#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 3.19 0.19 2.12 1.02 -1.26 -5.04 119.74 119.96 2k3a s LYS 2 Ca 0.00 -0.69 0.08 0.00 0.02 0.00 0.00 55.97 55.38 2k3a s LYS 2 Cb 0.00 -4.14 -0.04 0.00 -0.52 0.00 0.00 37.83 33.13 2k3a s LYS 2 CO 0.00 -1.53 -0.02 0.15 -0.92 0.00 0.00 175.35 173.03 2k3a s LYS 3 N 3.55 2.31 -0.38 1.68 1.02 -1.26 -5.09 119.74 121.57 2k3a s LYS 3 Ca 0.22 -1.20 -0.29 0.00 0.02 0.00 0.00 55.97 54.72 2k3a s LYS 3 Cb -0.17 -2.27 0.02 0.00 -0.52 0.00 0.00 37.83 34.89 2k3a s LYS 3 CO 0.13 0.43 1.16 -0.51 -0.92 0.00 0.00 175.35 175.65 2k3a s LEU 4 N -3.07 3.78 0.32 3.17 1.43 -1.26 -4.92 118.68 118.14 2k3a s LEU 4 Ca 0.28 0.84 0.04 0.00 -1.03 0.00 0.00 54.13 54.25 2k3a s LEU 4 Cb -0.09 -3.55 0.64 0.00 0.03 0.00 0.00 46.19 43.23 2k3a s LEU 4 CO 0.18 -1.10 1.88 1.62 0.23 0.00 0.00 176.35 179.17 2k3a h VAL 5 N 6.02 0.96 -5.83 -1.59 3.04 -2.03 -3.47 116.25 113.34 2k3a h VAL 5 Ca -0.23 -0.31 -0.14 0.00 -1.01 0.00 0.00 66.70 65.01 2k3a h VAL 5 Cb 1.07 -0.02 0.01 0.00 -2.01 0.00 0.00 31.29 30.34 2k3a h VAL 5 CO 1.07 0.16 -0.87 0.41 -1.01 0.00 0.00 177.57 177.34 2k3a n THR 6 N -4.54 -7.76 -3.78 3.17 -1.04 -1.26 -5.05 114.28 94.01 2k3a n THR 6 Ca 0.16 0.67 -0.10 0.00 -2.04 0.00 0.00 64.05 62.74 2k3a n THR 6 Cb 0.32 -5.50 -0.07 0.00 -1.82 0.00 0.00 70.33 63.26 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 -1.93 -0.50 -0.62 2.41 0.00 -1.26 -5.09 121.76 114.76 2k3a s ALA 7 Ca 0.25 -0.31 -0.26 0.00 0.00 0.00 0.00 51.96 51.64 2k3a s ALA 7 Cb -0.04 0.46 -0.09 0.00 0.00 0.00 0.00 23.12 23.45 2k3a s ALA 7 CO 0.74 -0.50 2.36 0.99 0.00 0.00 0.00 175.76 179.36 2k3a s THR 8 N -3.38 3.04 -0.28 0.00 2.01 -1.26 -4.92 115.64 110.85 2k3a s THR 8 Ca 0.01 -0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 2k3a s THR 8 Cb 0.02 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 69.45 2k3a s THR 8 CO -0.09 -0.10 0.02 -0.89 -0.69 0.00 0.00 174.62 172.87 2k3a s THR 9 N 12.94 3.44 -1.71 -0.82 2.01 -1.26 -4.61 115.64 125.64 2k3a s THR 9 Ca 0.93 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 62.03 2k3a s THR 9 Cb -0.15 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.57 2k3a s THR 9 CO 0.18 0.10 0.00 -0.11 -0.69 0.00 0.00 174.62 174.10 2k3a n LEU 10 N 4.76 -1.82 -4.20 4.42 0.00 -1.26 -4.99 117.00 113.92 2k3a n LEU 10 Ca -0.15 0.05 -0.32 0.00 0.00 0.00 0.00 56.01 55.59 2k3a n LEU 10 Cb 0.47 -2.75 -0.17 0.00 0.00 0.00 0.00 43.42 40.97 2k3a n LEU 10 CO 0.29 -0.31 -0.55 -0.89 0.00 0.00 0.00 177.39 175.93 2k3a s THR 11 N -2.93 2.02 0.00 1.96 2.01 -1.26 -4.97 115.64 112.46 2k3a s THR 11 Ca 0.00 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.01 2k3a s THR 11 Cb 0.00 -1.76 0.00 0.00 0.01 0.00 0.00 72.50 70.75 2k3a s THR 11 CO 0.00 0.55 0.00 0.00 -0.69 0.00 0.00 174.62 174.48 2k3a n ALA 12 N 3.67 1.21 -1.58 7.40 0.00 -1.26 -5.02 120.51 124.93 2k3a n ALA 12 Ca -0.19 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.24 2k3a n ALA 12 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2k3a n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3a n GLY 13 N 0.94 0.14 3.57 0.00 0.00 -1.26 -4.93 105.19 103.65 2k3a n GLY 13 Ca 0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.01 3.75 -0.30 -0.61 1.09 -1.26 -4.82 121.20 116.05 2k3a s ILE 14 Ca 0.01 -1.03 -0.24 0.00 -1.10 0.00 0.00 60.65 58.28 2k3a s ILE 14 Cb -0.00 -4.71 0.19 0.00 -1.06 0.00 0.00 42.46 36.89 2k3a s ILE 14 CO 0.03 -1.44 1.45 -0.83 -0.10 0.00 0.00 174.94 174.06 2k3a s GLY 15 N 5.95 0.40 -0.30 6.18 0.00 -1.26 -5.16 107.32 113.13 2k3a s GLY 15 Ca 0.61 3.59 -0.01 0.00 0.00 0.00 0.00 44.72 48.90 2k3a s GLY 15 CO 0.04 2.00 0.68 0.00 0.00 0.00 0.00 173.10 175.83 2k3a s ALA 16 N 0.08 -2.56 -1.36 3.20 0.00 -1.26 -5.07 121.76 114.79 2k3a s ALA 16 Ca 0.07 1.56 -0.15 0.00 0.00 0.00 0.00 51.96 53.44 2k3a s ALA 16 Cb -0.05 -2.35 -0.00 0.00 0.00 0.00 0.00 23.12 20.72 2k3a s ALA 16 CO -0.16 -1.52 2.24 0.00 0.00 0.00 0.00 175.76 176.33 2k3a n ALA 17 N 5.42 5.36 0.17 0.00 0.00 -1.26 -4.59 120.51 125.61 2k3a n ALA 17 Ca 0.00 -3.72 0.11 0.00 0.00 0.00 0.00 53.44 49.83 2k3a n ALA 17 Cb 0.53 -3.53 0.10 0.00 0.00 0.00 0.00 19.45 16.54 2k3a n ALA 17 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2k3a h ILE 18 N 3.98 0.08 -2.68 0.00 2.10 -2.08 -3.43 117.51 115.48 2k3a h ILE 18 Ca 0.57 -1.12 -0.54 0.00 1.08 0.00 0.00 64.86 64.85 2k3a h ILE 18 Cb 0.60 1.88 -0.08 0.00 -1.09 0.00 0.00 36.82 38.14 2k3a h ILE 18 CO 1.88 0.05 1.04 0.54 -1.08 0.00 0.00 178.15 180.57 2k3a s VAL 19 N -3.23 3.83 -0.37 2.19 0.11 -1.26 -4.81 120.40 116.86 2k3a s VAL 19 Ca 0.04 0.60 0.13 0.00 -2.93 0.00 0.00 61.98 59.82 2k3a s VAL 19 Cb 0.07 -4.82 0.42 0.00 -1.53 0.00 0.00 36.38 30.51 2k3a s VAL 19 CO 0.72 -1.64 1.13 0.61 -3.33 0.00 0.00 175.10 172.59 2k3a n GLY 20 N 5.26 1.49 3.39 6.54 0.00 -1.26 -5.13 105.19 115.48 2k3a n GLY 20 Ca 0.06 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 2k3a n GLY 20 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2k3a s LEU 21 N -3.08 0.80 0.00 0.99 0.05 -1.26 -5.13 118.68 111.05 2k3a s LEU 21 Ca 0.25 -1.08 0.00 0.00 0.05 0.00 0.00 54.13 53.35 2k3a s LEU 21 Cb 0.42 1.12 0.00 0.00 -2.05 0.00 0.00 46.19 45.68 2k3a s LEU 21 CO -0.03 -0.97 0.00 -0.90 -0.55 0.00 0.00 176.35 173.90 2k3a n ASP 22 N -0.30 0.00 0.00 1.48 5.75 -1.26 -5.08 116.55 117.14 2k3a n ASP 22 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 2k3a n ASP 22 Cb 0.64 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 2k3a n ASP 22 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k3a n HIS 23 N -1.74 0.00 0.00 2.11 1.44 -1.26 -4.92 115.22 110.85 2k3a n HIS 23 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2k3a n HIS 23 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2k3a n HIS 23 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2k3a n GLY 24 N -0.18 2.02 3.56 -1.39 0.00 -1.26 -4.95 105.19 103.00 2k3a n GLY 24 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 2k3a n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3a s ASN 25 N 0.00 1.47 0.01 1.61 2.20 -1.26 -5.08 114.94 113.89 2k3a s ASN 25 Ca 0.00 1.22 0.01 0.00 -0.94 0.00 0.00 52.86 53.15 2k3a s ASN 25 Cb 0.00 -1.89 -0.01 0.00 -2.00 0.00 0.00 41.25 37.35 2k3a s ASN 25 CO 0.00 -3.86 -0.04 -0.70 -2.94 0.00 0.00 177.10 169.57 2k3a s GLU 26 N -4.80 0.28 -0.84 3.55 2.12 -1.26 -4.89 118.70 112.86 2k3a s GLU 26 Ca 0.67 -0.34 -0.19 0.00 0.36 0.00 0.00 54.97 55.47 2k3a s GLU 26 Cb -0.20 -0.13 0.12 0.00 0.26 0.00 0.00 34.13 34.18 2k3a s GLU 26 CO 0.60 0.03 1.02 0.00 -0.54 0.00 0.00 175.26 176.37 2k3a s ALA 27 N -0.65 3.38 0.85 6.30 0.00 -1.26 -4.84 121.76 125.55 2k3a s ALA 27 Ca -0.05 -2.59 0.00 0.00 0.00 0.00 0.00 51.96 49.32 2k3a s ALA 27 Cb -0.05 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.16 2k3a s ALA 27 CO -0.00 -2.82 0.00 -0.40 0.00 0.00 0.00 175.76 172.54 2k3a n ASP 28 N 6.53 0.00 -4.56 0.00 5.75 -1.26 -4.86 116.55 118.16 2k3a n ASP 28 Ca 0.14 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.63 2k3a n ASP 28 Cb 0.48 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.52 2k3a n ASP 28 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k3a s ALA 29 N -3.99 1.79 -0.06 2.12 0.00 -1.26 -4.94 121.76 115.42 2k3a s ALA 29 Ca 0.00 -1.28 0.05 0.00 0.00 0.00 0.00 51.96 50.72 2k3a s ALA 29 Cb 0.00 -4.49 -0.00 0.00 0.00 0.00 0.00 23.12 18.63 2k3a s ALA 29 CO 0.00 -4.58 -0.20 0.00 0.00 0.00 0.00 175.76 170.98 2k3a s ALA 30 N 9.83 1.80 0.07 0.00 0.00 -1.26 -5.05 121.76 127.15 2k3a s ALA 30 Ca 0.69 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.80 2k3a s ALA 30 Cb -0.08 -0.60 -0.28 0.00 0.00 0.00 0.00 23.12 22.16 2k3a s ALA 30 CO 0.05 0.31 1.12 1.05 0.00 0.00 0.00 175.76 178.29 2k3a h GLU 31 N 6.29 0.24 -5.85 0.00 9.09 -2.04 -3.40 114.58 118.91 2k3a h GLU 31 Ca -0.31 -0.41 -0.49 0.00 0.05 0.00 0.00 59.36 58.20 2k3a h GLU 31 Cb 1.18 0.15 -0.07 0.00 -1.65 0.00 0.00 28.75 28.36 2k3a h GLU 31 CO 0.47 1.18 1.37 -1.14 0.05 0.00 0.00 179.01 180.95 2k3a s GLN 32 N -2.66 3.22 -0.23 1.06 -0.44 -1.26 -4.87 119.66 114.49 2k3a s GLN 32 Ca -0.04 -1.09 -0.05 0.00 -2.50 0.00 0.00 55.36 51.68 2k3a s GLN 32 Cb 0.07 -5.30 0.12 0.00 -1.64 0.00 0.00 33.01 26.26 2k3a s GLN 32 CO 0.87 -2.81 0.42 -0.08 0.50 0.00 0.00 175.29 174.20 2k3a s THR 33 N 7.13 -0.67 -0.19 -0.34 -1.32 -1.26 -5.14 115.64 113.85 2k3a s THR 33 Ca 0.58 0.06 -0.02 0.00 -1.21 0.00 0.00 61.69 61.10 2k3a s THR 33 Cb -0.01 -0.76 -0.01 0.00 -1.51 0.00 0.00 72.50 70.22 2k3a s THR 33 CO -0.00 -0.01 -0.09 -1.10 -2.21 0.00 0.00 174.62 171.21 2k3a s GLN 34 N 2.62 3.33 -0.82 7.08 -0.21 -1.26 -5.04 119.66 125.35 2k3a s GLN 34 Ca 0.05 -0.67 -0.22 0.00 0.02 0.00 0.00 55.36 54.54 2k3a s GLN 34 Cb -0.13 -2.83 -0.18 0.00 1.00 0.00 0.00 33.01 30.86 2k3a s GLN 34 CO -0.15 -0.08 2.37 -0.35 -2.12 0.00 0.00 175.29 174.96 2k3a n PRO 35 N 4.39 0.45 0.00 2.91 -0.04 -1.26 -4.43 135.00 137.01 2k3a n PRO 35 Ca -0.19 -0.54 0.00 0.00 -0.04 0.00 0.00 63.50 62.74 2k3a n PRO 35 Cb 0.51 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 2k3a n PRO 35 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k3a n THR 36 N 7.89 0.00 0.00 0.52 -2.24 -1.26 -5.06 114.28 114.13 2k3a n THR 36 Ca 0.52 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 2k3a n THR 36 Cb 0.36 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2k3a n THR 36 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2k3a n ASN 37 N -0.51 0.00 0.00 3.42 0.23 -1.26 -4.79 115.26 112.34 2k3a n ASN 37 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2k3a n ASN 37 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2k3a n ASN 37 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 2k3a n GLN 38 N 0.00 0.00 -2.28 -3.83 7.27 -1.26 -4.81 117.38 112.47 2k3a n GLN 38 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.82 2k3a n GLN 38 Cb 0.00 0.00 0.07 0.00 2.41 0.00 0.00 30.24 32.72 2k3a n GLN 38 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2k3a s SER 39 N 0.00 4.79 -0.01 1.69 1.04 -1.26 -5.03 113.70 114.92 2k3a s SER 39 Ca 0.00 0.33 0.14 0.00 0.48 0.00 0.00 55.95 56.90 2k3a s SER 39 Cb 0.00 -0.98 -0.20 0.00 0.10 0.00 0.00 66.02 64.94 2k3a