#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3a n LYS 2 N 0.00 -2.52 -4.09 3.17 4.01 -1.26 -5.05 118.16 112.42 2k3a n LYS 2 Ca 0.00 2.15 -0.25 0.00 -0.51 0.00 0.00 58.31 59.70 2k3a n LYS 2 Cb 0.00 -4.83 -0.17 0.00 -0.51 0.00 0.00 35.03 29.52 2k3a n LYS 2 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2k3a s LYS 3 N -2.19 1.36 0.01 1.97 -0.14 -1.26 -5.15 119.74 114.34 2k3a s LYS 3 Ca 0.18 -0.23 0.06 0.00 -1.36 0.00 0.00 55.97 54.62 2k3a s LYS 3 Cb -0.04 -1.36 -0.02 0.00 -1.68 0.00 0.00 37.83 34.73 2k3a s LYS 3 CO 0.74 -0.17 -0.18 -0.48 -0.76 0.00 0.00 175.35 174.49 2k3a s LEU 4 N 1.38 2.09 -0.17 3.17 -0.00 -1.26 -5.05 118.68 118.84 2k3a s LEU 4 Ca -0.02 -0.40 -0.08 0.00 -0.00 0.00 0.00 54.13 53.63 2k3a s LEU 4 Cb -0.14 -0.91 -0.23 0.00 -0.00 0.00 0.00 46.19 44.92 2k3a s LEU 4 CO -0.04 0.18 0.20 0.52 -0.00 0.00 0.00 176.35 177.21 2k3a n VAL 5 N 2.31 1.68 0.00 1.48 0.31 -1.26 -4.98 118.33 117.88 2k3a n VAL 5 Ca -0.16 -0.52 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 2k3a n VAL 5 Cb 0.54 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 2k3a n VAL 5 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2k3a n THR 6 N -3.65 0.00 -2.12 2.52 -1.04 -1.26 -4.84 114.28 103.89 2k3a n THR 6 Ca -0.36 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.32 2k3a n THR 6 Cb 0.97 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.44 2k3a n THR 6 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k3a s ALA 7 N 0.00 2.01 -0.17 2.41 0.00 -1.26 -4.96 121.76 119.78 2k3a s ALA 7 Ca 0.00 -1.24 -0.22 0.00 0.00 0.00 0.00 51.96 50.50 2k3a s ALA 7 Cb 0.00 -4.44 -0.02 0.00 0.00 0.00 0.00 23.12 18.65 2k3a s ALA 7 CO 0.00 -4.28 0.68 0.95 0.00 0.00 0.00 175.76 173.11 2k3a s THR 8 N 9.01 5.00 -0.44 0.00 -4.23 -1.26 -5.00 115.64 118.72 2k3a s THR 8 Ca 0.65 1.31 -0.27 0.00 -1.18 0.00 0.00 61.69 62.20 2k3a s THR 8 Cb -0.08 -4.00 -0.05 0.00 1.34 0.00 0.00 72.50 69.71 2k3a s THR 8 CO 0.08 0.12 2.24 -0.89 -0.54 0.00 0.00 174.62 175.62 2k3a s THR 9 N 1.79 3.10 0.59 3.99 2.01 -1.26 -4.96 115.64 120.89 2k3a s THR 9 Ca 0.32 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.43 2k3a s THR 9 Cb -0.16 -3.20 0.07 0.00 0.01 0.00 0.00 72.50 69.22 2k3a s THR 9 CO 0.12 -0.18 0.81 -1.48 -0.69 0.00 0.00 174.62 173.20 2k3a s LEU 10 N 10.53 3.20 -0.04 4.42 0.05 -1.26 -5.13 118.68 130.45 2k3a s LEU 10 Ca 0.92 -0.43 0.00 0.00 0.05 0.00 0.00 54.13 54.68 2k3a s LEU 10 Cb -0.20 -2.20 0.03 0.00 -2.05 0.00 0.00 46.19 41.76 2k3a s LEU 10 CO 0.28 -1.36 -0.01 -0.89 -0.55 0.00 0.00 176.35 173.81 2k3a s THR 11 N -2.78 0.31 -0.02 5.48 2.01 -1.26 -5.15 115.64 114.23 2k3a s THR 11 Ca 0.61 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.61 2k3a s THR 11 Cb -0.07 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.04 2k3a s THR 11 CO 0.39 0.19 0.08 0.00 -0.69 0.00 0.00 174.62 174.59 2k3a s ALA 12 N 1.14 -0.19 0.00 7.40 0.00 -1.26 -5.08 121.76 123.77 2k3a s ALA 12 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.93 2k3a s ALA 12 Cb -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.93 2k3a s ALA 12 CO -0.02 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2k3a n GLY 13 N 2.51 -0.38 1.91 0.00 0.00 -1.26 -5.03 105.19 102.94 2k3a n GLY 13 Ca -0.16 0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 2k3a n GLY 13 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k3a n ILE 14 N 0.00 -0.08 -3.27 -0.61 -5.35 -1.26 -4.88 119.36 103.91 2k3a n ILE 14 Ca 0.00 0.00 -0.46 0.00 -0.27 0.00 0.00 62.75 62.02 2k3a n ILE 14 Cb 0.00 -0.36 -0.04 0.00 -1.74 0.00 0.00 39.64 37.50 2k3a n ILE 14 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2k3a s GLY 15 N -1.66 2.12 -0.27 3.28 0.00 -1.26 -5.00 107.32 104.52 2k3a s GLY 15 Ca 0.00 -2.61 -0.21 0.00 0.00 0.00 0.00 44.72 41.90 2k3a s GLY 15 CO 0.00 1.30 0.72 0.00 0.00 0.00 0.00 173.10 175.11 2k3a s ALA 16 N 1.59 -1.83 -0.12 3.20 0.00 -1.26 -5.18 121.76 118.17 2k3a s ALA 16 Ca 0.07 2.19 -0.30 0.00 0.00 0.00 0.00 51.96 53.93 2k3a s ALA 16 Cb -0.25 -1.29 0.08 0.00 0.00 0.00 0.00 23.12 21.66 2k3a s ALA 16 CO 0.01 -0.35 0.77 0.00 0.00 0.00 0.00 175.76 176.19 2k3a s ALA 17 N 0.89 -1.82 0.05 0.00 0.00 -1.26 -5.18 121.76 114.45 2k3a s ALA 17 Ca -0.04 1.51 0.03 0.00 0.00 0.00 0.00 51.96 53.47 2k3a s ALA 17 Cb -0.05 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 2k3a s ALA 17 CO -0.08 -0.35 -0.10 0.96 0.00 0.00 0.00 175.76 176.19 2k3a s ILE 18 N -0.85 0.77 0.12 0.00 -4.36 -1.26 -5.17 121.20 110.44 2k3a s ILE 18 Ca -0.07 -1.18 -0.01 0.00 -0.26 0.00 0.00 60.65 59.14 2k3a s ILE 18 Cb -0.01 -0.80 -0.04 0.00 1.25 0.00 0.00 42.46 42.85 2k3a s ILE 18 CO 0.06 -0.33 0.03 0.68 0.24 0.00 0.00 174.94 175.62 2k3a s VAL 19 N -1.37 0.21 0.08 8.37 -7.23 -1.26 -5.18 120.40 114.02 2k3a s VAL 19 Ca -0.07 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.25 2k3a s VAL 19 Cb -0.10 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 2k3a s VAL 19 CO 0.01 -0.61 -0.12 -0.83 -0.31 0.00 0.00 175.10 173.25 2k3a s GLY 20 N -3.03 0.82 -0.27 2.32 0.00 -1.26 -5.14 107.32 100.75 2k3a s