#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 3.67 -0.62 3.17 1.02 -1.26 -4.99 119.74 120.73 2k3a s LYS 2 Ca 0.00 1.59 -0.22 0.00 0.02 0.00 0.00 55.97 57.36 2k3a s LYS 2 Cb 0.00 -2.21 0.07 0.00 -0.52 0.00 0.00 37.83 35.17 2k3a s LYS 2 CO 0.00 -0.58 0.89 0.15 -0.92 0.00 0.00 175.35 174.89 2k3a s LYS 3 N -3.00 3.12 -0.14 1.68 -0.14 -1.26 -4.86 119.74 115.15 2k3a s LYS 3 Ca 0.67 -0.86 0.10 0.00 -1.36 0.00 0.00 55.97 54.52 2k3a s LYS 3 Cb -0.23 -4.20 0.54 0.00 -1.68 0.00 0.00 37.83 32.25 2k3a s LYS 3 CO 0.28 -1.68 1.34 1.28 -0.76 0.00 0.00 175.35 175.81 2k3a n LEU 4 N 7.31 3.98 -4.39 3.17 7.99 -1.26 -4.85 117.00 128.94 2k3a n LEU 4 Ca -0.04 -2.02 -0.35 0.00 -0.01 0.00 0.00 56.01 53.59 2k3a n LEU 4 Cb 0.45 -0.59 -0.13 0.00 -0.11 0.00 0.00 43.42 43.04 2k3a n LEU 4 CO 0.62 0.53 -0.35 0.54 -1.51 0.00 0.00 177.39 177.22 2k3a s VAL 5 N -2.07 3.73 -0.38 4.08 0.11 -1.26 -5.06 120.40 119.56 2k3a s VAL 5 Ca 0.36 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 2k3a s VAL 5 Cb 0.27 -2.70 0.13 0.00 -1.53 0.00 0.00 36.38 32.55 2k3a s VAL 5 CO 0.12 0.42 0.21 -0.89 -3.33 0.00 0.00 175.10 171.63 2k3a s THR 6 N 1.24 0.61 -0.43 5.04 2.01 -1.26 -5.10 115.64 117.75 2k3a s THR 6 Ca 0.03 -1.93 -0.12 0.00 0.31 0.00 0.00 61.69 59.98 2k3a s THR 6 Cb -0.15 -1.44 0.07 0.00 0.01 0.00 0.00 72.50 70.99 2k3a s THR 6 CO 0.00 -0.93 0.30 0.00 -0.69 0.00 0.00 174.62 173.31 2k3a s ALA 7 N 0.91 3.40 0.37 7.40 0.00 -1.26 -5.04 121.76 127.54 2k3a s ALA 7 Ca 0.17 -2.05 -0.12 0.00 0.00 0.00 0.00 51.96 49.96 2k3a s ALA 7 Cb -0.23 -2.81 0.04 0.00 0.00 0.00 0.00 23.12 20.12 2k3a s ALA 7 CO -0.03 -1.63 0.71 -0.08 0.00 0.00 0.00 175.76 174.73 2k3a s THR 8 N 1.54 0.00 -0.01 0.00 -1.32 -1.26 -5.19 115.64 109.40 2k3a s THR 8 Ca 0.03 -1.16 -0.04 0.00 -1.21 0.00 0.00 61.69 59.31 2k3a s THR 8 Cb -0.23 -2.81 -0.00 0.00 -1.51 0.00 0.00 72.50 67.95 2k3a s THR 8 CO 0.05 0.00 0.08 0.42 -2.21 0.00 0.00 174.62 172.96 2k3a s THR 9 N -2.52 0.06 1.10 5.08 -4.23 -1.26 -5.16 115.64 108.71 2k3a s THR 9 Ca 0.19 -0.52 -0.13 0.00 -1.18 0.00 0.00 61.69 60.05 2k3a s THR 9 Cb -0.04 -0.29 0.24 0.00 1.34 0.00 0.00 72.50 73.76 2k3a s THR 9 CO 0.14 -0.29 1.06 -1.48 -0.54 0.00 0.00 174.62 173.51 2k3a s LEU 10 N -0.93 1.07 -0.88 4.79 0.05 -1.26 -4.89 118.68 116.63 2k3a s LEU 10 Ca -0.10 1.23 -0.25 0.00 0.05 0.00 0.00 54.13 55.07 2k3a s LEU 10 Cb -0.06 -3.23 -0.01 0.00 -2.05 0.00 0.00 46.19 40.83 2k3a s LEU 10 CO 0.00 -3.74 1.77 -0.89 -0.55 0.00 0.00 176.35 172.95 2k3a s THR 11 N -2.76 3.57 -1.12 5.48 2.01 -1.26 -4.90 115.64 116.66 2k3a s THR 11 Ca 0.67 -0.35 -0.22 0.00 0.31 0.00 0.00 61.69 62.10 2k3a s THR 11 Cb -0.20 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 67.97 2k3a s THR 11 CO 0.60 -1.24 1.83 0.00 -0.69 0.00 0.00 174.62 175.12 2k3a s ALA 12 N 8.42 2.21 -1.17 7.40 0.00 -1.26 -4.90 121.76 132.45 2k3a s ALA 12 Ca 0.62 -2.17 -0.20 0.00 0.00 0.00 0.00 51.96 50.20 2k3a s ALA 12 Cb -0.06 -4.62 0.04 0.00 0.00 0.00 0.00 23.12 18.48 2k3a s ALA 12 CO 0.01 -4.50 1.67 0.20 0.00 0.00 0.00 175.76 173.13 2k3a s GLY 13 N 6.18 1.30 -0.23 0.00 0.00 -1.26 -4.95 107.32 108.36 2k3a s GLY 13 Ca 0.63 -2.55 -0.28 0.00 0.00 0.00 0.00 44.72 42.51 2k3a s GLY 13 CO 0.06 2.83 2.14 -1.50 0.00 0.00 0.00 173.10 176.62 2k3a s ILE 14 N 5.40 3.10 -1.41 0.90 1.10 -1.26 -4.87 121.20 124.15 2k3a s ILE 14 Ca 0.53 0.10 -0.14 0.00 -0.51 0.00 0.00 60.65 60.64 2k3a s ILE 14 Cb 0.02 -3.13 -0.01 0.00 0.15 0.00 0.00 42.46 39.48 2k3a s ILE 14 CO 0.02 -0.08 2.37 0.61 -2.11 0.00 0.00 174.94 175.75 2k3a n GLY 15 N 5.67 4.14 1.89 1.50 0.00 -1.26 -4.64 105.19 112.48 2k3a n GLY 15 Ca 0.28 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 2k3a n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3a n ALA 16 N 5.57 4.58 -2.68 4.61 0.00 -1.26 -4.91 120.51 126.42 2k3a n ALA 16 Ca 0.58 -2.11 -0.42 0.00 0.00 0.00 0.00 53.44 51.49 2k3a n ALA 16 Cb 0.34 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 2k3a n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3a s ALA 17 N -2.63 2.91 -0.12 0.00 0.00 -1.26 -5.01 121.76 115.65 2k3a s ALA 17 Ca 0.46 -1.56 -0.27 0.00 0.00 0.00 0.00 51.96 50.59 2k3a s ALA 17 Cb 0.38 -4.09 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 2k3a s ALA 17 CO 0.10 -3.07 0.88 0.42 0.00 0.00 0.00 175.76 174.10 2k3a s ILE 18 N 5.03 4.87 -0.13 0.00 1.09 -1.26 -5.06 121.20 125.75 2k3a s ILE 18 Ca 0.30 1.77 -0.00 0.00 -1.10 0.00 0.00 60.65 61.62 2k3a s ILE 18 Cb -0.12 -4.20 -0.02 0.00 -1.06 0.00 0.00 42.46 37.07 2k3a s ILE 18 CO 0.13 0.06 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.22 2k3a s VAL 19 N 1.81 3.11 -0.18 2.92 1.01 -1.26 -5.10 120.40 122.71 2k3a s VAL 19 Ca 0.43 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 2k3a s VAL 19 Cb -0.18 -2.30 0.06 0.00 0.00 0.00 0.00 36.38 33.96 2k3a s VAL 19 CO 0.16 0.53 0.07 -0.83 0.00 0.00 0.00 175.10 175.03 2k3a s GLY 20 N 0.28 0.48 0.53 4.51 0.00 -1.26 -5.15 107.32 106.71 2k3a s GLY 20 Ca -0.09 -0.44 0.04 0.00 0.00 0.00 0.00 44.72 44.23 2k3a s GLY 20 CO 0.05 