#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5k s SER 2 N 0.00 0.14 0.02 1.61 0.15 -1.26 -5.16 113.70 109.20 1x5k s SER 2 Ca 0.00 -0.29 0.02 0.00 0.70 0.00 0.00 55.95 56.38 1x5k s SER 2 Cb 0.00 0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.35 1x5k s SER 2 CO 0.00 -0.18 -0.06 -0.94 1.20 0.00 0.00 173.24 173.26 1x5k s SER 3 N -0.85 0.70 -0.30 5.45 1.04 -1.26 -5.08 113.70 113.40 1x5k s SER 3 Ca -0.09 -0.38 -0.02 0.00 0.48 0.00 0.00 55.95 55.94 1x5k s SER 3 Cb -0.06 0.01 0.29 0.00 0.10 0.00 0.00 66.02 66.36 1x5k s SER 3 CO -0.01 -0.12 1.34 0.61 0.98 0.00 0.00 173.24 176.05 1x5k n GLY 4 N 2.00 -2.00 3.73 7.32 0.00 -1.26 -5.17 105.19 109.81 1x5k n GLY 4 Ca -0.19 1.11 -0.29 0.00 0.00 0.00 0.00 46.02 46.65 1x5k n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5k s SER 5 N -0.01 2.64 0.06 1.61 0.01 -1.26 -5.08 113.70 111.67 1x5k s SER 5 Ca 0.24 0.89 0.08 0.00 1.31 0.00 0.00 55.95 58.46 1x5k s SER 5 Cb 0.23 -1.37 -0.03 0.00 0.21 0.00 0.00 66.02 65.06 1x5k s SER 5 CO -0.10 -3.09 -0.22 -0.44 0.41 0.00 0.00 173.24 169.81 1x5k s SER 6 N -3.91 2.59 0.00 2.44 0.01 -1.26 -5.09 113.70 108.48 1x5k s SER 6 Ca 0.67 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1x5k s SER 6 Cb -0.14 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1x5k s SER 6 CO 0.55 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.95 1x5k n GLY 7 N 1.59 2.14 2.66 3.44 0.00 -1.26 -5.04 105.19 108.71 1x5k n GLY 7 Ca -0.18 -2.11 -0.37 0.00 0.00 0.00 0.00 46.02 43.36 1x5k n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1x5k n THR 8 N -0.09 1.55 -4.57 2.61 5.66 -1.26 -4.97 114.28 113.20 1x5k n THR 8 Ca 0.00 -0.39 -0.27 0.00 -3.05 0.00 0.00 64.05 60.34 1x5k n THR 8 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 1x5k n THR 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x5k s ALA 9 N -0.79 3.19 0.12 1.79 0.00 -1.26 -5.17 121.76 119.63 1x5k s ALA 9 Ca 0.50 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 1x5k s ALA 9 Cb -0.72 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1x5k s ALA 9 CO 0.44 -0.25 0.13 -1.58 0.00 0.00 0.00 175.76 174.49 1x5k s HIS 10 N -3.12 0.57 0.00 0.00 5.65 -1.26 -5.09 115.29 112.04 1x5k s HIS 10 Ca 0.20 -0.98 0.00 0.00 0.25 0.00 0.00 55.06 54.54 1x5k s HIS 10 Cb 0.03 -0.28 0.00 0.00 -1.18 0.00 0.00 32.58 31.15 1x5k s HIS 10 CO 0.12 -0.56 0.00 0.41 -0.65 0.00 0.00 174.74 174.06 1x5k n GLY 11 N -0.09 0.90 3.55 1.59 0.00 -1.26 -4.85 105.19 105.03 1x5k n GLY 11 Ca -0.09 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 1x5k n GLY 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x5k s THR 12 N 0.00 3.16 -0.14 2.61 -4.23 -1.26 -4.72 115.64 111.07 1x5k s THR 12 Ca 0.00 0.10 -0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1x5k s THR 12 Cb 0.00 -3.42 -0.07 0.00 1.34 0.00 0.00 72.50 70.35 1x5k s THR 12 CO 0.00 -0.40 -0.17 1.07 -0.54 0.00 0.00 174.62 174.58 1x5k n THR 13 N 7.65 0.79 -2.51 3.99 5.66 -1.26 -4.81 114.28 123.79 1x5k n THR 13 Ca 0.29 -0.23 -0.02 0.00 -3.05 0.00 0.00 64.05 61.04 1x5k n THR 13 Cb 0.53 -1.48 0.05 0.00 -1.55 0.00 0.00 70.33 67.89 1x5k n THR 13 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 1x5k n PHE 14 N -3.42 1.07 -3.76 1.09 -0.00 -1.26 -5.06 117.46 106.12 1x5k n PHE 14 Ca -0.27 -1.67 -0.13 0.00 -0.00 0.00 0.00 57.45 55.38 1x5k n PHE 14 Cb 0.72 -0.23 -0.11 0.00 -0.00 0.00 0.00 39.48 39.86 1x5k n PHE 14 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1x5k s GLU 15 N -2.73 0.36 -0.22 -4.13 2.02 -1.26 -5.14 118.70 107.59 1x5k s GLU 15 Ca 0.34 0.47 -0.02 0.00 0.02 0.00 0.00 54.97 55.79 1x5k s GLU 15 Cb 0.36 0.14 0.01 0.00 0.10 0.00 0.00 34.13 34.74 1x5k s GLU 15 CO -0.06 -0.06 -0.09 -0.51 0.02 0.00 0.00 175.26 174.55 1x5k s LEU 16 N 0.35 2.83 0.75 1.80 2.01 -1.26 -4.83 118.68 120.33 1x5k s LEU 16 Ca -0.01 -0.66 -0.15 0.00 0.01 0.00 0.00 54.13 53.32 1x5k s LEU 16 Cb -0.03 -1.64 0.03 0.00 0.01 0.00 0.00 46.19 44.55 1x5k s LEU 16 CO -0.01 -0.06 1.01 1.33 1.01 0.00 0.00 176.35 179.62 1x5k n VAL 17 N 4.70 2.53 -2.04 -1.59 0.24 -1.26 -3.83 118.33 117.07 1x5k n VAL 17 Ca -0.18 -0.32 -0.35 0.00 -2.04 0.00 0.00 64.34 61.45 1x5k n VAL 17 Cb 0.49 -1.11 -0.04 0.00 -1.47 0.00 0.00 