#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 4.16 -0.15 0.03 2.47 -1.26 -5.03 119.74 119.96 2k3a s LYS 2 Ca 0.00 1.06 0.02 0.00 -1.56 0.00 0.00 55.97 55.48 2k3a s LYS 2 Cb 0.00 -3.67 0.01 0.00 -1.46 0.00 0.00 37.83 32.71 2k3a s LYS 2 CO 0.00 -0.63 -0.21 0.15 0.16 0.00 0.00 175.35 174.82 2k3a s LYS 3 N 3.10 3.03 0.15 4.03 1.02 -1.26 -5.12 119.74 124.70 2k3a s LYS 3 Ca 0.39 -0.84 -0.21 0.00 0.02 0.00 0.00 55.97 55.33 2k3a s LYS 3 Cb -0.15 -2.49 0.06 0.00 -0.52 0.00 0.00 37.83 34.74 2k3a s LYS 3 CO 0.09 -0.06 0.54 -0.48 -0.92 0.00 0.00 175.35 174.52 2k3a s LEU 4 N 0.93 -0.27 0.03 3.17 0.05 -1.26 -5.18 118.68 116.15 2k3a s LEU 4 Ca -0.04 -0.10 0.03 0.00 0.05 0.00 0.00 54.13 54.07 2k3a s LEU 4 Cb -0.15 2.37 -0.02 0.00 -2.05 0.00 0.00 46.19 46.34 2k3a s LEU 4 CO -0.04 -0.94 -0.10 0.68 -0.55 0.00 0.00 176.35 175.40 2k3a s VAL 5 N -3.77 0.74 -0.81 1.48 -7.23 -1.26 -5.11 120.40 104.45 2k3a s VAL 5 Ca 0.02 -0.79 -0.06 0.00 -1.81 0.00 0.00 61.98 59.33 2k3a s VAL 5 Cb -0.00 -0.70 0.21 0.00 0.56 0.00 0.00 36.38 36.44 2k3a s VAL 5 CO -0.13 -0.07 0.70 0.42 -0.31 0.00 0.00 175.10 175.71 2k3a s THR 6 N -0.79 4.67 -0.26 5.32 -4.23 -1.26 -4.88 115.64 114.21 2k3a s THR 6 Ca -0.02 -3.11 0.12 0.00 -1.18 0.00 0.00 61.69 57.50 2k3a s THR 6 Cb -0.07 -3.92 0.58 0.00 1.34 0.00 0.00 72.50 70.43 2k3a s THR 6 CO 0.01 -1.01 1.56 0.00 -0.54 0.00 0.00 174.62 174.63 2k3a n ALA 7 N 3.23 3.94 -2.56 3.99 0.00 -1.26 -4.98 120.51 122.88 2k3a n ALA 7 Ca 0.15 -2.62 -0.43 0.00 0.00 0.00 0.00 53.44 50.54 2k3a n ALA 7 Cb 0.40 -0.89 -0.05 0.00 0.00 0.00 0.00 19.45 18.92 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 -3.03 4.60 -0.28 0.00 2.01 -1.26 -4.99 115.64 112.68 2k3a s THR 8 Ca 0.47 0.60 -0.19 0.00 0.31 0.00 0.00 61.69 62.88 2k3a s THR 8 Cb 0.39 -4.35 0.12 0.00 0.01 0.00 0.00 72.50 68.68 2k3a s THR 8 CO 0.07 -0.72 0.90 0.28 -0.69 0.00 0.00 174.62 174.46 2k3a s THR 9 N 3.43 0.00 0.04 -0.82 -1.32 -1.26 -5.19 115.64 110.52 2k3a s THR 9 Ca 0.33 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.83 2k3a s THR 9 Cb -0.12 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.85 2k3a s THR 9 CO 0.23 0.00 -0.08 -0.76 -2.21 0.00 0.00 174.62 171.81 2k3a s LEU 10 N 1.04 2.24 -0.00 9.08 1.43 -1.26 -5.16 118.68 126.04 2k3a s LEU 10 Ca -0.05 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 2k3a s LEU 10 Cb -0.04 -0.17 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 2k3a s LEU 10 CO -0.12 -0.18 0.18 -0.89 0.23 0.00 0.00 176.35 175.56 2k3a s THR 11 N -1.28 5.38 0.29 5.49 2.01 -1.26 -5.12 115.64 121.15 2k3a s THR 11 Ca -0.09 -0.19 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 2k3a s THR 11 Cb -0.09 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 2k3a s THR 11 CO 0.00 0.32 0.34 0.00 -0.69 0.00 0.00 174.62 174.59 2k3a s ALA 12 N -1.33 1.06 0.00 7.40 0.00 -1.26 -5.06 121.76 122.57 2k3a s ALA 12 Ca 0.27 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.59 2k3a s ALA 12 Cb -0.13 1.29 0.00 0.00 0.00 0.00 0.00 23.12 24.29 2k3a s ALA 12 CO 0.19 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.64 2k3a n GLY 13 N -0.49 0.08 2.71 0.00 0.00 -1.26 -5.14 105.19 101.09 2k3a n GLY 13 Ca 0.03 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 2k3a n GLY 13 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k3a n ILE 14 N -0.52 0.00 0.00 -0.61 -5.35 -1.26 -5.15 119.36 106.47 2k3a n ILE 14 Ca 0.00 -2.01 0.00 0.00 -0.27 0.00 0.00 62.75 60.47 2k3a n ILE 14 Cb 0.22 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 2k3a n ILE 14 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k3a n GLY 15 N -0.45 0.23 3.56 3.28 0.00 -1.26 -5.12 105.19 105.43 2k3a n GLY 15 Ca 0.03 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.82 -1.93 0.04 4.61 0.00 -1.26 -5.19 121.76 115.21 2k3a s ALA 16 Ca 0.00 1.44 -0.26 0.00 0.00 0.00 0.00 51.96 53.14 2k3a s ALA 16 Cb 0.00 -0.36 0.07 0.00 0.00 0.00 0.00 23.12 22.83 2k3a s ALA 16 CO 0.00 -0.45 0.62 0.00 0.00 0.00 0.00 175.76 175.93 2k3a s ALA 17 N -1.82 -1.62 -0.08 0.00 0.00 -1.26 -5.07 121.76 111.92 2k3a s ALA 17 Ca 0.02 0.88 0.12 0.00 0.00 0.00 0.00 51.96 52.98 2k3a s ALA 17 Cb -0.01 0.39 0.23 0.00 0.00 0.00 0.00 23.12 23.74 2k3a s ALA 17 CO -0.03 -0.54 1.11 0.44 0.00 0.00 0.00 175.76 176.75 2k3a n ILE 18 N 0.35 1.01 -1.65 0.00 -5.35 -1.26 -5.04 119.36 107.43 2k3a n ILE 18 Ca -0.18 -1.45 -0.26 0.00 -0.27 0.00 0.00 62.75 60.59 2k3a n ILE 18 Cb 0.60 0.20 -0.05 0.00 -1.74 0.00 0.00 39.64 38.65 2k3a n ILE 18 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2k3a s VAL 19 N -1.52 3.08 -0.30 7.28 1.01 -1.26 -4.73 120.40 123.95 2k3a s VAL 19 Ca 0.22 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 2k3a s VAL 19 Cb 0.21 -3.18 0.19 0.00 0.00 0.00 0.00 36.38 33.59 2k3a s VAL 19 CO -0.02 -0.18 1.15 -0.83 0.00 0.00 0.00 175.10 175.21 2k3a s GLY 20 N 10.94 -1.30 0.05 4.51 0.00 -1.26 -5.19 107.32 115.08 2k3a s GLY 20 Ca 0.90 1.85 0.00 0.00 0.00 0.00 0.00 44.72 47.47 2k3a s GLY 20 CO 0.16 4.35 -0.04 0.48 0.00 0.00 0.00 173.10 178.05 2k3a s LEU 21 N 2.38 2.43 -0.37 0.66 0.05 -1.26 -5.10 118.68 117.47 2k3a s LEU 21 Ca 0.21 -0.88 -0.28 0.00 0.05 0.00 0.00 54.13 53.24 2k3a s LEU 21 Cb 0.03 0.10 -0.03 0.00 -2.05 0.00 0.00 46.19 44.23 2k3a s LEU 21 CO -0.19 -0.49 2.01 -0.62 -0.55 0.00 0.00 176.35 176.51 2k3a s ASP 22 N -2.59 5.45 0.00 1.48 2.15 -1.26 -4.69 116.67 117.21 2k3a s ASP 22 Ca 0.03 1.25 0.00 0.00 0.43 0.00 0.00 52.55 54.26 2k3a s ASP 22 Cb 0.03 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2k3a s ASP 22 CO -0.06 -2.07 0.43 1.57 -0.17 0.00 0.00 175.17 174.87 2k3a n HIS 23 N 11.93 0.00 -3.12 -5.34 -0.00 -1.26 -5.00 115.22 112.43 2k3a n HIS 23 Ca 0.26 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.23 2k3a n HIS 23 Cb 0.48 0.09 -0.05 0.00 -0.12 0.00 0.00 29.99 30.40 2k3a n HIS 23 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2k3a n GLY 24 N 0.00 2.42 3.09 1.57 0.00 -1.26 -5.05 105.19 105.96 2k3a n GLY 24 Ca 0.00 -1.29 -0.36 0.00 0.00 0.00 0.00 46.02 44.37 2k3a n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3a s ASN 25 N -1.31 5.19 0.10 1.61 4.22 -1.26 -5.08 114.94 118.41 2k3a s ASN 25 Ca 0.35 -2.74 0.07 0.00 -2.14 0.00 0.00 52.86 48.40 2k3a s ASN 25 Cb 0.19 -1.84 -0.04 0.00 1.28 0.00 0.00 41.25 40.84 2k3a s ASN 25 CO -0.13 -0.39 -0.11 -1.61 -2.04 0.00 0.00 177.10 172.83 2k3a s GLU 26 N 0.11 2.11 -0.13 3.55 2.02 -1.26 -5.13 118.70 119.96 2k3a s GLU 26 Ca 0.16 -1.03 -0.31 0.00 0.02 0.00 0.00 54.97 53.81 2k3a s GLU 26 Cb -0.21 -2.29 0.13 0.00 0.10 0.00 0.00 34.13 31.85 2k3a s GLU 26 CO -0.03 0.51 1.04 0.00 0.02 0.00 0.00 175.26 176.79 2k3a s ALA 27 N -1.21 -1.94 -0.01 5.21 0.00 -1.26 -5.17 121.76 117.38 2k3a s ALA 27 Ca 0.21 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.63 2k3a s ALA 27 Cb -0.11 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.68 2k3a s ALA 27 CO 0.13 -0.47 -0.03 0.16 0.00 0.00 0.00 175.76 175.55 2k3a s ASP 28 N -1.71 0.51 -0.10 0.00 -4.77 -1.26 -5.05 116.67 104.29 2k3a s ASP 28 Ca 0.03 -0.07 0.14 0.00 -3.30 0.00 0.00 52.55 49.35 2k3a s ASP 28 Cb -0.01 -0.13 0.30 0.00 -1.09 0.00 0.00 42.92 41.99 2k3a s ASP 28 CO -0.03 0.01 1.20 0.00 0.70 0.00 0.00 175.17 177.05 2k3a n ALA 29 N 3.33 2.39 -2.20 2.11 0.00 -1.26 -5.02 120.51 119.87 2k3a n ALA 29 Ca -0.17 -2.03 -0.42 0.00 0.00 0.00 0.00 53.44 50.82 2k3a n ALA 29 Cb 0.56 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 2k3a n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3a s ALA 30 N -2.25 3.45 0.05 0.00 0.00 -1.26 -5.00 121.76 116.75 2k3a s ALA 30 Ca 0.27 0.95 -0.31 0.00 0.00 0.00 0.00 51.96 52.88 2k3a s ALA 30 Cb 0.22 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.83 2k3a s ALA 30 CO 0.06 -0.44 1.36 -2.00 0.00 0.00 0.00 175.76 174.73 2k3a s GLU 31 N 0.43 4.32 -0.12 0.00 2.56 -1.26 -5.02 118.70 119.61 2k3a s GLU 31 Ca 0.57 1.96 -0.02 0.00 0.00 0.00 0.00 54.97 57.48 2k3a s GLU 31 Cb -0.32 -3.42 0.04 0.00 2.00 0.00 0.00 34.13 32.43 2k3a s GLU 31 CO 0.33 -0.47 0.01 -0.65 -0.56 0.00 0.00 175.26 173.93 2k3a s GLN 32 N 1.69 0.65 0.07 4.30 -0.21 -1.26 -5.13 119.66 119.77 2k3a s GLN 32 Ca 0.63 -0.13 0.06 0.00 0.02 0.00 0.00 55.36 55.95 2k3a s GLN 32 Cb -0.33 -1.48 -0.03 0.00 1.00 0.00 0.00 33.01 32.17 2k3a s GLN 32 CO 0.28 -0.45 -0.16 -0.08 -2.12 0.00 0.00 175.29 172.76 2k3a s THR 33 N 1.92 1.31 0.03 -0.19 -1.32 -1.26 -5.16 115.64 110.97 2k3a s THR 33 Ca 0.03 -1.27 0.09 0.00 -1.21 0.00 0.00 61.69 59.32 2k3a s THR 33 Cb -0.14 -1.21 -0.03 0.00 -1.51 0.00 0.00 72.50 69.61 2k3a s THR 33 CO -0.07 -0.08 -0.25 -1.10 -2.21 0.00 0.00 174.62 170.91 2k3a s GLN 34 N -1.56 1.80 -0.03 7.08 -0.21 -1.26 -5.09 119.66 120.38 2k3a s GLN 34 Ca 0.02 -1.03 -0.37 0.00 0.02 0.00 0.00 55.36 54.01 2k3a s GLN 34 Cb -0.09 -1.90 -0.15 0.00 1.00 0.00 0.00 33.01 31.87 2k3a s GLN 34 CO 0.02 0.50 1.60 -2.30 -2.12 0.00 0.00 175.29 172.99 2k3a n PRO 35 N 1.98 1.53 0.00 2.91 -0.02 -1.26 -4.92 135.00 135.22 2k3a n PRO 35 Ca -0.17 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2k3a n PRO 35 Cb 0.52 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 3.75 0.00 -3.57 3.45 -2.24 -1.26 -4.86 114.28 109.55 2k3a n THR 36 Ca 0.21 1.34 -0.01 0.00 -2.27 0.00 0.00 64.05 63.32 2k3a n THR 36 Cb 0.21 -2.04 -0.06 0.00 -2.10 0.00 0.00 70.33 66.34 2k3a n THR 36 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k3a s ASN 37 N -2.60 -0.50 -0.24 3.42 2.20 -1.26 -5.17 114.94 110.80 2k3a s ASN 37 Ca 0.00 0.76 -0.11 0.00 -0.94 0.00 0.00 52.86 52.57 2k3a s ASN 37 Cb 0.00 1.33 0.09 0.00 -2.00 0.00 0.00 41.25 40.67 2k3a s ASN 37 CO 0.00 -0.12 0.56 0.00 -2.94 0.00 0.00 177.10 174.60 2k3a s GLN 38 N 1.65 0.52 -0.42 3.55 0.00 -1.26 -5.12 119.66 118.59 2k3a s GLN 38 Ca -0.07 1.14 -0.27 0.00 -0.00 0.00 0.00 55.36 56.16 2k3a s GLN 38 Cb -0.04 0.32 -0.03 0.00 0.00 0.00 0.00 33.01 33.26 2k3a s GLN 38 CO -0.15 -0.19 1.97 -1.54 0.00 0.00 0.00 175.29 175.38 2k3a s SER 39 N 2.10 5.42 -0.07 12.60 1.04 -1.26 -4.96 113.70 128.58 2k3a s SER 39 Ca -0.07 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.45 2k3a s SER 39 Cb -0.09 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.53 2k3a s SER 39 CO -0.17 -2.12 -0.05 0.42 0.98 0.00 0.00 173.24 172.31 2k3a s THR 40 N 8.55 0.66 -0.81 2.02 -4.23 -1.26 -5.09 115.64 115.48 2k3a s THR 40 Ca 0.82 -0.12 -0.26 0.00 -1.18 0.00 0.00 61.69 60.95 2k3a s THR 40 Cb -0.20 -0.71 0.02 0.00 1.34 0.00 0.00 72.50 72.95 2k3a s THR 40 CO 0.29 0.28 1.52 -0.89 -0.54 0.00 0.00 174.62 175.28 2k3a s THR 41 N 1.37 3.67 -0.18 3.99 2.01 -1.26 -4.98 115.64 120.26 2k3a s THR 41 Ca -0.03 -0.03 -0.16 0.00 0.31 0.00 0.00 61.69 61.77 2k3a s THR 41 Cb -0.13 -4.66 -0.04 0.00 0.01 0.00 0.00 72.50 67.68 2k3a s THR 41 CO -0.03 -1.59 0.42 -1.10 -0.69 0.00 0.00 174.62 171.63 2k3a s GLN 42 N 5.94 4.22 0.17 4.92 -0.21 -1.26 -5.07 119.66 128.37 2k3a s GLN 42 Ca 0.48 0.27 -0.06 0.00 0.02 0.00 0.00 55.36 56.07 2k3a s GLN 42 Cb -0.07 -3.51 -0.02 0.00 1.00 0.00 0.00 33.01 30.41 2k3a s GLN 42 CO 0.08 0.01 0.22 0.45 -2.12 0.00 0.00 175.29 173.93 2k3a s SER 43 N 0.92 0.11 -0.09 5.90 0.15 -1.26 -5.04 113.70 114.39 2k3a s SER 43 Ca 0.21 -1.04 0.10 0.00 0.70 0.00 0.00 55.95 55.92 2k3a s SER 43 Cb -0.15 0.41 0.45 0.00 -1.71 0.00 0.00 66.02 65.02 2k3a s SER 43 CO 0.08 -0.87 1.26 0.35 1.20 0.00 0.00 173.24 175.27 2k3a n THR 44 N -0.21 1.27 -1.76 6.45 -2.24 -1.26 -4.91 114.28 111.62 2k3a n THR 44 Ca -0.05 -0.74 -0.37 0.00 -2.27 0.00 0.00 64.05 60.62 2k3a n THR 44 Cb 0.63 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 2k3a n THR 44 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2k3a s SER 45 N -0.64 4.79 0.00 3.42 0.01 -1.26 -4.72 113.70 115.30 2k3a s SER 45 Ca 0.31 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.35 2k3a s SER 45 Cb 0.21 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.93 2k3a s SER 45 CO 0.13 -2.66 0.00 0.61 0.41 0.00 0.00 173.24 171.73 2k3a n GLY 46 N 5.87 3.14 3.35 3.44 0.00 -1.26 -5.11 105.19 114.63 2k3a n GLY 46 Ca 0.30 -0.19 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 6.05 -0.88 1.61 0.15 -1.26 -5.02 113.70 114.34 2k3a s SER 47 Ca 0.00 -1.46 -0.20 0.00 0.70 0.00 0.00 55.95 54.99 2k3a s SER 47 Cb 0.00 -2.15 0.11 0.00 -1.71 0.00 0.00 66.02 62.27 2k3a s SER 47 CO 0.00 -0.67 1.12 -0.44 1.20 0.00 0.00 173.24 174.45 2k3a s SER 48 N 2.70 6.53 -0.31 5.45 0.01 -1.26 -4.75 113.70 122.06 2k3a s SER 48 Ca 0.04 -1.79 -0.02 0.00 1.31 0.00 0.00 55.95 55.48 2k3a s SER 48 Cb -0.25 -2.42 0.12 0.00 0.21 0.00 0.00 66.02 63.68 2k3a s SER 48 CO 0.05 -1.17 0.16 0.00 0.41 0.00 0.00 173.24 172.69 2k3a s ALA 49 N 3.13 0.70 -0.73 1.44 0.00 -1.26 -5.07 121.76 119.97 2k3a s ALA 49 Ca 0.32 -1.36 -0.26 0.00 0.00 0.00 0.00 51.96 50.66 2k3a s ALA 49 Cb -0.07 -1.48 0.01 0.00 0.00 0.00 0.00 23.12 21.58 2k3a s ALA 49 CO -0.06 -1.82 1.56 1.21 0.00 0.00 0.00 175.76 176.64 2k3a s ASN 50 N 1.72 5.80 0.00 0.00 3.84 -1.26 -4.81 114.94 120.23 2k3a s ASN 50 Ca 0.12 -0.28 0.19 0.00 0.21 0.00 0.00 52.86 53.10 2k3a s ASN 50 Cb -0.19 -2.55 0.77 0.00 -0.55 0.00 0.00 41.25 38.73 2k3a s ASN 50 CO -0.23 -2.07 1.54 0.18 -2.79 0.00 0.00 177.10 173.74 2k3a n LEU 51 N 10.89 1.24 0.00 3.21 4.77 -1.26 -4.90 117.00 130.95 2k3a n LEU 51 Ca 0.15 -0.53 -0.25 0.00 -0.03 0.00 0.00 56.01 55.35 2k3a n LEU 51 Cb 0.50 -0.09 0.16 0.00 -2.33 0.00 0.00 43.42 41.66 2k3a n LEU 51 CO 0.70 0.27 0.69 -1.22 -1.33 0.00 0.00 177.39 176.49 2k3a n TYR 52 N 0.06 -3.60 -4.35 -1.77 4.01 -1.26 -5.10 117.16 105.15 2k3a n TYR 52 Ca 0.15 -1.28 -0.31 0.00 -0.16 0.00 0.00 57.90 56.29 2k3a n TYR 52 Cb 0.25 -0.83 -0.10 0.00 -0.31 0.00 0.00 39.34 38.35 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 -3.33 3.53 -0.67 -0.72 -1.32 -1.26 -5.04 115.64 106.84 2k3a s THR 53 Ca 0.66 -1.01 -0.26 0.00 -1.21 0.00 0.00 61.69 59.87 2k3a s THR 53 Cb -0.02 -2.59 -0.07 0.00 -1.51 0.00 0.00 72.50 68.30 2k3a s THR 53 CO 0.45 0.25 2.18 0.00 -2.21 0.00 0.00 174.62 175.30 2k3a s ALA 54 N -1.11 1.56 0.00 11.08 0.00 -1.26 -2.37 121.76 129.66 2k3a s ALA 54 Ca 0.20 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2k3a s ALA 54 Cb -0.11 -4.43 0.00 0.00 0.00 0.00 0.00 23.12 18.58 2k3a s ALA 54 CO 0.11 -4.72 0.00 0.41 0.00 0.00 0.00 175.76 171.56 2k3a n GLY 55 N 6.26 0.53 3.80 0.00 0.00 -1.26 -5.14 105.19 109.38 2k3a n GLY 55 Ca 0.35 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 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 4.41 0.30 1.61 -0.21 -1.00 -4.97 119.66 119.81 2k3a s GLN 56 Ca 0.00 1.21 0.00 0.00 0.02 0.00 0.00 55.36 56.59 2k3a s GLN 56 Cb 0.00 -2.53 0.52 0.00 1.00 0.00 0.00 33.01 31.99 2k3a s GLN 56 CO 0.00 0.15 1.92 0.00 -2.12 0.00 0.00 175.29 175.24 2k3a h THR 58 N 1.04 0.48 0.42 0.00 1.35 -1.92 -3.26 112.91 111.02 2k3a h THR 58 Ca 0.37 -0.28 -0.02 0.00 -0.55 0.00 0.00 66.41 65.94 2k3a h THR 58 Cb 0.14 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2k3a h THR 58 CO -0.13 0.06 -0.20 -0.25 -0.25 0.00 0.00 175.52 174.75 2k3a h TRP 59 N 0.00 -0.52 0.00 4.73 7.01 -1.53 -3.06 115.95 122.57 2k3a h TRP 59 Ca -0.00 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.92 2k3a h TRP 59 Cb 0.18 0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 2k3a h TRP 59 CO 0.00 -0.32 -0.32 0.10 -2.79 0.00 0.00 178.44 175.11 2k3a