#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 1.68 -0.07 3.17 -2.85 -1.26 -4.79 119.74 115.62 2k3a s LYS 2 Ca 0.00 0.56 -0.20 0.00 -1.00 0.00 0.00 55.97 55.33 2k3a s LYS 2 Cb 0.00 -4.77 -0.16 0.00 -2.06 0.00 0.00 37.83 30.84 2k3a s LYS 2 CO 0.00 -4.30 0.80 -0.22 0.10 0.00 0.00 175.35 171.73 2k3a h LYS 3 N 13.39 -0.16 -4.16 1.78 1.63 -2.14 -3.41 116.57 123.51 2k3a h LYS 3 Ca -0.02 0.01 -0.75 0.00 -0.85 0.00 0.00 60.65 59.04 2k3a h LYS 3 Cb 1.03 0.04 -0.25 0.00 -0.60 0.00 0.00 32.23 32.44 2k3a h LYS 3 CO 1.03 0.31 -0.27 -0.51 -3.45 0.00 0.00 179.45 176.56 2k3a s LEU 4 N -8.86 6.02 -0.72 5.20 1.02 -1.26 -5.04 118.68 115.04 2k3a s LEU 4 Ca -0.12 -1.79 -0.26 0.00 0.02 0.00 0.00 54.13 51.98 2k3a s LEU 4 Cb 0.00 -2.16 0.04 0.00 0.02 0.00 0.00 46.19 44.09 2k3a s LEU 4 CO 0.47 -0.80 1.19 -0.69 0.02 0.00 0.00 176.35 176.54 2k3a s VAL 5 N 1.54 3.90 0.40 -1.59 1.01 -1.26 -5.01 120.40 119.39 2k3a s VAL 5 Ca 0.04 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.26 2k3a s VAL 5 Cb -0.29 -4.86 -0.02 0.00 0.00 0.00 0.00 36.38 31.22 2k3a s VAL 5 CO 0.02 -1.75 0.40 0.28 0.00 0.00 0.00 175.10 174.06 2k3a s THR 6 N 5.24 2.89 0.05 3.92 -1.32 -1.26 -5.14 115.64 120.02 2k3a s THR 6 Ca 0.32 -1.27 -0.27 0.00 -1.21 0.00 0.00 61.69 59.25 2k3a s THR 6 Cb -0.10 -3.04 0.09 0.00 -1.51 0.00 0.00 72.50 67.94 2k3a s THR 6 CO 0.13 -0.03 0.88 0.00 -2.21 0.00 0.00 174.62 173.39 2k3a s ALA 7 N -2.42 -1.76 -0.25 11.08 0.00 -1.26 -5.03 121.76 122.12 2k3a s ALA 7 Ca 0.48 0.76 0.14 0.00 0.00 0.00 0.00 51.96 53.33 2k3a s ALA 7 Cb -0.05 0.51 0.75 0.00 0.00 0.00 0.00 23.12 24.33 2k3a s ALA 7 CO 0.29 -0.78 1.71 -2.37 0.00 0.00 0.00 175.76 174.60 2k3a n THR 8 N -0.31 2.73 -4.01 0.00 5.66 -1.26 -4.75 114.28 112.34 2k3a n THR 8 Ca -0.09 -1.57 -0.35 0.00 -3.05 0.00 0.00 64.05 59.00 2k3a n THR 8 Cb 0.62 -0.29 -0.14 0.00 -1.55 0.00 0.00 70.33 68.96 2k3a n THR 8 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2k3a s THR 9 N -2.84 3.17 -1.80 1.09 2.01 -1.26 -4.65 115.64 111.36 2k3a s THR 9 Ca 0.53 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.96 2k3a s THR 9 Cb 0.41 -2.42 0.00 0.00 0.01 0.00 0.00 72.50 70.50 2k3a s THR 9 CO 0.14 0.45 0.00 0.18 -0.69 0.00 0.00 174.62 174.70 2k3a n LEU 10 N 4.66 -1.37 -4.87 4.42 4.77 -1.26 -4.99 117.00 118.36 2k3a n LEU 10 Ca -0.19 0.36 -0.21 0.00 -0.03 0.00 0.00 56.01 55.94 2k3a n LEU 10 Cb 0.51 -2.50 -0.03 0.00 -2.33 0.00 0.00 43.42 39.07 2k3a n LEU 10 CO 0.29 -0.79 -0.12 0.28 -1.33 0.00 0.00 177.39 175.72 2k3a s THR 11 N -2.69 4.59 0.87 -5.08 -1.32 -1.26 -5.13 115.64 105.62 2k3a s THR 11 Ca 0.00 -1.27 -0.11 0.00 -1.21 0.00 0.00 61.69 59.10 2k3a s THR 11 Cb 0.00 -3.52 0.16 0.00 -1.51 0.00 0.00 72.50 67.64 2k3a s THR 11 CO 0.00 -0.32 1.20 0.00 -2.21 0.00 0.00 174.62 173.29 2k3a s ALA 12 N -2.11 2.72 0.00 11.08 0.00 -1.26 -4.46 121.76 127.73 2k3a s ALA 12 Ca 0.34 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2k3a s ALA 12 Cb -0.08 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.47 2k3a s ALA 12 CO 0.26 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.39 2k3a n GLY 13 N -3.43 2.12 1.87 0.00 0.00 -1.26 -4.68 105.19 99.81 2k3a n GLY 13 Ca 0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 2k3a n GLY 13 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2k3a n ILE 14 N 0.00 2.66 -1.87 -0.61 3.06 -1.26 -4.85 119.36 116.48 2k3a n ILE 14 Ca 0.00 -1.40 -0.39 0.00 -2.50 0.00 0.00 62.75 58.46 2k3a n ILE 14 Cb 0.00 -0.36 -0.03 0.00 0.54 0.00 0.00 39.64 39.79 2k3a n ILE 14 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2k3a n GLY 15 N 0.17 2.60 3.55 4.50 0.00 -1.26 -4.92 105.19 109.83 2k3a n GLY 15 Ca 0.33 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 5.95 3.42 0.37 4.61 0.00 -1.26 -5.07 121.76 129.78 2k3a s ALA 16 Ca 0.57 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.43 2k3a s ALA 16 Cb 0.08 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 2k3a s ALA 16 CO 0.07 -1.48 0.71 0.00 0.00 0.00 0.00 175.76 175.06 2k3a s ALA 17 N 2.70 3.42 -0.37 0.00 0.00 -1.26 -5.06 121.76 121.18 2k3a s ALA 17 Ca 0.23 -0.28 -0.17 0.00 0.00 0.00 0.00 51.96 51.74 2k3a s ALA 17 Cb -0.14 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.37 2k3a s ALA 17 CO 0.16 0.08 0.45 0.42 0.00 0.00 0.00 175.76 176.87 2k3a s ILE 18 N -2.27 5.08 -0.20 0.00 1.01 -1.26 -5.06 121.20 118.50 2k3a s ILE 18 Ca 0.50 0.03 -0.06 0.00 0.00 0.00 0.00 60.65 61.12 2k3a s ILE 18 Cb -0.10 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 2k3a s ILE 18 CO 0.30 -0.25 0.03 -0.69 0.00 0.00 0.00 174.94 174.33 2k3a s VAL 19 N 2.21 4.30 -0.17 2.92 1.01 -1.26 -5.08 120.40 124.33 2k3a s VAL 19 Ca 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 2k3a s VAL 19 Cb -0.16 -2.95 0.08 0.00 0.00 0.00 0.00 36.38 33.35 2k3a s VAL 19 CO 0.13 0.43 0.18 -0.83 0.00 0.00 0.00 175.10 175.01 2k3a s GLY 20 N 0.84 0.08 0.71 4.51 0.00 -1.26 -5.15 107.32 107.04 2k3a s GLY 20 Ca 0.02 0.23 -0.11 0.00 0.00 0.00 0.00 44.72 44.86 2k3a s GLY 20 CO 0.02 1.96 1.07 1.08 0.00 