#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5k n SER 2 N 0.00 1.91 -4.22 1.61 7.64 -1.26 -4.73 113.62 114.57 1x5k n SER 2 Ca 0.00 0.37 -0.42 0.00 1.01 0.00 0.00 58.87 59.82 1x5k n SER 2 Cb 0.00 -0.91 -0.05 0.00 -1.01 0.00 0.00 64.21 62.24 1x5k n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5k s SER 3 N -7.01 6.07 0.00 6.43 0.01 -1.26 -5.02 113.70 112.92 1x5k s SER 3 Ca -0.31 -2.76 0.00 0.00 1.31 0.00 0.00 55.95 54.19 1x5k s SER 3 Cb 0.08 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.26 1x5k s SER 3 CO 0.59 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1x5k n GLY 4 N 3.76 -2.27 3.37 3.44 0.00 -1.26 -5.03 105.19 107.20 1x5k n GLY 4 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 -0.43 0.23 1.61 0.15 -1.26 -5.18 113.70 106.81 1x5k s SER 5 Ca 0.00 0.55 -0.06 0.00 0.70 0.00 0.00 55.95 57.14 1x5k s SER 5 Cb 0.00 0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 64.88 1x5k s SER 5 CO 0.00 -0.42 0.29 -0.55 1.20 0.00 0.00 173.24 173.76 1x5k s SER 6 N -0.83 0.09 0.00 5.45 0.15 -1.26 -5.05 113.70 112.25 1x5k s SER 6 Ca -0.09 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 55.36 1x5k s SER 6 Cb -0.03 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1x5k s SER 6 CO 0.05 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 174.12 1x5k n GLY 7 N -0.33 -0.01 3.46 9.45 0.00 -1.26 -5.07 105.19 111.44 1x5k n GLY 7 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1x5k n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5k s THR 8 N -1.69 4.67 -0.28 2.61 2.01 -1.26 -4.92 115.64 116.77 1x5k s THR 8 Ca 0.00 -1.61 -0.18 0.00 0.31 0.00 0.00 61.69 60.21 1x5k s THR 8 Cb 0.00 -4.82 0.12 0.00 0.01 0.00 0.00 72.50 67.80 1x5k s THR 8 CO 0.00 -1.57 0.88 0.00 -0.69 0.00 0.00 174.62 173.24 1x5k s ALA 9 N 2.82 -2.06 -0.56 7.40 0.00 -1.26 -4.94 121.76 123.16 1x5k s ALA 9 Ca 0.35 2.20 0.01 0.00 0.00 0.00 0.00 51.96 54.52 1x5k s ALA 9 Cb -0.04 -1.53 0.46 0.00 0.00 0.00 0.00 23.12 22.00 1x5k s ALA 9 CO -0.08 -0.34 1.80 -2.39 0.00 0.00 0.00 175.76 174.75 1x5k n HIS 10 N 3.54 3.07 0.00 0.00 1.44 -1.26 -4.65 115.22 117.36 1x5k n HIS 10 Ca -0.18 -2.77 0.00 0.00 -2.01 0.00 0.00 57.72 52.76 1x5k n HIS 10 Cb 0.57 -1.13 0.00 0.00 0.12 0.00 0.00 29.99 29.55 1x5k n HIS 10 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1x5k n GLY 11 N -0.87 -0.48 2.49 -1.39 0.00 -1.26 -4.88 105.19 98.80 1x5k n GLY 11 Ca 0.57 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.52 1x5k n GLY 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x5k n THR 12 N 0.00 -0.40 -2.90 2.61 -1.04 -1.26 -4.87 114.28 106.41 1x5k n