33.84 31.71 1x5k n VAL 17 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1x5k s PRO 18 N -3.55 2.60 -0.03 7.34 0.04 -1.26 -4.81 135.00 135.33 1x5k s PRO 18 Ca 0.73 0.34 0.02 0.00 0.04 0.00 0.00 61.00 62.13 1x5k s PRO 18 Cb -0.33 -4.59 0.12 0.00 0.04 0.00 0.00 34.50 29.74 1x5k s PRO 18 CO 0.51 -2.93 0.71 0.25 0.04 0.00 0.00 177.00 175.58 1x5k n THR 19 N 7.41 0.37 -4.99 1.26 -2.24 -1.26 -3.91 114.28 110.92 1x5k n THR 19 Ca 0.26 -0.19 -0.29 0.00 -2.27 0.00 0.00 64.05 61.56 1x5k n THR 19 Cb 0.51 -0.42 -0.17 0.00 -2.10 0.00 0.00 70.33 68.15 1x5k n THR 19 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1x5k s SER 20 N -0.19 2.55 0.86 3.42 0.15 -1.26 -4.75 113.70 114.48 1x5k s SER 20 Ca 0.08 -0.44 -0.11 0.00 0.70 0.00 0.00 55.95 56.18 1x5k s SER 20 Cb 0.06 -0.94 0.11 0.00 -1.71 0.00 0.00 66.02 63.54 1x5k s SER 20 CO 0.02 0.15 1.09 -2.16 1.20 0.00 0.00 173.24 173.55 1x5k s PRO 21 N 0.21 1.56 1.15 5.44 0.04 -1.26 -4.70 135.00 137.43 1x5k s PRO 21 Ca -0.10 0.92 -0.17 0.00 0.04 0.00 0.00 61.00 61.69 1x5k s PRO 21 Cb -0.15 -1.84 0.26 0.00 0.04 0.00 0.00 34.50 32.82 1x5k s PRO 21 CO 0.05 -2.06 1.10 -1.25 0.04 0.00 0.00 177.00 174.88 1x5k s PRO 22 N -4.93 -0.78 0.39 0.56 0.04 -1.26 -4.28 135.00 124.75 1x5k s PRO 22 Ca 0.63 0.09 0.04 0.00 0.04 0.00 0.00 61.00 61.80 1x5k s PRO 22 Cb -0.18 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 1x5k s PRO 22 CO 0.57 -3.45 0.14 0.15 0.04 0.00 0.00 177.00 174.45 1x5k s LYS 23 N -5.27 1.89 -1.43 4.56 1.02 -0.03 -4.83 119.74 115.64 1x5k s LYS 23 Ca 0.69 -2.14 -0.12 0.00 0.02 0.00 0.00 55.97 54.43 1x5k s LYS 23 Cb -0.12 -0.49 0.09 0.00 -0.52 0.00 0.00 37.83 36.78 1x5k s LYS 23 CO 0.57 -0.49 0.66 -3.47 -0.92 0.00 0.00 175.35 171.70 1x5k n ASP 24 N -1.29 -4.09 -4.57 2.83 2.03 -1.26 0.28 116.55 110.47 1x5k n ASP 24 Ca -0.04 -0.57 -0.40 0.00 0.52 0.00 0.00 54.79 54.29 1x5k n ASP 24 Cb 0.65 -3.34 -0.03 0.00 -0.72 0.00 0.00 41.12 37.68 1x5k n ASP 24 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1x5k s VAL 25 N -3.09 3.38 0.04 5.18 1.01 -1.26 -3.44 120.40 122.22 1x5k s VAL 25 Ca 0.51 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.85 1x5k s VAL 25 Cb -0.27 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1x5k s VAL 25 CO 0.63 -0.59 -0.11 0.42 0.00 0.00 0.00 175.10 175.46 1x5k s THR 26 N 8.30 0.81 -0.22 3.92 -4.23 -0.69 -5.02 115.64 118.51 1x5k s THR 26 Ca 0.76 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 1x5k s THR 26 Cb -0.18 -0.79 0.06 0.00 1.34 0.00 0.00 72.50 72.93 1x5k s THR 26 CO 0.27 -0.16 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.45 1x5k s VAL 27 N -1.02 1.42 0.36 2.29 1.01 -1.26 -0.77 120.40 122.42 1x5k s VAL 27 Ca -0.03 -1.09 0.08 0.00 0.00 0.00 0.00 61.98 60.94 1x5k s VAL 27 Cb -0.08 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1x5k s VAL 27 CO 0.01 -0.06 0.15 0.68 0.00 0.00 0.00 175.10 175.88 1x5k s VAL 28 N 1.46 2.81 0.36 2.92 -7.23 0.10 -4.98 120.40 115.84 1x5k s VAL 28 Ca -0.04 -1.70 0.08 0.00 -1.81 0.00 0.00 61.98 58.50 1x5k s VAL 28 Cb -0.18 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.75 1x5k s VAL 28 CO -0.07 -0.14 0.19 -0.94 -0.31 0.00 0.00 175.10 173.84 1x5k s SER 29 N -3.86 4.73 -0.14 4.85 1.04 -1.26 0.31 113.70 119.38 1x5k s SER 29 Ca 0.39 -0.80 -0.07 0.00 0.48 0.00 0.00 55.95 55.94 1x5k s SER 29 Cb -0.01 -0.68 -0.04 0.00 0.10 0.00 0.00 66.02 65.39 1x5k s SER 29 CO 0.23 -0.40 0.13 -0.75 0.98 0.00 0.00 173.24 173.43 1x5k s LYS 30 N -3.91 3.58 -0.01 4.02 2.20 -0.19 -4.65 119.74 120.79 1x5k s LYS 30 Ca 0.40 -0.17 -0.15 0.00 -0.36 0.00 0.00 55.97 55.69 1x5k s LYS 30 Cb -0.02 -3.22 -0.09 0.00 -1.51 0.00 0.00 37.83 33.00 1x5k s LYS 30 CO 0.24 0.67 0.78 1.49 -0.36 0.00 0.00 175.35 178.16 1x5k h GLU 31 N 5.38 -0.54 -1.14 4.03 4.81 -1.96 -3.23 114.58 121.93 1x5k h GLU 31 Ca -0.51 0.04 0.35 0.00 -0.13 0.00 0.00 59.36 59.10 1x5k h GLU 31 Cb 1.21 0.12 -0.13 0.00 0.63 0.00 0.00 28.75 30.59 1x5k h GLU 31 CO 0.62 -0.36 0.71 0.78 -0.73 0.00 0.00 179.01 180.03 1x5k h GLY 32 N -0.90 1.53 -6.37 1.92 0.00 -1.97 -3.38 103.07 93.91 1x5k h GLY 32 Ca -0.06 -0.18 -0.37 0.00 0.00 0.00 0.00 47.33 46.73 1x5k h GLY 32 CO 0.09 -0.36 -0.75 1.25 0.00 0.00 0.00 