1.62 0.74 0.48 0.00 0.00 0.00 173.10 175.98 2k3a s LEU 21 N 2.04 3.34 0.12 0.66 0.05 -1.26 -5.14 118.68 118.50 2k3a s LEU 21 Ca 0.01 -0.26 -0.03 0.00 0.05 0.00 0.00 54.13 53.90 2k3a s LEU 21 Cb -0.16 -2.59 -0.03 0.00 -2.05 0.00 0.00 46.19 41.36 2k3a s LEU 21 CO -0.09 -1.12 0.09 -0.62 -0.55 0.00 0.00 176.35 174.06 2k3a s ASP 22 N -4.46 0.28 -0.08 1.48 2.15 -1.26 -5.17 116.67 109.62 2k3a s ASP 22 Ca 0.58 -1.10 0.02 0.00 0.43 0.00 0.00 52.55 52.49 2k3a s ASP 22 Cb -0.09 0.31 -0.02 0.00 -0.30 0.00 0.00 42.92 42.81 2k3a s ASP 22 CO 0.37 -0.74 -0.14 -1.38 -0.17 0.00 0.00 175.17 173.12 2k3a s HIS 23 N -4.01 2.73 -0.03 -5.34 -3.43 -1.26 -5.13 115.29 98.82 2k3a s HIS 23 Ca 0.19 -0.34 0.02 0.00 -0.80 0.00 0.00 55.06 54.13 2k3a s HIS 23 Cb 0.07 -1.70 0.01 0.00 -1.43 0.00 0.00 32.58 29.53 2k3a s HIS 23 CO -0.01 0.04 -0.07 0.20 -2.00 0.00 0.00 174.74 172.90 2k3a s GLY 24 N -0.35 0.48 -0.29 -1.38 0.00 -1.26 -4.98 107.32 99.55 2k3a s GLY 24 Ca 0.03 -0.22 -0.13 0.00 0.00 0.00 0.00 44.72 44.40 2k3a s GLY 24 CO 0.02 0.10 0.30 -2.01 0.00 0.00 0.00 173.10 171.51 2k3a n ASN 25 N 3.55 -7.04 -4.20 1.64 5.15 -1.26 -4.96 115.26 108.14 2k3a n ASN 25 Ca -0.21 0.58 -0.40 0.00 -0.60 0.00 0.00 54.58 53.96 2k3a n ASN 25 Cb 0.53 -3.50 -0.09 0.00 -0.53 0.00 0.00 39.78 36.19 2k3a n ASN 25 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k3a s GLU 26 N -1.89 2.38 -0.12 1.20 2.02 -1.26 -5.05 118.70 115.98 2k3a s GLU 26 Ca 0.15 -1.74 -0.30 0.00 0.02 0.00 0.00 54.97 53.10 2k3a s GLU 26 Cb -0.03 -3.82 0.08 0.00 0.10 0.00 0.00 34.13 30.46 2k3a s GLU 26 CO 0.60 -1.13 0.75 0.00 0.02 0.00 0.00 175.26 175.50 2k3a s ALA 27 N 1.31 -1.81 0.09 5.21 0.00 -1.26 -5.19 121.76 120.12 2k3a s ALA 27 Ca 0.06 1.51 -0.15 0.00 0.00 0.00 0.00 51.96 53.37 2k3a s ALA 27 Cb -0.25 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.52 2k3a s ALA 27 CO -0.01 -0.35 0.37 0.16 0.00 0.00 0.00 175.76 175.93 2k3a s ASP 28 N -0.85 -0.19 -0.22 0.00 1.47 -1.26 -5.15 116.67 110.47 2k3a s ASP 28 Ca -0.07 -0.26 -0.03 0.00 1.18 0.00 0.00 52.55 53.36 2k3a s ASP 28 Cb -0.01 0.43 0.11 0.00 -0.34 0.00 0.00 42.92 43.11 2k3a s ASP 28 CO 0.06 -0.76 0.27 0.00 0.68 0.00 0.00 175.17 175.42 2k3a s ALA 29 N -3.33 -0.50 -0.22 2.11 0.00 -1.26 -5.13 121.76 113.43 2k3a s ALA 29 Ca 0.00 0.38 -0.03 0.00 0.00 0.00 0.00 51.96 52.31 2k3a s ALA 29 Cb 0.01 -1.45 0.07 0.00 0.00 0.00 0.00 23.12 21.75 2k3a s ALA 29 CO -0.08 -1.27 0.05 0.00 0.00 0.00 0.00 175.76 174.46 2k3a s ALA 30 N 2.39 1.06 -1.07 0.00 0.00 -1.26 -5.06 121.76 117.82 2k3a s ALA 30 Ca 0.09 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 50.93 2k3a s ALA 30 Cb -0.16 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.70 2k3a s ALA 30 CO -0.15 -1.30 1.69 -2.00 0.00 0.00 0.00 175.76 174.01 2k3a s GLU 31 N 1.84 3.28 0.12 0.00 2.56 -1.26 -4.83 118.70 120.39 2k3a s GLU 31 Ca 0.02 -1.10 -0.24 0.00 0.00 0.00 0.00 54.97 53.65 2k3a s GLU 31 Cb -0.17 -5.31 0.08 0.00 2.00 0.00 0.00 34.13 30.73 2k3a s GLU 31 CO -0.13 -2.73 1.11 0.00 -0.56 0.00 0.00 175.26 172.94 2k3a n GLN 32 N 8.71 0.49 -1.95 4.30 10.64 -1.26 -5.13 117.38 133.18 2k3a n GLN 32 Ca 0.40 -1.24 -0.42 0.00 -1.83 0.00 0.00 57.00 53.91 2k3a n GLN 32 Cb 0.48 1.76 -0.03 0.00 -0.86 0.00 0.00 30.24 31.59 2k3a n GLN 32 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2k3a s THR 33 N -2.05 2.62 0.54 -0.39 -4.23 -1.26 -4.98 115.64 105.89 2k3a s THR 33 Ca 0.25 0.46 -0.22 0.00 -1.18 0.00 0.00 61.69 61.00 2k3a s THR 33 Cb -0.02 -3.29 -0.05 0.00 1.34 0.00 0.00 72.50 70.47 2k3a s THR 33 CO 0.03 0.04 1.37 -1.10 -0.54 0.00 0.00 174.62 174.43 2k3a s GLN 34 N 0.76 3.19 -0.75 3.99 -0.21 -1.26 -4.81 119.66 120.58 2k3a s GLN 34 Ca 0.67 2.27 -0.24 0.00 0.02 0.00 0.00 55.36 58.08 2k3a s GLN 34 Cb -0.43 -2.30 -0.16 0.00 1.00 0.00 0.00 33.01 31.12 2k3a s GLN 34 CO 0.34 -1.16 2.42 -2.30 -2.12 0.00 0.00 175.29 172.47 2k3a n PRO 35 N -0.95 0.56 -2.65 2.91 -0.02 -1.26 -4.86 135.00 128.74 2k3a n PRO 35 Ca 0.10 -0.30 -0.43 0.00 -2.02 0.00 0.00 63.50 60.84 2k3a n PRO 35 Cb 0.44 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.03 2k3a n PRO 35 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2k3a n THR 36 N 7.85 4.15 -2.49 3.45 -2.24 -1.26 -4.97 114.28 118.77 2k3a n THR 36 Ca 0.49 -4.40 -0.42 0.00 -2.27 0.00 0.00 64.05 57.45 2k3a n THR 36 Cb 0.37 -2.43 -0.02 0.00 -2.10 0.00 0.00 70.33 66.15 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 2.73 6.39 0.28 3.42 2.47 -1.26 -4.91 114.94 124.06 2k3a s ASN 37 Ca 0.45 0.39 0.02 0.00 0.42 0.00 0.00 52.86 54.14 2k3a s ASN 37 Cb 0.02 -2.55 0.64 0.00 -1.45 0.00 0.00 41.25 37.92 2k3a s ASN 37 CO 0.01 -1.47 1.73 1.56 -3.72 0.00 0.00 177.10 175.21 2k3a h GLN 38 N 10.09 0.52 -4.09 0.43 7.50 -2.02 -3.27 115.11 124.27 2k3a h GLN 38 Ca -0.25 -0.03 -0.74 0.00 0.50 0.00 0.00 58.65 58.13 2k3a h GLN 38 Cb 1.08 -0.12 -0.29 0.00 0.05 0.00 0.00 27.48 28.20 2k3a h GLN 38 CO 1.15 0.35 -0.28 -1.12 -1.50 0.00 0.00 178.83 177.42 2k3a s SER 39 N -5.31 5.88 -0.79 1.46 0.01 -1.26 -5.02 113.70 108.66 2k3a s