CO 0.02 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.17 2b33 n GLY 65 N 0.24 2.34 1.50 0.00 0.00 -0.92 -4.95 105.19 103.38 2b33 n GLY 65 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2b33 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b33 n GLY 66 N 1.60 0.56 3.79 -0.02 0.00 -1.11 -5.07 105.19 104.94 2b33 n GLY 66 Ca 0.23 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 2b33 n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2b33 s PHE 67 N -2.00 2.71 0.35 1.61 0.40 0.22 -4.98 117.98 116.28 2b33 s PHE 67 Ca 0.00 -0.46 0.06 0.00 -0.60 0.00 0.00 56.93 55.94 2b33 s PHE 67 Cb 0.00 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 2b33 s PHE 67 CO 0.00 0.15 0.23 -1.13 0.70 0.00 0.00 175.22 175.17 2b33 n SER 68 N -1.31 -0.03 0.19 1.36 3.41 -1.26 -2.29 113.62 113.68 2b33 n SER 68 Ca -0.01 -3.12 0.04 0.00 -0.26 0.00 0.00 58.87 55.52 2b33 n SER 68 Cb 0.62 1.41 0.36 0.00 -0.26 0.00 0.00 64.21 66.34 2b33 n SER 68 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2b33 h LEU 69 N 0.00 0.00 -1.83 1.04 3.38 -1.94 -2.84 115.31 113.11 2b33 h LEU 69 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2b33 h LEU 69 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2b33 h LEU 69 CO 0.39 0.39 -0.10 0.07 0.09 0.00 0.00 178.44 179.27 2b33 h LYS 70 N 0.00 0.00 0.00 1.13 2.10 -1.96 -2.53 116.57 115.31 2b33 h LYS 70 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2b33 h LYS 70 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 2b33 h LYS 70 CO 0.05 0.10 0.00 -0.44 -2.00 0.00 0.00 179.45 177.16 2b33 h ASP 71 N 0.00 0.00 -2.81 7.07 3.32 -1.74 -3.46 116.42 118.80 2b33 h ASP 71 Ca -0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2b33 h ASP 71 Cb 0.39 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.97 2b33 h ASP 71 CO 0.01 0.00 0.90 -0.69 -1.72 0.00 0.00 179.24 177.74 2b33 s VAL 72 N -3.16 3.07 -0.09 -1.35 1.01 -0.95 -0.66 120.40 118.27 2b33 s VAL 72 Ca 0.09 0.64 0.10 0.00 0.00 0.00 0.00 61.98 62.81 2b33 s VAL 72 Cb 0.09 -3.41 -0.14 0.00 0.00 0.00 0.00 36.38 32.91 2b33 s VAL 72 CO 0.63 0.02 0.08 1.33 0.00 0.00 0.00 175.10 177.16 2b33 n VAL 73 N 4.39 0.63 -3.75 2.92 0.24 -0.56 -4.53 118.33 117.67 2b33 n VAL 73 Ca 0.14 -0.43 -0.13 0.00 -2.04 0.00 0.00 64.34 61.88 2b33 n VAL 73 Cb 0.41 -0.55 -0.13 0.00 -1.47 0.00 0.00 33.84 32.09 2b33 n VAL 73 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2b33 s LYS 74 N -2.36 0.18 0.07 7.34 2.47 -1.06 -0.97 119.74 125.42 2b33 s LYS 74 Ca -0.05 0.44 0.07 0.00 -1.56 0.00 0.00 55.97 54.86 2b33 s LYS 74 Cb 0.04 -0.09 -0.03 0.00 -1.46 0.00 0.00 37.83 36.29 2b33 s LYS 74 CO 0.46 -0.14 -0.18 0.08 0.16 0.00 0.00 175.35 175.73 2b33 s VAL 75 N 1.02 1.41 -0.09 4.02 1.01 -0.21 -0.69 120.40 126.88 2b33 s VAL 75 Ca -0.08 -1.34 -0.01 0.00 0.00 0.00 0.00 61.98 60.56 2b33 s VAL 75 Cb -0.09 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 35.02 2b33 s VAL 75 CO -0.06 -0.07 -0.04 -0.89 0.00 0.00 0.00 175.10 174.04 2b33 s THR 76 N -1.11 0.68 -0.19 3.92 2.01 -0.94 -2.42 115.64 117.61 2b33 s THR 76 Ca 0.03 -0.09 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 2b33 s THR 76 Cb -0.10 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 2b33 s THR 76 CO 0.03 0.31 0.08 -0.69 -0.69 0.00 0.00 174.62 173.65 2b33 s VAL 77 N 1.72 4.92 -0.07 3.82 1.01 -0.25 -2.02 120.40 129.54 2b33 s VAL 77 Ca 0.03 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.05 2b33 s VAL 77 Cb -0.13 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2b33 s VAL 77 CO -0.06 0.45 -0.13 -0.36 0.00 0.00 0.00 175.10 175.01 2b33 s PHE 78 N 0.39 2.76 0.25 5.22 0.08 0.11 -1.63 117.98 125.16 2b33 s PHE 78 Ca 0.04 -0.19 0.02 0.00 0.12 0.00 0.00 56.93 56.92 2b33 s PHE 78 Cb -0.12 -1.68 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 2b33 s PHE 78 CO -0.00 0.16 0.18 0.95 -0.10 0.00 0.00 175.22 176.41 2b33 s THR 79 N -0.59 0.03 -1.05 0.64 -4.23 -0.54 -1.12 115.64 108.78 2b33 s THR 79 Ca 0.08 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.81 2b33 s THR 79 Cb -0.11 -2.50 -0.21 0.00 1.34 0.00 0.00 72.50 71.02 2b33 s THR 79 CO 0.01 0.00 0.94 0.35 -0.54 0.00 0.00 174.62 175.38 2b33 n THR 80 N -0.41 0.00 -3.66 3.99 -2.24 -1.11 0.16 114.28 111.01 2b33 n THR 80 Ca 0.04 -0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.69 2b33 n THR 80 Cb 0.65 0.97 -0.08 0.00 -2.10 0.00 0.00 70.33 69.77 2b33 n THR 80 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2b33 s SER 81 N -2.97 -0.70 0.36 3.42 0.15 -1.26 -4.77 113.70 107.93 2b33 s SER 81 Ca 0.09 1.26 0.27 0.00 0.70 0.00 0.00 55.95 58.27 2b33 s SER 81 Cb 0.16 1.23 1.08 0.00 -1.71 0.00 0.00 66.02 66.78 2b33 s SER 81 CO 0.85 -0.22 1.81 0.24 1.20 0.00 0.00 173.24 177.12 2b33 h MET 82 N 5.84 0.00 -0.38 5.44 2.86 -1.95 -3.14 114.93 123.60 2b33 h MET 82 Ca -0.30 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.45 2b33 h MET 82 Cb 1.18 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 2b33 h MET 82 CO 0.15 0.00 0.49 -0.44 1.06 0.00 0.00 176.91 178.17 2b33 h ASP 83 N 0.00 0.00 0.14 1.22 3.32 -2.04 0.07 116.42 119.14 2b33 h ASP 83 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2b33 h ASP 83 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2b33 h ASP 83 CO 0.00 0.00 -0.07 -1.22 -1.72 0.00 0.00 179.24 176.23 2b33 n TYR 84 N -3.52 0.00 0.02 4.55 4.01 -1.19 -4.56 117.16 116.47 2b33 n TYR 84 Ca 0.07 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.68 2b33 n TYR 84 Cb 0.65 -0.08 -0.06 0.00 -0.31 0.00 0.00 39.34 39.54 2b33 n TYR 84 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 2b33 h PHE 85 N 1.12 -1.14 -0.03 -0.72 3.57 -1.21 -0.05 116.94 118.48 2b33 h PHE 85 Ca 0.00 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.57 2b33 h PHE 85 Cb 0.35 0.52 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 2b33 h PHE 85 CO 0.00 -0.47 -0.13 1.96 -2.23 0.00 