s SER 39 CO 0.00 -1.59 0.37 1.07 0.98 0.00 0.00 173.24 174.08 2k3a n THR 40 N -2.86 0.00 -3.97 2.02 5.66 -1.26 -4.88 114.28 108.99 2k3a n THR 40 Ca 0.09 -0.29 -0.31 0.00 -3.05 0.00 0.00 64.05 60.49 2k3a n THR 40 Cb 0.60 0.38 -0.15 0.00 -1.55 0.00 0.00 70.33 69.61 2k3a n THR 40 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2k3a s THR 41 N -2.80 1.78 -0.50 1.09 2.01 -1.26 -5.10 115.64 110.86 2k3a s THR 41 Ca -0.03 -1.54 -0.21 0.00 0.31 0.00 0.00 61.69 60.22 2k3a s THR 41 Cb 0.09 -2.07 0.04 0.00 0.01 0.00 0.00 72.50 70.58 2k3a s THR 41 CO 0.58 -0.21 0.73 -1.58 -0.69 0.00 0.00 174.62 173.45 2k3a s GLN 42 N 1.25 3.23 -0.18 4.92 0.74 -1.26 -4.94 119.66 123.42 2k3a s GLN 42 Ca -0.03 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 54.84 2k3a s GLN 42 Cb -0.19 -4.05 0.03 0.00 1.10 0.00 0.00 33.01 29.91 2k3a s GLN 42 CO -0.08 -1.25 -0.13 -1.12 -0.55 0.00 0.00 175.29 172.16 2k3a s SER 43 N 2.57 3.15 0.01 6.67 0.01 -1.26 -4.92 113.70 119.93 2k3a s SER 43 Ca 0.22 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2k3a s SER 43 Cb -0.16 -1.27 -0.01 0.00 0.21 0.00 0.00 66.02 64.80 2k3a s SER 43 CO 0.16 -0.09 -0.02 -0.89 0.41 0.00 0.00 173.24 172.81 2k3a s THR 44 N 1.40 0.13 -0.33 1.44 2.01 -1.26 -3.97 115.64 115.05 2k3a s THR 44 Ca 0.02 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 2k3a s THR 44 Cb -0.15 -0.19 0.13 0.00 0.01 0.00 0.00 72.50 72.31 2k3a s THR 44 CO -0.10 -0.21 0.20 -0.55 -0.69 0.00 0.00 174.62 173.28 2k3a s SER 45 N -0.69 2.94 -0.57 3.53 0.15 -1.26 -4.50 113.70 113.31 2k3a s SER 45 Ca -0.07 -1.86 -0.22 0.00 0.70 0.00 0.00 55.95 54.51 2k3a s SER 45 Cb -0.05 -0.28 0.06 0.00 -1.71 0.00 0.00 66.02 64.04 2k3a s SER 45 CO -0.00 -0.34 0.83 -0.83 1.20 0.00 0.00 173.24 174.09 2k3a s GLY 46 N 1.42 1.55 -0.14 9.45 0.00 -1.26 -3.91 107.32 114.42 2k3a s GLY 46 Ca 0.15 -1.63 -0.17 0.00 0.00 0.00 0.00 44.72 43.07 2k3a s GLY 46 CO -0.11 1.83 0.44 -1.35 0.00 0.00 0.00 173.10 173.91 2k3a s SER 47 N 3.07 6.60 0.18 1.64 1.04 -1.17 -4.97 113.70 120.08 2k3a s SER 47 Ca 0.22 0.71 0.24 0.00 0.48 0.00 0.00 55.95 57.60 2k3a s SER 47 Cb -0.17 -2.26 0.36 0.00 0.10 0.00 0.00 66.02 64.06 2k3a s SER 47 CO 0.14 -0.01 1.38 0.77 0.98 0.00 0.00 173.24 176.50 2k3a h SER 48 N 6.86 0.00 -3.00 7.02 4.64 -1.90 -3.44 113.55 123.72 2k3a h SER 48 Ca -0.40 -0.12 -0.59 0.00 -0.47 0.00 0.00 61.79 60.21 2k3a h SER 48 Cb 1.17 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.16 2k3a h SER 48 CO 0.75 0.06 0.74 0.00 -0.87 0.00 0.00 176.83 177.51 2k3a s ALA 49 N -3.19 3.05 -0.36 5.18 0.00 -1.26 -5.00 121.76 120.17 2k3a s ALA 49 Ca 0.06 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.50 2k3a s ALA 49 Cb 0.12 -3.91 -0.00 0.00 0.00 0.00 0.00 23.12 19.33 2k3a s ALA 49 CO 0.71 -2.64 1.54 1.21 0.00 0.00 0.00 175.76 176.57 2k3a s ASN 50 N 3.12 6.23 -0.12 0.00 3.84 -1.26 -4.74 114.94 122.01 2k3a s ASN 50 Ca 0.33 1.07 0.11 0.00 0.21 0.00 0.00 52.86 54.58 2k3a s ASN 50 Cb -0.11 -2.54 0.54 0.00 -0.55 0.00 0.00 41.25 38.59 2k3a s ASN 50 CO 0.19 -1.48 1.37 0.18 -2.79 0.00 0.00 177.10 174.57 2k3a n LEU 51 N 9.14 3.87 -4.96 3.21 4.77 -1.26 -4.91 117.00 126.85 2k3a n LEU 51 Ca 0.18 -1.96 -0.22 0.00 -0.03 0.00 0.00 56.01 53.98 2k3a n LEU 51 Cb 0.47 -0.55 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 2k3a n LEU 51 CO 0.69 0.56 0.18 -0.31 -1.33 0.00 0.00 177.39 177.18 2k3a s TYR 52 N -1.98 1.67 0.09 -1.77 2.02 -1.26 -5.02 117.35 111.09 2k3a s TYR 52 Ca 0.37 -0.74 0.08 0.00 -0.37 0.00 0.00 57.07 56.41 2k3a s TYR 52 Cb 0.26 -2.09 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 2k3a s TYR 52 CO 0.14 -0.75 -0.22 -0.08 -1.57 0.00 0.00 175.55 173.07 2k3a s THR 53 N -2.68 1.79 -0.20 -0.71 -1.32 -1.26 -5.04 115.64 106.21 2k3a s THR 53 Ca 0.48 -1.51 -0.28 0.00 -1.21 0.00 0.00 61.69 59.17 2k3a s THR 53 Cb -0.04 -1.61 -0.05 0.00 -1.51 0.00 0.00 72.50 69.29 2k3a s THR 53 CO 0.30 0.02 2.17 0.00 -2.21 0.00 0.00 174.62 174.89 2k3a s ALA 54 N -1.08 2.81 0.00 11.08 0.00 -1.26 -2.33 121.76 130.99 2k3a s ALA 54 Ca 0.08 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.83 2k3a s ALA 54 Cb -0.10 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 18.97 2k3a s ALA 54 CO 0.04 -2.67 0.00 0.41 0.00 0.00 0.00 175.76 173.54 2k3a n GLY 55 N 5.62 1.24 3.76 0.00 0.00 -1.26 -5.13 105.19 109.43 2k3a n GLY 55 Ca 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 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 4.62 0.35 1.61 -0.21 -0.98 -4.96 119.66 120.08 2k3a s GLN 56 Ca 0.00 1.22 0.03 0.00 0.02 0.00 0.00 55.36 56.64 2k3a s GLN 56 Cb 0.00 -3.29 0.65 0.00 1.00 0.00 0.00 33.01 31.37 2k3a s GLN 56 CO 0.00 0.50 1.96 0.00 -2.12 0.00 0.00 175.29 175.63 2k3a h THR 58 N 0.69 0.84 -0.20 0.00 1.35 -1.93 -1.25 112.91 112.40 2k3a h THR 58 Ca 0.17 -0.18 0.04 0.00 -0.55 0.00 0.00 66.41 65.90 2k3a h THR 58 Cb 0.07 0.28 -0.04 0.00 -1.73 0.00 0.00 68.15 66.74 2k3a h THR 58 CO -0.02 0.09 -0.06 -0.25 -0.25 0.00 0.00 175.52 175.03 2k3a h TRP 59 N 0.51 -0.12 -0.38 4.73 7.01 -1.67 -0.02 115.95 126.01 2k3a h TRP 59 Ca 0.31 