#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b63 n ASN 2 N 0.00 2.78 -4.70 6.12 3.02 -1.26 -5.02 115.26 116.21 2b63 n ASN 2 Ca 0.00 -2.64 -0.41 0.00 -0.03 0.00 0.00 54.58 51.51 2b63 n ASN 2 Cb 0.00 -0.33 -0.04 0.00 -0.61 0.00 0.00 39.78 38.80 2b63 n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2b63 s ALA 3 N -2.12 3.39 0.88 5.41 0.00 -1.26 -5.05 121.76 123.01 2b63 s ALA 3 Ca 0.26 0.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.23 2b63 s ALA 3 Cb 0.21 -3.09 0.12 0.00 0.00 0.00 0.00 23.12 20.36 2b63 s ALA 3 CO 0.06 -0.33 1.11 -1.25 0.00 0.00 0.00 175.76 175.35 2b63 s PRO 4 N 1.36 1.34 -0.04 0.00 0.04 -1.26 -4.92 135.00 131.52 2b63 s PRO 4 Ca 0.39 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 2b63 s PRO 4 Cb -0.18 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2b63 s PRO 4 CO 0.17 -2.32 1.28 -0.51 0.04 0.00 0.00 177.00 175.66 2b63 s ASP 5 N -3.00 6.96 0.26 6.66 1.01 -1.26 -4.89 116.67 122.41 2b63 s ASP 5 Ca 0.65 1.93 -0.06 0.00 0.71 0.00 0.00 52.55 55.77 2b63 s ASP 5 Cb -0.20 -2.56 0.46 0.00 1.01 0.00 0.00 42.92 41.63 2b63 s ASP 5 CO 0.58 -0.65 1.40 0.54 0.21 0.00 0.00 175.17 177.24 2b63 n ARG 6 N 5.36 -0.08 0.00 8.23 5.12 -1.26 -0.96 116.66 133.07 2b63 n ARG 6 Ca 0.12 1.38 0.00 0.00 -1.93 0.00 0.00 57.85 57.42 2b63 n ARG 6 Cb 0.45 -2.09 0.00 0.00 -1.16 0.00 0.00 32.46 29.66 2b63 n ARG 6 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 2b63 n PHE 7 N -5.43 0.00 1.26 -1.55 1.16 -1.26 -1.87 117.46 109.77 2b63 n PHE 7 Ca 0.15 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.86 2b63 n PHE 7 Cb 0.49 0.00 0.34 0.00 -1.61 0.00 0.00 39.48 38.70 2b63 n PHE 7 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 2b63 n GLU 8 N -0.38 1.31 0.04 3.97 1.02 -0.14 -2.91 120.64 123.55 2b63 n GLU 8 Ca 0.00 -0.87 0.11 0.00 -0.02 0.00 0.00 57.16 56.39 2b63 n GLU 8 Cb 0.00 -1.48 0.46 0.00 -0.02 0.00 0.00 31.44 30.40 2b63 n GLU 8 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2b63 n LEU 9 N -0.09 0.28 0.00 -4.62 4.77 -0.78 -4.33 117.00 112.23 2b63 n LEU 9 Ca 0.14 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 2b63 n LEU 9 Cb 0.40 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2b63 n LEU 9 CO 0.22 -0.21 0.00 2.22 -1.33 0.00 0.00 177.39 178.29 2b63 n PHE 10 N -1.78 0.00 -2.59 -1.77 -0.00 -1.25 -4.50 117.46 105.57 2b63 n PHE 10 Ca 0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.08 2b63 n PHE 10 Cb 0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.74 2b63 n PHE 10 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2b63 s LEU 11 N -0.93 4.29 -0.08 5.98 2.01 -1.15 -4.92 118.68 123.89 2b63 s LEU 11 Ca 0.00 1.70 -0.25 0.00 0.01 0.00 0.00 54.13 55.59 2b63 s LEU 11 Cb 0.00 -3.56 -0.03 0.00 0.01 0.00 0.00 46.19 42.61 2b63 s LEU 11 CO 0.00 -0.45 0.77 -0.76 1.01 0.00 0.00 176.35 176.92 2b63 s LEU 12 N 1.77 4.29 0.57 1.79 1.02 -1.26 -4.79 118.68 122.07 2b63 s LEU 12 Ca 0.52 1.26 -0.14 0.00 0.02 0.00 0.00 54.13 55.79 2b63 s LEU 12 Cb -0.22 -3.19 -0.06 0.00 0.02 0.00 0.00 46.19 42.74 2b63 s LEU 12 CO 0.22 -0.20 1.01 -0.83 0.02 0.00 0.00 176.35 176.58 2b63 s GLY 13 N 0.91 1.89 0.01 -3.19 0.00 -1.26 -4.95 107.32 100.73 2b63 s GLY 13 Ca 0.40 0.08 -0.22 0.00 0.00 0.00 0.00 44.72 44.98 2b63 s GLY 13 CO 0.19 0.36 0.57 1.18 0.00 0.00 0.00 173.10 175.39 2b63 n GLU 14 N -2.15 0.00 -3.59 2.90 1.02 -1.26 -2.96 120.64 114.60 2b63 n GLU 14 Ca 0.06 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.94 2b63 n GLU 14 Cb 0.54 -0.82 0.05 0.00 -0.02 0.00 0.00 31.44 31.19 2b63 n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2b63 n GLY 15 N 0.88 -0.93 3.26 0.62 0.00 -1.26 -5.03 105.19 102.73 2b63 n GLY 15 Ca 0.11 0.44 -0.16 0.00 0.00 0.00 0.00 46.02 46.41 2b63 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b63 s GLU 16 N -5.61 1.50 -0.13 1.61 2.02 -1.16 -5.18 118.70 111.75 2b63 s GLU 16 Ca 0.40 -1.84 -0.15 0.00 0.02 0.00 