0.00 178.31 177.44 2b33 h GLN 86 N -0.50 -0.19 -0.24 1.11 7.50 -1.82 -0.39 115.11 120.59 2b33 h GLN 86 Ca 0.07 0.01 -0.11 0.00 0.50 0.00 0.00 58.65 59.12 2b33 h GLN 86 Cb 0.62 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.18 2b33 h GLN 86 CO -0.37 -0.13 -0.33 0.00 -1.50 0.00 0.00 178.83 176.51 2b33 h ARG 87 N -0.20 0.49 -0.25 1.46 3.08 -1.84 -1.71 114.38 115.42 2b33 h ARG 87 Ca 0.06 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 2b33 h ARG 87 Cb 0.27 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2b33 h ARG 87 CO -0.15 0.76 -0.01 0.28 -1.07 0.00 0.00 179.97 179.78 2b33 h VAL 88 N 0.42 1.26 -0.65 2.04 2.07 -0.84 -2.90 116.25 117.67 2b33 h VAL 88 Ca 0.05 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.69 2b33 h VAL 88 Cb 0.78 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 2b33 h VAL 88 CO 0.06 0.30 0.43 0.78 0.02 0.00 0.00 177.57 179.16 2b33 h ASN 89 N 0.22 0.58 -0.03 0.57 4.21 -0.88 0.11 115.58 120.36 2b33 h ASN 89 Ca 0.07 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.58 2b33 h ASN 89 Cb 0.44 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.51 2b33 h ASN 89 CO 0.02 0.38 0.02 -0.08 -1.29 0.00 0.00 177.43 176.47 2b33 h GLU 90 N 0.66 0.04 -0.38 0.81 4.57 -1.13 -0.12 114.58 119.04 2b33 h GLU 90 Ca 0.28 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.31 2b33 h GLU 90 Cb 0.25 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2b33 h GLU 90 CO -0.08 0.11 -0.30 0.28 -1.18 0.00 0.00 179.01 177.83 2b33 h VAL 91 N -0.04 1.28 -0.70 0.32 2.07 -1.27 -3.19 116.25 114.72 2b33 h VAL 91 Ca 0.01 -1.47 0.04 0.00 0.82 0.00 0.00 66.70 66.11 2b33 h VAL 91 Cb 0.08 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 2b33 h VAL 91 CO -0.00 0.49 0.42 0.22 0.02 0.00 0.00 177.57 178.71 2b33 h TYR 92 N 0.68 0.77 0.00 1.57 5.03 -0.66 -2.39 116.97 121.96 2b33 h TYR 92 Ca 0.07 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 2b33 h TYR 92 Cb 0.88 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.92 2b33 h TYR 92 CO 0.06 0.41 -0.03 0.66 -1.32 0.00 0.00 178.16 177.94 2b33 h SER 93 N 0.79 0.00 1.13 -2.11 4.64 -1.00 -0.51 113.55 116.49 2b33 h SER 93 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2b33 h SER 93 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2b33 h SER 93 CO -0.14 0.03 0.00 0.03 -0.87 0.00 0.00 176.83 175.88 2b33 h ARG 94 N 0.00 0.00 0.00 4.77 3.08 -1.48 0.92 114.38 121.68 2b33 h ARG 94 Ca -0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.65 2b33 h ARG 94 Cb 0.09 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.07 2b33 h ARG 94 CO 0.00 0.00 -2.42 0.66 -1.07 0.00 0.00 179.97 177.14 2b33 n TYR 95 N -2.68 0.00 -1.30 3.04 4.02 -0.62 -4.77 117.16 114.85 2b33 n TYR 95 Ca 0.02 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.99 2b33 n TYR 95 Cb 0.33 -0.94 0.17 0.00 -0.02 0.00 0.00 39.34 38.88 2b33 n TYR 95 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2b33 