SER 39 Ca -0.12 -2.16 -0.26 0.00 1.31 0.00 0.00 55.95 54.72 2k3a s SER 39 Cb 0.24 -2.05 -0.13 0.00 0.21 0.00 0.00 66.02 64.28 2k3a s SER 39 CO 0.78 -0.65 2.40 -0.89 0.41 0.00 0.00 173.24 175.29 2k3a s THR 40 N 0.99 3.02 0.33 1.44 2.01 -1.23 -4.81 115.64 117.39 2k3a s THR 40 Ca 0.09 -0.02 -0.18 0.00 0.31 0.00 0.00 61.69 61.89 2k3a s THR 40 Cb -0.23 -3.05 0.06 0.00 0.01 0.00 0.00 72.50 69.28 2k3a s THR 40 CO -0.02 -0.05 0.85 0.28 -0.69 0.00 0.00 174.62 174.99 2k3a s THR 41 N 14.65 0.00 0.14 -0.82 -1.32 -1.26 -5.20 115.64 121.83 2k3a s THR 41 Ca 0.92 -0.90 0.02 0.00 -1.21 0.00 0.00 61.69 60.52 2k3a s THR 41 Cb -0.13 -2.82 -0.01 0.00 -1.51 0.00 0.00 72.50 68.04 2k3a s THR 41 CO 0.08 0.00 0.06 0.00 -2.21 0.00 0.00 174.62 172.55 2k3a n GLN 42 N -0.56 0.72 -3.23 7.08 -0.00 -1.26 -5.16 117.38 114.96 2k3a n GLN 42 Ca -0.07 -1.18 -0.08 0.00 -0.00 0.00 0.00 57.00 55.68 2k3a n GLN 42 Cb 0.60 0.68 0.01 0.00 -0.00 0.00 0.00 30.24 31.53 2k3a n GLN 42 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2k3a n SER 43 N -1.97 -1.64 -4.57 2.61 3.41 -1.26 -5.11 113.62 105.09 2k3a n SER 43 Ca -0.01 -2.30 -0.42 0.00 -0.26 0.00 0.00 58.87 55.88 2k3a n SER 43 Cb 0.21 2.78 -0.03 0.00 -0.26 0.00 0.00 64.21 66.91 2k3a n SER 43 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2k3a s THR 44 N -2.40 3.87 -0.27 6.66 -4.23 -1.26 -5.00 115.64 113.02 2k3a s THR 44 Ca 0.15 0.71 -0.23 0.00 -1.18 0.00 0.00 61.69 61.13 2k3a s THR 44 Cb -0.03 -4.70 -0.01 0.00 1.34 0.00 0.00 72.50 69.10 2k3a s THR 44 CO 0.11 -1.43 0.75 -0.94 -0.54 0.00 0.00 174.62 172.57 2k3a s SER 45 N 3.61 6.70 0.00 3.99 1.04 -1.26 -5.01 113.70 122.77 2k3a s SER 45 Ca 0.44 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.68 2k3a s SER 45 Cb -0.08 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2k3a s SER 45 CO 0.22 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2k3a n GLY 46 N 4.02 0.77 3.65 7.32 0.00 -1.26 -5.10 105.19 114.59 2k3a n GLY 46 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.00 3.79 -0.25 1.61 0.15 -1.26 -4.99 113.70 111.74 2k3a s SER 47 Ca 0.00 -1.50 0.02 0.00 0.70 0.00 0.00 55.95 55.18 2k3a s SER 47 Cb 0.00 0.03 -0.17 0.00 -1.71 0.00 0.00 66.02 64.17 2k3a s SER 47 CO 0.00 -0.64 -0.21 -1.54 1.20 0.00 0.00 173.24 172.04 2k3a n SER 48 N -1.08 1.97 -4.32 5.45 3.41 -1.26 -5.04 113.62 112.75 2k3a n SER 48 Ca -0.10 -0.13 -0.17 0.00 -0.26 0.00 0.00 58.87 58.21 2k3a n SER 48 Cb 0.67 -0.35 -0.10 0.00 -0.26 0.00 0.00 64.21 64.16 2k3a n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k3a s ALA 49 N -2.51 1.75 -0.28 7.33 0.00 -1.26 -5.10 121.76 121.70 2k3a s ALA 49 Ca -0.33 -1.75 -0.28 0.00 0.00 0.00 0.00 51.96 49.59 2k3a s ALA 49 Cb 0.09 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 2k3a s ALA 49 CO 0.59 -0.26 1.84 1.21 0.00 0.00 0.00 175.76 179.14 2k3a s ASN 50 N -3.29 5.93 0.16 0.00 3.84 -1.26 -4.87 114.94 115.45 2k3a s ASN 50 Ca 0.28 1.52 0.26 0.00 0.21 0.00 0.00 52.86 55.13 2k3a s ASN 50 Cb 0.06 -2.52 0.92 0.00 -0.55 0.00 0.00 41.25 39.15 2k3a s ASN 50 CO 0.08 -1.65 1.79 0.18 -2.79 0.00 0.00 177.10 174.72 2k3a n LEU 51 N 10.09 0.60 -4.97 3.21 4.77 -1.26 -4.87 117.00 124.56 2k3a n LEU 51 Ca 0.23 0.57 -0.27 0.00 -0.03 0.00 0.00 56.01 56.51 2k3a n LEU 51 Cb 0.46 -0.39 0.16 0.00 -2.33 0.00 0.00 43.42 41.32 2k3a n LEU 51 CO 0.67 -0.18 0.73 -0.31 -1.33 0.00 0.00 177.39 176.97 2k3a s TYR 52 N -3.10 1.37 0.09 -1.77 2.02 -1.26 -5.12 117.35 109.59 2k3a s TYR 52 Ca 0.11 -0.05 0.06 0.00 -0.37 0.00 0.00 57.07 56.81 2k3a s TYR 52 Cb 0.13 -3.60 -0.03 0.00 -0.40 0.00 0.00 41.96 38.06 2k3a s TYR 52 CO 0.55 -2.30 -0.15 -0.08 -1.57 0.00 0.00 175.55 171.99 2k3a s THR 53 N -3.56 1.28 0.30 -0.71 -1.32 -1.26 -4.99 115.64 105.38 2k3a s THR 53 Ca 0.72 -1.49 -0.29 0.00 -1.21 0.00 0.00 61.69 59.42 2k3a s THR 53 Cb -0.04 -1.31 -0.13 0.00 -1.51 0.00 0.00 72.50 69.51 2k3a s THR 53 CO 0.49 -0.27 1.30 0.00 -2.21 0.00 0.00 174.62 173.93 2k3a n ALA 54 N 0.98 1.05 0.00 11.08 0.00 -1.26 -2.27 120.51 130.09 2k3a n ALA 54 Ca -0.19 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2k3a n ALA 54 Cb 0.55 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 1.30 2.38 3.74 0.00 0.00 -1.26 -5.07 105.19 106.28 2k3a n GLY 55 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.11 4.75 0.24 1.61 -0.21 -0.96 -4.96 119.66 120.02 2k3a s GLN 56 Ca 0.00 1.44 -0.07 0.00 0.02 0.00 0.00 55.36 56.75 2k3a s GLN 56 Cb 0.00 -3.34 0.25 0.00 1.00 0.00 0.00 33.01 30.92 2k3a s GLN 56 CO 0.00 0.34 1.89 0.00 -2.12 0.00 0.00 175.29 175.40 2k3a h THR 58 N 1.14 0.73 -0.01 0.00 1.35 -1.93 -0.17 112.91 114.02 2k3a h THR 58 Ca 0.34 -0.18 0.03 0.00 -0.55 0.00 0.00 66.41 66.05 2k3a h THR 58 Cb -0.05 0.15 -0.03 0.00 -1.73 0.00 0.00 68.15 66.49 2k3a h THR 58 CO -0.10 0.10 -0.16 -0.25 -0.25 0.00 0.00 175.52 174.86 2k3a h TRP 59 N 0.53 -0.41 -0.16 4.73 7.01 -1.68 0.66 115.95 126.64 2k3a h TRP 59 Ca 0.41 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.39 2k3a h TRP 59 Cb 0.56 0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.80 