THR 12 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1x5k n THR 12 Cb 0.00 -1.17 -0.05 0.00 -1.82 0.00 0.00 70.33 67.29 1x5k n THR 12 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1x5k s THR 13 N -2.42 4.71 0.21 12.58 -4.23 -1.26 -5.04 115.64 120.19 1x5k s THR 13 Ca 0.01 1.10 0.11 0.00 -1.18 0.00 0.00 61.69 61.73 1x5k s THR 13 Cb -0.01 -4.22 -0.05 0.00 1.34 0.00 0.00 72.50 69.57 1x5k s THR 13 CO 0.01 -0.39 -0.21 0.12 -0.54 0.00 0.00 174.62 173.62 1x5k s PHE 14 N 3.15 2.35 0.17 3.99 5.36 -1.26 -4.70 117.98 127.03 1x5k s PHE 14 Ca 0.34 -0.33 0.01 0.00 -0.96 0.00 0.00 56.93 55.99 1x5k s PHE 14 Cb -0.13 -1.13 -0.05 0.00 -0.34 0.00 0.00 43.02 41.37 1x5k s PHE 14 CO 0.16 0.55 0.01 -1.21 -1.46 0.00 0.00 175.22 173.26 1x5k s GLU 15 N -2.88 1.08 -0.24 10.12 2.02 -1.26 -5.14 118.70 122.40 1x5k s GLU 15 Ca 0.23 -1.52 0.02 0.00 0.02 0.00 0.00 54.97 53.72 1x5k s GLU 15 Cb -0.07 -0.20 0.06 0.00 0.10 0.00 0.00 34.13 34.01 1x5k s GLU 15 CO 0.12 -0.14 -0.08 -0.51 0.02 0.00 0.00 175.26 174.66 1x5k s LEU 16 N -3.15 2.95 0.70 1.80 2.01 -1.26 -5.10 118.68 116.62 1x5k s LEU 16 Ca 0.24 -1.25 -0.16 0.00 0.01 0.00 0.00 54.13 52.96 1x5k s LEU 16 Cb 0.06 -1.36 -0.03 0.00 0.01 0.00 0.00 46.19 44.87 1x5k s LEU 16 CO 0.03 -0.21 0.64 1.33 1.01 0.00 0.00 176.35 179.16 1x5k n VAL 17 N 4.56 2.13 -2.04 -1.59 0.24 -1.26 -4.06 118.33 116.32 1x5k n VAL 17 Ca -0.13 -0.41 -0.35 0.00 -2.04 0.00 0.00 64.34 61.41 1x5k n VAL 17 Cb 0.43 -0.83 -0.04 0.00 -1.47 0.00 0.00 33.84 31.94 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 -2.81 2.60 0.00 7.34 0.04 -1.26 -4.80 135.00 136.11 1x5k s PRO 18 Ca 0.68 0.33 0.12 0.00 0.04 0.00 0.00 61.00 62.17 1x5k s PRO 18 Cb -0.36 -4.60 0.71 0.00 0.04 0.00 0.00 34.50 30.29 1x5k s PRO 18 CO 0.55 -2.94 1.45 0.25 0.04 0.00 0.00 177.00 176.35 1x5k n THR 19 N 7.42 0.00 -5.13 1.26 -2.24 -1.26 -3.83 114.28 110.50 1x5k n THR 19 Ca 0.27 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.74 1x5k n THR 19 Cb 0.50 -0.19 -0.15 0.00 -2.10 0.00 0.00 70.33 68.39 1x5k n THR 19 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1x5k s SER 20 N -1.38 3.25 1.00 3.42 0.01 -1.26 -4.62 113.70 114.12 1x5k s SER 20 Ca 0.18 -0.46 -0.12 0.00 1.31 0.00 0.00 55.95 56.86 1x5k s SER 20 Cb 0.08 -0.41 0.19 0.00 0.21 0.00 0.00 66.02 66.09 1x5k s SER 20 CO 0.14 0.31 1.09 -2.16 0.41 0.00 0.00 173.24 173.03 1x5k s PRO 21 N -0.81 0.38 0.00 12.44 0.04 -1.26 -4.70 135.00 141.08 1x5k s PRO 21 Ca 0.11 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.66 1x5k s PRO 21 Cb -0.10 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1x5k s PRO 21 