#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 0.19 -0.42 3.17 0.00 -1.26 -5.13 119.74 116.29 2k3a s LYS 2 Ca 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 55.97 56.32 2k3a s LYS 2 Cb 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 37.83 37.92 2k3a s LYS 2 CO 0.00 -0.10 0.20 -1.59 0.00 0.00 0.00 175.35 173.86 2k3a s LYS 3 N 0.67 1.95 -0.48 1.78 -2.85 -1.26 -5.04 119.74 114.50 2k3a s LYS 3 Ca -0.05 -1.91 -0.11 0.00 -1.00 0.00 0.00 55.97 52.90 2k3a s LYS 3 Cb -0.06 -3.52 0.11 0.00 -2.06 0.00 0.00 37.83 32.30 2k3a s LYS 3 CO -0.04 -1.06 0.38 -1.17 0.10 0.00 0.00 175.35 173.56 2k3a s LEU 4 N 0.96 5.75 -0.21 2.77 0.20 -1.26 -5.06 118.68 121.84 2k3a s LEU 4 Ca 0.10 -1.79 -0.29 0.00 0.69 0.00 0.00 54.13 52.84 2k3a s LEU 4 Cb -0.22 -2.07 -0.03 0.00 -0.43 0.00 0.00 46.19 43.44 2k3a s LEU 4 CO -0.05 -0.71 1.64 -0.69 -0.29 0.00 0.00 176.35 176.25 2k3a s VAL 5 N 1.45 3.65 -0.08 1.68 1.01 -1.26 -4.88 120.40 121.97 2k3a s VAL 5 Ca 0.05 0.74 -0.06 0.00 0.00 0.00 0.00 61.98 62.71 2k3a s VAL 5 Cb -0.27 -3.66 -0.22 0.00 0.00 0.00 0.00 36.38 32.23 2k3a s VAL 5 CO 0.01 -0.27 3.50 0.35 0.00 0.00 0.00 175.10 178.69 2k3a n THR 6 N 6.40 3.06 -1.53 3.92 -2.24 -1.26 -4.80 114.28 117.83 2k3a n THR 6 Ca 0.19 -1.73 -0.41 0.00 -2.27 0.00 0.00 64.05 59.83 2k3a n THR 6 Cb 0.45 -1.94 -0.01 0.00 -2.10 0.00 0.00 70.33 66.72 2k3a n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k3a n ALA 7 N 2.26 5.86 -3.49 6.98 0.00 -1.26 -4.85 120.51 126.01 2k3a n ALA 7 Ca 0.44 -3.67 -0.42 0.00 0.00 0.00 0.00 53.44 49.79 2k3a n ALA 7 Cb 0.86 -3.49 -0.06 0.00 0.00 0.00 0.00 19.45 16.76 2k3a n ALA 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k3a s THR 8 N 3.09 4.69 -0.00 0.00 2.01 -1.26 -5.07 115.64 119.10 2k3a s THR 8 Ca 0.54 -2.35 -0.15 0.00 0.31 0.00 0.00 61.69 60.03 2k3a s THR 8 Cb 0.15 -3.99 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 2k3a s THR 8 CO -0.06 -0.91 0.42 -0.89 -0.69 0.00 0.00 174.62 172.48 2k3a s THR 9 N 0.53 5.02 -0.40 -0.82 2.01 -1.26 -4.99 115.64 115.72 2k3a s THR 9 Ca 0.13 0.86 -0.01 0.00 0.31 0.00 0.00 61.69 62.98 2k3a s THR 9 Cb -0.19 -3.72 0.31 0.00 0.01 0.00 0.00 72.50 68.91 2k3a s THR 9 CO -0.04 0.57 1.94 0.18 -0.69 0.00 0.00 174.62 176.58 2k3a n LEU 10 N 1.88 6.56 -4.56 4.42 4.32 -1.26 -4.91 117.00 123.46 2k3a n LEU 10 Ca -0.14 -3.45 -0.29 0.00 -0.02 0.00 0.00 56.01 52.11 2k3a n LEU 10 Cb 0.52 -0.97 -0.04 0.00 -1.62 0.00 0.00 43.42 41.30 2k3a n LEU 10 CO 0.38 1.21 1.51 -0.89 -1.22 0.00 0.00 177.39 178.39 2k3a s THR 11 N -2.86 3.26 -0.30 -5.08 2.01 -1.26 -4.84 115.64 106.57 2k3a s THR 11 Ca 0.40 -0.07 -0.16 0.00 0.31 0.00 0.00 61.69 62.17 2k3a s THR 11 Cb 0.32 -3.62 0.17 0.00 0.01 0.00 0.00 72.50 69.37 2k3a s THR 11 CO 0.01 -0.60 1.07 0.00 -0.69 0.00 0.00 174.62 174.42 2k3a s ALA 12 N 11.08 -2.63 -0.30 7.40 0.00 -1.26 -5.15 121.76 130.90 2k3a s ALA 12 Ca 0.78 2.06 -0.08 0.00 0.00 0.00 0.00 51.96 54.72 2k3a s ALA 12 Cb -0.11 -1.96 0.19 0.00 0.00 0.00 0.00 23.12 21.24 2k3a s ALA 12 CO 0.12 -0.63 0.95 0.20 0.00 0.00 0.00 175.76 176.39 2k3a s GLY 13 N 1.76 -0.90 -0.19 0.00 0.00 -1.26 -5.14 107.32 101.59 2k3a s GLY 13 Ca -0.05 2.01 -0.23 0.00 0.00 0.00 0.00 44.72 46.44 2k3a s GLY 13 CO -0.15 3.96 0.74 -0.42 0.00 0.00 0.00 173.10 177.23 2k3a s ILE 14 N 2.93 4.94 -0.09 0.90 1.09 -1.26 -4.93 121.20 124.78 2k3a s ILE 14 Ca 0.20 1.43 0.13 0.00 -1.10 0.00 0.00 60.65 61.30 2k3a s ILE 14 Cb -0.05 -4.05 0.20 0.00 -1.06 0.00 0.00 42.46 37.50 2k3a s ILE 14 CO -0.22 0.06 1.09 0.61 -0.10 0.00 0.00 174.94 176.38 2k3a n GLY 15 N 3.64 3.63 3.54 6.18 0.00 -1.26 -5.01 105.19 115.91 2k3a n GLY 15 Ca 0.02 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.06 2.92 -0.40 4.61 0.00 -1.26 -4.91 121.76 120.67 2k3a s ALA 16 Ca 0.22 -1.24 0.08 0.00 0.00 0.00 0.00 51.96 51.02 2k3a s ALA 16 Cb 0.19 -4.08 0.18 0.00 0.00 0.00 0.00 23.12 19.42 2k3a s ALA 16 CO 0.02 -2.91 0.62 0.00 0.00 0.00 0.00 175.76 173.48 2k3a s ALA 17 N 5.07 -2.31 0.31 0.00 0.00 -1.26 -5.17 121.76 118.40 2k3a s ALA 17 Ca 0.35 0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.51 2k3a s ALA 17 Cb -0.09 -2.70 -0.05 0.00 0.00 0.00 0.00 23.12 20.28 2k3a s ALA 17 CO 0.18 -2.19 0.56 0.96 0.00 0.00 0.00 175.76 175.27 2k3a s ILE 18 N 1.90 5.04 -0.60 0.00 -4.36 -1.26 -5.07 121.20 116.85 2k3a s ILE 18 Ca 0.16 -0.06 -0.06 0.00 -0.26 0.00 0.00 60.65 60.43 2k3a s ILE 18 Cb -0.05 -3.77 0.16 0.00 1.25 0.00 0.00 42.46 40.05 2k3a s ILE 18 CO -0.08 -0.40 0.45 -0.69 0.24 0.00 0.00 174.94 174.46 2k3a s VAL 19 N -2.16 4.13 -0.40 8.37 1.01 -1.26 -5.02 120.40 125.07 2k3a s VAL 19 Ca 0.43 -2.50 0.02 0.00 0.00 0.00 0.00 61.98 59.92 2k3a s VAL 19 Cb -0.10 -3.68 0.12 0.00 0.00 0.00 0.00 36.38 32.72 2k3a s VAL 19 CO 0.32 -0.86 0.19 -0.83 0.00 0.00 0.00 175.10 173.92 2k3a s GLY 20 N 1.54 1.55 -0.53 4.51 0.00 -1.26 -5.03 107.32 108.10 2k3a s GLY 20 Ca 0.14 -2.37 0.04 0.00 0.00 0.00 0.00 44.72 42.53 2k3a s GLY 20 CO -0.04 1.51 0.37 1.08 0.00 0.00 0.00 173.10 176.02 2k3a s LEU 21 N 0.71 3.02 0.73 0.66 1.43 -1.26 -5.12 118.68 118.85 2k3a s LEU 21 Ca 0.15 -3.23 -0.09 0.00 -1.03 0.00 0.00 54.13 49.93 2k3a s LEU 21 Cb -0.22 -1.04 0.06 0.00 0.03 0.00 0.00 46.19 45.01 2k3a s LEU 21 CO -0.07 -0.17 1.07 -1.81 0.23 0.00 0.00 176.35 175.61 2k3a s ASP 22 N -0.41 4.79 0.40 2.29 1.11 -1.26 -5.11 116.67 118.48 2k3a s ASP 22 Ca 0.26 0.62 0.04 0.00 0.18 0.00 0.00 52.55 53.64 2k3a s ASP 22 Cb -0.07 -1.25 -0.03 0.00 1.07 0.00 0.00 42.92 42.64 2k3a s ASP 22 CO -0.13 -1.66 0.11 -1.00 1.18 0.00 0.00 175.17 173.67 2k3a s HIS 23 N -3.35 1.82 0.00 4.23 3.76 -1.26 -5.12 115.29 115.36 2k3a s HIS 23 Ca 0.60 -1.