#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 -0.90 -0.28 1.61 0.15 -1.26 -5.16 113.70 107.86 1x5k s SER 2 Ca 0.00 0.45 -0.16 0.00 0.70 0.00 0.00 55.95 56.94 1x5k s SER 2 Cb 0.00 1.71 0.10 0.00 -1.71 0.00 0.00 66.02 66.12 1x5k s SER 2 CO 0.00 -0.17 0.77 -0.55 1.20 0.00 0.00 173.24 174.49 1x5k s SER 3 N 2.91 -0.84 0.00 5.45 0.15 -1.26 -5.17 113.70 114.94 1x5k s SER 3 Ca 0.11 1.33 0.00 0.00 0.70 0.00 0.00 55.95 58.09 1x5k s SER 3 Cb -0.11 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.60 1x5k s SER 3 CO -0.17 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1x5k n GLY 4 N 4.23 0.99 3.58 9.45 0.00 -1.26 -5.19 105.19 116.99 1x5k n GLY 4 Ca -0.19 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.09 1x5k n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5k s SER 5 N 0.00 -0.22 0.15 1.61 0.15 -1.26 -5.18 113.70 108.96 1x5k s SER 5 Ca 0.00 -0.05 0.04 0.00 0.70 0.00 0.00 55.95 56.64 1x5k s SER 5 Cb 0.00 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.54 1x5k s SER 5 CO 0.00 -0.45 0.16 -0.44 1.20 0.00 0.00 173.24 173.70 1x5k s SER 6 N -2.45 5.67 -0.30 5.45 0.01 -1.26 -5.11 113.70 115.70 1x5k s SER 6 Ca 0.08 -0.07 -0.18 0.00 1.31 0.00 0.00 55.95 57.10 1x5k s SER 6 Cb -0.00 -1.53 0.21 0.00 0.21 0.00 0.00 66.02 64.90 1x5k s SER 6 CO -0.06 0.07 1.30 -0.83 0.41 0.00 0.00 173.24 174.14 1x5k s GLY 7 N -3.07 0.49 0.28 3.44 0.00 -1.26 -5.14 107.32 102.06 1x5k s GLY 7 Ca 0.31 3.81 -0.29 0.00 0.00 0.00 0.00 44.72 48.55 1x5k s GLY 7 CO 0.24 3.13 1.15 -1.30 0.00 0.00 0.00 173.10 176.33 1x5k n THR 8 N 3.86 1.67 -3.57 0.90 -2.24 -1.26 -4.98 114.28 108.66 1x5k n THR 8 Ca -0.11 -0.42 -0.09 0.00 -2.27 0.00 0.00 64.05 61.16 1x5k n THR 8 Cb 0.56 -1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 67.60 1x5k n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5k s ALA 9 N -0.78 -1.58 -0.30 6.98 0.00 -1.26 -5.14 121.76 119.68 1x5k s ALA 9 Ca 0.62 0.39 -0.18 0.00 0.00 0.00 0.00 51.96 52.79 1x5k s ALA 9 Cb -0.69 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 1x5k s ALA 9 CO 0.58 -0.84 0.54 -3.38 0.00 0.00 0.00 175.76 172.65 1x5k s HIS 10 N -3.59 3.22 -0.03 0.00 0.00 -1.26 -5.05 115.29 108.59 1x5k s HIS 10 Ca 0.05 0.46 0.00 0.00 -3.00 0.00 0.00 55.06 52.57 1x5k s HIS 10 Cb -0.02 -2.86 0.03 0.00 -4.00 0.00 0.00 32.58 25.73 1x5k s HIS 10 CO -0.06 -0.42 0.00 0.20 -1.00 0.00 0.00 174.74 173.46 1x5k s GLY 11 N 1.65 0.24 -0.54 -1.38 0.00 -1.26 -5.03 107.32 101.00 1x5k s GLY 11 Ca 0.21 0.16 -0.07 0.00 0.00 0.00 0.00 44.72 45.03 1x5k s GLY 11 CO 0.11 0.65 3.16 2.41 0.00 0.00 0.00 173.10 179.44 1x5k n THR 12 N 4.22 3.18 -3.55 0.90 -1.04 -1.26 -4.86 114.28 111.87 1x5k n THR 12 Ca -0.25 -1.72 -0.40 0.00 -2.04 0.00 0.00 64.05 59.64 1x5k n THR 12 Cb 0.50 -2.16 -0.11 0.00 -1.82 0.00 0.00 70.33 66.75 1x5k n THR 12 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1x5k s THR 13 N 1.62 5.26 -0.16 12.58 2.01 -1.26 -5.04 115.64 130.65 1x5k s THR 13 Ca 0.62 -0.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.22 1x5k s THR 13 Cb 0.25 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1x5k s THR 13 CO -0.02 0.07 1.66 0.72 -0.69 0.00 0.00 174.62 176.36 1x5k s PHE 14 N 1.73 2.00 0.94 4.92 -0.12 -1.26 -4.98 117.98 121.21 1x5k s PHE 14 Ca 0.06 0.41 -0.14 0.00 -0.05 0.00 0.00 56.93 57.21 1x5k s PHE 14 Cb -0.17 -3.95 0.22 0.00 -0.63 0.00 0.00 43.02 38.49 1x5k s PHE 14 CO 0.10 -3.35 0.50 -1.91 -0.05 0.00 0.00 175.22 170.51 1x5k n GLU 15 N 7.52 -2.76 -3.67 1.99 2.13 -1.26 -5.03 120.64 119.55 1x5k n GLU 15 Ca 0.19 -0.84 -0.23 0.00 0.66 0.00 0.00 57.16 56.93 1x5k n GLU 15 Cb 0.44 -1.27 -0.17 0.00 0.27 0.00 0.00 31.44 30.70 1x5k n GLU 15 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1x5k s LEU 16 N 0.00 0.41 0.70 4.31 1.43 -1.26 -5.08 118.68 119.18 1x5k s LEU 16 Ca 0.39 -0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 53.03 1x5k s LEU 16 Cb -0.07 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 1x5k s LEU 16 CO 0.32 -0.28 0.63 1.33 0.23 0.00 0.00 176.35 178.58 1x5k n VAL 17 N 5.24 2.11 -2.05 -1.59 0.24 -1.26 -4.04 118.33 116.98 1x5k n VAL 17 Ca -0.06 -0.41 -0.39 0.00 -2.04 0.00 0.00 64.34 61.44 1x5k n VAL 17 Cb 0.49 -0.81 -0.03 0.00 -1.47 0.00 0.00 33.84 32.02 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 -2.78 2.69 -0.10 7.34 0.04 -1.26 -4.84 135.00 136.08 1x5k s PRO 18 Ca 0.68 0.66 0.02 0.00 0.04 0.00 0.00 61.00 62.40 1x5k s PRO 18 Cb -0.36 -4.37 0.20 0.00 0.04 0.00 0.00 34.50 30.00 1x5k s PRO 18 CO 0.56 -2.66 1.12 -2.37 0.04 0.00 0.00 177.00 173.69 1x5k n THR 19 N 7.22 1.33 -4.09 1.26 5.66 -1.26 -3.98 114.28 120.42 1x5k n THR 19 Ca 0.20 -0.48 -0.17 0.00 -3.05 0.00 0.00 64.05 60.56 1x5k n THR 19 Cb 0.52 -0.72 -0.15 0.00 -1.55 0.00 0.00 70.33 68.42 1x5k n THR 19 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1x5k s SER 20 N 0.18 0.60 0.85 1.09 0.01 -1.26 -4.82 113.70 110.36 1x5k s SER 20 Ca 0.15 -0.08 -0.11 0.00 1.31 0.00 0.00 55.95 57.22 1x5k s SER 20 Cb 0.13 -0.20 0.10 0.00 0.21 0.00 0.00 66.02 66.26 1x5k s SER 20 CO 0.03 -0.01 1.09 -2.16 0.41 0.00 0.00 173.24 172.60 1x5k s PRO 21 N 0.45 1.61 1.12 12.44 0.04 -1.26 -4.69 135.00 144.71 1x5k s PRO 21 Ca -0.05 0.94 -0.16 0.00 0.04 0.00 0.00 61.00 61.77 1x5k s PRO 21 Cb -0.08 -1.84 0.25 0.00 0.04 0.00 0.00 34.50 32.86 1x5k s PRO 21 CO -0.00 -2.03 1.10 -1.25 0.04 0.00 0.00 177.00 174.85 1x5k s PRO 22 N -4.92 -0.56 0.34 0.56 0.04 -1.26 -4.32 135.00 124.87 1x5k s PRO 22 Ca 0.63 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1x5k s PRO 22 Cb -0.18 -1.65 -0.00 0.00 0.04 0.00 0.00 34.50 32.71 1x5k s PRO 22 CO 0.57 -3.32 0.01 1.63 0.04 0.00 0.00 177.00 175.92 1x5k n LYS 23 N -4.53 1.13 -4.22 4.56 5.02 0.12 -4.82 118.16 115.42 1x5k n LYS 23 Ca 0.10 -2.51 -0.37 0.00 -2.02 0.00 0.00 58.31 53.50 1x5k n LYS 23 Cb 0.59 0.71 -0.05 0.00 -0.02 0.00 0.00 35.03 36.26 1x5k n LYS 23 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1x5k n ASP 24 N -1.24 -1.05 -4.54 4.39 9.92 -1.26 0.02 116.55 122.78 1x5k n ASP 24 Ca -0.14 -1.28 -0.43 0.00 -0.53 0.00 0.00 54.79 52.41 1x5k n ASP 24 Cb 0.44 -1.57 -0.05 0.00 -0.64 0.00 0.00 41.12 39.30 1x5k n ASP 24 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1x5k s VAL 25 N -4.04 4.60 0.04 2.53 1.01 -1.26 -3.44 120.40 119.84 1x5k s VAL 25 Ca 0.20 0.47 0.06 0.00 0.00 0.00 0.00 61.98 62.70 1x5k s VAL 25 Cb -0.11 -4.36 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 1x5k s VAL 25 CO 0.98 -0.76 -0.16 0.42 0.00 0.00 0.00 175.10 175.58 1x5k s THR 26 N 3.41 1.28 -0.22 3.92 -4.23 -0.66 -5.01 115.64 114.13 1x5k s THR 26 Ca 0.31 -1.05 -0.01 0.00 -1.18 0.00 0.00 61.69 59.76 1x5k s THR 26 Cb -0.12 -1.14 0.06 0.00 1.34 0.00 0.00 72.50 72.64 1x5k s THR 26 CO 0.23 0.07 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.69 1x5k s VAL 27 N -0.83 1.04 0.36 2.29 1.01 -1.26 -1.17 120.40 121.85 1x5k s VAL 27 Ca 0.03 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.16 1x5k s VAL 27 Cb -0.08 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.80 1x5k s VAL 27 CO 0.01 -0.18 0.05 0.68 0.00 0.00 0.00 175.10 175.66 1x5k s VAL 28 N 1.61 2.49 0.17 2.92 -7.23 -0.32 -4.99 120.40 115.06 1x5k s VAL 28 Ca -0.03 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.28 1x5k s VAL 28 Cb -0.18 -2.87 -0.04 0.00 0.56 0.00 0.00 36.38 33.85 1x5k s VAL 28 CO -0.08 -0.13 0.21 -0.94 -0.31 0.00 0.00 175.10 173.85 1x5k s SER 29 N -3.76 5.84 0.10 4.85 1.04 -1.26 -0.56 113.70 119.94 1x5k s SER 29 Ca 0.36 -0.03 -0.14 0.00 0.48 0.00 0.00 55.95 56.62 1x5k s SER 29 Cb 0.02 -1.62 -0.06 0.00 0.10 0.00 0.00 66.02 64.46 1x5k s SER 29 CO 0.20 0.04 0.49 -0.75 0.98 0.00 0.00 173.24 174.20 1x5k s LYS 30 N -3.29 3.94 -0.02 4.02 2.20 -0.02 -4.79 119.74 121.78 1x5k s LYS 30 Ca 0.32 0.42 -0.05 0.00 -0.36 0.00 0.00 55.97 56.31 1x5k s LYS 30 Cb -0.10 -3.03 -0.03 0.00 -1.51 0.00 0.00 37.83 33.16 1x5k s LYS 30 CO 0.26 0.56 0.40 1.49 -0.36 0.00 0.00 175.35 177.69 1x5k h GLU 31 N 3.91 -0.18 -1.08 4.03 4.81 -1.95 -3.30 114.58 120.82 1x5k h GLU 31 Ca -0.49 0.01 0.41 0.00 -0.13 0.00 0.00 59.36 59.15 1x5k h GLU 31 Cb 1.20 0.04 -0.14 0.00 0.63 0.00 0.00 28.75 30.48 1x5k h GLU 31 CO 0.65 -0.12 0.65 0.41 -0.73 0.00 0.00 179.01 179.87 1x5k n GLY 32 N 0.87 -0.72 2.94 1.92 0.00 -1.26 -4.22 105.19 104.72 1x5k n GLY 32 