0.00 0.00 173.10 177.23 2k3a s LEU 21 N 2.28 3.14 0.48 0.66 1.02 -1.26 -5.07 118.68 119.94 2k3a s LEU 21 Ca 0.05 1.68 0.02 0.00 0.02 0.00 0.00 54.13 55.90 2k3a s LEU 21 Cb -0.15 -4.50 0.01 0.00 0.02 0.00 0.00 46.19 41.57 2k3a s LEU 21 CO -0.10 -1.56 0.69 -0.62 0.02 0.00 0.00 176.35 174.78 2k3a s ASP 22 N -3.62 5.57 -0.30 2.29 2.15 -1.26 -5.10 116.67 116.40 2k3a s ASP 22 Ca 0.59 0.02 0.03 0.00 0.43 0.00 0.00 52.55 53.62 2k3a s ASP 22 Cb -0.15 -1.10 0.08 0.00 -0.30 0.00 0.00 42.92 41.44 2k3a s ASP 22 CO 0.54 -0.88 -0.02 -1.38 -0.17 0.00 0.00 175.17 173.25 2k3a s HIS 23 N -2.59 3.47 -0.06 -5.34 -3.43 -1.26 -5.09 115.29 100.99 2k3a s HIS 23 Ca 0.53 -2.54 -0.29 0.00 -0.80 0.00 0.00 55.06 51.96 2k3a s HIS 23 Cb -0.10 -2.38 -0.07 0.00 -1.43 0.00 0.00 32.58 28.60 2k3a s HIS 23 CO 0.37 -0.90 1.95 0.20 -2.00 0.00 0.00 174.74 174.35 2k3a s GLY 24 N 1.08 1.21 -0.15 -1.38 0.00 -1.26 -4.98 107.32 101.85 2k3a s GLY 24 Ca -0.00 1.05 -0.17 0.00 0.00 0.00 0.00 44.72 45.59 2k3a s GLY 24 CO -0.06 3.45 0.45 -1.31 0.00 0.00 0.00 173.10 175.63 2k3a s ASN 25 N 5.20 6.61 -0.31 1.64 0.01 -1.26 -5.07 114.94 121.76 2k3a s ASN 25 Ca 0.87 0.72 -0.12 0.00 -0.71 0.00 0.00 52.86 53.62 2k3a s ASN 25 Cb -0.37 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 38.99 2k3a s ASN 25 CO 0.37 -0.03 0.24 -1.61 -1.51 0.00 0.00 177.10 174.56 2k3a s GLU 26 N 0.84 3.75 0.04 -0.60 0.41 -1.26 -5.07 118.70 116.82 2k3a s GLU 26 Ca 0.24 -0.43 -0.03 0.00 -0.41 0.00 0.00 54.97 54.34 2k3a s GLU 26 Cb -0.15 -3.73 -0.02 0.00 -1.78 0.00 0.00 34.13 28.45 2k3a s GLU 26 CO 0.09 -0.32 0.04 0.00 -0.49 0.00 0.00 175.26 174.59 2k3a s ALA 27 N 1.79 0.15 0.48 5.21 0.00 -1.26 -5.18 121.76 122.95 2k3a s ALA 27 Ca 0.08 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2k3a s ALA 27 Cb -0.17 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2k3a s ALA 27 CO 0.11 -0.33 0.03 0.16 0.00 0.00 0.00 175.76 175.72 2k3a s ASP 28 N -2.39 3.84 -0.06 0.00 -4.77 -1.26 -5.16 116.67 106.88 2k3a s ASP 28 Ca -0.01 -1.64 0.04 0.00 -3.30 0.00 0.00 52.55 47.63 2k3a s ASP 28 Cb 0.01 0.47 0.00 0.00 -1.09 0.00 0.00 42.92 42.32 2k3a s ASP 28 CO -0.07 -0.85 -0.17 0.00 0.70 0.00 0.00 175.17 174.79 2k3a s ALA 29 N -2.94 1.57 0.59 2.11 0.00 -1.26 -5.15 121.76 116.69 2k3a s ALA 29 Ca 0.11 -0.65 0.10 0.00 0.00 0.00 0.00 51.96 51.51 2k3a s ALA 29 Cb 0.02 -0.59 0.09 0.00 0.00 0.00 0.00 23.12 22.64 2k3a s ALA 29 CO 0.06 0.22 0.79 0.00 0.00 0.00 0.00 175.76 176.83 2k3a s ALA 30 N 0.32 4.72 0.05 0.00 0.00 -1.26 -5.15 121.76 120.45 2k3a s ALA 30 Ca -0.11 -2.14 -0.09 0.00 0.00 0.00 0.00 51.96 49.63 2k3a s ALA 30 Cb -0.14 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.57 2k3a s ALA 30 CO 0.04 -0.89 0.18 -1.83 0.00 0.00 0.00 175.76 173.26 2k3a s GLU 31 N -4.67 0.72 0.17 0.00 -1.05 -1.26 -5.18 118.70 107.43 2k3a s GLU 31 Ca 0.61 -0.76 0.02 0.00 -0.15 0.00 0.00 54.97 54.69 2k3a s GLU 31 Cb -0.05 0.30 -0.01 0.00 -0.44 0.00 0.00 34.13 33.93 2k3a s GLU 31 CO 0.39 -0.21 0.08 1.04 0.95 0.00 0.00 175.26 177.50 2k3a n GLN 32 N 0.46 0.63 -1.08 -4.83 1.13 -1.26 -5.16 117.38 107.27 2k3a n GLN 32 Ca -0.18 -1.45 -0.29 0.00 -1.94 0.00 0.00 57.00 53.14 2k3a n GLN 32 Cb 0.60 0.89 0.22 0.00 0.11 0.00 0.00 30.24 32.05 2k3a n GLN 32 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2k3a s THR 33 N -2.29 1.79 -0.46 5.09 -1.32 -1.26 -5.02 115.64 112.17 2k3a s THR 33 Ca 0.11 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.48 2k3a s THR 33 Cb 0.01 -2.46 0.10 0.00 -1.51 0.00 0.00 72.50 68.63 2k3a s THR 33 CO 0.08 0.00 0.34 -1.58 -2.21 0.00 0.00 174.62 171.25 2k3a s GLN 34 N -5.16 2.66 -0.95 7.08 0.74 -1.26 -5.03 119.66 117.74 2k3a s GLN 34 Ca 0.68 -1.59 -0.24 0.00 0.05 0.00 0.00 55.36 54.26 2k3a s GLN 34 Cb -0.14 -3.95 -0.03 0.00 1.10 0.00 0.00 33.01 29.98 2k3a s GLN 34 CO 0.57 -1.11 1.84 -1.25 -0.55 0.00 0.00 175.29 174.80 2k3a s PRO 35 N 1.46 2.79 -1.37 1.67 0.04 -1.26 -4.89 135.00 133.44 2k3a s PRO 35 Ca 0.04 -0.54 -0.15 0.00 0.04 0.00 0.00 61.00 60.39 2k3a s PRO 35 Cb -0.25 -5.14 0.02 0.00 0.04 0.00 0.00 34.50 29.16 2k3a s PRO 35 CO 0.02 -3.15 2.16 0.25 0.04 0.00 0.00 177.00 176.31 2k3a n THR 36 N 7.65 3.28 -2.56 1.26 -2.24 -1.26 -4.90 114.28 115.50 2k3a n THR 36 Ca 0.39 -2.91 -0.41 0.00 -2.27 0.00 0.00 64.05 58.85 2k3a n THR 36 Cb 0.48 -2.55 -0.03 0.00 -2.10 0.00 0.00 70.33 66.12 2k3a n THR 36 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2k3a s ASN 37 N 3.51 6.32 0.00 3.42 2.47 -1.26 -4.85 114.94 124.55 2k3a s ASN 37 Ca 0.49 -0.92 0.26 0.00 0.42 0.00 0.00 52.86 53.11 2k3a s ASN 37 Cb 0.13 -2.56 1.37 0.00 -1.45 0.00 0.00 41.25 38.74 2k3a s ASN 37 CO -0.05 -1.68 1.89 0.00 -3.72 0.00 0.00 177.10 173.54 2k3a n GLN 38 N 9.11 0.48 -2.70 0.43 10.64 -1.26 -4.63 117.38 129.45 2k3a n GLN 38 Ca 0.16 0.03 -0.42 0.00 -1.83 0.00 0.00 57.00 54.95 2k3a n GLN 38 Cb 0.50 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.35 2k3a n GLN 38 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 2k3a s SER 39 N -2.44 6.25 -1.21 2.61 1.04 -1.26 -4.95 113.70 113.73 2k3a s SER 39 Ca 0.28 -0.91 -0.14 0.00 0.48 0.00 0.00 55.95 55.66 2k3a s SER 39 Cb 0.18 -2.50 0.16 0.00 0.10 0.00 0.00 66.02 63.96 2k3a s SER 39 CO 0.37 -1.59 1.46 -0.89 0.98 0.00 0.00 173.24 173.58 2k3a s THR 40 N 4.77 4.92 0.07 2.02 2.01 -1.26 -5.00 115.64 123.17 2k3a s THR 40 Ca 0.31 -2.53 -0.18 0.00 0.31 0.00 0.00 61.69 59.60 2k3a s THR 40 Cb -0.10 -4.94 -0.07 0.00 0.01 0.00 0.00 72.50 67.40 2k3a s THR 40 CO 0.08 -1.67 0.54 0.42 -0.69 0.00 0.00 174.62 173.31 2k3a s THR 41 N 1.91 4.79 -0.49 -0.82 -4.23 -1.26 -4.97 115.64 110.57 2k3a s THR 41 Ca 0.44 1.13 0.06 0.00 -1.18 0.00 0.00 61.69 62.15 2k3a s THR 41 Cb -0.02 -3.86 0.44 0.00 1.34 0.00 0.00 72.50 70.41 2k3a s THR 41 CO 0.01 0.54 1.29 1.67 -0.54 0.00 0.00 174.62 177.59 2k3a n GLN 42 N 1.66 2.83 -2.25 3.99 -0.06 -1.26 -4.87 117.38 117.42 2k3a n GLN 42 Ca -0.11 -1.77 -0.34 0.00 -2.00 0.00 0.00 57.00 52.78 2k3a n GLN 42 Cb 0.51 -1.87 -0.04 0.00 -4.06 0.00 0.00 30.24 24.78 2k3a n GLN 42 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2k3a s SER 43 N -0.40 5.67 0.40 1.69 1.04 -1.26 -4.98 113.70 115.85 2k3a s SER 43 Ca 0.31 -0.69 -0.00 0.00 0.48 0.00 0.00 55.95 56.05 2k3a s SER 43 Cb 0.25 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.79 2k3a s SER 43 CO 0.08 -2.23 0.62 0.42 0.98 0.00 0.00 173.24 173.11 2k3a s THR 44 N 7.96 4.71 0.06 2.02 -4.23 -1.26 -5.08 115.64 119.82 2k3a s THR 44 Ca 0.59 -0.40 -0.30 0.00 -1.18 0.00 0.00 61.69 60.39 2k3a s THR 44 Cb -0.06 -3.73 -0.05 0.00 1.34 0.00 0.00 72.50 70.00 2k3a s THR 44 CO 0.02 -0.52 1.02 -0.55 -0.54 0.00 0.00 174.62 174.05 2k3a s SER 45 N -4.10 7.35 0.00 3.99 0.15 -1.26 -4.95 113.70 114.88 2k3a s SER 45 Ca 0.44 1.79 0.14 0.00 0.70 0.00 0.00 55.95 59.02 2k3a s SER 45 Cb -0.10 -2.58 0.41 0.00 -1.71 0.00 0.00 66.02 62.04 2k3a s SER 45 CO 0.38 -0.23 1.34 0.61 1.20 0.00 0.00 173.24 176.53 2k3a n GLY 46 N 2.68 1.00 3.00 9.45 0.00 -1.26 -4.74 105.19 115.31 2k3a n GLY 46 Ca 0.05 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 2k3a n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k3a s SER 47 N -1.05 -0.33 0.00 1.61 0.15 -1.24 -5.00 113.70 107.84 2k3a s SER 47 Ca 0.30 0.24 0.25 0.00 0.70 0.00 0.00 55.95 57.43 2k3a s SER 47 Cb 0.15 1.47 0.43 0.00 -1.71 0.00 0.00 66.02 66.37 2k3a s SER 47 CO 0.20 -0.30 1.40 -0.24 1.20 0.00 0.00 173.24 175.50 2k3a n SER 48 N 5.38 2.69 -4.36 5.45 2.88 -1.26 -4.26 113.62 120.15 2k3a n SER 48 Ca -0.01 -1.88 -0.18 0.00 -1.33 0.00 0.00 58.87 55.46 2k3a n SER 48 Cb 0.51 -0.04 -0.10 0.00 -0.75 0.00 0.00 64.21 63.82 2k3a n SER 48 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k3a s ALA 49 N -1.91 1.97 -0.16 -1.46 0.00 -1.26 -5.12 121.76 113.83 2k3a s ALA 49 Ca 0.32 -1.87 -0.08 0.00 0.00 0.00 0.00 51.96 50.33 2k3a s ALA 49 Cb 0.20 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 2k3a s ALA 49 CO 0.31 -0.29 0.12 1.21 0.00 0.00 0.00 175.76 177.11 2k3a s ASN 50 N -3.36 6.17 -0.00 0.00 3.84 -1.26 -4.97 114.94 115.36 2k3a s ASN 50 Ca 0.32 0.31 0.21 0.00 0.21 0.00 0.00 52.86 53.91 2k3a s ASN 50 Cb 0.07 -2.03 -0.24 0.00 -0.55 0.00 0.00 41.25 38.49 2k3a s ASN 50 CO 0.11 0.29 0.82 0.18 -2.79 0.00 0.00 177.10 175.72 2k3a n LEU 51 N 2.78 0.83 -4.82 3.21 4.77 -1.26 -4.98 117.00 117.52 2k3a n LEU 51 Ca -0.18 -0.42 -0.22 0.00 -0.03 0.00 0.00 56.01 55.16 2k3a n LEU 51 Cb 0.53 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 2k3a n LEU 51 CO 0.34 0.21 -0.12 -0.31 -1.33 0.00 0.00 177.39 176.18 2k3a s TYR 52 N -3.06 2.89 0.71 -1.77 1.51 -1.26 -5.13 117.35 111.24 2k3a s TYR 52 Ca 0.05 -0.29 -0.11 0.00 -1.01 0.00 0.00 57.07 55.72 2k3a s TYR 52 Cb 0.15 -1.70 0.02 0.00 -0.11 0.00 0.00 41.96 40.33 2k3a s TYR 52 CO 0.87 0.27 1.09 -0.08 -1.11 0.00 0.00 175.55 176.58 2k3a s THR 53 N -2.30 3.32 0.00 -0.71 -1.32 -1.26 -4.94 115.64 108.43 2k3a s THR 53 Ca 0.39 0.37 0.00 0.00 -1.21 0.00 0.00 61.69 61.24 2k3a s THR 53 Cb -0.06 -3.42 0.00 0.00 -1.51 0.00 0.00 72.50 67.52 2k3a s THR 53 CO 0.25 -0.54 1.57 0.00 -2.21 0.00 0.00 174.62 173.70 2k3a n ALA 54 N -3.00 3.41 -1.77 11.08 0.00 -1.26 -3.21 120.51 125.76 2k3a n ALA 54 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2k3a n ALA 54 Cb 0.58 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2k3a n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3a n GLY 55 N 1.33 -0.17 3.19 0.00 0.00 -1.26 -5.09 105.19 103.19 2k3a n GLY 55 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 1.85 0.52 1.61 -1.52 -1.20 -5.01 119.66 115.91 2k3a s GLN 56 Ca 0.00 -0.71 0.35 0.00 -1.95 0.00 0.00 55.36 53.05 2k3a s GLN 56 Cb 0.00 -1.67 1.85 0.00 -0.22 0.00 0.00 33.01 32.97 2k3a s GLN 56 CO 0.00 0.35 2.06 0.00 -0.25 0.00 0.00 175.29 177.45 2k3a h THR 58 N 0.00 1.16 0.20 0.00 1.35 -1.93 -3.38 112.91 110.31 2k3a h THR 58 Ca 0.00 -2.49 -0.01 0.00 -0.55 0.00 0.00 66.41 63.36 2k3a h THR 58 Cb 0.04 2.47 -0.00 0.00 -1.73 0.00 0.00 68.15 68.93 2k3a h THR 58 CO 0.00 0.63 -0.14 -0.25 -0.25 0.00 0.00 175.52 175.51 2k3a h TRP 59 N 0.00 -0.39 0.00 4.73 7.01 -1.32 -1.83 115.95 124.16 2k3a h TRP 59 Ca -0.01 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 2k3a h TRP 59 Cb 1.42 0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 28.62 2k3a h TRP 59 CO 0.00 -0.21 -0.12 0.10 -2.79 0.00 0.00 178.44 175.43 2k3a h TYR 60 N -0.33 0.00 -0.17 2.65 -0.00 -1.77 -2.05 116.97 115.30 2k3a h TYR 60 Ca -0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 58.73 58.54 2k3a h TYR 60 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.99 2k3a h TYR 60 CO -0.01 0.12 -0.58 0.28 -0.00 0.00 0.00 178.16 177.97 2k3a h VAL 61 N 0.00 1.33 -0.79 -0.90 2.07 -1.71 -3.16 116.25 113.08 2k3a h VAL 61 Ca -0.00 -1.84 0.13 0.00 0.82 0.00 0.00 66.70 65.81 2k3a h VAL 61 Cb 0.23 1.