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.30 2k3a s HIS 23 Cb -0.11 -1.21 0.00 0.00 1.11 0.00 0.00 32.58 32.37 2k3a s HIS 23 CO 0.47 -0.21 0.00 0.41 -0.85 0.00 0.00 174.74 174.55 2k3a n GLY 24 N -0.91 -1.78 3.39 -2.22 0.00 -1.26 -5.11 105.19 97.30 2k3a n GLY 24 Ca -0.06 0.81 -0.45 0.00 0.00 0.00 0.00 46.02 46.32 2k3a n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k3a s ASN 25 N 0.00 6.42 -0.17 1.61 2.47 -1.26 -5.01 114.94 119.00 2k3a s ASN 25 Ca 0.00 -1.84 -0.01 0.00 0.42 0.00 0.00 52.86 51.43 2k3a s ASN 25 Cb 0.00 -2.31 0.05 0.00 -1.45 0.00 0.00 41.25 37.54 2k3a s ASN 25 CO 0.00 -1.00 -0.01 -1.61 -3.72 0.00 0.00 177.10 170.75 2k3a s GLU 26 N 2.21 1.06 -0.36 0.43 2.02 -1.26 -5.06 118.70 117.73 2k3a s GLU 26 Ca 0.19 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 54.75 2k3a s GLU 26 Cb -0.16 -1.94 0.19 0.00 0.10 0.00 0.00 34.13 32.32 2k3a s GLU 26 CO -0.01 -0.50 0.80 0.00 0.02 0.00 0.00 175.26 175.58 2k3a s ALA 27 N 1.74 -3.23 -0.11 5.21 0.00 -1.26 -5.16 121.76 118.95 2k3a s ALA 27 Ca 0.00 0.78 -0.05 0.00 0.00 0.00 0.00 51.96 52.69 2k3a s ALA 27 Cb -0.16 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 2k3a s ALA 27 CO -0.07 -2.26 0.08 -0.51 0.00 0.00 0.00 175.76 173.01 2k3a s ASP 28 N 2.11 5.91 -0.31 0.00 1.11 -1.26 -5.08 116.67 119.15 2k3a s ASP 28 Ca 0.16 0.32 0.03 0.00 0.18 0.00 0.00 52.55 53.23 2k3a s ASP 28 Cb -0.02 -1.85 0.19 0.00 1.07 0.00 0.00 42.92 42.31 2k3a s ASP 28 CO -0.13 0.37 0.69 0.00 1.18 0.00 0.00 175.17 177.28 2k3a s ALA 29 N -0.83 -2.76 -0.47 5.23 0.00 -1.26 -5.11 121.76 116.57 2k3a s ALA 29 Ca 0.13 0.97 0.03 0.00 0.00 0.00 0.00 51.96 53.09 2k3a s ALA 29 Cb -0.12 -2.65 0.14 0.00 0.00 0.00 0.00 23.12 20.49 2k3a s ALA 29 CO 0.03 -1.98 0.27 0.00 0.00 0.00 0.00 175.76 174.08 2k3a s ALA 30 N 2.63 2.43 -0.23 0.00 0.00 -1.26 -5.10 121.76 120.24 2k3a s ALA 30 Ca 0.14 -2.79 -0.14 0.00 0.00 0.00 0.00 51.96 49.17 2k3a s ALA 30 Cb -0.07 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 2k3a s ALA 30 CO -0.22 -2.05 0.30 -1.21 0.00 0.00 0.00 175.76 172.58 2k3a s GLU 31 N 0.10 4.10 -0.17 0.00 0.41 -1.26 -5.08 118.70 116.80 2k3a s GLU 31 Ca 0.19 -0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.73 2k3a s GLU 31 Cb -0.22 -3.57 0.00 0.00 -1.78 0.00 0.00 34.13 28.57 2k3a s GLU 31 CO -0.02 -0.06 -0.16 -1.14 -0.49 0.00 0.00 175.26 173.40 2k3a s GLN 32 N 1.39 3.15 -0.27 1.61 2.00 -1.26 -5.09 119.66 121.19 2k3a s GLN 32 Ca 0.14 -0.77 -0.05 0.00 -2.00 0.00 0.00 55.36 52.68 2k3a s GLN 32 Cb -0.15 -2.64 0.15 0.00 0.80 0.00 0.00 33.01 31.17 2k3a s GLN 32 CO 0.07 -0.07 0.54 0.99 -0.50 0.00 0.00 175.29 176.32 2k3a s THR 33 N 1.02 -0.87 -0.10 -0.34 2.01 -1.26 -5.16 115.64 110.94 2k3a s THR 33 Ca -0.01 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.02 2k3a s THR 33 Cb -0.15 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 2k3a s THR 33 CO -0.04 -0.01 -0.16 -1.10 -0.69 0.00 0.00 174.62 172.62 2k3a s GLN 34 N 2.77 3.08 0.04 4.92 -0.21 -1.26 -5.11 119.66 123.90 2k3a s GLN 34 Ca 0.09 -0.74 -0.30 0.00 0.02 0.00 0.00 55.36 54.42 2k3a s GLN 34 Cb -0.14 -2.49 -0.07 0.00 1.00 0.00 0.00 33.01 31.32 2k3a s GLN 34 CO -0.18 0.30 1.51 -2.14 -2.12 0.00 0.00 175.29 172.66 2k3a s PRO 35 N 0.09 4.25 0.02 2.91 0.02 -1.26 -4.97 135.00 136.05 2k3a s PRO 35 Ca -0.07 2.13 -0.07 0.00 0.02 0.00 0.00 61.00 63.01 2k3a s PRO 35 Cb -0.15 -3.57 -0.03 0.00 0.02 0.00 0.00 34.50 30.77 2k3a s PRO 35 CO 0.05 -0.64 1.11 1.79 -0.33 0.00 0.00 177.00 178.98 2k3a h THR 36 N 4.83 0.00 -3.37 0.99 1.35 -2.08 -3.42 112.91 111.21 2k3a h THR 36 Ca -0.40 0.00 -0.44 0.00 -0.55 0.00 0.00 66.41 65.02 2k3a h THR 36 Cb 1.19 0.00 -0.35 0.00 -1.73 0.00 0.00 68.15 67.26 2k3a h THR 36 CO 0.91 0.00 -0.78 0.21 -0.25 0.00 0.00 175.52 175.62 2k3a s ASN 37 N -2.85 1.33 -0.43 5.36 3.84 -1.26 -5.11 114.94 115.81 2k3a s ASN 37 Ca -0.03 -0.15 -0.12 0.00 0.21 0.00 0.00 52.86 52.77 2k3a s ASN 37 Cb 0.01 -0.52 0.06 0.00 -0.55 0.00 0.00 41.25 40.25 2k3a s ASN 37 CO 0.12 -0.09 0.29 -1.10 -2.79 0.00 0.00 177.10 173.53 2k3a s GLN 38 N 1.27 2.78 -0.46 0.43 1.11 -1.26 -4.96 119.66 118.57 2k3a s GLN 38 Ca -0.05 -1.33 0.04 0.00 0.01 0.00 0.00 55.36 54.03 2k3a s GLN 38 Cb -0.14 -3.89 0.60 0.00 -1.01 0.00 0.00 33.01 28.57 2k3a s GLN 38 CO -0.02 -0.92 1.85 0.43 0.01 0.00 0.00 175.29 176.64 2k3a n SER 39 N 5.04 4.31 -4.29 5.90 7.64 -1.26 -4.96 113.62 125.99 2k3a n SER 39 