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.31 2k3a h TRP 59 Cb 0.32 0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.45 2k3a h TRP 59 CO -0.13 -0.09 0.16 -0.92 -2.79 0.00 0.00 178.44 174.67 2k3a h TYR 60 N -0.01 0.57 -0.59 2.65 3.20 -1.30 -2.64 116.97 118.85 2k3a h TYR 60 Ca 0.10 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2k3a h TYR 60 Cb 0.16 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 2k3a h TYR 60 CO -0.22 0.51 0.33 0.28 -1.64 0.00 0.00 178.16 177.41 2k3a h VAL 61 N 0.47 1.17 -0.75 1.81 2.07 -1.06 -2.00 116.25 117.97 2k3a h VAL 61 Ca 0.13 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.30 2k3a h VAL 61 Cb 0.17 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 2k3a h VAL 61 CO -0.01 0.19 0.43 0.22 0.02 0.00 0.00 177.57 178.41 2k3a h TYR 62 N 0.81 0.78 -0.13 1.57 3.20 -0.64 0.04 116.97 122.59 2k3a h TYR 62 Ca 0.21 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 2k3a h TYR 62 Cb 0.01 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.03 2k3a h TYR 62 CO 0.00 0.35 -0.03 0.22 -1.64 0.00 0.00 178.16 177.07 2k3a h ASP 63 N 0.76 0.26 -0.87 -2.11 3.58 -1.26 0.12 116.42 116.90 2k3a h ASP 63 Ca 0.35 -0.37 0.08 0.00 0.42 0.00 0.00 57.03 57.51 2k3a h ASP 63 Cb 0.25 -0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.17 2k3a h ASP 63 CO -0.21 0.56 0.56 0.11 -2.88 0.00 0.00 179.24 177.39 2k3a h LYS 64 N -0.05 0.88 -0.00 0.28 1.79 -0.78 0.08 116.57 118.77 2k3a h LYS 64 Ca 0.03 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2k3a h LYS 64 Cb 0.45 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 2k3a h LYS 64 CO 0.01 0.58 -0.06 1.55 -1.08 0.00 0.00 179.45 180.46 2k3a n VAL 65 N -4.51 0.00 -0.80 0.50 3.14 -0.05 -4.91 118.33 111.70 2k3a n VAL 65 Ca 0.14 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 2k3a n VAL 65 Cb 0.26 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.82 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 1.21 0.65 2.19 7.55 0.00 0.01 -3.56 105.19 113.25 2k3a n GLY 66 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.68 0.45 1.33 -0.02 0.00 0.39 -4.91 105.19 99.76 2k3a n GLY 67 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.03 4.14 -2.90 1.61 3.02 -1.23 -4.05 115.26 115.88 2k3a n ASN 68 Ca -0.01 -2.14 -0.17 0.00 -0.03 0.00 0.00 54.58 52.24 2k3a n ASN 68 Cb 0.11 -0.83 -0.07 0.00 -0.61 0.00 0.00 39.78 38.38 2k3a n ASN 68 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2k3a n ILE 69 N 1.15 0.00 -2.93 2.41 -5.35 -1.26 -4.77 119.36 108.62 2k3a n ILE 69 Ca 0.00 -2.07 -0.43 0.00 -0.27 0.00 0.00 62.75 59.98 2k3a n ILE 69 Cb 0.46 1.04 -0.05 0.00 -1.74 0.00 0.00 39.64 39.35 2k3a n ILE 69 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2k3a s GLY 70 N -2.98 1.55 0.30 3.28 0.00 -1.25 -3.05 107.32 105.16 2k3a s GLY 70 Ca 0.34 -1.07 0.22 0.00 0.00 0.00 0.00 44.72 44.21 2k3a s GLY 70 CO 0.24 1.86 1.66 -1.14 0.00 0.00 0.00 173.10 175.73 2k3a n SER 71 N 6.92 0.58 -0.35 1.64 3.41 -1.26 -2.00 113.62 122.56 2k3a n SER 71 Ca 0.02 0.73 0.09 0.00 -0.26 0.00 0.00 58.87 59.45 2k3a n SER 71 Cb 0.48 -0.82 0.38 0.00 -0.26 0.00 0.00 64.21 63.98 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 -2.24 0.16 0.01 6.66 5.66 -1.26 -4.06 114.28 119.21 2k3a n THR 72 Ca -0.00 -0.23 -0.04 0.00 -3.05 0.00 0.00 64.05 60.74 2k3a n THR 72 Cb 0.09 0.12 0.20 0.00 -1.55 0.00 0.00 70.33 69.19 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 1.32 0.56 0.00 1.09 6.55 -1.82 -3.47 115.95 120.18 2k3a h TRP 73 Ca 0.00 -0.12 0.00 0.00 0.95 0.00 0.00 58.89 59.72 2k3a h TRP 73 Cb 0.29 -0.14 0.00 0.00 -0.86 0.00 0.00 29.16 28.46 2k3a h TRP 73 CO 0.08 0.70 0.00 0.41 -1.05 0.00 0.00 178.44 178.58 2k3a n GLY 74 N -0.39 2.57 3.72 1.49 0.00 -1.26 -4.70 105.19 106.63 2k3a n GLY 74 Ca -0.00 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 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 9.23 3.54 0.25 1.61 4.13 -1.26 -4.87 115.26 127.88 2k3a n ASN 75 Ca 0.00 1.14 0.16 0.00 1.68 0.00 0.00 54.58 57.56 2k3a n ASN 75 Cb 0.00 -1.54 0.88 0.00 -1.54 0.00 0.00 39.78 37.58 2k3a n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k3a h ALA 76 N 4.77 1.66 0.00 5.41 0.00 -1.81 0.96 119.26 130.25 2k3a h ALA 76 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2k3a h ALA 76 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2k3a h ALA 76 CO 0.80 -0.17 0.00 0.27 0.00 0.00 0.00 179.25 180.15 2k3a n ASN 77 N -3.78 0.00 -0.42 0.00 0.23 -1.19 -3.31 115.26 106.79 2k3a n ASN 77 Ca -0.00 0.50 0.10 0.00 -0.53 0.00 0.00 54.58 54.64 2k3a n ASN 77 Cb 0.22 -0.50 -0.01 0.00 -2.08 0.00 0.00 39.78 37.41 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 -1.50 1.82 -0.16 0.53 5.15 0.33 -4.59 115.26 116.84 2k3a n ASN 78 Ca 0.06 -1.41 -0.09 0.00 -0.60 0.00 0.00 54.58 52.54 2k3a n ASN 78 Cb 0.29 0.49 -0.00 0.00 -0.53 0.00 0.00 39.78 40.04 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 2.08 0.76 -0.44 1.20 4.06 -1.57 -0.02 115.95 122.02 2k3a h TRP 79 Ca 0.00 -0.09 -0.02 0.00 2.06 0.00 0.00 58.89 60.83 2k3a h TRP 79 Cb 0.66 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.58 