176.54 176.77 1x5k s LYS 33 N -5.47 0.46 -0.02 4.80 2.36 -1.22 -5.05 119.74 115.60 1x5k s LYS 33 Ca -0.09 0.02 -0.25 0.00 -2.55 0.00 0.00 55.97 53.10 1x5k s LYS 33 Cb 0.29 -0.60 -0.20 0.00 -1.05 0.00 0.00 37.83 36.27 1x5k s LYS 33 CO 0.80 -0.12 1.27 -1.00 1.55 0.00 0.00 175.35 177.85 1x5k h PRO 34 N 7.26 0.04 -0.86 4.03 0.13 -1.75 -3.23 132.00 137.62 1x5k h PRO 34 Ca -0.40 -0.02 0.11 0.00 -0.87 0.00 0.00 66.00 64.81 1x5k h PRO 34 Cb 1.14 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.19 1x5k h PRO 34 CO 0.47 0.52 0.50 0.87 -0.23 0.00 0.00 178.00 180.12 1x5k h LYS 35 N -0.44 0.78 -6.71 0.86 1.57 -1.88 -3.41 116.57 107.34 1x5k h LYS 35 Ca 0.00 -0.05 -0.52 0.00 -1.87 0.00 0.00 60.65 58.21 1x5k h LYS 35 Cb 0.51 -0.18 0.04 0.00 0.08 0.00 0.00 32.23 32.69 1x5k h LYS 35 CO 0.00 0.52 0.70 0.99 -0.57 0.00 0.00 179.45 181.09 1x5k s THR 36 N -6.01 2.95 0.02 -0.16 2.01 -1.22 -4.44 115.64 108.79 1x5k s THR 36 Ca -0.12 0.79 0.00 0.00 0.31 0.00 0.00 61.69 62.67 1x5k s THR 36 Cb 0.20 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 1x5k s THR 36 CO 0.79 0.12 -0.04 0.27 -0.69 0.00 0.00 174.62 175.07 1x5k s ILE 37 N 0.09 0.16 -0.18 1.82 -4.36 -0.53 -1.02 121.20 117.19 1x5k s ILE 37 Ca 0.58 -0.92 -0.01 0.00 -0.26 0.00 0.00 60.65 60.05 1x5k s ILE 37 Cb -0.39 -0.30 -0.00 0.00 1.25 0.00 0.00 42.46 43.02 1x5k s ILE 37 CO 0.40 -0.48 -0.12 -0.63 0.24 0.00 0.00 174.94 174.35 1x5k s ILE 38 N -1.43 2.82 -0.30 8.37 1.09 0.15 -1.43 121.20 130.47 1x5k s ILE 38 Ca -0.15 -0.70 -0.08 0.00 -1.10 0.00 0.00 60.65 58.62 1x5k s ILE 38 Cb -0.10 -2.22 0.00 0.00 -1.06 0.00 0.00 42.46 39.08 1x5k s ILE 38 CO -0.01 0.49 0.11 -0.69 -0.10 0.00 0.00 174.94 174.74 1x5k s VAL 39 N 1.06 4.25 0.34 2.92 1.01 -0.78 0.01 120.40 129.20 1x5k s VAL 39 Ca -0.00 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.46 1x5k s VAL 39 Cb -0.15 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1x5k s VAL 39 CO -0.03 0.09 0.50 0.20 0.00 0.00 0.00 175.10 175.86 1x5k s ASN 40 N 1.55 6.09 0.02 3.32 -0.87 0.05 -2.33 114.94 122.77 1x5k s ASN 40 Ca 0.04 0.09 -0.17 0.00 -1.57 0.00 0.00 52.86 51.26 1x5k s ASN 40 Cb -0.17 -1.61 0.06 0.00 -0.02 0.00 0.00 41.25 39.51 1x5k s ASN 40 CO 0.04 -0.37 0.75 -2.67 -2.57 0.00 0.00 177.10 172.29 1x5k n TRP 41 N -1.70 -0.46 -3.84 2.20 2.14 -0.72 -1.71 117.44 113.35 1x5k n TRP 41 Ca -0.03 -0.52 -0.10 0.00 2.07 0.00 0.00 57.50 58.93 1x5k n TRP 41 Cb 0.57 0.24 -0.07 0.00 -0.81 0.00 0.00 31.31 31.24 1x5k n TRP 41 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1x5k s GLN 42 N -2.01 0.80 0.60 -2.67 -0.21 0.14 -4.82 119.66 111.49 1x5k s GLN 42 Ca 0.18 -0.81 -0.17 0.00 0.02 0.00 0.00 55.36 54.57 1x5k s GLN 42 Cb -0.01 0.33 -0.03 0.00 1.00 0.00 0.00 33.01 34.30 1x5k s GLN 42 CO 0.00 -0.25 1.12 -1.25 -2.12 0.00 0.00 175.29 172.79 1x5k s PRO 43 N -3.35 3.09 0.18 2.91 0.04 -1.26 -0.85 135.00 135.75 1x5k s PRO 43 Ca 0.01 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 1x5k s PRO 43 Cb 0.02 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 1x5k s PRO 43 CO -0.08 -1.04 1.31 -1.25 0.04 0.00 0.00 177.00 175.98 1x5k s PRO 44 N -3.68 4.38 0.36 0.56 0.04 -1.26 -4.47 135.00 130.93 1x5k s PRO 44 Ca 0.70 2.04 0.16 0.00 0.04 0.00 0.00 61.00 63.94 1x5k s PRO 44 Cb -0.22 -3.21 1.07 0.00 0.04 0.00 0.00 34.50 32.18 1x5k s PRO 44 CO 0.34 -0.28 1.71 0.77 0.04 0.00 0.00 177.00 179.58 1x5k h SER 45 N 5.66 0.52 -2.58 6.66 0.02 -1.94 -3.24 113.55 118.65 1x5k h SER 45 Ca -0.44 0.14 -0.68 0.00 -0.84 0.00 0.00 61.79 59.96 1x5k h SER 45 Cb 1.21 0.07 -0.18 0.00 0.14 0.00 0.00 62.40 63.65 1x5k h SER 45 CO 0.79 -0.01 0.67 -1.61 -1.14 0.00 0.00 176.83 175.53 1x5k s GLU 46 N -5.61 3.45 -1.01 3.45 2.02 -1.26 -4.92 118.70 114.81 1x5k s GLU 46 Ca -0.10 -1.57 -0.02 0.00 0.02 0.00 0.00 54.97 53.31 1x5k s GLU 46 Cb 0.28 -4.69 0.31 0.00 0.10 0.00 0.00 34.13 30.13 1x5k s GLU 46 CO 0.80 -1.73 1.57 0.00 0.02 0.00 0.00 175.26 175.91 1x5k n ALA 47 N 6.62 5.49 -0.26 5.21 0.00 -1.23 -4.68 120.51 131.66 1x5k n ALA 47 Ca 0.15 -4.72 0.24 0.00 0.00 0.00 0.00 53.44 49.11 1x5k n ALA 47 Cb 0.48 -2.12 0.45 0.00 0.00 0.00 0.00 19.45 18.25 1x5k n ALA 47 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1x5k