Ca -0.11 -3.68 -0.20 0.00 1.01 0.00 0.00 58.87 55.89 2k3a n SER 39 Cb 0.44 -0.82 -0.11 0.00 -1.01 0.00 0.00 64.21 62.71 2k3a n SER 39 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2k3a s THR 40 N -3.61 1.59 0.10 0.44 2.01 -1.26 -5.11 115.64 109.79 2k3a s THR 40 Ca 0.56 -1.83 -0.33 0.00 0.31 0.00 0.00 61.69 60.41 2k3a s THR 40 Cb 0.47 -1.70 -0.12 0.00 0.01 0.00 0.00 72.50 71.16 2k3a s THR 40 CO 0.07 -0.36 1.73 0.41 -0.69 0.00 0.00 174.62 175.77 2k3a n THR 41 N 0.40 0.23 -1.10 -0.82 -1.04 -1.26 -4.89 114.28 105.80 2k3a n THR 41 Ca -0.14 -0.04 -0.23 0.00 -2.04 0.00 0.00 64.05 61.60 2k3a n THR 41 Cb 0.57 -1.80 0.03 0.00 -1.82 0.00 0.00 70.33 67.32 2k3a n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k3a n GLN 42 N 4.79 2.11 -2.40 -2.82 6.02 -1.26 -4.88 117.38 118.94 2k3a n GLN 42 Ca 0.19 -2.12 -0.37 0.00 -0.01 0.00 0.00 57.00 54.69 2k3a n GLN 42 Cb 0.32 -1.86 -0.04 0.00 1.02 0.00 0.00 30.24 29.68 2k3a n GLN 42 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2k3a s SER 43 N -0.29 6.09 -1.38 1.08 0.01 -1.26 -4.91 113.70 113.04 2k3a s SER 43 Ca 0.43 -1.25 -0.15 0.00 1.31 0.00 0.00 55.95 56.29 2k3a s SER 43 Cb 0.33 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 64.05 2k3a s SER 43 CO -0.05 -1.88 1.99 0.35 0.41 0.00 0.00 173.24 174.06 2k3a n THR 44 N 7.18 3.72 -0.73 1.44 -2.24 -1.26 -4.37 114.28 118.03 2k3a n THR 44 Ca 0.36 -3.58 0.00 0.00 -2.27 0.00 0.00 64.05 58.56 2k3a n THR 44 Cb 0.50 -2.49 0.00 0.00 -2.10 0.00 0.00 70.33 66.24 2k3a n THR 44 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2k3a n SER 45 N 6.85 0.52 -4.79 3.42 3.41 -1.26 -5.10 113.62 116.67 2k3a n SER 45 Ca 0.50 -1.24 -0.36 0.00 -0.26 0.00 0.00 58.87 57.51 2k3a n SER 45 Cb 0.42 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 2k3a n SER 45 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2k3a s GLY 46 N -0.24 2.66 -1.28 5.00 0.00 -1.26 -4.97 107.32 107.22 2k3a s GLY 46 Ca 0.00 0.55 -0.16 0.00 0.00 0.00 0.00 44.72 45.10 2k3a s GLY 46 CO 0.00 0.94 1.68 -1.14 0.00 0.00 0.00 173.10 174.57 2k3a n SER 47 N -0.02 4.98 -4.45 1.64 3.41 -1.26 -4.91 113.62 113.01 2k3a n SER 47 Ca 0.05 -2.94 -0.44 0.00 -0.26 0.00 0.00 58.87 55.28 2k3a n SER 47 Cb 0.51 -1.69 -0.01 0.00 -0.26 0.00 0.00 64.21 62.76 2k3a n SER 47 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k3a s SER 48 N 3.74 6.89 -0.27 4.04 0.01 -1.26 -4.05 113.70 122.79 2k3a s SER 48 Ca 0.50 -2.62 -0.23 0.00 1.31 0.00 0.00 55.95 54.92 2k3a s SER 48 Cb 0.03 -2.38 0.08 0.00 0.21 0.00 0.00 66.02 63.95 2k3a s SER 48 CO 0.05 -0.85 0.75 0.00 0.41 0.00 0.00 173.24 173.60 2k3a s ALA 49 N 1.84 -1.83 -0.84 1.44 0.00 -1.26 -5.11 121.76 116.00 2k3a s ALA 49 Ca 0.37 2.10 -0.25 0.00 0.00 0.00 0.00 51.96 54.19 2k3a s ALA 49 Cb -0.04 -1.27 0.05 0.00 0.00 0.00 0.00 23.12 21.86 2k3a s ALA 49 CO -0.05 -0.34 1.29 1.21 0.00 0.00 0.00 175.76 177.88 2k3a s ASN 50 N 0.65 6.31 -0.30 0.00 3.84 -1.26 -4.80 114.94 119.38 2k3a s ASN 50 Ca -0.02 -0.97 0.02 0.00 0.21 0.00 0.00 52.86 52.10 2k3a s ASN 50 Cb -0.05 -2.54 0.40 0.00 -0.55 0.00 0.00 41.25 38.51 2k3a s ASN 50 CO -0.04 -1.63 1.63 0.18 -2.79 0.00 0.00 177.10 174.45 2k3a n LEU 51 N 8.82 5.52 -4.53 3.21 4.77 -1.26 -4.92 117.00 128.60 2k3a n LEU 51 Ca 0.14 -2.91 -0.26 0.00 -0.03 0.00 0.00 56.01 52.96 2k3a n LEU 51 Cb 0.49 -0.75 -0.09 0.00 -2.33 0.00 0.00 43.42 40.74 2k3a n LEU 51 CO 0.67 0.90 -0.22 -0.31 -1.33 0.00 0.00 177.39 177.10 2k3a s TYR 52 N -2.09 1.83 -0.24 -1.77 2.02 -1.26 -5.07 117.35 110.77 2k3a s TYR 52 Ca 0.36 -1.18 0.16 0.00 -0.37 0.00 0.00 57.07 56.05 2k3a s TYR 52 Cb 0.30 -1.24 0.50 0.00 -0.40 0.00 0.00 41.96 41.12 2k3a s TYR 52 CO 0.06 -0.17 1.40 -2.37 -1.57 0.00 0.00 175.55 172.90 2k3a n THR 53 N -0.91 2.16 -1.11 -0.71 5.66 -1.26 -5.09 114.28 113.02 2k3a n THR 53 Ca -0.07 -1.82 0.03 0.00 -3.05 0.00 0.00 64.05 59.14 2k3a n THR 53 Cb 0.66 -0.19 -0.02 0.00 -1.55 0.00 0.00 70.33 69.23 2k3a n THR 53 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k3a n ALA 54 N -0.47 -1.87 0.00 1.79 0.00 -1.26 -4.80 120.51 113.90 2k3a n ALA 54 Ca 0.20 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.08 2k3a n ALA 54 Cb 0.84 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -2.68 2.11 3.78 0.00 0.00 -1.26 -4.98 105.19 102.15 2k3a n GLY 55 Ca -0.02 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 4.19 0.20 1.61 -0.21 -1.26 -4.80 119.66 119.39 2k3a s GLN 56 Ca 0.00 2.46 -0.10 0.00 0.02 0.00 0.00 55.36 57.74 2k3a s GLN 56 Cb 0.00 -3.00 0.26 0.00 1.00 0.00 0.00 33.01 31.27 2k3a s GLN 56 CO 0.00 -0.43 1.74 0.00 -2.12 0.00 0.00 175.29 174.48 2k3a h THR 58 N 0.40 0.77 -0.27 0.00 1.35 -1.92 -0.06 112.91 113.18 2k3a h THR 58 Ca 0.30 -0.20 0.04 0.00 -0.55 0.00 0.00 66.41 65.99 2k3a h THR 58 Cb 0.36 0.13 -0.03 0.00 -1.73 0.00 0.00 68.15 66.87 2k3a h THR 58 CO -0.30 0.11 0.06 -0.25 -0.25 0.00 0.00 175.52 174.89 2k3a h TRP 59 N 0.59 0.10 -0.38 4.73 7.01 -1.64 -0.28 115.95 126.09 2k3a h TRP 59 Ca 0.40 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.40 