#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 2.13 -0.17 0.03 -0.14 -1.26 -4.92 119.74 115.41 2k3a s LYS 2 Ca 0.00 0.40 0.01 0.00 -1.36 0.00 0.00 55.97 55.02 2k3a s LYS 2 Cb 0.00 -4.79 0.02 0.00 -1.68 0.00 0.00 37.83 31.38 2k3a s LYS 2 CO 0.00 -3.67 -0.19 0.15 -0.76 0.00 0.00 175.35 170.88 2k3a s LYS 3 N 7.92 2.82 -0.83 1.68 1.02 -1.26 -5.07 119.74 126.01 2k3a s LYS 3 Ca 0.82 -0.76 -0.25 0.00 0.02 0.00 0.00 55.97 55.80 2k3a s LYS 3 Cb -0.11 -2.43 0.04 0.00 -0.52 0.00 0.00 37.83 34.80 2k3a s LYS 3 CO 0.10 -0.19 1.31 -0.51 -0.92 0.00 0.00 175.35 175.13 2k3a s LEU 4 N 1.28 3.41 -0.54 3.17 1.43 -1.26 -4.97 118.68 121.19 2k3a s LEU 4 Ca 0.03 -0.85 -0.28 0.00 -1.03 0.00 0.00 54.13 52.01 2k3a s LEU 4 Cb -0.13 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.54 2k3a s LEU 4 CO -0.11 -1.69 1.55 0.68 0.23 0.00 0.00 176.35 177.01 2k3a s VAL 5 N 5.29 3.66 -0.22 -1.59 -7.23 -1.26 -4.95 120.40 114.10 2k3a s VAL 5 Ca 0.37 0.55 -0.17 0.00 -1.81 0.00 0.00 61.98 60.93 2k3a s VAL 5 Cb -0.06 -4.25 0.06 0.00 0.56 0.00 0.00 36.38 32.69 2k3a s VAL 5 CO 0.06 -1.03 0.57 0.28 -0.31 0.00 0.00 175.10 174.67 2k3a s THR 6 N 6.74 -0.00 -0.25 5.32 -1.32 -1.26 -5.15 115.64 119.71 2k3a s THR 6 Ca 0.58 0.02 -0.02 0.00 -1.21 0.00 0.00 61.69 61.06 2k3a s THR 6 Cb -0.13 -0.81 0.02 0.00 -1.51 0.00 0.00 72.50 70.08 2k3a s THR 6 CO 0.25 0.01 -0.05 0.00 -2.21 0.00 0.00 174.62 172.62 2k3a s ALA 7 N 0.80 2.73 -0.88 11.08 0.00 -1.26 -5.04 121.76 129.19 2k3a s ALA 7 Ca -0.04 -1.46 -0.26 0.00 0.00 0.00 0.00 51.96 50.21 2k3a s ALA 7 Cb -0.05 -1.72 -0.13 0.00 0.00 0.00 0.00 23.12 21.22 2k3a s ALA 7 CO -0.06 -0.82 2.24 0.99 0.00 0.00 0.00 175.76 178.11 2k3a s THR 8 N 1.34 3.14 -0.12 0.00 2.01 -1.26 -4.91 115.64 115.84 2k3a s THR 8 Ca 0.00 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.83 2k3a s THR 8 Cb -0.17 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 2k3a s THR 8 CO -0.04 -0.29 -0.01 -0.89 -0.69 0.00 0.00 174.62 172.69 2k3a s THR 9 N 13.83 4.16 0.41 -0.82 2.01 -1.26 -5.11 115.64 128.86 2k3a s THR 9 Ca 0.84 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 62.60 2k3a s THR 9 Cb -0.10 -2.79 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 2k3a s THR 9 CO 0.07 0.54 0.13 -0.76 -0.69 0.00 0.00 174.62 173.92 2k3a s LEU 10 N -0.25 1.99 -0.04 4.42 1.43 -1.26 -5.18 118.68 119.78 2k3a s LEU 10 Ca 0.05 -1.68 -0.28 0.00 -1.03 0.00 0.00 54.13 51.19 2k3a s LEU 10 Cb -0.12 -0.08 0.06 0.00 0.03 0.00 0.00 46.19 46.07 2k3a s LEU 10 CO 0.02 -0.94 0.61 0.28 0.23 0.00 0.00 176.35 176.55 2k3a s THR 11 N -3.21 0.01 0.57 5.49 -1.32 -1.26 -5.19 115.64 110.72 2k3a s THR 11 Ca 0.24 -0.09 0.06 0.00 -1.21 0.00 0.00 61.69 60.70 2k3a s THR 11 Cb 0.02 -0.93 0.06 0.00 -1.51 0.00 0.00 72.50 70.14 2k3a s THR 11 CO 0.15 -0.05 0.52 0.00 -2.21 0.00 0.00 174.62 173.03 2k3a s ALA 12 N -1.25 4.56 0.00 11.08 0.00 -1.26 -5.04 121.76 129.85 2k3a s ALA 12 Ca -0.11 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.41 2k3a s ALA 12 Cb -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.20 2k3a s ALA 12 CO 0.09 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.66 2k3a n GLY 13 N -1.93 -3.15 0.33 0.00 0.00 -1.26 -5.09 105.19 94.08 2k3a n GLY 13 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2k3a n GLY 13 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2k3a n ILE 14 N 0.28 0.00 -4.55 -0.61 3.06 -1.26 -5.18 119.36 111.11 2k3a n ILE 14 Ca 0.00 0.00 -0.26 0.00 -2.50 0.00 0.00 62.75 59.99 2k3a n ILE 14 Cb 0.00 0.00 -0.11 0.00 0.54 0.00 0.00 39.64 40.07 2k3a n ILE 14 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 2k3a s GLY 15 N -1.24 2.27 0.17 4.50 0.00 -1.26 -5.16 107.32 106.60 2k3a s GLY 15 Ca 0.00 -2.14 -0.22 0.00 0.00 0.00 0.00 44.72 42.36 2k3a s GLY 15 CO 0.00 -2.05 0.58 0.00 0.00 0.00 0.00 173.10 171.64 2k3a s ALA 16 N -2.63 -1.45 0.30 3.20 0.00 -1.26 -5.19 121.76 114.73 2k3a s ALA 16 Ca 0.33 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.69 2k3a s ALA 16 Cb 0.04 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 2k3a s ALA 16 CO 0.17 -0.78 0.18 0.00 0.00 0.00 0.00 175.76 175.33 2k3a s ALA 17 N -3.78 3.57 0.49 0.00 0.00 -1.26 -5.13 121.76 115.65 2k3a s ALA 17 Ca 0.02 -1.64 -0.12 0.00 0.00 0.00 0.00 51.96 50.23 2k3a s ALA 17 Cb -0.01 -1.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.03 2k3a s ALA 17 CO -0.11 0.12 0.89 -1.50 0.00 0.00 0.00 175.76 175.16 2k3a s ILE 18 N -2.30 4.70 -0.05 0.00 2.07 -1.26 -5.06 121.20 119.31 2k3a s ILE 18 Ca 0.36 0.81 -0.04 0.00 -1.41 0.00 0.00 60.65 60.37 2k3a s ILE 18 Cb -0.06 -3.77 -0.01 0.00 0.13 0.00 0.00 42.46 38.75 2k3a s ILE 18 CO 0.24 -0.73 -0.08 0.52 -1.91 0.00 0.00 174.94 172.98 2k3a n VAL 19 N -1.76 0.50 -2.17 4.00 0.31 -1.26 -5.08 118.33 112.86 2k3a n VAL 19 Ca 0.04 0.39 -0.03 0.00 -0.01 0.00 0.00 64.34 64.74 2k3a n VAL 19 Cb 0.54 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 2k3a n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k3a n GLY 20 N 1.63 -0.94 3.77 2.92 0.00 -1.26 -5.03 105.19 106.28 2k3a n GLY 20 Ca -0.03 0.47 -0.37 0.00 0.00 0.00 0.00 