n ASN 48 N 0.62 0.24 0.00 0.00 3.02 -1.26 -4.55 115.26 113.33 1x5k n ASN 48 Ca 0.35 1.32 0.00 0.00 -0.03 0.00 0.00 54.58 56.22 1x5k n ASN 48 Cb 0.31 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 1x5k n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5k n GLY 49 N -1.22 5.33 3.37 7.41 0.00 -1.25 -4.74 105.19 114.08 1x5k n GLY 49 Ca 0.29 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 1x5k n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5k s LYS 50 N 4.19 3.38 -0.46 1.61 -2.85 -1.26 -5.08 119.74 119.26 1x5k s LYS 50 Ca 0.00 -0.69 -0.29 0.00 -1.00 0.00 0.00 55.97 53.99 1x5k s LYS 50 Cb 0.00 -2.63 0.03 0.00 -2.06 0.00 0.00 37.83 33.17 1x5k s LYS 50 CO 0.00 0.21 1.13 0.42 0.10 0.00 0.00 175.35 177.21 1x5k s ILE 51 N 0.36 4.23 -0.01 3.79 -1.09 -1.26 -4.05 121.20 123.17 1x5k s ILE 51 Ca -0.11 1.27 -0.08 0.00 -2.23 0.00 0.00 60.65 59.50 1x5k s ILE 51 Cb -0.16 -4.59 -0.30 0.00 -1.58 0.00 0.00 42.46 35.83 1x5k s ILE 51 CO 0.06 -0.97 0.81 0.71 -1.23 0.00 0.00 174.94 174.32 1x5k h THR 52 N 6.19 1.10 -2.23 2.92 1.35 -1.84 -3.46 112.91 116.94 1x5k h THR 52 Ca -0.23 -2.68 0.05 0.00 -0.55 0.00 0.00 66.41 63.00 1x5k h THR 52 Cb 1.06 2.81 -0.01 0.00 -1.73 0.00 0.00 68.15 70.28 1x5k h THR 52 CO 1.12 0.84 0.25 0.61 -0.25 0.00 0.00 175.52 178.08 1x5k n GLY 53 N 1.75 1.13 2.99 5.82 0.00 -1.08 -4.27 105.19 111.53 1x5k n GLY 53 Ca -0.19 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.65 1x5k n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x5k s TYR 54 N -4.51 0.37 -0.03 1.61 1.51 -1.21 -2.15 117.35 112.94 1x5k s TYR 54 Ca 0.11 -0.47 0.07 0.00 -1.01 0.00 0.00 57.07 55.77 1x5k s TYR 54 Cb -0.02 -0.24 -0.02 0.00 -0.11 0.00 0.00 41.96 41.57 1x5k s TYR 54 CO 0.04 -0.14 -0.24 0.42 -1.11 0.00 0.00 175.55 174.52 1x5k s ILE 55 N -1.28 2.20 -0.08 2.71 1.01 -0.96 -0.16 121.20 124.65 1x5k s ILE 55 Ca -0.12 -1.05 0.05 0.00 0.00 0.00 0.00 60.65 59.52 1x5k s ILE 55 Cb -0.09 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 1x5k s ILE 55 CO -0.00 0.58 -0.22 -0.63 0.00 0.00 0.00 174.94 174.66 1x5k s ILE 56 N -0.59 2.29 -0.10 2.92 1.01 -0.75 -1.49 121.20 124.49 1x5k s ILE 56 Ca 0.09 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1x5k s ILE 56 Cb -0.10 -1.87 -0.00 0.00 0.01 0.00 0.00 42.46 40.50 1x5k s ILE 56 CO -0.00 0.56 -0.23 -0.31 0.00 0.00 0.00 174.94 174.96 1x5k s TYR 57 N -0.03 2.57 -0.03 3.97 2.02 0.52 -0.95 117.35 125.41 1x5k s TYR 57 Ca -0.07 -0.97 -0.12 0.00 -0.37 0.00 0.00 57.07 55.54 1x5k s TYR 57 Cb -0.15 -1.71 0.02 0.00 -0.40 0.00 0.00 41.96 39.72 1x5k s TYR 57 CO 0.05 -0.38 0.25 1.52 -1.57 0.00 0.00 175.55 175.42 1x5k s TYR 58 N 0.27 -0.14 -0.29 2.71 -0.85 -1.24 0.08 117.35 117.89 1x5k s TYR 58 Ca -0.16 0.24 -0.18 0.00 -0.52 0.00 0.00 57.07 56.45 1x5k s TYR 58 Cb -0.17 0.05 0.18 0.00 0.38 0.00 0.00 41.96 42.40 1x5k s TYR 58 CO 0.08 -0.31 1.15 0.45 -1.52 0.00 0.00 175.55 175.40 1x5k s SER 59 N -1.06 -0.27 0.46 -0.18 0.15 -1.17 -2.95 113.70 108.68 1x5k s SER 59 Ca -0.11 0.44 0.33 0.00 0.70 0.00 0.00 55.95 57.30 1x5k s SER 59 Cb -0.05 0.97 1.45 0.00 -1.71 0.00 0.00 66.02 66.68 1x5k s SER 59 CO 0.03 -0.07 1.64 0.71 1.20 0.00 0.00 173.24 176.75 1x5k h THR 60 N 4.63 0.16 -3.31 6.45 1.35 -1.89 -3.37 112.91 116.93 1x5k h THR 60 Ca -0.27 -0.03 -0.58 0.00 -0.55 0.00 0.00 66.41 64.98 1x5k h THR 60 Cb 1.18 0.06 -0.07 0.00 -1.73 0.00 0.00 68.15 67.58 1x5k h THR 60 CO 0.20 0.02 -0.12 -0.62 -0.25 0.00 0.00 175.52 174.75 1x5k s ASP 61 N -4.52 6.74 -0.03 5.36 -1.08 -1.26 -4.82 116.67 117.06 1x5k s ASP 61 Ca -0.07 0.88 0.19 0.00 -0.52 0.00 0.00 52.55 53.02 1x5k s ASP 61 Cb 0.28 -2.30 -0.21 0.00 -1.46 0.00 0.00 42.92 39.23 1x5k s ASP 61 CO 0.83 0.03 0.54 0.55 0.52 0.00 0.00 175.17 177.63 1x5k n VAL 62 N 3.46 0.91 0.51 1.11 3.14 -1.26 -4.11 118.33 122.09 1x5k n VAL 62 Ca -0.07 -0.68 0.12 0.00 -2.96 0.00 0.00 64.34 60.75 1x5k n VAL 62 Cb 0.52 -0.45 0.22 0.00 -1.06 0.00 0.00 33.84 33.07 1x5k n VAL 62 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 1x5k h ASN 63 N 0.00 0.00 -3.56 6.55 4.21 -1.94 -3.47 115.58 117.37 1x5k h ASN 63 Ca -0.22 -0.11 -0.57 0.00 1.21 0.00 0.00 56.30 56.61 1x5k h ASN 63 Cb 1.59 0.00 0.16 0.00 -1.12 0.00 0.00 