#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3a s LYS 2 N 0.00 3.04 -0.29 0.03 -0.14 -1.26 -5.05 119.74 116.08 2k3a s LYS 2 Ca 0.00 -0.86 0.04 0.00 -1.36 0.00 0.00 55.97 53.79 2k3a s LYS 2 Cb 0.00 -3.14 0.18 0.00 -1.68 0.00 0.00 37.83 33.20 2k3a s LYS 2 CO 0.00 -0.38 0.52 -1.59 -0.76 0.00 0.00 175.35 173.14 2k3a s LYS 3 N 1.42 0.50 -0.48 1.68 -2.85 -1.26 -5.11 119.74 113.65 2k3a s LYS 3 Ca 0.02 0.44 0.04 0.00 -1.00 0.00 0.00 55.97 55.47 2k3a s LYS 3 Cb -0.16 0.06 0.12 0.00 -2.06 0.00 0.00 37.83 35.79 2k3a s LYS 3 CO -0.02 -0.99 0.22 -0.51 0.10 0.00 0.00 175.35 174.15 2k3a s LEU 4 N 2.72 4.19 0.02 2.77 1.43 -1.26 -5.09 118.68 123.47 2k3a s LEU 4 Ca 0.11 -2.81 0.00 0.00 -1.03 0.00 0.00 54.13 50.40 2k3a s LEU 4 Cb -0.11 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 2k3a s LEU 4 CO -0.27 -0.26 -0.03 0.68 0.23 0.00 0.00 176.35 176.70 2k3a s VAL 5 N 0.00 0.16 -0.24 -1.59 -7.23 -1.26 -5.17 120.40 105.07 2k3a s VAL 5 Ca 0.16 -0.97 -0.24 0.00 -1.81 0.00 0.00 61.98 59.12 2k3a s VAL 5 Cb -0.25 -0.36 0.07 0.00 0.56 0.00 0.00 36.38 36.40 2k3a s VAL 5 CO -0.02 -0.51 0.67 0.28 -0.31 0.00 0.00 175.10 175.21 2k3a s THR 6 N -1.57 0.00 -0.28 5.32 -1.32 -1.26 -5.14 115.64 111.39 2k3a s THR 6 Ca -0.14 -0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.34 2k3a s THR 6 Cb -0.09 -0.94 0.08 0.00 -1.51 0.00 0.00 72.50 70.04 2k3a s THR 6 CO -0.01 -0.00 0.02 0.00 -2.21 0.00 0.00 174.62 172.42 2k3a s ALA 7 N 0.29 2.00 -0.14 11.08 0.00 -1.26 -5.12 121.76 128.61 2k3a s ALA 7 Ca -0.00 -1.69 -0.08 0.00 0.00 0.00 0.00 51.96 50.19 2k3a s ALA 7 Cb -0.05 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 2k3a s ALA 7 CO 0.01 -1.45 0.15 0.95 0.00 0.00 0.00 175.76 175.43 2k3a s THR 8 N 1.37 5.46 -0.08 0.00 -4.23 -1.26 -5.01 115.64 111.89 2k3a s THR 8 Ca 0.03 0.23 0.13 0.00 -1.18 0.00 0.00 61.69 60.90 2k3a s THR 8 Cb -0.18 -3.44 0.24 0.00 1.34 0.00 0.00 72.50 70.46 2k3a s THR 8 CO -0.12 0.55 1.12 1.07 -0.54 0.00 0.00 174.62 176.70 2k3a n THR 9 N 2.51 1.03 -2.35 3.99 5.66 -1.26 -4.99 114.28 118.88 2k3a n THR 9 Ca -0.18 -1.49 -0.36 0.00 -3.05 0.00 0.00 64.05 58.97 2k3a n THR 9 Cb 0.54 0.19 -0.03 0.00 -1.55 0.00 0.00 70.33 69.48 2k3a n THR 9 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2k3a s LEU 10 N -1.55 3.41 -0.08 1.09 1.02 -1.26 -4.65 118.68 116.65 2k3a s LEU 10 Ca 0.23 -1.48 0.11 0.00 0.02 0.00 0.00 54.13 53.01 2k3a s LEU 10 Cb 0.22 -2.57 0.17 0.00 0.02 0.00 0.00 46.19 44.03 2k3a s LEU 10 CO -0.03 -2.02 1.07 0.35 0.02 0.00 0.00 176.35 175.74 2k3a n THR 11 N 7.20 1.36 -2.01 5.49 -2.24 -1.26 -5.05 114.28 117.77 2k3a n THR 11 Ca 0.40 -1.59 -0.42 0.00 -2.27 0.00 0.00 64.05 60.17 2k3a n THR 11 Cb 0.48 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 2k3a n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k3a s ALA 12 N -1.95 3.63 -0.40 6.98 0.00 -1.26 -4.93 121.76 123.83 2k3a s ALA 12 Ca 0.19 1.01 0.10 0.00 0.00 0.00 0.00 51.96 53.26 2k3a s ALA 12 Cb 0.17 -3.71 0.34 0.00 0.00 0.00 0.00 23.12 19.92 2k3a s ALA 12 CO 0.02 -1.25 0.88 0.41 0.00 0.00 0.00 175.76 175.82 2k3a n GLY 13 N 4.03 2.47 3.76 0.00 0.00 -1.26 -5.13 105.19 109.05 2k3a n GLY 13 Ca 0.16 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 2k3a n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k3a s ILE 14 N -1.44 3.83 0.00 -0.61 1.09 -1.26 -5.03 121.20 117.77 2k3a s ILE 14 Ca 0.33 1.74 0.00 0.00 -1.10 0.00 0.00 60.65 61.62 2k3a s ILE 14 Cb 0.33 -4.06 0.00 0.00 -1.06 0.00 0.00 42.46 37.67 2k3a s ILE 14 CO -0.07 0.33 0.00 0.61 -0.10 0.00 0.00 174.94 175.72 2k3a n GLY 15 N 1.10 0.54 3.28 6.18 0.00 -1.26 -5.19 105.19 109.83 2k3a n GLY 15 Ca -0.00 0.65 -0.10 0.00 0.00 0.00 0.00 46.02 46.57 2k3a n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3a s ALA 16 N 0.00 0.32 -0.01 4.61 0.00 -1.26 -5.18 121.76 120.23 2k3a s ALA 16 Ca 0.00 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 2k3a s ALA 16 Cb 0.00 0.89 0.01 0.00 0.00 0.00 0.00 23.12 24.03 2k3a s ALA 16 CO 0.00 -0.60 0.22 0.00 0.00 0.00 0.00 175.76 175.38 2k3a s ALA 17 N -4.00 -0.55 0.10 0.00 0.00 -1.26 -5.18 121.76 110.88 2k3a s ALA 17 Ca 0.20 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.35 2k3a s ALA 17 Cb 0.05 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2k3a s ALA 17 CO 0.01 -0.22 -0.09 0.96 0.00 0.00 0.00 175.76 176.42 2k3a s ILE 18 N -1.19 0.92 0.00 0.00 -4.36 -1.26 -5.17 121.20 110.14 2k3a s ILE 18 Ca -0.13 -1.74 0.00 0.00 -0.26 0.00 0.00 60.65 58.52 2k3a s ILE 18 Cb -0.06 -1.47 -0.00 0.00 1.25 0.00 0.00 42.46 42.17 2k3a s ILE 18 CO 0.03 -0.64 -0.01 0.54 0.24 0.00 0.00 174.94 175.10 2k3a s VAL 19 N -2.77 0.03 -0.38 8.37 0.11 -1.26 -5.13 120.40 119.36 2k3a s VAL 19 Ca 0.08 -0.13 0.02 0.00 -2.93 0.00 0.00 61.98 59.03 2k3a s VAL 19 Cb -0.01 -0.05 0.11 0.00 -1.53 0.00 0.00 36.38 34.90 2k3a s VAL 19 CO -0.01 -0.06 0.14 -0.83 -3.33 0.00 0.00 175.10 171.01 2k3a s GLY 20 N -0.20 1.75 -0.96 6.54 0.00 -1.26 -5.05 107.32 108.14 2k3a s GLY 20 Ca -0.02 -2.45 -0.22 0.00 0.00 0.00 0.00 44.72 42.03 2k3a s GLY 20 CO -0.00 1.25 1.32 1.08 0.00 0.00 0.00 173.10 176.75 2k3a s LEU 21 N 0.76 4.00 -0.40 0.66 1.02 -1.26 -4.99 118.68 118.47 2k3a s LEU 21 Ca 0.13 -1.56 -0.28 0.00 0.02 0.00 0.00 54.13 52.44 2k3a s LEU 21 Cb -0.21 -2.51 0.02 0.00 0.02 0.00 0.00 46.19 43.51 2k3a s LEU 21 CO -0.09 -1.39 1.06 -0.62 0.02 0.00 0.00 176.35 175.32 2k3a s ASP 22 N 4.43 6.73 0.26 2.29 2.15 -1.26 -5.00 116.67 126.26 2k3a s ASP 22 Ca 0.40 0.65 -0.02 0.00 0.43 0.00 0.00 52.55 54.01 2k3a s ASP 22 Cb -0.03 -2.52 -0.03 0.00 -0.30 0.00 0.00 42.92 40.05 2k3a s ASP 22 CO -0.08 -1.03 0.27 -1.00 -0.17 0.00 0.00 175.17 173.17 2k3a s HIS 23 N 3.93 1.12 0.00 -5.34 3.76 -1.26 -5.14 115.29 112.37 2k3a s HIS 23 Ca 0.44 -1.