2k3a h TRP 59 CO -0.13 -0.23 -0.01 -0.92 -2.79 0.00 0.00 178.44 174.36 2k3a h TYR 60 N -0.25 0.31 -0.43 2.65 3.20 -1.35 -3.09 116.97 118.01 2k3a h TYR 60 Ca 0.06 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2k3a h TYR 60 Cb 0.33 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 2k3a h TYR 60 CO -0.22 0.52 0.23 0.28 -1.64 0.00 0.00 178.16 177.34 2k3a h VAL 61 N 0.01 1.14 -0.50 1.81 2.07 -0.97 -2.37 116.25 117.44 2k3a h VAL 61 Ca 0.04 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.28 2k3a h VAL 61 Cb 0.41 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 2k3a h VAL 61 CO 0.01 0.15 0.16 0.22 0.02 0.00 0.00 177.57 178.13 2k3a h TYR 62 N 0.59 0.27 -0.31 1.57 3.20 -0.78 0.17 116.97 121.69 2k3a h TYR 62 Ca 0.15 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.90 2k3a h TYR 62 Cb 0.03 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 2k3a h TYR 62 CO 0.00 0.07 -0.40 0.22 -1.64 0.00 0.00 178.16 176.42 2k3a h ASP 63 N 0.32 0.88 -0.07 -2.11 3.58 -1.49 0.12 116.42 117.65 2k3a h ASP 63 Ca 0.25 -0.49 -0.02 0.00 0.42 0.00 0.00 57.03 57.18 2k3a h ASP 63 Cb 0.28 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2k3a h ASP 63 CO -0.27 1.20 -0.00 0.11 -2.88 0.00 0.00 179.24 177.40 2k3a h LYS 64 N 0.59 0.22 -0.27 0.28 1.79 -0.93 -0.98 116.57 117.27 2k3a h LYS 64 Ca 0.04 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2k3a h LYS 64 Cb 0.99 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2k3a h LYS 64 CO 0.09 0.24 0.00 1.55 -1.08 0.00 0.00 179.45 180.26 2k3a n VAL 65 N -4.40 0.35 -1.01 0.50 3.14 0.57 -4.92 118.33 112.55 2k3a n VAL 65 Ca -0.01 -0.46 -0.00 0.00 -2.96 0.00 0.00 64.34 60.92 2k3a n VAL 65 Cb 0.16 0.41 -0.00 0.00 -1.06 0.00 0.00 33.84 33.35 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 1.18 0.32 2.38 7.55 0.00 -0.37 -2.94 105.19 113.31 2k3a n GLY 66 Ca 0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 2k3a n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3a n GLY 67 N -1.39 0.79 1.09 -0.02 0.00 0.38 -4.89 105.19 101.15 2k3a n GLY 67 Ca -0.00 -0.32 -0.03 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 -0.02 2.86 -4.39 1.61 3.02 -1.15 -4.80 115.26 112.39 2k3a n ASN 68 Ca -0.06 -2.21 -0.20 0.00 -0.03 0.00 0.00 54.58 52.08 2k3a n ASN 68 Cb 0.30 -0.54 -0.10 0.00 -0.61 0.00 0.00 39.78 38.83 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 -0.60 1.76 -1.11 2.41 -4.36 -1.26 -5.01 121.20 113.03 2k3a s ILE 69 Ca 0.08 -2.20 -0.22 0.00 -0.26 0.00 0.00 60.65 58.05 2k3a s ILE 69 Cb 0.07 -2.21 -0.10 0.00 1.25 0.00 0.00 42.46 41.46 2k3a s ILE 69 CO 0.02 -0.47 1.93 0.61 0.24 0.00 0.00 174.94 177.26 2k3a n GLY 70 N -0.47 1.35 0.48 6.27 0.00 -1.26 -4.67 105.19 106.88 2k3a n GLY 70 Ca -0.07 -0.81 0.29 0.00 0.00 0.00 0.00 46.02 45.43 2k3a n GLY 70 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2k3a h SER 71 N 9.29 0.00 0.07 1.61 0.87 -1.94 -0.44 113.55 123.01 2k3a h SER 71 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2k3a h SER 71 Cb 0.88 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2k3a h SER 71 CO 1.38 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 177.68 2k3a h THR 72 N 0.00 0.00 -0.58 2.23 1.03 -1.96 -2.54 112.91 111.09 2k3a h THR 72 Ca 0.42 -0.03 0.11 0.00 -0.01 0.00 0.00 66.41 66.90 2k3a h THR 72 Cb 1.89 0.84 -0.03 0.00 -1.07 0.00 0.00 68.15 69.77 2k3a h THR 72 CO -0.00 0.00 0.39 -0.50 -0.01 0.00 0.00 175.52 175.40 2k3a h TRP 73 N 0.00 0.35 0.00 0.00 6.55 -1.48 -3.46 115.95 117.91 2k3a h TRP 73 Ca 0.00 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.85 2k3a h TRP 73 Cb 0.03 -0.11 0.00 0.00 -0.86 0.00 0.00 29.16 28.22 2k3a h TRP 73 CO 0.00 0.16 0.00 0.41 -1.05 0.00 0.00 178.44 177.96 2k3a n GLY 74 N -1.54 1.47 3.67 1.49 0.00 -0.96 -4.82 105.19 104.50 2k3a n GLY 74 Ca 0.10 0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 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 9.77 2.83 0.17 1.61 4.13 -1.26 -4.86 115.26 127.65 2k3a n ASN 75 Ca 0.00 1.13 0.16 0.00 1.68 0.00 0.00 54.58 57.55 2k3a n ASN 75 Cb 0.00 -1.43 0.77 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 4.56 1.99 -0.25 5.41 0.00 -1.82 -0.74 119.26 128.40 2k3a h ALA 76 Ca -0.45 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 2k3a h ALA 76 Cb 1.27 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2k3a h ALA 76 CO 0.78 -0.31 -0.24 -2.95 0.00 0.00 0.00 179.25 176.54 2k3a h ASN 77 N 0.00 0.47 0.60 0.00 7.08 -1.60 -3.14 115.58 118.99 2k3a h ASN 77 Ca 0.10 -0.15 -0.11 0.00 -3.08 0.00 0.00 56.30 53.06 2k3a h ASN 77 Cb 0.49 -0.13 -0.02 0.00 -2.08 0.00 0.00 38.32 36.59 2k3a h ASN 77 CO -0.00 0.71 -0.53 -1.13 -2.08 0.00 0.00 177.43 174.40 2k3a h ASN 78 N 0.42 0.00 -0.64 6.14 -1.24 -1.42 -3.37 115.58 115.47 2k3a h ASN 78 Ca 0.06 0.00 0.06 0.00 0.71 0.00 0.00 56.30 57.14 2k3a h ASN 78 Cb 0.64 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 39.60 2k3a h ASN 78 CO 0.05 0.53 -0.56 -0.50 -1.29 0.00 0.00 177.43 175.65 2k3a h TRP 79 N 0.00 -1.75 -0.52 0.67 4.06 -1.57 0.23 115.95 