Ca -0.02 0.71 -0.13 0.00 0.00 0.00 0.00 46.02 46.57 1x5k n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5k s LYS 33 N -5.22 0.10 -0.02 1.61 2.36 -1.24 -5.06 119.74 112.27 1x5k s LYS 33 Ca -0.07 0.29 -0.25 0.00 -2.55 0.00 0.00 55.97 53.39 1x5k s LYS 33 Cb 0.29 -0.10 -0.19 0.00 -1.05 0.00 0.00 37.83 36.78 1x5k s LYS 33 CO 0.72 -0.11 1.22 -1.00 1.55 0.00 0.00 175.35 177.72 1x5k h PRO 34 N 6.79 -0.07 -0.89 4.03 0.13 -1.73 -3.19 132.00 137.07 1x5k h PRO 34 Ca -0.37 0.01 0.18 0.00 -0.87 0.00 0.00 66.00 64.94 1x5k h PRO 34 Cb 1.16 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 1x5k h PRO 34 CO 0.43 0.39 0.58 0.87 -0.23 0.00 0.00 178.00 180.03 1x5k h LYS 35 N -0.56 0.51 -6.53 0.86 1.57 -1.89 -3.41 116.57 107.12 1x5k h LYS 35 Ca -0.01 -0.03 -0.53 0.00 -1.87 0.00 0.00 60.65 58.21 1x5k h LYS 35 Cb 0.49 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.70 1x5k h LYS 35 CO 0.01 0.33 0.58 0.99 -0.57 0.00 0.00 179.45 180.80 1x5k s THR 36 N -5.53 3.85 0.05 -0.16 2.01 -1.20 -4.13 115.64 110.52 1x5k s THR 36 Ca -0.09 1.36 0.01 0.00 0.31 0.00 0.00 61.69 63.29 1x5k s THR 36 Cb 0.22 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1x5k s THR 36 CO 0.78 0.13 -0.06 0.27 -0.69 0.00 0.00 174.62 175.05 1x5k s ILE 37 N 0.85 0.46 -0.10 1.82 -4.36 -0.59 -0.84 121.20 118.44 1x5k s ILE 37 Ca 0.58 -1.34 0.01 0.00 -0.26 0.00 0.00 60.65 59.63 1x5k s ILE 37 Cb -0.31 -0.92 -0.02 0.00 1.25 0.00 0.00 42.46 42.46 1x5k s ILE 37 CO 0.31 -0.60 -0.11 -0.63 0.24 0.00 0.00 174.94 174.15 1x5k s ILE 38 N -2.25 3.27 -0.26 8.37 1.09 0.28 -2.07 121.20 129.63 1x5k s ILE 38 Ca -0.04 -0.61 0.02 0.00 -1.10 0.00 0.00 60.65 58.93 1x5k s ILE 38 Cb -0.04 -2.35 0.06 0.00 -1.06 0.00 0.00 42.46 39.07 1x5k s ILE 38 CO -0.02 0.55 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.60 1x5k s VAL 39 N -0.13 1.96 0.18 2.92 1.01 -0.88 -1.18 120.40 124.29 1x5k s VAL 39 Ca -0.00 -1.57 0.03 0.00 0.00 0.00 0.00 61.98 60.44 1x5k s VAL 39 Cb -0.13 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1x5k s VAL 39 CO 0.03 -0.11 0.32 0.20 0.00 0.00 0.00 175.10 175.54 1x5k s ASN 40 N 1.18 6.34 0.25 3.32 0.01 -0.31 -2.54 114.94 123.19 1x5k s ASN 40 Ca -0.06 0.17 -0.20 0.00 -0.71 0.00 0.00 52.86 52.05 1x5k s ASN 40 Cb -0.20 -1.91 0.07 0.00 0.41 0.00 0.00 41.25 39.63 1x5k s ASN 40 CO -0.06 0.01 0.97 -1.66 -1.51 0.00 0.00 177.10 174.84 1x5k s TRP 41 N -1.82 0.09 0.03 2.20 -2.14 -0.62 -1.65 118.94 115.03 1x5k s TRP 41 Ca 0.35 -0.57 -0.03 0.00 2.66 0.00 0.00 56.10 58.50 1x5k s TRP 41 Cb -0.10 0.74 -0.02 0.00 -3.10 0.00 0.00 33.47 30.99 1x5k s TRP 41 CO 0.29 -1.12 0.04 -0.65 -2.66 0.00 0.00 176.95 172.84 1x5k s GLN 42 N -2.19 0.49 0.48 3.25 -1.52 0.10 -4.76 119.66 115.52 1x5k s GLN 42 Ca 0.20 -0.75 -0.22 0.00 -1.95 0.00 0.00 55.36 52.64 1x5k s GLN 42 Cb -0.03 0.18 -0.07 0.00 -0.22 0.00 0.00 33.01 32.87 1x5k s GLN 42 CO 0.07 -0.11 1.15 -1.25 -0.25 0.00 0.00 175.29 174.91 1x5k s PRO 43 N -2.33 3.64 0.16 2.91 0.04 -1.26 0.12 135.00 138.27 1x5k s PRO 43 Ca -0.08 1.72 -0.31 0.00 0.04 0.00 0.00 61.00 62.38 1x5k s PRO 43 Cb -0.03 -2.28 -0.08 0.00 0.04 0.00 0.00 34.50 32.14 1x5k s PRO 43 CO -0.04 -0.64 1.33 -1.25 0.04 0.00 0.00 177.00 176.45 1x5k s PRO 44 N -2.88 4.37 0.52 0.56 0.04 -1.26 -4.48 135.00 131.86 1x5k s PRO 44 Ca 0.66 2.04 0.33 0.00 0.04 0.00 0.00 61.00 64.07 1x5k s PRO 44 Cb -0.27 -3.22 1.46 0.00 0.04 0.00 0.00 34.50 32.51 1x5k s PRO 44 CO 0.32 -0.32 1.81 0.77 0.04 0.00 0.00 177.00 179.62 1x5k h SER 45 N 5.99 0.08 -1.09 6.66 0.02 -1.94 -3.05 113.55 120.22 1x5k h SER 45 Ca -0.44 0.02 -0.73 0.00 -0.84 0.00 0.00 61.79 59.80 1x5k h SER 45 Cb 1.21 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.64 1x5k h SER 45 CO 0.81 0.01 2.22 -0.62 -1.14 0.00 0.00 176.83 178.11 1x5k n GLU 46 N -4.28 3.31 -1.65 3.45 1.02 -1.26 -4.85 120.64 116.39 1x5k n GLU 46 Ca 0.25 -3.31 -0.38 0.00 -0.02 0.00 0.00 57.16 53.70 1x5k n GLU 46 Cb 1.14 -3.12 -0.02 0.00 -0.02 0.00 0.00 31.44 29.42 1x5k n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x5k n ALA 47 N 5.40 7.08 -0.45 0.62 0.00 -1.16 -4.75 120.51 127.26 1x5k n ALA 47 Ca 0.44 -3.71 0.35 0.00 0.00 