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.04 2k3a s HIS 23 Cb -0.10 -0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.20 2k3a s HIS 23 CO 0.23 -0.82 0.00 0.41 -0.85 0.00 0.00 174.74 173.71 2k3a n GLY 24 N -0.40 2.06 0.00 -2.22 0.00 -1.26 -5.09 105.19 98.27 2k3a n GLY 24 Ca 0.02 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2k3a n GLY 24 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k3a n ASN 25 N 0.00 1.08 -3.18 1.61 6.94 -1.26 -5.11 115.26 115.34 2k3a n ASN 25 Ca 0.00 -0.49 -0.13 0.00 -0.02 0.00 0.00 54.58 53.94 2k3a n ASN 25 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 2k3a n ASN 25 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 2k3a s GLU 26 N -0.01 1.98 0.52 -3.83 1.03 -1.26 -4.91 118.70 112.22 2k3a s GLU 26 Ca 0.00 -1.68 0.07 0.00 0.03 0.00 0.00 54.97 53.39 2k3a s GLU 26 Cb 0.00 0.49 0.07 0.00 -0.80 0.00 0.00 34.13 33.88 2k3a s GLU 26 CO 0.00 -0.85 0.57 0.00 -1.33 0.00 0.00 175.26 173.65 2k3a n ALA 27 N -0.56 0.97 1.58 -0.84 0.00 -1.26 -5.01 120.51 115.39 2k3a n ALA 27 Ca -0.01 -1.96 0.15 0.00 0.00 0.00 0.00 53.44 51.62 2k3a n ALA 27 Cb 0.61 0.66 0.77 0.00 0.00 0.00 0.00 19.45 21.50 2k3a n ALA 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k3a n ASP 28 N -2.14 0.15 -4.60 0.00 8.00 -1.26 -4.80 116.55 111.90 2k3a n ASP 28 Ca 0.07 -0.52 -0.43 0.00 0.71 0.00 0.00 54.79 54.63 2k3a n ASP 28 Cb 0.56 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.49 2k3a n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k3a s ALA 29 N -2.38 3.05 0.22 2.24 0.00 -1.26 -4.98 121.76 118.65 2k3a s ALA 29 Ca 0.34 -0.29 -0.11 0.00 0.00 0.00 0.00 51.96 51.90 2k3a s ALA 29 Cb 0.21 -3.95 -0.00 0.00 0.00 0.00 0.00 23.12 19.38 2k3a s ALA 29 CO 0.44 -2.41 0.41 0.00 0.00 0.00 0.00 175.76 174.19 2k3a s ALA 30 N 5.23 -0.15 0.01 0.00 0.00 -1.26 -5.12 121.76 120.46 2k3a s ALA 30 Ca 0.57 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.70 2k3a s ALA 30 Cb -0.11 1.02 -0.01 0.00 0.00 0.00 0.00 23.12 24.01 2k3a s ALA 30 CO 0.32 -0.78 -0.11 -2.00 0.00 0.00 0.00 175.76 173.19 2k3a s GLU 31 N -4.00 0.83 -1.12 0.00 2.12 -1.26 -5.07 118.70 110.20 2k3a s GLU 31 Ca 0.21 -0.48 -0.22 0.00 0.36 0.00 0.00 54.97 54.83 2k3a s GLU 31 Cb 0.01 -0.80 -0.04 0.00 0.26 0.00 0.00 34.13 33.56 2k3a s GLU 31 CO 0.06 0.21 1.86 -0.65 -0.54 0.00 0.00 175.26 176.19 2k3a s GLN 32 N -0.53 2.88 0.09 4.30 -0.21 -1.26 -4.82 119.66 120.10 2k3a s GLN 32 Ca 0.02 -1.09 -0.27 0.00 0.02 0.00 0.00 55.36 54.05 2k3a s GLN 32 Cb -0.05 -5.26 0.09 0.00 1.00 0.00 0.00 33.01 28.79 2k3a s GLN 32 CO 0.00 -3.36 1.12 -0.08 -2.12 0.00 0.00 175.29 170.85 2k3a s THR 33 N 9.01 0.00 -0.57 -0.19 -1.32 -1.26 -5.12 115.64 116.19 2k3a s THR 33 Ca 0.64 -0.45 -0.06 0.00 -1.21 0.00 0.00 61.69 60.61 2k3a s THR 33 Cb -0.01 -2.23 0.15 0.00 -1.51 0.00 0.00 72.50 68.89 2k3a s THR 33 CO 0.06 0.00 0.41 -1.10 -2.21 0.00 0.00 174.62 171.78 2k3a s GLN 34 N -2.68 2.55 0.48 7.08 -0.21 -1.26 -5.09 119.66 120.53 2k3a s GLN 34 Ca 0.16 -2.20 -0.23 0.00 0.02 0.00 0.00 55.36 53.11 2k3a s GLN 34 Cb 0.01 -3.83 -0.07 0.00 1.00 0.00 0.00 33.01 30.12 2k3a s GLN 34 CO 0.00 -1.17 1.28 -2.14 -2.12 0.00 0.00 175.29 171.14 2k3a s PRO 35 N 0.54 3.56 -0.29 2.91 0.02 -1.26 -4.91 135.00 135.57 2k3a s PRO 35 Ca 0.13 2.05 -0.28 0.00 0.02 0.00 0.00 61.00 62.92 2k3a s PRO 35 Cb -0.21 -2.43 -0.04 0.00 0.02 0.00 0.00 34.50 31.84 2k3a s PRO 35 CO -0.04 -0.79 2.08 -0.08 -0.33 0.00 0.00 177.00 177.84 2k3a s THR 36 N -1.38 3.18 -1.37 0.99 -1.32 -1.26 -4.88 115.64 109.59 2k3a s THR 36 Ca 0.65 0.18 -0.11 0.00 -1.21 0.00 0.00 61.69 61.20 2k3a s THR 36 Cb -0.36 -3.26 0.10 0.00 -1.51 0.00 0.00 72.50 67.47 2k3a s THR 36 CO 0.43 -0.18 2.13 0.59 -2.21 0.00 0.00 174.62 175.38 2k3a n ASN 37 N 11.57 5.14 0.24 8.08 3.02 -1.26 -4.76 115.26 137.29 2k3a n ASN 37 Ca 0.28 -2.98 -0.10 0.00 -0.03 0.00 0.00 54.58 51.75 2k3a n ASN 37 Cb 0.47 -1.54 -0.05 0.00 -0.61 0.00 0.00 39.78 38.05 2k3a n ASN 37 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2k3a h GLN 38 N 5.69 -0.61 -6.13 3.52 1.08 -2.01 -3.44 115.11 113.20 2k3a h GLN 38 Ca 0.52 0.04 -0.56 0.00 -1.45 0.00 0.00 58.65 57.20 2k3a h GLN 38 Cb 0.58 0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 28.10 2k3a h GLN 38 CO 1.72 -0.41 0.02 -1.12 -0.95 0.00 0.00 178.83 178.09 2k3a s SER 39 N -3.60 7.02 -0.02 1.46 0.01 -1.26 -4.96 113.70 112.35 2k3a s SER 39 Ca -0.09 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.39 2k3a s SER 39 Cb 0.01 -2.38 0.03 0.00 0.21 0.00 0.00 66.02 63.89 2k3a s SER 39 CO 0.28 0.10 0.93 0.35 0.41 0.00 0.00 173.24 175.31 2k3a n THR 40 N 2.66 0.87 -3.51 1.44 -2.24 -1.26 -4.63 114.28 107.61 2k3a n THR 40 Ca -0.06 -0.08 -0.08 0.00 -2.27 0.00 0.00 64.05 61.55 2k3a n THR 40 Cb 0.51 -0.86 -0.08 0.00 -2.10 0.00 0.00 70.33 67.79 2k3a n THR 40 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2k3a s THR 41 N -0.37 -0.65 0.55 4.28 2.01 -1.26 -5.17 115.64 115.03 2k3a s THR 41 Ca 0.03 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.15 2k3a s THR 41 Cb 0.02 -0.74 0.06 0.00 0.01 0.00 0.00 72.50 71.85 2k3a s THR 41 CO 0.01 -0.01 0.51 0.00 -0.69 0.00 0.00 174.62 174.44 2k3a n GLN 42 N 5.38 0.67 -5.00 4.92 -0.00 -1.26 -5.11 117.38 116.97 2k3a n GLN 42 Ca -0.06 -3.31 -0.32 0.00 -0.00 0.00 0.00 57.00 53.30 2k3a n GLN 42 Cb 0.50 0.19 -0.14 0.00 -0.00 0.00 0.00 30.24 30.79 2k3a n GLN 42 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2k3a s SER 43 N -4.29 3.76 -0.01 2.61 1.04 -1.26 -5.01 113.70 110.53 2k3a s SER 43 Ca 0.39 -0.28 0.24 0.00 0.48 0.00 0.00 55.95 56.78 2k3a s SER 43 Cb -0.03 -0.77 0.40 0.00 0.10 0.00 0.00 66.02 65.72 2k3a s SER 43 CO 0.25 0.33 1.16 0.35 0.98 0.00 0.00 173.24 176.31 2k3a n THR 44 N 2.43 0.12 -2.49 2.02 -2.24 -1.26 -4.85 114.28 108.01 2k3a n THR 44 Ca -0.17 -1.06 -0.43 0.00 -2.27 0.00 0.00 64.05 60.12 2k3a n THR 44 Cb 0.52 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 2k3a n THR 44 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k3a n SER 45 N 0.38 4.82 -4.16 3.42 7.64 -1.26 -4.69 113.62 119.76 2k3a n SER 45 Ca 0.06 -2.93 -0.35 0.00 1.01 0.00 0.00 58.87 56.67 2k3a n SER 45 Cb 1.10 -1.69 -0.14 0.00 -1.01 0.00 0.00 64.21 62.47 2k3a n SER 45 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2k3a s GLY 46 N 3.63 1.75 -0.65 0.23 0.00 -1.26 -3.66 107.32 107.36 2k3a s GLY 46 Ca 0.50 -1.79 -0.27 0.00 0.00 0.00 0.00 44.72 43.16 2k3a s GLY 46 CO 0.03 0.70 1.20 -1.35 0.00 0.00 0.00 173.10 173.68 2k3a s SER 47 N 1.25 6.30 0.23 1.64 1.04 0.79 -4.76 113.70 120.19 2k3a s SER 47 Ca -0.05 -0.22 0.09 0.00 0.48 0.00 0.00 55.95 56.25 2k3a s SER 47 Cb -0.20 -2.54 0.21 0.00 0.10 0.00 0.00 66.02 63.59 2k3a s SER 47 CO -0.02 -1.62 1.53 0.28 0.98 0.00 0.00 173.24 174.39 2k3a h SER 48 N 9.74 0.01 -4.33 7.02 0.02 -1.77 -3.42 113.55 120.82 2k3a h SER 48 Ca -0.27 -0.01 -0.51 0.00 -0.84 0.00 0.00 61.79 60.17 2k3a h SER 48 Cb 1.06 -0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.69 2k3a h SER 48 CO 1.22 0.72 0.36 0.00 -1.14 0.00 0.00 176.83 177.99 2k3a s ALA 49 N -3.39 2.59 -0.59 3.77 0.00 -1.26 -4.67 121.76 118.20 2k3a s ALA 49 Ca -0.01 0.03 -0.24 0.00 0.00 0.00 0.00 51.96 51.74 2k3a s ALA 49 Cb 0.12 -3.16 0.05 0.00 0.00 0.00 0.00 23.12 20.13 2k3a s ALA 49 CO 0.78 -1.33 0.95 1.21 0.00 0.00 0.00 175.76 177.37 2k3a s ASN 50 N -3.81 6.27 0.00 0.00 3.04 -1.26 -4.84 114.94 114.33 2k3a s ASN 50 Ca 0.59 -0.59 0.24 0.00 0.04 0.00 0.00 52.86 53.14 2k3a s ASN 50 Cb -0.14 -2.43 0.28 0.00 -1.54 0.00 0.00 41.25 37.42 2k3a s ASN 50 CO 0.55 -1.31 1.31 0.18 -3.04 0.00 0.00 177.10 174.79 2k3a n LEU 51 N 7.58 2.91 -4.62 3.21 7.99 -1.26 -5.00 117.00 127.81 2k3a n LEU 51 Ca -0.00 -1.00 -0.23 0.00 -0.01 0.00 0.00 56.01 54.76 2k3a n LEU 51 Cb 0.47 -0.02 -0.08 0.00 -0.11 0.00 0.00 43.42 43.68 2k3a n LEU 51 CO 0.64 0.50 -0.35 -0.47 -1.51 0.00 0.00 177.39 176.20 2k3a s TYR 52 N -1.96 2.61 0.41 -1.77 6.14 -1.26 -5.08 117.35 116.44 2k3a s TYR 52 Ca 0.30 -0.26 -0.24 0.00 0.64 0.00 0.00 57.07 57.50 2k3a s TYR 52 Cb 0.20 -1.20 -0.08 0.00 0.42 0.00 0.00 41.96 41.30 2k3a s TYR 52 CO 0.30 0.62 1.13 -0.08 0.64 0.00 0.00 175.55 178.16 2k3a s THR 53 N -2.38 3.33 0.38 4.34 -1.32 -1.26 -5.02 115.64 113.71 2k3a s THR 53 Ca 0.32 1.07 -0.19 0.00 -1.21 0.00 0.00 61.69 61.68 2k3a s THR 53 Cb -0.05 -3.57 -0.10 0.00 -1.51 0.00 0.00 72.50 67.26 2k3a s THR 53 CO 0.19 0.05 0.86 0.00 -2.21 0.00 0.00 174.62 173.51 2k3a s ALA 54 N -1.51 3.17 0.00 11.08 0.00 -1.26 -4.14 121.76 129.10 2k3a s ALA 54 Ca 0.58 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2k3a s ALA 54 Cb -0.27 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2k3a s ALA 54 CO 0.34 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.73 2k3a n GLY 55 N -0.45 2.80 3.77 0.00 0.00 -1.26 -5.06 105.19 104.99 2k3a n GLY 55 Ca 0.05 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 2k3a n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k3a s GLN 56 N 0.00 3.37 0.22 1.61 -1.52 -1.26 -4.90 119.66 117.19 2k3a s GLN 56 Ca 0.00 1.74 -0.07 0.00 -1.95 0.00 0.00 55.36 55.08 2k3a s GLN 56 Cb 0.00 -2.12 0.29 0.00 -0.22 0.00 0.00 33.01 30.96 2k3a s GLN 56 CO 0.00 -0.86 1.82 0.00 -0.25 0.00 0.00 175.29 176.00 2k3a h THR 58 N 0.80 0.98 0.23 0.00 1.35 -1.92 -1.52 112.91 112.83 2k3a h THR 58 Ca 0.33 -0.35 -0.01 0.00 -0.55 0.00 0.00 66.41 65.83 2k3a h THR 58 Cb 0.19 -0.14 0.00 0.00 -1.73 0.00 0.00 68.15 66.47 2k3a h THR 58 CO -0.18 0.19 -0.11 -0.25 -0.25 0.00 0.00 175.52 174.92 2k3a h TRP 59 N 1.03 -0.28 -0.81 4.73 7.01 -1.47 -0.55 115.95 125.61 2k3a h TRP 59 Ca 0.46 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.45 2k3a h TRP 59 Cb 0.37 0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.49 2k3a h TRP 59 CO -0.00 -0.16 0.48 -0.92 -2.79 0.00 0.00 178.44 175.05 2k3a h TYR 60 N -0.33 1.08 -0.41 2.65 3.20 -0.99 -1.07 116.97 