2k3a h TRP 59 Cb 0.52 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 2k3a h TRP 59 CO -0.11 0.03 0.13 -0.92 -2.79 0.00 0.00 178.44 174.78 2k3a h TYR 60 N 0.16 0.59 -0.66 2.65 3.20 -0.95 -2.79 116.97 119.17 2k3a h TYR 60 Ca 0.13 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2k3a h TYR 60 Cb 0.13 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 2k3a h TYR 60 CO -0.16 0.55 0.42 0.28 -1.64 0.00 0.00 178.16 177.61 2k3a h VAL 61 N 0.46 1.18 -0.94 1.81 2.07 -0.84 -1.00 116.25 118.99 2k3a h VAL 61 Ca 0.12 -0.37 0.12 0.00 0.82 0.00 0.00 66.70 67.39 2k3a h VAL 61 Cb 0.22 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.16 2k3a h VAL 61 CO -0.01 0.18 0.60 0.22 0.02 0.00 0.00 177.57 178.59 2k3a h TYR 62 N 0.90 1.01 -0.02 1.57 3.20 -0.92 -0.41 116.97 122.30 2k3a h TYR 62 Ca 0.24 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 2k3a h TYR 62 Cb -0.06 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 37.88 2k3a h TYR 62 CO -0.02 0.42 -0.09 0.22 -1.64 0.00 0.00 178.16 177.05 2k3a h ASP 63 N 0.90 0.12 -0.72 -2.11 1.82 -1.16 0.23 116.42 115.49 2k3a h ASP 63 Ca 0.46 -0.64 0.05 0.00 -0.39 0.00 0.00 57.03 56.51 2k3a h ASP 63 Cb 0.50 -0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.44 2k3a h ASP 63 CO -0.22 0.73 0.47 0.11 -1.61 0.00 0.00 179.24 178.73 2k3a h LYS 64 N -0.50 0.79 -0.17 0.28 1.79 -0.76 0.04 116.57 118.05 2k3a h LYS 64 Ca -0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2k3a h LYS 64 Cb 0.73 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2k3a h LYS 64 CO 0.02 0.52 0.00 1.55 -1.08 0.00 0.00 179.45 180.46 2k3a n VAL 65 N -4.47 0.05 -1.43 0.50 3.14 -0.20 -4.86 118.33 111.07 2k3a n VAL 65 Ca 0.10 -0.04 -0.15 0.00 -2.96 0.00 0.00 64.34 61.29 2k3a n VAL 65 Cb 0.17 -0.05 -0.06 0.00 -1.06 0.00 0.00 33.84 32.83 2k3a n VAL 65 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k3a n GLY 66 N 0.47 1.50 2.51 7.55 0.00 -0.00 -2.58 105.19 114.64 2k3a n GLY 66 Ca 0.01 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.00 0.95 0.47 -0.02 0.00 0.07 -4.86 105.19 100.79 2k3a n GLY 67 Ca -0.15 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.55 1.36 -4.63 1.61 3.02 -1.07 -4.86 115.26 109.15 2k3a n ASN 68 Ca -0.22 -2.00 -0.30 0.00 -0.03 0.00 0.00 54.58 52.03 2k3a n ASN 68 Cb 0.68 -0.17 -0.09 0.00 -0.61 0.00 0.00 39.78 39.59 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 -1.66 3.69 -1.03 2.41 -4.36 -1.26 -5.04 121.20 113.95 2k3a s ILE 69 Ca 0.17 -1.06 -0.24 0.00 -0.26 0.00 0.00 60.65 59.26 2k3a s ILE 69 Cb 0.09 -2.72 -0.09 0.00 1.25 0.00 0.00 42.46 40.99 2k3a s ILE 69 CO 0.12 0.17 2.00 -0.83 0.24 0.00 0.00 174.94 176.64 2k3a s GLY 70 N -2.10 -0.05 0.65 6.27 0.00 -1.26 -4.78 107.32 106.05 2k3a s GLY 70 Ca 0.22 -1.71 0.27 0.00 0.00 0.00 0.00 44.72 43.50 2k3a s GLY 70 CO 0.14 3.67 1.82 1.48 0.00 0.00 0.00 173.10 180.21 2k3a h SER 71 N 10.79 0.00 0.07 1.64 4.64 -1.87 -0.72 113.55 128.10 2k3a h SER 71 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2k3a h SER 71 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2k3a h SER 71 CO 1.18 0.00 0.00 1.07 -0.87 0.00 0.00 176.83 178.21 2k3a n THR 72 N -3.00 0.28 0.29 2.95 5.66 -1.26 -2.93 114.28 116.28 2k3a n THR 72 Ca 0.00 0.07 0.17 0.00 -3.05 0.00 0.00 64.05 61.24 2k3a n THR 72 Cb 0.51 -0.91 0.89 0.00 -1.55 0.00 0.00 70.33 69.27 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 -1.51 -3.48 115.95 118.60 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 0.05 0.00 0.41 -1.05 0.00 0.00 178.44 177.85 2k3a n GLY 74 N -0.79 0.63 3.79 1.49 0.00 -1.15 -4.71 105.19 104.46 2k3a n GLY 74 Ca -0.02 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 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 5.55 0.00 1.61 0.01 -1.26 -4.89 114.94 111.96 2k3a s ASN 75 Ca 0.00 1.87 0.00 0.00 -0.71 0.00 0.00 52.86 54.02 2k3a s ASN 75 Cb 0.00 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.12 2k3a s ASN 75 CO 0.00 -1.32 0.68 0.00 -1.51 0.00 0.00 177.10 174.95 2k3a n ALA 76 N -2.19 2.21 0.07 0.60 0.00 -1.25 -1.81 120.51 118.15 2k3a n ALA 76 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.58 2k3a n ALA 76 Cb 0.53 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.87 2k3a n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k3a n ASN 77 N 0.79 2.47 -0.72 0.00 3.02 -1.26 -2.41 115.26 117.14 2k3a n ASN 77 Ca 0.00 -0.12 0.09 0.00 -0.03 0.00 0.00 54.58 54.52 2k3a n ASN 77 Cb 0.31 1.35 0.07 0.00 -0.61 0.00 0.00 39.78 40.90 2k3a n ASN 77 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2k3a n ASN 78 N -1.71 2.51 0.28 6.41 5.15 -0.75 -4.66 115.26 122.49 2k3a n ASN 78 Ca -0.01 -1.75 -0.14 0.00 -0.60 0.00 0.00 54.58 52.08 2k3a n ASN 78 Cb 0.22 0.02 -0.07 0.00 -0.53 0.00 0.00 39.78 39.42 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 3.56 -0.70 -0.67 1.20 4.06 -1.84 -0.53 115.95 121.03 2k3a h TRP 79 Ca 0.00 -0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 2k3a h TRP 79 Cb 0.76 0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 