0.00 54.97 53.40 2b63 s GLU 16 Cb -0.12 0.24 0.04 0.00 0.10 0.00 0.00 34.13 34.39 2b63 s GLU 16 CO 0.83 -0.51 0.41 -1.12 0.02 0.00 0.00 175.26 174.89 2b63 s SER 17 N -3.28 -0.41 0.49 -0.19 0.01 -1.26 -5.00 113.70 104.06 2b63 s SER 17 Ca 0.39 0.72 0.28 0.00 1.31 0.00 0.00 55.95 58.65 2b63 s SER 17 Cb 0.05 0.76 1.35 0.00 0.21 0.00 0.00 66.02 68.38 2b63 s SER 17 CO 0.20 -0.22 1.83 0.11 0.41 0.00 0.00 173.24 175.57 2b63 h LYS 18 N 5.10 0.16 -6.16 12.44 1.79 -1.92 -3.38 116.57 124.60 2b63 h LYS 18 Ca -0.27 -0.01 -0.56 0.00 -2.18 0.00 0.00 60.65 57.63 2b63 h LYS 18 Cb 1.18 -0.04 -0.19 0.00 -1.58 0.00 0.00 32.23 31.60 2b63 h LYS 18 CO 0.27 0.10 -0.81 -0.51 -1.08 0.00 0.00 179.45 177.43 2b63 s LEU 19 N -8.90 2.39 -0.16 2.94 1.43 -1.26 -0.72 118.68 114.39 2b63 s LEU 19 Ca -0.06 -0.80 -0.06 0.00 -1.03 0.00 0.00 54.13 52.17 2b63 s LEU 19 Cb 0.23 -0.92 0.07 0.00 0.03 0.00 0.00 46.19 45.61 2b63 s LEU 19 CO 0.79 0.03 0.34 -0.75 0.23 0.00 0.00 176.35 176.99 2b63 s LYS 20 N -2.46 0.25 -0.17 1.70 2.20 -1.03 -4.97 119.74 115.26 2b63 s LYS 20 Ca 0.13 0.85 -0.01 0.00 -0.36 0.00 0.00 55.97 56.59 2b63 s LYS 20 Cb -0.08 0.11 -0.00 0.00 -1.51 0.00 0.00 37.83 36.35 2b63 s LYS 20 CO 0.06 -0.25 -0.13 0.42 -0.36 0.00 0.00 175.35 175.10 2b63 s ILE 21 N 2.28 2.78 -0.02 5.43 1.01 -1.26 0.45 121.20 131.87 2b63 s ILE 21 Ca -0.02 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 59.96 2b63 s ILE 21 Cb -0.11 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 2b63 s ILE 21 CO -0.11 0.50 -0.16 -1.81 0.00 0.00 0.00 174.94 173.36 2b63 s ASP 22 N 0.99 1.92 0.06 3.58 1.01 -0.84 -5.02 116.67 118.37 2b63 s ASP 22 Ca -0.02 -0.30 -0.30 0.00 0.71 0.00 0.00 52.55 52.64 2b63 s ASP 22 Cb -0.15 -0.31 -0.05 0.00 1.01 0.00 0.00 42.92 43.42 2b63 s ASP 22 CO -0.02 0.18 1.08 -2.16 0.21 0.00 0.00 175.17 174.46 2b63 s PRO 23 N -0.24 4.53 -0.05 8.23 0.04 -1.26 -1.34 135.00 144.90 2b63 s PRO 23 Ca 0.03 1.60 -0.19 0.00 0.04 0.00 0.00 61.00 62.48 2b63 s PRO 23 Cb -0.08 -3.38 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 2b63 s PRO 23 CO 0.00 -0.09 0.54 0.34 0.04 0.00 0.00 177.00 177.83 2b63 s ASP 24 N 0.76 6.85 0.01 6.66 -1.08 -1.14 -4.90 116.67 123.83 2b63 s ASP 24 Ca 0.54 1.01 0.19 0.00 -0.52 0.00 0.00 52.55 53.76 2b63 s ASP 24 Cb -0.26 -2.33 -0.18 0.00 -1.46 0.00 0.00 42.92 38.69 2b63 s ASP 24 CO 0.30 0.07 0.64 0.35 0.52 0.00 0.00 175.17 177.05 2b63 n THR 25 N 3.08 0.89 -0.35 1.71 -2.24 -1.26 -4.42 114.28 111.69 2b63 n THR 25 Ca -0.07 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 2b63 n THR 25 Cb 0.51 -0.48 0.06 0.00 -2.10 0.00 0.00 70.33 68.33 2b63 n THR 25 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2b63 h LYS 26 N 0.00 -0.02 0.00 -0.78 1.79 -2.00 -3.42 116.57 112.14 2b63 h LYS 26 Ca -0.18 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.75 2b63 h LYS 26 Cb 1.50 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 32.07 2b63 h LYS 26 CO 0.03 -0.01 -0.35 0.00 -1.08 0.00 0.00 179.45 178.03 2b63 n ALA 27 N -3.46 0.48 -2.68 3.86 0.00 -1.26 -5.13 120.51 112.31 2b63 n ALA 27 Ca 0.11 -1.93 -0.37 0.00 0.00 0.00 0.00 53.44 51.25 2b63 n ALA 27 Cb 0.42 0.97 -0.06 0.00 0.00 0.00 0.00 19.45 20.78 2b63 n ALA 27 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2b63 s PRO 28 N -3.67 4.07 -0.24 0.00 0.04 -1.26 -4.71 135.00 129.21 2b63 s PRO 28 Ca 0.08 0.19 -0.05 0.00 0.04 0.00 0.00 61.00 61.26 2b63 s PRO 28 Cb -0.01 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.20 2b63 s PRO 28 CO 0.05 0.43 0.13 -1.71 0.04 0.00 0.00 177.00 175.94 2b63 n ASN 29 N 2.89 -7.39 -3.52 6.66 2.85 -1.26 -4.92 115.26 110.57 2b63 n ASN 29 Ca -0.13 0.88 -0.09 0.00 -0.11 0.00 0.00 54.58 55.14 2b63 n ASN 29 Cb 0.52 -3.93 -0.02 0.00 1.24 0.00 0.00 39.78 37.59 2b63 n ASN 29 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2b63 s ALA 30 N -1.56 -1.76 0.04 5.20 0.00 -1.26 -4.06 121.76 118.36 2b63 s ALA 30 Ca 0.06 