GLY 20 Ca 0.20 -1.04 -0.10 0.00 0.00 0.00 0.00 44.72 43.79 2k3a s GLY 20 CO -0.01 -1.08 0.14 1.08 0.00 0.00 0.00 173.10 173.23 2k3a s LEU 21 N -1.96 3.82 0.43 0.66 1.43 -1.26 -5.09 118.68 116.71 2k3a s LEU 21 Ca -0.00 -0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 52.86 2k3a s LEU 21 Cb -0.08 -2.04 -0.06 0.00 0.03 0.00 0.00 46.19 44.05 2k3a s LEU 21 CO 0.01 -0.06 0.80 -1.81 0.23 0.00 0.00 176.35 175.52 2k3a s ASP 22 N 1.69 6.48 -0.01 2.29 1.01 -1.26 -5.11 116.67 121.77 2k3a s ASP 22 Ca 0.07 1.15 -0.13 0.00 0.71 0.00 0.00 52.55 54.34 2k3a s ASP 22 Cb -0.16 -2.33 0.02 0.00 1.01 0.00 0.00 42.92 41.46 2k3a s ASP 22 CO 0.08 -0.46 0.28 -2.28 0.21 0.00 0.00 175.17 173.00 2k3a s HIS 23 N -2.47 -0.15 0.00 4.23 5.65 -1.26 -5.16 115.29 116.14 2k3a s HIS 23 Ca 0.51 0.22 0.00 0.00 0.25 0.00 0.00 55.06 56.04 2k3a s HIS 23 Cb -0.10 0.07 0.00 0.00 -1.18 0.00 0.00 32.58 31.37 2k3a s HIS 23 CO 0.34 -0.36 0.00 0.41 -0.65 0.00 0.00 174.74 174.48 2k3a n GLY 24 N 1.36 3.21 2.00 1.59 0.00 -1.26 -5.20 105.19 106.89 2k3a n GLY 24 Ca -0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.10 0.00 1.61 6.94 -1.26 -5.15 115.26 116.29 2k3a n ASN 25 Ca 0.00 -1.70 0.00 0.00 -0.02 0.00 0.00 54.58 52.86 2k3a n ASN 25 Cb 0.00 1.82 0.00 0.00 -2.36 0.00 0.00 39.78 39.24 2k3a n ASN 25 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2k3a n GLU 26 N -0.32 0.00 -3.01 -3.83 2.13 -1.26 -5.05 120.64 109.30 2k3a n GLU 26 Ca -0.03 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.63 2k3a n GLU 26 Cb 0.31 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.03 2k3a n GLU 26 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k3a n ALA 27 N -3.00 0.93 1.61 4.31 0.00 -1.26 -4.99 120.51 118.12 2k3a n ALA 27 Ca 0.00 -2.64 0.01 0.00 0.00 0.00 0.00 53.44 50.81 2k3a n ALA 27 Cb 0.00 -1.02 0.07 0.00 0.00 0.00 0.00 19.45 18.50 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 0.66 0.00 -4.68 0.00 9.92 -1.26 -4.79 116.55 116.40 2k3a n ASP 28 Ca 0.17 -1.54 -0.42 0.00 -0.53 0.00 0.00 54.79 52.47 2k3a n ASP 28 Cb 0.64 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.10 2k3a n ASP 28 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k3a s ALA 29 N -2.00 3.58 -0.88 2.24 0.00 -1.26 -4.94 121.76 118.50 2k3a s ALA 29 Ca 0.03 0.72 -0.25 0.00 0.00 0.00 0.00 51.96 52.47 2k3a s ALA 29 Cb 0.02 -3.60 -0.00 0.00 0.00 0.00 0.00 23.12 19.53 2k3a s ALA 29 CO 0.03 -0.99 1.69 0.00 0.00 0.00 0.00 175.76 176.48 2k3a s ALA 30 N 2.80 2.22 -1.14 0.00 0.00 -1.26 -4.92 121.76 119.46 2k3a s ALA 30 Ca 0.61 -1.61 -0.16 0.00 0.00 0.00 0.00 51.96 50.80 2k3a s ALA 30 Cb -0.28 -4.47 0.14 0.00 0.00 0.00 0.00 23.12 18.51 2k3a s ALA 30 CO 0.23 -4.10 1.39 -1.21 0.00 0.00 0.00 175.76 172.07 2k3a s GLU 31 N 6.19 3.94 0.00 0.00 0.41 -1.26 -4.76 118.70 123.22 2k3a s GLU 31 Ca 0.57 -2.25 0.21 0.00 -0.41 0.00 0.00 54.97 53.10 2k3a s GLU 31 Cb -0.06 -5.09 0.95 0.00 -1.78 0.00 0.00 34.13 28.15 2k3a s GLU 31 CO 0.01 -1.84 1.65 0.94 -0.49 0.00 0.00 175.26 175.53 2k3a n GLN 32 N 6.32 1.45 -3.56 1.61 7.27 -1.26 -4.90 117.38 124.30 2k3a n GLN 32 Ca 0.35 -0.67 -0.26 0.00 0.07 0.00 0.00 57.00 56.49 2k3a n GLN 32 Cb 0.45 -1.37 -0.03 0.00 2.41 0.00 0.00 30.24 31.70 2k3a n GLN 32 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2k3a s THR 33 N -1.89 5.15 -0.29 1.69 -1.32 -1.26 -5.10 115.64 112.62 2k3a s THR 33 Ca 0.32 -0.36 0.02 0.00 -1.21 0.00 0.00 61.69 60.46 2k3a s THR 33 Cb 0.16 -3.78 0.20 0.00 -1.51 0.00 0.00 72.50 67.57 2k3a s THR 33 CO 0.26 -0.32 0.70 -1.58 -2.21 0.00 0.00 174.62 171.47 2k3a s GLN 34 N -3.69 0.46 -0.58 7.08 2.00 -1.26 -5.13 119.66 118.54 2k3a s GLN 34 Ca 0.40 0.46 -0.27 0.00 -2.00 0.00 0.00 55.36 53.94 2k3a s GLN 34 Cb -0.10 0.21 0.03 0.00 0.80 0.00 0.00 33.01 33.95 2k3a s GLN 34 CO 0.31 -0.85 1.12 -1.25 -0.50 0.00 0.00 175.29 174.12 2k3a s PRO 35 N 2.86 3.44 0.00 1.67 0.04 -1.26 -4.87 135.00 136.89 2k3a s PRO 35 Ca 0.14 0.07 0.27 0.00 0.04 0.00 0.00 61.00 61.52 2k3a s PRO 35 Cb -0.08 -4.03 0.84 0.00 0.04 0.00 0.00 34.50 31.27 2k3a s PRO 35 CO -0.25 -1.65 1.64 -2.37 0.04 0.00 0.00 177.00 174.41 2k3a n THR 36 N 6.51 0.00 -2.30 1.26 5.66 -1.26 -4.90 114.28 119.25 2k3a n THR 36 Ca 0.06 -0.03 -0.40 0.00 -3.05 0.00 0.00 64.05 60.64 2k3a n THR 36 Cb 0.49 0.03 -0.03 0.00 -1.55 0.00 0.00 70.33 69.27 2k3a n THR 36 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2k3a s ASN 37 N -2.83 6.85 0.00 1.09 -0.87 -1.26 -4.96 114.94 112.97 2k3a s ASN 37 Ca 0.17 2.42 0.24 0.00 -1.57 0.00 0.00 52.86 54.12 2k3a s ASN 37 Cb 0.19 -2.63 0.19 0.00 -0.02 0.00 0.00 41.25 38.98 2k3a s ASN 37 CO 0.59 -0.45 1.24 0.00 -2.57 0.00 0.00 177.10 175.92 2k3a n GLN 38 N 0.67 1.85 -1.98 -0.60 0.00 -1.26 -4.76 117.38 111.30 2k3a n GLN 38 Ca 0.01 -1.50 -0.26 0.00 0.00 0.00 0.00 57.00 55.25 2k3a n GLN 38 Cb 0.44 -1.47 -0.05 0.00 0.00 0.00 0.00 30.24 29.16 2k3a n GLN 38 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2k3a s SER 39 N -2.18 4.97 -0.35 2.61 1.04 -1.26 -4.05 113.70 114.48 2k3a s SER 39 Ca 0.25 -0.50 -0.08 0.00 0.48 0.00 0.00 55.95 56.10 2k3a s SER 