h TYR 60 N -0.62 0.00 -0.70 2.65 -0.00 -1.68 -2.74 116.97 113.88 2k3a h TYR 60 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.66 2k3a h TYR 60 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.13 2k3a h TYR 60 CO 0.11 0.32 0.38 0.28 -0.00 0.00 0.00 178.16 179.24 2k3a h VAL 61 N 0.00 1.21 -0.30 -0.90 2.07 -1.62 -0.61 116.25 116.10 2k3a h VAL 61 Ca -0.00 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.01 2k3a h VAL 61 Cb 0.59 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2k3a h VAL 61 CO 0.04 0.24 0.12 0.22 0.02 0.00 0.00 177.57 178.21 2k3a h TYR 62 N 0.98 0.23 -0.26 1.57 5.03 -1.38 -1.26 116.97 121.88 2k3a h TYR 62 Ca 0.25 0.01 -0.18 0.00 2.58 0.00 0.00 58.73 61.40 2k3a h TYR 62 Cb 0.03 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.25 2k3a h TYR 62 CO 0.01 0.11 -0.54 -0.44 -1.32 0.00 0.00 178.16 175.98 2k3a h ASP 63 N 0.27 0.86 -0.91 -2.11 3.32 -1.59 0.27 116.42 116.52 2k3a h ASP 63 Ca 0.13 -0.46 0.09 0.00 0.02 0.00 0.00 57.03 56.82 2k3a h ASP 63 Cb 0.08 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.31 2k3a h ASP 63 CO -0.11 1.23 0.59 0.11 -1.72 0.00 0.00 179.24 179.33 2k3a h LYS 64 N 0.60 0.90 -0.30 3.56 1.79 -0.79 -0.10 116.57 122.23 2k3a h LYS 64 Ca 0.02 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2k3a h LYS 64 Cb 1.12 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 2k3a h LYS 64 CO 0.11 0.59 0.00 1.55 -1.08 0.00 0.00 179.45 180.63 2k3a n VAL 65 N -4.53 0.39 -0.69 0.50 3.14 -0.50 -4.89 118.33 111.75 2k3a n VAL 65 Ca 0.15 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 2k3a n VAL 65 Cb 0.30 0.22 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 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 1.01 1.53 1.37 7.55 0.00 -0.05 -3.06 105.19 113.54 2k3a n GLY 66 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2k3a n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3a n GLY 67 N -2.00 0.62 0.14 -0.02 0.00 0.92 -4.72 105.19 100.14 2k3a n GLY 67 Ca 0.00 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.69 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 0.62 0.41 -4.85 1.61 3.02 -1.17 -4.23 115.26 110.67 2k3a n ASN 68 Ca 0.00 -2.00 -0.25 0.00 -0.03 0.00 0.00 54.58 52.30 2k3a n ASN 68 Cb 0.00 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.88 2.06 -0.16 2.41 -4.36 -1.26 -5.03 121.20 112.98 2k3a s ILE 69 Ca 0.05 -1.52 -0.24 0.00 -0.26 0.00 0.00 60.65 58.67 2k3a s ILE 69 Cb 0.02 -2.59 -0.02 0.00 1.25 0.00 0.00 42.46 41.13 2k3a s ILE 69 CO 0.03 0.00 0.78 -0.83 0.24 0.00 0.00 174.94 175.16 2k3a s GLY 70 N -4.13 2.15 0.57 6.27 0.00 -1.26 -4.92 107.32 106.00 2k3a s GLY 70 Ca 0.39 -0.02 0.37 0.00 0.00 0.00 0.00 44.72 45.46 2k3a s GLY 70 CO 0.23 1.54 2.11 1.48 0.00 0.00 0.00 173.10 178.46 2k3a h SER 71 N 7.30 0.00 0.64 1.64 4.64 -1.93 -2.53 113.55 123.31 2k3a h SER 71 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2k3a h SER 71 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2k3a h SER 71 CO 0.81 0.00 0.00 1.07 -0.87 0.00 0.00 176.83 177.84 2k3a n THR 72 N -2.99 0.10 -0.21 2.95 5.66 -1.26 -3.92 114.28 114.61 2k3a n THR 72 Ca -0.01 0.02 -0.07 0.00 -3.05 0.00 0.00 64.05 60.95 2k3a n THR 72 Cb 0.19 -0.56 0.03 0.00 -1.55 0.00 0.00 70.33 68.44 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 0.81 0.00 1.09 4.06 -1.87 -3.47 115.95 116.58 2k3a h TRP 73 Ca 0.00 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.94 2k3a h TRP 73 Cb 0.32 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 28.22 2k3a h TRP 73 CO 0.00 0.58 0.00 0.41 -3.56 0.00 0.00 178.44 175.87 2k3a n GLY 74 N -1.08 2.53 3.70 1.49 0.00 -1.25 -4.55 105.19 106.03 2k3a n GLY 74 Ca 0.04 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 9.67 3.48 -0.35 1.61 3.02 -1.26 -4.87 115.26 126.56 2k3a n ASN 75 Ca 0.00 1.11 0.01 0.00 -0.03 0.00 0.00 54.58 55.67 2k3a n ASN 75 Cb 0.00 -1.51 0.15 0.00 -0.61 0.00 0.00 39.78 37.80 2k3a n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k3a h ALA 76 N 5.46 1.30 0.00 5.41 0.00 -1.87 0.14 119.26 129.71 2k3a h ALA 76 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2k3a h ALA 76 Cb 1.24 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2k3a h ALA 76 CO 0.85 0.45 0.00 -0.97 0.00 0.00 0.00 179.25 179.58 2k3a h ASN 77 N 1.16 0.00 0.62 0.00 -0.73 -1.81 -2.70 115.58 112.12 2k3a h ASN 77 Ca 0.40 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.57 2k3a h ASN 77 Cb 0.08 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.67 2k3a h ASN 77 CO -0.15 0.00 -1.13 -3.20 -0.37 0.00 0.00 177.43 172.58 2k3a n ASN 78 N -2.98 0.62 -0.25 1.15 5.15 0.44 -4.49 115.26 114.90 2k3a n ASN 78 Ca -0.00 0.06 0.05 0.00 -0.60 0.00 0.00 54.58 54.09 2k3a n ASN 78 Cb 0.22 0.79 0.16 0.00 -0.53 0.00 0.00 39.78 40.42 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 0.00 0.06 -0.38 1.20 4.06 -1.05 0.78 115.95 120.62 2k3a h TRP 79 Ca 0.00 0.05 0.01 0.00 2.06 0.00 0.00 58.89 61.01 2k3a h TRP 79 Cb 0.88 0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 29.10 2k3a h TRP 79 CO 0.00 -0.19 0.23 0.00 -3.56 0.00 0.00 178.44 