2k3a h TRP 79 CO 0.00 0.71 0.18 0.00 -3.56 0.00 0.00 178.44 175.77 2k3a h ALA 80 N 0.97 0.57 -0.13 1.49 0.00 -1.82 0.12 119.26 120.46 2k3a h ALA 80 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2k3a h ALA 80 Cb 0.33 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k3a h ALA 80 CO 0.00 0.17 0.01 1.03 0.00 0.00 0.00 179.25 180.47 2k3a h SER 81 N 0.56 0.20 -0.66 0.00 0.87 -1.81 -1.73 113.55 110.99 2k3a h SER 81 Ca 0.15 -0.27 0.01 0.00 -1.23 0.00 0.00 61.79 60.44 2k3a h SER 81 Cb 0.18 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 2k3a h SER 81 CO -0.01 0.43 0.44 0.00 -0.53 0.00 0.00 176.83 177.15 2k3a h ALA 82 N 0.78 0.84 0.40 6.23 0.00 -0.92 0.18 119.26 126.78 2k3a h ALA 82 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2k3a h ALA 82 Cb 0.31 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2k3a h ALA 82 CO 0.00 0.27 -0.33 0.00 0.00 0.00 0.00 179.25 179.19 2k3a h ALA 83 N 1.24 -0.75 0.00 0.00 0.00 -0.92 0.20 119.26 119.04 2k3a h ALA 83 Ca 0.24 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2k3a h ALA 83 Cb -0.10 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2k3a h ALA 83 CO -0.05 -0.95 -0.20 1.03 0.00 0.00 0.00 179.25 179.08 2k3a h SER 84 N -0.73 0.00 0.51 0.00 0.87 -1.11 0.40 113.55 113.48 2k3a h SER 84 Ca -0.03 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.33 2k3a h SER 84 Cb 0.64 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2k3a h SER 84 CO -0.02 0.20 -0.87 -1.28 -0.53 0.00 0.00 176.83 174.33 2k3a h SER 85 N 0.00 0.32 1.39 6.23 0.87 -0.36 -3.24 113.55 118.76 2k3a h SER 85 Ca -0.00 -0.25 -0.11 0.00 -1.23 0.00 0.00 61.79 60.19 2k3a h SER 85 Cb 0.36 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2k3a h SER 85 CO 0.03 1.04 -0.62 0.00 -0.53 0.00 0.00 176.83 176.75 2k3a h ALA 86 N 0.94 0.67 0.00 6.23 0.00 -0.09 -3.48 119.26 123.53 2k3a h ALA 86 Ca -0.05 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2k3a h ALA 86 Cb 1.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2k3a h ALA 86 CO 0.14 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.45 2k3a n GLY 87 N 1.25 1.28 3.81 0.00 0.00 -0.11 -4.68 105.19 106.73 2k3a n GLY 87 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 3.03 -0.79 1.61 2.02 0.12 -4.06 117.35 117.28 2k3a s TYR 88 Ca 0.00 1.46 -0.17 0.00 -0.37 0.00 0.00 57.07 57.99 2k3a s TYR 88 Cb 0.00 -2.94 0.16 0.00 -0.40 0.00 0.00 41.96 38.78 2k3a s TYR 88 CO 0.00 -1.24 0.85 0.99 -1.57 0.00 0.00 175.55 174.59 2k3a s THR 89 N -2.83 5.13 -0.22 -0.71 2.01 -1.10 -4.07 115.64 113.85 2k3a s THR 89 Ca 0.60 -1.79 -0.15 0.00 0.31 0.00 0.00 61.69 60.66 2k3a s THR 89 Cb -0.15 -4.57 -0.04 0.00 0.01 0.00 0.00 72.50 67.75 2k3a s THR 89 CO 0.49 -1.20 0.36 -0.69 -0.69 0.00 0.00 174.62 172.90 2k3a s VAL 90 N 1.63 5.21 0.18 3.82 1.01 -1.26 -0.52 120.40 130.47 2k3a s VAL 90 Ca 0.20 0.62 -0.08 0.00 0.00 0.00 0.00 61.98 62.72 2k3a s VAL 90 Cb -0.13 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2k3a s VAL 90 CO -0.05 0.25 0.27 0.20 0.00 0.00 0.00 175.10 175.77 2k3a s ASN 91 N 1.14 0.06 0.00 3.32 0.01 -0.42 -4.94 114.94 114.11 2k3a s ASN 91 Ca 0.17 -1.00 0.29 0.00 -0.71 0.00 0.00 52.86 51.61 2k3a s ASN 91 Cb -0.15 0.44 1.34 0.00 0.41 0.00 0.00 41.25 43.30 2k3a s ASN 91 CO 0.08 -0.92 1.94 0.59 -1.51 0.00 0.00 177.10 177.28 2k3a n ASN 92 N -0.24 0.23 -4.62 -1.22 4.13 -1.26 -0.72 115.26 111.56 2k3a n ASN 92 Ca -0.04 -0.32 -0.43 0.00 1.68 0.00 0.00 54.58 55.46 2k3a n ASN 92 Cb 0.63 -0.17 -0.03 0.00 -1.54 0.00 0.00 39.78 38.67 2k3a n ASN 92 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2k3a s SER 93 N -2.56 5.79 -0.03 6.41 0.01 -1.26 -4.71 113.70 117.35 2k3a s SER 93 Ca 0.28 2.06 0.01 0.00 1.31 0.00 0.00 55.95 59.61 2k3a s SER 93 Cb 0.20 -2.52 0.09 0.00 0.21 0.00 0.00 66.02 64.00 2k3a s SER 93 CO 0.48 -1.67 0.67 -0.81 0.41 0.00 0.00 173.24 172.33 2k3a n PRO 94 N 8.35 1.40 -1.67 12.44 -0.04 -1.26 -4.80 135.00 149.42 2k3a n PRO 94 Ca 0.26 -0.34 -0.38 0.00 -0.04 0.00 0.00 63.50 63.00 2k3a n PRO 94 Cb 0.44 -1.55 0.04 0.00 -0.04 0.00 0.00 33.50 32.40 2k3a n PRO 94 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k3a n GLU 95 N 0.09 1.26 -0.97 0.54 1.02 -1.26 -4.85 120.64 116.47 2k3a n GLU 95 Ca 0.03 0.47 -0.31 0.00 -0.02 0.00 0.00 57.16 57.33 2k3a n GLU 95 Cb 0.38 -2.32 0.13 0.00 -0.02 0.00 0.00 31.44 29.60 2k3a n GLU 95 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k3a s ALA 96 N -1.39 1.85 -0.15 0.62 0.00 -1.26 -4.20 121.76 117.23 2k3a s ALA 96 Ca 0.73 0.45 -0.01 0.00 0.00 0.00 0.00 51.96 53.14 2k3a s ALA 96 Cb -0.43 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2k3a s ALA 96 CO 0.49 -2.29 0.13 0.41 0.00 0.00 0.00 175.76 174.50 2k3a n GLY 97 N -0.43 0.58 3.71 0.00 0.00 -0.62 -5.05 105.19 103.39 2k3a n GLY 97 Ca 0.11 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.09 0.33 -0.13 1.61 1.04 -1.25 -4.61 113.70 107.59 2k3a s SER 98 Ca 0.04 -1.30 0.01 0.00 0.48 0.00 0.00 55.95 55.18 2k3a s SER 98 Cb -0.02 0.81 0.02 0.00 0.10 0.00 0.00 66.02 66.93 2k3a s SER 98 CO 0.08 -1.61 -0.16 -0.63 0.98 0.00 0.00 173.24 171.90 2k3a s ILE 99 N -2.37 1.67 -0.14 -1.02 1.01 -1.06 -0.51 121.20 118.78 2k3a s ILE 99 Ca 0.20 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 2k3a s ILE 99 Cb -0.04 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 2k3a s ILE 99 CO 0.15 0.47 0.22 -1.48 0.00 0.00 0.00 174.94 174.31 2k3a s LEU 100 N 1.17 4.31 -0.31 2.97 2.34 -1.02 -0.42 118.68 127.71 2k3a s LEU 100 Ca -0.01 0.49 -0.11 0.00 0.06 0.00 0.00 54.13 54.55 2k3a s LEU 100 Cb -0.14 -2.24 -0.02 0.00 -0.56 0.00 0.00 46.19 43.22 2k3a s LEU 100 CO -0.06 0.24 0.19 -1.58 -1.06 0.00 0.00 176.35 174.08 2k3a s GLN 101 N -0.19 3.55 -0.32 1.48 0.74 0.31 -2.93 119.66 122.30 2k3a s GLN 101 Ca 0.15 -0.59 -0.11 0.00 0.05 0.00 0.00 55.36 54.86 2k3a s GLN 101 Cb -0.13 -3.68 -0.01 0.00 1.10 0.00 0.00 33.01 30.29 2k3a s GLN 101 CO 0.04 -0.37 0.20 0.45 -0.55 0.00 0.00 175.29 175.06 2k3a s SER 102 N 1.69 5.83 -1.23 6.67 0.15 0.10 -2.84 113.70 124.07 2k3a s SER 102 Ca 0.06 -0.45 -0.14 0.00 0.70 0.00 0.00 55.95 56.11 2k3a s SER 102 Cb -0.17 -2.08 -0.05 0.00 -1.71 0.00 0.00 66.02 62.02 2k3a s SER 102 CO 0.09 -0.21 2.26 0.35 1.20 0.00 0.00 173.24 176.93 2k3a n THR 103 N 5.05 3.02 -1.98 6.45 -2.24 -1.26 -0.34 114.28 122.97 2k3a n THR 103 Ca -0.13 -2.34 -0.28 0.00 -2.27 0.00 0.00 64.05 59.03 2k3a n THR 103 Cb 0.50 -2.47 0.08 0.00 -2.10 0.00 0.00 70.33 66.33 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 3.54 2.82 0.50 6.98 0.00 -1.26 -4.87 121.76 129.47 2k3a s ALA 104 Ca 0.53 -0.65 0.24 0.00 0.00 0.00 0.00 51.96 52.08 2k3a s ALA 104 Cb 0.14 -2.89 1.48 0.00 0.00 0.00 0.00 23.12 21.86 2k3a s ALA 104 CO -0.02 -1.48 2.14 0.78 0.00 0.00 0.00 175.76 177.18 2k3a h GLY 105 N -0.87 0.00 -4.02 0.00 0.00 -1.94 -2.58 103.07 93.66 2k3a h GLY 105 Ca -0.45 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.72 2k3a h GLY 105 CO 0.64 0.00 -0.28 0.61 0.00 0.00 0.00 176.54 177.51 2k3a n GLY 106 N -1.10 2.76 2.43 4.60 0.00 -1.26 -4.62 105.19 108.01 2k3a n GLY 106 Ca -0.03 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 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 2.47 -0.83 0.00 1.61 4.01 -1.23 -4.70 117.16 118.50 2k3a n TYR 107 Ca 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.10 2k3a n TYR 107 Cb 0.80 -3.75 0.00 0.00 -0.31 0.00 0.00 39.34 36.08 2k3a n TYR 107 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2k3a n GLY 108 N -0.86 0.84 2.83 2.72 0.00 -0.97 -3.15 105.19 106.60 2k3a n GLY 108 Ca -0.23 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.65 -0.04 0.06 1.61 2.46 0.53 -4.60 115.29 112.66 2k3a s HIS 109 Ca 0.00 0.24 0.06 0.00 0.47 0.00 0.00 55.06 55.83 2k3a s HIS 109 Cb 0.00 -0.17 -0.03 0.00 -0.13 0.00 0.00 32.58 32.25 2k3a s HIS 109 CO 0.00 -0.11 -0.18 0.14 -2.47 0.00 0.00 174.74 172.13 2k3a s VAL 110 N 1.01 1.41 0.05 0.89 -7.23 -1.26 0.01 120.40 115.28 2k3a s VAL 110 Ca -0.08 -1.22 -0.04 0.00 -1.81 0.00 0.00 61.98 58.83 2k3a s VAL 110 Cb -0.11 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.53 2k3a s VAL 110 CO -0.04 0.02 0.05 0.00 -0.31 0.00 0.00 175.10 174.83 2k3a s ALA 111 N -0.95 0.11 -0.12 1.32 0.00 -1.15 -4.57 121.76 116.40 2k3a s ALA 111 Ca 0.04 -0.77 -0.23 0.00 0.00 0.00 0.00 51.96 51.01 2k3a s ALA 111 Cb -0.09 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 2k3a s ALA 111 CO 0.02 -0.34 0.69 -0.47 0.00 0.00 0.00 175.76 175.67 2k3a s TYR 112 N -3.03 3.49 -0.58 0.00 5.04 -1.17 -2.42 117.35 118.68 2k3a s TYR 112 Ca -0.01 1.15 -0.28 0.00 -2.44 0.00 0.00 57.07 55.48 2k3a s TYR 112 Cb 0.01 -2.83 0.02 0.00 0.35 0.00 0.00 41.96 39.52 2k3a s TYR 112 CO -0.07 -0.04 1.33 0.08 -1.34 0.00 0.00 175.55 175.52 2k3a s VAL 113 N 1.33 3.86 -0.14 3.14 1.01 0.34 -0.82 120.40 129.11 2k3a s VAL 113 Ca 0.35 0.74 -0.25 0.00 0.00 0.00 0.00 61.98 62.82 2k3a s VAL 113 Cb -0.17 -4.57 -0.25 0.00 0.00 0.00 0.00 36.38 31.39 2k3a s VAL 113 CO 0.15 -1.27 0.63 -0.33 0.00 0.00 0.00 175.10 174.27 2k3a h GLU 114 N 10.46 0.07 -3.05 2.72 5.08 -1.42 -1.65 114.58 126.78 2k3a h GLU 114 Ca -0.26 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 57.87 2k3a h GLU 114 Cb 1.08 0.05 -0.19 0.00 0.50 0.00 0.00 28.75 30.19 2k3a h GLU 114 CO 1.19 1.06 -0.22 1.21 -1.00 0.00 0.00 179.01 181.24 2k3a s ASN 115 N -6.58 -0.21 -0.03 1.42 2.47 -1.17 -4.56 114.94 106.29 2k3a s ASN 115 Ca -0.21 0.03 0.05 0.00 0.42 0.00 0.00 52.86 53.15 2k3a s ASN 115 Cb 0.01 0.35 -0.01 0.00 -1.45 0.00 0.00 41.25 40.15 2k3a s ASN 115 CO 0.70 -0.53 -0.16 -0.69 -3.72 0.00 0.00 177.10 172.69 2k3a s VAL 116 N -1.80 1.31 0.74 -5.21 1.01 -1.26 -0.62 120.40 114.57 2k3a s VAL 116 Ca -0.10 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 2k3a s VAL 116 Cb -0.03 -1.11 0.04 0.00 0.00 0.00 0.00 36.38 35.27 2k3a s VAL 116 CO 0.02 0.38 1.09 0.20 0.00 0.00 0.00 175.10 176.79 2k3a s ASN 117 N -0.17 5.07 0.43 3.32 0.01 0.06 -4.97 114.94 118.69 2k3a s ASN 117 Ca 0.02 1.24 0.12 0.00 -0.71 0.00 0.00 52.86 53.53 2k3a s ASN 117 Cb -0.09 -2.02 0.93 0.00 0.41 0.00 0.00 41.25 40.48 2k3a s ASN 117 CO 0.01 -1.59 1.99 0.28 -1.51 0.00 0.00 177.10 176.27 