CO 0.00 -2.77 0.00 -0.35 0.04 0.00 0.00 177.00 173.93 1x5k n PRO 22 N -4.20 -0.38 -3.95 0.56 -0.04 -1.26 -4.46 135.00 121.28 1x5k n PRO 22 Ca 0.05 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.37 1x5k n PRO 22 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 1x5k n PRO 22 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x5k n LYS 23 N -1.03 0.77 -4.14 0.54 5.02 -0.39 -4.85 118.16 114.08 1x5k n LYS 23 Ca 0.00 -2.72 -0.29 0.00 -2.02 0.00 0.00 58.31 53.28 1x5k n LYS 23 Cb 0.00 2.71 -0.05 0.00 -0.02 0.00 0.00 35.03 37.66 1x5k n LYS 23 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1x5k n ASP 24 N -1.61 -0.18 -4.64 4.39 2.03 -1.26 -0.83 116.55 114.46 1x5k n ASP 24 Ca -0.01 -1.12 -0.43 0.00 0.52 0.00 0.00 54.79 53.75 1x5k n ASP 24 Cb 0.59 -2.41 -0.02 0.00 -0.72 0.00 0.00 41.12 38.56 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 -4.03 4.28 0.01 5.18 1.01 -1.26 -3.75 120.40 121.84 1x5k s VAL 25 Ca 0.11 1.47 0.01 0.00 0.00 0.00 0.00 61.98 63.58 1x5k s VAL 25 Cb -0.06 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 1x5k s VAL 25 CO 0.94 -0.44 -0.05 0.42 0.00 0.00 0.00 175.10 175.97 1x5k s THR 26 N 4.02 0.37 -0.24 3.92 -4.23 -0.85 -5.02 115.64 113.60 1x5k s THR 26 Ca 0.52 -0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 60.66 1x5k s THR 26 Cb -0.16 -0.34 0.07 0.00 1.34 0.00 0.00 72.50 73.41 1x5k s THR 26 CO 0.19 -0.00 0.03 -0.69 -0.54 0.00 0.00 174.62 173.61 1x5k s VAL 27 N -0.36 0.91 0.53 2.29 1.01 -1.26 -1.10 120.40 122.41 1x5k s VAL 27 Ca -0.01 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.03 1x5k s VAL 27 Cb -0.03 -1.44 0.07 0.00 0.00 0.00 0.00 36.38 34.97 1x5k s VAL 27 CO -0.00 -0.33 0.55 1.33 0.00 0.00 0.00 175.10 176.64 1x5k n VAL 28 N 4.88 0.00 -4.41 2.92 0.24 -0.54 -4.99 118.33 116.42 1x5k n VAL 28 Ca -0.07 -1.97 -0.25 0.00 -2.04 0.00 0.00 64.34 60.00 1x5k n VAL 28 Cb 0.45 -0.25 -0.10 0.00 -1.47 0.00 0.00 33.84 32.46 1x5k n VAL 28 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1x5k s SER 29 N -4.21 3.73 0.21 -1.34 0.01 -1.26 -2.25 113.70 108.58 1x5k s SER 29 Ca 0.41 -0.88 -0.08 0.00 1.31 0.00 0.00 55.95 56.71 1x5k s SER 29 Cb -0.03 -0.40 -0.07 0.00 0.21 0.00 0.00 66.02 65.73 1x5k s SER 29 CO 0.26 0.07 0.50 -0.75 0.41 0.00 0.00 173.24 173.73 1x5k s LYS 30 N -3.19 3.74 -0.16 12.44 2.47 -0.40 -4.74 119.74 129.90 1x5k s LYS 30 Ca 0.27 0.16 -0.12 0.00 -1.56 0.00 0.00 55.97 54.72 1x5k s LYS 30 Cb -0.07 -2.71 -0.06 0.00 -1.46 0.00 0.00 37.83 33.54 1x5k s LYS 30 CO 0.14 0.36 -0.11 -1.91 0.16 0.00 0.00 175.35 173.99 1x5k n GLU 31 N -0.09 0.48 0.21 4.03 2.13 -1.26 -4.14 120.64 