174.92 2k3a h ALA 80 N 1.66 0.48 -0.91 1.49 0.00 -1.80 0.73 119.26 120.92 2k3a h ALA 80 Ca 0.41 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.33 2k3a h ALA 80 Cb 0.71 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2k3a h ALA 80 CO -0.60 -0.11 0.60 1.03 0.00 0.00 0.00 179.25 180.17 2k3a h SER 81 N 0.46 1.01 0.41 0.00 0.87 -1.19 -1.22 113.55 113.89 2k3a h SER 81 Ca 0.15 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2k3a h SER 81 Cb -0.00 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.72 2k3a h SER 81 CO -0.06 0.72 -0.20 0.00 -0.53 0.00 0.00 176.83 176.75 2k3a h ALA 82 N 1.45 -0.56 -0.33 6.23 0.00 -0.81 -3.15 119.26 122.09 2k3a h ALA 82 Ca 0.34 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.19 2k3a h ALA 82 Cb -0.07 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 2k3a h ALA 82 CO -0.09 -0.53 -0.23 0.00 0.00 0.00 0.00 179.25 178.40 2k3a h ALA 83 N -1.08 -0.03 0.06 0.00 0.00 -0.81 0.29 119.26 117.69 2k3a h ALA 83 Ca -0.06 0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2k3a h ALA 83 Cb 0.45 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2k3a h ALA 83 CO 0.09 -0.62 -0.22 0.66 0.00 0.00 0.00 179.25 179.16 2k3a h SER 84 N -0.19 -0.62 1.09 0.00 4.64 -1.37 0.90 113.55 117.99 2k3a h SER 84 Ca 0.17 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 2k3a h SER 84 Cb 0.45 0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2k3a h SER 84 CO -0.45 -0.29 -0.13 -1.28 -0.87 0.00 0.00 176.83 173.81 2k3a h SER 85 N -0.38 0.00 1.70 4.97 0.87 -1.45 -2.95 113.55 116.32 2k3a h SER 85 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2k3a h SER 85 Cb 0.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2k3a h SER 85 CO -0.15 0.13 -0.06 0.00 -0.53 0.00 0.00 176.83 176.22 2k3a h ALA 86 N 1.87 0.97 0.00 6.23 0.00 0.14 -3.47 119.26 125.00 2k3a h ALA 86 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k3a h ALA 86 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2k3a h ALA 86 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2k3a n GLY 87 N 1.20 1.76 2.57 0.00 0.00 -0.65 -5.05 105.19 105.03 2k3a n GLY 87 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 2k3a n GLY 87 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2k3a n TYR 88 N -0.75 -2.42 -3.62 1.61 4.02 0.22 -5.03 117.16 111.19 2k3a n TYR 88 Ca 0.00 -1.41 -0.39 0.00 -0.01 0.00 0.00 57.90 56.09 2k3a n TYR 88 Cb 0.00 -0.36 -0.08 0.00 -0.02 0.00 0.00 39.34 38.88 2k3a n TYR 88 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2k3a s THR 89 N -1.40 4.12 -0.83 -0.72 2.01 -1.04 -4.57 115.64 113.20 2k3a s THR 89 Ca 0.39 -2.58 -0.16 0.00 0.31 0.00 0.00 61.69 59.66 2k3a s THR 89 Cb -0.03 -3.67 0.19 0.00 0.01 0.00 0.00 72.50 69.00 2k3a s THR 89 CO 0.25 -0.87 0.84 -0.69 -0.69 0.00 0.00 174.62 173.46 2k3a s VAL 90 N 0.34 5.32 0.30 3.82 1.01 -1.26 -0.28 120.40 129.67 2k3a s VAL 90 Ca 0.14 -2.11 0.09 0.00 0.00 0.00 0.00 61.98 60.10 2k3a s VAL 90 Cb -0.20 -4.54 -0.06 0.00 0.00 0.00 0.00 36.38 31.58 2k3a s VAL 90 CO -0.04 -1.15 -0.10 0.20 0.00 0.00 0.00 175.10 174.01 2k3a s ASN 91 N 2.69 3.27 0.00 3.32 0.02 -0.72 -4.87 114.94 118.65 2k3a s ASN 91 Ca 0.21 -1.16 0.28 0.00 -1.02 0.00 0.00 52.86 51.16 2k3a s ASN 91 Cb -0.11 -0.26 1.33 0.00 0.02 0.00 0.00 41.25 42.23 2k3a s ASN 91 CO -0.08 -0.22 1.94 -3.20 0.02 0.00 0.00 177.10 175.56 2k3a n ASN 92 N -0.67 0.00 -4.48 -1.22 4.05 -1.26 -0.88 115.26 110.80 2k3a n ASN 92 Ca -0.05 0.13 -0.45 0.00 0.45 0.00 0.00 54.58 54.66 2k3a n ASN 92 Cb 0.63 -0.37 -0.07 0.00 1.23 0.00 0.00 39.78 41.19 2k3a n ASN 92 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 2k3a n SER 93 N -1.37 1.90 -0.46 1.20 7.64 -1.26 -4.80 113.62 116.47 2k3a n SER 93 Ca 0.11 0.15 0.02 0.00 1.01 0.00 0.00 58.87 60.16 2k3a n SER 93 Cb 0.27 -1.29 0.08 0.00 -1.01 0.00 0.00 64.21 62.25 2k3a n SER 93 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2k3a n PRO 94 N 8.45 1.52 -1.70 1.43 -0.04 -1.26 -4.77 135.00 138.63 2k3a n PRO 94 Ca 0.44 -0.61 -0.36 0.00 -0.04 0.00 0.00 63.50 62.94 2k3a n PRO 94 Cb 0.27 -1.30 0.07 0.00 -0.04 0.00 0.00 33.50 32.50 2k3a n PRO 94 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2k3a s GLU 95 N -1.65 2.51 0.90 0.54 2.02 -1.26 -4.85 118.70 116.91 2k3a s GLU 95 Ca 0.11 1.90 -0.10 0.00 0.02 0.00 0.00 54.97 56.90 2k3a s GLU 95 Cb 0.07 -1.86 0.14 0.00 0.10 0.00 0.00 34.13 32.58 2k3a s GLU 95 CO 0.06 -1.59 1.14 0.00 0.02 0.00 0.00 175.26 174.89 2k3a s ALA 96 N -1.65 1.51 0.00 5.21 0.00 -1.26 -4.03 121.76 121.54 2k3a s ALA 96 Ca 0.78 0.53 0.00 0.00 0.00 0.00 0.00 51.96 53.28 2k3a s ALA 96 Cb -0.33 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2k3a s ALA 96 CO 0.40 -2.68 0.00 0.41 0.00 0.00 0.00 175.76 173.89 2k3a n GLY 97 N 0.05 0.56 3.28 0.00 0.00 -1.15 -5.05 105.19 102.88 2k3a n GLY 97 Ca 0.11 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 2k3a n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3a s SER 98 N -2.96 0.12 -0.31 1.61 0.01 -1.26 -4.58 113.70 106.33 2k3a s SER 98 Ca 0.00 -0.94 -0.11 0.00 1.31 0.00 0.00 55.95 56.20 2k3a s SER 