38.32 38.95 1x5k h ASN 63 CO 0.03 0.06 0.09 0.00 -1.29 0.00 0.00 177.43 176.32 1x5k n ALA 64 N -1.87 0.09 -1.82 -0.83 0.00 -1.26 -4.89 120.51 109.94 1x5k n ALA 64 Ca 0.04 -0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 1x5k n ALA 64 Cb 0.46 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.79 1x5k n ALA 64 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1x5k s GLU 65 N -2.75 4.19 0.55 0.00 8.01 -1.26 -4.81 118.70 122.62 1x5k s GLU 65 Ca 0.76 2.46 0.39 0.00 0.01 0.00 0.00 54.97 58.59 1x5k s GLU 65 Cb -0.41 -3.06 1.35 0.00 -4.31 0.00 0.00 34.13 27.69 1x5k s GLU 65 CO 0.47 -0.55 1.38 1.51 0.01 0.00 0.00 175.26 178.09 1x5k n ILE 66 N 2.35 0.00 -0.07 -1.63 0.13 -1.26 0.19 119.36 119.06 1x5k n ILE 66 Ca 0.08 1.33 -0.12 0.00 -1.10 0.00 0.00 62.75 62.94 1x5k n ILE 66 Cb 0.39 -2.28 -0.05 0.00 -0.84 0.00 0.00 39.64 36.86 1x5k n ILE 66 CO 0.00 0.00 0.00 1.12 2.80 0.00 0.00 176.55 180.47 1x5k h HIS 67 N 0.00 0.55 -0.14 9.51 2.07 -2.01 -2.84 115.15 122.29 1x5k h HIS 67 Ca 0.73 -0.14 0.04 0.00 -2.85 0.00 0.00 60.37 58.15 1x5k h HIS 67 Cb 3.29 -0.12 -0.01 0.00 2.57 0.00 0.00 27.41 33.14 1x5k h HIS 67 CO 0.00 0.77 0.19 0.22 -3.07 0.00 0.00 177.93 176.04 1x5k h ASP 68 N 0.17 0.00 -3.25 3.10 3.58 0.17 -3.41 116.42 116.78 1x5k h ASP 68 Ca 0.05 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.97 1x5k h ASP 68 Cb 0.64 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.71 1x5k h ASP 68 CO 0.04 0.00 0.66 0.26 -2.88 0.00 0.00 179.24 177.32 1x5k s TRP 69 N -4.51 3.28 0.51 0.28 0.52 -1.07 -4.98 118.94 112.97 1x5k s TRP 69 Ca -0.05 1.16 -0.22 0.00 0.02 0.00 0.00 56.10 57.01 1x5k s TRP 69 Cb 0.14 -3.60 -0.06 0.00 -1.15 0.00 0.00 33.47 28.80 1x5k s TRP 69 CO 0.50 -1.93 1.28 0.54 0.02 0.00 0.00 176.95 177.35 1x5k s VAL 70 N 0.51 2.50 -0.39 4.03 0.11 -1.15 -4.86 120.40 121.16 1x5k s VAL 70 Ca 0.59 0.38 -0.12 0.00 -2.93 0.00 0.00 61.98 59.90 1x5k s VAL 70 Cb -0.36 -3.19 0.03 0.00 -1.53 0.00 0.00 36.38 31.33 1x5k s VAL 70 CO 0.35 -0.00 0.23 -0.63 -3.33 0.00 0.00 175.10 171.72 1x5k s ILE 71 N -1.40 4.72 -0.85 7.04 1.01 -1.26 -3.72 121.20 126.73 1x5k s ILE 71 Ca 0.68 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 1x5k s ILE 71 Cb -0.35 -3.66 0.22 0.00 0.01 0.00 0.00 42.46 38.68 1x5k s ILE 71 CO 0.42 -0.28 0.75 -1.61 0.00 0.00 0.00 174.94 174.23 1x5k s GLU 72 N 1.58 3.33 0.15 2.79 0.41 -0.13 -4.96 118.70 121.87 1x5k s GLU 72 Ca 0.03 -2.93 -0.31 0.00 -0.41 0.00 0.00 54.97 51.35 1x5k s GLU 72 Cb -0.19 -4.10 -0.08 0.00 -1.78 0.00 0.00 34.13 27.98 1x5k s GLU 72 CO 0.07 -1.24 1.34 -1.25 -0.49 0.00 0.00 175.26 173.69 1x5k s PRO 73 N -0.74 4.36 -0.37 0.39 0.04 -1.26 -1.81 135.00 135.61 1x5k s PRO 73 Ca 0.24 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.23 1x5k s PRO 73 Cb -0.12 -3.23 0.04 0.00 0.04 0.00 0.00 34.50 31.24 1x5k s PRO 73 CO -0.09 -0.33 0.18 0.08 0.04 0.00 0.00 177.00 176.87 1x5k s VAL 74 N 0.62 4.22 0.79 -0.36 1.01 0.78 -5.00 120.40 122.46 1x5k s VAL 74 Ca 0.60 -1.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 1x5k s VAL 74 Cb -0.36 -3.41 0.07 0.00 0.00 0.00 0.00 36.38 32.68 1x5k s VAL 74 CO 0.34 -0.26 1.14 0.68 0.00 0.00 0.00 175.10 177.00 1x5k s VAL 75 N 1.48 2.66 0.29 2.92 -7.23 -1.26 -3.33 120.40 115.92 1x5k s VAL 75 Ca 0.01 0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 1x5k s VAL 75 Cb -0.20 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1x5k s VAL 75 CO 0.05 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 1x5k n GLY 76 N -0.25 -1.75 1.95 2.32 0.00 -1.26 -3.74 105.19 102.46 1x5k n GLY 76 Ca 0.11 -1.12 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 1x5k n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x5k n ASN 77 N -4.10 6.00 -4.75 1.61 6.94 -1.26 -4.44 115.26 115.26 1x5k n ASN 77 Ca 0.01 -2.84 -0.41 0.00 -0.02 0.00 0.00 54.58 51.32 1x5k n ASN 77 Cb 0.57 -1.18 -0.04 0.00 -2.36 0.00 0.00 39.78 36.77 1x5k n ASN 77 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1x5k s ARG 78 N -0.88 4.59 0.00 -3.83 6.06 -1.25 -4.94 118.95 118.71 1x5k s ARG 78 Ca 0.36 1.78 0.16 0.00 -2.50 0.00 0.00 55.73 55.53 1x5k s ARG 78 Cb 0.23 -3.24 0.41 0.00 0.06 0.00 0.00 34.95 32.41 1x5k s ARG 78 CO -0.05 0.10 