46.02 46.09 2k3a n GLY 20 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k3a s LEU 21 N -2.03 4.31 -1.05 0.99 0.20 -1.26 -5.02 118.68 114.81 2k3a s LEU 21 Ca 0.10 0.55 -0.22 0.00 0.69 0.00 0.00 54.13 55.24 2k3a s LEU 21 Cb -0.03 -2.32 0.06 0.00 -0.43 0.00 0.00 46.19 43.48 2k3a s LEU 21 CO 0.37 0.20 1.45 -1.81 -0.29 0.00 0.00 176.35 176.27 2k3a s ASP 22 N -0.08 6.57 -0.20 3.68 1.11 -1.26 -4.92 116.67 121.57 2k3a s ASP 22 Ca 0.16 -1.67 -0.10 0.00 0.18 0.00 0.00 52.55 51.12 2k3a s ASP 22 Cb -0.13 -2.55 0.07 0.00 1.07 0.00 0.00 42.92 41.38 2k3a s ASP 22 CO 0.05 -1.40 0.48 -2.28 1.18 0.00 0.00 175.17 173.19 2k3a s HIS 23 N 4.57 -0.75 0.00 4.23 2.46 -1.26 -5.11 115.29 119.43 2k3a s HIS 23 Ca 0.45 1.53 0.00 0.00 0.47 0.00 0.00 55.06 57.52 2k3a s HIS 23 Cb -0.00 0.37 0.00 0.00 -0.13 0.00 0.00 32.58 32.82 2k3a s HIS 23 CO -0.07 -0.41 0.00 0.41 -2.47 0.00 0.00 174.74 172.19 2k3a n GLY 24 N 4.47 1.31 2.00 1.59 0.00 -1.26 -5.07 105.19 108.23 2k3a n GLY 24 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2k3a n GLY 24 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k3a n ASN 25 N -0.46 -0.03 -4.27 1.61 5.15 -1.26 -5.16 115.26 110.83 2k3a n ASN 25 Ca 0.00 0.02 -0.15 0.00 -0.60 0.00 0.00 54.58 53.85 2k3a n ASN 25 Cb 0.00 0.13 -0.10 0.00 -0.53 0.00 0.00 39.78 39.28 2k3a n ASN 25 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2k3a s GLU 26 N -1.03 1.12 -0.30 1.20 -1.05 -1.26 -5.14 118.70 112.24 2k3a s GLU 26 Ca 0.00 -1.49 -0.07 0.00 -0.15 0.00 0.00 54.97 53.27 2k3a s GLU 26 Cb 0.00 -0.71 0.19 0.00 -0.44 0.00 0.00 34.13 33.17 2k3a s GLU 26 CO 0.00 0.08 0.87 0.00 0.95 0.00 0.00 175.26 177.17 2k3a s ALA 27 N -3.27 -3.18 -0.19 -0.84 0.00 -1.26 -5.17 121.76 107.85 2k3a s ALA 27 Ca 0.18 1.42 -0.28 0.00 0.00 0.00 0.00 51.96 53.28 2k3a s ALA 27 Cb 0.02 -2.54 0.09 0.00 0.00 0.00 0.00 23.12 20.70 2k3a s ALA 27 CO 0.02 -1.68 0.84 0.34 0.00 0.00 0.00 175.76 175.27 2k3a s ASP 28 N 2.91 -0.58 -0.05 0.00 2.15 -1.26 -5.19 116.67 114.66 2k3a s ASP 28 Ca 0.13 0.90 -0.31 0.00 0.43 0.00 0.00 52.55 53.70 2k3a s ASP 28 Cb -0.09 0.84 0.07 0.00 -0.30 0.00 0.00 42.92 43.44 2k3a s ASP 28 CO -0.19 -0.34 0.69 0.00 -0.17 0.00 0.00 175.17 175.15 2k3a s ALA 29 N -0.39 -1.77 -1.13 3.66 0.00 -1.26 -5.04 121.76 115.83 2k3a s ALA 29 Ca -0.03 1.32 0.21 0.00 0.00 0.00 0.00 51.96 53.46 2k3a s ALA 29 Cb -0.03 -0.01 0.96 0.00 0.00 0.00 0.00 23.12 24.04 2k3a s ALA 29 CO 0.02 -0.37 1.68 0.00 0.00 0.00 0.00 175.76 177.09 2k3a n ALA 30 N 0.89 2.01 1.02 0.00 0.00 -1.26 -2.67 120.51 120.50 2k3a n ALA 30 Ca -0.19 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.29 2k3a n ALA 30 Cb 0.57 -1.34 0.14 0.00 0.00 0.00 0.00 19.45 18.82 2k3a n ALA 30 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k3a n GLU 31 N -1.44 0.10 -2.23 0.00 1.02 -1.26 -4.99 120.64 111.84 2k3a n GLU 31 Ca 0.07 -0.07 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 2k3a n GLU 31 Cb 0.22 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.28 2k3a n GLU 31 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2k3a s GLN 32 N -2.95 1.30 0.09 3.49 -2.07 -1.09 -5.06 119.66 113.38 2k3a s GLN 32 Ca 0.11 -0.66 -0.23 0.00 -1.82 0.00 0.00 55.36 52.76 2k3a s GLN 32 Cb 0.17 -2.09 -0.07 0.00 -1.09 0.00 0.00 33.01 29.94 2k3a s GLN 32 CO 0.74 -1.84 0.70 0.95 -1.32 0.00 0.00 175.29 174.51 2k3a s THR 33 N -3.49 4.62 -0.48 3.63 -4.23 -1.26 -5.04 115.64 109.39 2k3a s THR 33 Ca 0.69 1.50 0.07 0.00 -1.18 0.00 0.00 61.69 62.76 2k3a s THR 33 Cb -0.06 -4.04 0.18 0.00 1.34 0.00 0.00 72.50 69.93 2k3a s THR 33 CO 0.48 0.48 0.65 -1.58 -0.54 0.00 0.00 174.62 174.12 2k3a s GLN 34 N -0.76 0.99 0.52 3.99 0.74 -1.26 -5.11 119.66 118.77 2k3a s GLN 34 Ca 0.34 -1.00 0.06 0.00 0.05 0.00 0.00 55.36 54.81 2k3a s GLN 34 Cb -0.21 -0.19 0.05 0.00 1.10 0.00 0.00 33.01 33.76 2k3a s GLN 34 CO 0.22 -1.30 0.72 -1.25 -0.55 0.00 0.00 175.29 173.13 2k3a s PRO 35 N 1.01 2.51 0.39 1.67 0.04 -1.26 -5.02 135.00 134.35 2k3a s PRO 35 Ca 0.27 -1.21 0.20 0.00 0.04 0.00 0.00 61.00 60.30 2k3a s PRO 35 Cb -0.01 -2.62 0.72 0.00 0.04 0.00 0.00 34.50 32.63 2k3a s PRO 35 CO -0.07 -0.64 1.75 0.00 0.04 0.00 0.00 177.00 178.08 2k3a h THR 36 N 0.27 0.78 -2.90 1.26 1.03 -2.02 -3.43 112.91 107.90 2k3a h THR 36 Ca -0.38 -1.42 -0.57 0.00 -0.01 0.00 0.00 66.41 64.03 2k3a h THR 36 Cb 1.28 1.90 -0.04 0.00 -1.07 0.00 0.00 68.15 70.23 2k3a h THR 36 CO 0.45 0.33 1.19 0.21 -0.01 0.00 0.00 175.52 177.69 2k3a s ASN 37 N -6.36 6.06 -1.05 0.00 3.04 -1.26 -4.94 114.94 110.42 2k3a s ASN 37 Ca 0.00 1.07 -0.11 0.00 0.04 0.00 0.00 52.86 53.87 2k3a s ASN 37 Cb 0.11 -2.53 0.26 0.00 -1.54 0.00 0.00 41.25 37.54 2k3a s ASN 37 CO 0.67 -1.62 1.05 -1.58 -3.04 0.00 0.00 177.10 172.59 2k3a s GLN 38 N 5.40 4.05 0.50 0.43 0.74 -1.26 -5.03 119.66 124.50 2k3a s GLN 38 Ca 0.72 -2.99 0.03 0.00 0.05 0.00 0.00 55.36 53.17 2k3a s GLN 38 Cb -0.19 -4.56 0.03 0.00 1.10 0.00 0.00 33.01 29.40 2k3a s GLN 38 CO 0.33 -1.29 0.25 0.45 -0.55 0.00 0.00 175.29 174.48 2k3a n SER 39 N 3.20 2.89 -0.59 6.67 2.88 -1.26 -5.08 113.62 122.34 2k3a n SER 39 Ca 0.22 -2.90 0.04 0.00 -1.33 0.00 0.00 58.87 54.90 2k3a n SER 39 Cb 0.41 0.09 0.06 0.00 -0.75 0.00 0.00 64.21 64.02 2k3a n SER 39 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2k3a n THR 40 N -1.53 0.64 -2.89 2.46 -2.24 -1.26 -5.10 114.28 104.36 2k3a n THR 40 Ca -0.08 -1.01 -0.12 0.00 -2.27 0.00 0.00 64.05 60.57 2k3a n THR 40 Cb 0.60 0.35 0.05 0.00 -2.10 0.00 0.00 70.33 69.22 2k3a n THR 40 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2k3a n THR 41 N -0.35 0.00 -2.06 4.28 -2.24 -1.26 -5.08 114.28 107.57 2k3a n THR 41 Ca 0.07 -1.08 -0.36 0.00 -2.27 0.00 0.00 64.05 60.41 2k3a n THR 41 Cb 0.77 -0.81 0.03 0.00 -2.10 0.00 0.00 70.33 68.21 2k3a n THR 41 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2k3a s GLN 42 N -3.64 3.12 0.05 -0.78 -0.21 -1.26 -5.06 119.66 111.88 2k3a s GLN 42 Ca 0.36 1.82 0.04 0.00 0.02 0.00 0.00 55.36 57.60 2k3a s GLN 42 Cb -0.03 -2.00 -0.03 0.00 1.00 0.00 0.00 33.01 31.95 2k3a s GLN 42 CO 0.23 -1.09 -0.11 -1.12 -2.12 0.00 0.00 175.29 171.08 2k3a s SER 43 N -1.56 1.29 0.35 5.90 0.01 -1.26 -4.69 113.70 113.75 2k3a s SER 43 Ca 0.75 -0.55 0.07 0.00 1.31 0.00 0.00 55.95 57.53 2k3a s SER 43 Cb -0.30 -0.02 -0.07 0.00 0.21 0.00 0.00 66.02 65.84 2k3a s SER 43 CO 0.33 -0.11 -0.02 0.42 0.41 0.00 0.00 173.24 174.27 2k3a s THR 44 N -1.21 1.85 -0.21 1.44 -4.23 -1.26 -5.10 115.64 106.91 2k3a s THR 44 Ca -0.05 -2.08 -0.13 0.00 -1.18 0.00 0.00 61.69 58.25 2k3a s THR 44 Cb -0.09 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 2k3a s THR 44 CO 0.01 -0.11 0.29 -0.44 -0.54 0.00 0.00 174.62 173.83 2k3a s SER 45 N -3.59 6.32 0.71 3.99 0.01 -1.26 -5.09 113.70 114.79 2k3a s SER 45 Ca 0.33 0.37 -0.02 0.00 1.31 0.00 0.00 55.95 57.94 2k3a s SER 45 Cb 0.07 -2.17 0.05 0.00 0.21 0.00 0.00 66.02 64.17 2k3a s SER 45 CO 0.16 0.01 0.32 0.61 0.41 0.00 0.00 173.24 174.76 2k3a n GLY 46 N 3.93 -0.14 2.89 3.44 0.00 -1.26 -4.89 105.19 109.16 2k3a n GLY 46 Ca -0.11 -1.85 -0.24 0.00 0.00 0.00 0.00 46.02 43.82 2k3a n GLY 46 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k3a n SER 47 N -3.09 2.09 -0.19 1.61 2.88 -0.91 -4.91 113.62 111.08 2k3a n SER 47 Ca 0.05 -2.82 0.00 0.00 -1.33 0.00 0.00 58.87 54.76 2k3a n SER 47 Cb 0.17 0.60 0.00 0.00 -0.75 0.00 0.00 64.21 64.23 2k3a n SER 47 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k3a n SER 48 N -1.45 0.00 -3.96 -3.46 7.64 -1.26 -3.15 113.62 107.98 2k3a n SER 48 Ca -0.11 -1.21 -0.29 0.00 1.01 0.00 0.00 58.87 58.28 2k3a n SER 48 Cb 0.52 -0.04 -0.16 0.00 -1.01 0.00 0.00 64.21 63.51 2k3a n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3a s ALA 49 N 0.00 1.71 -1.07 -0.43 0.00 -1.26 -4.98 121.76 115.73 2k3a s ALA 49 Ca 0.00 -0.90 -0.22 0.00 0.00 0.00 0.00 51.96 50.84 2k3a s ALA 49 Cb 0.00 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 22.04 2k3a s ALA 49 CO 0.00 -0.59 1.67 -0.80 0.00 0.00 0.00 175.76 176.04 2k3a s ASN 50 N 1.54 6.13 -0.37 0.00 -0.87 -1.26 -4.83 114.94 115.27 2k3a s ASN 50 Ca 0.02 -1.51 -0.04 0.00 -1.57 0.00 0.00 52.86 49.76 2k3a s ASN 50 Cb -0.14 -2.57 -0.02 0.00 -0.02 0.00 0.00 41.25 38.49 2k3a s ASN 50 CO -0.09 -1.87 2.99 0.18 -2.57 0.00 0.00 177.10 175.74 2k3a n LEU 51 N 10.45 6.21 0.00 0.60 4.77 -1.26 -4.88 117.00 132.89 2k3a n LEU 51 Ca 0.39 -3.86 0.00 0.00 -0.03 0.00 0.00 56.01 52.51 2k3a n LEU 51 Cb 0.49 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 2k3a n LEU 51 CO 0.67 1.73 0.00 -1.22 -1.33 0.00 0.00 177.39 177.25 2k3a n TYR 52 N 1.33 0.00 -4.76 -1.77 4.01 -1.26 -5.08 117.16 109.64 2k3a n TYR 52 Ca 0.48 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.91 2k3a n TYR 52 Cb 0.64 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.53 2k3a n TYR 52 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2k3a s THR 53 N 1.24 2.60 -1.00 -0.72 -1.32 -1.26 -5.06 115.64 110.12 2k3a s THR 53 Ca 0.00 -1.22 -0.24 0.00 -1.21 0.00 0.00 61.69 59.02 2k3a s THR 53 Cb 0.00 -2.06 -0.07 0.00 -1.51 0.00 0.00 72.50 68.86 2k3a s THR 53 CO 0.00 0.37 1.96 0.00 -2.21 0.00 0.00 174.62 174.74 2k3a s ALA 54 N -0.87 1.65 0.00 11.08 0.00 -1.26 -2.81 121.76 129.56 2k3a s ALA 54 Ca 0.13 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.39 2k3a s ALA 54 Cb -0.10 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.42 2k3a s ALA 54 CO 0.04 -5.04 0.00 0.41 0.00 0.00 0.00 175.76 171.17 2k3a n GLY 55 N 6.48 0.49 3.82 0.00 0.00 -1.26 -3.82 105.19 110.90 2k3a n GLY 55 Ca 0.42 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 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 4.11 0.27 1.61 -1.52 -1.12 -4.66 119.66 118.35 2k3a s GLN 56 Ca 0.00 1.10 -0.01 0.00 -1.95 0.00 0.00 55.36 54.51 2k3a s GLN 56 Cb 0.00 -2.16 0.50 0.00 -0.22 0.00 0.00 33.01 31.13 2k3a s GLN 56 CO 0.00 -0.13 1.82 0.00 -0.25 0.00 0.00 175.29 176.73 2k3a h THR 58 N 0.91 0.46 -0.20 0.00 1.35 -1.90 -3.05 112.91 110.49 2k3a h THR 58 Ca 0.46 -0.28 -0.00 0.00 -0.55 0.00 0.00 66.41 66.04 2k3a h THR 58 Cb 0.45 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 2k3a h THR 58 CO -0.26 0.06 0.12 -0.25 -0.25 0.00 0.00 175.52 174.93 2k3a h TRP 59 N 0.00 0.27 0.24 4.73 7.01 -1.40 -2.52 