117.07 2k3a h TRP 79 Ca -0.01 0.10 0.04 0.00 2.06 0.00 0.00 58.89 61.08 2k3a h TRP 79 Cb 0.97 0.85 -0.04 0.00 -1.00 0.00 0.00 29.16 29.93 2k3a h TRP 79 CO 0.00 -0.43 0.29 0.00 -3.56 0.00 0.00 178.44 174.74 2k3a h ALA 80 N 0.15 0.67 0.38 1.49 0.00 -1.80 0.94 119.26 121.09 2k3a h ALA 80 Ca 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2k3a h ALA 80 Cb 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2k3a h ALA 80 CO -0.72 -0.04 -0.18 1.03 0.00 0.00 0.00 179.25 179.34 2k3a h SER 81 N 0.56 -0.44 -0.60 0.00 0.87 -1.47 -2.46 113.55 110.00 2k3a h SER 81 Ca 0.22 -0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2k3a h SER 81 Cb 0.09 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 2k3a h SER 81 CO -0.13 -0.12 0.40 0.00 -0.53 0.00 0.00 176.83 176.45 2k3a h ALA 82 N -0.27 1.62 -0.22 6.23 0.00 -0.57 -1.72 119.26 124.33 2k3a h ALA 82 Ca -0.05 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2k3a h ALA 82 Cb 0.52 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2k3a h ALA 82 CO 0.09 0.34 0.03 0.00 0.00 0.00 0.00 179.25 179.71 2k3a h ALA 83 N 1.64 0.22 0.00 0.00 0.00 -0.71 0.44 119.26 120.84 2k3a h ALA 83 Ca 0.23 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2k3a h ALA 83 Cb -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2k3a h ALA 83 CO -0.06 -0.39 -0.31 0.66 0.00 0.00 0.00 179.25 179.15 2k3a h SER 84 N 0.12 0.00 0.73 0.00 4.64 -0.94 0.34 113.55 118.43 2k3a h SER 84 Ca 0.10 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.23 2k3a h SER 84 Cb 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2k3a h SER 84 CO -0.14 0.31 -0.88 -1.28 -0.87 0.00 0.00 176.83 173.97 2k3a h SER 85 N 0.00 0.12 0.97 4.97 0.87 -0.65 -3.30 113.55 116.53 2k3a h SER 85 Ca -0.00 -0.11 -0.12 0.00 -1.23 0.00 0.00 61.79 60.33 2k3a h SER 85 Cb 0.56 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 2k3a h SER 85 CO 0.04 0.94 -1.09 0.00 -0.53 0.00 0.00 176.83 176.19 2k3a h ALA 86 N 1.05 0.64 0.00 6.23 0.00 0.27 -3.48 119.26 123.97 2k3a h ALA 86 Ca -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2k3a h ALA 86 Cb 1.53 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2k3a h ALA 86 CO 0.12 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.46 2k3a n GLY 87 N 1.31 1.11 3.67 0.00 0.00 0.27 -5.08 105.19 106.48 2k3a n GLY 87 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 2.09 -0.59 1.61 1.51 0.93 -4.97 117.35 115.93 2k3a s TYR 88 Ca 0.00 1.06 -0.14 0.00 -1.01 0.00 0.00 57.07 56.98 2k3a s TYR 88 Cb 0.00 -3.23 0.15 0.00 -0.11 0.00 0.00 41.96 38.76 2k3a s TYR 88 CO 0.00 -2.86 0.53 0.99 -1.11 0.00 0.00 175.55 173.10 2k3a s THR 89 N -2.93 5.12 -0.61 -0.71 2.01 -1.16 -4.43 115.64 112.93 2k3a s THR 89 Ca 0.65 -1.75 -0.13 0.00 0.31 0.00 0.00 61.69 60.77 2k3a s THR 89 Cb -0.19 -4.27 0.15 0.00 0.01 0.00 0.00 72.50 68.21 2k3a s THR 89 CO 0.58 -0.89 0.54 -0.69 -0.69 0.00 0.00 174.62 173.47 2k3a s VAL 90 N 1.26 4.98 0.41 3.82 1.01 -1.26 0.05 120.40 130.67 2k3a s VAL 90 Ca 0.06 -1.95 0.05 0.00 0.00 0.00 0.00 61.98 60.15 2k3a s VAL 90 Cb -0.26 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 2k3a s VAL 90 CO 0.00 -0.89 0.03 0.20 0.00 0.00 0.00 175.10 174.44 2k3a s ASN 91 N 2.77 3.49 0.00 3.32 0.01 -0.29 -4.88 114.94 119.37 2k3a s ASN 91 Ca 0.09 -1.45 0.24 0.00 -0.71 0.00 0.00 52.86 51.02 2k3a s ASN 91 Cb -0.23 -0.07 1.06 0.00 0.41 0.00 0.00 41.25 42.42 2k3a s ASN 91 CO -0.02 -0.61 1.73 0.59 -1.51 0.00 0.00 177.10 177.29 2k3a n ASN 92 N -0.99 1.07 -4.62 -1.22 5.03 -1.26 -0.06 115.26 113.20 2k3a n ASN 92 Ca -0.07 -1.50 -0.43 0.00 0.87 0.00 0.00 54.58 53.45 2k3a n ASN 92 Cb 0.67 -0.04 -0.03 0.00 -1.02 0.00 0.00 39.78 39.36 2k3a n ASN 92 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2k3a s SER 93 N -1.75 5.95 0.00 6.41 0.15 -1.26 -4.85 113.70 118.35 2k3a s SER 93 Ca 0.35 2.00 0.08 0.00 0.70 0.00 0.00 55.95 59.08 2k3a s SER 93 Cb 0.18 -2.52 0.38 0.00 -1.71 0.00 0.00 66.02 62.35 2k3a s SER 93 CO 0.29 -1.55 1.26 -0.81 1.20 0.00 0.00 173.24 173.62 2k3a n PRO 94 N 8.18 1.19 -1.60 5.44 -0.04 -1.26 -4.72 135.00 142.18 2k3a n PRO 94 Ca 0.24 -0.29 -0.45 0.00 -0.04 0.00 0.00 63.50 62.96 2k3a n PRO 94 Cb 0.44 -1.15 -0.02 0.00 -0.04 0.00 0.00 33.50 32.74 2k3a n PRO 94 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k3a n GLU 95 N -0.34 1.40 -1.01 0.54 4.07 -1.26 -4.82 120.64 119.23 2k3a n GLU 95 Ca 0.07 0.49 -0.34 0.00 -0.06 0.00 0.00 57.16 57.32 2k3a n GLU 95 Cb 0.09 -1.92 0.12 0.00 -0.06 0.00 0.00 31.44 29.67 2k3a n GLU 95 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k3a n ALA 96 N 0.57 -1.11 -2.42 4.31 0.00 -1.26 -3.84 120.51 116.75 2k3a n ALA 96 Ca 0.10 -0.41 -0.03 0.00 0.00 0.00 0.00 53.44 53.11 2k3a n ALA 96 Cb 0.31 -2.04 0.01 0.00 0.00 0.00 0.00 19.45 17.72 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 1.00 0.60 3.30 0.00 0.00 -0.63 -5.04 105.19 104.42 2k3a n GLY 97 Ca 0.11 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.98 1.49 -0.12 1.61 1.04 -1.25 -4.73 113.70 108.75 2k3a s SER 98 Ca 0.05 