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 2k3a h VAL 61 CO 0.02 0.57 0.52 0.22 0.02 0.00 0.00 177.57 178.92 2k3a h TYR 62 N 0.41 0.63 0.03 1.57 3.20 -0.57 -0.38 116.97 121.86 2k3a h TYR 62 Ca 0.00 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.70 2k3a h TYR 62 Cb 1.13 -0.20 0.02 0.00 1.54 0.00 0.00 36.73 39.21 2k3a h TYR 62 CO 0.05 0.25 -0.75 0.22 -1.64 0.00 0.00 178.16 176.29 2k3a h ASP 63 N 0.55 0.61 0.10 -2.11 3.58 -1.64 -1.06 116.42 116.44 2k3a h ASP 63 Ca 0.39 -0.79 -0.02 0.00 0.42 0.00 0.00 57.03 57.02 2k3a h ASP 63 Cb 0.72 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.58 2k3a h ASP 63 CO -0.14 1.32 -0.10 0.11 -2.88 0.00 0.00 179.24 177.55 2k3a h LYS 64 N -0.04 0.00 -0.08 0.28 1.79 -1.19 -0.31 116.57 117.02 2k3a h LYS 64 Ca -0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2k3a h LYS 64 Cb 1.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.12 2k3a h LYS 64 CO 0.15 0.10 0.00 1.55 -1.08 0.00 0.00 179.45 180.17 2k3a n VAL 65 N -4.42 0.10 -1.55 0.50 3.14 -0.27 -4.92 118.33 110.91 2k3a n VAL 65 Ca -0.03 -0.24 -0.10 0.00 -2.96 0.00 0.00 64.34 61.01 2k3a n VAL 65 Cb 0.18 0.24 -0.03 0.00 -1.06 0.00 0.00 33.84 33.16 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 1.09 0.84 2.53 7.55 0.00 -0.13 -3.29 105.19 113.78 2k3a n GLY 66 Ca 0.17 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.51 1.48 0.13 -0.02 0.00 -0.40 -4.68 105.19 100.18 2k3a n GLY 67 Ca -0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.45 0.38 -4.57 1.61 3.02 -1.21 -3.67 115.26 109.37 2k3a n ASN 68 Ca -0.21 -1.46 -0.32 0.00 -0.03 0.00 0.00 54.58 52.56 2k3a n ASN 68 Cb 0.67 -0.02 -0.11 0.00 -0.61 0.00 0.00 39.78 39.71 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 -1.96 3.48 -0.30 2.41 -4.36 -1.26 -4.96 121.20 114.24 2k3a s ILE 69 Ca 0.30 -0.88 -0.29 0.00 -0.26 0.00 0.00 60.65 59.52 2k3a s ILE 69 Cb 0.14 -2.51 -0.01 0.00 1.25 0.00 0.00 42.46 41.33 2k3a s ILE 69 CO 0.24 0.36 1.62 -0.83 0.24 0.00 0.00 174.94 176.57 2k3a s GLY 70 N -1.49 1.05 0.00 6.27 0.00 -1.26 -4.88 107.32 107.02 2k3a s GLY 70 Ca 0.17 0.24 0.13 0.00 0.00 0.00 0.00 44.72 45.26 2k3a s GLY 70 CO 0.08 3.02 1.35 -1.14 0.00 0.00 0.00 173.10 176.42 2k3a n SER 71 N 9.13 0.00 0.00 1.64 3.41 -1.26 -3.24 113.62 123.30 2k3a n SER 71 Ca 0.20 0.27 0.04 0.00 -0.26 0.00 0.00 58.87 59.12 2k3a n SER 71 Cb 0.46 -0.38 0.22 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.38 0.43 0.24 6.66 5.66 -1.26 -2.64 114.28 121.99 2k3a n THR 72 Ca 0.05 0.11 0.09 0.00 -3.05 0.00 0.00 64.05 61.24 2k3a n THR 72 Cb 0.12 -0.98 0.60 0.00 -1.55 0.00 0.00 70.33 68.52 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 0.00 0.00 0.00 1.09 6.55 -1.95 -3.49 115.95 118.16 2k3a h TRP 73 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2k3a h TRP 73 Cb 0.04 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.34 2k3a h TRP 73 CO 0.00 0.18 0.00 0.41 -1.05 0.00 0.00 178.44 177.98 2k3a n GLY 74 N -0.76 0.73 3.91 1.49 0.00 -1.08 -4.68 105.19 104.80 2k3a n GLY 74 Ca -0.02 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 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 4.91 0.00 1.61 -0.87 -1.26 -4.93 114.94 110.40 2k3a s ASN 75 Ca 0.00 0.75 0.00 0.00 -1.57 0.00 0.00 52.86 52.04 2k3a s ASN 75 Cb 0.00 -1.41 0.00 0.00 -0.02 0.00 0.00 41.25 39.82 2k3a s ASN 75 CO 0.00 -1.61 0.45 0.00 -2.57 0.00 0.00 177.10 173.37 2k3a n ALA 76 N -3.05 2.05 -0.08 0.60 0.00 -0.78 -2.28 120.51 116.97 2k3a n ALA 76 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 2k3a n ALA 76 Cb 0.60 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.06 0.36 -0.53 0.00 0.23 -0.59 -2.15 115.26 112.52 2k3a n ASN 77 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.17 2k3a n ASN 77 Cb 0.11 1.15 0.20 0.00 -2.08 0.00 0.00 39.78 39.16 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 -2.60 1.90 0.20 0.53 5.15 -0.96 -4.50 115.26 114.98 2k3a n ASN 78 Ca -0.25 -1.46 -0.15 0.00 -0.60 0.00 0.00 54.58 52.11 2k3a n ASN 78 Cb 1.00 0.21 -0.07 0.00 -0.53 0.00 0.00 39.78 40.38 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 2.61 -0.95 -0.67 1.20 4.06 -1.80 0.26 115.95 120.66 2k3a h TRP 79 Ca 0.00 0.01 0.11 0.00 2.06 0.00 0.00 58.89 61.07 2k3a h TRP 79 Cb 0.70 0.37 -0.08 0.00 -1.00 0.00 0.00 29.16 29.16 2k3a h TRP 79 CO 0.00 -0.49 