39 Cb 0.19 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.77 2k3a s SER 39 CO 0.40 -2.88 0.32 0.41 0.98 0.00 0.00 173.24 172.47 2k3a n THR 40 N 7.97-10.77 -3.30 2.02 -1.04 -1.26 -4.99 114.28 102.90 2k3a n THR 40 Ca 0.40 1.20 -0.38 0.00 -2.04 0.00 0.00 64.05 63.23 2k3a n THR 40 Cb 0.47 -6.91 -0.07 0.00 -1.82 0.00 0.00 70.33 62.01 2k3a n THR 40 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2k3a s THR 41 N -2.06 5.16 0.04 12.58 -4.23 -1.26 -4.99 115.64 120.87 2k3a s THR 41 Ca 0.13 0.91 -0.23 0.00 -1.18 0.00 0.00 61.69 61.32 2k3a s THR 41 Cb -0.04 -3.81 -0.15 0.00 1.34 0.00 0.00 72.50 69.84 2k3a s THR 41 CO 0.71 0.25 1.47 -0.61 -0.54 0.00 0.00 174.62 175.91 2k3a h GLN 42 N 7.13 0.13 -5.62 3.99 4.15 -1.96 -3.37 115.11 119.56 2k3a h GLN 42 Ca -0.37 -0.04 -0.32 0.00 0.77 0.00 0.00 58.65 58.68 2k3a h GLN 42 Cb 1.17 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.80 2k3a h GLN 42 CO 0.74 0.39 0.92 0.45 -1.93 0.00 0.00 178.83 179.40 2k3a s SER 43 N -5.63 5.16 -0.24 -0.69 0.15 -1.26 -4.94 113.70 106.25 2k3a s SER 43 Ca -0.14 -1.14 -0.19 0.00 0.70 0.00 0.00 55.95 55.17 2k3a s SER 43 Cb 0.05 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 2k3a s SER 43 CO 0.69 -2.83 0.58 -0.89 1.20 0.00 0.00 173.24 171.99 2k3a s THR 44 N 10.25 5.03 0.35 6.45 2.01 -1.26 -5.05 115.64 133.42 2k3a s THR 44 Ca 0.68 1.04 -0.28 0.00 0.31 0.00 0.00 61.69 63.44 2k3a s THR 44 Cb -0.04 -3.89 -0.10 0.00 0.01 0.00 0.00 72.50 68.48 2k3a s THR 44 CO 0.05 0.08 1.31 -0.94 -0.69 0.00 0.00 174.62 174.44 2k3a s SER 45 N 1.39 6.68 -1.42 3.53 1.04 -1.26 -4.90 113.70 118.76 2k3a s SER 45 Ca 0.25 2.70 -0.10 0.00 0.48 0.00 0.00 55.95 59.28 2k3a s SER 45 Cb -0.16 -2.65 -0.07 0.00 0.10 0.00 0.00 66.02 63.24 2k3a s SER 45 CO 0.09 -0.60 2.68 0.61 0.98 0.00 0.00 173.24 176.99 2k3a n GLY 46 N 0.75 3.95 3.55 7.32 0.00 -1.26 -4.89 105.19 114.62 2k3a n GLY 46 Ca 0.01 -1.35 -0.40 0.00 0.00 0.00 0.00 46.02 44.28 2k3a n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3a s SER 47 N 2.63 6.15 -0.35 1.61 0.01 -1.26 -4.98 113.70 117.51 2k3a s SER 47 Ca 0.60 -0.65 -0.08 0.00 1.31 0.00 0.00 55.95 57.13 2k3a s SER 47 Cb 0.16 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.86 2k3a s SER 47 CO -0.05 -1.82 0.13 -0.55 0.41 0.00 0.00 173.24 171.36 2k3a s SER 48 N 4.51 5.44 -0.17 2.44 0.15 -1.26 -5.06 113.70 119.75 2k3a s SER 48 Ca 0.41 -1.08 -0.12 0.00 0.70 0.00 0.00 55.95 55.85 2k3a s SER 48 Cb -0.06 -1.92 0.05 0.00 -1.71 0.00 0.00 66.02 62.38 2k3a s SER 48 CO 0.09 -0.34 0.42 0.00 1.20 0.00 0.00 173.24 174.61 2k3a s ALA 49 N 1.45 -1.07 -0.67 5.45 0.00 -1.26 -5.11 121.76 120.56 2k3a s ALA 49 Ca -0.00 1.37 -0.26 0.00 0.00 0.00 0.00 51.96 53.06 2k3a s ALA 49 Cb -0.19 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 2k3a s ALA 49 CO 0.04 -0.23 1.75 1.21 0.00 0.00 0.00 175.76 178.53 2k3a s ASN 50 N 0.76 5.46 -0.03 0.00 3.84 -1.26 -4.84 114.94 118.87 2k3a s ASN 50 Ca -0.04 0.05 0.02 0.00 0.21 0.00 0.00 52.86 53.10 2k3a s ASN 50 Cb -0.05 -2.54 0.12 0.00 -0.55 0.00 0.00 41.25 38.22 2k3a s ASN 50 CO -0.06 -2.29 0.73 0.18 -2.79 0.00 0.00 177.10 172.88 2k3a n LEU 51 N 12.14 1.55 0.00 3.21 4.77 -1.26 -4.82 117.00 132.59 2k3a n LEU 51 Ca 0.19 -0.78 -0.12 0.00 -0.03 0.00 0.00 56.01 55.27 2k3a n LEU 51 Cb 0.51 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2k3a n LEU 51 CO 0.70 0.28 0.06 -1.22 -1.33 0.00 0.00 177.39 175.88 2k3a n TYR 52 N 0.06 -1.33 -4.19 -1.77 4.02 -1.26 -5.01 117.16 107.67 2k3a n TYR 52 Ca 0.04 -1.11 -0.34 0.00 -0.01 0.00 0.00 57.90 56.48 2k3a n TYR 52 Cb 0.35 -0.23 -0.08 0.00 -0.02 0.00 0.00 39.34 39.37 2k3a n TYR 52 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2k3a s THR 53 N -1.23 4.56 0.30 -0.72 -1.32 -1.26 -5.03 115.64 110.94 2k3a s THR 53 Ca 0.18 -0.35 -0.29 0.00 -1.21 0.00 0.00 61.69 60.02 2k3a s THR 53 Cb -0.01 -3.02 -0.09 0.00 -1.51 0.00 0.00 72.50 67.86 2k3a s THR 53 CO 0.11 0.45 1.10 0.00 -2.21 0.00 0.00 174.62 174.07 2k3a s ALA 54 N -1.07 3.37 0.00 11.08 0.00 -1.26 -3.53 121.76 130.35 2k3a s ALA 54 Ca 0.19 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2k3a s ALA 54 Cb -0.12 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2k3a s ALA 54 CO 0.09 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2k3a n GLY 55 N 1.09 2.88 3.95 0.00 0.00 -1.26 -5.08 105.19 106.77 2k3a n GLY 55 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.77 3.38 0.16 1.61 -1.52 -1.23 -5.03 119.66 116.26 2k3a s GLN 56 Ca 0.00 -0.52 -0.13 0.00 -1.95 0.00 0.00 55.36 52.75 2k3a s GLN 56 Cb 0.00 -2.72 0.05 0.00 -0.22 0.00 0.00 33.01 30.12 2k3a s GLN 56 CO 0.00 0.15 1.71 0.00 -0.25 0.00 0.00 175.29 176.90 2k3a h THR 58 N 0.73 0.57 0.61 0.00 1.35 -1.91 -3.22 112.91 111.04 2k3a h THR 58 Ca 0.18 -0.13 -0.03 0.00 -0.55 0.00 0.00 66.41 65.88 2k3a h THR 58 Cb 0.20 1.08 0.01 0.00 -1.73 0.00 0.00 68.15 67.70 2k3a h THR 58 CO -0.01 0.03 -0.29 -0.25 -0.25 0.00 0.00 175.52 174.74 2k3a h TRP 59 N 0.00 -0.76 0.00 4.73 7.01 -1.71 -2.53 115.95 122.69 2k3a h TRP 59 Ca -0.00 -0.02 -0.06 0.00 2.11 0.00 0.00 58.89 60.92 2k3a