0.00 0.00 53.44 50.52 1x5k n ALA 47 Cb 0.39 -2.96 0.56 0.00 0.00 0.00 0.00 19.45 17.45 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 2.44 0.07 -4.01 0.00 3.02 -1.26 -4.43 115.26 111.09 1x5k n ASN 48 Ca 0.67 0.86 -0.13 0.00 -0.03 0.00 0.00 54.58 55.95 1x5k n ASN 48 Cb 0.29 -0.43 -0.09 0.00 -0.61 0.00 0.00 39.78 38.94 1x5k n ASN 48 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1x5k s GLY 49 N -3.76 1.54 0.14 7.41 0.00 -1.26 -4.60 107.32 106.79 1x5k s GLY 49 Ca -0.04 -1.71 -0.30 0.00 0.00 0.00 0.00 44.72 42.67 1x5k s GLY 49 CO 0.64 -1.35 1.24 1.25 0.00 0.00 0.00 173.10 174.88 1x5k s LYS 50 N -3.99 4.44 0.23 2.90 2.20 -1.26 -4.98 119.74 119.28 1x5k s LYS 50 Ca 0.38 1.89 -0.28 0.00 -0.36 0.00 0.00 55.97 57.60 1x5k s LYS 50 Cb 0.05 -3.27 -0.09 0.00 -1.51 0.00 0.00 37.83 33.02 1x5k s LYS 50 CO 0.15 -0.21 0.90 0.42 -0.36 0.00 0.00 175.35 176.24 1x5k s ILE 51 N 0.50 4.17 -0.02 5.43 -1.09 -1.26 -3.68 121.20 125.25 1x5k s ILE 51 Ca 0.57 1.95 0.01 0.00 -2.23 0.00 0.00 60.65 60.95 1x5k s ILE 51 Cb -0.33 -4.24 -0.01 0.00 -1.58 0.00 0.00 42.46 36.30 1x5k s ILE 51 CO 0.33 0.46 0.02 0.35 -1.23 0.00 0.00 174.94 174.88 1x5k n THR 52 N 1.41 0.00 0.00 2.92 -2.24 -0.70 -4.96 114.28 110.70 1x5k n THR 52 Ca -0.03 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1x5k n THR 52 Cb 0.48 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1x5k n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5k n GLY 53 N 1.68 0.22 3.24 3.38 0.00 -1.16 -4.76 105.19 107.79 1x5k n GLY 53 Ca 0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 1.28 -0.03 1.61 1.51 -1.25 -1.75 117.35 116.71 1x5k s TYR 54 Ca 0.00 -0.70 0.01 0.00 -1.01 0.00 0.00 57.07 55.37 1x5k s TYR 54 Cb 0.00 -0.66 0.02 0.00 -0.11 0.00 0.00 41.96 41.21 1x5k s TYR 54 CO 0.00 0.10 -0.03 0.42 -1.11 0.00 0.00 175.55 174.92 1x5k s ILE 55 N -2.99 0.42 -0.07 2.71 1.01 -0.84 -1.27 121.20 120.16 1x5k s ILE 55 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1x5k s ILE 55 Cb 0.00 -0.45 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 1x5k s ILE 55 CO 0.01 0.19 -0.06 -0.63 0.00 0.00 0.00 174.94 174.46 1x5k s ILE 56 N 0.81 3.82 -0.18 2.92 1.01 -0.57 -2.88 121.20 126.13 1x5k s ILE 56 Ca -0.10 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.12 1x5k s ILE 56 Cb -0.13 -2.57 0.04 0.00 0.01 0.00 0.00 42.46 39.81 1x5k s ILE 56 CO -0.00 0.60 -0.08 -0.31 0.00 0.00 0.00 174.94 175.14 1x5k s TYR 57 N -0.83 2.13 0.07 3.97 1.51 -0.57 -0.70 117.35 122.93 1x5k s TYR 57 Ca 0.13 -1.38 0.07 0.00 -1.01 0.00 0.00 57.07 54.88 1x5k s TYR 57 Cb -0.11 -1.51 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 1x5k s TYR 57 CO 0.02 -0.69 -0.20 1.52 -1.11 0.00 0.00 175.55 175.09 1x5k s TYR 58 N 1.49 1.73 -0.14 2.71 -0.85 -1.25 -1.06 117.35 119.98 1x5k s TYR 58 Ca -0.00 -0.39 -0.30 0.00 -0.52 0.00 0.00 57.07 55.85 1x5k s TYR 58 Cb -0.16 -1.00 0.13 0.00 0.38 0.00 0.00 41.96 41.32 1x5k s TYR 58 CO -0.08 0.13 1.02 -1.12 -1.52 0.00 0.00 175.55 173.98 1x5k s SER 59 N -1.47 -0.32 0.19 -0.18 0.01 -1.02 -3.23 113.70 107.68 1x5k s SER 59 Ca 0.06 0.26 -0.09 0.00 1.31 0.00 0.00 55.95 57.50 1x5k s SER 59 Cb -0.09 0.28 0.10 0.00 0.21 0.00 0.00 66.02 66.52 1x5k s SER 59 CO 0.03 -0.36 1.70 0.71 0.41 0.00 0.00 173.24 175.72 1x5k h THR 60 N 2.37 1.26 -3.64 1.44 1.35 -1.89 -3.16 112.91 110.64 1x5k h THR 60 Ca -0.17 -1.00 -0.51 0.00 -0.55 0.00 0.00 66.41 64.18 1x5k h THR 60 Cb 1.18 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.18 1x5k h THR 60 CO 0.30 0.38 0.34 1.51 -0.25 0.00 0.00 175.52 177.80 1x5k s ASP 61 N -6.45 7.55 0.00 5.36 1.47 -1.26 -4.74 116.67 118.60 1x5k s ASP 61 Ca -0.12 1.84 0.23 0.00 1.18 0.00 0.00 52.55 55.68 1x5k s ASP 61 Cb 0.14 -2.59 0.24 0.00 -0.34 0.00 0.00 42.92 40.38 1x5k s ASP 61 CO 0.85 0.04 1.27 0.55 0.68 0.00 0.00 175.17 178.56 1x5k n VAL 62 N 2.20 0.14 -0.01 2.11 3.14 -1.26 -4.28 118.33 120.36 1x5k n VAL 62 Ca 0.00 -0.57 0.00 0.00 -2.96 0.00 0.00 64.34 60.82 1x5k n VAL 62 Cb 0.48 1.34 -0.03 0.00 -1.06 0.00 0.00 33.84 34.58 1x5k n VAL 62 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1x5k n ASN 63 N 1.33 4.05 -4.51 6.55 0.23 -1.26 -5.04 115.26 116.62 1x5k n ASN 63 Ca 0.15 0.00 -0.46 0.00 -0.53 0.00 0.00 54.58 53.74 1x5k n ASN 63 Cb 0.58 0.94 -0.02 0.00 -2.08 0.00 0.00 39.78 39.20 1x5k n ASN 63 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x5k n ALA 64 N -1.85 -1.39 -1.59 -2.53 0.00 -1.26 -4.76 120.51 107.13 1x5k n ALA 64 Ca -0.03 0.41 -0.52 0.00 0.00 0.00 0.00 53.44 53.30 1x5k n ALA 64 Cb 0.32 -1.84 -0.06 0.00 0.00 0.00 0.00 19.45 17.87 1x5k n ALA 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x5k n GLU 65 N 0.85 1.09 -0.30 0.00 4.71 -1.26 -4.77 120.64 120.96 1x5k n GLU 65 Ca 0.13 0.39 0.25 0.00 -0.01 0.00 0.00 57.16 57.93 1x5k n GLU 65 Cb 0.29 -2.03 0.47 0.00 -1.01 0.00 0.00 31.44 29.16 1x5k n GLU 65 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 1x5k n ILE 66 N 2.45 -0.38 -0.22 -3.67 0.13 -1.26 0.22 119.36 116.62 1x5k n ILE 66 Ca 0.18 1.88 -0.08 0.00 -1.10 0.00 0.00 62.75 63.63 1x5k n ILE 66 Cb 0.19 -2.97 0.03 0.00 -0.84 0.00 0.00 39.64 36.05 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 1.12 -0.77 9.51 2.07 -2.01 -2.57 115.15 122.51 1x5k h HIS 67 Ca 0.71 -0.16 0.22 0.00 -2.85 0.00 0.00 60.37 58.29 1x5k h HIS 67 Cb 1.81 -0.31 -0.03 0.00 2.57 0.00 0.00 27.41 31.45 1x5k h HIS 67 CO -0.12 0.96 0.55 0.22 -3.07 0.00 0.00 177.93 176.47 1x5k h ASP 68 N 0.96 0.00 -4.23 3.10 3.58 0.24 -3.42 116.42 116.65 1x5k h ASP 68 Ca 0.19 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 57.13 1x5k h ASP 68 Cb 0.45 0.00 0.17 0.00 1.72 0.00 0.00 39.33 41.67 1x5k h ASP 68 CO 0.01 0.00 0.25 0.26 -2.88 0.00 0.00 179.24 176.89 1x5k s TRP 69 N -4.99 2.02 0.32 0.28 0.52 -0.97 -4.99 118.94 111.14 1x5k s TRP 69 Ca -0.05 1.64 -0.26 0.00 0.02 0.00 0.00 56.10 57.45 1x5k s TRP 69 Cb 0.21 -3.21 -0.10 0.00 -1.15 0.00 0.00 33.47 29.22 1x5k s TRP 69 CO 0.76 -2.44 0.96 0.54 0.02 0.00 0.00 176.95 176.79 1x5k s VAL 70 N -2.76 4.13 -0.46 4.03 0.11 -1.20 -4.96 120.40 119.30 1x5k s VAL 70 Ca 0.64 1.78 -0.15 0.00 -2.93 0.00 0.00 61.98 61.33 1x5k s VAL 70 Cb -0.20 -4.00 0.06 0.00 -1.53 0.00 0.00 36.38 30.71 1x5k s VAL 70 CO 0.57 0.16 0.37 -0.63 -3.33 0.00 0.00 175.10 172.24 1x5k s ILE 71 N -1.58 5.16 -0.84 7.04 1.01 -1.26 -3.75 121.20 126.98 1x5k s ILE 71 Ca 0.50 -1.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 1x5k s ILE 71 Cb -0.20 -4.05 0.21 0.00 0.01 0.00 0.00 42.46 38.44 1x5k s ILE 71 CO 0.25 -0.52 0.73 -1.61 0.00 0.00 0.00 174.94 173.79 1x5k s GLU 72 N 1.63 3.26 0.55 2.79 0.41 0.13 -4.98 118.70 122.49 1x5k s GLU 72 Ca 0.04 -2.92 -0.19 0.00 -0.41 0.00 0.00 54.97 51.49 1x5k s GLU 72 Cb -0.23 -4.06 -0.05 0.00 -1.78 0.00 0.00 34.13 28.01 1x5k s GLU 72 CO 0.07 -1.24 1.13 -1.25 -0.49 0.00 0.00 175.26 173.48 1x5k s PRO 73 N -0.72 3.31 -0.17 0.39 0.04 -1.26 -1.51 135.00 135.08 1x5k s PRO 73 Ca 0.23 1.59 0.01 0.00 0.04 0.00 0.00 61.00 62.88 1x5k s PRO 73 Cb -0.12 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1x5k s PRO 73 CO -0.09 -0.88 -0.19 0.08 0.04 0.00 0.00 177.00 175.96 1x5k s VAL 74 N -1.82 2.17 0.59 -0.36 1.01 -0.40 -4.94 120.40 116.65 1x5k s VAL 74 Ca 0.72 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 1x5k s VAL 74 Cb -0.24 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1x5k s VAL 74 CO 0.28 0.53 1.04 0.68 0.00 0.00 0.00 175.10 177.63 1x5k s VAL 75 N 1.17 4.10 0.44 2.92 -7.23 -1.26 -3.96 120.40 116.58 1x5k s VAL 75 Ca 0.02 0.93 0.00 0.00 -1.81 0.00 0.00 61.98 61.12 1x5k s VAL 75 Cb -0.14 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.29 1x5k s VAL 75 CO -0.09 -0.65 0.00 0.61 -0.31 0.00 0.00 175.10 174.66 1x5k n GLY 76 N -1.41 -2.35 2.83 2.32 0.00 -1.26 -3.95 105.19 101.37 1x5k n GLY 76 Ca 0.08 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 1x5k n GLY 76 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x5k n ASN 77 N -4.31 3.98 -4.77 1.61 3.02 -1.26 -4.78 115.26 108.74 1x5k n ASN 77 Ca -0.04 -2.60 -0.27 0.00 -0.03 0.00 0.00 54.58 51.65 1x5k n ASN 77 Cb 0.66 -1.24 -0.06 0.00 -0.61 0.00 0.00 39.78 38.53 1x5k n ASN 77 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1x5k s ARG 78 N 3.98 2.81 0.00 3.52 3.52 -1.25 -5.02 118.95 126.51 1x5k s ARG 78 Ca 0.51 -0.89 