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 2b63 s ALA 30 Cb -0.01 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.64 2b63 s ALA 30 CO 0.56 -0.74 0.23 0.08 0.00 0.00 0.00 175.76 175.89 2b63 s VAL 31 N -3.25 0.10 -0.28 0.00 1.01 0.11 -2.87 120.40 115.21 2b63 s VAL 31 Ca 0.05 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2b63 s VAL 31 Cb -0.01 -0.94 0.08 0.00 0.00 0.00 0.00 36.38 35.51 2b63 s VAL 31 CO -0.08 -0.46 -0.02 -0.69 0.00 0.00 0.00 175.10 173.85 2b63 s VAL 32 N -2.63 1.92 -0.22 2.92 1.01 -0.45 0.50 120.40 123.46 2b63 s VAL 32 Ca -0.05 -1.74 -0.13 0.00 0.00 0.00 0.00 61.98 60.06 2b63 s VAL 32 Cb -0.01 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 2b63 s VAL 32 CO -0.04 -0.30 0.26 -0.63 0.00 0.00 0.00 175.10 174.39 2b63 s ILE 33 N 1.16 5.29 -0.47 2.22 1.09 0.61 -1.98 121.20 129.13 2b63 s ILE 33 Ca 0.00 0.42 -0.17 0.00 -1.10 0.00 0.00 60.65 59.80 2b63 s ILE 33 Cb -0.19 -3.60 0.05 0.00 -1.06 0.00 0.00 42.46 37.66 2b63 s ILE 33 CO -0.08 0.32 0.46 -0.89 -0.10 0.00 0.00 174.94 174.64 2b63 s THR 34 N 1.07 5.11 0.09 2.92 2.01 0.17 -0.57 115.64 126.44 2b63 s THR 34 Ca 0.13 -0.72 -0.28 0.00 0.31 0.00 0.00 61.69 61.13 2b63 s THR 34 Cb -0.14 -4.14 -0.06 0.00 0.01 0.00 0.00 72.50 68.18 2b63 s THR 34 CO 0.05 -0.59 0.88 -0.36 -0.69 0.00 0.00 174.62 173.92 2b63 s PHE 35 N 2.02 3.79 0.02 4.92 0.40 0.10 -2.48 117.98 126.75 2b63 s PHE 35 Ca 0.09 1.67 0.01 0.00 -0.60 0.00 0.00 56.93 58.09 2b63 s PHE 35 Cb -0.21 -2.95 -0.04 0.00 0.51 0.00 0.00 43.02 40.33 2b63 s PHE 35 CO 0.10 0.25 0.08 -1.21 0.70 0.00 0.00 175.22 175.13 2b63 s GLU 36 N -0.07 3.02 -1.35 0.44 0.41 0.10 -2.04 118.70 119.21 2b63 s GLU 36 Ca 0.43 -0.54 -0.10 0.00 -0.41 0.00 0.00 54.97 54.35 2b63 s GLU 36 Cb -0.22 -2.82 0.01 0.00 -1.78 0.00 0.00 34.13 29.31 2b63 s GLU 36 CO 0.27 0.63 0.45 1.63 -0.49 0.00 0.00 175.26 177.74 2b63 n LYS 37 N 1.00 -1.81 -1.88 1.61 4.76 -0.95 -4.77 118.16 116.12 2b63 n LYS 37 Ca -0.12 0.28 -0.00 0.00 -2.87 0.00 0.00 58.31 55.60 2b63 n LYS 37 Cb 0.52 -3.87 -0.00 0.00 -1.84 0.00 0.00 35.03 29.84 2b63 n LYS 37 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2b63 n GLU 38 N -4.52 0.01 -0.81 1.97 -0.58 -1.22 -4.67 120.64 110.82 2b63 n GLU 38 Ca -0.24 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.42 2b63 n GLU 38 Cb 0.65 0.07 0.00 0.00 -0.57 0.00 0.00 31.44 31.59 2b63 n GLU 38 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2b63 n ASP 39 N -2.61 0.00 -0.33 1.62 5.75 -1.26 -2.69 116.55 117.04 2b63 n ASP 39 Ca 0.00 -0.59 -0.11 0.00 -0.01 0.00 0.00 54.79 54.08 2b63 n ASP 39 Cb 0.02 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.02 2b63 n ASP 39 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 2b63 h HIS 40 N 0.59 -1.77 -0.28 2.11 3.86 -1.96 -0.79 115.15 116.92 2b63 h HIS 40 Ca 0.00 0.11 0.07 0.00 -1.16 0.00 0.00 60.37 59.39 2b63 h HIS 40 Cb 0.00 0.88 -0.05 0.00 1.06 0.00 0.00 27.41 29.30 2b63 h HIS 40 CO 0.00 -0.41 -0.03 2.41 0.86 0.00 0.00 177.93 180.76 2b63 n THR 41 N -5.31 -0.12 -0.05 2.45 -1.04 -1.26 0.88 114.28 109.83 2b63 n THR 41 Ca 0.01 0.63 -0.00 0.00 -2.04 0.00 0.00 64.05 62.65 2b63 n THR 41 Cb 0.30 -0.90 -0.13 0.00 -1.82 0.00 0.00 70.33 67.77 2b63 n THR 41 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2b63 n LEU 42 N -4.31 0.00 0.01 -4.42 0.00 -0.95 -4.38 117.00 102.95 2b63 n LEU 42 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.06 2b63 n LEU 42 Cb 0.18 0.21 -0.00 0.00 0.00 0.00 0.00 43.42 43.81 2b63 n LEU 42 CO -0.03 0.21 0.39 1.23 0.00 0.00 0.00 177.39 179.20 2b63 h GLY 43 N 3.17 -0.04 -0.98 -3.96 0.00 0.20 -1.72 103.07 99.74 2b63 h GLY 43 Ca -0.23 0.01 0.31 0.00 0.00 0.00 0.00 47.33 47.42 2b63 h GLY 43 CO 0.01 -0.01 0.17 -2.01 0.00 0.00 0.00 176.54 174.70 2b63 n ASN 44 N -2.12 0.02 0.32 0.19 5.15 0.33 -1.62 115.26 117.53 2b63 n ASN 44 Ca -0.00 1.65 -0.13 0.00 -0.60 0.00 0.00 54.58 55.50 2b63 n ASN 44 