98 Cb 0.00 0.39 -0.03 0.00 0.21 0.00 0.00 66.02 66.59 2k3a s SER 98 CO 0.00 -0.84 0.20 -0.63 0.41 0.00 0.00 173.24 172.38 2k3a s ILE 99 N -3.98 5.16 0.17 1.44 1.09 -0.73 -0.81 121.20 123.54 2k3a s ILE 99 Ca 0.18 -0.09 -0.30 0.00 -1.10 0.00 0.00 60.65 59.34 2k3a s ILE 99 Cb 0.04 -3.56 -0.07 0.00 -1.06 0.00 0.00 42.46 37.81 2k3a s ILE 99 CO -0.00 0.12 0.97 -0.22 -0.10 0.00 0.00 174.94 175.71 2k3a s LEU 100 N 1.72 4.55 -0.30 2.97 0.20 0.76 -0.83 118.68 127.75 2k3a s LEU 100 Ca 0.06 1.90 0.04 0.00 0.69 0.00 0.00 54.13 56.81 2k3a s LEU 100 Cb -0.17 -3.60 0.08 0.00 -0.43 0.00 0.00 46.19 42.08 2k3a s LEU 100 CO 0.10 -0.00 -0.02 -1.58 -0.29 0.00 0.00 176.35 174.55 2k3a s GLN 101 N -0.51 1.82 -1.12 1.98 0.74 0.14 -1.11 119.66 121.60 2k3a s GLN 101 Ca 0.45 -1.64 -0.18 0.00 0.05 0.00 0.00 55.36 54.04 2k3a s GLN 101 Cb -0.25 -3.06 0.10 0.00 1.10 0.00 0.00 33.01 30.90 2k3a s GLN 101 CO 0.32 -0.77 1.45 -1.12 -0.55 0.00 0.00 175.29 174.61 2k3a s SER 102 N 0.99 6.76 0.18 6.67 0.01 0.24 -2.44 113.70 126.11 2k3a s SER 102 Ca 0.02 -2.22 -0.09 0.00 1.31 0.00 0.00 55.95 54.97 2k3a s SER 102 Cb -0.19 -2.49 0.07 0.00 0.21 0.00 0.00 66.02 63.62 2k3a s SER 102 CO -0.07 -1.13 1.65 0.71 0.41 0.00 0.00 173.24 174.81 2k3a h THR 103 N 5.74 1.27 -2.45 1.44 1.35 -1.84 0.39 112.91 118.80 2k3a h THR 103 Ca 0.28 -1.13 -0.53 0.00 -0.55 0.00 0.00 66.41 64.48 2k3a h THR 103 Cb 0.94 0.76 -0.06 0.00 -1.73 0.00 0.00 68.15 68.06 2k3a h THR 103 CO 1.32 0.41 1.17 0.00 -0.25 0.00 0.00 175.52 178.17 2k3a s ALA 104 N -5.07 2.61 0.00 6.62 0.00 -1.26 -4.11 121.76 120.55 2k3a s ALA 104 Ca -0.12 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2k3a s ALA 104 Cb 0.14 -4.20 0.00 0.00 0.00 0.00 0.00 23.12 19.06 2k3a s ALA 104 CO 0.86 -3.29 0.00 0.41 0.00 0.00 0.00 175.76 173.73 2k3a n GLY 105 N 5.42 -0.36 3.06 0.00 0.00 -1.26 -4.98 105.19 107.06 2k3a n GLY 105 Ca 0.12 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 3.07 2.97 -0.02 0.00 -1.26 -4.37 105.19 105.57 2k3a n GLY 106 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 7.77 0.00 0.00 1.61 4.01 -1.26 -4.68 117.16 124.61 2k3a n TYR 107 Ca 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.24 2k3a n TYR 107 Cb 0.41 -1.67 0.00 0.00 -0.31 0.00 0.00 39.34 37.77 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 0.17 3.97 3.01 2.72 0.00 -1.26 -4.20 105.19 109.59 2k3a n GLY 108 Ca 0.00 -1.23 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 2k3a n GLY 108 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k3a s HIS 109 N 0.00 0.42 -0.00 1.61 2.46 0.13 -4.58 115.29 115.32 2k3a s HIS 109 Ca 0.00 -0.51 -0.02 0.00 0.47 0.00 0.00 55.06 55.01 2k3a s HIS 109 Cb 0.00 -0.27 -0.00 0.00 -0.13 0.00 0.00 32.58 32.18 2k3a s HIS 109 CO 0.00 -0.14 0.03 0.14 -2.47 0.00 0.00 174.74 172.30 2k3a s VAL 110 N -1.39 0.04 -0.11 0.89 -7.23 -1.26 0.79 120.40 112.13 2k3a s VAL 110 Ca -0.13 -0.34 -0.18 0.00 -1.81 0.00 0.00 61.98 59.51 2k3a s VAL 110 Cb -0.10 -0.16 0.04 0.00 0.56 0.00 0.00 36.38 36.72 2k3a s VAL 110 CO -0.00 -0.19 0.46 0.00 -0.31 0.00 0.00 175.10 175.06 2k3a s ALA 111 N -0.56 -1.16 0.08 1.32 0.00 -0.26 -4.68 121.76 116.49 2k3a s ALA 111 Ca -0.06 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.64 2k3a s ALA 111 Cb -0.04 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 2k3a s ALA 111 CO -0.00 -0.26 0.94 -0.47 0.00 0.00 0.00 175.76 175.97 2k3a s TYR 112 N -0.46 3.77 -0.35 0.00 5.04 -1.26 -0.17 117.35 123.92 2k3a s TYR 112 Ca -0.06 1.74 -0.29 0.00 -2.44 0.00 0.00 57.07 56.02 2k3a s TYR 112 Cb -0.03 -3.04 0.01 0.00 0.35 0.00 0.00 41.96 39.25 2k3a s TYR 112 CO 0.03 0.17 1.18 0.08 -1.34 0.00 0.00 175.55 175.67 2k3a s VAL 113 N 0.19 4.30 0.01 3.14 1.01 0.01 -0.19 120.40 128.87 2k3a s VAL 113 Ca 0.47 1.45 -0.18 0.00 0.00 0.00 0.00 61.98 63.72 2k3a s VAL 113 Cb -0.22 -4.37 -0.33 0.00 0.00 0.00 0.00 36.38 31.46 2k3a s VAL 113 CO 0.29 -0.61 1.00 -0.33 0.00 0.00 0.00 175.10 175.45 2k3a h GLU 114 N 8.83 0.49 -1.73 2.72 4.39 -0.83 -3.06 114.58 125.39 2k3a h GLU 114 Ca -0.23 -0.77 0.08 0.00 0.34 0.00 0.00 59.36 58.77 2k3a h GLU 114 Cb 1.07 0.28 -0.21 0.00 -0.10 0.00 0.00 28.75 29.79 2k3a h GLU 114 CO 1.06 1.36 0.51 1.21 -1.16 0.00 0.00 179.01 181.99 2k3a s ASN 115 N -7.34 -0.39 -0.15 1.42 2.47 -0.97 -4.83 114.94 105.14 2k3a s ASN 115 Ca -0.11 0.35 0.01 0.00 0.42 0.00 0.00 52.86 53.54 2k3a s ASN 115 Cb 0.03 0.34 0.02 0.00 -1.45 0.00 0.00 41.25 40.19 2k3a s ASN 115 CO 0.91 -0.41 -0.19 -0.69 -3.72 0.00 0.00 177.10 172.99 2k3a s VAL 116 N -1.50 1.93 0.58 -5.21 1.01 -1.26 -0.25 120.40 115.70 2k3a s VAL 116 Ca -0.01 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 2k3a s VAL 116 Cb -0.01 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2k3a s VAL 116 CO 0.00 0.52 0.94 0.20 0.00 0.00 0.00 175.10 176.77 2k3a s ASN 117 N 1.13 6.09 0.63 3.32 0.01 -0.75 -4.94 114.94 120.43 2k3a s ASN 117 Ca -0.00 1.15 0.33 0.00 -0.71 0.00 0.00 52.86 53.63 2k3a s ASN 117 Cb -0.14 -2.26 1.82 0.00 0.41 0.00 0.00 41.25 41.08 2k3a s ASN 117 CO -0.08 -0.84 2.09 0.28 -1.51 0.00 0.00 177.10 177.04 2k3a h