n PHE 96 N -3.57 0.04 -0.12 -0.72 3.72 -0.30 -4.80 117.46 111.71 2b33 n PHE 96 Ca -0.46 -1.22 -0.10 0.00 -0.05 0.00 0.00 57.45 55.62 2b33 n PHE 96 Cb 0.93 -0.20 0.04 0.00 -0.94 0.00 0.00 39.48 39.31 2b33 n PHE 96 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2b33 h GLY 97 N 0.48 0.96 0.51 1.37 0.00 -1.00 -1.54 103.07 103.86 2b33 h GLY 97 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 47.33 46.33 2b33 h GLY 97 CO 0.01 0.77 -0.69 1.29 0.00 0.00 0.00 176.54 177.93 2b33 h ASP 98 N 0.76 0.35 -0.11 0.19 2.03 -1.87 -3.39 116.42 114.38 2b33 h ASP 98 Ca 0.10 -0.95 -0.07 0.00 -0.73 0.00 0.00 57.03 55.38 2b33 h ASP 98 Cb 0.79 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.17 2b33 h ASP 98 CO 0.07 1.33 -0.21 0.45 -1.03 0.00 0.00 179.24 179.84 2b33 h HIS 99 N -0.52 0.42 -5.62 4.15 3.86 -1.88 -3.49 115.15 112.08 2b33 h HIS 99 Ca -0.13 -0.15 -0.09 0.00 -1.16 0.00 0.00 60.37 58.84 2b33 h HIS 99 Cb 1.50 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.90 2b33 h HIS 99 CO 0.21 0.82 -0.21 0.54 0.86 0.00 0.00 177.93 180.15 2b33 n ARG 100 N -4.51 -1.37 -1.59 2.45 1.74 -0.58 -5.02 116.66 107.78 2b33 n ARG 100 Ca -0.07 1.36 -0.29 0.00 -0.77 0.00 0.00 57.85 58.07 2b33 n ARG 100 Cb 0.42 -5.15 0.11 0.00 -1.02 0.00 0.00 32.46 26.81 2b33 n ARG 100 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2b33 s PRO 101 N -3.37 1.71 0.60 5.56 0.04 -1.26 -5.03 135.00 133.25 2b33 s PRO 101 Ca 0.01 0.44 -0.18 0.00 0.04 0.00 0.00 61.00 61.31 2b33 s PRO 101 Cb -0.00 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2b33 s PRO 101 CO 0.78 -1.83 1.18 0.00 0.04 0.00 0.00 177.00 177.16 2b33 s ALA 102 N -3.25 2.53 0.03 8.56 0.00 -0.14 -4.88 121.76 124.61 2b33 s ALA 102 Ca 0.62 0.89 -0.18 0.00 0.00 0.00 0.00 51.96 53.29 2b33 s ALA 102 Cb -0.14 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.60 2b33 s ALA 102 CO 0.53 -1.14 0.41 0.50 0.00 0.00 0.00 175.76 176.06 2b33 s ARG 103 N -3.47 0.89 -0.01 0.00 3.52 -1.26 -1.04 118.95 117.58 2b33 s ARG 103 Ca 0.75 -0.31 0.03 0.00 -0.13 0.00 0.00 55.73 56.07 2b33 s ARG 103 Cb -0.27 0.40 -0.00 0.00 -1.56 0.00 0.00 34.95 33.51 2b33 s ARG 103 CO 0.34 -0.29 -0.10 -1.12 -0.81 0.00 0.00 175.30 173.31 2b33 s SER 104 N -1.86 1.19 -0.18 -2.12 0.01 -1.01 -4.98 113.70 104.74 2b33 s SER 104 Ca -0.07 -0.18 -0.01 0.00 1.31 0.00 0.00 55.95 57.00 2b33 s SER 104 Cb -0.01 -0.20 0.05 0.00 0.21 0.00 0.00 66.02 66.07 2b33 s SER 104 CO -0.01 0.10 -0.02 0.12 0.41 0.00 0.00 173.24 173.85 2b33 s PHE 105 N -0.09 1.57 0.13 2.43 2.19 -1.26 -1.09 117.98 121.87 2b33 s PHE 105 Ca 0.01 -1.11 0.06 0.00 0.33 0.00 0.00 56.93 56.23 2b33 s PHE 105 Cb -0.05 -1.25 -0.04 0.00 -1.31 0.00 0.00 43.02 40.37 2b33 s PHE 105 CO -0.00 -0.63 -0.14 0.14 1.83 0.00 0.00 175.22 176.42 2b33 s VAL 106 N 1.67 1.36 -0.29 3.12 -7.23 -0.65 -5.00 120.40 113.40 2b33 s VAL 106 Ca -0.01 -1.81 -0.05 0.00 -1.81 0.00 0.00 61.98 58.30 2b33 s VAL 106 Cb -0.16 -1.63 0.02 0.00 0.56 0.00 0.00 36.38 35.17 2b33 s VAL 106 CO -0.07 -0.47 0.03 0.00 -0.31 0.00 0.00 175.10 174.28 2b33 s ALA 107 N -2.36 2.93 0.63 1.32 0.00 -1.26 -1.47 121.76 121.55 2b33 s ALA 107 Ca 0.11 -1.52 0.03 0.00 0.00 0.00 0.00 51.96 50.58 2b33 s ALA 107 Cb -0.04 -2.01 0.09 0.00 0.00 0.00 0.00 23.12 21.17 2b33 s ALA 107 CO 0.03 -0.98 0.87 0.14 0.00 0.00 0.00 175.76 175.82 2b33 s VAL 108 N 1.41 2.27 0.10 0.00 -7.23 0.12 -4.92 120.40 112.15 2b33 s VAL 108 Ca 0.00 -0.76 -0.08 0.00 -1.81 0.00 0.00 61.98 59.33 2b33 s VAL 108 Cb -0.18 -2.50 -0.23 0.00 0.56 0.00 0.00 36.38 34.03 2b33 s VAL 108 CO 0.00 0.00 1.22 0.00 -0.31 0.00 0.00 175.10 176.01 2b33 h ALA 109 N -0.14 0.20 -1.91 1.32 0.00 -1.91 -3.39 119.26 113.43 2b33 h ALA 109 Ca -0.35 -0.75 -0.03 0.00 0.00 0.00 0.00 54.91 53.78 2b33 h ALA 109 Cb 1.28 0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.90 2b33 h ALA 109 CO 0.42 0.79 0.26 -1.14 0.00 0.00 0.00 179.25 179.58 2b33 s GLN 110 N -3.12 0.96 0.33 0.00 0.74 -1.26 -4.98 119.66 112.33 2b33 s GLN 110 Ca -0.07 0.26 0.08 0.00 0.05 0.00 0.00 55.36 55.68 2b33 s GLN 110 Cb 0.07 0.45 -0.06 0.00 1.10 0.00 0.00 33.01 34.57 2b33 s GLN 110 CO 0.89 -0.29 -0.06 -0.51 -0.55 0.00 0.00 175.29 174.77 2b33 s LEU 111 N -1.12 2.64 0.41 3.68 1.43 -1.26 -5.07 118.68 119.39 2b33 s LEU 111 Ca -0.09 -1.23 -0.26 0.00 -1.03 0.00 0.00 54.13 51.52 2b33 s LEU 111 Cb -0.00 -0.83 -0.10 0.00 0.03 0.00 0.00 46.19 45.29 2b33 s LEU 111 CO 0.08 -0.31 1.33 -2.65 0.23 0.00 0.00 176.35 175.03 2b33 n PRO 112 N -0.74 2.09 -1.43 1.29 -0.02 -1.26 -1.96 135.00 132.97 2b33 n PRO 112 Ca -0.05 0.74 -0.15 0.00 -2.02 0.00 0.00 63.50 62.02 2b33 n PRO 112 Cb 0.64 -2.45 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 2b33 n PRO 112 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2b33 n ARG 113 N 0.10 -1.42 -2.51 -0.52 5.12 -1.26 -2.38 116.66 113.79 2b33 n ARG 113 Ca 0.06 1.01 -0.21 0.00 -1.93 0.00 0.00 57.85 56.78 2b33 n ARG 113 Cb 0.39 -5.32 -0.00 0.00 -1.16 0.00 0.00 32.46 26.37 2b33 n ARG 113 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2b33 n ASN 114 N -1.02 -5.87 -4.78 0.55 4.05 -0.83 -5.00 115.26 102.36 2b33 n ASN 114 Ca -0.15 -0.06 -0.29 0.00 0.45 0.00 0.00 54.58 54.54 2b33 n ASN 114 Cb 0.58 -4.87 0.13 0.00 1.23 0.00 0.00 39.78 36.86 2b33 n ASN 114 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 2b33 s VAL 115 N -3.05 2.23 -1.17 3.44 -7.23 -1.00 -4.89 120.40 108.72 2b33 s VAL 115 Ca 0.05 0.07 0.11 0.00 -1.81 0.00 0.00 61.98 60.41 2b33 s VAL 115 Cb -0.02 -2.79 0.03 0.00 0.56 0.00 0.00 36.38 34.16 2b33 s VAL 115 CO 0.07 -0.10 0.74 -0.62 -0.31 0.00 0.00 175.10 174.88 2b33 n GLU 116 N -3.75 1.50 -3.74 4.82 1.02 -1.26 -4.17 120.64 115.07 2b33 n GLU 116 Ca 0.06 -0.84 -0.12 0.00 -0.02 0.00 0.00 57.16 56.24 2b33 n GLU 116 Cb 0.58 -1.15 -0.11 0.00 -0.02 0.00 0.00 31.44 30.74 2b33 n GLU 116 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 