2k3a h SER 118 N -0.83 0.14 -0.08 -1.22 0.02 -2.01 -2.73 113.55 106.83 2k3a h SER 118 Ca -0.46 -0.02 -0.22 0.00 -0.84 0.00 0.00 61.79 60.25 2k3a h SER 118 Cb 1.26 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.77 2k3a h SER 118 CO 0.61 0.25 -0.80 -2.24 -1.14 0.00 0.00 176.83 173.52 2k3a h ASP 119 N 0.14 0.88 0.00 3.07 3.04 -2.05 -3.48 116.42 118.03 2k3a h ASP 119 Ca 0.03 -0.59 0.00 0.00 -3.24 0.00 0.00 57.03 53.23 2k3a h ASP 119 Cb 0.26 -0.26 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k3a h ASP 119 CO 0.01 1.38 0.00 0.61 -2.04 0.00 0.00 179.24 179.21 2k3a n GLY 120 N 0.71 0.55 3.67 7.15 0.00 -1.03 -4.89 105.19 111.35 2k3a n GLY 120 Ca -0.07 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.48 2k3a n GLY 120 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3a n SER 121 N 0.00 3.13 -4.43 1.61 7.64 -1.26 -3.99 113.62 116.32 2k3a n SER 121 Ca 0.00 1.07 -0.37 0.00 1.01 0.00 0.00 58.87 60.58 2k3a n SER 121 Cb 0.00 -1.42 -0.13 0.00 -1.01 0.00 0.00 64.21 61.66 2k3a n SER 121 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2k3a s VAL 122 N 1.37 4.24 -0.48 0.44 1.01 0.38 -0.76 120.40 126.60 2k3a s VAL 122 Ca 0.81 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.34 2k3a s VAL 122 Cb -0.68 -3.01 0.04 0.00 0.00 0.00 0.00 36.38 32.73 2k3a s VAL 122 CO 0.40 0.31 0.68 -1.61 0.00 0.00 0.00 175.10 174.88 2k3a s GLU 123 N 1.60 3.22 0.08 2.72 2.02 0.21 -0.59 118.70 127.96 2k3a s GLU 123 Ca 0.06 -0.56 0.06 0.00 0.02 0.00 0.00 54.97 54.55 2k3a s GLU 123 Cb -0.15 -4.03 -0.04 0.00 0.10 0.00 0.00 34.13 30.01 2k3a s GLU 123 CO 0.03 -1.17 -0.09 0.14 0.02 0.00 0.00 175.26 174.19 2k3a s VAL 124 N 2.93 3.46 -0.38 2.63 -7.23 -0.43 -1.08 120.40 120.30 2k3a s VAL 124 Ca 0.21 -1.14 -0.15 0.00 -1.81 0.00 0.00 61.98 59.10 2k3a s VAL 124 Cb -0.16 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.19 2k3a s VAL 124 CO 0.16 0.18 0.31 -0.94 -0.31 0.00 0.00 175.10 174.50 2k3a s SER 125 N -2.02 6.11 0.12 4.85 1.04 -0.00 -1.67 113.70 122.12 2k3a s SER 125 Ca 0.21 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2k3a s SER 125 Cb -0.11 -2.17 -0.00 0.00 0.10 0.00 0.00 66.02 63.84 2k3a s SER 125 CO 0.13 -0.38 0.01 -1.84 0.98 0.00 0.00 173.24 172.14 2k3a n GLU 126 N 5.23 1.43 -3.98 4.02 0.28 0.14 -3.05 120.64 124.70 2k3a n GLU 126 Ca -0.11 -0.88 -0.13 0.00 -0.16 0.00 0.00 57.16 55.88 2k3a n GLU 126 Cb 0.48 0.31 -0.14 0.00 1.43 0.00 0.00 31.44 33.53 2k3a n GLU 126 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 2k3a s MET 127 N -2.42 0.20 0.00 3.44 -2.45 -1.26 -0.30 119.30 116.50 2k3a s MET 127 Ca 0.02 -0.16 0.00 0.00 -1.25 0.00 0.00 55.69 54.29 2k3a s MET 127 Cb 0.00 -0.14 0.00 0.00 1.25 0.00 0.00 34.83 35.94 2k3a s MET 127 CO 0.01 0.03 0.00 -1.71 1.05 0.00 0.00 175.02 174.41 2k3a n ASN 128 N 2.80 0.00 -4.55 1.11 2.85 -1.14 -4.90 115.26 111.43 2k3a n ASN 128 Ca -0.14 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 53.96 2k3a n ASN 128 Cb 0.59 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.57 2k3a n ASN 128 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 2k3a s TYR 129 N -0.85 1.86 -0.94 1.20 5.04 -1.26 -4.91 117.35 117.49 2k3a s TYR 129 Ca 0.00 0.49 -0.24 0.00 -2.44 0.00 0.00 57.07 54.88 2k3a s TYR 129 Cb 0.00 -4.23 -0.06 0.00 0.35 0.00 0.00 41.96 38.02 2k3a s TYR 129 CO 0.00 -2.14 1.98 0.54 -1.34 0.00 0.00 175.55 174.59 2k3a s ASN 130 N 7.03 5.01 0.00 4.32 4.22 -1.26 -3.35 114.94 130.91 2k3a s ASN 130 Ca 0.60 -0.79 0.00 0.00 -2.14 0.00 0.00 52.86 50.53 2k3a s ASN 130 Cb -0.10 -2.56 0.00 0.00 1.28 0.00 0.00 41.25 39.87 2k3a s ASN 130 CO 0.14 -2.91 0.00 0.61 -2.04 0.00 0.00 177.10 172.90 2k3a n GLY 131 N 6.67 0.00 3.86 0.45 0.00 -1.26 -5.14 105.19 109.77 2k3a n GLY 131 Ca 0.41 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.23 1.66 0.54 -0.02 0.00 -1.21 -4.96 107.32 102.09 2k3a s GLY 132 Ca 0.00 -0.06 0.23 0.00 0.00 0.00 0.00 44.72 44.89 2k3a s GLY 132 CO 0.00 0.23 2.08 -0.56 0.00 0.00 0.00 173.10 174.85 2k3a h PRO 133 N -0.45 0.00 0.00 2.90 0.13 -2.01 -3.37 132.00 129.20 2k3a h PRO 133 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k3a h PRO 133 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k3a h PRO 133 CO 0.61 0.00 -0.21 1.97 -0.23 0.00 0.00 178.00 180.14 2k3a n PHE 134 N -4.30 0.00 -3.72 1.56 -1.74 -1.26 -5.08 117.46 102.92 2k3a n PHE 134 Ca 0.03 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.62 2k3a n PHE 134 Cb 0.35 0.27 0.02 0.00 1.52 0.00 0.00 39.48 41.64 2k3a n PHE 134 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2k3a n SER 135 N -2.33 -5.26 -4.70 5.98 2.88 -1.26 -4.79 113.62 104.14 2k3a n SER 135 Ca 0.00 -0.96 -0.39 0.00 -1.33 0.00 0.00 58.87 56.19 2k3a n SER 135 Cb 0.11 -2.81 -0.05 0.00 -0.75 0.00 0.00 64.21 60.70 2k3a n SER 135 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2k3a s VAL 136 N -3.30 5.09 -0.21 2.46 1.01 -1.26 -2.87 120.40 121.30 2k3a s VAL 136 Ca 0.31 1.22 -0.09 0.00 0.00 0.00 0.00 61.98 63.42 2k3a s VAL 136 Cb -0.13 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2k3a s VAL 136 CO 0.88 0.24 