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 1x5k s ARG 78 Cb 0.13 -2.60 0.00 0.00 -1.56 0.00 0.00 34.95 30.92 1x5k s ARG 78 CO 0.02 0.49 0.79 1.28 -0.81 0.00 0.00 175.30 177.07 1x5k n LEU 79 N -0.23 1.39 -4.04 -0.88 4.77 -1.26 -4.76 117.00 111.99 1x5k n LEU 79 Ca -0.09 -1.39 -0.20 0.00 -0.03 0.00 0.00 56.01 54.30 1x5k n LEU 79 Cb 0.54 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.48 1x5k n LEU 79 CO 0.43 0.35 -0.45 0.28 -1.33 0.00 0.00 177.39 176.66 1x5k s THR 80 N -0.62 0.87 0.05 -5.08 -1.32 -1.26 -1.58 115.64 106.70 1x5k s THR 80 Ca 0.00 -0.45 0.04 0.00 -1.21 0.00 0.00 61.69 60.07 1x5k s THR 80 Cb 0.00 -0.74 -0.02 0.00 -1.51 0.00 0.00 72.50 70.22 1x5k s THR 80 CO 0.00 0.26 -0.11 -2.28 -2.21 0.00 0.00 174.62 170.27 1x5k s HIS 81 N -0.08 0.96 -0.47 9.09 2.46 -1.05 -4.98 115.29 121.22 1x5k s HIS 81 Ca 0.01 -0.41 -0.04 0.00 0.47 0.00 0.00 55.06 55.09 1x5k s HIS 81 Cb -0.06 -0.56 0.12 0.00 -0.13 0.00 0.00 32.58 31.95 1x5k s HIS 81 CO 0.00 -0.00 0.28 -0.65 -2.47 0.00 0.00 174.74 171.90 1x5k s GLN 82 N -1.39 2.20 -0.01 2.88 -0.21 -1.26 -2.07 119.66 119.80 1x5k s GLN 82 Ca -0.04 -1.98 -0.20 0.00 0.02 0.00 0.00 55.36 53.17 1x5k s GLN 82 Cb -0.09 -3.67 -0.05 0.00 1.00 0.00 0.00 33.01 30.20 1x5k s GLN 82 CO 0.01 -1.11 0.56 0.42 -2.12 0.00 0.00 175.29 173.05 1x5k s ILE 83 N 0.89 4.94 0.46 1.08 1.01 -0.88 -4.92 121.20 123.78 1x5k s ILE 83 Ca 0.10 1.18 0.03 0.00 0.00 0.00 0.00 60.65 61.95 1x5k s ILE 83 Cb -0.23 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 1x5k s ILE 83 CO -0.04 0.43 0.09 0.00 0.00 0.00 0.00 174.94 175.43 1x5k n GLN 84 N 2.69 0.63 -3.39 2.79 6.02 -1.26 -1.54 117.38 123.33 1x5k n GLN 84 Ca -0.08 -3.66 -0.18 0.00 -0.01 0.00 0.00 57.00 53.07 1x5k n GLN 84 Cb 0.51 1.59 0.08 0.00 1.02 0.00 0.00 30.24 33.44 1x5k n GLN 84 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1x5k n GLU 85 N -1.08 -6.57 -4.17 -1.09 -0.58 -1.26 -4.97 120.64 100.91 1x5k n GLU 85 Ca -0.12 0.75 -0.27 0.00 -0.42 0.00 0.00 57.16 57.10 1x5k n GLU 85 Cb 0.64 -5.52 -0.08 0.00 -0.57 0.00 0.00 31.44 25.92 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 -6.29 3.40 0.38 -4.62 1.43 -1.26 -5.11 118.68 106.61 1x5k s LEU 86 Ca 0.28 -0.31 -0.24 0.00 -1.03 0.00 0.00 54.13 52.83 1x5k s LEU 86 Cb -0.12 -2.07 -0.10 0.00 0.03 0.00 0.00 46.19 43.92 1x5k s LEU 86 CO 0.65 0.11 0.98 -0.89 0.23 0.00 0.00 176.35 177.43 1x5k s THR 87 N -1.61 4.10 0.44 5.49 2.01 -1.26 -4.67 115.64 120.14 1x5k s THR 87 Ca 0.27 1.57 0.05 0.00 0.31 0.00 0.00 61.69 63.89 1x5k s THR 87 Cb -0.10 -3.79 0.01 0.00 0.01 0.00 0.00 72.50 68.63 1x5k s THR 87 CO 0.19 -0.03 0.61 -0.76 -0.69 0.00 0.00 174.62 173.94 1x5k s LEU 88 N -2.56 3.61 -1.62 4.42 1.43 -1.26 -4.44 118.68 118.26 1x5k s LEU 88 Ca 0.56 -0.22 -0.17 0.00 -1.03 0.00 0.00 54.13 53.27 1x5k s LEU 88 Cb -0.17 -2.77 0.14 0.00 0.03 0.00 0.00 46.19 43.42 1x5k s LEU 88 CO 0.22 -0.80 0.77 -0.67 0.23 0.00 0.00 176.35 176.10 1x5k n ASP 89 N -1.96 -3.54 -3.73 2.29 2.03 -1.22 -4.94 116.55 105.48 1x5k n ASP 89 Ca 0.06 -0.89 -0.13 0.00 0.52 0.00 0.00 54.79 54.35 1x5k n ASP 89 Cb 0.59 -2.89 -0.13 0.00 -0.72 0.00 0.00 41.12 37.96 1x5k n ASP 89 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1x5k s THR 90 N -3.22 -0.05 -0.31 5.18 2.01 -1.26 -4.97 115.64 113.02 1x5k s THR 90 Ca 0.70 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 62.57 1x5k s THR 90 Cb -0.38 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 1x5k s THR 90 CO 0.85 0.07 1.67 -2.16 -0.69 0.00 0.00 174.62 174.36 1x5k s PRO 91 N 1.27 3.53 0.09 4.92 0.04 -1.26 -3.03 135.00 140.56 1x5k s PRO 91 Ca -0.09 1.42 0.04 0.00 0.04 0.00 0.00 61.00 62.41 1x5k s PRO 91 Cb -0.11 -4.11 -0.04 0.00 0.04 0.00 0.00 34.50 30.28 1x5k s PRO 91 CO -0.08 -1.61 0.04 0.71 0.04 0.00 0.00 177.00 176.09 1x5k s TYR 92 N 6.06 3.07 -0.17 0.56 1.51 -1.07 -4.88 117.35 122.44 1x5k s TYR 92 Ca 0.74 0.01 -0.01 0.00 -1.01 0.00 0.00 57.07 56.80 1x5k s TYR 92 Cb -0.22 -1.57 -0.01 0.00 -0.11 0.00 0.00 41.96 40.06 1x5k s TYR 92 CO 0.32 0.50 -0.12 0.71 -1.11 0.00 0.00 175.55 175.85 1x5k s TYR 93 N -1.37 2.84 0.12 2.71 2.02 -1.19 -1.28 117.35 121.20 1x5k s