29.12 2k3a h TRP 79 CO 0.00 -0.38 0.30 0.00 -3.56 0.00 0.00 178.44 174.80 2k3a h ALA 80 N -0.95 0.87 0.07 1.49 0.00 -1.93 0.57 119.26 119.39 2k3a h ALA 80 Ca -0.08 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2k3a h ALA 80 Cb 0.63 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2k3a h ALA 80 CO 0.13 0.46 -0.08 1.03 0.00 0.00 0.00 179.25 180.78 2k3a h SER 81 N 0.94 -0.22 -0.28 0.00 0.87 -1.82 -0.60 113.55 112.45 2k3a h SER 81 Ca 0.23 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.73 2k3a h SER 81 Cb 0.16 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2k3a h SER 81 CO -0.02 -0.13 -0.11 0.00 -0.53 0.00 0.00 176.83 176.04 2k3a h ALA 82 N 0.75 1.08 0.01 6.23 0.00 -0.99 -1.49 119.26 124.85 2k3a h ALA 82 Ca 0.01 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.64 2k3a h ALA 82 Cb 0.18 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2k3a h ALA 82 CO -0.04 0.57 -0.19 0.00 0.00 0.00 0.00 179.25 179.60 2k3a h ALA 83 N 1.25 -0.24 -0.20 0.00 0.00 -0.55 0.46 119.26 119.99 2k3a h ALA 83 Ca 0.11 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2k3a h ALA 83 Cb 0.55 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2k3a h ALA 83 CO 0.03 -0.68 -0.02 0.77 0.00 0.00 0.00 179.25 179.35 2k3a h SER 84 N -0.31 0.26 0.58 0.00 0.02 -0.96 0.88 113.55 114.03 2k3a h SER 84 Ca 0.05 -0.04 -0.21 0.00 -0.84 0.00 0.00 61.79 60.76 2k3a h SER 84 Cb 0.37 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2k3a h SER 84 CO -0.17 0.33 -0.91 -1.28 -1.14 0.00 0.00 176.83 173.67 2k3a h SER 85 N 0.28 0.28 0.00 3.07 0.87 -0.68 -3.37 113.55 114.01 2k3a h SER 85 Ca 0.07 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.37 2k3a h SER 85 Cb 0.23 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2k3a h SER 85 CO 0.01 1.05 -0.10 0.00 -0.53 0.00 0.00 176.83 177.26 2k3a h ALA 86 N 0.93 0.02 0.00 6.23 0.00 0.23 -3.49 119.26 123.18 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 1.55 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2k3a h ALA 86 CO 0.14 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2k3a n GLY 87 N 1.62 0.00 3.99 0.00 0.00 -0.43 -5.09 105.19 105.27 2k3a n GLY 87 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 1.41 -0.70 1.61 1.51 0.18 -4.89 117.35 116.46 2k3a s TYR 88 Ca 0.00 -0.28 -0.06 0.00 -1.01 0.00 0.00 57.07 55.73 2k3a s TYR 88 Cb 0.00 -3.11 0.18 0.00 -0.11 0.00 0.00 41.96 38.92 2k3a s TYR 88 CO 0.00 -1.89 0.55 0.99 -1.11 0.00 0.00 175.55 174.08 2k3a s THR 89 N -3.24 4.23 -0.38 -0.71 2.01 -0.89 -4.59 115.64 112.07 2k3a s THR 89 Ca 0.68 -2.91 -0.13 0.00 0.31 0.00 0.00 61.69 59.64 2k3a s THR 89 Cb -0.04 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 68.78 2k3a s THR 89 CO 0.46 -0.93 0.25 -0.69 -0.69 0.00 0.00 174.62 173.01 2k3a s VAL 90 N -0.11 4.98 0.34 3.82 1.01 -1.26 0.31 120.40 129.49 2k3a s VAL 90 Ca 0.18 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.57 2k3a s VAL 90 Cb -0.17 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 2k3a s VAL 90 CO -0.05 -0.20 0.19 0.20 0.00 0.00 0.00 175.10 175.24 2k3a s ASN 91 N 1.64 1.94 0.00 3.32 -0.87 -0.35 -4.94 114.94 115.68 2k3a s ASN 91 Ca 0.04 -1.66 0.28 0.00 -1.57 0.00 0.00 52.86 49.95 2k3a s ASN 91 Cb -0.19 0.49 1.07 0.00 -0.02 0.00 0.00 41.25 42.60 2k3a s ASN 91 CO 0.09 -0.96 1.76 0.59 -2.57 0.00 0.00 177.10 176.00 2k3a n ASN 92 N -1.25 1.45 -4.63 -1.22 4.13 -1.26 -0.76 115.26 111.73 2k3a n ASN 92 Ca 0.01 -1.48 -0.43 0.00 1.68 0.00 0.00 54.58 54.37 2k3a n ASN 92 Cb 0.64 0.00 -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 -0.44 0.28 0.00 0.00 177.26 177.10 2k3a s SER 93 N -2.01 6.24 -0.02 6.41 0.01 -1.26 -4.82 113.70 118.25 2k3a s SER 93 Ca 0.38 1.69 0.06 0.00 1.31 0.00 0.00 55.95 59.39 2k3a s SER 93 Cb 0.21 -2.53 0.20 0.00 0.21 0.00 0.00 66.02 64.11 2k3a s SER 93 CO 0.34 -1.36 1.09 -0.81 0.41 0.00 0.00 173.24 172.90 2k3a n PRO 94 N 7.85 1.65 -1.70 12.44 -0.04 -1.26 -4.79 135.00 149.14 2k3a n PRO 94 Ca 0.20 -0.81 -0.39 0.00 -0.04 0.00 0.00 63.50 62.46 2k3a n PRO 94 Cb 0.45 -1.30 0.03 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.14 1.64 -0.97 0.54 2.13 -1.26 -4.85 120.64 118.00 2k3a n GLU 95 Ca 0.07 0.60 -0.34 0.00 0.66 0.00 0.00 57.16 58.15 2k3a n GLU 95 Cb 0.26 -2.41 0.11 0.00 0.27 0.00 0.00 31.44 29.67 2k3a n GLU 95 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k3a n ALA 96 N -0.82 -1.66 -1.94 4.31 0.00 -1.26 -4.06 120.51 115.08 2k3a n ALA 96 Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2k3a n ALA 96 Cb 0.43 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 1.26 0.93 3.61 0.00 0.00 -1.19 -5.05 105.19 104.75 2k3a n GLY 97 Ca 0.09 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.80 0.15 -0.10 1.61 1.04 -1.26 -4.39 113.70 107.95 2k3a s SER 98 Ca 0.00 -1.07 0.01 0.00 0.48 0.00 0.00 55.95 55.37 2k3a s SER 98 Cb 0.00 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.79 2k3a s SER 98 CO 0.00 -1.27 -0.12 -0.63 0.98 0.00 0.00 173.24 172.20 2k3a s ILE 99 N -3.55 1.29 -0.01 -1.02 1.01 -0.60 -1.08 121.20 117.24 2k3a s ILE 99 Ca 0.23 -0.51 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 2k3a s ILE 99 Cb -0.02 -1.21 -0.06 0.00 0.01 0.00 0.00 42.46 41.18 2k3a s ILE 99 CO 0.12 0.40 0.47 -1.48 0.00 0.00 0.00 174.94 174.45 2k3a s LEU 100 N 1.17 4.44 -0.18 2.97 2.34 -1.08 -0.14 118.68 128.20 2k3a s LEU 100 Ca -0.04 1.01 -0.06 0.00 0.06 0.00 0.00 54.13 55.10 2k3a s LEU 100 Cb -0.14 -2.70 -0.03 0.00 -0.56 0.00 0.00 46.19 42.76 2k3a s LEU 100 CO -0.03 0.23 0.02 -1.58 -1.06 0.00 0.00 176.35 173.92 2k3a s GLN 101 N -0.64 3.80 -0.11 1.48 0.74 0.00 -3.39 119.66 121.53 2k3a s GLN 101 Ca 0.26 -0.44 -0.09 0.00 0.05 0.00 0.00 55.36 55.13 2k3a s GLN 101 Cb -0.17 -3.09 -0.08 0.00 1.10 0.00 0.00 33.01 30.77 2k3a s GLN 101 CO 0.14 0.21 0.24 1.03 -0.55 0.00 0.00 175.29 176.36 2k3a h SER 102 N 6.87 0.00 0.00 6.67 0.87 -1.29 -3.20 113.55 123.47 2k3a h SER 102 Ca -0.34 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 2k3a h SER 102 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2k3a h SER 102 CO 0.66 0.66 0.00 0.35 -0.53 0.00 0.00 176.83 177.96 2k3a n THR 103 N -4.73 0.00 -0.04 2.23 -2.24 -1.26 -4.54 114.28 103.70 2k3a n THR 103 Ca -0.03 0.00 0.23 0.00 -2.27 0.00 0.00 64.05 61.98 2k3a n THR 103 Cb 0.15 0.00 0.72 0.00 -2.10 0.00 0.00 70.33 69.10 2k3a n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k3a h ALA 104 N 0.00 2.52 0.00 6.98 0.00 -1.96 -1.06 119.26 125.74 2k3a h ALA 104 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k3a h ALA 104 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2k3a h ALA 104 CO 0.00 -0.81 0.00 0.41 0.00 0.00 0.00 179.25 178.85 2k3a n GLY 105 N -1.63 -0.42 4.89 0.00 0.00 -1.26 -4.89 105.19 101.88 2k3a n GLY 105 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.43 1.93 0.00 -0.02 0.00 -0.40 -4.28 105.19 101.99 2k3a n GLY 106 Ca 0.06 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -0.45 1.61 4.02 -1.26 -4.93 117.16 116.15 2k3a n TYR 107 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.95 2k3a n TYR 107 Cb 0.00 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.28 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 0.29 -1.66 3.65 2.72 0.00 -1.26 -3.75 105.19 105.17 2k3a n GLY 108 Ca 0.15 -1.41 -0.04 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.66 -0.21 -0.01 1.61 2.46 -1.01 -4.80 115.29 111.67 2k3a s HIS 109 Ca 0.00 0.49 -0.05 0.00 0.47 0.00 0.00 55.06 55.97 2k3a s HIS 109 Cb 0.00 0.39 0.00 0.00 -0.13 0.00 0.00 32.58 32.85 2k3a s HIS 109 CO 0.00 -0.10 0.10 0.14 -2.47 0.00 0.00 174.74 172.41 2k3a s VAL 110 N 0.27 0.06 -0.02 0.89 -7.23 -1.26 -0.98 120.40 112.13 2k3a s VAL 110 Ca 0.04 -0.50 -0.17 0.00 -1.81 0.00 0.00 61.98 59.54 2k3a s VAL 110 Cb -0.05 -0.32 0.03 0.00 0.56 0.00 0.00 36.38 36.60 2k3a s VAL 110 CO -0.12 -0.27 0.35 0.00 -0.31 0.00 0.00 175.10 174.75 2k3a s ALA 111 N -0.92 -0.90 -0.14 1.32 0.00 -1.22 -4.55 121.76 115.35 2k3a s ALA 111 Ca -0.10 0.45 -0.23 0.00 0.00 0.00 0.00 51.96 52.08 2k3a s ALA 111 Cb -0.06 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 2k3a s ALA 111 CO 0.01 -0.27 0.69 -0.47 0.00 0.00 0.00 175.76 175.72 2k3a s TYR 112 N -1.30 3.47 -0.31 0.00 5.04 -1.19 -2.64 117.35 120.42 2k3a s TYR 112 Ca -0.13 1.12 -0.29 0.00 -2.44 0.00 0.00 57.07 55.33 2k3a s TYR 112 Cb -0.05 -2.83 -0.01 0.00 0.35 0.00 0.00 41.96 39.42 2k3a s TYR 112 CO 0.05 -0.07 1.63 0.08 -1.34 0.00 0.00 175.55 175.90 2k3a s VAL 113 N 1.47 3.67 -0.01 3.14 1.01 -0.24 -0.66 120.40 128.77 2k3a s VAL 113 Ca 0.34 0.71 -0.21 0.00 0.00 0.00 0.00 61.98 62.82 2k3a s VAL 113 Cb -0.17 -3.81 -0.24 0.00 0.00 0.00 0.00 36.38 32.16 2k3a s VAL 113 CO 0.14 -0.46 1.07 -0.33 0.00 0.00 0.00 175.10 175.52 2k3a h GLU 114 N 11.55 0.35 -2.85 2.72 4.39 -0.34 -3.15 114.58 127.25 2k3a h GLU 114 Ca -0.32 -0.39 0.04 0.00 0.34 0.00 0.00 59.36 59.04 2k3a h GLU 114 Cb 1.15 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 29.81 2k3a h GLU 114 CO 1.03 1.07 0.28 1.21 -1.16 0.00 0.00 179.01 181.44 2k3a s ASN 115 N -6.66 -0.41 -0.23 1.42 2.47 -0.87 -4.86 114.94 105.80 2k3a s ASN 115 Ca -0.14 -0.23 -0.01 0.00 0.42 0.00 0.00 52.86 52.90 2k3a s ASN 115 Cb 0.03 0.60 0.06 0.00 -1.45 0.00 0.00 41.25 40.50 2k3a s ASN 115 CO 0.80 -1.04 0.01 -0.69 -3.72 0.00 0.00 177.10 172.46 2k3a s VAL 116 N -3.68 1.01 0.63 -5.21 1.01 -1.26 -0.52 120.40 112.37 2k3a s VAL 116 Ca 0.06 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 2k3a s VAL 116 Cb -0.03 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 2k3a s VAL 116 CO -0.05 -0.22 1.05 0.20 0.00 0.00 0.00 175.10 176.08 2k3a s ASN 117 N 1.62 5.78 0.18 3.32 0.01 -0.83 -4.92 114.94 120.11 2k3a s ASN 117 Ca -0.02 1.65 0.14 0.00 -0.71 0.00 0.00 52.86 53.92 2k3a s ASN 117 Cb -0.18 -2.51 0.71 0.00 0.41 0.00 0.00 41.25 39.68 2k3a s ASN 117 CO -0.09 -1.17 1.42 -1.20 -1.51 0.00 0.00 177.10 174.55 2k3a n SER 118 N -2.51 0.34 0.00 -1.22 7.64 -1.26 -0.69 113.62 115.92 2k3a n SER 118 Ca 0.08 0.65 0.12 0.00 1.01 0.00 0.00 58.87 60.73 2k3a n SER 118 Cb 0.53 -0.70 0.62 