121.11 2k3a h TYR 60 Ca -0.03 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 2k3a h TYR 60 Cb 0.25 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 2k3a h TYR 60 CO -0.05 0.73 0.08 0.28 -1.64 0.00 0.00 178.16 177.56 2k3a h VAL 61 N 1.12 1.19 -0.45 1.81 2.07 -1.23 -0.04 116.25 120.73 2k3a h VAL 61 Ca 0.29 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 67.16 2k3a h VAL 61 Cb -0.02 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 2k3a h VAL 61 CO -0.05 0.25 0.20 0.22 0.02 0.00 0.00 177.57 178.21 2k3a h TYR 62 N 0.59 0.37 -0.31 1.57 3.20 0.20 0.74 116.97 123.33 2k3a h TYR 62 Ca 0.13 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.86 2k3a h TYR 62 Cb 0.25 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 2k3a h TYR 62 CO 0.01 0.18 -0.43 -0.44 -1.64 0.00 0.00 178.16 175.83 2k3a h ASP 63 N 0.41 0.92 -0.13 -2.11 5.19 -1.15 -1.60 116.42 117.95 2k3a h ASP 63 Ca 0.20 -0.50 -0.01 0.00 -0.62 0.00 0.00 57.03 56.09 2k3a h ASP 63 Cb 0.13 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 2k3a h ASP 63 CO -0.16 1.24 0.05 0.11 -3.12 0.00 0.00 179.24 177.36 2k3a h LYS 64 N 0.62 0.25 -0.12 3.56 1.79 -0.52 0.26 116.57 122.40 2k3a h LYS 64 Ca 0.03 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2k3a h LYS 64 Cb 1.03 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 2k3a h LYS 64 CO 0.10 0.23 0.00 1.55 -1.08 0.00 0.00 179.45 180.25 2k3a n VAL 65 N -4.44 0.16 -1.50 0.50 3.14 0.21 -4.90 118.33 111.50 2k3a n VAL 65 Ca -0.00 -0.20 -0.12 0.00 -2.96 0.00 0.00 64.34 61.05 2k3a n VAL 65 Cb 0.13 0.08 -0.05 0.00 -1.06 0.00 0.00 33.84 32.95 2k3a n VAL 65 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k3a n GLY 66 N 0.90 1.10 2.36 7.55 0.00 0.08 -2.77 105.19 114.39 2k3a n GLY 66 Ca 0.12 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 2k3a n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3a n GLY 67 N -1.39 0.25 1.43 -0.02 0.00 -0.60 -4.81 105.19 100.04 2k3a n GLY 67 Ca -0.13 -0.22 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 2k3a n GLY 67 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k3a n ASN 68 N -0.97 3.38 -4.08 1.61 3.02 -1.12 -2.56 115.26 114.55 2k3a n ASN 68 Ca -0.18 -2.65 -0.23 0.00 -0.03 0.00 0.00 54.58 51.48 2k3a n ASN 68 Cb 0.61 -0.64 -0.09 0.00 -0.61 0.00 0.00 39.78 39.06 2k3a n ASN 68 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2k3a s ILE 69 N -1.75 0.57 -0.19 2.41 -4.36 -1.26 -4.58 121.20 112.04 2k3a s ILE 69 Ca 0.28 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.59 2k3a s ILE 69 Cb 0.23 -2.44 -0.04 0.00 1.25 0.00 0.00 42.46 41.46 2k3a s ILE 69 CO 0.07 0.00 0.08 -0.83 0.24 0.00 0.00 174.94 174.50 2k3a s GLY 70 N -3.53 1.93 0.59 6.27 0.00 -1.24 -0.15 107.32 111.18 2k3a s GLY 70 Ca 0.28 -0.76 0.34 0.00 0.00 0.00 0.00 44.72 44.58 2k3a s GLY 70 CO 0.16 0.11 2.21 1.76 0.00 0.00 0.00 173.10 177.34 2k3a h SER 71 N 6.80 0.00 0.02 1.64 0.02 -1.92 -2.49 113.55 117.63 2k3a h SER 71 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2k3a h SER 71 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2k3a h SER 71 CO 0.70 0.04 0.00 0.00 -1.14 0.00 0.00 176.83 176.43 2k3a h THR 72 N 0.00 0.00 -0.61 -2.27 1.03 -1.98 -2.24 112.91 106.84 2k3a h THR 72 Ca -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 66.41 66.39 2k3a h THR 72 Cb 0.15 0.59 -0.03 0.00 -1.07 0.00 0.00 68.15 67.79 2k3a h THR 72 CO 0.00 0.00 0.37 -0.50 -0.01 0.00 0.00 175.52 175.39 2k3a h TRP 73 N 0.00 0.78 0.00 0.00 4.06 -1.86 -3.47 115.95 115.47 2k3a h TRP 73 Ca 0.00 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.96 2k3a h TRP 73 Cb 0.01 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 27.91 2k3a h TRP 73 CO 0.00 0.51 0.00 0.41 -3.56 0.00 0.00 178.44 175.80 2k3a n GLY 74 N -1.37 3.49 3.77 1.49 0.00 -0.85 -4.38 105.19 107.35 2k3a n GLY 74 Ca 0.06 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2k3a n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k3a s ASN 75 N -4.00 6.01 0.62 1.61 0.01 -1.26 -4.87 114.94 113.06 2k3a s ASN 75 Ca 0.00 2.99 0.36 0.00 -0.71 0.00 0.00 52.86 55.49 2k3a s ASN 75 Cb 0.00 -2.66 2.05 0.00 0.41 0.00 0.00 41.25 41.05 2k3a s ASN 75 CO 0.00 -1.09 2.28 0.00 -1.51 0.00 0.00 177.10 176.78 2k3a h ALA 76 N 2.54 1.34 0.00 0.60 0.00 -1.79 0.43 119.26 122.37 2k3a h ALA 76 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2k3a h ALA 76 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2k3a h ALA 76 CO 0.62 -0.03 0.00 0.27 0.00 0.00 0.00 179.25 180.11 2k3a n ASN 77 N -3.52 0.22 -0.06 0.00 0.23 -1.10 -3.43 115.26 107.60 2k3a n ASN 77 Ca -0.03 0.54 -0.02 0.00 -0.53 0.00 0.00 54.58 54.54 2k3a n ASN 77 Cb 0.10 -0.59 -0.15 0.00 -2.08 0.00 0.00 39.78 37.06 2k3a n ASN 77 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k3a n ASN 78 N -1.72 0.39 -0.37 0.53 5.15 0.14 -4.74 115.26 114.63 2k3a n ASN 78 Ca 0.04 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.92 2k3a n ASN 78 Cb 0.26 1.32 -0.08 0.00 -0.53 0.00 0.00 39.78 40.75 2k3a n ASN 78 CO 0.00 0.00 0.00 -0.50 1.40 0.00 0.00 177.26 178.16 2k3a h TRP 79 N 0.00 -1.75 -0.75 1.20 4.06 -1.57 0.45 115.95 117.59 2k3a h TRP 79 Ca -0.32 0.12 0.05 0.00 2.06 0.00 0.00 58.89 60.80 2k3a