0.27 0.00 -3.56 0.00 0.00 178.44 174.67 2k3a h ALA 80 N -0.21 0.90 0.33 1.49 0.00 -1.91 0.29 119.26 120.15 2k3a h ALA 80 Ca -0.01 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2k3a h ALA 80 Cb 0.65 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2k3a h ALA 80 CO -0.09 -0.17 -0.16 1.03 0.00 0.00 0.00 179.25 179.87 2k3a h SER 81 N 0.46 -0.37 -0.01 0.00 0.87 -1.80 -2.91 113.55 109.79 2k3a h SER 81 Ca 0.34 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2k3a h SER 81 Cb 0.44 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2k3a h SER 81 CO -0.32 -0.01 0.00 0.00 -0.53 0.00 0.00 176.83 175.97 2k3a h ALA 82 N -0.28 0.01 -0.21 6.23 0.00 -0.65 -0.90 119.26 123.45 2k3a h ALA 82 Ca -0.05 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2k3a h ALA 82 Cb 0.51 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 2k3a h ALA 82 CO 0.07 -0.42 -0.43 0.00 0.00 0.00 0.00 179.25 178.47 2k3a h ALA 83 N 0.86 -0.57 -0.84 0.00 0.00 -0.55 0.73 119.26 118.89 2k3a h ALA 83 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2k3a h ALA 83 Cb 0.15 0.83 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2k3a h ALA 83 CO -0.00 -0.92 0.42 0.66 0.00 0.00 0.00 179.25 179.41 2k3a h SER 84 N -0.45 1.09 0.78 0.00 4.64 -1.46 0.36 113.55 118.51 2k3a h SER 84 Ca 0.09 -0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 2k3a h SER 84 Cb 0.62 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2k3a h SER 84 CO -0.45 0.91 -0.29 -1.28 -0.87 0.00 0.00 176.83 174.85 2k3a h SER 85 N 1.20 0.00 -0.62 4.97 0.87 -0.52 -3.06 113.55 116.39 2k3a h SER 85 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2k3a h SER 85 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2k3a h SER 85 CO -0.04 0.29 0.00 0.00 -0.53 0.00 0.00 176.83 176.55 2k3a n ALA 86 N -2.28 3.16 0.00 6.23 0.00 0.25 -4.93 120.51 122.94 2k3a n ALA 86 Ca -0.00 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.90 2k3a n ALA 86 Cb 0.44 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 1.06 3.38 3.73 0.00 0.00 -0.88 -5.00 105.19 107.47 2k3a n GLY 87 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.74 2.11 -0.67 1.61 1.51 0.12 -4.93 117.35 114.37 2k3a s TYR 88 Ca 0.00 1.61 -0.15 0.00 -1.01 0.00 0.00 57.07 57.51 2k3a s TYR 88 Cb 0.00 -3.40 0.16 0.00 -0.11 0.00 0.00 41.96 38.61 2k3a s TYR 88 CO 0.00 -2.46 0.63 0.99 -1.11 0.00 0.00 175.55 173.60 2k3a s THR 89 N -2.13 5.33 -0.40 -0.71 2.01 -0.66 -3.66 115.64 115.43 2k3a s THR 89 Ca 0.72 -1.85 -0.18 0.00 0.31 0.00 0.00 61.69 60.69 2k3a s THR 89 Cb -0.27 -4.41 0.01 0.00 0.01 0.00 0.00 72.50 67.84 2k3a s THR 89 CO 0.46 -0.96 0.50 -0.69 -0.69 0.00 0.00 174.62 173.24 2k3a s VAL 90 N 1.13 5.01 0.33 3.82 1.01 -1.26 0.53 120.40 130.98 2k3a s VAL 90 Ca 0.10 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.06 2k3a s VAL 90 Cb -0.21 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2k3a s VAL 90 CO -0.02 -0.40 0.14 0.20 0.00 0.00 0.00 175.10 175.02 2k3a s ASN 91 N 1.85 1.97 0.00 3.32 0.01 -0.19 -4.92 114.94 116.98 2k3a s ASN 91 Ca 0.16 -1.56 0.29 0.00 -0.71 0.00 0.00 52.86 51.03 2k3a s ASN 91 Cb -0.16 0.35 1.36 0.00 0.41 0.00 0.00 41.25 43.22 2k3a s ASN 91 CO 0.15 -0.86 1.91 0.59 -1.51 0.00 0.00 177.10 177.38 2k3a n ASN 92 N -1.00 0.86 -4.63 -1.22 4.13 -1.26 -0.64 115.26 111.50 2k3a n ASN 92 Ca -0.01 -1.32 -0.43 0.00 1.68 0.00 0.00 54.58 54.50 2k3a n ASN 92 Cb 0.65 -0.01 -0.03 0.00 -1.54 0.00 0.00 39.78 38.86 2k3a n ASN 92 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2k3a s SER 93 N -1.95 6.37 0.00 6.41 0.15 -1.26 -4.88 113.70 118.54 2k3a s SER 93 Ca 0.41 1.76 0.09 0.00 0.70 0.00 0.00 55.95 58.92 2k3a s SER 93 Cb 0.21 -2.53 0.53 0.00 -1.71 0.00 0.00 66.02 62.52 2k3a s SER 93 CO 0.34 -1.24 1.35 -2.65 1.20 0.00 0.00 173.24 172.23 2k3a n PRO 94 N 7.64 1.06 -1.52 5.44 -0.02 -1.26 -4.72 135.00 141.62 2k3a n PRO 94 Ca 0.19 -0.10 -0.48 0.00 -2.02 0.00 0.00 63.50 61.10 2k3a n PRO 94 Cb 0.45 -1.16 -0.03 0.00 -0.02 0.00 0.00 33.50 32.74 2k3a n PRO 94 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2k3a n GLU 95 N -0.55 0.80 -1.03 -0.52 0.00 -1.26 -4.77 120.64 113.31 2k3a n GLU 95 Ca 0.07 0.28 -0.34 0.00 0.00 0.00 0.00 57.16 57.18 2k3a n GLU 95 Cb 0.05 -1.59 0.11 0.00 0.00 0.00 0.00 31.44 30.01 2k3a n GLU 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k3a n ALA 96 N 0.60 -1.41 -1.61 4.31 0.00 -1.26 -3.67 120.51 117.48 2k3a n ALA 96 Ca 0.14 -0.41 -0.00 0.00 0.00 0.00 0.00 53.44 53.17 2k3a n ALA 96 Cb 0.26 -1.97 -0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 1.20 0.38 3.50 0.00 0.00 -1.25 -5.06 105.19 103.96 2k3a n GLY 97 Ca 0.10 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.99 2.69 -0.07 1.61 1.04 -1.24 -4.65 113.70 110.09 2k3a s SER 98 Ca 0.00 -1.60 0.02 0.00 0.48 0.00 0.00 55.95 54.85 2k3a s SER 98 Cb 0.00 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.51 2k3a s SER 98 CO 0.00 -0.85 -0.10 -0.63 0.98 0.00 0.00 173.24 172.64 2k3a s ILE 99 N -3.24 1.00 -0.12 -1.02 1.01 -0.93 -0.89 121.20 117.01 2k3a s ILE 99 