1.33 1.28 -2.50 0.00 0.00 175.30 175.46 1x5k n LEU 79 N 1.96 3.24 -4.10 -0.88 4.77 -1.26 -4.80 117.00 115.93 1x5k n LEU 79 Ca 0.02 -1.83 -0.12 0.00 -0.03 0.00 0.00 56.01 54.05 1x5k n LEU 79 Cb 0.45 -0.29 -0.11 0.00 -2.33 0.00 0.00 43.42 41.14 1x5k n LEU 79 CO 0.54 0.78 -0.39 0.28 -1.33 0.00 0.00 177.39 177.27 1x5k s THR 80 N -1.07 0.55 0.02 -5.08 -1.32 -1.26 -1.76 115.64 105.72 1x5k s THR 80 Ca 0.33 -1.42 -0.01 0.00 -1.21 0.00 0.00 61.69 59.38 1x5k s THR 80 Cb 0.18 -1.02 -0.02 0.00 -1.51 0.00 0.00 72.50 70.13 1x5k s THR 80 CO 0.23 -0.60 0.00 -2.28 -2.21 0.00 0.00 174.62 169.77 1x5k s HIS 81 N -2.33 0.21 -0.35 9.09 2.46 -0.98 -4.97 115.29 118.43 1x5k s HIS 81 Ca -0.02 -0.44 -0.02 0.00 0.47 0.00 0.00 55.06 55.05 1x5k s HIS 81 Cb -0.04 -0.16 0.08 0.00 -0.13 0.00 0.00 32.58 32.33 1x5k s HIS 81 CO -0.02 -0.20 0.09 -0.65 -2.47 0.00 0.00 174.74 171.49 1x5k s GLN 82 N -1.41 2.17 -0.33 2.88 -0.21 -1.26 -1.87 119.66 119.63 1x5k s GLN 82 Ca -0.15 -1.54 -0.08 0.00 0.02 0.00 0.00 55.36 53.60 1x5k s GLN 82 Cb -0.09 -3.35 0.02 0.00 1.00 0.00 0.00 33.01 30.58 1x5k s GLN 82 CO -0.01 -0.83 0.13 0.42 -2.12 0.00 0.00 175.29 172.88 1x5k s ILE 83 N 1.18 4.18 0.32 1.08 1.01 -0.51 -4.93 121.20 123.53 1x5k s ILE 83 Ca 0.02 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.85 1x5k s ILE 83 Cb -0.21 -3.26 0.01 0.00 0.01 0.00 0.00 42.46 39.01 1x5k s ILE 83 CO -0.03 -0.08 0.05 0.00 0.00 0.00 0.00 174.94 174.87 1x5k n GLN 84 N 4.91 1.19 -3.23 2.79 10.64 -1.26 -1.45 117.38 130.97 1x5k n GLN 84 Ca -0.13 -2.26 -0.15 0.00 -1.83 0.00 0.00 57.00 52.63 1x5k n GLN 84 Cb 0.47 0.54 0.07 0.00 -0.86 0.00 0.00 30.24 30.46 1x5k n GLN 84 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1x5k n GLU 85 N -0.88 -5.70 -4.55 2.61 -0.58 -1.26 -4.93 120.64 105.35 1x5k n GLU 85 Ca -0.11 0.70 -0.27 0.00 -0.42 0.00 0.00 57.16 57.07 1x5k n GLU 85 Cb 0.40 -5.31 -0.10 0.00 -0.57 0.00 0.00 31.44 25.86 1x5k n GLU 85 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1x5k s LEU 86 N -5.73 2.85 0.44 -4.62 1.43 -1.26 -5.11 118.68 106.68 1x5k s LEU 86 Ca 0.08 -1.28 -0.20 0.00 -1.03 0.00 0.00 54.13 51.70 1x5k s LEU 86 Cb -0.04 -0.99 -0.10 0.00 0.03 0.00 0.00 46.19 45.09 1x5k s LEU 86 CO 0.61 -0.36 0.96 -0.89 0.23 0.00 0.00 176.35 176.89 1x5k s THR 87 N -2.66 4.36 0.34 5.49 2.01 -1.26 -4.81 115.64 119.11 1x5k s THR 87 Ca 0.35 1.43 0.06 0.00 0.31 0.00 0.00 61.69 63.84 1x5k s THR 87 Cb 0.07 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.97 1x5k s THR 87 CO 0.18 -0.36 0.48 -0.76 -0.69 0.00 0.00 174.62 173.47 1x5k s LEU 88 N -3.30 3.96 -1.65 4.42 1.43 -1.26 -4.49 118.68 117.79 1x5k s LEU 88 Ca 0.62 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.42 1x5k s LEU 88 Cb -0.10 -2.77 0.11 0.00 0.03 0.00 0.00 46.19 43.47 1x5k s LEU 88 CO 0.16 -0.45 0.52 -0.67 0.23 0.00 0.00 176.35 176.14 1x5k n ASP 89 N -1.66 -1.53 -3.81 2.29 -0.08 -1.22 -4.93 116.55 105.61 1x5k n ASP 89 Ca 0.00 -1.11 -0.13 0.00 -1.51 0.00 0.00 54.79 52.04 1x5k n ASP 89 Cb 0.58 -2.35 -0.13 0.00 2.34 0.00 0.00 41.12 41.55 1x5k n ASP 89 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1x5k s THR 90 N -3.64 -0.01 -0.06 5.18 2.01 -1.26 -4.98 115.64 112.87 1x5k s THR 90 Ca 0.46 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.22 1x5k s THR 90 Cb -0.26 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 1x5k s THR 90 CO 0.95 0.02 1.50 -2.16 -0.69 0.00 0.00 174.62 174.25 1x5k s PRO 91 N 0.39 4.22 0.02 4.92 0.04 -1.26 -3.01 135.00 140.31 1x5k s PRO 91 Ca -0.03 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.11 1x5k s PRO 91 Cb -0.04 -3.82 -0.02 0.00 0.04 0.00 0.00 34.50 30.66 1x5k s PRO 91 CO -0.02 -0.74 -0.24 0.71 0.04 0.00 0.00 177.00 176.76 1x5k s TYR 92 N 3.45 2.09 -0.17 0.56 1.51 -1.18 -4.80 117.35 118.82 1x5k s TYR 92 Ca 0.67 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 56.31 1x5k s TYR 92 Cb -0.30 -1.29 -0.01 0.00 -0.11 0.00 0.00 41.96 40.24 1x5k s TYR 92 CO 0.25 0.04 -0.10 0.71 -1.11 0.00 0.00 175.55 175.35 1x5k s TYR 93 N -0.68 2.88 0.13 2.71 1.51 -1.26 -0.56 117.35 122.08 1x5k s TYR 93 Ca 0.09 -0.81 0.09 0.00 -1.01 0.00 0.00 57.07 55.44 1x5k s TYR 93 Cb -0.09 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1x5k