115.95 124.28 2k3a h TRP 59 Ca -0.00 -0.00 -0.34 0.00 2.11 0.00 0.00 58.89 60.66 2k3a h TRP 59 Cb 0.19 -0.09 0.03 0.00 -2.10 0.00 0.00 29.16 27.19 2k3a h TRP 59 CO 0.00 0.22 -1.51 0.10 -2.79 0.00 0.00 178.44 174.46 2k3a h TYR 60 N 0.24 0.94 -0.84 2.65 -0.00 -1.67 -3.35 116.97 114.94 2k3a h TYR 60 Ca 0.07 -0.69 0.06 0.00 0.00 0.00 0.00 58.73 58.18 2k3a h TYR 60 Cb 0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 36.73 36.66 2k3a h TYR 60 CO -0.05 1.57 0.52 0.28 -0.00 0.00 0.00 178.16 180.48 2k3a h VAL 61 N 0.14 1.04 -0.91 -0.90 2.07 -1.54 -0.50 116.25 115.65 2k3a h VAL 61 Ca -0.26 -0.33 0.10 0.00 0.82 0.00 0.00 66.70 67.02 2k3a h VAL 61 Cb 2.16 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 2k3a h VAL 61 CO 0.26 0.17 0.59 0.22 0.02 0.00 0.00 177.57 178.84 2k3a h TYR 62 N 0.96 1.00 0.16 1.57 3.20 -1.58 -1.11 116.97 121.17 2k3a h TYR 62 Ca 0.37 0.03 -0.31 0.00 3.14 0.00 0.00 58.73 61.95 2k3a h TYR 62 Cb 0.16 -0.32 0.03 0.00 1.54 0.00 0.00 36.73 38.14 2k3a h TYR 62 CO -0.03 0.46 -1.31 0.22 -1.64 0.00 0.00 178.16 175.85 2k3a h ASP 63 N 0.93 0.85 -0.69 -2.11 3.58 -1.50 0.38 116.42 117.86 2k3a h ASP 63 Ca 0.42 -0.82 0.11 0.00 0.42 0.00 0.00 57.03 57.17 2k3a h ASP 63 Cb 0.39 -0.27 -0.08 0.00 1.72 0.00 0.00 39.33 41.09 2k3a h ASP 63 CO -0.18 1.62 0.28 0.11 -2.88 0.00 0.00 179.24 178.19 2k3a h LYS 64 N 0.23 0.46 0.00 0.28 1.79 -0.29 -1.71 116.57 117.32 2k3a h LYS 64 Ca -0.20 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.19 2k3a h LYS 64 Cb 1.99 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 32.53 2k3a h LYS 64 CO 0.25 0.30 -0.24 -0.24 -1.08 0.00 0.00 179.45 178.44 2k3a h VAL 65 N 0.47 0.42 0.00 0.50 3.04 -1.33 -3.48 116.25 115.87 2k3a h VAL 65 Ca 0.35 -1.59 0.00 0.00 -1.01 0.00 0.00 66.70 64.46 2k3a h VAL 65 Cb 0.46 2.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.94 2k3a h VAL 65 CO -0.33 0.24 0.00 0.61 -1.01 0.00 0.00 177.57 177.08 2k3a n GLY 66 N 1.16 1.16 2.98 3.17 0.00 -0.64 -4.53 105.19 108.48 2k3a n GLY 66 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.38 2.81 2.74 -0.02 0.00 0.13 -4.71 105.19 104.76 2k3a n GLY 67 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 4.17 0.09 1.61 3.02 -1.19 -2.15 115.26 120.81 2k3a n ASN 68 Ca 0.00 -2.78 0.00 0.00 -0.03 0.00 0.00 54.58 51.77 2k3a n ASN 68 Cb 0.00 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 37.61 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 5.07 0.00 0.00 2.41 -5.35 -1.26 -4.81 119.36 115.41 2k3a n ILE 69 Ca 0.54 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 63.02 2k3a n ILE 69 Cb 0.37 -0.33 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 2k3a n ILE 69 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k3a n GLY 70 N 0.46 2.20 0.36 3.28 0.00 -1.25 -4.93 105.19 105.31 2k3a n GLY 70 Ca 0.00 -0.07 0.19 0.00 0.00 0.00 0.00 46.02 46.14 2k3a n GLY 70 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2k3a h SER 71 N 0.00 0.00 0.25 1.61 4.64 -1.88 -1.90 113.55 116.26 2k3a h SER 71 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k3a h SER 71 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2k3a h SER 71 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2k3a h THR 72 N 0.00 0.00 -0.61 2.95 1.03 -1.98 -2.82 112.91 111.48 2k3a h THR 72 Ca 0.18 -0.10 -0.02 0.00 -0.01 0.00 0.00 66.41 66.47 2k3a h THR 72 Cb 0.81 0.81 -0.03 0.00 -1.07 0.00 0.00 68.15 68.67 2k3a h THR 72 CO -0.00 0.00 0.32 -0.50 -0.01 0.00 0.00 175.52 175.33 2k3a h TRP 73 N 0.00 0.85 0.00 0.00 4.06 -1.73 -3.46 115.95 115.67 2k3a h TRP 73 Ca 0.00 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.92 2k3a h TRP 73 Cb 0.12 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.01 2k3a h TRP 73 CO 0.00 0.63 0.00 0.41 -3.56 0.00 0.00 178.44 175.92 2k3a n GLY 74 N -1.01 0.87 3.75 1.49 0.00 -1.07 -4.63 105.19 104.60 2k3a n GLY 74 Ca 0.04 0.44 -0.40 0.00 0.00 0.00 0.00 46.02 46.10 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 7.57 0.53 1.61 0.01 -1.26 -4.88 114.94 114.52 2k3a s ASN 75 Ca 0.00 2.00 0.20 0.00 -0.71 0.00 0.00 52.86 54.35 2k3a s ASN 75 Cb 0.00 -2.61 1.40 0.00 0.41 0.00 0.00 41.25 40.45 2k3a s ASN 75 CO 0.00 0.09 2.16 0.00 -1.51 0.00 0.00 177.10 177.85 2k3a h ALA 76 N 4.16 1.83 0.00 0.60 0.00 -1.69 0.27 119.26 124.42 2k3a h ALA 76 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2k3a h ALA 76 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2k3a h ALA 76 CO 0.68 0.02 0.00 -2.95 0.00 0.00 0.00 179.25 177.00 2k3a h ASN 77 N 0.00 0.00 0.19 0.00 7.08 -1.16 -3.13 115.58 118.57 2k3a h ASN 77 Ca -0.00 0.00 -0.35 0.00 -3.08 0.00 0.00 56.30 52.87 2k3a h ASN 77 Cb 0.04 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.23 2k3a h ASN 77 CO 0.00 0.00 -2.08 -3.20 -2.08 0.00 0.00 177.43 170.07 2k3a n ASN 78 N -2.73 1.15 -0.18 6.14 5.15 0.07 -4.72 115.26 120.14 2k3a n ASN 78 Ca 0.00 0.16 -0.05 0.00 -0.60 0.00 0.00 54.58 54.10 2k3a n ASN 78 Cb 0.22 -0.05 -0.04 0.00 -0.53 0.00 0.00 39.78 39.37 2k3a n ASN 78 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 2k3a n TRP 79 N -3.11 -0.18 -0.35 