TYR 93 Ca 0.27 -0.93 0.08 0.00 -0.37 0.00 0.00 57.07 56.12 1x5k s TYR 93 Cb -0.12 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 1x5k s TYR 93 CO 0.20 -0.43 -0.10 -0.06 -1.57 0.00 0.00 175.55 173.59 1x5k s PHE 94 N 0.87 2.72 -0.01 2.71 0.40 -0.85 -2.45 117.98 121.37 1x5k s PHE 94 Ca -0.03 -0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.14 1x5k s PHE 94 Cb -0.15 -1.40 -0.00 0.00 0.51 0.00 0.00 43.02 41.98 1x5k s PHE 94 CO -0.00 0.44 -0.05 0.15 0.70 0.00 0.00 175.22 176.46 1x5k s LYS 95 N -2.35 0.44 0.01 0.44 1.02 -0.23 -1.36 119.74 117.71 1x5k s LYS 95 Ca 0.22 -0.17 0.08 0.00 0.02 0.00 0.00 55.97 56.11 1x5k s LYS 95 Cb -0.11 -0.43 -0.02 0.00 -0.52 0.00 0.00 37.83 36.75 1x5k s LYS 95 CO 0.14 0.09 -0.23 0.42 -0.92 0.00 0.00 175.35 174.85 1x5k s ILE 96 N -0.02 1.83 -0.11 2.17 1.01 -1.26 -1.50 121.20 123.32 1x5k s ILE 96 Ca 0.01 -1.11 -0.24 0.00 0.00 0.00 0.00 60.65 59.31 1x5k s ILE 96 Cb -0.03 -1.55 0.06 0.00 0.01 0.00 0.00 42.46 40.95 1x5k s ILE 96 CO -0.00 0.41 0.59 -1.58 0.00 0.00 0.00 174.94 174.35 1x5k s GLN 97 N -0.82 0.86 0.32 2.79 -0.44 -1.14 -2.70 119.66 118.54 1x5k s GLN 97 Ca 0.09 0.39 0.05 0.00 -2.50 0.00 0.00 55.36 53.39 1x5k s GLN 97 Cb -0.09 0.41 -0.02 0.00 -1.64 0.00 0.00 33.01 31.67 1x5k s GLN 97 CO 0.00 -0.21 0.47 0.00 0.50 0.00 0.00 175.29 176.05 1x5k s ALA 98 N -0.66 4.05 -0.09 1.58 0.00 -1.26 -1.98 121.76 123.40 1x5k s ALA 98 Ca -0.07 -1.30 -0.12 0.00 0.00 0.00 0.00 51.96 50.47 1x5k s ALA 98 Cb -0.03 -1.78 0.03 0.00 0.00 0.00 0.00 23.12 21.34 1x5k s ALA 98 CO 0.06 0.00 0.31 0.50 0.00 0.00 0.00 175.76 176.63 1x5k s ARG 99 N -4.18 0.45 0.35 0.00 3.52 -0.72 -2.19 118.95 116.19 1x5k s ARG 99 Ca 0.42 0.23 0.02 0.00 -0.13 0.00 0.00 55.73 56.28 1x5k s ARG 99 Cb -0.09 0.21 -0.01 0.00 -1.56 0.00 0.00 34.95 33.50 1x5k s ARG 99 CO 0.32 -0.08 0.09 0.27 -0.81 0.00 0.00 175.30 175.08 1x5k n ASN 100 N 2.41 1.68 -0.28 -2.12 6.94 -0.31 -1.72 115.26 121.86 1x5k n ASN 100 Ca -0.16 -2.76 0.27 0.00 -0.02 0.00 0.00 54.58 51.91 1x5k n ASN 100 Cb 0.57 0.69 0.50 0.00 -2.36 0.00 0.00 39.78 39.19 1x5k n ASN 100 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1x5k n SER 101 N -1.53 0.28 0.00 0.53 7.64 -1.24 -1.64 113.62 117.66 1x5k n SER 101 Ca -0.08 1.46 0.00 0.00 1.01 0.00 0.00 58.87 61.26 1x5k n SER 101 Cb 0.50 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1x5k n SER 101 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1x5k n LYS 102 N -5.01 0.00 0.00 1.43 4.76 -1.26 -5.06 118.16 113.02 1x5k n LYS 102 Ca 0.33 0.24 0.00 0.00 -2.87 0.00 0.00 58.31 56.00 1x5k n LYS 102 Cb 1.10 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 0.06 1.82 3.97 0.72 0.00 -0.65 -5.08 105.19 106.03 1x5k n GLY 103 Ca 0.00 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 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 1.52 3.00 0.00 1.61 -1.94 -1.26 -1.16 119.30 121.07 1x5k s MET 104 Ca 0.00 -0.73 0.00 0.00 -1.71 0.00 0.00 55.69 53.25 1x5k s MET 104 Cb 0.00 -2.64 0.00 0.00 2.01 0.00 0.00 34.83 34.20 1x5k s MET 104 CO 0.00 -0.23 0.00 0.41 -0.01 0.00 0.00 175.02 175.19 1x5k n GLY 105 N -1.97 3.33 3.76 -0.03 0.00 -0.93 -4.77 105.19 104.58 1x5k n GLY 105 Ca 0.02 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.19 4.44 0.18 1.61 0.04 -1.26 -4.91 135.00 133.92 1x5k s PRO 106 Ca 0.00 2.06 -0.31 0.00 0.04 0.00 0.00 61.00 62.79 1x5k s PRO 106 Cb 0.00 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.31 1x5k s PRO 106 CO 0.00 -0.10 1.47 -1.64 0.04 0.00 0.00 177.00 176.78 1x5k s MET 107 N -1.23 4.27 0.94 4.56 -1.94 -1.26 -4.58 119.30 120.06 1x5k s MET 107 Ca 0.50 2.26 -0.11 0.00 -1.71 0.00 0.00 55.69 56.62 1x5k s MET 107 Cb -0.37 -3.16 0.16 0.00 2.01 0.00 0.00 34.83 33.47 1x5k s MET 107 CO 0.46 -0.49 1.09 -1.54 -0.01 0.00 0.00 175.02 174.53 1x5k s SER 108 N 0.84 2.91 0.03 3.03 1.04 -1.10 -4.88 113.70 115.57 1x5k s SER 108 Ca 0.65 1.74 -0.31 0.00 0.48 0.00 0.00 55.95 58.51 1x5k s SER 108 Cb -0.41 -2.36 -0.10 0.00 0.10 0.00 0.00 66.02 63.25 1x5k s SER 108 CO 0.35 -3.03 1.95 -0.62 0.98 0.00 0.00 173.24 172.87 1x5k n GLU 109 N -4.16 2.76 -1.63 4.02 1.02 -1.26 -4.71 120.64 