Cb 0.01 -0.66 -0.06 0.00 -0.53 0.00 0.00 39.78 38.54 2b63 n ASN 44 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2b63 h LEU 45 N 0.00 -0.70 -1.57 1.20 5.85 -1.73 -2.24 115.31 116.13 2b63 h LEU 45 Ca 0.67 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.58 2b63 h LEU 45 Cb 1.52 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.70 2b63 h LEU 45 CO -0.87 -0.46 0.74 0.40 -0.34 0.00 0.00 178.44 177.91 2b63 h ILE 46 N -0.90 0.19 0.33 4.05 1.08 -0.34 -0.90 117.51 121.02 2b63 h ILE 46 Ca -0.08 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.37 2b63 h ILE 46 Cb 0.63 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.77 2b63 h ILE 46 CO 0.14 0.00 -0.16 -0.09 -0.69 0.00 0.00 178.15 177.35 2b63 h ARG 47 N 0.00 -0.42 -0.04 2.37 1.12 -0.97 -2.86 114.38 113.58 2b63 h ARG 47 Ca 0.28 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.19 2b63 h ARG 47 Cb 1.77 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 31.82 2b63 h ARG 47 CO -0.00 -0.25 -0.06 0.00 -3.11 0.00 0.00 179.97 176.55 2b63 h ALA 48 N -1.06 -0.36 -0.97 2.80 0.00 -0.58 -0.42 119.26 118.67 2b63 h ALA 48 Ca -0.04 -0.00 0.31 0.00 0.00 0.00 0.00 54.91 55.18 2b63 h ALA 48 Cb 0.36 0.73 -0.16 0.00 0.00 0.00 0.00 17.79 18.73 2b63 h ALA 48 CO 0.07 -0.39 0.42 0.93 0.00 0.00 0.00 179.25 180.28 2b63 h GLU 49 N -0.04 0.19 0.00 0.00 4.39 -1.68 2.45 114.58 119.88 2b63 h GLU 49 Ca 0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2b63 h GLU 49 Cb 0.06 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2b63 h GLU 49 CO -0.06 0.12 0.00 -0.11 -1.16 0.00 0.00 179.01 177.81 2b63 n LEU 50 N -5.19 0.00 -0.06 1.33 0.00 -0.21 -1.59 117.00 111.29 2b63 n LEU 50 Ca 0.29 0.00 0.05 0.00 0.00 0.00 0.00 56.01 56.35 2b63 n LEU 50 Cb 0.95 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 44.32 2b63 n LEU 50 CO 0.05 0.00 0.03 -0.11 0.00 0.00 0.00 177.39 177.36 2b63 n LEU 51 N -0.82 0.64 -0.08 -1.96 7.94 0.82 -4.39 117.00 119.15 2b63 n LEU 51 Ca 0.06 -0.56 0.12 0.00 -1.11 0.00 0.00 56.01 54.52 2b63 n LEU 51 Cb 0.03 0.00 0.28 0.00 0.53 0.00 0.00 43.42 44.25 2b63 n LEU 51 CO 0.05 0.15 0.50 0.59 -1.11 0.00 0.00 177.39 177.56 2b63 n ASN 52 N -1.00 0.69 -4.67 1.96 3.02 -0.62 -4.75 115.26 109.89 2b63 n ASN 52 Ca 0.02 -0.48 -0.42 0.00 -0.03 0.00 0.00 54.58 53.68 2b63 n ASN 52 Cb 0.17 0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 39.55 2b63 n ASN 52 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2b63 s ASP 53 N -2.84 7.04 0.05 6.41 -1.08 -1.25 -4.89 116.67 120.11 2b63 s ASP 53 Ca 0.15 1.29 0.25 0.00 -0.52 0.00 0.00 52.55 53.72 2b63 s ASP 53 Cb 0.18 -2.50 1.01 0.00 -1.46 0.00 0.00 42.92 40.15 2b63 s ASP 53 CO 0.65 -0.50 1.78 0.54 0.52 0.00 0.00 175.17 178.16 2b63 n ARG 54 N 5.61 0.06 0.18 4.34 1.74 -1.26 -2.72 116.66 124.60 2b63 n ARG 54 Ca 0.08 0.12 0.12 0.00 -0.77 0.00 0.00 57.85 57.41 2b63 n ARG 54 Cb 0.48 -1.58 0.25 0.00 -1.02 0.00 0.00 32.46 30.59 2b63 n ARG 54 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2b63 h LYS 55 N 0.00 0.00 -6.22 5.56 1.79 -1.97 -3.45 116.57 112.29 2b63 h LYS 55 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 2b63 h LYS 55 Cb 0.47 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.08 2b63 h LYS 55 CO 0.00 0.00 0.21 0.08 -1.08 0.00 0.00 179.45 178.66 2b63 s VAL 56 N -3.17 4.93 -0.21 0.50 1.01 -1.10 -0.56 120.40 121.80 2b63 s VAL 56 Ca 0.08 1.71 0.22 0.00 0.00 0.00 0.00 61.98 63.99 2b63 s VAL 56 Cb 0.08 -4.16 -0.23 0.00 0.00 0.00 0.00 36.38 32.07 2b63 s VAL 56 CO 0.65 0.23 0.70 0.18 0.00 0.00 0.00 175.10 176.85 2b63 n LEU 57 N 3.68 0.33 -3.63 3.92 4.77 0.89 -4.90 117.00 122.06 2b63 n LEU 57 Ca 0.01 0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 55.88 2b63 n LEU 57 Cb 0.51 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 2b63 n LEU 57 CO 0.49 -0.02 0.37 0.12 -1.33 0.00 0.00 177.39 177.03 2b63 s PHE 58 N -3.41 -0.71 -0.30 -1.77 5.36 0.48 -4.93 