1.20 7.02 -1.12 -0.59 117.44 120.31 2k3a n TRP 79 Ca -0.30 0.52 0.01 0.00 -1.02 0.00 0.00 57.50 56.72 2k3a n TRP 79 Cb 1.07 -0.48 0.18 0.00 -2.42 0.00 0.00 31.31 29.65 2k3a n TRP 79 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2k3a h ALA 80 N -0.15 1.39 -0.27 6.99 0.00 -1.85 0.14 119.26 125.52 2k3a h ALA 80 Ca 0.07 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2k3a h ALA 80 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2k3a h ALA 80 CO -0.39 0.50 -0.12 0.77 0.00 0.00 0.00 179.25 180.01 2k3a h SER 81 N 1.19 0.56 -0.31 0.00 0.02 -1.15 -1.70 113.55 112.17 2k3a h SER 81 Ca 0.39 -0.40 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 2k3a h SER 81 Cb 0.05 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2k3a h SER 81 CO -0.13 0.84 -0.19 0.00 -1.14 0.00 0.00 176.83 176.21 2k3a h ALA 82 N 0.74 0.91 0.96 3.77 0.00 -0.49 -1.17 119.26 123.98 2k3a h ALA 82 Ca 0.06 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2k3a h ALA 82 Cb 0.62 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k3a h ALA 82 CO 0.04 0.62 -0.47 0.00 0.00 0.00 0.00 179.25 179.44 2k3a h ALA 83 N 1.10 -1.31 -0.38 0.00 0.00 -0.68 0.20 119.26 118.20 2k3a h ALA 83 Ca 0.10 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2k3a h ALA 83 Cb 0.69 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2k3a h ALA 83 CO 0.05 -1.24 0.25 0.66 0.00 0.00 0.00 179.25 178.98 2k3a h SER 84 N -1.30 0.26 -0.16 0.00 4.64 -1.30 0.18 113.55 115.88 2k3a h SER 84 Ca -0.13 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.01 2k3a h SER 84 Cb 1.00 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 63.04 2k3a h SER 84 CO 0.21 0.18 -0.58 -1.28 -0.87 0.00 0.00 176.83 174.49 2k3a h SER 85 N 0.30 0.78 0.70 4.97 0.87 -1.06 -3.27 113.55 116.83 2k3a h SER 85 Ca 0.16 -0.61 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2k3a h SER 85 Cb 0.27 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2k3a h SER 85 CO -0.03 1.26 0.00 0.00 -0.53 0.00 0.00 176.83 177.52 2k3a n ALA 86 N -2.56 2.18 0.00 6.23 0.00 0.71 -4.86 120.51 122.20 2k3a n ALA 86 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2k3a n ALA 86 Cb 0.64 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2k3a n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3a n GLY 87 N 0.96 1.13 3.90 0.00 0.00 -0.84 -5.04 105.19 105.30 2k3a n GLY 87 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 3.07 -0.47 1.61 1.51 0.58 -4.77 117.35 116.88 2k3a s TYR 88 Ca 0.00 0.82 -0.11 0.00 -1.01 0.00 0.00 57.07 56.77 2k3a s TYR 88 Cb 0.00 -3.33 0.10 0.00 -0.11 0.00 0.00 41.96 38.62 2k3a s TYR 88 CO 0.00 -1.55 0.35 0.99 -1.11 0.00 0.00 175.55 174.22 2k3a s THR 89 N -3.48 4.50 -0.35 -0.71 2.01 -1.19 -4.20 115.64 112.22 2k3a s THR 89 Ca 0.61 -1.53 -0.09 0.00 0.31 0.00 0.00 61.69 60.99 2k3a s THR 89 Cb -0.11 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.58 2k3a s THR 89 CO 0.50 -0.68 0.15 -0.69 -0.69 0.00 0.00 174.62 173.21 2k3a s VAL 90 N 1.45 4.21 0.06 3.82 1.01 -1.26 -0.03 120.40 129.67 2k3a s VAL 90 Ca 0.04 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.17 2k3a s VAL 90 Cb -0.26 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 2k3a s VAL 90 CO 0.02 -0.14 -0.12 0.20 0.00 0.00 0.00 175.10 175.05 2k3a s ASN 91 N 1.50 1.43 0.00 3.32 0.01 -0.45 -4.91 114.94 115.84 2k3a s ASN 91 Ca 0.01 -0.57 0.00 0.00 -0.71 0.00 0.00 52.86 51.59 2k3a s ASN 91 Cb -0.19 -0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.44 2k3a s ASN 91 CO 0.05 -0.10 0.70 0.59 -1.51 0.00 0.00 177.10 176.83 2k3a n ASN 92 N 1.43 0.18 -4.64 -1.22 4.13 -1.26 -2.29 115.26 111.59 2k3a n ASN 92 Ca -0.21 -1.58 -0.43 0.00 1.68 0.00 0.00 54.58 54.04 2k3a n ASN 92 Cb 0.54 -0.09 -0.02 0.00 -1.54 0.00 0.00 39.78 38.67 2k3a n ASN 92 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2k3a s SER 93 N -0.99 6.68 -0.50 6.41 0.15 -1.26 -4.84 113.70 119.36 2k3a s SER 93 Ca 0.00 1.53 -0.27 0.00 0.70 0.00 0.00 55.95 57.90 2k3a s SER 93 Cb 0.00 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 2k3a s SER 93 CO 0.00 -1.02 1.79 -2.16 1.20 0.00 0.00 173.24 173.06 2k3a s PRO 94 N 4.08 2.96 -0.03 5.44 0.04 -1.26 -4.84 135.00 141.39 2k3a s PRO 94 Ca 0.61 0.91 0.03 0.00 0.04 0.00 0.00 61.00 62.58 2k3a s PRO 94 Cb -0.21 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.04 2k3a s PRO 94 CO 0.22 -2.33 -0.11 -2.00 0.04 0.00 0.00 177.00 172.83 2k3a s GLU 95 N 6.37 1.09 -0.04 4.56 2.12 -1.26 -4.90 118.70 126.64 2k3a s GLU 95 Ca 0.71 -0.37 -0.30 0.00 0.36 0.00 0.00 54.97 55.37 2k3a s GLU 95 Cb -0.16 -1.00 -0.06 0.00 0.26 0.00 0.00 34.13 33.17 2k3a s GLU 95 CO 0.26 0.16 1.64 0.00 -0.54 0.00 0.00 175.26 176.77 2k3a s ALA 96 N 0.09 3.62 0.00 6.30 0.00 -1.26 -2.79 121.76 127.72 2k3a s ALA 96 Ca -0.02 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2k3a s ALA 96 Cb -0.08 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.31 2k3a s ALA 96 CO 0.01 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 174.84 2k3a n GLY 97 N 4.08 1.25 3.61 0.00 0.00 -0.55 -5.01 105.19 108.56 2k3a n GLY 97 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 