SER 118 N -0.16 0.00 0.22 -1.22 0.02 -2.01 0.96 113.55 111.36 2k3a h SER 118 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2k3a h SER 118 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2k3a h SER 118 CO 0.62 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.78 2k3a n ASP 119 N -3.33 0.00 0.00 3.07 9.92 -1.26 -4.82 116.55 120.13 2k3a n ASP 119 Ca -0.00 0.43 0.00 0.00 -0.53 0.00 0.00 54.79 54.69 2k3a n ASP 119 Cb 0.31 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 2k3a n ASP 119 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k3a n GLY 120 N -0.76 0.73 3.73 0.44 0.00 0.33 -4.68 105.19 104.97 2k3a n GLY 120 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.45 6.92 -0.26 1.61 0.01 -1.24 -3.00 113.70 115.29 2k3a s SER 121 Ca 0.00 1.10 -0.18 0.00 1.31 0.00 0.00 55.95 58.17 2k3a s SER 121 Cb 0.00 -2.37 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 2k3a s SER 121 CO 0.00 -0.02 0.53 -0.69 0.41 0.00 0.00 173.24 173.46 2k3a s VAL 122 N 0.46 5.06 -0.44 3.43 1.01 0.20 -1.81 120.40 128.31 2k3a s VAL 122 Ca 0.33 0.91 -0.16 0.00 0.00 0.00 0.00 61.98 63.05 2k3a s VAL 122 Cb -0.17 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.41 2k3a s VAL 122 CO 0.16 0.08 0.40 -1.61 0.00 0.00 0.00 175.10 174.13 2k3a s GLU 123 N 2.33 3.02 0.28 2.72 2.02 0.65 -0.38 118.70 129.35 2k3a s GLU 123 Ca 0.22 -1.05 0.07 0.00 0.02 0.00 0.00 54.97 54.22 2k3a s GLU 123 Cb -0.16 -4.04 -0.03 0.00 0.10 0.00 0.00 34.13 30.00 2k3a s GLU 123 CO 0.09 -0.92 0.25 0.14 0.02 0.00 0.00 175.26 174.84 2k3a s VAL 124 N 1.88 4.20 -0.23 2.63 -7.23 -0.19 -0.12 120.40 121.34 2k3a s VAL 124 Ca 0.07 -1.34 -0.15 0.00 -1.81 0.00 0.00 61.98 58.76 2k3a s VAL 124 Cb -0.20 -3.37 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 2k3a s VAL 124 CO 0.10 -0.28 0.35 -0.55 -0.31 0.00 0.00 175.10 174.40 2k3a s SER 125 N -3.92 6.32 0.09 4.85 0.15 0.73 -0.24 113.70 121.69 2k3a s SER 125 Ca 0.36 0.37 0.07 0.00 0.70 0.00 0.00 55.95 57.46 2k3a s SER 125 Cb -0.07 -2.20 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 2k3a s SER 125 CO 0.26 -0.08 -0.19 -1.61 1.20 0.00 0.00 173.24 172.82 2k3a s GLU 126 N 1.48 1.05 -0.19 5.44 2.02 -0.61 -4.01 118.70 123.87 2k3a s GLU 126 Ca 0.16 -1.11 -0.09 0.00 0.02 0.00 0.00 54.97 53.94 2k3a s GLU 126 Cb -0.15 -1.25 -0.05 0.00 0.10 0.00 0.00 34.13 32.79 2k3a s GLU 126 CO 0.08 0.29 0.13 1.41 0.02 0.00 0.00 175.26 177.19 2k3a s MET 127 N -1.87 4.07 -0.03 1.61 -2.45 -1.26 -0.41 119.30 118.96 2k3a s MET 127 Ca 0.04 -0.21 -0.03 0.00 -1.25 0.00 0.00 55.69 54.24 2k3a s MET 127 Cb -0.10 -3.38 -0.01 0.00 1.25 0.00 0.00 34.83 32.59 2k3a s MET 127 CO 0.04 0.38 -0.06 -1.71 1.05 0.00 0.00 175.02 174.71 2k3a n ASN 128 N 3.28 0.38 -4.69 1.11 5.15 -0.64 -4.97 115.26 114.88 2k3a n ASN 128 Ca -0.17 0.13 -0.41 0.00 -0.60 0.00 0.00 54.58 53.53 2k3a n ASN 128 Cb 0.52 -0.56 -0.04 0.00 -0.53 0.00 0.00 39.78 39.18 2k3a n ASN 128 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 2k3a s TYR 129 N -1.35 3.49 0.18 1.20 5.04 -1.26 -4.96 117.35 119.70 2k3a s TYR 129 Ca -0.05 1.36 -0.13 0.00 -2.44 0.00 0.00 57.07 55.82 2k3a s TYR 129 Cb 0.01 -3.02 0.17 0.00 0.35 0.00 0.00 41.96 39.47 2k3a s TYR 129 CO 0.08 -0.15 1.76 -0.91 -1.34 0.00 0.00 175.55 174.99 2k3a h ASN 130 N 7.12 0.27 -0.20 4.32 4.21 -1.97 -0.57 115.58 128.76 2k3a h ASN 130 Ca -0.33 0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.23 2k3a h ASN 130 Cb 1.16 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.36 2k3a h ASN 130 CO 0.81 0.18 0.00 0.61 -1.29 0.00 0.00 177.43 177.75 2k3a n GLY 131 N -1.26 1.63 2.58 2.83 0.00 -1.26 -4.51 105.19 105.20 2k3a n GLY 131 Ca 0.05 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 2k3a n GLY 131 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k3a s GLY 132 N -0.41 1.81 0.00 -0.02 0.00 -0.22 -4.96 107.32 103.52 2k3a s GLY 132 Ca 0.18 -2.92 0.10 0.00 0.00 0.00 0.00 44.72 42.08 2k3a s GLY 132 CO 0.06 1.74 1.12 -1.55 0.00 0.00 0.00 173.10 174.47 2k3a n PRO 133 N 2.61 0.26 -0.05 2.90 -0.04 -1.26 -0.65 135.00 138.77 2k3a n PRO 133 Ca 0.25 0.07 0.04 0.00 -0.04 0.00 0.00 63.50 63.83 2k3a n PRO 133 Cb 0.42 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.45 2k3a n PRO 133 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2k3a n PHE 134 N -1.11 0.12 -2.87 0.54 -1.74 -1.26 -4.89 117.46 106.25 2k3a n PHE 134 Ca 0.07 -0.17 -0.44 0.00 -0.56 0.00 0.00 57.45 56.36 2k3a n PHE 134 Cb 0.05 -0.01 -0.02 0.00 1.52 0.00 0.00 39.48 41.02 2k3a n PHE 134 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 2k3a s SER 135 N -0.82 6.75 0.07 5.98 0.01 0.18 -5.00 113.70 120.86 2k3a s SER 135 Ca 0.13 -2.26 0.04 0.00 1.31 0.00 0.00 55.95 55.17 2k3a s SER 135 Cb 0.08 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 2k3a s SER 135 CO 0.12 -1.03 -0.01 -0.69 0.41 0.00 0.00 173.24 172.03 2k3a s VAL 136 N 2.72 3.95 -0.05 3.43 1.01 -1.26 -1.62 120.40 128.58 2k3a s VAL 136 Ca 0.38 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 2k3a s VAL 136 Cb -0.03 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.52 2k3a