117.98 112.70 2b63 s PHE 58 Ca -0.04 1.65 -0.11 0.00 -0.96 0.00 0.00 56.93 57.47 2b63 s PHE 58 Cb 0.13 0.28 0.16 0.00 -0.34 0.00 0.00 43.02 43.25 2b63 s PHE 58 CO 0.87 -0.40 0.83 0.00 -1.46 0.00 0.00 175.22 175.06 2b63 s ALA 59 N 0.04 -2.52 0.06 11.12 0.00 -1.25 -1.34 121.76 127.87 2b63 s ALA 59 Ca -0.02 2.05 -0.16 0.00 0.00 0.00 0.00 51.96 53.82 2b63 s ALA 59 Cb -0.04 -2.04 0.03 0.00 0.00 0.00 0.00 23.12 21.08 2b63 s ALA 59 CO 0.03 -1.06 0.38 0.00 0.00 0.00 0.00 175.76 175.11 2b63 s ALA 60 N 2.71 -0.90 0.29 0.00 0.00 -1.17 -5.01 121.76 117.68 2b63 s ALA 60 Ca 0.00 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.13 2b63 s ALA 60 Cb -0.10 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 2b63 s ALA 60 CO -0.18 -0.49 0.16 1.52 0.00 0.00 0.00 175.76 176.78 2b63 s TYR 61 N -2.83 1.55 -0.27 0.00 -0.00 -1.26 -0.86 117.35 113.67 2b63 s TYR 61 Ca -0.03 -1.39 -0.27 0.00 -0.00 0.00 0.00 57.07 55.37 2b63 s TYR 61 Cb 0.00 -0.80 0.18 0.00 -0.00 0.00 0.00 41.96 41.34 2b63 s TYR 61 CO -0.05 -0.57 1.31 -1.59 -0.00 0.00 0.00 175.55 174.65 2b63 s LYS 62 N -3.84 0.17 -0.40 -3.49 -2.85 -1.01 -4.99 119.74 103.34 2b63 s LYS 62 Ca 0.37 0.10 -0.18 0.00 -1.00 0.00 0.00 55.97 55.26 2b63 s LYS 62 Cb 0.05 0.08 0.01 0.00 -2.06 0.00 0.00 37.83 35.91 2b63 s LYS 62 CO 0.18 -0.04 0.49 0.14 0.10 0.00 0.00 175.35 176.21 2b63 s VAL 63 N -0.54 5.03 0.54 1.79 -7.23 -1.26 -2.11 120.40 116.61 2b63 s VAL 63 Ca 0.06 -0.03 0.23 0.00 -1.81 0.00 0.00 61.98 60.44 2b63 s VAL 63 Cb -0.03 -4.02 0.30 0.00 0.56 0.00 0.00 36.38 33.19 2b63 s VAL 63 CO -0.09 -0.36 2.18 -0.33 -0.31 0.00 0.00 175.10 176.18 2b63 h GLU 64 N 8.65 0.00 -1.14 4.82 5.08 -1.90 -3.43 114.58 126.66 2b63 h GLU 64 Ca -0.27 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.26 2b63 h GLU 64 Cb 1.12 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.09 2b63 h GLU 64 CO 0.80 0.03 0.43 -1.58 -1.00 0.00 0.00 179.01 177.69 2b63 s HIS 65 N -4.75 -0.44 0.55 4.33 5.04 -1.26 -5.05 115.29 113.70 2b63 s HIS 65 Ca -0.05 0.83 0.44 0.00 -1.54 0.00 0.00 55.06 54.75 2b63 s HIS 65 Cb 0.16 0.27 1.65 0.00 0.04 0.00 0.00 32.58 34.69 2b63 s HIS 65 CO 0.61 -0.22 1.67 -1.00 -2.34 0.00 0.00 174.74 173.46 2b63 h PRO 66 N 6.37 0.01 -0.98 2.88 0.13 -1.98 -1.86 132.00 136.56 2b63 h PRO 66 Ca -0.23 -0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.93 2b63 h PRO 66 Cb 1.16 -0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 2b63 h PRO 66 CO 0.16 0.00 0.64 0.74 -0.23 0.00 0.00 178.00 179.32 2b63 h PHE 67 N 0.01 1.21 -3.69 1.56 0.05 -2.00 -3.42 116.94 110.66 2b63 h PHE 67 Ca 0.78 0.03 -0.68 0.00 3.82 0.00 0.00 57.97 61.93 2b63 h PHE 67 Cb 3.11 -0.40 -0.22 0.00 2.00 0.00 0.00 35.95 40.43 2b63 h PHE 67 CO -0.00 0.71 -0.73 -0.06 -0.18 0.00 0.00 178.31 178.05 2b63 s PHE 68 N -6.06 2.83 -0.61 -0.55 2.99 -0.70 -5.07 117.98 110.82 2b63 s PHE 68 Ca -0.13 -0.21 -0.24 0.00 0.00 0.00 0.00 56.93 56.35 2b63 s PHE 68 Cb 0.19 -1.73 0.05 0.00 0.00 0.00 0.00 43.02 41.53 2b63 s PHE 68 CO 0.81 0.13 0.97 0.00 -0.00 0.00 0.00 175.22 177.13 2b63 s ALA 69 N -0.42 3.12 -0.23 5.36 0.00 -1.26 -4.70 121.76 123.63 2b63 s ALA 69 Ca 0.05 -1.50 -0.30 0.00 0.00 0.00 0.00 51.96 50.21 2b63 s ALA 69 Cb -0.12 -3.82 0.16 0.00 0.00 0.00 0.00 23.12 19.35 2b63 s ALA 69 CO 0.02 -2.60 1.22 -0.98 0.00 0.00 0.00 175.76 173.42 2b63 s ARG 70 N 4.10 0.27 0.13 0.00 1.70 -1.09 -2.25 118.95 121.81 2b63 s ARG 70 Ca 0.27 0.04 -0.11 0.00 -0.47 0.00 0.00 55.73 55.46 2b63 s ARG 70 Cb -0.14 0.13 0.01 0.00 -0.57 0.00 0.00 34.95 34.37 2b63 s ARG 70 CO 0.15 -0.09 0.29 -0.59 -1.08 0.00 0.00 175.30 173.98 2b63 s PHE 71 N -1.26 0.14 -0.17 5.89 -0.12 -0.86 -4.23 117.98 117.36 2b63 s PHE 71 Ca 0.06 -0.52 -0.00 0.00 -0.05 0.00 0.00 56.93 56.41 2b63 s PHE 71 Cb -0.01 0.04 0.00 0.00 -0.63 0.00 0.00 43.02 42.42 2b63 s PHE 71 CO -0.04 -0.66 -0.15 0.15 -0.05 0.00 0.00 175.22 174.47 2b63 s LYS 72 N -3.88 3.19 -0.20 1.99 