h TRP 59 Cb 0.08 0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 2k3a h TRP 59 CO 0.00 -0.47 -0.30 0.10 -2.79 0.00 0.00 178.44 174.98 2k3a h TYR 60 N -0.83 0.00 -0.43 2.65 -0.00 -1.70 -2.78 116.97 113.87 2k3a h TYR 60 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.63 2k3a h TYR 60 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.34 2k3a h TYR 60 CO 0.09 0.30 0.22 0.28 -0.00 0.00 0.00 178.16 179.04 2k3a h VAL 61 N 0.00 1.17 -0.63 -0.90 2.07 -1.56 -0.04 116.25 116.36 2k3a h VAL 61 Ca -0.00 -0.48 0.10 0.00 0.82 0.00 0.00 66.70 67.14 2k3a h VAL 61 Cb 0.55 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2k3a h VAL 61 CO 0.04 0.19 0.42 0.22 0.02 0.00 0.00 177.57 178.45 2k3a h TYR 62 N 0.56 0.49 0.03 1.57 3.20 -1.16 -0.37 116.97 121.30 2k3a h TYR 62 Ca 0.15 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 2k3a h TYR 62 Cb 0.10 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.22 2k3a h TYR 62 CO -0.01 0.23 -0.43 0.22 -1.64 0.00 0.00 178.16 176.53 2k3a h ASP 63 N 0.46 0.32 -0.43 -2.11 3.58 -1.43 0.26 116.42 117.06 2k3a h ASP 63 Ca 0.29 -0.84 0.06 0.00 0.42 0.00 0.00 57.03 56.96 2k3a h ASP 63 Cb 0.52 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 2k3a h ASP 63 CO -0.08 1.13 0.29 0.11 -2.88 0.00 0.00 179.24 177.81 2k3a h LYS 64 N -0.45 0.31 -0.54 0.28 1.79 -0.40 0.44 116.57 118.01 2k3a h LYS 64 Ca -0.06 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2k3a h LYS 64 Cb 1.23 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2k3a h LYS 64 CO 0.08 0.21 0.00 1.55 -1.08 0.00 0.00 179.45 180.21 2k3a n VAL 65 N -4.47 0.90 -1.82 0.50 3.14 -0.20 -4.91 118.33 111.46 2k3a n VAL 65 Ca 0.06 -0.65 -0.21 0.00 -2.96 0.00 0.00 64.34 60.58 2k3a n VAL 65 Cb 0.27 0.08 -0.07 0.00 -1.06 0.00 0.00 33.84 33.06 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 0.92 1.33 2.48 7.55 0.00 0.14 -2.21 105.19 115.41 2k3a n GLY 66 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.56 1.30 0.33 -0.02 0.00 0.90 -4.87 105.19 102.27 2k3a n GLY 67 Ca -0.22 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.02 0.90 -4.75 1.61 3.02 -0.94 -4.86 115.26 109.22 2k3a n ASN 68 Ca -0.19 -2.03 -0.31 0.00 -0.03 0.00 0.00 54.58 52.02 2k3a n ASN 68 Cb 0.61 -0.17 -0.08 0.00 -0.61 0.00 0.00 39.78 39.53 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 -1.73 1.42 -0.11 2.41 -4.36 -1.26 -5.08 121.20 112.49 2k3a s ILE 69 Ca 0.09 -1.94 -0.29 0.00 -0.26 0.00 0.00 60.65 58.24 2k3a s ILE 69 Cb 0.05 -2.37 -0.06 0.00 1.25 0.00 0.00 42.46 41.33 2k3a s ILE 69 CO 0.05 0.00 1.93 -0.83 0.24 0.00 0.00 174.94 176.33 2k3a s GLY 70 N -3.88 1.12 0.00 6.27 0.00 -1.26 -4.86 107.32 104.71 2k3a s GLY 70 Ca 0.16 0.91 0.23 0.00 0.00 0.00 0.00 44.72 46.01 2k3a s GLY 70 CO 0.08 3.42 1.74 -1.14 0.00 0.00 0.00 173.10 177.20 2k3a n SER 71 N 8.98 0.00 -0.12 1.64 3.41 -1.26 -2.97 113.62 123.30 2k3a n SER 71 Ca 0.22 -0.84 0.10 0.00 -0.26 0.00 0.00 58.87 58.09 2k3a n SER 71 Cb 0.43 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.53 2k3a n SER 71 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2k3a n THR 72 N -0.96 1.92 -0.04 6.66 5.66 -1.26 -4.72 114.28 121.54 2k3a n THR 72 Ca 0.17 -2.30 -0.11 0.00 -3.05 0.00 0.00 64.05 58.75 2k3a n THR 72 Cb 0.08 -0.24 0.02 0.00 -1.55 0.00 0.00 70.33 68.64 2k3a n THR 72 CO 0.00 0.00 0.00 -0.50 -3.05 0.00 0.00 175.07 171.52 2k3a h TRP 73 N 0.09 0.87 0.00 1.09 4.06 -1.95 -3.47 115.95 116.65 2k3a h TRP 73 Ca 0.00 -0.30 0.00 0.00 2.06 0.00 0.00 58.89 60.65 2k3a h TRP 73 Cb 1.01 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 29.00 2k3a h TRP 73 CO 0.05 1.07 0.00 0.41 -3.56 0.00 0.00 178.44 176.40 2k3a n GLY 74 N 0.24 1.70 3.64 1.49 0.00 -1.26 -4.74 105.19 106.26 2k3a n GLY 74 Ca -0.03 0.13 -0.57 0.00 0.00 0.00 0.00 46.02 45.55 2k3a n GLY 74 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k3a n ASN 75 N 10.99 1.66 0.09 1.61 4.13 -1.26 -4.83 115.26 127.66 2k3a n ASN 75 Ca 0.00 1.12 0.09 0.00 1.68 0.00 0.00 54.58 57.47 2k3a n ASN 75 Cb 0.00 -1.10 0.42 0.00 -1.54 0.00 0.00 39.78 37.55 2k3a n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k3a n ALA 76 N 3.63 1.45 1.26 5.41 0.00 -1.01 -0.55 120.51 130.69 2k3a n ALA 76 Ca 0.23 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.87 2k3a n ALA 76 Cb 0.13 -1.29 0.34 0.00 0.00 0.00 0.00 19.45 18.62 2k3a n ALA 76 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2k3a n ASN 77 N -2.00 2.16 -0.00 0.00 0.23 -0.73 -4.03 115.26 110.89 2k3a n ASN 77 Ca 0.01 -1.72 0.08 0.00 -0.53 0.00 0.00 54.58 52.42 2k3a n ASN 77 Cb 0.15 -0.01 -0.10 0.00 -2.08 0.00 0.00 39.78 37.73 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 0.69 0.89 -0.04 0.53 5.15 0.28 -4.64 115.26 118.12 2k3a n ASN 78 Ca 0.17 -0.62 0.08 0.00 -0.60 0.00 0.00 54.58 53.61 2k3a n ASN 78 Cb 0.46 1.22 0.47 0.00 -0.53 0.00 0.00 39.78 41.40 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 0.45 0.06 1.20 4.06 -1.72 0.14 115.95 120.15 2k3a h TRP 79 Ca 0.00 0.01 -0.00 0.00 2.06 0.00 0.00 58.89 60.96 2k3a h TRP 79 Cb 0.49 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.50 