s VAL 136 CO -0.06 0.18 0.13 -0.44 0.00 0.00 0.00 175.10 174.91 2k3a s SER 137 N -2.12 -0.12 -0.24 3.32 0.01 0.46 -4.95 113.70 110.07 2k3a s SER 137 Ca 0.24 0.26 -0.26 0.00 1.31 0.00 0.00 55.95 57.50 2k3a s SER 137 Cb -0.12 0.22 -0.00 0.00 0.21 0.00 0.00 66.02 66.34 2k3a s SER 137 CO 0.16 -0.08 0.88 -1.61 0.41 0.00 0.00 173.24 173.00 2k3a s GLU 138 N 0.44 4.21 -0.29 12.44 8.01 -1.26 -1.57 118.70 140.68 2k3a s GLU 138 Ca -0.03 1.05 -0.16 0.00 0.01 0.00 0.00 54.97 55.84 2k3a s GLU 138 Cb -0.05 -3.64 -0.03 0.00 -4.31 0.00 0.00 34.13 26.11 2k3a s GLU 138 CO -0.02 -0.54 0.44 0.50 0.01 0.00 0.00 175.26 175.65 2k3a s ARG 139 N 2.91 3.91 -0.53 1.61 6.06 0.67 -4.86 118.95 128.72 2k3a s ARG 139 Ca 0.37 0.04 -0.21 0.00 -2.50 0.00 0.00 55.73 53.43 2k3a s ARG 139 Cb -0.15 -3.70 0.05 0.00 0.06 0.00 0.00 34.95 31.21 2k3a s ARG 139 CO 0.07 -0.39 0.77 0.99 -2.50 0.00 0.00 175.30 174.24 2k3a s THR 140 N 2.20 4.65 -0.17 4.11 2.01 -1.26 -1.03 115.64 126.16 2k3a s THR 140 Ca 0.17 -0.18 -0.09 0.00 0.31 0.00 0.00 61.69 61.90 2k3a s THR 140 Cb -0.16 -4.42 -0.05 0.00 0.01 0.00 0.00 72.50 67.89 2k3a s THR 140 CO 0.11 -0.97 0.15 -0.63 -0.69 0.00 0.00 174.62 172.59 2k3a s ILE 141 N 3.24 5.42 0.68 1.82 1.01 0.49 -4.92 121.20 128.95 2k3a s ILE 141 Ca 0.22 0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.98 2k3a s ILE 141 Cb -0.16 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.85 2k3a s ILE 141 CO 0.15 0.50 1.07 -0.44 0.00 0.00 0.00 174.94 176.22 2k3a s SER 142 N -0.12 5.24 0.14 3.58 0.01 -1.26 0.62 113.70 121.90 2k3a s SER 142 Ca 0.11 1.77 -0.18 0.00 1.31 0.00 0.00 55.95 58.96 2k3a s SER 142 Cb -0.12 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.61 2k3a s SER 142 CO 0.01 -1.54 1.71 0.00 0.41 0.00 0.00 173.24 173.83 2k3a h ALA 143 N -0.42 0.22 -0.53 1.44 0.00 -1.81 0.17 119.26 118.33 2k3a h ALA 143 Ca -0.45 0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.61 2k3a h ALA 143 Cb 1.22 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 2k3a h ALA 143 CO 0.55 -0.43 0.24 0.78 0.00 0.00 0.00 179.25 180.39 2k3a h GLY 144 N 0.06 0.74 1.05 0.00 0.00 -1.93 -0.36 103.07 102.62 2k3a h GLY 144 Ca 0.13 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 2k3a h GLY 144 CO -0.24 0.06 0.16 -2.09 0.00 0.00 0.00 176.54 174.44 2k3a h GLU 145 N 0.45 1.09 0.00 4.80 4.57 -1.82 -2.97 114.58 120.69 2k3a h GLU 145 Ca 0.25 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2k3a h GLU 145 Cb 0.21 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2k3a h GLU 145 CO -0.21 0.97 -0.05 0.00 -1.18 0.00 0.00 179.01 178.54 2k3a h ALA 146 N 1.07 1.03 0.00 2.92 0.00 0.04 -3.03 119.26 121.29 2k3a h ALA 146 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2k3a h ALA 146 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k3a h ALA 146 CO 0.00 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.18 2k3a n SER 147 N -3.19 0.42 -0.92 0.00 3.41 -0.21 -1.31 113.62 111.82 2k3a n SER 147 Ca -0.00 0.64 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 2k3a n SER 147 Cb 0.30 -0.71 0.13 0.00 -0.26 0.00 0.00 64.21 63.66 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 -2.00 2.97 -4.80 4.04 2.88 -1.14 -4.96 113.62 110.60 2k3a n SER 148 Ca 0.01 -1.90 -0.33 0.00 -1.33 0.00 0.00 58.87 55.32 2k3a n SER 148 Cb 0.13 -0.10 -0.07 0.00 -0.75 0.00 0.00 64.21 63.43 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 -1.58 3.32 -0.02 0.66 2.02 -0.42 -4.71 117.35 116.61 2k3a s TYR 149 Ca 0.29 0.22 -0.14 0.00 -0.37 0.00 0.00 57.07 57.07 2k3a s TYR 149 Cb 0.19 -1.74 -0.05 0.00 -0.40 0.00 0.00 41.96 39.95 2k3a s TYR 149 CO 0.27 0.56 0.37 -0.80 -1.57 0.00 0.00 175.55 174.39 2k3a s ASN 150 N -1.85 6.75 -0.22 2.29 0.01 -1.02 -4.69 114.94 116.20 2k3a s ASN 150 Ca 0.24 0.89 -0.00 0.00 -0.71 0.00 0.00 52.86 53.28 2k3a s ASN 150 Cb -0.12 -2.23 0.02 0.00 0.41 0.00 0.00 41.25 39.34 2k3a s ASN 150 CO 0.16 0.33 -0.12 -0.31 -1.51 0.00 0.00 177.10 175.65 2k3a s TYR 151 N -1.01 2.97 -0.38 2.20 1.51 -0.06 0.28 117.35 122.86 2k3a s TYR 151 Ca 0.22 -1.61 -0.22 0.00 -1.01 0.00 0.00 57.07 54.45 2k3a s TYR 151 Cb -0.16 -2.00 0.01 0.00 -0.11 0.00 0.00 41.96 39.71 2k3a s TYR 151 CO 0.12 -0.76 0.72 0.42 -1.11 0.00 0.00 175.55 174.95 2k3a s ILE 152 N 1.30 4.78 -0.15 2.71 1.09 -0.01 -1.75 121.20 129.17 2k3a s ILE 152 Ca 0.02 0.65 -0.08 0.00 -1.10 0.00 0.00 60.65 60.13 2k3a s ILE 152 Cb -0.15 -4.18 -0.04 0.00 -1.06 0.00 0.00 42.46 37.02 2k3a s ILE 152 CO -0.08 -0.45 0.14 -1.00 -0.10 0.00 0.00 174.94 173.45 2k3a s HIS 153 N 2.98 3.53 -0.14 3.97 3.76 0.62 -1.77 115.29 128.24 2k3a s HIS 153 Ca 0.28 0.45 0.16 0.00 -0.15 0.00 0.00 55.06 55.80 2k3a s HIS 153 Cb -0.13 -2.03 -0.24 0.00 1.11 0.00 0.00 32.58 31.29 2k3a s HIS 153 CO 0.17 0.56 0.31 1.28 -0.85 0.00 0.00 174.74 176.22 2k3a n LEU 154 N 2.59 0.35 0.00 0.89 4.77 -1.26 -2.51 117.00 121.82 2k3a n LEU 154 Ca -0.18 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2k3a n LEU 154 Cb 0.54 0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 2k3a n LEU 154 CO 0.33 0.45 0.00 0.59 -1.33 0.00 0.00 177.39 177.43