s TYR 93 CO 0.01 -0.37 -0.20 -0.06 -1.11 0.00 0.00 175.55 173.81 1x5k s PHE 94 N 0.85 2.48 -0.03 2.71 0.40 -0.89 -3.06 117.98 120.44 1x5k s PHE 94 Ca -0.03 -0.29 -0.01 0.00 -0.60 0.00 0.00 56.93 56.00 1x5k s PHE 94 Cb -0.15 -1.32 0.03 0.00 0.51 0.00 0.00 43.02 42.10 1x5k s PHE 94 CO 0.01 0.39 0.06 0.15 0.70 0.00 0.00 175.22 176.52 1x5k s LYS 95 N -2.18 -0.03 0.00 0.44 1.02 0.11 -1.23 119.74 117.88 1x5k s LYS 95 Ca 0.18 0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.44 1x5k s LYS 95 Cb -0.10 -0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 36.89 1x5k s LYS 95 CO 0.09 -0.20 0.01 0.42 -0.92 0.00 0.00 175.35 174.75 1x5k s ILE 96 N 1.32 4.22 0.03 2.17 1.01 -1.26 -0.36 121.20 128.33 1x5k s ILE 96 Ca -0.06 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 1x5k s ILE 96 Cb -0.13 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 1x5k s ILE 96 CO -0.04 0.36 0.06 0.00 0.00 0.00 0.00 174.94 175.33 1x5k s GLN 97 N -1.60 0.53 -0.25 2.79 -2.07 -0.56 -3.05 119.66 115.45 1x5k s GLN 97 Ca 0.20 -0.76 -0.05 0.00 -1.82 0.00 0.00 55.36 52.94 1x5k s GLN 97 Cb -0.12 0.20 0.00 0.00 -1.09 0.00 0.00 33.01 32.01 1x5k s GLN 97 CO 0.11 -0.12 0.00 0.00 -1.32 0.00 0.00 175.29 173.96 1x5k s ALA 98 N -2.47 2.90 0.11 2.60 0.00 -1.26 -2.27 121.76 121.37 1x5k s ALA 98 Ca -0.06 -1.33 0.09 0.00 0.00 0.00 0.00 51.96 50.65 1x5k s ALA 98 Cb -0.02 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1x5k s ALA 98 CO -0.04 -0.69 -0.18 -0.98 0.00 0.00 0.00 175.76 173.87 1x5k s ARG 99 N 1.46 1.80 0.30 0.00 1.70 -0.91 -2.31 118.95 120.98 1x5k s ARG 99 Ca 0.03 -1.17 0.01 0.00 -0.47 0.00 0.00 55.73 54.13 1x5k s ARG 99 Cb -0.16 -2.12 -0.00 0.00 -0.57 0.00 0.00 34.95 32.10 1x5k s ARG 99 CO -0.01 0.48 0.02 0.09 -1.08 0.00 0.00 175.30 174.80 1x5k n ASN 100 N 0.83 2.45 -0.11 -2.89 3.02 0.83 -2.62 115.26 116.78 1x5k n ASN 100 Ca -0.16 -2.35 0.19 0.00 -0.03 0.00 0.00 54.58 52.24 1x5k n ASN 100 Cb 0.53 0.31 0.61 0.00 -0.61 0.00 0.00 39.78 40.62 1x5k n ASN 100 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1x5k h SER 101 N 0.80 0.19 0.00 6.41 0.87 -1.96 -3.04 113.55 116.82 1x5k h SER 101 Ca -0.24 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1x5k h SER 101 Cb 0.77 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1x5k h SER 101 CO 0.40 0.09 0.00 0.29 -0.53 0.00 0.00 176.83 177.08 1x5k n LYS 102 N -4.41 0.00 -0.07 2.24 4.76 -1.26 -5.06 118.16 114.35 1x5k n LYS 102 Ca 0.14 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1x5k n LYS 102 Cb 0.63 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.69 1x5k n LYS 102 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x5k n GLY 103 N 1.06 3.11 3.84 0.72 0.00 -1.15 -5.05 105.19 107.72 1x5k n GLY 103 Ca 0.00 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 1x5k n GLY 103 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x5k s MET 104 N 0.80 3.02 0.00 1.61 -1.94 -1.26 -0.12 119.30 121.41 1x5k s MET 104 Ca 0.00 -0.86 0.00 0.00 -1.71 0.00 0.00 55.69 53.12 1x5k s MET 104 Cb 0.00 -2.69 0.00 0.00 2.01 0.00 0.00 34.83 34.15 1x5k s MET 104 CO 0.00 0.47 0.00 0.41 -0.01 0.00 0.00 175.02 175.89 1x5k n GLY 105 N -0.63 2.58 3.74 -0.03 0.00 -0.98 -4.84 105.19 105.03 1x5k n GLY 105 Ca -0.08 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.63 1x5k n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5k s PRO 106 N 2.95 1.77 0.03 1.61 0.04 -1.25 -4.85 135.00 135.29 1x5k s PRO 106 Ca 0.00 1.00 0.02 0.00 0.04 0.00 0.00 61.00 62.06 1x5k s PRO 106 Cb 0.00 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1x5k s PRO 106 CO 0.00 -1.93 0.00 -1.64 0.04 0.00 0.00 177.00 173.47 1x5k s MET 107 N -4.92 2.72 0.98 4.56 -1.94 -1.26 -4.46 119.30 114.97 1x5k s MET 107 Ca 0.62 -0.68 -0.16 0.00 -1.71 0.00 0.00 55.69 53.76 1x5k s MET 107 Cb -0.17 -2.63 0.20 0.00 2.01 0.00 0.00 34.83 34.23 1x5k s MET 107 CO 0.56 0.60 1.26 -1.54 -0.01 0.00 0.00 175.02 175.89 1x5k s SER 108 N -1.78 2.96 0.55 3.03 1.04 -1.17 -5.00 113.70 113.33 1x5k s SER 108 Ca 0.21 0.43 -0.18 0.00 0.48 0.00 0.00 55.95 56.90 1x5k s SER 108 Cb -0.12 -0.60 -0.05 0.00 0.10 0.00 0.00 66.02 65.35 1x5k s SER 108 CO 0.13 -2.84 1.07 -1.83 0.98 0.00 