Ca 0.26 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 2k3a s ILE 99 Cb 0.04 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 2k3a s ILE 99 CO 0.14 0.33 0.11 -1.48 0.00 0.00 0.00 174.94 174.04 2k3a s LEU 100 N 0.90 4.17 -0.37 2.97 2.34 -0.67 0.05 118.68 128.08 2k3a s LEU 100 Ca -0.10 0.36 -0.12 0.00 0.06 0.00 0.00 54.13 54.33 2k3a s LEU 100 Cb -0.15 -2.01 0.02 0.00 -0.56 0.00 0.00 46.19 43.49 2k3a s LEU 100 CO 0.01 0.37 0.22 -1.58 -1.06 0.00 0.00 176.35 174.31 2k3a s GLN 101 N -0.79 2.92 0.06 1.48 0.74 0.25 -2.00 119.66 122.33 2k3a s GLN 101 Ca 0.13 -1.02 0.09 0.00 0.05 0.00 0.00 55.36 54.62 2k3a s GLN 101 Cb -0.12 -3.77 -0.21 0.00 1.10 0.00 0.00 33.01 30.01 2k3a s GLN 101 CO 0.03 -0.68 1.04 0.77 -0.55 0.00 0.00 175.29 175.90 2k3a h SER 102 N 8.47 0.00 0.00 6.67 0.02 -0.43 -3.17 113.55 125.11 2k3a h SER 102 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2k3a h SER 102 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2k3a h SER 102 CO 0.67 0.98 0.00 0.35 -1.14 0.00 0.00 176.83 177.70 2k3a n THR 103 N -3.22 0.00 -1.97 -2.27 -2.24 -1.20 -4.85 114.28 98.53 2k3a n THR 103 Ca -0.07 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.46 2k3a n THR 103 Cb 0.98 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.15 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 -0.21 1.52 0.00 6.98 0.00 -1.26 -4.11 121.76 124.69 2k3a s ALA 104 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.24 2k3a s ALA 104 Cb 0.00 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.50 2k3a s ALA 104 CO 0.00 -5.29 0.00 0.41 0.00 0.00 0.00 175.76 170.88 2k3a n GLY 105 N 6.33 -3.06 0.16 0.00 0.00 -1.26 -4.88 105.19 102.47 2k3a n GLY 105 Ca 0.43 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.68 0.52 2.53 -0.02 0.00 -1.26 -4.31 105.19 101.98 2k3a n GLY 106 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 2k3a n GLY 106 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2k3a n TYR 107 N -0.17 -1.26 -1.06 1.61 4.02 -1.26 -4.54 117.16 114.50 2k3a n TYR 107 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 2k3a n TYR 107 Cb 0.08 -3.75 0.00 0.00 -0.02 0.00 0.00 39.34 35.65 2k3a n TYR 107 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2k3a n GLY 108 N -1.05 -1.80 3.64 2.72 0.00 -1.26 -1.54 105.19 105.91 2k3a n GLY 108 Ca -0.20 -1.86 -0.06 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.55 -0.01 1.61 2.46 -0.91 -4.51 115.29 113.37 2k3a s HIS 109 Ca 0.00 1.20 -0.02 0.00 0.47 0.00 0.00 55.06 56.71 2k3a s HIS 109 Cb 0.00 0.37 -0.00 0.00 -0.13 0.00 0.00 32.58 32.82 2k3a s HIS 109 CO 0.00 -0.27 0.05 0.14 -2.47 0.00 0.00 174.74 172.19 2k3a s VAL 110 N 0.82 0.04 0.05 0.89 -7.23 -1.26 0.35 120.40 114.05 2k3a s VAL 110 Ca -0.03 -0.33 -0.04 0.00 -1.81 0.00 0.00 61.98 59.77 2k3a s VAL 110 Cb -0.04 -0.18 -0.02 0.00 0.56 0.00 0.00 36.38 36.70 2k3a s VAL 110 CO -0.11 -0.18 0.06 0.00 -0.31 0.00 0.00 175.10 174.56 2k3a s ALA 111 N -0.54 0.09 -0.11 1.32 0.00 -0.85 -4.74 121.76 116.93 2k3a s ALA 111 Ca -0.06 -0.75 -0.20 0.00 0.00 0.00 0.00 51.96 50.95 2k3a s ALA 111 Cb -0.04 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 2k3a s ALA 111 CO 0.00 -0.34 0.58 -0.47 0.00 0.00 0.00 175.76 175.53 2k3a s TYR 112 N -3.03 3.52 -0.25 0.00 5.04 -1.23 -1.66 117.35 119.73 2k3a s TYR 112 Ca -0.01 1.03 -0.29 0.00 -2.44 0.00 0.00 57.07 55.35 2k3a s TYR 112 Cb 0.01 -2.68 -0.01 0.00 0.35 0.00 0.00 41.96 39.64 2k3a s TYR 112 CO -0.07 0.10 1.30 0.08 -1.34 0.00 0.00 175.55 175.62 2k3a s VAL 113 N 0.84 4.17 -0.08 3.14 1.01 -0.07 -0.96 120.40 128.46 2k3a s VAL 113 Ca 0.31 1.36 -0.18 0.00 0.00 0.00 0.00 61.98 63.46 2k3a s VAL 113 Cb -0.16 -4.08 -0.14 0.00 0.00 0.00 0.00 36.38 32.00 2k3a s VAL 113 CO 0.13 -0.34 0.66 -0.33 0.00 0.00 0.00 175.10 175.22 2k3a h GLU 114 N 8.97 -0.14 -3.12 2.72 4.39 -0.52 -3.32 114.58 123.56 2k3a h GLU 114 Ca -0.27 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.45 2k3a h GLU 114 Cb 1.10 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.69 2k3a h GLU 114 CO 1.01 0.31 0.14 1.21 -1.16 0.00 0.00 179.01 180.52 2k3a s ASN 115 N -5.61 -0.35 -0.12 1.42 2.47 -1.10 -4.74 114.94 106.90 2k3a s ASN 115 Ca -0.11 -0.38 0.01 0.00 0.42 0.00 0.00 52.86 52.81 2k3a s ASN 115 Cb -0.00 0.63 -0.01 0.00 -1.45 0.00 0.00 41.25 40.42 2k3a s ASN 115 CO 0.41 -1.12 -0.17 -0.69 -3.72 0.00 0.00 177.10 171.81 2k3a s VAL 116 N -3.85 2.65 0.25 -5.21 1.01 -1.26 -0.63 120.40 113.37 2k3a s VAL 116 Ca 0.07 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 2k3a s VAL 116 Cb -0.03 -2.08 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 2k3a s VAL 116 CO -0.03 0.54 0.74 0.20 0.00 0.00 0.00 175.10 176.55 2k3a s ASN 117 N 0.36 7.02 0.64 3.32 0.01 -0.22 -4.95 114.94 121.12 2k3a s ASN 117 Ca -0.14 1.42 0.39 0.00 -0.71 0.00 0.00 52.86 53.83 2k3a s ASN 117 Cb -0.17 -2.42 2.21 0.00 0.41 0.00 0.00 41.25 41.28 2k3a s ASN 117 CO 0.07 -0.03 2.32 0.28 -1.51 0.00 0.00 177.10 178.23 2k3a h SER 118 N 3.16 0.00 0.20 -1.22 0.02 -2.00 0.97 113.55 114.67 2k3a h SER 