0.00 -1.01 0.00 0.00 64.21 63.66 2k3a n SER 118 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k3a n ASP 119 N -1.95 0.00 0.00 6.43 8.00 -1.26 -4.89 116.55 122.89 2k3a n ASP 119 Ca -0.00 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2k3a n ASP 119 Cb 0.04 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 2k3a n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k3a n GLY 120 N 0.92 2.56 3.73 0.44 0.00 0.13 -4.81 105.19 108.16 2k3a n GLY 120 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2k3a n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3a s SER 121 N -1.62 6.70 -0.24 1.61 0.01 -1.25 -3.94 113.70 114.97 2k3a s SER 121 Ca 0.00 2.53 -0.11 0.00 1.31 0.00 0.00 55.95 59.68 2k3a s SER 121 Cb 0.00 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 2k3a s SER 121 CO 0.00 -0.71 0.17 -0.69 0.41 0.00 0.00 173.24 172.42 2k3a s VAL 122 N 0.69 5.35 -0.39 3.43 1.01 0.14 -1.97 120.40 128.67 2k3a s VAL 122 Ca 0.64 0.21 -0.14 0.00 0.00 0.00 0.00 61.98 62.69 2k3a s VAL 122 Cb -0.40 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.47 2k3a s VAL 122 CO 0.35 0.34 0.27 -1.61 0.00 0.00 0.00 175.10 174.44 2k3a s GLU 123 N 1.10 3.08 0.16 2.72 2.02 0.32 -0.30 118.70 127.80 2k3a s GLU 123 Ca 0.08 -0.94 0.09 0.00 0.02 0.00 0.00 54.97 54.22 2k3a s GLU 123 Cb -0.14 -3.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.17 2k3a s GLU 123 CO 0.05 -0.66 -0.11 0.14 0.02 0.00 0.00 175.26 174.70 2k3a s VAL 124 N 1.67 3.15 -0.26 2.63 -7.23 -0.40 0.44 120.40 120.39 2k3a s VAL 124 Ca 0.05 -1.58 -0.10 0.00 -1.81 0.00 0.00 61.98 58.54 2k3a s VAL 124 Cb -0.19 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.18 2k3a s VAL 124 CO 0.09 -0.04 0.16 -0.94 -0.31 0.00 0.00 175.10 174.06 2k3a s SER 125 N -2.62 5.89 -0.10 4.85 1.04 0.16 -1.00 113.70 121.92 2k3a s SER 125 Ca 0.23 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.67 2k3a s SER 125 Cb -0.09 -2.08 0.02 0.00 0.10 0.00 0.00 66.02 63.97 2k3a s SER 125 CO 0.14 -0.01 -0.12 -0.70 0.98 0.00 0.00 173.24 173.54 2k3a s GLU 126 N 1.49 1.83 -0.23 4.02 2.12 -0.43 -3.20 118.70 124.30 2k3a s GLU 126 Ca 0.07 -0.41 -0.29 0.00 0.36 0.00 0.00 54.97 54.70 2k3a s GLU 126 Cb -0.15 -1.67 -0.03 0.00 0.26 0.00 0.00 34.13 32.54 2k3a s GLU 126 CO 0.08 -0.13 1.86 1.41 -0.54 0.00 0.00 175.26 177.94 2k3a s MET 127 N 1.21 3.50 0.00 4.30 -2.45 -1.26 0.22 119.30 124.82 2k3a s MET 127 Ca -0.03 1.76 0.00 0.00 -1.25 0.00 0.00 55.69 56.17 2k3a s MET 127 Cb -0.14 -4.19 0.00 0.00 1.25 0.00 0.00 34.83 31.75 2k3a s MET 127 CO -0.04 -1.66 0.00 -1.71 1.05 0.00 0.00 175.02 172.66 2k3a n ASN 128 N 9.81 0.34 -4.77 1.11 5.15 -1.08 -4.49 115.26 121.33 2k3a n ASN 128 Ca 0.23 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.90 2k3a n ASN 128 Cb 0.45 0.00 0.09 0.00 -0.53 0.00 0.00 39.78 39.79 2k3a n ASN 128 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2k3a s TYR 129 N -1.10 2.67 -0.32 1.20 1.51 -0.88 -5.02 117.35 115.42 2k3a s TYR 129 Ca 0.00 1.46 -0.17 0.00 -1.01 0.00 0.00 57.07 57.35 2k3a s TYR 129 Cb 0.00 -3.03 -0.02 0.00 -0.11 0.00 0.00 41.96 38.80 2k3a s TYR 129 CO 0.00 -1.76 0.44 -0.80 -1.11 0.00 0.00 175.55 172.32 2k3a s ASN 130 N -3.52 6.28 0.06 2.29 0.01 -1.26 -4.69 114.94 114.10 2k3a s ASN 130 Ca 0.61 0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.82 2k3a s ASN 130 Cb -0.16 -2.24 0.00 0.00 0.41 0.00 0.00 41.25 39.26 2k3a s ASN 130 CO 0.56 -0.35 0.00 0.61 -1.51 0.00 0.00 177.10 176.41 2k3a n GLY 131 N 4.76 -1.10 0.00 0.66 0.00 -1.26 -5.00 105.19 103.25 2k3a n GLY 131 Ca -0.07 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2k3a n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3a n GLY 132 N -1.08 -0.55 0.34 -0.02 0.00 -1.26 -4.93 105.19 97.70 2k3a n GLY 132 Ca 0.00 -0.77 0.17 0.00 0.00 0.00 0.00 46.02 45.41 2k3a n GLY 132 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2k3a h PRO 133 N 0.00 0.00 0.00 1.61 0.11 -2.02 -1.79 132.00 129.91 2k3a h PRO 133 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 2k3a h PRO 133 Cb 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.03 2k3a h PRO 133 CO 0.00 0.00 -0.50 1.19 -0.21 0.00 0.00 178.00 178.48 2k3a n PHE 134 N -3.10 0.00 -2.32 0.65 3.72 -1.26 -4.87 117.46 110.28 2k3a n PHE 134 Ca -0.00 -1.04 -0.43 0.00 -0.05 0.00 0.00 57.45 55.93 2k3a n PHE 134 Cb 0.39 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 2k3a n PHE 134 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2k3a n SER 135 N -0.75 4.83 -4.83 4.37 3.41 -0.68 -4.98 113.62 115.00 2k3a n SER 135 Ca 0.14 -3.02 -0.22 0.00 -0.26 0.00 0.00 58.87 55.52 2k3a n SER 135 Cb 0.77 -1.55 -0.04 0.00 -0.26 0.00 0.00 64.21 63.13 2k3a n SER 135 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2k3a s VAL 136 N 1.45 3.81 -0.01 -3.33 1.01 -1.26 -2.06 120.40 120.01 2k3a s VAL 136 Ca 0.43 -1.42 0.07 0.00 0.00 0.00 0.00 61.98 61.06 2k3a s VAL 136 Cb 0.08 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 2k3a s VAL 136 CO -0.01 -0.24 -0.23 -0.94 0.00 0.00 0.00 175.10 173.68 