h TRP 79 Cb 1.69 0.88 -0.05 0.00 -1.00 0.00 0.00 29.16 30.68 2k3a h TRP 79 CO 0.00 -0.39 0.46 0.00 -3.56 0.00 0.00 178.44 174.95 2k3a h ALA 80 N 0.53 1.01 -0.52 1.49 0.00 -1.85 0.08 119.26 120.00 2k3a h ALA 80 Ca 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2k3a h ALA 80 Cb 0.47 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2k3a h ALA 80 CO -0.88 0.21 0.18 0.77 0.00 0.00 0.00 179.25 179.52 2k3a h SER 81 N 0.87 0.74 -0.57 0.00 0.02 -1.43 -0.84 113.55 112.35 2k3a h SER 81 Ca 0.32 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2k3a h SER 81 Cb 0.10 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 2k3a h SER 81 CO -0.14 0.74 0.24 0.00 -1.14 0.00 0.00 176.83 176.52 2k3a h ALA 82 N 1.03 0.73 -0.22 3.77 0.00 -0.43 0.11 119.26 124.26 2k3a h ALA 82 Ca 0.17 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2k3a h ALA 82 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2k3a h ALA 82 CO -0.01 0.34 0.12 0.00 0.00 0.00 0.00 179.25 179.70 2k3a h ALA 83 N 1.08 0.27 -0.86 0.00 0.00 -0.85 0.17 119.26 119.07 2k3a h ALA 83 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2k3a h ALA 83 Cb 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2k3a h ALA 83 CO -0.02 -0.29 0.48 0.77 0.00 0.00 0.00 179.25 180.20 2k3a h SER 84 N 0.25 1.06 0.09 0.00 0.02 -0.88 0.15 113.55 114.24 2k3a h SER 84 Ca 0.09 -0.09 -0.19 0.00 -0.84 0.00 0.00 61.79 60.75 2k3a h SER 84 Cb 0.01 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.28 2k3a h SER 84 CO -0.05 0.84 -0.72 -1.28 -1.14 0.00 0.00 176.83 174.48 2k3a h SER 85 N 1.19 0.66 0.15 3.07 0.87 -0.54 -3.28 113.55 115.67 2k3a h SER 85 Ca 0.30 -0.42 -0.19 0.00 -1.23 0.00 0.00 61.79 60.25 2k3a h SER 85 Cb 0.01 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 2k3a h SER 85 CO -0.05 1.18 -0.71 0.00 -0.53 0.00 0.00 176.83 176.72 2k3a h ALA 86 N 0.81 0.56 0.00 6.23 0.00 -0.51 -3.48 119.26 122.88 2k3a h ALA 86 Ca -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2k3a h ALA 86 Cb 1.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2k3a h ALA 86 CO 0.13 0.74 0.00 0.41 0.00 0.00 0.00 179.25 180.53 2k3a n GLY 87 N 0.53 1.41 4.03 0.00 0.00 -0.62 -4.78 105.19 105.76 2k3a n GLY 87 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 2k3a n GLY 87 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k3a s TYR 88 N -1.53 1.27 -0.58 1.61 1.51 0.44 -4.31 117.35 115.76 2k3a s TYR 88 Ca 0.00 -0.77 -0.07 0.00 -1.01 0.00 0.00 57.07 55.23 2k3a s TYR 88 Cb 0.00 -2.18 0.15 0.00 -0.11 0.00 0.00 41.96 39.83 2k3a s TYR 88 CO 0.00 -1.20 0.43 0.99 -1.11 0.00 0.00 175.55 174.66 2k3a s THR 89 N -2.71 4.11 -0.40 -0.71 2.01 -0.83 -4.60 115.64 112.52 2k3a s THR 89 Ca 0.61 -2.41 -0.17 0.00 0.31 0.00 0.00 61.69 60.04 2k3a s THR 89 Cb -0.05 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.80 2k3a s THR 89 CO 0.39 -0.85 0.41 -0.69 -0.69 0.00 0.00 174.62 173.19 2k3a s VAL 90 N 0.56 5.11 0.41 3.82 1.01 -1.26 0.16 120.40 130.21 2k3a s VAL 90 Ca 0.13 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.92 2k3a s VAL 90 Cb -0.21 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 2k3a s VAL 90 CO -0.04 -0.32 0.11 0.20 0.00 0.00 0.00 175.10 175.05 2k3a s ASN 91 N 1.78 2.85 0.00 3.32 0.02 -0.17 -4.93 114.94 117.81 2k3a s ASN 91 Ca 0.12 -1.63 0.27 0.00 -1.02 0.00 0.00 52.86 50.61 2k3a s ASN 91 Cb -0.17 0.42 0.93 0.00 0.02 0.00 0.00 41.25 42.44 2k3a s ASN 91 CO 0.13 -0.87 1.67 0.59 0.02 0.00 0.00 177.10 178.63 2k3a n ASN 92 N -1.21 1.35 -4.65 -1.22 5.03 -1.26 -0.28 115.26 113.01 2k3a n ASN 92 Ca -0.07 -1.28 -0.47 0.00 0.87 0.00 0.00 54.58 53.63 2k3a n ASN 92 Cb 0.65 0.05 -0.05 0.00 -1.02 0.00 0.00 39.78 39.42 2k3a n ASN 92 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2k3a n SER 93 N -0.11 3.42 -0.52 6.41 2.88 -1.26 -4.83 113.62 119.60 2k3a n SER 93 Ca 0.16 0.85 0.03 0.00 -1.33 0.00 0.00 58.87 58.58 2k3a n SER 93 Cb 0.36 -1.40 0.11 0.00 -0.75 0.00 0.00 64.21 62.53 2k3a n SER 93 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2k3a n PRO 94 N 7.10 1.66 -1.74 -1.46 -0.04 -1.26 -4.71 135.00 134.55 2k3a n PRO 94 Ca 0.25 -0.87 -0.40 0.00 -0.04 0.00 0.00 63.50 62.44 2k3a n PRO 94 Cb 0.32 -1.28 0.02 0.00 -0.04 0.00 0.00 33.50 32.52 2k3a n PRO 94 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k3a n GLU 95 N 0.18 2.04 -0.64 0.54 4.07 -1.26 -4.78 120.64 120.80 2k3a n GLU 95 Ca 0.08 0.73 -0.30 0.00 -0.06 0.00 0.00 57.16 57.61 2k3a n GLU 95 Cb 0.26 -2.56 0.20 0.00 -0.06 0.00 0.00 31.44 29.28 2k3a n GLU 95 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k3a s ALA 96 N -1.22 0.75 0.00 4.31 0.00 -1.26 -3.76 121.76 120.58 2k3a s ALA 96 Ca 0.64 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2k3a s ALA 96 Cb -0.45 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2k3a s ALA 96 CO 0.56 -3.16 0.00 0.41 0.00 0.00 0.00 175.76 173.56 2k3a n GLY 97 N 0.42 0.45 3.47 0.00 0.00 -0.41 -5.03 105.19 104.09 2k3a n GLY 97 Ca 0.09 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 2k3a n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3a s SER 98 N -2.59 2.95 -0.15 1.61 0.01 -1.25 -4.79 113.70 109.50 2k3a s SER 98 Ca 0.00 -1.23 -0.01 0.00 1.31 0.00 0.00 55.95 56.01 