3.74 -0.19 1.61 1.04 -1.12 -4.79 113.70 111.99 2k3a s SER 98 Ca 0.00 -1.37 -0.02 0.00 0.48 0.00 0.00 55.95 55.03 2k3a s SER 98 Cb 0.00 -0.36 -0.01 0.00 0.10 0.00 0.00 66.02 65.75 2k3a s SER 98 CO 0.00 -0.47 -0.08 -0.63 0.98 0.00 0.00 173.24 173.04 2k3a s ILE 99 N -2.77 3.17 -0.09 -1.02 1.09 -1.06 -0.94 121.20 119.58 2k3a s ILE 99 Ca 0.35 -0.58 -0.16 0.00 -1.10 0.00 0.00 60.65 59.16 2k3a s ILE 99 Cb 0.10 -2.40 -0.05 0.00 -1.06 0.00 0.00 42.46 39.05 2k3a s ILE 99 CO 0.18 0.47 0.40 -1.48 -0.10 0.00 0.00 174.94 174.40 2k3a s LEU 100 N 1.11 4.33 -0.39 2.97 2.34 -1.07 -0.47 118.68 127.50 2k3a s LEU 100 Ca 0.01 0.76 -0.18 0.00 0.06 0.00 0.00 54.13 54.78 2k3a s LEU 100 Cb -0.15 -2.55 0.01 0.00 -0.56 0.00 0.00 46.19 42.94 2k3a s LEU 100 CO -0.02 0.14 0.52 -1.58 -1.06 0.00 0.00 176.35 174.35 2k3a s GLN 101 N 0.02 3.37 0.08 1.48 0.74 -0.24 -3.17 119.66 121.95 2k3a s GLN 101 Ca 0.22 -0.41 0.23 0.00 0.05 0.00 0.00 55.36 55.45 2k3a s GLN 101 Cb -0.15 -3.89 -0.04 0.00 1.10 0.00 0.00 33.01 30.03 2k3a s GLN 101 CO 0.09 -0.80 0.93 0.43 -0.55 0.00 0.00 175.29 175.39 2k3a n SER 102 N 5.82 0.57 -1.40 6.67 7.64 0.96 -3.53 113.62 130.35 2k3a n SER 102 Ca -0.05 0.01 -0.08 0.00 1.01 0.00 0.00 58.87 59.76 2k3a n SER 102 Cb 0.48 0.92 -0.03 0.00 -1.01 0.00 0.00 64.21 64.57 2k3a n SER 102 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k3a n THR 103 N -2.25 -0.05 -2.15 0.44 -2.24 -1.12 -4.67 114.28 102.23 2k3a n THR 103 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 2k3a n THR 103 Cb 0.50 -0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 67.91 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 -1.76 2.62 0.00 6.98 0.00 -1.26 -4.40 121.76 123.94 2k3a s ALA 104 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2k3a s ALA 104 Cb 0.00 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 18.98 2k3a s ALA 104 CO 0.00 -3.15 0.00 0.41 0.00 0.00 0.00 175.76 173.02 2k3a n GLY 105 N 5.45 -2.34 5.30 0.00 0.00 -1.26 -3.80 105.19 108.53 2k3a n GLY 105 Ca 0.18 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.14 0.25 0.18 -0.02 0.00 -1.26 -1.17 105.19 103.30 2k3a n GLY 106 Ca 0.00 0.53 0.03 0.00 0.00 0.00 0.00 46.02 46.58 2k3a n GLY 106 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2k3a h TYR 107 N 0.00 0.00 0.00 1.61 -1.99 -1.91 -3.45 116.97 111.23 2k3a h TYR 107 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2k3a h TYR 107 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2k3a h TYR 107 CO 0.00 0.40 0.00 0.41 -0.00 0.00 0.00 178.16 178.97 2k3a n GLY 108 N -0.17 0.51 2.99 3.88 0.00 -0.32 -0.61 105.19 111.48 2k3a n GLY 108 Ca -0.01 -2.02 -0.15 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.35 0.52 -0.04 1.61 2.46 -1.25 -4.56 115.29 112.69 2k3a s HIS 109 Ca 0.00 -0.20 -0.10 0.00 0.47 0.00 0.00 55.06 55.23 2k3a s HIS 109 Cb 0.00 -0.33 0.02 0.00 -0.13 0.00 0.00 32.58 32.14 2k3a s HIS 109 CO 0.00 -0.03 0.23 0.14 -2.47 0.00 0.00 174.74 172.61 2k3a s VAL 110 N -0.47 0.04 0.10 0.89 -7.23 -1.26 -0.03 120.40 112.44 2k3a s VAL 110 Ca -0.01 -0.37 -0.05 0.00 -1.81 0.00 0.00 61.98 59.73 2k3a s VAL 110 Cb -0.04 -0.45 -0.02 0.00 0.56 0.00 0.00 36.38 36.42 2k3a s VAL 110 CO -0.00 -0.20 0.12 0.00 -0.31 0.00 0.00 175.10 174.70 2k3a s ALA 111 N -0.80 0.21 -0.22 1.32 0.00 -1.19 -4.72 121.76 116.36 2k3a s ALA 111 Ca -0.09 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 50.73 2k3a s ALA 111 Cb -0.05 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 2k3a s ALA 111 CO 0.02 -0.49 0.44 -0.47 0.00 0.00 0.00 175.76 175.27 2k3a s TYR 112 N -3.93 3.35 -0.48 0.00 5.04 -1.22 -2.60 117.35 117.51 2k3a s TYR 112 Ca 0.11 0.64 -0.28 0.00 -2.44 0.00 0.00 57.07 55.10 2k3a s TYR 112 Cb 0.06 -2.60 -0.01 0.00 0.35 0.00 0.00 41.96 39.77 2k3a s TYR 112 CO -0.07 -0.09 1.65 0.08 -1.34 0.00 0.00 175.55 175.77 2k3a s VAL 113 N 1.61 3.60 0.01 3.14 1.01 -0.11 -0.93 120.40 128.72 2k3a s VAL 113 Ca 0.20 0.53 -0.25 0.00 0.00 0.00 0.00 61.98 62.47 2k3a s VAL 113 Cb -0.15 -4.03 -0.18 0.00 0.00 0.00 0.00 36.38 32.02 2k3a s VAL 113 CO 0.09 -0.80 1.34 -0.33 0.00 0.00 0.00 175.10 175.40 2k3a h GLU 114 N 12.57 -0.14 -2.96 2.72 4.39 -0.81 -1.47 114.58 128.87 2k3a h GLU 114 Ca -0.29 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.45 2k3a h GLU 114 Cb 1.14 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.72 2k3a h GLU 114 CO 1.13 0.20 0.23 1.21 -1.16 0.00 0.00 179.01 180.62 2k3a s ASN 115 N -5.38 -0.43 -0.01 1.42 2.47 -0.80 -4.59 114.94 107.62 2k3a s ASN 115 Ca -0.15 -0.25 0.05 0.00 0.42 0.00 0.00 52.86 52.93 2k3a s ASN 115 Cb 0.03 0.64 -0.01 0.00 -1.45 0.00 0.00 41.25 40.46 2k3a s ASN 115 CO 0.63 -1.11 -0.15 -0.69 -3.72 0.00 0.00 177.10 172.05 2k3a s VAL 116 N -3.79 1.21 0.21 -5.21 1.01 -1.26 0.01 120.40 112.58 2k3a s VAL 116 Ca 0.05 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 2k3a s VAL 116 Cb -0.03 -1.01 -0.07 0.00 0.00 0.00 0.00 36.38 35.26 2k3a s VAL 116 CO -0.05 0.32 0.59 0.20 0.00 0.00 0.00 175.10 176.16 2k3a s ASN 117 N -0.42 6.74 0.63 3.32 0.01 0.30 -4.98 114.94 120.54 2k3a s ASN 117 