2k3a h TRP 79 CO 0.00 0.25 -0.03 0.00 -3.56 0.00 0.00 178.44 175.10 2k3a h ALA 80 N 1.73 -0.08 -0.47 1.49 0.00 -1.89 0.22 119.26 120.26 2k3a h ALA 80 Ca 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2k3a h ALA 80 Cb 0.27 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2k3a h ALA 80 CO -0.06 -0.41 0.14 1.03 0.00 0.00 0.00 179.25 179.95 2k3a h SER 81 N -0.35 0.69 -0.77 0.00 0.87 -1.72 -2.02 113.55 110.25 2k3a h SER 81 Ca -0.01 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2k3a h SER 81 Cb 0.31 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 2k3a h SER 81 CO 0.01 0.72 0.48 0.00 -0.53 0.00 0.00 176.83 177.51 2k3a h ALA 82 N 0.99 0.97 0.10 6.23 0.00 -0.71 0.17 119.26 127.02 2k3a h ALA 82 Ca 0.15 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2k3a h ALA 82 Cb 0.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2k3a h ALA 82 CO -0.00 0.43 -0.14 0.00 0.00 0.00 0.00 179.25 179.53 2k3a h ALA 83 N 1.26 -0.25 -0.48 0.00 0.00 -0.44 0.16 119.26 119.51 2k3a h ALA 83 Ca 0.28 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2k3a h ALA 83 Cb -0.06 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2k3a h ALA 83 CO -0.05 -0.67 0.32 1.03 0.00 0.00 0.00 179.25 179.88 2k3a h SER 84 N -0.29 0.45 1.07 0.00 0.87 -1.02 0.24 113.55 114.87 2k3a h SER 84 Ca 0.02 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 2k3a h SER 84 Cb 0.30 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2k3a h SER 84 CO -0.06 0.31 -0.43 -1.28 -0.53 0.00 0.00 176.83 174.84 2k3a h SER 85 N 0.52 0.00 -0.20 6.23 0.87 -0.05 -3.15 113.55 117.78 2k3a h SER 85 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2k3a h SER 85 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2k3a h SER 85 CO -0.05 0.43 0.00 0.00 -0.53 0.00 0.00 176.83 176.68 2k3a n ALA 86 N -2.27 2.44 -2.48 6.23 0.00 0.51 -4.98 120.51 119.96 2k3a n ALA 86 Ca 0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 53.44 52.60 2k3a n ALA 86 Cb 0.59 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.23 2k3a n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3a n GLY 87 N 1.38 0.81 3.93 0.00 0.00 0.14 -5.04 105.19 106.41 2k3a n GLY 87 Ca 0.16 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.02 2.77 -0.60 1.61 1.51 0.61 -5.00 117.35 115.23 2k3a s TYR 88 Ca 0.03 -0.44 -0.17 0.00 -1.01 0.00 0.00 57.07 55.47 2k3a s TYR 88 Cb -0.01 -2.24 0.12 0.00 -0.11 0.00 0.00 41.96 39.72 2k3a s TYR 88 CO 0.04 -0.23 0.64 0.99 -1.11 0.00 0.00 175.55 175.88 2k3a s THR 89 N -2.41 5.04 -0.51 -0.71 2.01 -1.12 -4.49 115.64 113.44 2k3a s THR 89 Ca 0.51 -1.34 -0.17 0.00 0.31 0.00 0.00 61.69 61.00 2k3a s THR 89 Cb -0.06 -4.44 0.09 0.00 0.01 0.00 0.00 72.50 68.10 2k3a s THR 89 CO 0.30 -1.03 0.50 -0.69 -0.69 0.00 0.00 174.62 173.01 2k3a s VAL 90 N 2.05 5.12 0.10 3.82 1.01 -1.26 -0.34 120.40 130.90 2k3a s VAL 90 Ca 0.09 -1.08 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 2k3a s VAL 90 Cb -0.25 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 2k3a s VAL 90 CO 0.03 -0.76 0.00 0.20 0.00 0.00 0.00 175.10 174.57 2k3a s ASN 91 N 3.01 0.56 0.00 3.32 0.01 -0.52 -4.94 114.94 116.37 2k3a s ASN 91 Ca 0.06 -1.10 0.21 0.00 -0.71 0.00 0.00 52.86 51.32 2k3a s ASN 91 Cb -0.25 0.22 0.92 0.00 0.41 0.00 0.00 41.25 42.55 2k3a s ASN 91 CO 0.06 -0.63 1.63 0.59 -1.51 0.00 0.00 177.10 177.24 2k3a n ASN 92 N -0.02 1.09 -4.59 -1.22 4.13 -1.26 -0.52 115.26 112.87 2k3a n ASN 92 Ca -0.10 -1.58 -0.45 0.00 1.68 0.00 0.00 54.58 54.13 2k3a n ASN 92 Cb 0.62 -0.06 -0.04 0.00 -1.54 0.00 0.00 39.78 38.76 2k3a n ASN 92 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2k3a n SER 93 N -0.07 3.19 0.00 6.41 7.64 -1.26 -4.77 113.62 124.76 2k3a n SER 93 Ca 0.16 0.47 0.14 0.00 1.01 0.00 0.00 58.87 60.65 2k3a n SER 93 Cb 0.24 -1.46 0.81 0.00 -1.01 0.00 0.00 64.21 62.79 2k3a n SER 93 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2k3a n PRO 94 N 8.12 0.76 -1.57 1.43 -0.04 -1.26 -4.75 135.00 137.69 2k3a n PRO 94 Ca 0.30 0.01 -0.45 0.00 -0.04 0.00 0.00 63.50 63.31 2k3a n PRO 94 Cb 0.37 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.08 1.18 -0.67 0.54 2.13 -1.26 -4.82 120.64 116.67 2k3a n GLU 95 Ca 0.19 0.41 -0.31 0.00 0.66 0.00 0.00 57.16 58.12 2k3a n GLU 95 Cb 0.13 -1.75 0.17 0.00 0.27 0.00 0.00 31.44 30.26 2k3a n GLU 95 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k3a n ALA 96 N 0.29 -2.15 -1.93 4.31 0.00 -1.26 -4.13 120.51 115.64 2k3a n ALA 96 Ca 0.11 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2k3a n ALA 96 Cb 0.31 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2k3a n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3a n GLY 97 N 0.98 0.67 3.40 0.00 0.00 -0.99 -5.04 105.19 104.20 2k3a n GLY 97 Ca 0.07 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 2k3a n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k3a s SER 98 N -2.90 0.02 -0.17 1.61 1.04 -1.26 -4.39 113.70 107.66 2k3a s SER 98 Ca 0.00 -1.04 -0.00 0.00 0.48 0.00 0.00 55.95 55.38 2k3a s SER 98 Cb 0.00 0.48 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 