118 Ca -0.48 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 2k3a h SER 118 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 2k3a h SER 118 CO 0.65 0.00 -0.05 -0.78 -1.14 0.00 0.00 176.83 175.51 2k3a h ASP 119 N 0.00 0.00 0.00 3.07 3.58 -2.05 -3.46 116.42 117.57 2k3a h ASP 119 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k3a h ASP 119 Cb 0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2k3a h ASP 119 CO -0.00 0.05 0.00 0.61 -2.88 0.00 0.00 179.24 177.02 2k3a n GLY 120 N -0.95 2.92 3.75 -0.78 0.00 0.34 -4.84 105.19 105.61 2k3a n GLY 120 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.38 6.85 -0.12 1.61 0.01 -1.25 -3.66 113.70 115.75 2k3a s SER 121 Ca 0.00 2.49 -0.04 0.00 1.31 0.00 0.00 55.95 59.71 2k3a s SER 121 Cb 0.00 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2k3a s SER 121 CO 0.00 -0.54 0.03 -0.69 0.41 0.00 0.00 173.24 172.45 2k3a s VAL 122 N -0.18 4.54 -0.31 3.43 1.01 0.31 -1.06 120.40 128.14 2k3a s VAL 122 Ca 0.55 -0.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.25 2k3a s VAL 122 Cb -0.38 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 2k3a s VAL 122 CO 0.42 0.56 0.30 -1.61 0.00 0.00 0.00 175.10 174.76 2k3a s GLU 123 N -0.42 3.76 0.23 2.72 2.02 0.20 -0.73 118.70 126.49 2k3a s GLU 123 Ca 0.09 -0.32 0.11 0.00 0.02 0.00 0.00 54.97 54.87 2k3a s GLU 123 Cb -0.12 -3.73 -0.05 0.00 0.10 0.00 0.00 34.13 30.33 2k3a s GLU 123 CO 0.02 -0.36 -0.15 0.14 0.02 0.00 0.00 175.26 174.93 2k3a s VAL 124 N 1.92 2.80 -0.19 2.63 -7.23 -0.40 0.26 120.40 120.18 2k3a s VAL 124 Ca 0.10 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.21 2k3a s VAL 124 Cb -0.16 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 2k3a s VAL 124 CO 0.11 -0.24 -0.04 -0.94 -0.31 0.00 0.00 175.10 173.67 2k3a s SER 125 N -3.13 4.46 0.10 4.85 1.04 -0.13 -1.01 113.70 119.88 2k3a s SER 125 Ca 0.26 -0.30 0.06 0.00 0.48 0.00 0.00 55.95 56.46 2k3a s SER 125 Cb -0.07 -1.75 -0.03 0.00 0.10 0.00 0.00 66.02 64.27 2k3a s SER 125 CO 0.14 0.05 -0.16 -1.61 0.98 0.00 0.00 173.24 172.65 2k3a s GLU 126 N 1.05 0.96 -0.42 4.02 2.02 0.29 -3.57 118.70 123.05 2k3a s GLU 126 Ca 0.01 -1.11 -0.29 0.00 0.02 0.00 0.00 54.97 53.61 2k3a s GLU 126 Cb -0.15 -0.99 0.01 0.00 0.10 0.00 0.00 34.13 33.10 2k3a s GLU 126 CO 0.00 0.21 1.44 1.41 0.02 0.00 0.00 175.26 178.35 2k3a s MET 127 N -2.11 3.52 0.01 1.61 -2.45 -1.26 -0.44 119.30 118.19 2k3a s MET 127 Ca 0.04 0.92 -0.03 0.00 -1.25 0.00 0.00 55.69 55.38 2k3a s MET 127 Cb -0.08 -4.05 -0.28 0.00 1.25 0.00 0.00 34.83 31.67 2k3a s MET 127 CO 0.03 -1.63 0.90 -0.97 1.05 0.00 0.00 175.02 174.39 2k3a h ASN 128 N 10.94 0.38 0.00 1.11 -0.00 -1.07 -3.47 115.58 123.46 2k3a h ASN 128 Ca -0.28 -0.51 0.00 0.00 -0.00 0.00 0.00 56.30 55.52 2k3a h ASN 128 Cb 1.11 -0.12 0.00 0.00 -0.00 0.00 0.00 38.32 39.31 2k3a h ASN 128 CO 1.09 1.42 0.00 0.00 -0.00 0.00 0.00 177.43 179.94 2k3a n TYR 129 N -3.45 0.00 -2.62 0.67 9.36 -0.70 -4.95 117.16 115.47 2k3a n TYR 129 Ca -0.15 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.65 2k3a n TYR 129 Cb 1.04 -0.24 -0.03 0.00 -0.63 0.00 0.00 39.34 39.48 2k3a n TYR 129 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2k3a s ASN 130 N -1.35 7.28 0.14 2.98 2.47 -1.26 -4.58 114.94 120.61 2k3a s ASN 130 Ca 0.00 1.76 0.00 0.00 0.42 0.00 0.00 52.86 55.04 2k3a s ASN 130 Cb 0.00 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.23 2k3a s ASN 130 CO 0.00 -0.33 0.00 0.61 -3.72 0.00 0.00 177.10 173.66 2k3a n GLY 131 N 3.01 1.11 3.83 1.21 0.00 -1.26 -4.83 105.19 108.25 2k3a n GLY 131 Ca 0.07 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 2k3a n GLY 131 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k3a s GLY 132 N 0.00 1.63 0.08 -0.02 0.00 -1.26 -5.00 107.32 102.75 2k3a s GLY 132 Ca 0.00 -0.25 -0.28 0.00 0.00 0.00 0.00 44.72 44.18 2k3a s GLY 132 CO 0.00 0.15 1.68 -0.56 0.00 0.00 0.00 173.10 174.37 2k3a h PRO 133 N -0.94 -0.47 -1.57 2.90 0.13 -1.93 -3.01 132.00 127.12 2k3a h PRO 133 Ca -0.46 0.03 -0.68 0.00 -0.87 0.00 0.00 66.00 64.02 2k3a h PRO 133 Cb 1.26 0.11 -0.26 0.00 0.13 0.00 0.00 31.00 32.24 2k3a h PRO 133 CO 0.61 -0.31 0.89 1.19 -0.23 0.00 0.00 178.00 180.14 2k3a n PHE 134 N -5.30 2.86 -1.98 1.56 3.72 -1.26 -4.81 117.46 112.25 2k3a n PHE 134 Ca -0.10 -2.55 -0.25 0.00 -0.05 0.00 0.00 57.45 54.49 2k3a n PHE 134 Cb 0.21 -1.30 -0.06 0.00 -0.94 0.00 0.00 39.48 37.39 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 -1.16 4.84 -0.31 4.37 0.15 -1.14 -4.92 113.70 115.53 2k3a s SER 135 Ca 0.56 -1.10 -0.16 0.00 0.70 0.00 0.00 55.95 55.96 2k3a s SER 135 Cb 0.45 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 62.16 2k3a s SER 135 CO -0.21 -3.17 0.40 -0.69 1.20 0.00 0.00 173.24 170.78 2k3a s VAL 136 N 11.49 5.14 0.49 4.45 1.01 -1.26 -0.39 120.40 141.31 2k3a s VAL 136 Ca 0.72 0.33 0.08 0.00 0.00 0.00 0.00 61.98 63.11 2k3a s VAL 136 Cb -0.04 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.56 2k3a s VAL 136 CO 0.08 -0.02 0.53 -0.44 0.00 0.00 0.00 175.10 175.25 2k3a s