2k3a s SER 137 N -3.93 2.70 -0.52 3.32 1.04 0.13 -4.63 113.70 111.82 2k3a s SER 137 Ca 0.38 -0.43 -0.18 0.00 0.48 0.00 0.00 55.95 56.20 2k3a s SER 137 Cb -0.06 -0.29 0.08 0.00 0.10 0.00 0.00 66.02 65.84 2k3a s SER 137 CO 0.26 0.28 0.58 -1.61 0.98 0.00 0.00 173.24 173.72 2k3a s GLU 138 N -0.60 3.06 -0.43 4.02 2.02 -1.26 -1.32 118.70 124.19 2k3a s GLU 138 Ca 0.09 -1.15 -0.12 0.00 0.02 0.00 0.00 54.97 53.81 2k3a s GLU 138 Cb -0.09 -4.16 0.07 0.00 0.10 0.00 0.00 34.13 30.05 2k3a s GLU 138 CO -0.01 -1.25 0.31 0.50 0.02 0.00 0.00 175.26 174.83 2k3a s ARG 139 N 2.33 2.79 -0.56 1.61 3.52 -0.17 -4.95 118.95 123.53 2k3a s ARG 139 Ca 0.11 -1.36 -0.23 0.00 -0.13 0.00 0.00 55.73 54.12 2k3a s ARG 139 Cb -0.22 -3.92 0.05 0.00 -1.56 0.00 0.00 34.95 29.30 2k3a s ARG 139 CO 0.09 -0.95 0.90 0.99 -0.81 0.00 0.00 175.30 175.52 2k3a s THR 140 N 1.53 4.45 0.00 4.11 2.01 -1.26 -1.28 115.64 125.21 2k3a s THR 140 Ca 0.03 0.08 -0.14 0.00 0.31 0.00 0.00 61.69 61.97 2k3a s THR 140 Cb -0.23 -4.52 -0.06 0.00 0.01 0.00 0.00 72.50 67.70 2k3a s THR 140 CO 0.05 -1.12 0.41 -0.63 -0.69 0.00 0.00 174.62 172.64 2k3a s ILE 141 N 3.77 5.03 0.52 1.82 1.01 0.59 -4.89 121.20 129.06 2k3a s ILE 141 Ca 0.27 0.82 -0.22 0.00 0.00 0.00 0.00 60.65 61.52 2k3a s ILE 141 Cb -0.14 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 2k3a s ILE 141 CO 0.17 0.56 1.28 -0.44 0.00 0.00 0.00 174.94 176.51 2k3a s SER 142 N -1.12 5.55 0.20 3.58 0.01 -1.26 -0.68 113.70 119.98 2k3a s SER 142 Ca 0.24 2.57 -0.12 0.00 1.31 0.00 0.00 55.95 59.96 2k3a s SER 142 Cb -0.16 -2.62 0.24 0.00 0.21 0.00 0.00 66.02 63.69 2k3a s SER 142 CO 0.14 -1.36 1.70 0.00 0.41 0.00 0.00 173.24 174.12 2k3a h ALA 143 N 1.58 0.60 -0.67 1.44 0.00 -1.88 0.25 119.26 120.59 2k3a h ALA 143 Ca -0.50 0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.63 2k3a h ALA 143 Cb 1.28 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 2k3a h ALA 143 CO 0.58 -0.34 0.44 0.78 0.00 0.00 0.00 179.25 180.71 2k3a h GLY 144 N 0.20 0.77 0.92 0.00 0.00 -1.92 -0.96 103.07 102.09 2k3a h GLY 144 Ca 0.28 -0.23 -0.32 0.00 0.00 0.00 0.00 47.33 47.06 2k3a h GLY 144 CO -0.40 0.15 -1.76 -2.09 0.00 0.00 0.00 176.54 172.43 2k3a h GLU 145 N 0.56 0.17 -0.17 4.80 4.81 -1.67 -3.35 114.58 119.73 2k3a h GLU 145 Ca 0.30 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2k3a h GLU 145 Cb 0.45 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2k3a h GLU 145 CO -0.10 0.93 0.07 0.00 -0.73 0.00 0.00 179.01 179.19 2k3a h ALA 146 N 0.52 0.22 0.00 2.92 0.00 -0.13 -2.20 119.26 120.58 2k3a h ALA 146 Ca -0.32 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2k3a h ALA 146 Cb 2.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2k3a h ALA 146 CO 0.11 -0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.02 2k3a n SER 147 N -4.87 0.00 0.04 0.00 3.41 -0.40 -0.95 113.62 110.85 2k3a n SER 147 Ca -0.04 0.39 0.13 0.00 -0.26 0.00 0.00 58.87 59.09 2k3a n SER 147 Cb 0.11 -0.44 0.52 0.00 -0.26 0.00 0.00 64.21 64.15 2k3a n SER 147 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2k3a n SER 148 N -1.44 0.31 -4.64 4.04 2.88 -0.83 -4.75 113.62 109.19 2k3a n SER 148 Ca 0.03 0.53 -0.35 0.00 -1.33 0.00 0.00 58.87 57.76 2k3a n SER 148 Cb 0.11 -0.61 -0.10 0.00 -0.75 0.00 0.00 64.21 62.86 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 -3.05 3.18 -0.03 0.66 2.02 -0.12 -5.01 117.35 115.00 2k3a s TYR 149 Ca 0.12 0.07 -0.28 0.00 -0.37 0.00 0.00 57.07 56.61 2k3a s TYR 149 Cb 0.16 -1.91 -0.03 0.00 -0.40 0.00 0.00 41.96 39.77 2k3a s TYR 149 CO 0.53 0.29 0.89 0.54 -1.57 0.00 0.00 175.55 176.23 2k3a s ASN 150 N -0.29 7.24 -0.25 2.29 4.22 -1.21 -4.73 114.94 122.22 2k3a s ASN 150 Ca 0.07 1.50 -0.11 0.00 -2.14 0.00 0.00 52.86 52.18 2k3a s ASN 150 Cb -0.12 -2.52 -0.05 0.00 1.28 0.00 0.00 41.25 39.84 2k3a s ASN 150 CO 0.02 -0.23 0.17 -0.31 -2.04 0.00 0.00 177.10 174.71 2k3a s TYR 151 N 1.01 3.29 -0.17 1.54 1.51 0.07 -0.81 117.35 123.77 2k3a s TYR 151 Ca 0.47 0.19 -0.23 0.00 -1.01 0.00 0.00 57.07 56.49 2k3a s TYR 151 Cb -0.20 -2.30 -0.02 0.00 -0.11 0.00 0.00 41.96 39.34 2k3a s TYR 151 CO 0.24 0.01 0.74 0.42 -1.11 0.00 0.00 175.55 175.85 2k3a s ILE 152 N 1.23 4.95 0.10 2.71 1.09 0.80 -1.21 121.20 130.87 2k3a s ILE 152 Ca 0.07 1.44 0.08 0.00 -1.10 0.00 0.00 60.65 61.14 2k3a s ILE 152 Cb -0.14 -4.05 -0.04 0.00 -1.06 0.00 0.00 42.46 37.17 2k3a s ILE 152 CO 0.06 0.07 -0.13 -1.00 -0.10 0.00 0.00 174.94 173.84 2k3a s HIS 153 N 1.97 2.66 -0.15 3.97 3.76 0.15 -1.56 115.29 126.09 2k3a s HIS 153 Ca 0.34 -0.20 -0.18 0.00 -0.15 0.00 0.00 55.06 54.88 2k3a s HIS 153 Cb -0.16 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.08 2k3a s HIS 153 CO 0.12 0.40 0.46 -0.51 -0.85 0.00 0.00 174.74 174.36 2k3a s LEU 154 N -2.14 4.23 0.00 0.89 1.43 -1.26 -2.09 118.68 119.74 2k3a s LEU 154 Ca 0.20 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 2k3a s LEU 154 Cb -0.11 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.46 2k3a s LEU 154 CO 0.12 -0.04 0.45 -0.46 0.23 0.00 0.00 176.35 176.65