1.02 -0.90 0.01 119.74 120.97 2b63 s LYS 72 Ca 0.09 -0.75 -0.04 0.00 0.02 0.00 0.00 55.97 55.29 2b63 s LYS 72 Cb 0.03 -2.65 -0.01 0.00 -0.52 0.00 0.00 37.83 34.67 2b63 s LYS 72 CO -0.07 -0.05 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.10 2b63 s LEU 73 N 0.98 2.98 -0.17 3.17 2.96 0.27 -2.40 118.68 126.47 2b63 s LEU 73 Ca -0.02 -0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 53.51 2b63 s LEU 73 Cb -0.15 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2b63 s LEU 73 CO -0.03 0.04 0.05 -0.60 -1.32 0.00 0.00 176.35 174.49 2b63 s ARG 74 N 1.14 3.81 -0.07 1.98 3.52 -0.04 -0.28 118.95 129.01 2b63 s ARG 74 Ca 0.02 -0.36 0.04 0.00 -0.13 0.00 0.00 55.73 55.31 2b63 s ARG 74 Cb -0.15 -3.14 -0.00 0.00 -1.56 0.00 0.00 34.95 30.11 2b63 s ARG 74 CO -0.00 0.35 -0.21 0.42 -0.81 0.00 0.00 175.30 175.05 2b63 s ILE 75 N 0.15 1.75 -0.02 4.11 -1.09 0.18 -3.03 121.20 123.25 2b63 s ILE 75 Ca 0.04 -0.87 -0.00 0.00 -2.23 0.00 0.00 60.65 57.59 2b63 s ILE 75 Cb -0.12 -1.52 0.03 0.00 -1.58 0.00 0.00 42.46 39.27 2b63 s ILE 75 CO 0.01 0.49 0.03 -1.58 -1.23 0.00 0.00 174.94 172.66 2b63 s GLN 76 N 0.21 -0.04 0.22 2.79 0.74 -0.45 0.06 119.66 123.19 2b63 s GLN 76 Ca -0.11 0.19 -0.00 0.00 0.05 0.00 0.00 55.36 55.48 2b63 s GLN 76 Cb -0.15 -0.24 -0.04 0.00 1.10 0.00 0.00 33.01 33.68 2b63 s GLN 76 CO 0.05 -0.16 0.13 0.95 -0.55 0.00 0.00 175.29 175.71 2b63 s THR 77 N 1.05 0.08 0.71 -0.34 -4.23 -1.26 0.30 115.64 111.95 2b63 s THR 77 Ca -0.09 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.26 2b63 s THR 77 Cb -0.13 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 2b63 s THR 77 CO -0.03 0.00 0.52 0.41 -0.54 0.00 0.00 174.62 174.98 2b63 n THR 78 N -0.32 1.78 -1.36 3.99 -1.04 0.28 -4.76 114.28 112.85 2b63 n THR 78 Ca 0.02 -0.40 -0.33 0.00 -2.04 0.00 0.00 64.05 61.30 2b63 n THR 78 Cb 0.66 -0.73 0.09 0.00 -1.82 0.00 0.00 70.33 68.54 2b63 n THR 78 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2b63 s GLU 79 N -2.70 2.15 0.00 -2.82 2.12 -1.26 -2.51 118.70 113.68 2b63 s GLU 79 Ca 0.66 1.51 0.00 0.00 0.36 0.00 0.00 54.97 57.49 2b63 s GLU 79 Cb -0.36 -1.86 0.00 0.00 0.26 0.00 0.00 34.13 32.17 2b63 s GLU 79 CO 0.58 -1.77 0.00 0.41 -0.54 0.00 0.00 175.26 173.93 2b63 n GLY 80 N -0.19 1.57 3.04 -1.50 0.00 -1.26 -4.96 105.19 101.88 2b63 n GLY 80 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2b63 n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2b63 s TYR 81 N -3.37 3.65 0.12 1.61 6.04 -1.04 -5.09 117.35 119.27 2b63 s TYR 81 Ca 0.00 -2.81 -0.31 0.00 0.04 0.00 0.00 57.07 53.99 2b63 s TYR 81 Cb 0.00 -2.75 -0.09 0.00 -1.04 0.00 0.00 41.96 38.07 2b63 s TYR 81 CO 0.00 -0.94 1.60 0.34 -1.54 0.00 0.00 175.55 175.02 2b63 s ASP 82 N 1.02 6.60 0.20 4.32 -1.08 -1.26 -4.65 116.67 121.82 2b63 s ASP 82 Ca 0.07 2.55 -0.11 0.00 -0.52 0.00 0.00 52.55 54.53 2b63 s ASP 82 Cb -0.20 -2.58 0.13 0.00 -1.46 0.00 0.00 42.92 38.81 2b63 s ASP 82 CO -0.07 -0.85 1.84 1.55 0.52 0.00 0.00 175.17 178.16 2b63 h PRO 83 N 7.54 0.93 -0.68 4.34 0.13 -1.93 -2.70 132.00 139.63 2b63 h PRO 83 Ca -0.43 -0.08 0.13 0.00 -0.87 0.00 0.00 66.00 64.76 2b63 h PRO 83 Cb 1.20 -0.20 -0.13 0.00 0.13 0.00 0.00 31.00 32.01 2b63 h PRO 83 CO 0.92 0.65 -0.25 0.87 -0.23 0.00 0.00 178.00 179.96 2b63 h LYS 84 N 0.94 -0.06 0.10 0.86 1.57 -1.97 0.21 116.57 118.22 2b63 h LYS 84 Ca 0.25 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.05 2b63 h LYS 84 Cb -0.05 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 2b63 h LYS 84 CO -0.05 -0.04 -0.50 -0.44 -0.57 0.00 0.00 179.45 177.85 2b63 h ASP 85 N -0.07 -1.49 -0.86 0.86 3.32 -1.88 -1.52 116.42 114.79 2b63 h ASP 85 Ca 0.30 0.16 0.16 0.00 0.02 0.00 0.00 57.03 57.67 2b63 h ASP 85 Cb 0.54 0.56 -0.15 0.00 0.22 0.00 0.00 39.33 40.49 2b63 h ASP 85 CO -0.73 -0.54 -0.26 0.00 -1.72 0.00 0.00 179.24 176.00 2b63 n ALA 86 N -2.91 0.09 0.09 3.45 0.00 0.62 0.59 120.51 122.44 2b63 n ALA 