2b33 s ILE 117 N -1.27 -0.01 -0.13 -3.67 1.10 -1.26 -2.73 121.20 113.22 2b33 s ILE 117 Ca 0.11 0.05 -0.08 0.00 -0.51 0.00 0.00 60.65 60.22 2b33 s ILE 117 Cb 0.09 -0.47 0.05 0.00 0.15 0.00 0.00 42.46 42.28 2b33 s ILE 117 CO 0.23 0.02 0.32 -0.70 -2.11 0.00 0.00 174.94 172.70 2b33 s GLU 118 N 0.68 0.32 -0.06 3.50 2.12 -0.27 -4.27 118.70 120.72 2b33 s GLU 118 Ca -0.04 0.59 0.01 0.00 0.36 0.00 0.00 54.97 55.88 2b33 s GLU 118 Cb -0.05 0.01 0.02 0.00 0.26 0.00 0.00 34.13 34.37 2b33 s GLU 118 CO -0.04 -0.12 -0.05 0.42 -0.54 0.00 0.00 175.26 174.93 2b33 s ILE 119 N 0.95 0.61 0.41 -3.70 1.01 -0.78 0.07 121.20 119.77 2b33 s ILE 119 Ca -0.06 -0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.53 2b33 s ILE 119 Cb -0.07 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.69 2b33 s ILE 119 CO -0.07 0.26 0.17 -1.83 0.00 0.00 0.00 174.94 173.47 2b33 s GLU 120 N 1.17 2.20 0.11 2.79 -1.05 -0.85 -0.36 118.70 122.71 2b33 s GLU 120 Ca -0.07 -1.87 -0.25 0.00 -0.15 0.00 0.00 54.97 52.63 2b33 s GLU 120 Cb -0.14 -1.95 0.08 0.00 -0.44 0.00 0.00 34.13 31.68 2b33 s GLU 120 CO -0.01 -0.11 0.72 0.00 0.95 0.00 0.00 175.26 176.80 2b33 s ALA 121 N -2.61 -1.65 -0.03 -0.84 0.00 -1.22 -2.20 121.76 113.20 2b33 s ALA 121 Ca 0.40 0.60 0.06 0.00 0.00 0.00 0.00 51.96 53.02 2b33 s ALA 121 Cb 0.04 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 2b33 s ALA 121 CO 0.22 -0.77 -0.20 0.42 0.00 0.00 0.00 175.76 175.42 2b33 s ILE 122 N -3.53 1.65 0.06 0.00 1.01 0.14 -1.02 121.20 119.50 2b33 s ILE 122 Ca 0.04 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.87 2b33 s ILE 122 Cb -0.01 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 2b33 s ILE 122 CO -0.10 0.47 -0.14 0.00 0.00 0.00 0.00 174.94 175.17 2b33 s ALA 123 N -0.25 1.17 -0.02 9.38 0.00 0.07 -1.50 121.76 130.61 2b33 s ALA 123 Ca 0.02 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 2b33 s ALA 123 Cb -0.10 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.90 2b33 s ALA 123 CO 0.01 0.18 0.06 0.08 0.00 0.00 0.00 175.76 176.10 2b33 s VAL 124 N -1.14 -0.01 0.33 0.00 1.01 0.17 -0.50 120.40 120.26 2b33 s VAL 124 Ca -0.01 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2b33 s VAL 124 Cb -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 2b33 s VAL 124 CO 0.02 0.01 0.11 2.29 0.00 0.00 0.00 175.10 177.54 2b33 n LYS 125 N 3.23 0.66 -0.45 2.72 2.85 -0.81 -4.57 118.16 121.79 2b33 n LYS 125 Ca -0.15 -2.78 0.06 0.00 -1.05 0.00 0.00 58.31 54.40 2b33 n LYS 125 Cb 0.58 1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 36.44 2b33 n LYS 125 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2b33 n GLU 126 N -0.75 -0.90 0.00 -1.58 -0.58 -1.26 -4.90 120.64 110.68 2b33 n GLU 126 Ca -0.05 0.59 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 2b33 n GLU 126 Cb 0.49 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 2b33 n GLU 126 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06