2k3a s SER 98 Cb 0.00 -0.20 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 2k3a s SER 98 CO 0.00 -0.37 -0.10 -0.63 0.41 0.00 0.00 173.24 172.55 2k3a s ILE 99 N -2.97 3.23 -0.17 1.44 1.09 -1.05 -0.27 121.20 122.51 2k3a s ILE 99 Ca 0.31 -0.59 -0.08 0.00 -1.10 0.00 0.00 60.65 59.19 2k3a s ILE 99 Cb 0.05 -2.38 -0.04 0.00 -1.06 0.00 0.00 42.46 39.02 2k3a s ILE 99 CO 0.14 0.51 0.11 -1.48 -0.10 0.00 0.00 174.94 174.11 2k3a s LEU 100 N 0.49 4.13 -0.46 2.97 2.34 -0.68 -0.03 118.68 127.44 2k3a s LEU 100 Ca -0.08 0.25 -0.20 0.00 0.06 0.00 0.00 54.13 54.16 2k3a s LEU 100 Cb -0.15 -2.04 0.03 0.00 -0.56 0.00 0.00 46.19 43.47 2k3a s LEU 100 CO 0.04 0.25 0.62 -1.58 -1.06 0.00 0.00 176.35 174.62 2k3a s GLN 101 N -0.06 3.22 -0.04 1.48 0.74 0.56 -2.64 119.66 122.92 2k3a s GLN 101 Ca 0.09 -0.54 0.02 0.00 0.05 0.00 0.00 55.36 54.98 2k3a s GLN 101 Cb -0.12 -3.99 -0.25 0.00 1.10 0.00 0.00 33.01 29.75 2k3a s GLN 101 CO 0.00 -1.06 0.66 0.77 -0.55 0.00 0.00 175.29 175.12 2k3a h SER 102 N 8.90 0.25 -0.84 6.67 0.02 -0.75 -3.19 113.55 124.62 2k3a h SER 102 Ca -0.26 -0.45 -0.25 0.00 -0.84 0.00 0.00 61.79 59.99 2k3a h SER 102 Cb 1.10 -0.08 -0.10 0.00 0.14 0.00 0.00 62.40 63.46 2k3a h SER 102 CO 0.90 1.39 -0.22 0.35 -1.14 0.00 0.00 176.83 178.11 2k3a n THR 103 N -3.31 0.00 -2.30 -2.27 -2.24 -0.82 -4.80 114.28 98.53 2k3a n THR 103 Ca -0.20 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.24 2k3a n THR 103 Cb 1.04 -1.38 -0.04 0.00 -2.10 0.00 0.00 70.33 67.85 2k3a n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k3a s ALA 104 N -1.96 2.29 0.00 6.98 0.00 -1.26 -4.53 121.76 123.27 2k3a s ALA 104 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 49.86 2k3a s ALA 104 Cb 0.00 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.53 2k3a s ALA 104 CO 0.00 -4.27 0.00 0.41 0.00 0.00 0.00 175.76 171.90 2k3a n GLY 105 N 6.43 1.03 0.09 0.00 0.00 -1.26 -4.60 105.19 106.88 2k3a n GLY 105 Ca 0.40 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 2k3a n GLY 105 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k3a h GLY 106 N 0.00 0.18 2.00 -0.02 0.00 -2.05 -2.84 103.07 100.34 2k3a h GLY 106 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2k3a h GLY 106 CO 0.00 0.10 0.00 -0.97 0.00 0.00 0.00 176.54 175.67 2k3a h TYR 107 N -0.01 0.00 0.00 5.60 -1.99 -1.93 -3.48 116.97 115.16 2k3a h TYR 107 Ca 0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.77 2k3a h TYR 107 Cb 0.21 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.94 2k3a h TYR 107 CO -0.01 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.56 2k3a n GLY 108 N 0.96 -1.80 3.63 3.88 0.00 -1.07 -2.44 105.19 108.35 2k3a n GLY 108 Ca 0.04 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 2k3a n GLY 108 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k3a s HIS 109 N 0.00 -0.51 0.03 1.61 2.46 -1.26 -4.49 115.29 113.13 2k3a s HIS 109 Ca 0.00 1.21 -0.09 0.00 0.47 0.00 0.00 55.06 56.65 2k3a s HIS 109 Cb 0.00 0.36 0.00 0.00 -0.13 0.00 0.00 32.58 32.81 2k3a s HIS 109 CO 0.00 -0.27 0.18 0.14 -2.47 0.00 0.00 174.74 172.32 2k3a s VAL 110 N 0.08 0.10 0.10 0.89 -7.23 -1.26 0.01 120.40 113.10 2k3a s VAL 110 Ca 0.02 -0.83 -0.10 0.00 -1.81 0.00 0.00 61.98 59.26 2k3a s VAL 110 Cb -0.04 -0.77 0.00 0.00 0.56 0.00 0.00 36.38 36.13 2k3a s VAL 110 CO -0.04 -0.46 0.24 0.00 -0.31 0.00 0.00 175.10 174.53 2k3a s ALA 111 N -2.17 -0.33 -0.21 1.32 0.00 -1.08 -4.65 121.76 114.64 2k3a s ALA 111 Ca -0.08 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 2k3a s ALA 111 Cb -0.03 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.60 2k3a s ALA 111 CO -0.02 -0.55 0.20 -0.47 0.00 0.00 0.00 175.76 174.93 2k3a s TYR 112 N -3.86 3.38 -0.30 0.00 5.04 -1.25 -1.68 117.35 118.68 2k3a s TYR 112 Ca 0.06 0.38 -0.29 0.00 -2.44 0.00 0.00 57.07 54.78 2k3a s TYR 112 Cb 0.04 -2.27 0.01 0.00 0.35 0.00 0.00 41.96 40.09 2k3a s TYR 112 CO -0.10 0.17 1.18 0.08 -1.34 0.00 0.00 175.55 175.54 2k3a s VAL 113 N 0.73 4.34 -0.08 3.14 1.01 0.63 -0.42 120.40 129.75 2k3a s VAL 113 Ca 0.11 1.54 -0.06 0.00 0.00 0.00 0.00 61.98 63.56 2k3a s VAL 113 Cb -0.13 -4.27 -0.28 0.00 0.00 0.00 0.00 36.38 31.70 2k3a s VAL 113 CO 0.02 -0.45 0.54 -0.33 0.00 0.00 0.00 175.10 174.89 2k3a h GLU 114 N 8.58 0.29 -1.91 2.72 4.39 -1.30 -1.08 114.58 126.27 2k3a h GLU 114 Ca -0.23 -0.50 -0.02 0.00 0.34 0.00 0.00 59.36 58.95 2k3a h GLU 114 Cb 1.08 0.19 -0.21 0.00 -0.10 0.00 0.00 28.75 29.71 2k3a h GLU 114 CO 1.03 1.19 0.24 1.21 -1.16 0.00 0.00 179.01 181.52 2k3a s ASN 115 N -7.06 -0.63 0.08 1.42 2.47 -1.17 -4.70 114.94 105.35 2k3a s ASN 115 Ca -0.18 0.92 0.02 0.00 0.42 0.00 0.00 52.86 54.05 2k3a s ASN 115 Cb 0.06 0.83 -0.04 0.00 -1.45 0.00 0.00 41.25 40.66 2k3a s ASN 115 CO 0.81 -0.42 0.12 -0.69 -3.72 0.00 0.00 177.10 173.20 2k3a s VAL 116 N -0.55 4.76 0.39 -5.21 1.01 -1.26 -1.43 120.40 118.11 2k3a s VAL 116 Ca -0.05 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.32 2k3a s VAL 116 Cb -0.02 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 2k3a s VAL 116 CO 0.05 0.11 0.18 0.20 0.00 0.00 0.00 175.10 175.63 2k3a s ASN 117 N -2.48 4.50 0.41 3.32 0.01 -0.70 -5.00 114.94 115.00 2k3a s ASN 117 Ca 0.31 -0.99 0.10 0.00 -0.71 0.00 0.00 52.86 51.57 2k3a s ASN 117 Cb -0.12 -0.53 0.87 0.00 0.41 0.00 0.00 41.25 41.88 2k3a s ASN 117 CO 0.24 -0.49 1.97 -1.28 -1.51 0.00 0.00 177.10 176.03 2k3a h SER 118 N 1.45 0.20 0.37 -1.22 0.87 -2.01 -0.22 113.55 112.99 2k3a h SER 118 Ca -0.43 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2k3a h SER 118 Cb 1.25 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2k3a h SER 118 CO 0.68 0.31 0.00 0.47 -0.53 0.00 0.00 176.83 177.76 2k3a n ASP 119 N -4.33 0.31 0.00 6.23 9.92 -1.26 -4.83 116.55 122.59 2k3a n ASP 119 Ca -0.01 0.60 0.00 0.00 -0.53 0.00 0.00 54.79 54.86 2k3a n ASP 119 Cb 0.22 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 40.04 2k3a n ASP 119 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k3a n GLY 120 N -0.57 1.10 3.75 0.44 0.00 -0.09 -4.40 105.19 105.42 2k3a n GLY 120 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2k3a n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3a s SER 121 N -3.08 6.84 -0.25 1.61 0.01 -1.26 -3.91 113.70 113.65 2k3a s SER 121 Ca 0.00 2.51 -0.10 0.00 1.31 0.00 0.00 55.95 59.68 2k3a s SER 121 Cb 0.00 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 2k3a s SER 121 CO 0.00 -0.54 0.14 -0.69 0.41 0.00 0.00 173.24 172.56 2k3a s VAL 122 N -0.27 5.02 -0.44 3.43 1.01 0.78 -1.71 120.40 128.21 2k3a s VAL 122 Ca 0.55 0.07 -0.19 0.00 0.00 0.00 0.00 61.98 62.41 2k3a s VAL 122 Cb -0.38 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.67 2k3a s VAL 122 CO 0.43 0.31 0.53 -1.61 0.00 0.00 0.00 175.10 174.76 2k3a s GLU 123 N 1.44 3.14 0.07 2.72 2.02 -0.52 -0.51 118.70 127.07 2k3a s GLU 123 Ca 0.07 -0.70 0.03 0.00 0.02 0.00 0.00 54.97 54.38 2k3a s GLU 123 Cb -0.15 -4.00 -0.04 0.00 0.10 0.00 0.00 34.13 30.05 2k3a s GLU 123 CO 0.07 -0.97 0.06 0.14 0.02 0.00 0.00 175.26 174.57 2k3a s VAL 124 N 2.40 4.45 -0.43 2.63 -7.23 -0.31 -0.81 120.40 121.10 2k3a s VAL 124 Ca 0.15 -0.75 -0.17 0.00 -1.81 0.00 0.00 61.98 59.40 2k3a s VAL 124 Cb -0.17 -3.12 0.03 0.00 0.56 0.00 0.00 36.38 33.68 2k3a s VAL 124 CO 0.14 0.16 0.42 -0.55 -0.31 0.00 0.00 175.10 174.97 2k3a s SER 125 N -2.26 6.18 0.43 4.85 0.15 0.44 -1.14 113.70 122.36 2k3a s SER 125 Ca 0.28 -0.78 0.07 0.00 0.70 0.00 0.00 55.95 56.22 2k3a s SER 125 Cb -0.12 -2.21 -0.03 0.00 -1.71 0.00 0.00 66.02 61.95 2k3a s SER 125 CO 0.20 -0.58 0.30 -1.61 1.20 0.00 0.00 173.24 172.74 2k3a s GLU 126 N 2.05 2.37 -0.19 5.44 2.02 0.14 -3.78 118.70 126.76 2k3a s GLU 126 Ca 0.10 -1.73 -0.04 0.00 0.02 0.00 0.00 54.97 53.33 2k3a s GLU 126 Cb -0.18 -2.18 -0.02 0.00 0.10 0.00 0.00 34.13 31.86 2k3a s GLU 126 CO 0.12 -0.21 -0.03 1.41 0.02 0.00 0.00 175.26 176.57 2k3a s MET 127 N -4.05 3.52 -1.01 1.61 -2.45 -1.26 -0.52 119.30 115.13 2k3a s MET 127 Ca 0.43 -0.57 -0.23 0.00 -1.25 0.00 0.00 55.69 54.07 2k3a s MET 127 Cb -0.00 -2.98 0.04 0.00 1.25 0.00 0.00 34.83 33.13 2k3a s MET 127 CO 0.25 0.00 1.52 1.21 1.05 0.00 0.00 175.02 179.05 2k3a s ASN 128 N 0.99 6.35 0.00 1.11 2.47 0.10 -4.83 114.94 121.13 2k3a s ASN 128 Ca 0.01 -1.39 0.00 0.00 0.42 0.00 0.00 52.86 51.90 2k3a s ASN 128 Cb -0.15 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 2k3a s ASN 128 CO 0.01 -1.65 0.64 0.00 -3.72 0.00 0.00 177.10 172.38 2k3a n TYR 129 N 9.48 0.00 -3.11 0.43 4.11 -1.26 -4.23 117.16 122.58 2k3a n TYR 129 Ca 0.34 0.00 -0.45 0.00 -0.00 0.00 0.00 57.90 57.79 2k3a n TYR 129 Cb 0.50 -0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.83 2k3a n TYR 129 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 2k3a s ASN 130 N -1.32 6.93 -0.65 9.48 2.47 -1.26 -4.59 114.94 126.01 2k3a s ASN 130 Ca 0.00 -2.79 -0.04 0.00 0.42 0.00 0.00 52.86 50.46 2k3a s ASN 130 Cb 0.00 -2.32 -0.04 0.00 -1.45 0.00 0.00 41.25 37.44 2k3a s ASN 130 CO 0.00 -0.70 0.57 0.61 -3.72 0.00 0.00 177.10 173.85 2k3a n GLY 131 N 4.18 -0.38 0.00 1.21 0.00 -1.26 -5.03 105.19 103.91 2k3a n GLY 131 Ca 0.25 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2k3a n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3a n GLY 132 N -1.34 -0.62 0.10 -0.02 0.00 -1.26 -4.94 105.19 97.11 2k3a n GLY 132 Ca -0.04 0.74 0.08 0.00 0.00 0.00 0.00 46.02 46.80 2k3a n GLY 132 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k3a n PRO 133 N 0.00 0.11 -0.00 1.61 -0.04 -1.26 -1.50 135.00 133.91 2k3a n PRO 133 Ca 0.00 0.52 0.01 0.00 -0.04 0.00 0.00 63.50 63.99 2k3a n PRO 133 Cb 0.00 -1.80 0.01 0.00 -0.04 0.00 0.00 33.50 31.67 2k3a n PRO 133 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2k3a n PHE 134 N -2.02 0.01 -2.20 0.54 3.72 -1.26 -4.98 117.46 111.27 2k3a n PHE 134 Ca 0.00 -0.08 -0.42 0.00 -0.05 0.00 0.00 57.45 56.90 2k3a n PHE 134 Cb 0.08 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 2k3a n PHE 134 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2k3a s SER 135 N -0.25 6.82 0.05 4.37 0.15 -0.56 -4.98 113.70 119.30 2k3a s SER 135 Ca 0.02 2.10 0.03 0.00 0.70 0.00 0.00 55.95 58.80 2k3a s SER 135 Cb 0.01 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 2k3a s SER 135 CO 0.02 -0.76 0.00 -0.69 1.20 0.00 0.00 173.24 173.01 2k3a s VAL 136 N 2.79 4.09 -0.10 4.45 1.01 -1.26 0.01 120.40 131.38 2k3a s VAL 136 Ca 0.65 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 