0.00 173.24 170.74 1x5k s GLU 109 N -5.74 3.44 -0.30 4.02 -1.05 -1.26 -4.81 118.70 113.01 1x5k s GLU 109 Ca 0.71 1.35 -0.28 0.00 -0.15 0.00 0.00 54.97 56.60 1x5k s GLU 109 Cb -0.06 -2.04 -0.04 0.00 -0.44 0.00 0.00 34.13 31.54 1x5k s GLU 109 CO 0.53 -0.73 2.10 0.00 0.95 0.00 0.00 175.26 178.11 1x5k s ALA 110 N -2.16 2.63 -0.69 -0.84 0.00 -1.26 -4.72 121.76 114.72 1x5k s ALA 110 Ca 0.67 0.49 -0.26 0.00 0.00 0.00 0.00 51.96 52.86 1x5k s ALA 110 Cb -0.18 -4.10 0.04 0.00 0.00 0.00 0.00 23.12 18.89 1x5k s ALA 110 CO 0.30 -2.97 1.17 0.08 0.00 0.00 0.00 175.76 174.33 1x5k s VAL 111 N 8.34 3.95 -0.67 0.00 1.01 -0.37 -4.82 120.40 127.84 1x5k s VAL 111 Ca 0.93 0.26 -0.27 0.00 0.00 0.00 0.00 61.98 62.89 1x5k s VAL 111 Cb -0.27 -4.81 0.01 0.00 0.00 0.00 0.00 36.38 31.31 1x5k s VAL 111 CO 0.33 -1.65 1.46 -1.58 0.00 0.00 0.00 175.10 173.66 1x5k s GLN 112 N 5.10 3.06 -0.27 2.72 0.74 -1.26 -2.10 119.66 127.65 1x5k s GLN 112 Ca 0.32 0.11 -0.02 0.00 0.05 0.00 0.00 55.36 55.82 1x5k s GLN 112 Cb -0.11 -4.23 0.03 0.00 1.10 0.00 0.00 33.01 29.81 1x5k s GLN 112 CO 0.15 -2.27 -0.03 0.12 -0.55 0.00 0.00 175.29 172.71 1x5k s PHE 113 N 6.70 3.12 -0.18 1.67 5.36 0.28 -4.92 117.98 130.01 1x5k s PHE 113 Ca 0.47 -1.56 -0.29 0.00 -0.96 0.00 0.00 56.93 54.58 1x5k s PHE 113 Cb -0.10 -2.09 -0.02 0.00 -0.34 0.00 0.00 43.02 40.47 1x5k s PHE 113 CO 0.18 -0.73 1.45 0.50 -1.46 0.00 0.00 175.22 175.16 1x5k s ARG 114 N 1.33 4.05 0.54 10.12 3.52 -1.26 -3.08 118.95 134.17 1x5k s ARG 114 Ca -0.01 1.70 -0.21 0.00 -0.13 0.00 0.00 55.73 57.08 1x5k s ARG 114 Cb -0.17 -3.90 -0.07 0.00 -1.56 0.00 0.00 34.95 29.24 1x5k s ARG 114 CO -0.03 -0.97 1.03 0.25 -0.81 0.00 0.00 175.30 174.77 1x5k n THR 115 N 5.82 3.27 -0.18 4.11 -2.24 -1.16 -4.96 114.28 118.92 1x5k n THR 115 Ca 0.16 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1x5k n THR 115 Cb 0.45 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 1x5k n THR 115 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1x5k n PRO 116 N -0.61 0.24 -4.00 -0.78 -0.04 -1.26 -3.75 135.00 124.79 1x5k n PRO 116 Ca 0.12 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 1x5k n PRO 116 Cb 0.44 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.80 1x5k n PRO 116 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1x5k s LYS 117 N -1.13 0.53 -0.39 0.54 -0.14 -1.26 -3.40 119.74 114.50 1x5k s LYS 117 Ca 0.00 -0.89 -0.29 0.00 -1.36 0.00 0.00 55.97 53.43 1x5k s LYS 117 Cb 0.00 0.19 0.01 0.00 -1.68 0.00 0.00 37.83 36.35 1x5k s LYS 117 CO 0.00 -0.11 1.41 0.00 -0.76 0.00 0.00 175.35 175.89 1x5k s ALA 118 N -2.83 3.09 0.44 5.17 0.00 -1.26 -4.86 121.76 121.51 1x5k s ALA 118 Ca -0.03 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 51.86 1x5k s ALA 118 Cb 0.00 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 1x5k s ALA 118 CO -0.06 -2.31 0.04 -1.12 0.00 0.00 0.00 175.76 172.31 1x5k s SER 119 N 3.86 3.54 0.01 0.00 0.01 -1.26 -5.12 113.70 114.74 1x5k s SER 119 Ca 0.61 -1.56 -0.28 0.00 1.31 0.00 0.00 55.95 56.04 1x5k s SER 119 Cb -0.15 0.24 -0.04 0.00 0.21 0.00 0.00 66.02 66.29 1x5k s SER 119 CO 0.31 -0.75 0.87 -0.83 0.41 0.00 0.00 173.24 173.25 1x5k s GLY 120 N -3.73 2.84 -0.56 3.44 0.00 -1.26 -4.98 107.32 103.06 1x5k s GLY 120 Ca 0.20 0.41 -0.27 0.00 0.00 0.00 0.00 44.72 45.06 1x5k s GLY 120 CO 0.10 1.43 1.84 2.56 0.00 0.00 0.00 173.10 179.03 1x5k s PRO 121 N 0.61 2.76 0.40 2.90 0.04 -1.26 -4.98 135.00 135.48 1x5k s PRO 121 Ca 0.45 0.74 0.08 0.00 0.04 0.00 0.00 61.00 62.31 1x5k s PRO 121 Cb -0.20 -4.35 0.01 0.00 0.04 0.00 0.00 34.50 29.99 1x5k s PRO 121 CO 0.25 -2.57 0.55 -1.54 0.04 0.00 0.00 177.00 173.73 1x5k s SER 122 N 7.67 5.73 -0.34 6.66 1.04 -1.26 -5.03 113.70 128.17 1x5k s SER 122 Ca 0.69 -0.37 -0.29 0.00 0.48 0.00 0.00 55.95 56.46 1x5k s SER 122 Cb -0.14 -0.78 -0.01 0.00 0.10 0.00 0.00 66.02 65.18 1x5k s SER 122 CO 0.23 -0.69 1.70 -0.55 0.98 0.00 0.00 173.24 174.91 1x5k s SER 123 N -4.31 6.03 0.00 7.02 0.15 -1.26 -5.25 113.70 116.08 1x5k s SER 123 Ca 0.53 1.23 0.00 0.00 0.70 0.00 0.00 55.95 58.41 1x5k s SER 123 Cb -0.10 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1x5k s SER 123 CO 0.33 -1.61 0.00 0.61 1.20 0.00 0.00 173.24 173.77