86 Ca -0.08 0.91 -0.09 0.00 0.00 0.00 0.00 53.44 54.18 2b63 n ALA 86 Cb 0.40 -0.50 -0.05 0.00 0.00 0.00 0.00 19.45 19.30 2b63 n ALA 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2b63 h LEU 87 N 0.00 -0.80 0.00 0.00 5.85 -0.26 -0.28 115.31 119.82 2b63 h LEU 87 Ca 0.37 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.17 2b63 h LEU 87 Cb 0.59 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.90 2b63 h LEU 87 CO -0.87 -0.32 0.00 0.29 -0.34 0.00 0.00 178.44 177.20 2b63 n LYS 88 N -4.02 0.00 -0.34 1.25 5.02 0.20 0.10 118.16 120.37 2b63 n LYS 88 Ca -0.05 0.60 0.17 0.00 -2.02 0.00 0.00 58.31 57.00 2b63 n LYS 88 Cb 0.23 -0.90 0.37 0.00 -0.02 0.00 0.00 35.03 34.71 2b63 n LYS 88 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2b63 h ASN 89 N 0.00 0.65 0.17 4.39 2.35 -1.11 0.43 115.58 122.47 2b63 h ASN 89 Ca 0.00 0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 2b63 h ASN 89 Cb 0.00 0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 2b63 h ASN 89 CO 0.00 0.11 -0.16 0.00 -1.65 0.00 0.00 177.43 175.73 2b63 h ALA 90 N 1.72 1.71 0.01 -0.83 0.00 0.25 0.24 119.26 122.37 2b63 h ALA 90 Ca 0.63 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.35 2b63 h ALA 90 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2b63 h ALA 90 CO -0.47 0.19 -0.22 0.00 0.00 0.00 0.00 179.25 178.75 2b63 h ASN 92 N -0.62 -0.73 -0.69 0.00 2.35 -0.81 0.21 115.58 115.29 2b63 h ASN 92 Ca -0.03 0.11 0.15 0.00 -0.55 0.00 0.00 56.30 55.98 2b63 h ASN 92 Cb 1.03 0.31 -0.12 0.00 0.05 0.00 0.00 38.32 39.60 2b63 h ASN 92 CO 0.04 -0.30 0.03 -1.28 -1.65 0.00 0.00 177.43 174.28 2b63 h SER 93 N -0.33 -0.25 -0.89 5.81 0.87 -0.61 0.22 113.55 118.36 2b63 h SER 93 Ca 0.08 0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2b63 h SER 93 Cb 0.46 0.29 -0.04 0.00 -0.44 0.00 0.00 62.40 62.66 2b63 h SER 93 CO -0.27 -0.13 0.54 0.40 -0.53 0.00 0.00 176.83 176.85 2b63 h ILE 94 N 0.14 1.25 0.84 2.23 1.08 -0.54 -1.83 117.51 120.67 2b63 h ILE 94 Ca 0.38 -0.53 -0.04 0.00 -0.39 0.00 0.00 64.86 64.27 2b63 h ILE 94 Cb 0.64 -0.02 0.01 0.00 -3.07 0.00 0.00 36.82 34.38 2b63 h ILE 94 CO -0.58 0.26 -0.40 0.40 -0.69 0.00 0.00 178.15 177.13 2b63 h ILE 95 N 1.23 0.00 -0.76 -0.67 1.08 0.24 -2.61 117.51 116.03 2b63 h ILE 95 Ca 0.32 -0.11 0.15 0.00 -0.39 0.00 0.00 64.86 64.82 2b63 h ILE 95 Cb -0.06 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.60 2b63 h ILE 95 CO -0.06 0.00 0.30 0.78 -0.69 0.00 0.00 178.15 178.48 2b63 h ASN 96 N -1.24 0.27 -0.52 1.72 2.35 -1.03 0.94 115.58 118.07 2b63 h ASN 96 Ca -0.12 0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2b63 h ASN 96 Cb 0.86 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.30 2b63 h ASN 96 CO 0.19 0.09 0.35 0.11 -1.65 0.00 0.00 177.43 176.52 2b63 h LYS 97 N 0.43 0.68 0.05 0.81 1.57 -1.34 0.94 116.57 119.71 2b63 h LYS 97 Ca 0.42 -0.04 -0.27 0.00 -1.87 0.00 0.00 60.65 58.89 2b63 h LYS 97 Cb 0.65 -0.15 0.02 0.00 0.08 0.00 0.00 32.23 32.82 2b63 h LYS 97 CO -0.41 0.45 -1.10 -0.07 -0.57 0.00 0.00 179.45 177.74 2b63 h LEU 98 N 0.70 0.80 -0.46 2.94 3.38 -0.06 -2.53 115.31 120.08 2b63 h LEU 98 Ca 0.19 -0.68 0.06 0.00 0.09 0.00 0.00 57.88 57.54 2b63 h LEU 98 Cb -0.07 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 2b63 h LEU 98 CO -0.04 1.49 0.15 1.23 0.09 0.00 0.00 178.44 181.36 2b63 h GLY 99 N 0.60 0.60 0.95 0.83 0.00 0.18 0.25 103.07 106.49 2b63 h GLY 99 Ca -0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 2b63 h GLY 99 CO 0.21 0.00 -0.48 0.00 0.00 0.00 0.00 176.54 176.27 2b63 h ALA 100 N 1.31 -1.31 -0.79 3.60 0.00 -0.88 -3.05 119.26 118.15 2b63 h ALA 100 Ca 0.22 -0.28 0.18 0.00 0.00 0.00 0.00 54.91 55.03 2b63 h ALA 100 Cb 0.23 0.54 -0.12 0.00 0.00 0.00 0.00 17.79 18.45 2b63 h ALA 100 CO -0.24 -1.24 0.23 1.25 0.00 0.00 0.00 179.25 179.25 2b63 h LEU 101 N -1.29 0.08 -0.67 0.00 6.46 -0.91 -0.25 115.31 118.73 2b63 h LEU 101 Ca -0.13 0.15 