2k3a s VAL 136 Cb -0.31 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.20 2k3a s VAL 136 CO 0.26 0.24 -0.06 -0.55 0.00 0.00 0.00 175.10 174.98 2k3a s SER 137 N -1.97 2.04 -0.38 3.32 0.15 0.32 -4.68 113.70 112.49 2k3a s SER 137 Ca 0.23 -0.25 -0.19 0.00 0.70 0.00 0.00 55.95 56.44 2k3a s SER 137 Cb -0.12 -0.75 0.01 0.00 -1.71 0.00 0.00 66.02 63.45 2k3a s SER 137 CO 0.15 -0.13 0.57 -1.61 1.20 0.00 0.00 173.24 173.42 2k3a s GLU 138 N 1.75 3.51 -0.29 5.44 8.01 -1.26 -0.68 118.70 135.18 2k3a s GLU 138 Ca 0.05 -0.20 -0.12 0.00 0.01 0.00 0.00 54.97 54.71 2k3a s GLU 138 Cb -0.13 -3.86 -0.04 0.00 -4.31 0.00 0.00 34.13 25.79 2k3a s GLU 138 CO -0.07 -0.78 0.21 0.50 0.01 0.00 0.00 175.26 175.13 2k3a s ARG 139 N 2.57 3.90 -0.75 1.61 3.52 -0.29 -4.90 118.95 124.61 2k3a s ARG 139 Ca 0.21 -0.33 -0.17 0.00 -0.13 0.00 0.00 55.73 55.30 2k3a s ARG 139 Cb -0.15 -3.68 0.15 0.00 -1.56 0.00 0.00 34.95 29.71 2k3a s ARG 139 CO 0.15 -0.22 0.81 0.99 -0.81 0.00 0.00 175.30 176.22 2k3a s THR 140 N 1.78 5.09 0.01 4.11 2.01 -1.26 -1.16 115.64 126.22 2k3a s THR 140 Ca 0.08 -1.66 -0.27 0.00 0.31 0.00 0.00 61.69 60.15 2k3a s THR 140 Cb -0.16 -4.54 -0.04 0.00 0.01 0.00 0.00 72.50 67.76 2k3a s THR 140 CO 0.11 -1.17 0.84 -0.63 -0.69 0.00 0.00 174.62 173.08 2k3a s ILE 141 N 1.77 4.84 0.62 1.82 1.01 0.33 -4.85 121.20 126.75 2k3a s ILE 141 Ca 0.18 1.76 -0.18 0.00 0.00 0.00 0.00 60.65 62.41 2k3a s ILE 141 Cb -0.15 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.11 2k3a s ILE 141 CO -0.03 0.26 1.25 -0.44 0.00 0.00 0.00 174.94 175.99 2k3a s SER 142 N 0.53 4.86 0.18 3.58 0.01 -1.26 -0.16 113.70 121.44 2k3a s SER 142 Ca 0.43 2.51 -0.17 0.00 1.31 0.00 0.00 55.95 60.03 2k3a s SER 142 Cb -0.20 -2.61 0.14 0.00 0.21 0.00 0.00 66.02 63.55 2k3a s SER 142 CO 0.24 -1.82 1.64 0.00 0.41 0.00 0.00 173.24 173.70 2k3a h ALA 143 N 0.68 0.21 -0.17 1.44 0.00 -1.77 0.27 119.26 119.92 2k3a h ALA 143 Ca -0.51 0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.61 2k3a h ALA 143 Cb 1.32 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 2k3a h ALA 143 CO 0.54 -0.51 -0.01 0.78 0.00 0.00 0.00 179.25 180.05 2k3a h GLY 144 N -0.07 0.15 1.24 0.00 0.00 -1.91 -0.85 103.07 101.64 2k3a h GLY 144 Ca 0.23 0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.46 2k3a h GLY 144 CO -0.52 -0.04 -0.24 -2.09 0.00 0.00 0.00 176.54 173.65 2k3a h GLU 145 N 0.04 0.86 -0.68 4.80 4.81 -1.80 -3.15 114.58 119.47 2k3a h GLU 145 Ca 0.08 -0.37 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 2k3a h GLU 145 Cb 0.11 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2k3a h GLU 145 CO -0.15 1.01 0.21 0.00 -0.73 0.00 0.00 179.01 179.35 2k3a h ALA 146 N 0.98 1.10 0.00 2.92 0.00 -0.21 -2.54 119.26 121.51 2k3a h ALA 146 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k3a h ALA 146 Cb 0.78 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k3a h ALA 146 CO 0.06 0.62 0.00 0.45 0.00 0.00 0.00 179.25 180.38 2k3a n SER 147 N -4.27 0.26 0.08 0.00 2.88 -0.35 -1.11 113.62 111.12 2k3a n SER 147 Ca 0.05 0.61 0.13 0.00 -1.33 0.00 0.00 58.87 58.34 2k3a n SER 147 Cb 0.22 -0.65 0.38 0.00 -0.75 0.00 0.00 64.21 63.41 2k3a n SER 147 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2k3a n SER 148 N -1.84 0.67 -4.91 -3.46 2.88 -0.96 -4.89 113.62 101.11 2k3a n SER 148 Ca -0.00 0.45 -0.30 0.00 -1.33 0.00 0.00 58.87 57.68 2k3a n SER 148 Cb 0.04 -0.53 -0.04 0.00 -0.75 0.00 0.00 64.21 62.93 2k3a n SER 148 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2k3a s TYR 149 N -3.10 3.49 -0.34 0.66 2.02 -0.27 -5.04 117.35 114.77 2k3a s TYR 149 Ca 0.10 0.41 -0.21 0.00 -0.37 0.00 0.00 57.07 57.01 2k3a s TYR 149 Cb 0.14 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 2k3a s TYR 149 CO 0.62 0.46 0.67 -0.80 -1.57 0.00 0.00 175.55 174.92 2k3a s ASN 150 N -2.67 6.48 -0.39 2.29 0.01 -1.21 -4.72 114.94 114.74 2k3a s ASN 150 Ca 0.39 0.29 -0.18 0.00 -0.71 0.00 0.00 52.86 52.65 2k3a s ASN 150 Cb -0.12 -2.34 0.01 0.00 0.41 0.00 0.00 41.25 39.21 2k3a s ASN 150 CO 0.27 -0.59 0.49 -0.31 -1.51 0.00 0.00 177.10 175.45 2k3a s TYR 151 N 2.76 3.15 -0.19 2.20 1.51 0.61 -0.32 117.35 127.07 2k3a s TYR 151 Ca 0.26 -0.11 -0.29 0.00 -1.01 0.00 0.00 57.07 55.92 2k3a s TYR 151 Cb -0.14 -2.97 0.00 0.00 -0.11 0.00 0.00 41.96 38.74 2k3a s TYR 151 CO 0.14 -0.66 1.06 0.42 -1.11 0.00 0.00 175.55 175.40 2k3a s ILE 152 N 2.34 4.64 -0.09 2.71 1.09 0.95 -0.99 121.20 131.85 2k3a s ILE 152 Ca 0.16 1.97 0.01 0.00 -1.10 0.00 0.00 60.65 61.69 2k3a s ILE 152 Cb -0.16 -4.27 -0.02 0.00 -1.06 0.00 0.00 42.46 36.95 2k3a s ILE 152 CO 0.14 -0.13 -0.11 -1.00 -0.10 0.00 0.00 174.94 173.74 2k3a s HIS 153 N 2.96 2.83 -0.07 3.97 3.76 0.12 -2.54 115.29 126.33 2k3a s HIS 153 Ca 0.46 -0.26 -0.24 0.00 -0.15 0.00 0.00 55.06 54.87 2k3a s HIS 153 Cb -0.17 -1.75 -0.03 0.00 1.11 0.00 0.00 32.58 31.74 2k3a s HIS 153 CO 0.10 0.09 0.73 -0.51 -0.85 0.00 0.00 174.74 174.30 2k3a s LEU 154 N -0.33 4.31 0.00 0.89 1.43 -1.26 -1.96 118.68 121.75 2k3a s LEU 154 Ca 0.04 1.22 0.09 0.00 -1.03 0.00 0.00 54.13 54.45 2k3a s LEU 154 Cb -0.13 -3.13 0.07 0.00 0.03 0.00 0.00 46.19 43.04 2k3a s LEU 154 CO 0.02 -0.15 0.80 -0.46 0.23 0.00 0.00 176.35 176.79