SER 137 N 1.70 5.09 0.19 3.32 0.01 0.42 -4.86 113.70 119.56 2k3a s SER 137 Ca 0.15 -0.82 0.06 0.00 1.31 0.00 0.00 55.95 56.65 2k3a s SER 137 Cb -0.16 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 2k3a s SER 137 CO 0.11 -0.95 0.10 -1.61 0.41 0.00 0.00 173.24 171.31 2k3a s GLU 138 N -4.34 2.74 -0.15 12.44 2.02 -1.26 -0.55 118.70 129.59 2k3a s GLU 138 Ca 0.50 -0.99 -0.08 0.00 0.02 0.00 0.00 54.97 54.42 2k3a s GLU 138 Cb -0.05 -2.53 0.06 0.00 0.10 0.00 0.00 34.13 31.71 2k3a s GLU 138 CO 0.30 0.46 0.36 0.50 0.02 0.00 0.00 175.26 176.89 2k3a s ARG 139 N -3.22 0.31 -0.37 1.61 3.52 -0.18 -4.93 118.95 115.70 2k3a s ARG 139 Ca 0.30 0.75 -0.14 0.00 -0.13 0.00 0.00 55.73 56.51 2k3a s ARG 139 Cb -0.09 -0.01 -0.00 0.00 -1.56 0.00 0.00 34.95 33.28 2k3a s ARG 139 CO 0.22 -0.18 0.27 0.99 -0.81 0.00 0.00 175.30 175.79 2k3a s THR 140 N 1.59 5.27 -0.15 4.11 2.01 -1.26 -1.27 115.64 125.94 2k3a s THR 140 Ca -0.08 -0.37 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 2k3a s THR 140 Cb -0.10 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2k3a s THR 140 CO -0.11 -0.13 0.06 -0.63 -0.69 0.00 0.00 174.62 173.12 2k3a s ILE 141 N 1.72 4.80 0.66 1.82 1.01 0.09 -4.90 121.20 126.40 2k3a s ILE 141 Ca 0.06 -0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.50 2k3a s ILE 141 Cb -0.18 -3.11 -0.00 0.00 0.01 0.00 0.00 42.46 39.18 2k3a s ILE 141 CO 0.10 0.53 1.23 -0.44 0.00 0.00 0.00 174.94 176.36 2k3a s SER 142 N -0.20 4.67 0.29 3.58 0.01 -1.26 -0.53 113.70 120.26 2k3a s SER 142 Ca 0.08 2.42 0.03 0.00 1.31 0.00 0.00 55.95 59.79 2k3a s SER 142 Cb -0.12 -2.60 0.66 0.00 0.21 0.00 0.00 66.02 64.17 2k3a s SER 142 CO 0.01 -1.95 1.78 0.00 0.41 0.00 0.00 173.24 173.49 2k3a h ALA 143 N 0.33 1.53 -0.93 1.44 0.00 -1.89 0.76 119.26 120.50 2k3a h ALA 143 Ca -0.49 0.08 0.15 0.00 0.00 0.00 0.00 54.91 54.65 2k3a h ALA 143 Cb 1.31 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 2k3a h ALA 143 CO 0.53 -0.04 0.59 0.78 0.00 0.00 0.00 179.25 181.11 2k3a h GLY 144 N 0.74 1.34 0.00 0.00 0.00 -1.91 -0.82 103.07 102.43 2k3a h GLY 144 Ca 0.54 -0.32 -0.31 0.00 0.00 0.00 0.00 47.33 47.24 2k3a h GLY 144 CO -0.37 0.07 -1.76 -2.21 0.00 0.00 0.00 176.54 172.27 2k3a n GLU 145 N -4.60 0.57 -0.01 4.80 4.07 -0.67 -4.45 120.64 120.34 2k3a n GLU 145 Ca 0.19 0.41 -0.09 0.00 -0.06 0.00 0.00 57.16 57.61 2k3a n GLU 145 Cb 0.49 -1.61 -0.03 0.00 -0.06 0.00 0.00 31.44 30.23 2k3a n GLU 145 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k3a h ALA 146 N -0.78 -0.01 0.00 4.31 0.00 -0.85 -2.20 119.26 119.73 2k3a h ALA 146 Ca -0.46 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2k3a h ALA 146 Cb 1.37 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2k3a h ALA 146 CO -0.28 -0.56 0.00 0.45 0.00 0.00 0.00 179.25 178.86 2k3a n SER 147 N -5.26 0.56 0.14 0.00 2.88 -0.32 -1.14 113.62 110.48 2k3a n SER 147 Ca -0.03 0.70 -0.01 0.00 -1.33 0.00 0.00 58.87 58.20 2k3a n SER 147 Cb 0.18 -0.80 0.20 0.00 -0.75 0.00 0.00 64.21 63.05 2k3a n SER 147 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2k3a h SER 148 N 0.00 0.03 -4.14 -3.46 0.87 -1.58 -3.46 113.55 101.82 2k3a h SER 148 Ca 0.00 -0.02 -0.49 0.00 -1.23 0.00 0.00 61.79 60.05 2k3a h SER 148 Cb 0.15 -0.01 0.06 0.00 -0.44 0.00 0.00 62.40 62.16 2k3a h SER 148 CO 0.00 0.59 0.39 -0.31 -0.53 0.00 0.00 176.83 176.97 2k3a s TYR 149 N -3.74 2.85 -0.29 2.24 2.02 -0.29 -5.00 117.35 115.14 2k3a s TYR 149 Ca -0.02 1.54 -0.25 0.00 -0.37 0.00 0.00 57.07 57.97 2k3a s TYR 149 Cb 0.13 -3.12 0.00 0.00 -0.40 0.00 0.00 41.96 38.57 2k3a s TYR 149 CO 0.76 -1.25 0.87 -0.80 -1.57 0.00 0.00 175.55 173.56 2k3a s ASN 150 N -2.29 6.77 -0.36 2.29 0.01 -1.20 -4.72 114.94 115.44 2k3a s ASN 150 Ca 0.67 0.84 -0.16 0.00 -0.71 0.00 0.00 52.86 53.50 2k3a s ASN 150 Cb -0.19 -2.45 -0.00 0.00 0.41 0.00 0.00 41.25 39.02 2k3a s ASN 150 CO 0.31 -0.65 0.40 -0.31 -1.51 0.00 0.00 177.10 175.34 2k3a s TYR 151 N 3.09 3.19 -0.00 2.20 1.51 0.19 -0.58 117.35 126.95 2k3a s TYR 151 Ca 0.36 -0.07 -0.30 0.00 -1.01 0.00 0.00 57.07 56.04 2k3a s TYR 151 Cb -0.14 -2.77 -0.03 0.00 -0.11 0.00 0.00 41.96 38.91 2k3a s TYR 151 CO 0.12 -0.51 1.01 0.42 -1.11 0.00 0.00 175.55 175.47 2k3a s ILE 152 N 2.11 4.76 0.16 2.71 1.09 0.11 -1.02 121.20 131.12 2k3a s ILE 152 Ca 0.13 1.99 0.11 0.00 -1.10 0.00 0.00 60.65 61.77 2k3a s ILE 152 Cb -0.16 -4.27 -0.04 0.00 -1.06 0.00 0.00 42.46 36.92 2k3a s ILE 152 CO 0.12 0.14 -0.24 -1.00 -0.10 0.00 0.00 174.94 173.86 2k3a s HIS 153 N 1.12 2.34 -0.23 3.97 3.76 0.19 -2.19 115.29 124.24 2k3a s HIS 153 Ca 0.52 -0.35 -0.04 0.00 -0.15 0.00 0.00 55.06 55.04 2k3a s HIS 153 Cb -0.22 -1.21 -0.13 0.00 1.11 0.00 0.00 32.58 32.13 2k3a s HIS 153 CO 0.27 0.42 -0.25 1.28 -0.85 0.00 0.00 174.74 175.62 2k3a n LEU 154 N 0.58 2.49 0.00 0.89 4.77 -1.26 -1.65 117.00 122.82 2k3a n LEU 154 Ca -0.15 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2k3a n LEU 154 Cb 0.54 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2k3a n LEU 154 CO 0.27 0.74 0.00 0.59 -1.33 0.00 0.00 177.39 177.66