0.11 0.00 -0.12 0.00 0.00 57.88 57.90 2b63 h LEU 101 Cb 1.00 0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 41.04 2b63 h LEU 101 CO 0.19 -0.04 0.27 0.50 -0.62 0.00 0.00 178.44 178.74 2b63 h LYS 102 N 0.30 0.43 0.00 1.25 3.64 -0.47 -0.77 116.57 120.95 2b63 h LYS 102 Ca 0.46 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 2b63 h LYS 102 Cb 0.82 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2b63 h LYS 102 CO -0.53 0.29 0.00 2.41 -2.27 0.00 0.00 179.45 179.35 2b63 n THR 103 N -4.98 0.00 -0.33 1.00 -1.04 -0.22 -2.61 114.28 106.11 2b63 n THR 103 Ca 0.11 1.24 0.27 0.00 -2.04 0.00 0.00 64.05 63.62 2b63 n THR 103 Cb 0.32 -2.23 0.51 0.00 -1.82 0.00 0.00 70.33 67.11 2b63 n THR 103 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2b63 h ASN 104 N 0.00 0.25 0.63 8.00 4.21 -1.16 0.04 115.58 127.55 2b63 h ASN 104 Ca 0.00 0.24 -0.03 0.00 1.21 0.00 0.00 56.30 57.72 2b63 h ASN 104 Cb 0.00 0.27 0.01 0.00 -1.12 0.00 0.00 38.32 37.47 2b63 h ASN 104 CO 0.00 -0.35 -0.30 0.15 -1.29 0.00 0.00 177.43 175.64 2b63 h PHE 105 N 0.09 -0.79 -0.94 1.19 3.57 -1.21 -3.14 116.94 115.70 2b63 h PHE 105 Ca 0.78 -0.02 0.29 0.00 3.53 0.00 0.00 57.97 62.55 2b63 h PHE 105 Cb 1.94 0.26 -0.16 0.00 2.79 0.00 0.00 35.95 40.78 2b63 h PHE 105 CO -0.08 -0.46 0.32 0.93 -2.23 0.00 0.00 178.31 176.79 2b63 h GLU 106 N -1.15 0.16 0.00 1.11 5.08 -0.75 -1.51 114.58 117.52 2b63 h GLU 106 Ca -0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2b63 h GLU 106 Cb 0.69 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2b63 h GLU 106 CO 0.14 0.11 0.00 2.41 -1.00 0.00 0.00 179.01 180.67 2b63 n THR 107 N -5.24 0.00 -0.43 1.13 -1.04 -0.80 -1.15 114.28 106.76 2b63 n THR 107 Ca 0.26 1.45 0.37 0.00 -2.04 0.00 0.00 64.05 64.09 2b63 n THR 107 Cb 0.85 -2.26 0.64 0.00 -1.82 0.00 0.00 70.33 67.75 2b63 n THR 107 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2b63 h GLU 108 N 0.00 0.05 0.04 -2.82 4.39 -1.26 0.32 114.58 115.31 2b63 h GLU 108 Ca 0.00 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2b63 h GLU 108 Cb 0.00 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2b63 h GLU 108 CO 0.00 0.03 -0.02 2.35 -1.16 0.00 0.00 179.01 180.21 2b63 h TRP 109 N 0.05 -0.05 -0.81 4.33 2.91 -0.69 -3.02 115.95 118.67 2b63 h TRP 109 Ca 0.85 -0.00 0.20 0.00 1.13 0.00 0.00 58.89 61.06 2b63 h TRP 109 Cb 2.57 0.02 -0.12 0.00 -0.51 0.00 0.00 29.16 31.12 2b63 h TRP 109 CO -0.01 0.33 0.22 -0.91 -1.03 0.00 0.00 178.44 177.05 2b63 h ASN 110 N -0.45 0.03 0.00 2.65 2.35 0.12 0.13 115.58 120.41 2b63 h ASN 110 Ca -0.01 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2b63 h ASN 110 Cb 0.41 0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2b63 h ASN 110 CO 0.01 -0.08 0.00 0.18 -1.65 0.00 0.00 177.43 175.89 2b63 n LEU 111 N -5.17 1.82 -4.37 1.61 4.77 -0.94 -4.80 117.00 109.91 2b63 n LEU 111 Ca 0.18 -0.89 -0.28 0.00 -0.03 0.00 0.00 56.01 54.98 2b63 n LEU 111 Cb 0.57 -0.32 -0.13 0.00 -2.33 0.00 0.00 43.42 41.21 2b63 n LEU 111 CO 0.10 0.31 -0.56 -1.10 -1.33 0.00 0.00 177.39 174.81 2b63 s GLN 112 N 0.49 1.41 -0.17 3.23 -1.52 0.44 -5.04 119.66 118.51 2b63 s GLN 112 Ca 0.00 -1.29 0.01 0.00 -1.95 0.00 0.00 55.36 52.13 2b63 s GLN 112 Cb 0.00 -1.83 0.03 0.00 -0.22 0.00 0.00 33.01 30.99 2b63 s GLN 112 CO 0.00 0.44 -0.15 0.99 -0.25 0.00 0.00 175.29 176.32 2b63 s THR 113 N -1.04 1.74 0.00 -0.19 2.01 -1.26 -5.01 115.64 111.88 2b63 s THR 113 Ca 0.13 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.32 2b63 s THR 113 Cb -0.10 -1.64 0.00 0.00 0.01 0.00 0.00 72.50 70.77 2b63 s THR 113 CO 0.05 0.42 0.00 -0.11 -0.69 0.00 0.00 174.62 174.29 2b63 n LEU 114 N 4.71 0.00 0.00 4.42 0.00 -1.26 -5.27 117.00 119.60 2b63 n LEU 114 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.83 2b63 n LEU 114 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.91 2b63 n LEU 114 CO 0.22 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.61