Ca 0.06 1.06 0.40 0.00 -0.71 0.00 0.00 52.86 53.67 2k3a s ASN 117 Cb -0.06 -2.28 2.11 0.00 0.41 0.00 0.00 41.25 41.42 2k3a s ASN 117 CO -0.00 -0.03 2.27 -1.28 -1.51 0.00 0.00 177.10 176.54 2k3a h SER 118 N 2.90 0.00 0.93 -1.22 0.87 -2.01 0.60 113.55 115.61 2k3a h SER 118 Ca -0.48 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.05 2k3a h SER 118 Cb 1.18 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2k3a h SER 118 CO 0.67 0.01 -0.15 0.44 -0.53 0.00 0.00 176.83 177.27 2k3a h ASP 119 N 0.00 0.00 0.00 6.23 3.32 -2.04 -3.46 116.42 120.46 2k3a h ASP 119 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k3a h ASP 119 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2k3a h ASP 119 CO 0.00 0.15 0.00 0.61 -1.72 0.00 0.00 179.24 178.28 2k3a n GLY 120 N 0.08 2.11 3.70 2.75 0.00 0.20 -4.86 105.19 109.16 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 -1.96 6.57 -0.23 1.61 0.01 -1.25 -4.43 113.70 114.03 2k3a s SER 121 Ca 0.00 2.55 -0.09 0.00 1.31 0.00 0.00 55.95 59.73 2k3a s SER 121 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2k3a s SER 121 CO 0.00 -0.89 0.11 -0.69 0.41 0.00 0.00 173.24 172.18 2k3a s VAL 122 N 2.30 4.85 -0.37 3.43 1.01 -0.87 -0.54 120.40 130.21 2k3a s VAL 122 Ca 0.74 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 62.53 2k3a s VAL 122 Cb -0.42 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2k3a s VAL 122 CO 0.32 0.37 0.54 -1.61 0.00 0.00 0.00 175.10 174.73 2k3a s GLU 123 N 1.09 3.54 0.34 2.72 2.02 0.10 -0.52 118.70 127.99 2k3a s GLU 123 Ca 0.05 -0.20 0.10 0.00 0.02 0.00 0.00 54.97 54.94 2k3a s GLU 123 Cb -0.14 -3.84 -0.06 0.00 0.10 0.00 0.00 34.13 30.19 2k3a s GLU 123 CO 0.04 -0.72 -0.07 0.14 0.02 0.00 0.00 175.26 174.67 2k3a s VAL 124 N 2.48 2.39 -0.02 2.63 -7.23 0.09 -0.10 120.40 120.64 2k3a s VAL 124 Ca 0.20 -2.15 0.06 0.00 -1.81 0.00 0.00 61.98 58.28 2k3a s VAL 124 Cb -0.15 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 2k3a s VAL 124 CO 0.14 -0.22 -0.20 -0.94 -0.31 0.00 0.00 175.10 173.57 2k3a s SER 125 N -3.63 3.54 0.06 4.85 1.04 -0.11 -0.29 113.70 119.16 2k3a s SER 125 Ca 0.33 -0.35 -0.00 0.00 0.48 0.00 0.00 55.95 56.41 2k3a s SER 125 Cb 0.01 -0.58 -0.04 0.00 0.10 0.00 0.00 66.02 65.51 2k3a s SER 125 CO 0.17 0.32 -0.04 -1.61 0.98 0.00 0.00 173.24 173.06 2k3a s GLU 126 N -0.76 0.65 0.11 4.02 2.02 0.60 -3.37 118.70 121.99 2k3a s GLU 126 Ca 0.11 -1.20 -0.27 0.00 0.02 0.00 0.00 54.97 53.63 2k3a s GLU 126 Cb -0.10 0.07 -0.06 0.00 0.10 0.00 0.00 34.13 34.13 2k3a s GLU 126 CO 0.00 -0.07 0.85 1.41 0.02 0.00 0.00 175.26 177.47 2k3a s MET 127 N -3.67 4.62 0.12 1.61 -2.45 -1.26 0.68 119.30 118.95 2k3a s MET 127 Ca 0.06 1.26 -0.13 0.00 -1.25 0.00 0.00 55.69 55.63 2k3a s MET 127 Cb 0.06 -3.34 -0.04 0.00 1.25 0.00 0.00 34.83 32.76 2k3a s MET 127 CO -0.08 0.35 1.50 -2.95 1.05 0.00 0.00 175.02 174.89 2k3a h ASN 128 N 5.19 0.81 -5.08 1.11 -1.07 -1.95 -3.47 115.58 111.12 2k3a h ASN 128 Ca -0.44 -0.40 -0.02 0.00 0.07 0.00 0.00 56.30 55.51 2k3a h ASN 128 Cb 1.21 -0.22 -0.10 0.00 -2.07 0.00 0.00 38.32 37.13 2k3a h ASN 128 CO 0.70 1.03 0.04 -0.72 0.07 0.00 0.00 177.43 178.55 2k3a s TYR 129 N -4.64 -0.12 -0.09 4.14 1.13 -1.26 -5.08 117.35 111.43 2k3a s TYR 129 Ca -0.12 -0.22 -0.29 0.00 -1.41 0.00 0.00 57.07 55.02 2k3a s TYR 129 Cb 0.10 0.41 -0.06 0.00 -1.10 0.00 0.00 41.96 41.31 2k3a s TYR 129 CO 0.83 -0.93 1.98 0.54 -2.51 0.00 0.00 175.55 175.45 2k3a s ASN 130 N -2.88 6.13 0.00 -0.18 2.20 -1.26 -1.69 114.94 117.26 2k3a s ASN 130 Ca 0.09 2.23 0.00 0.00 -0.94 0.00 0.00 52.86 54.25 2k3a s ASN 130 Cb -0.01 -2.52 0.00 0.00 -2.00 0.00 0.00 41.25 36.71 2k3a s ASN 130 CO -0.02 -1.37 0.00 0.61 -2.94 0.00 0.00 177.10 173.38 2k3a n GLY 131 N 4.93 0.76 0.24 0.45 0.00 -1.25 -4.92 105.19 105.40 2k3a n GLY 131 Ca 0.23 -0.68 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.96 -1.40 3.40 -0.02 0.00 -0.68 -5.09 105.19 100.43 2k3a n GLY 132 Ca 0.00 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.15 2k3a n GLY 132 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k3a n PRO 133 N -1.28 -0.73 0.29 1.61 -0.04 -1.26 -4.97 135.00 128.62 2k3a n PRO 133 Ca 0.01 -2.03 0.19 0.00 -0.04 0.00 0.00 63.50 61.63 2k3a n PRO 133 Cb 0.04 -0.97 0.84 0.00 -0.04 0.00 0.00 33.50 33.37 2k3a n PRO 133 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2k3a h PHE 134 N -1.27 0.00 -2.78 0.54 -5.15 -2.03 -3.42 116.94 102.83 2k3a h PHE 134 Ca -0.35 0.00 -0.55 0.00 -0.20 0.00 0.00 57.97 56.87 2k3a h PHE 134 Cb 1.05 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 37.18 2k3a h PHE 134 CO 0.00 0.00 1.19 -1.12 -2.00 0.00 0.00 178.31 176.38 2k3a s SER 135 N -5.38 5.98 -0.13 -0.68 0.01 -1.26 -4.99 113.70 107.24 2k3a s SER 135 Ca -0.01 0.77 -0.20 0.00 1.31 0.00 0.00 55.95 57.82 2k3a s SER 135 Cb 0.10 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 2k3a s SER 135 CO 0.48 -1.73 0.58 -0.69 0.41 0.00 0.00 173.24 172.28 2k3a s VAL 136 N 6.61 5.10 1.16 3.43 1.01 -1.26 -4.74 120.40 131.72 2k3a s VAL 136 Ca 0.66 1.14 -0.17 0.00 0.00 0.00 0.00 61.98 63.61 2k3a s VAL 136 Cb -0.15 -3.91 0.27 