2k3a s SER 98 CO 0.00 -0.98 -0.14 -0.63 0.98 0.00 0.00 173.24 172.48 2k3a s ILE 99 N -4.04 2.77 -0.12 -1.02 1.09 -0.78 -0.19 121.20 118.91 2k3a s ILE 99 Ca 0.26 -0.73 -0.12 0.00 -1.10 0.00 0.00 60.65 58.96 2k3a s ILE 99 Cb 0.03 -2.19 -0.05 0.00 -1.06 0.00 0.00 42.46 39.19 2k3a s ILE 99 CO 0.07 0.50 0.26 -1.48 -0.10 0.00 0.00 174.94 174.19 2k3a s LEU 100 N 0.93 4.33 -0.54 2.97 2.34 -0.55 -0.13 118.68 128.03 2k3a s LEU 100 Ca -0.03 0.57 -0.17 0.00 0.06 0.00 0.00 54.13 54.56 2k3a s LEU 100 Cb -0.15 -2.31 0.10 0.00 -0.56 0.00 0.00 46.19 43.27 2k3a s LEU 100 CO -0.01 0.24 0.56 -1.58 -1.06 0.00 0.00 176.35 174.50 2k3a s GLN 101 N -0.29 3.02 0.16 1.48 0.74 0.07 -2.54 119.66 122.30 2k3a s GLN 101 Ca 0.17 -1.43 0.08 0.00 0.05 0.00 0.00 55.36 54.22 2k3a s GLN 101 Cb -0.13 -4.24 -0.06 0.00 1.10 0.00 0.00 33.01 29.68 2k3a s GLN 101 CO 0.05 -1.33 1.37 1.03 -0.55 0.00 0.00 175.29 175.86 2k3a h SER 102 N 8.97 0.01 0.00 6.67 0.87 -0.56 -3.29 113.55 126.22 2k3a h SER 102 Ca -0.29 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2k3a h SER 102 Cb 1.10 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2k3a h SER 102 CO 1.02 0.90 0.00 0.35 -0.53 0.00 0.00 176.83 178.57 2k3a n THR 103 N -3.47 0.00 -1.99 2.23 -2.24 -1.15 -4.82 114.28 102.85 2k3a n THR 103 Ca -0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.38 2k3a n THR 103 Cb 0.85 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.06 2.32 0.00 6.98 0.00 -1.26 -3.54 121.76 126.20 2k3a s ALA 104 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2k3a s ALA 104 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 23.12 18.89 2k3a s ALA 104 CO 0.00 -3.59 0.00 0.41 0.00 0.00 0.00 175.76 172.58 2k3a n GLY 105 N 5.64 0.00 5.43 0.00 0.00 -1.26 -4.35 105.19 110.66 2k3a n GLY 105 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2k3a n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3a n GLY 106 N 0.00 1.14 0.31 -0.02 0.00 -1.26 -2.78 105.19 102.58 2k3a n GLY 106 Ca 0.00 0.43 0.08 0.00 0.00 0.00 0.00 46.02 46.52 2k3a n GLY 106 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2k3a n TYR 107 N 0.00 0.16 0.00 1.61 4.11 -1.26 -5.02 117.16 116.75 2k3a n TYR 107 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 57.90 57.82 2k3a n TYR 107 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 2k3a n TYR 107 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k3a n GLY 108 N 0.91 0.64 3.17 -7.48 0.00 -1.12 -1.78 105.19 99.54 2k3a n GLY 108 Ca 0.12 -2.16 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.10 -0.46 0.04 1.61 2.46 -1.26 -4.34 115.29 112.25 2k3a s HIS 109 Ca 0.00 1.02 0.02 0.00 0.47 0.00 0.00 55.06 56.57 2k3a s HIS 109 Cb 0.00 0.16 -0.02 0.00 -0.13 0.00 0.00 32.58 32.58 2k3a s HIS 109 CO 0.00 -0.27 -0.08 0.14 -2.47 0.00 0.00 174.74 172.06 2k3a s VAL 110 N 1.18 0.55 0.01 0.89 -7.23 -1.26 0.20 120.40 114.73 2k3a s VAL 110 Ca -0.08 -1.01 -0.23 0.00 -1.81 0.00 0.00 61.98 58.85 2k3a s VAL 110 Cb -0.08 -0.60 0.05 0.00 0.56 0.00 0.00 36.38 36.31 2k3a s VAL 110 CO -0.09 -0.33 0.52 0.00 -0.31 0.00 0.00 175.10 174.89 2k3a s ALA 111 N -1.25 -1.32 -0.03 1.32 0.00 -1.05 -4.69 121.76 114.73 2k3a s ALA 111 Ca -0.09 0.73 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 2k3a s ALA 111 Cb -0.09 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 2k3a s ALA 111 CO 0.00 -0.41 0.95 -0.47 0.00 0.00 0.00 175.76 175.83 2k3a s TYR 112 N -1.87 3.62 -0.61 0.00 5.04 -1.26 -1.48 117.35 120.79 2k3a s TYR 112 Ca -0.09 1.62 -0.27 0.00 -2.44 0.00 0.00 57.07 55.90 2k3a s TYR 112 Cb -0.01 -3.10 0.01 0.00 0.35 0.00 0.00 41.96 39.21 2k3a s TYR 112 CO 0.03 -0.04 1.51 0.08 -1.34 0.00 0.00 175.55 175.79 2k3a s VAL 113 N 1.18 3.65 0.05 3.14 1.01 0.73 -0.46 120.40 129.69 2k3a s VAL 113 Ca 0.50 0.48 -0.32 0.00 0.00 0.00 0.00 61.98 62.63 2k3a s VAL 113 Cb -0.20 -4.40 -0.18 0.00 0.00 0.00 0.00 36.38 31.60 2k3a s VAL 113 CO 0.25 -1.25 1.44 -0.33 0.00 0.00 0.00 175.10 175.21 2k3a h GLU 114 N 11.88 -0.95 -1.92 2.72 4.39 -0.29 -2.64 114.58 127.78 2k3a h GLU 114 Ca -0.27 0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.46 2k3a h GLU 114 Cb 1.10 0.22 -0.20 0.00 -0.10 0.00 0.00 28.75 29.77 2k3a h GLU 114 CO 1.21 -0.61 0.25 1.21 -1.16 0.00 0.00 179.01 179.90 2k3a s ASN 115 N -4.38 -0.62 -0.06 1.42 2.47 -1.17 -4.65 114.94 107.95 2k3a s ASN 115 Ca -0.17 0.76 0.03 0.00 0.42 0.00 0.00 52.86 53.91 2k3a s ASN 115 Cb 0.02 0.63 -0.02 0.00 -1.45 0.00 0.00 41.25 40.43 2k3a s ASN 115 CO 0.56 -0.51 -0.16 -0.69 -3.72 0.00 0.00 177.10 172.58 2k3a s VAL 116 N -0.94 2.88 0.10 -5.21 1.01 -1.26 -0.57 120.40 116.40 2k3a s VAL 116 Ca -0.08 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.17 2k3a s VAL 116 Cb -0.01 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 2k3a s VAL 116 CO 0.07 0.58 0.04 0.20 0.00 0.00 0.00 175.10 175.98 2k3a s ASN 117 N -0.46 5.22 0.31 3.32 0.01 -0.58 -5.00 114.94 117.75 2k3a s ASN 117 Ca 0.06 -0.13 -0.00 0.00 -0.71 0.00 0.00 52.86 52.08 2k3a s ASN 117 Cb -0.12 -1.30 0.50 0.00 0.41 0.00 0.00 41.25 40.74 2k3a s ASN 117 CO 0.02 0.16 