0.12 -0.55 0.00 0.00 0.00 175.10 175.79 2k3a s SER 137 N 0.84 5.90 -0.73 3.32 0.15 0.59 -4.95 113.70 118.83 2k3a s SER 137 Ca 0.32 0.10 -0.13 0.00 0.70 0.00 0.00 55.95 56.94 2k3a s SER 137 Cb -0.16 -2.04 0.19 0.00 -1.71 0.00 0.00 66.02 62.29 2k3a s SER 137 CO 0.14 0.11 0.65 -1.61 1.20 0.00 0.00 173.24 173.73 2k3a s GLU 138 N 0.74 3.28 -0.24 5.44 8.01 -1.26 -0.68 118.70 134.00 2k3a s GLU 138 Ca 0.06 -2.29 -0.14 0.00 0.01 0.00 0.00 54.97 52.61 2k3a s GLU 138 Cb -0.13 -4.28 -0.04 0.00 -4.31 0.00 0.00 34.13 25.37 2k3a s GLU 138 CO 0.02 -1.28 0.30 0.50 0.01 0.00 0.00 175.26 174.82 2k3a s ARG 139 N 0.46 4.07 -0.37 1.61 3.52 -0.67 -4.88 118.95 122.69 2k3a s ARG 139 Ca 0.14 -0.03 -0.18 0.00 -0.13 0.00 0.00 55.73 55.53 2k3a s ARG 139 Cb -0.16 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.65 2k3a s ARG 139 CO -0.06 -0.10 0.52 0.99 -0.81 0.00 0.00 175.30 175.84 2k3a s THR 140 N 1.53 5.00 -0.22 4.11 2.01 -1.26 -1.31 115.64 125.50 2k3a s THR 140 Ca 0.13 0.20 -0.08 0.00 0.31 0.00 0.00 61.69 62.26 2k3a s THR 140 Cb -0.15 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2k3a s THR 140 CO 0.08 -0.31 0.09 -0.63 -0.69 0.00 0.00 174.62 173.16 2k3a s ILE 141 N 2.43 4.73 0.50 1.82 1.01 0.24 -4.87 121.20 127.05 2k3a s ILE 141 Ca 0.18 -0.04 -0.23 0.00 0.00 0.00 0.00 60.65 60.56 2k3a s ILE 141 Cb -0.15 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.08 2k3a s ILE 141 CO 0.14 0.39 1.35 -0.44 0.00 0.00 0.00 174.94 176.38 2k3a s SER 142 N 0.98 5.62 0.26 3.58 0.01 -1.26 -0.47 113.70 122.42 2k3a s SER 142 Ca 0.05 2.74 -0.01 0.00 1.31 0.00 0.00 55.95 60.03 2k3a s SER 142 Cb -0.14 -2.64 0.54 0.00 0.21 0.00 0.00 66.02 64.00 2k3a s SER 142 CO 0.03 -1.33 1.74 0.00 0.41 0.00 0.00 173.24 174.10 2k3a h ALA 143 N 1.86 1.25 -0.11 1.44 0.00 -1.91 0.12 119.26 121.91 2k3a h ALA 143 Ca -0.51 0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.54 2k3a h ALA 143 Cb 1.28 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2k3a h ALA 143 CO 0.59 -0.16 0.27 0.78 0.00 0.00 0.00 179.25 180.73 2k3a h GLY 144 N 0.54 0.00 0.00 0.00 0.00 -1.93 0.26 103.07 101.95 2k3a h GLY 144 Ca 0.47 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 47.38 2k3a h GLY 144 CO -0.40 0.00 -2.41 -2.21 0.00 0.00 0.00 176.54 171.52 2k3a n GLU 145 N -3.27 0.55 -0.33 4.80 4.07 0.04 -4.68 120.64 121.83 2k3a n GLU 145 Ca 0.00 0.21 -0.04 0.00 -0.06 0.00 0.00 57.16 57.28 2k3a n GLU 145 Cb 0.36 -1.42 0.09 0.00 -0.06 0.00 0.00 31.44 30.40 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 -0.68 1.13 0.00 4.31 0.00 -0.45 -2.79 119.26 120.79 2k3a h ALA 146 Ca -0.62 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2k3a h ALA 146 Cb 1.63 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2k3a h ALA 146 CO -0.31 0.58 0.00 0.77 0.00 0.00 0.00 179.25 180.29 2k3a h SER 147 N 1.21 0.00 1.41 0.00 0.02 -1.20 -0.39 113.55 114.60 2k3a h SER 147 Ca 0.32 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.16 2k3a h SER 147 Cb -0.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2k3a h SER 147 CO -0.06 0.00 -0.51 -1.28 -1.14 0.00 0.00 176.83 173.84 2k3a h SER 148 N 0.00 0.00 -4.02 3.07 0.87 -1.73 -3.45 113.55 108.29 2k3a h SER 148 Ca 0.00 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.10 2k3a h SER 148 Cb 0.02 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2k3a h SER 148 CO 0.00 0.51 0.37 -0.31 -0.53 0.00 0.00 176.83 176.87 2k3a s TYR 149 N -3.02 3.27 -0.34 2.24 2.02 -0.16 -5.01 117.35 116.36 2k3a s TYR 149 Ca 0.03 1.63 -0.26 0.00 -0.37 0.00 0.00 57.07 58.11 2k3a s TYR 149 Cb 0.08 -2.97 0.01 0.00 -0.40 0.00 0.00 41.96 38.68 2k3a s TYR 149 CO 0.74 -0.36 0.92 -0.80 -1.57 0.00 0.00 175.55 174.48 2k3a s ASN 150 N -1.93 6.74 -0.42 2.29 0.02 -1.13 -4.61 114.94 115.90 2k3a s ASN 150 Ca 0.61 0.73 -0.19 0.00 -1.02 0.00 0.00 52.86 53.00 2k3a s ASN 150 Cb -0.15 -2.47 0.02 0.00 0.02 0.00 0.00 41.25 38.67 2k3a s ASN 150 CO 0.19 -0.79 0.53 -0.31 0.02 0.00 0.00 177.10 176.75 2k3a s TYR 151 N 3.36 3.13 -0.39 2.20 1.51 0.10 -0.53 117.35 126.72 2k3a s TYR 151 Ca 0.38 -0.15 -0.28 0.00 -1.01 0.00 0.00 57.07 56.01 2k3a s TYR 151 Cb -0.13 -3.09 0.02 0.00 -0.11 0.00 0.00 41.96 38.66 2k3a s TYR 151 CO 0.16 -0.75 1.05 0.42 -1.11 0.00 0.00 175.55 175.32 2k3a s ILE 152 N 2.46 4.42 -0.13 2.71 1.09 0.44 -1.30 121.20 130.90 2k3a s ILE 152 Ca 0.17 1.37 -0.05 0.00 -1.10 0.00 0.00 60.65 61.04 2k3a s ILE 152 Cb -0.16 -4.46 -0.04 0.00 -1.06 0.00 0.00 42.46 36.75 2k3a s ILE 152 CO 0.16 -0.69 0.05 -1.00 -0.10 0.00 0.00 174.94 173.36 2k3a s HIS 153 N 3.88 3.29 -0.25 3.97 3.76 0.32 -2.56 115.29 127.69 2k3a s HIS 153 Ca 0.44 0.21 -0.11 0.00 -0.15 0.00 0.00 55.06 55.45 2k3a s HIS 153 Cb -0.10 -1.93 -0.05 0.00 1.11 0.00 0.00 32.58 31.60 2k3a s HIS 153 CO 0.22 0.40 0.18 -0.51 -0.85 0.00 0.00 174.74 174.18 2k3a s LEU 154 N -0.42 4.08 0.00 0.89 1.43 -1.26 -2.70 118.68 120.70 2k3a s LEU 154 Ca 0.09 0.08 0.25 0.00 -1.03 0.00 0.00 54.13 53.53 2k3a s LEU 154 Cb -0.12 -2.12 0.49 0.00 0.03 0.00 0.00 46.19 44.46 2k3a s LEU 154 CO 0.02 0.02 1.43 0.59 0.23 0.00 0.00 176.35 178.64