0.00 0.00 0.00 0.00 36.38 32.58 2k3a s VAL 136 CO 0.29 0.24 1.08 -0.55 0.00 0.00 0.00 175.10 176.16 2k3a s SER 137 N 0.87 1.24 0.06 3.32 0.15 0.21 -4.76 113.70 114.79 2k3a s SER 137 Ca 0.29 0.90 -0.06 0.00 0.70 0.00 0.00 55.95 57.78 2k3a s SER 137 Cb -0.16 -1.34 -0.01 0.00 -1.71 0.00 0.00 66.02 62.80 2k3a s SER 137 CO 0.12 -3.96 0.12 -1.61 1.20 0.00 0.00 173.24 169.11 2k3a s GLU 138 N -5.15 0.71 0.31 5.44 2.02 -1.26 -0.29 118.70 120.48 2k3a s GLU 138 Ca 0.69 -0.92 -0.17 0.00 0.02 0.00 0.00 54.97 54.59 2k3a s GLU 138 Cb -0.14 0.28 0.02 0.00 0.10 0.00 0.00 34.13 34.39 2k3a s GLU 138 CO 0.58 -0.19 0.68 -0.98 0.02 0.00 0.00 175.26 175.36 2k3a s ARG 139 N -3.40 1.89 -0.11 1.61 1.70 0.60 -4.90 118.95 116.34 2k3a s ARG 139 Ca 0.02 -1.22 0.01 0.00 -0.47 0.00 0.00 55.73 54.06 2k3a s ARG 139 Cb 0.03 0.58 0.02 0.00 -0.57 0.00 0.00 34.95 35.01 2k3a s ARG 139 CO -0.08 -0.85 -0.11 0.99 -1.08 0.00 0.00 175.30 174.16 2k3a s THR 140 N -3.41 1.23 -0.06 4.99 2.01 -1.26 -0.73 115.64 118.41 2k3a s THR 140 Ca 0.16 -0.46 -0.14 0.00 0.31 0.00 0.00 61.69 61.56 2k3a s THR 140 Cb -0.04 -1.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 2k3a s THR 140 CO 0.10 0.39 0.35 -0.63 -0.69 0.00 0.00 174.62 174.14 2k3a s ILE 141 N 1.28 5.17 0.34 1.82 1.01 0.32 -4.94 121.20 126.19 2k3a s ILE 141 Ca -0.02 0.70 -0.29 0.00 0.00 0.00 0.00 60.65 61.04 2k3a s ILE 141 Cb -0.14 -3.66 -0.11 0.00 0.01 0.00 0.00 42.46 38.56 2k3a s ILE 141 CO -0.04 0.53 1.54 -1.20 0.00 0.00 0.00 174.94 175.77 2k3a n SER 142 N 2.31 3.86 -0.30 3.58 7.64 -1.26 -2.05 113.62 127.39 2k3a n SER 142 Ca -0.14 1.19 0.09 0.00 1.01 0.00 0.00 58.87 61.02 2k3a n SER 142 Cb 0.53 -1.61 0.25 0.00 -1.01 0.00 0.00 64.21 62.36 2k3a n SER 142 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3a h ALA 143 N 3.75 1.32 -0.14 -0.43 0.00 -1.89 -0.24 119.26 121.63 2k3a h ALA 143 Ca -0.49 0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.56 2k3a h ALA 143 Cb 1.23 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2k3a h ALA 143 CO 0.71 -0.16 0.12 0.78 0.00 0.00 0.00 179.25 180.69 2k3a h GLY 144 N 0.56 0.00 0.32 0.00 0.00 -1.91 -2.33 103.07 99.71 2k3a h GLY 144 Ca 0.49 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.55 2k3a h GLY 144 CO -0.41 0.00 -2.06 -2.21 0.00 0.00 0.00 176.54 171.86 2k3a n GLU 145 N -4.19 0.66 0.12 4.80 4.07 -0.25 -4.43 120.64 121.42 2k3a n GLU 145 Ca 0.00 0.05 0.16 0.00 -0.06 0.00 0.00 57.16 57.31 2k3a n GLU 145 Cb 0.24 -1.61 0.71 0.00 -0.06 0.00 0.00 31.44 30.71 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 1.22 2.21 0.00 4.31 0.00 -0.58 -0.71 119.26 125.71 2k3a h ALA 146 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2k3a h ALA 146 Cb 1.91 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2k3a h ALA 146 CO 0.04 -0.39 0.00 0.45 0.00 0.00 0.00 179.25 179.35 2k3a n SER 147 N -4.29 0.00 0.08 0.00 2.88 -1.23 -3.09 113.62 107.97 2k3a n SER 147 Ca 0.04 -0.03 0.12 0.00 -1.33 0.00 0.00 58.87 57.68 2k3a n SER 147 Cb 0.40 -0.31 0.24 0.00 -0.75 0.00 0.00 64.21 63.78 2k3a n SER 147 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2k3a h SER 148 N 0.00 0.00 -3.13 -3.46 0.02 -1.40 -3.47 113.55 102.11 2k3a h SER 148 Ca 0.00 -0.15 -0.59 0.00 -0.84 0.00 0.00 61.79 60.22 2k3a h SER 148 Cb 0.28 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 2k3a h SER 148 CO 0.00 0.07 -0.23 -0.31 -1.14 0.00 0.00 176.83 175.23 2k3a s TYR 149 N -3.15 3.59 -0.32 3.45 2.02 -1.18 -5.02 117.35 116.74 2k3a s TYR 149 Ca 0.07 0.83 -0.18 0.00 -0.37 0.00 0.00 57.07 57.43 2k3a s TYR 149 Cb 0.13 -2.19 -0.01 0.00 -0.40 0.00 0.00 41.96 39.49 2k3a s TYR 149 CO 0.69 0.51 0.49 -0.80 -1.57 0.00 0.00 175.55 174.87 2k3a s ASN 150 N -1.73 6.32 -0.24 2.29 0.01 -1.23 -4.57 114.94 115.80 2k3a s ASN 150 Ca 0.33 0.09 -0.15 0.00 -0.71 0.00 0.00 52.86 52.43 2k3a s ASN 150 Cb -0.14 -2.26 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 2k3a s ASN 150 CO 0.18 -0.40 0.36 -0.31 -1.51 0.00 0.00 177.10 175.42 2k3a s TYR 151 N 2.32 3.31 -0.17 2.20 1.51 -0.97 -1.08 117.35 124.47 2k3a s TYR 151 Ca 0.18 0.49 -0.26 0.00 -1.01 0.00 0.00 57.07 56.47 2k3a s TYR 151 Cb -0.16 -2.52 -0.01 0.00 -0.11 0.00 0.00 41.96 39.16 2k3a s TYR 151 CO 0.12 -0.10 0.87 0.42 -1.11 0.00 0.00 175.55 175.75 2k3a s ILE 152 N 1.62 4.85 -0.07 2.71 1.09 0.38 -1.34 121.20 130.44 2k3a s ILE 152 Ca 0.16 1.70 0.03 0.00 -1.10 0.00 0.00 60.65 61.44 2k3a s ILE 152 Cb -0.15 -4.17 -0.02 0.00 -1.06 0.00 0.00 42.46 37.06 2k3a s ILE 152 CO 0.08 0.00 -0.14 -1.00 -0.10 0.00 0.00 174.94 173.78 2k3a s HIS 153 N 2.25 2.72 -0.52 3.97 3.76 0.96 -2.56 115.29 125.87 2k3a s HIS 153 Ca 0.40 -0.32 -0.17 0.00 -0.15 0.00 0.00 55.06 54.82 2k3a s HIS 153 Cb -0.17 -1.69 0.09 0.00 1.11 0.00 0.00 32.58 31.93 2k3a s HIS 153 CO 0.12 0.06 0.52 -0.51 -0.85 0.00 0.00 174.74 174.08 2k3a s LEU 154 N -0.40 5.60 0.00 0.89 1.43 -1.26 -3.18 118.68 121.76 2k3a s LEU 154 Ca 0.04 -1.39 0.28 0.00 -1.03 0.00 0.00 54.13 52.04 2k3a s LEU 154 Cb -0.12 -2.26 1.68 0.00 0.03 0.00 0.00 46.19 45.51 2k3a s LEU 154 CO 0.02 -0.84 2.02 0.59 0.23 0.00 0.00 176.35 178.37