1.93 0.28 -1.51 0.00 0.00 177.10 177.98 2k3a h SER 118 N 3.29 0.79 -0.59 -1.22 0.02 -2.01 -2.58 113.55 111.25 2k3a h SER 118 Ca -0.47 -0.07 0.06 0.00 -0.84 0.00 0.00 61.79 60.47 2k3a h SER 118 Cb 1.17 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.45 2k3a h SER 118 CO 0.62 0.66 0.29 -0.78 -1.14 0.00 0.00 176.83 176.48 2k3a h ASP 119 N 0.89 0.40 0.00 3.07 3.58 -2.06 -3.46 116.42 118.85 2k3a h ASP 119 Ca 0.22 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.72 2k3a h ASP 119 Cb 0.05 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2k3a h ASP 119 CO -0.03 0.26 0.00 0.61 -2.88 0.00 0.00 179.24 177.20 2k3a n GLY 120 N -1.27 -0.18 3.12 -0.78 0.00 -0.97 -5.01 105.19 100.10 2k3a n GLY 120 Ca 0.07 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 -0.30 -0.26 1.61 0.01 -1.22 -0.82 113.70 112.71 2k3a s SER 121 Ca 0.00 0.57 -0.06 0.00 1.31 0.00 0.00 55.95 57.77 2k3a s SER 121 Cb 0.00 0.51 -0.01 0.00 0.21 0.00 0.00 66.02 66.73 2k3a s SER 121 CO 0.00 -0.14 0.05 -0.69 0.41 0.00 0.00 173.24 172.87 2k3a s VAL 122 N 0.81 3.97 -0.30 3.43 1.01 0.68 -1.53 120.40 128.46 2k3a s VAL 122 Ca -0.05 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 2k3a s VAL 122 Cb -0.07 -2.94 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 2k3a s VAL 122 CO -0.05 0.24 0.73 -1.61 0.00 0.00 0.00 175.10 174.40 2k3a s GLU 123 N 1.54 3.95 0.12 2.72 2.02 0.26 -0.98 118.70 128.33 2k3a s GLU 123 Ca 0.05 0.49 0.09 0.00 0.02 0.00 0.00 54.97 55.61 2k3a s GLU 123 Cb -0.16 -3.72 -0.04 0.00 0.10 0.00 0.00 34.13 30.31 2k3a s GLU 123 CO 0.02 -0.63 -0.17 0.14 0.02 0.00 0.00 175.26 174.64 2k3a s VAL 124 N 2.81 2.89 0.03 2.63 -7.23 0.01 0.49 120.40 122.02 2k3a s VAL 124 Ca 0.30 -1.50 -0.30 0.00 -1.81 0.00 0.00 61.98 58.66 2k3a s VAL 124 Cb -0.14 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 2k3a s VAL 124 CO 0.12 0.09 1.06 -0.94 -0.31 0.00 0.00 175.10 175.11 2k3a s SER 125 N -2.18 7.27 -0.01 4.85 1.04 0.39 -0.37 113.70 124.69 2k3a s SER 125 Ca 0.18 1.79 -0.05 0.00 0.48 0.00 0.00 55.95 58.36 2k3a s SER 125 Cb -0.10 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2k3a s SER 125 CO 0.11 -0.33 0.10 -1.61 0.98 0.00 0.00 173.24 172.49 2k3a s GLU 126 N 0.98 0.34 0.19 4.02 2.02 0.07 -4.34 118.70 121.98 2k3a s GLU 126 Ca 0.54 -0.26 0.03 0.00 0.02 0.00 0.00 54.97 55.30 2k3a s GLU 126 Cb -0.24 0.14 -0.03 0.00 0.10 0.00 0.00 34.13 34.09 2k3a s GLU 126 CO 0.29 -0.07 0.32 1.41 0.02 0.00 0.00 175.26 177.23 2k3a s MET 127 N -0.93 3.45 -1.37 1.61 -2.45 -1.26 0.51 119.30 118.86 2k3a s MET 127 Ca -0.10 -0.61 -0.09 0.00 -1.25 0.00 0.00 55.69 53.64 2k3a s MET 127 Cb -0.06 -2.92 0.02 0.00 1.25 0.00 0.00 34.83 33.11 2k3a s MET 127 CO 0.01 0.47 1.16 0.09 1.05 0.00 0.00 175.02 177.80 2k3a n ASN 128 N -0.84 -5.98 -1.99 1.11 4.13 0.14 -4.97 115.26 106.87 2k3a n ASN 128 Ca -0.07 -0.57 -0.04 0.00 1.68 0.00 0.00 54.58 55.58 2k3a n ASN 128 Cb 0.55 -4.93 -0.01 0.00 -1.54 0.00 0.00 39.78 33.85 2k3a n ASN 128 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k3a n TYR 129 N -4.93 0.07 -1.49 3.10 9.36 -0.87 -4.91 117.16 117.48 2k3a n TYR 129 Ca -0.01 -0.33 -0.42 0.00 3.32 0.00 0.00 57.90 60.46 2k3a n TYR 129 Cb 0.56 -0.02 -0.12 0.00 -0.63 0.00 0.00 39.34 39.13 2k3a n TYR 129 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2k3a n ASN 130 N -1.64 0.74 -1.82 2.98 4.13 -1.26 -0.76 115.26 117.62 2k3a n ASN 130 Ca -0.01 0.10 -0.10 0.00 1.68 0.00 0.00 54.58 56.24 2k3a n ASN 130 Cb 0.08 -1.05 0.03 0.00 -1.54 0.00 0.00 39.78 37.31 2k3a n ASN 130 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k3a n GLY 131 N 6.48 0.31 2.72 7.41 0.00 -1.26 -4.72 105.19 116.13 2k3a n GLY 131 Ca 0.59 -0.28 -0.05 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.14 -0.92 0.16 -0.02 0.00 0.06 -4.78 105.19 98.54 2k3a n GLY 132 Ca -0.00 0.70 -0.19 0.00 0.00 0.00 0.00 46.02 46.53 2k3a n GLY 132 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3a h PRO 133 N 4.37 0.51 -0.09 1.61 0.13 -1.91 0.42 132.00 137.02 2k3a h PRO 133 Ca -0.03 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2k3a h PRO 133 Cb 1.12 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2k3a h PRO 133 CO 0.01 1.23 0.00 1.19 -0.23 0.00 0.00 178.00 180.20 2k3a n PHE 134 N -4.04 0.27 -4.17 1.56 3.01 -1.26 -4.04 117.46 108.79 2k3a n PHE 134 Ca -0.12 -0.84 -0.16 0.00 1.01 0.00 0.00 57.45 57.35 2k3a n PHE 134 Cb 0.80 -0.16 -0.12 0.00 -0.01 0.00 0.00 39.48 39.99 2k3a n PHE 134 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2k3a s SER 135 N -2.14 1.13 -0.52 4.37 0.15 -1.26 -5.08 113.70 110.35 2k3a s SER 135 Ca 0.28 -0.46 -0.28 0.00 0.70 0.00 0.00 55.95 56.19 2k3a s SER 135 Cb 0.23 -0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.54 2k3a s SER 135 CO 0.05 -0.08 1.24 -0.69 1.20 0.00 0.00 173.24 174.96 2k3a s VAL 136 N -1.02 4.03 0.85 4.45 1.01 -1.26 -4.39 120.40 124.06 2k3a s VAL 136 Ca -0.04 0.98 -0.11 0.00 0.00 0.00 0.00 61.98 62.81 2k3a s VAL 136 Cb -0.08 -4.57 0.14 0.00 0.00 0.00 0.00 36.38 31.87 2k3a s VAL 136 CO 0.01 -1.13 1.19 -0.55 0.00 0.00 0.00 175.10 174.62 