116.68 1x5k n GLU 109 Ca 0.08 1.01 -0.60 0.00 -0.02 0.00 0.00 57.16 57.63 1x5k n GLU 109 Cb 0.54 -2.95 -0.08 0.00 -0.02 0.00 0.00 31.44 28.93 1x5k n GLU 109 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x5k n ALA 110 N 7.19 -1.76 -2.51 0.62 0.00 -1.26 -4.90 120.51 117.90 1x5k n ALA 110 Ca 0.20 0.51 -0.41 0.00 0.00 0.00 0.00 53.44 53.74 1x5k n ALA 110 Cb 0.39 -1.96 -0.10 0.00 0.00 0.00 0.00 19.45 17.77 1x5k n ALA 110 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x5k s VAL 111 N 1.64 5.26 -0.45 0.00 1.01 -0.47 -4.89 120.40 122.49 1x5k s VAL 111 Ca 0.95 -0.31 -0.27 0.00 0.00 0.00 0.00 61.98 62.34 1x5k s VAL 111 Cb -1.23 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 31.38 1x5k s VAL 111 CO 0.63 -0.11 1.02 -1.58 0.00 0.00 0.00 175.10 175.06 1x5k s GLN 112 N 1.76 3.67 -0.16 2.72 0.74 -1.26 -2.01 119.66 125.11 1x5k s GLN 112 Ca 0.07 0.42 -0.00 0.00 0.05 0.00 0.00 55.36 55.89 1x5k s GLN 112 Cb -0.18 -3.90 0.04 0.00 1.10 0.00 0.00 33.01 30.07 1x5k s GLN 112 CO 0.11 -1.25 -0.07 0.12 -0.55 0.00 0.00 175.29 173.65 1x5k s PHE 113 N 4.02 1.79 0.02 1.67 5.36 -0.40 -4.97 117.98 125.47 1x5k s PHE 113 Ca 0.42 -1.11 -0.30 0.00 -0.96 0.00 0.00 56.93 54.98 1x5k s PHE 113 Cb -0.09 -1.36 -0.05 0.00 -0.34 0.00 0.00 43.02 41.18 1x5k s PHE 113 CO 0.27 -0.62 1.24 0.50 -1.46 0.00 0.00 175.22 175.15 1x5k s ARG 114 N 1.60 4.38 0.59 10.12 3.52 -1.26 -2.61 118.95 135.30 1x5k s ARG 114 Ca 0.01 1.78 -0.19 0.00 -0.13 0.00 0.00 55.73 57.21 1x5k s ARG 114 Cb -0.15 -3.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 1x5k s ARG 114 CO -0.08 -0.37 1.24 0.95 -0.81 0.00 0.00 175.30 176.23 1x5k s THR 115 N 1.61 2.46 0.00 4.11 -4.23 -1.17 -4.97 115.64 113.45 1x5k s THR 115 Ca 0.59 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 1x5k s THR 115 Cb -0.29 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.43 1x5k s THR 115 CO 0.27 -0.05 0.00 -0.81 -0.54 0.00 0.00 174.62 173.48 1x5k n PRO 116 N -1.55 0.23 -3.91 3.99 -0.04 -1.26 -3.73 135.00 128.72 1x5k n PRO 116 Ca 0.14 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.49 1x5k n PRO 116 Cb 0.49 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.83 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 -1.15 0.25 0.28 0.54 -0.14 -1.26 -3.42 119.74 114.84 1x5k s LYS 117 Ca 0.00 -0.32 -0.29 0.00 -1.36 0.00 0.00 55.97 54.00 1x5k s LYS 117 Cb 0.00 0.10 -0.10 0.00 -1.68 0.00 0.00 37.83 36.15 1x5k s LYS 117 CO 0.00 -0.05 1.23 0.00 -0.76 0.00 0.00 175.35 175.77 1x5k s ALA 118 N -0.90 3.47 0.27 5.17 0.00 -1.26 -4.91 121.76 123.59 1x5k s ALA 118 Ca -0.10 1.08 0.07 0.00 0.00 0.00 0.00 51.96 53.01 1x5k s ALA 118 Cb -0.06 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1x5k s ALA 118 CO -0.00 -0.43 0.27 0.45 0.00 0.00 0.00 175.76 176.04 1x5k s SER 119 N -0.42 5.67 0.00 0.00 0.15 -1.26 -5.09 113.70 112.75 1x5k s SER 119 Ca 0.49 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1x5k s SER 119 Cb -0.36 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.54 1x5k s SER 119 CO 0.45 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.37 1x5k n GLY 120 N -1.29 -0.38 3.61 9.45 0.00 -1.26 -4.94 105.19 110.38 1x5k n GLY 120 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1x5k n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5k s PRO 121 N -0.11 3.56 -0.03 1.61 0.04 -1.26 -4.96 135.00 133.85 1x5k s PRO 121 Ca 0.00 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 1x5k s PRO 121 Cb 0.00 -4.10 -0.05 0.00 0.04 0.00 0.00 34.50 30.39 1x5k s PRO 121 CO 0.00 -1.58 1.38 -1.12 0.04 0.00 0.00 177.00 175.72 1x5k s SER 122 N 4.99 6.87 -0.29 6.66 0.01 -1.26 -4.98 113.70 125.70 1x5k s SER 122 Ca 0.73 2.04 0.01 0.00 1.31 0.00 0.00 55.95 60.04 1x5k s SER 122 Cb -0.22 -2.56 0.19 0.00 0.21 0.00 0.00 66.02 63.64 1x5k s SER 122 CO 0.32 -0.72 0.57 -0.44 0.41 0.00 0.00 173.24 173.37 1x5k s SER 123 N 1.95 -1.22 0.00 2.44 0.01 -1.26 -5.29 113.70 110.33 1x5k s SER 123 Ca 0.63 0.56 0.00 0.00 1.31 0.00 0.00 55.95 58.45 1x5k s SER 123 Cb -0.30 1.98 0.00 0.00 0.21 0.00 0.00 66.02 67.92 1x5k s SER 123 CO 0.25 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.23