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 54.83 2k3a s SER 98 Cb -0.02 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.61 2k3a s SER 98 CO 0.06 -0.98 -0.12 -0.63 0.98 0.00 0.00 173.24 172.55 2k3a s ILE 99 N -3.58 1.33 -0.14 -1.02 1.01 -0.90 -0.76 121.20 117.14 2k3a s ILE 99 Ca 0.38 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.45 2k3a s ILE 99 Cb 0.04 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 2k3a s ILE 99 CO 0.22 0.42 0.12 -1.48 0.00 0.00 0.00 174.94 174.22 2k3a s LEU 100 N 1.41 4.26 -0.23 2.97 2.34 -0.65 -0.11 118.68 128.66 2k3a s LEU 100 Ca 0.01 0.36 -0.09 0.00 0.06 0.00 0.00 54.13 54.47 2k3a s LEU 100 Cb -0.13 -2.05 -0.04 0.00 -0.56 0.00 0.00 46.19 43.40 2k3a s LEU 100 CO -0.07 0.33 0.12 -1.58 -1.06 0.00 0.00 176.35 174.09 2k3a s GLN 101 N -0.56 3.97 0.14 1.48 0.74 0.12 -2.31 119.66 123.24 2k3a s GLN 101 Ca 0.12 -0.33 0.20 0.00 0.05 0.00 0.00 55.36 55.41 2k3a s GLN 101 Cb -0.12 -3.43 -0.06 0.00 1.10 0.00 0.00 33.01 30.51 2k3a s GLN 101 CO 0.02 0.05 0.95 0.45 -0.55 0.00 0.00 175.29 176.21 2k3a n SER 102 N 4.27 0.86 0.00 6.67 2.88 0.37 -3.22 113.62 125.45 2k3a n SER 102 Ca -0.15 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 2k3a n SER 102 Cb 0.52 0.33 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 2k3a n SER 102 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2k3a n THR 103 N -2.77 0.00 0.28 2.46 -2.24 -1.26 -4.56 114.28 106.20 2k3a n THR 103 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2k3a n THR 103 Cb 0.67 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 2k3a n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k3a n ALA 104 N 0.00 1.61 -0.94 6.98 0.00 -1.26 -3.00 120.51 123.90 2k3a n ALA 104 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2k3a n ALA 104 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 2k3a n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3a n GLY 105 N -0.29 3.69 5.38 0.00 0.00 -1.26 -4.92 105.19 107.79 2k3a n GLY 105 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 0.94 1.25 1.73 -0.02 0.00 -1.25 -3.14 105.19 104.70 2k3a n GLY 106 Ca 0.29 0.32 0.05 0.00 0.00 0.00 0.00 46.02 46.67 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 0.00 1.86 0.00 1.61 4.01 -1.26 -5.04 117.16 118.33 2k3a n TYR 107 Ca 0.00 -0.68 0.00 0.00 -0.16 0.00 0.00 57.90 57.06 2k3a n TYR 107 Cb 0.00 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 38.55 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 0.48 -0.32 3.54 2.72 0.00 -1.16 -1.72 105.19 108.71 2k3a n GLY 108 Ca 0.25 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.81 -0.80 0.01 1.61 2.46 -1.26 -4.34 115.29 111.15 2k3a s HIS 109 Ca 0.00 1.79 0.01 0.00 0.47 0.00 0.00 55.06 57.33 2k3a s HIS 109 Cb 0.00 0.37 -0.01 0.00 -0.13 0.00 0.00 32.58 32.82 2k3a s HIS 109 CO 0.00 -0.40 -0.04 0.14 -2.47 0.00 0.00 174.74 171.98 2k3a s VAL 110 N 0.90 0.26 0.05 0.89 -7.23 -1.26 -0.48 120.40 113.52 2k3a s VAL 110 Ca -0.04 -0.31 -0.00 0.00 -1.81 0.00 0.00 61.98 59.81 2k3a s VAL 110 Cb -0.05 -0.26 -0.03 0.00 0.56 0.00 0.00 36.38 36.60 2k3a s VAL 110 CO -0.08 -0.04 -0.04 0.00 -0.31 0.00 0.00 175.10 174.64 2k3a s ALA 111 N -0.35 0.44 -0.11 1.32 0.00 -0.98 -4.55 121.76 117.53 2k3a s ALA 111 Ca -0.02 -1.03 -0.15 0.00 0.00 0.00 0.00 51.96 50.77 2k3a s ALA 111 Cb -0.03 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 2k3a s ALA 111 CO -0.00 -0.28 0.35 -0.47 0.00 0.00 0.00 175.76 175.36 2k3a s TYR 112 N -3.08 3.55 -0.33 0.00 5.04 -1.23 -1.64 117.35 119.66 2k3a s TYR 112 Ca 0.00 0.76 -0.25 0.00 -2.44 0.00 0.00 57.07 55.13 2k3a s TYR 112 Cb 0.02 -2.35 0.01 0.00 0.35 0.00 0.00 41.96 39.99 2k3a s TYR 112 CO -0.06 0.35 0.89 0.08 -1.34 0.00 0.00 175.55 175.47 2k3a s VAL 113 N 0.03 4.67 -0.16 3.14 1.01 0.06 -0.03 120.40 129.13 2k3a s VAL 113 Ca 0.20 1.31 -0.15 0.00 0.00 0.00 0.00 61.98 63.34 2k3a s VAL 113 Cb -0.14 -4.26 -0.12 0.00 0.00 0.00 0.00 36.38 31.86 2k3a s VAL 113 CO 0.08 -0.38 0.10 -0.33 0.00 0.00 0.00 175.10 174.57 2k3a h GLU 114 N 8.21 0.00 -3.32 2.72 4.39 -1.55 -1.67 114.58 123.35 2k3a h GLU 114 Ca -0.23 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.31 2k3a h GLU 114 Cb 1.08 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.50 2k3a h GLU 114 CO 0.94 0.50 -0.46 1.21 -1.16 0.00 0.00 179.01 180.05 2k3a s ASN 115 N -6.21 -0.11 -0.09 1.42 2.47 -1.15 -4.66 114.94 106.61 2k3a s ASN 115 Ca -0.19 0.12 0.02 0.00 0.42 0.00 0.00 52.86 53.24 2k3a s ASN 115 Cb 0.03 0.32 -0.02 0.00 -1.45 0.00 0.00 41.25 40.13 2k3a s ASN 115 CO 0.39 -0.24 -0.16 -0.69 -3.72 0.00 0.00 177.10 172.68 2k3a s VAL 116 N -0.67 2.80 0.51 -5.21 1.01 -1.26 -0.85 120.40 116.73 2k3a s VAL 116 Ca -0.08 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 2k3a s VAL 116 Cb -0.04 -2.12 -0.08 0.00 0.00 0.00 0.00 36.38 34.14 2k3a s VAL 116 CO 0.01 0.55 1.01 0.20 0.00 0.00 0.00 175.10 176.88 2k3a s ASN 117 N -0.05 6.37 0.32 3.32 0.01 0.15 -4.95 114.94 120.12 2k3a s ASN 117 Ca -0.04 1.77 0.09 0.00 -0.71 0.00 0.00 52.86 53.98 2k3a s ASN 117 Cb -0.14 -2.54 