2k3a s SER 137 N 3.15 3.84 -0.29 3.32 0.15 0.18 -4.80 113.70 119.25 2k3a s SER 137 Ca 0.49 0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.40 2k3a s SER 137 Cb -0.09 -0.54 0.09 0.00 -1.71 0.00 0.00 66.02 63.77 2k3a s SER 137 CO 0.29 -2.26 0.05 -1.61 1.20 0.00 0.00 173.24 170.91 2k3a s GLU 138 N -5.60 1.08 -0.11 5.44 2.02 -1.26 -0.75 118.70 119.52 2k3a s GLU 138 Ca 0.68 -1.19 -0.30 0.00 0.02 0.00 0.00 54.97 54.19 2k3a s GLU 138 Cb -0.06 -2.40 -0.01 0.00 0.10 0.00 0.00 34.13 31.75 2k3a s GLU 138 CO 0.49 -0.87 1.02 0.50 0.02 0.00 0.00 175.26 176.43 2k3a s ARG 139 N 1.43 4.41 -0.64 1.61 3.52 0.51 -4.78 118.95 125.01 2k3a s ARG 139 Ca 0.06 1.41 -0.21 0.00 -0.13 0.00 0.00 55.73 56.86 2k3a s ARG 139 Cb -0.18 -3.55 0.09 0.00 -1.56 0.00 0.00 34.95 29.75 2k3a s ARG 139 CO -0.16 -0.33 0.85 0.99 -0.81 0.00 0.00 175.30 175.84 2k3a s THR 140 N 2.07 4.58 -0.04 4.11 2.01 -1.26 -0.81 115.64 126.30 2k3a s THR 140 Ca 0.49 -0.72 -0.14 0.00 0.31 0.00 0.00 61.69 61.62 2k3a s THR 140 Cb -0.18 -4.60 -0.05 0.00 0.01 0.00 0.00 72.50 67.67 2k3a s THR 140 CO 0.18 -1.31 0.39 -0.63 -0.69 0.00 0.00 174.62 172.56 2k3a s ILE 141 N 3.34 5.11 0.67 1.82 1.01 -0.15 -4.89 121.20 128.11 2k3a s ILE 141 Ca 0.17 0.78 -0.17 0.00 0.00 0.00 0.00 60.65 61.43 2k3a s ILE 141 Cb -0.20 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.58 2k3a s ILE 141 CO 0.07 0.54 1.25 -0.44 0.00 0.00 0.00 174.94 176.36 2k3a s SER 142 N -0.74 4.51 0.16 3.58 0.01 -1.26 -0.23 113.70 119.73 2k3a s SER 142 Ca 0.23 2.50 -0.15 0.00 1.31 0.00 0.00 55.95 59.84 2k3a s SER 142 Cb -0.16 -2.61 0.08 0.00 0.21 0.00 0.00 66.02 63.55 2k3a s SER 142 CO 0.11 -2.06 1.77 0.00 0.41 0.00 0.00 173.24 173.47 2k3a h ALA 143 N 0.28 0.50 -0.81 1.44 0.00 -1.35 -0.48 119.26 118.83 2k3a h ALA 143 Ca -0.50 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.53 2k3a h ALA 143 Cb 1.32 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 2k3a h ALA 143 CO 0.52 -0.19 0.53 0.78 0.00 0.00 0.00 179.25 180.89 2k3a h GLY 144 N 0.37 1.12 0.25 0.00 0.00 -1.92 0.54 103.07 103.43 2k3a h GLY 144 Ca 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2k3a h GLY 144 CO -0.15 0.21 -0.06 -2.09 0.00 0.00 0.00 176.54 174.45 2k3a h GLU 145 N 0.81 -0.15 -0.87 4.80 4.57 -1.81 -3.35 114.58 118.58 2k3a h GLU 145 Ca 0.37 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.54 2k3a h GLU 145 Cb 0.36 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 2k3a h GLU 145 CO -0.14 0.30 0.49 0.00 -1.18 0.00 0.00 179.01 178.47 2k3a h ALA 146 N -0.37 1.12 0.00 2.92 0.00 -0.94 -2.41 119.26 119.58 2k3a h ALA 146 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k3a h ALA 146 Cb 0.52 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k3a h ALA 146 CO 0.03 0.62 0.00 0.66 0.00 0.00 0.00 179.25 180.56 2k3a h SER 147 N 1.22 0.00 1.49 0.00 4.64 -1.05 -0.03 113.55 119.82 2k3a h SER 147 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2k3a h SER 147 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2k3a h SER 147 CO -0.05 0.00 0.00 -1.28 -0.87 0.00 0.00 176.83 174.63 2k3a h SER 148 N 0.00 0.00 -3.20 4.97 0.87 -1.56 -3.46 113.55 111.17 2k3a h SER 148 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 2k3a h SER 148 Cb 0.08 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2k3a h SER 148 CO 0.00 0.00 -0.19 -0.31 -0.53 0.00 0.00 176.83 175.80 2k3a s TYR 149 N -3.29 3.47 -0.07 2.24 2.02 -0.03 -5.07 117.35 116.62 2k3a s TYR 149 Ca 0.06 0.64 -0.20 0.00 -0.37 0.00 0.00 57.07 57.21 2k3a s TYR 149 Cb 0.08 -2.09 -0.05 0.00 -0.40 0.00 0.00 41.96 39.51 2k3a s TYR 149 CO 0.59 0.26 0.55 -0.80 -1.57 0.00 0.00 175.55 174.58 2k3a s ASN 150 N -2.88 6.84 -0.17 2.29 0.01 -1.24 -4.69 114.94 115.10 2k3a s ASN 150 Ca 0.43 1.00 -0.05 0.00 -0.71 0.00 0.00 52.86 53.53 2k3a s ASN 150 Cb -0.11 -2.33 -0.03 0.00 0.41 0.00 0.00 41.25 39.19 2k3a s ASN 150 CO 0.27 0.03 0.00 -0.31 -1.51 0.00 0.00 177.10 175.59 2k3a s TYR 151 N 0.30 3.12 -0.40 2.20 1.51 0.33 -0.75 117.35 123.65 2k3a s TYR 151 Ca 0.29 -0.15 -0.20 0.00 -1.01 0.00 0.00 57.07 56.01 2k3a s TYR 151 Cb -0.17 -2.01 0.01 0.00 -0.11 0.00 0.00 41.96 39.69 2k3a s TYR 151 CO 0.14 0.04 0.58 0.42 -1.11 0.00 0.00 175.55 175.62 2k3a s ILE 152 N 0.37 4.92 -0.07 2.71 1.01 0.81 -1.44 121.20 129.52 2k3a s ILE 152 Ca -0.01 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.82 2k3a s ILE 152 Cb -0.13 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 2k3a s ILE 152 CO 0.02 -0.43 0.02 -1.00 0.00 0.00 0.00 174.94 173.55 2k3a s HIS 153 N 2.61 3.20 -0.21 3.97 3.76 0.54 -1.86 115.29 127.29 2k3a s HIS 153 Ca 0.21 0.21 -0.02 0.00 -0.15 0.00 0.00 55.06 55.30 2k3a s HIS 153 Cb -0.15 -1.78 -0.20 0.00 1.11 0.00 0.00 32.58 31.57 2k3a s HIS 153 CO 0.16 0.50 -0.03 1.28 -0.85 0.00 0.00 174.74 175.80 2k3a n LEU 154 N 1.90 2.81 0.00 0.89 4.77 -1.26 -2.80 117.00 123.30 2k3a n LEU 154 Ca -0.17 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2k3a n LEU 154 Cb 0.53 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2k3a n LEU 154 CO 0.31 0.88 0.00 0.59 -1.33 0.00 0.00 177.39 177.84