0.90 0.00 0.41 0.00 0.00 41.25 39.88 2k3a s ASN 117 CO 0.04 -0.76 1.70 0.28 -1.51 0.00 0.00 177.10 176.85 2k3a h SER 118 N 1.19 0.53 0.96 -1.22 0.02 -2.00 0.20 113.55 113.23 2k3a h SER 118 Ca -0.48 0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.59 2k3a h SER 118 Cb 1.20 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 2k3a h SER 118 CO 0.60 0.01 -0.20 0.44 -1.14 0.00 0.00 176.83 176.53 2k3a h ASP 119 N 0.46 0.00 0.00 3.07 3.32 -2.04 -3.46 116.42 117.77 2k3a h ASP 119 Ca 0.65 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.70 2k3a h ASP 119 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2k3a h ASP 119 CO -0.53 0.20 0.00 0.61 -1.72 0.00 0.00 179.24 177.79 2k3a n GLY 120 N 0.16 0.72 3.65 2.75 0.00 0.70 -4.87 105.19 108.30 2k3a n GLY 120 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.16 6.51 -0.25 1.61 0.01 -1.24 -4.44 113.70 115.75 2k3a s SER 121 Ca 0.00 2.23 -0.14 0.00 1.31 0.00 0.00 55.95 59.35 2k3a s SER 121 Cb 0.00 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 2k3a s SER 121 CO 0.00 -1.06 0.33 -0.69 0.41 0.00 0.00 173.24 172.24 2k3a s VAL 122 N 4.52 5.22 -0.50 3.43 1.01 0.86 -0.67 120.40 134.27 2k3a s VAL 122 Ca 0.78 0.51 -0.18 0.00 0.00 0.00 0.00 61.98 63.10 2k3a s VAL 122 Cb -0.34 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.44 2k3a s VAL 122 CO 0.33 0.21 0.54 -1.61 0.00 0.00 0.00 175.10 174.57 2k3a s GLU 123 N 1.72 3.07 0.37 2.72 2.02 -0.03 -0.31 118.70 128.26 2k3a s GLU 123 Ca 0.14 -1.07 0.04 0.00 0.02 0.00 0.00 54.97 54.10 2k3a s GLU 123 Cb -0.15 -4.11 -0.01 0.00 0.10 0.00 0.00 34.13 29.95 2k3a s GLU 123 CO 0.09 -1.16 0.54 0.14 0.02 0.00 0.00 175.26 174.89 2k3a s VAL 124 N 2.27 4.25 -0.21 2.63 -7.23 -1.05 -1.39 120.40 119.67 2k3a s VAL 124 Ca 0.11 -0.77 -0.02 0.00 -1.81 0.00 0.00 61.98 59.49 2k3a s VAL 124 Cb -0.21 -3.52 0.01 0.00 0.56 0.00 0.00 36.38 33.22 2k3a s VAL 124 CO 0.10 -0.27 -0.10 -0.55 -0.31 0.00 0.00 175.10 173.96 2k3a s SER 125 N -4.16 3.86 0.44 4.85 0.15 0.96 -3.13 113.70 116.68 2k3a s SER 125 Ca 0.45 -0.57 0.03 0.00 0.70 0.00 0.00 55.95 56.56 2k3a s SER 125 Cb -0.10 -1.63 -0.03 0.00 -1.71 0.00 0.00 66.02 62.56 2k3a s SER 125 CO 0.34 -0.03 0.07 -1.61 1.20 0.00 0.00 173.24 173.21 2k3a s GLU 126 N 1.38 2.01 0.03 5.44 2.02 -0.22 -3.53 118.70 125.83 2k3a s GLU 126 Ca 0.05 -2.24 0.01 0.00 0.02 0.00 0.00 54.97 52.81 2k3a s GLU 126 Cb -0.14 -1.01 -0.02 0.00 0.10 0.00 0.00 34.13 33.06 2k3a s GLU 126 CO -0.07 -0.40 -0.05 1.41 0.02 0.00 0.00 175.26 176.17 2k3a s MET 127 N -3.78 0.40 0.00 1.61 -2.45 -1.26 -0.33 119.30 113.49 2k3a s MET 127 Ca 0.19 -0.66 0.00 0.00 -1.25 0.00 0.00 55.69 53.97 2k3a s MET 127 Cb 0.03 -0.07 0.00 0.00 1.25 0.00 0.00 34.83 36.04 2k3a s MET 127 CO 0.11 -0.00 0.00 -1.71 1.05 0.00 0.00 175.02 174.46 2k3a n ASN 128 N 1.58 0.00 -3.12 1.11 2.85 -1.21 -4.92 115.26 111.55 2k3a n ASN 128 Ca -0.23 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.07 2k3a n ASN 128 Cb 0.55 -0.03 0.16 0.00 1.24 0.00 0.00 39.78 41.70 2k3a n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k3a n TYR 129 N -0.40 -2.97 -1.51 1.20 9.36 -1.26 -4.49 117.16 117.09 2k3a n TYR 129 Ca 0.00 -0.44 -0.37 0.00 3.32 0.00 0.00 57.90 60.41 2k3a n TYR 129 Cb 0.00 -0.69 -0.13 0.00 -0.63 0.00 0.00 39.34 37.89 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 -4.49 0.63 0.00 2.98 4.13 -1.26 -2.99 115.26 114.25 2k3a n ASN 130 Ca 0.07 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.25 2k3a n ASN 130 Cb 0.33 -1.05 0.00 0.00 -1.54 0.00 0.00 39.78 37.51 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 6.31 0.46 0.00 7.41 0.00 -1.26 -4.54 105.19 113.58 2k3a n GLY 131 Ca 0.59 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 0.00 1.96 3.71 -0.02 0.00 -1.16 -4.92 105.19 104.76 2k3a n GLY 132 Ca 0.00 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 2k3a n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k3a s PRO 133 N -1.48 4.23 0.00 1.61 0.04 -1.26 -2.78 135.00 135.37 2k3a s PRO 133 Ca 0.00 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2k3a s PRO 133 Cb 0.00 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2k3a s PRO 133 CO 0.00 -0.60 0.00 1.19 0.04 0.00 0.00 177.00 177.63 2k3a n PHE 134 N 4.39 0.00 -2.24 0.56 3.72 -1.26 -4.94 117.46 117.69 2k3a n PHE 134 Ca 0.14 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.14 2k3a n PHE 134 Cb 0.40 -0.20 -0.02 0.00 -0.94 0.00 0.00 39.48 38.71 2k3a n PHE 134 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2k3a s SER 135 N -0.66 6.78 -0.20 4.37 0.01 -1.12 -4.87 113.70 118.02 2k3a s SER 135 Ca 0.00 2.50 -0.26 0.00 1.31 0.00 0.00 55.95 59.50 2k3a s SER 135 Cb 0.00 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 2k3a s SER 135 CO 0.00 -0.51 0.88 -0.69 0.41 0.00 0.00 173.24 173.33 2k3a s VAL 136 N -1.23 4.83 0.24 3.43 1.01 -1.26 -3.52 120.40 123.91 2k3a s VAL 136 Ca 0.51 1.71 -0.07 0.00 0.00 0.00 0.00 61.98 64.12 2k3a s VAL 136 Cb -0.35 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 31.79 2k3a s VAL 136 CO 0.46 -0.04 0.53 -0.55 0.00 0.00 0.00 175.10 175.50 2k3a s SER 137 N 1.21 6.54 -0.29 3.32 0.15 0.55 -4.90 113.70 120.28 2k3a s SER 137 Ca 0.39 0.80 0.01 0.00 0.70 0.00 0.00 55.95 57.85 2k3a s SER 137 Cb -0.16 -2.18 0.08 0.00 -1.71 0.00 0.00 66.02 62.06 2k3a s SER 137 CO 0.10 -0.11 0.03 -1.61 1.20 0.00 0.00 173.24 172.85 2k3a s GLU 138 N -3.10 1.30 -0.51 5.44 2.02 -1.26 -1.05 118.70 121.55 2k3a s GLU 138 Ca 0.45 -1.30 -0.19 0.00 0.02 0.00 0.00 54.97 53.95 2k3a s GLU 138 Cb -0.11 -2.61 0.06 0.00 0.10 0.00 0.00 34.13 31.57 2k3a s GLU 138 CO 0.25 -0.83 0.60 0.50 0.02 0.00 0.00 175.26 175.80 2k3a s ARG 139 N 1.30 3.10 -0.62 1.61 3.52 -1.18 -4.94 118.95 121.73 2k3a s ARG 139 Ca 0.04 -0.98 -0.28 0.00 -0.13 0.00 0.00 55.73 54.38 2k3a s ARG 139 Cb -0.18 -4.11 0.03 0.00 -1.56 0.00 0.00 34.95 29.12 2k3a s ARG 139 CO -0.12 -1.22 1.27 0.99 -0.81 0.00 0.00 175.30 175.41 2k3a s THR 140 N 2.49 3.88 -0.39 4.11 2.01 -1.26 -2.54 115.64 123.94 2k3a s THR 140 Ca 0.13 0.71 -0.20 0.00 0.31 0.00 0.00 61.69 62.65 2k3a s THR 140 Cb -0.20 -4.72 0.01 0.00 0.01 0.00 0.00 72.50 67.60 2k3a s THR 140 CO 0.11 -1.45 0.59 -0.63 -0.69 0.00 0.00 174.62 172.54 2k3a s ILE 141 N 5.44 4.92 0.72 1.82 1.01 0.58 -4.93 121.20 130.76 2k3a s ILE 141 Ca 0.43 0.24 -0.16 0.00 0.00 0.00 0.00 60.65 61.16 2k3a s ILE 141 Cb -0.08 -4.09 0.04 0.00 0.01 0.00 0.00 42.46 38.33 2k3a s ILE 141 CO 0.22 -0.41 1.24 -0.44 0.00 0.00 0.00 174.94 175.55 2k3a s SER 142 N 1.87 4.15 0.21 3.58 0.01 -1.26 -0.10 113.70 122.17 2k3a s SER 142 Ca 0.21 2.45 -0.11 0.00 1.31 0.00 0.00 55.95 59.81 2k3a s SER 142 Cb -0.15 -2.60 0.28 0.00 0.21 0.00 0.00 66.02 63.77 2k3a s SER 142 CO 0.16 -2.30 1.65 0.00 0.41 0.00 0.00 173.24 173.16 2k3a h ALA 143 N -0.19 0.56 -0.85 1.44 0.00 -1.90 0.53 119.26 118.86 2k3a h ALA 143 Ca -0.48 0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.68 2k3a h ALA 143 Cb 1.31 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 19.42 2k3a h ALA 143 CO 0.50 -0.41 0.56 0.78 0.00 0.00 0.00 179.25 180.68 2k3a h GLY 144 N 0.08 1.21 1.39 0.00 0.00 -1.94 -2.57 103.07 101.24 2k3a h GLY 144 Ca 0.32 -0.40 -0.19 0.00 0.00 0.00 0.00 47.33 47.06 2k3a h GLY 144 CO -0.56 0.32 -0.70 -2.09 0.00 0.00 0.00 176.54 173.50 2k3a h GLU 145 N 1.00 0.61 0.00 4.80 4.57 -1.32 -3.25 114.58 120.99 2k3a h GLU 145 Ca 0.35 -0.47 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 2k3a h GLU 145 Cb 0.12 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2k3a h GLU 145 CO -0.12 1.09 -0.09 0.00 -1.18 0.00 0.00 179.01 178.71 2k3a h ALA 146 N 0.79 1.24 0.00 2.92 0.00 -0.65 -3.16 119.26 120.40 2k3a h ALA 146 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k3a h ALA 146 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2k3a h ALA 146 CO 0.13 0.11 0.22 0.77 0.00 0.00 0.00 179.25 180.49 2k3a h SER 147 N 0.00 0.00 0.06 0.00 0.02 -1.55 -1.25 113.55 110.82 2k3a h SER 147 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3a h SER 147 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2k3a h SER 147 CO 0.01 0.00 -1.33 -0.24 -1.14 0.00 0.00 176.83 174.13 2k3a n SER 148 N -2.51 0.61 -4.83 3.07 2.88 -1.19 -4.99 113.62 106.66 2k3a n SER 148 Ca -0.02 -0.55 -0.36 0.00 -1.33 0.00 0.00 58.87 56.61 2k3a n SER 148 Cb 0.26 1.30 -0.06 0.00 -0.75 0.00 0.00 64.21 64.96 2k3a n SER 148 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2k3a s TYR 149 N -3.20 3.66 -0.33 0.66 2.02 -0.48 -4.99 117.35 114.70 2k3a s TYR 149 Ca 0.02 1.20 -0.12 0.00 -0.37 0.00 0.00 57.07 57.80 2k3a s TYR 149 Cb 0.15 -2.47 -0.02 0.00 -0.40 0.00 0.00 41.96 39.22 2k3a s TYR 149 CO 0.87 0.44 0.23 -0.80 -1.57 0.00 0.00 175.55 174.72 2k3a s ASN 150 N -1.57 6.04 -0.30 2.29 0.01 -1.20 -4.64 114.94 115.57 2k3a s ASN 150 Ca 0.37 -0.34 -0.13 0.00 -0.71 0.00 0.00 52.86 52.05 2k3a s ASN 150 Cb -0.16 -2.13 -0.03 0.00 0.41 0.00 0.00 41.25 39.33 2k3a s ASN 150 CO 0.20 -0.20 0.28 -0.31 -1.51 0.00 0.00 177.10 175.57 2k3a s TYR 151 N 1.73 3.23 -0.01 2.20 1.51 0.91 -0.70 117.35 126.21 2k3a s TYR 151 Ca 0.06 0.11 -0.25 0.00 -1.01 0.00 0.00 57.07 55.98 2k3a s TYR 151 Cb -0.17 -2.51 -0.04 0.00 -0.11 0.00 0.00 41.96 39.12 2k3a s TYR 151 CO 0.11 -0.27 0.78 0.42 -1.11 0.00 0.00 175.55 175.47 2k3a s ILE 152 N 1.89 4.88 0.10 2.71 1.09 0.85 -1.14 121.20 131.58 2k3a s ILE 152 Ca 0.10 1.63 0.10 0.00 -1.10 0.00 0.00 60.65 61.38 2k3a s ILE 152 Cb -0.16 -4.12 -0.04 0.00 -1.06 0.00 0.00 42.46 37.08 2k3a s ILE 152 CO 0.11 0.29 -0.25 -1.00 -0.10 0.00 0.00 174.94 173.98 2k3a s HIS 153 N 0.46 2.15 -0.10 3.97 3.76 0.11 -2.12 115.29 123.51 2k3a s HIS 153 Ca 0.40 -0.39 -0.16 0.00 -0.15 0.00 0.00 55.06 54.76 2k3a s HIS 153 Cb -0.19 -1.20 -0.05 0.00 1.11 0.00 0.00 32.58 32.25 2k3a s HIS 153 CO 0.22 0.25 0.42 -0.51 -0.85 0.00 0.00 174.74 174.27 2k3a s LEU 154 N -1.82 4.31 0.00 0.89 1.43 -1.26 -2.98 118.68 119.25 2k3a s LEU 154 Ca 0.11 0.77 0.32 0.00 -1.03 0.00 0.00 54.13 54.30 2k3a s LEU 154 Cb -0.10 -2.60 1.90 0.00 0.03 0.00 0.00 46.19 45.43 2k3a s LEU 154 CO 0.05 0.09 2.23 0.59 0.23 0.00 0.00 176.35 179.53