121.99 1x5k n GLU 31 Ca -0.00 0.53 0.09 0.00 0.66 0.00 0.00 57.16 58.43 1x5k n GLU 31 Cb 0.52 -1.69 0.50 0.00 0.27 0.00 0.00 31.44 31.04 1x5k n GLU 31 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1x5k h GLY 32 N -1.00 0.00 -5.71 8.31 0.00 -1.98 -3.37 103.07 99.32 1x5k h GLY 32 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1x5k h GLY 32 CO -0.05 0.00 -0.32 1.25 0.00 0.00 0.00 176.54 177.43 1x5k s LYS 33 N -3.56 0.39 0.22 4.80 2.36 -1.26 -5.04 119.74 117.65 1x5k s LYS 33 Ca -0.02 1.12 -0.01 0.00 -2.55 0.00 0.00 55.97 54.51 1x5k s LYS 33 Cb 0.05 0.44 0.22 0.00 -1.05 0.00 0.00 37.83 37.50 1x5k s LYS 33 CO 0.17 -0.25 1.59 -1.00 1.55 0.00 0.00 175.35 177.40 1x5k h PRO 34 N 8.13 0.53 -0.03 4.03 0.13 -1.74 -2.72 132.00 140.33 1x5k h PRO 34 Ca -0.16 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1x5k h PRO 34 Cb 1.11 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1x5k h PRO 34 CO 0.12 0.86 0.00 1.63 -0.23 0.00 0.00 178.00 180.38 1x5k n LYS 35 N -4.01 0.89 -4.86 0.86 5.02 -1.26 -4.64 118.16 110.15 1x5k n LYS 35 Ca -0.02 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.97 1x5k n LYS 35 Cb 0.53 -1.01 -0.14 0.00 -0.02 0.00 0.00 35.03 34.38 1x5k n LYS 35 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1x5k s THR 36 N -1.97 2.23 0.04 -0.18 2.01 -1.03 -2.43 115.64 114.32 1x5k s THR 36 Ca 0.00 -1.37 -0.04 0.00 0.31 0.00 0.00 61.69 60.59 1x5k s THR 36 Cb 0.00 -1.88 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 1x5k s THR 36 CO 0.00 0.36 0.05 0.27 -0.69 0.00 0.00 174.62 174.60 1x5k s ILE 37 N -0.83 0.15 -0.15 1.82 -4.36 -0.82 -1.28 121.20 115.72 1x5k s ILE 37 Ca 0.12 -1.21 0.02 0.00 -0.26 0.00 0.00 60.65 59.32 1x5k s ILE 37 Cb -0.10 -0.91 0.01 0.00 1.25 0.00 0.00 42.46 42.71 1x5k s ILE 37 CO 0.03 -0.67 -0.20 -0.63 0.24 0.00 0.00 174.94 173.71 1x5k s ILE 38 N -2.68 2.23 -0.20 8.37 1.09 -0.95 -2.22 121.20 126.85 1x5k s ILE 38 Ca -0.04 -0.91 -0.05 0.00 -1.10 0.00 0.00 60.65 58.54 1x5k s ILE 38 Cb -0.01 -1.91 -0.03 0.00 -1.06 0.00 0.00 42.46 39.45 1x5k s ILE 38 CO -0.05 0.54 0.00 -0.69 -0.10 0.00 0.00 174.94 174.64 1x5k s VAL 39 N 0.90 4.03 0.29 2.92 1.01 -0.91 -1.47 120.40 127.16 1x5k s VAL 39 Ca -0.05 -0.29 0.10 0.00 0.00 0.00 0.00 61.98 61.75 1x5k s VAL 39 Cb -0.15 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 1x5k s VAL 39 CO -0.03 0.43 -0.08 0.20 0.00 0.00 0.00 175.10 175.63 1x5k s ASN 40 N 0.91 4.08 0.14 3.32 0.01 -0.26 -2.03 114.94 121.11 1x5k s ASN 40 Ca 0.01 -0.88 -0.24 0.00 -0.71 0.00 0.00 52.86 51.04 1x5k s ASN 40 Cb -0.14 -0.56 0.08 0.00 0.41 0.00 0.00 41.25 41.04 1x5k s ASN 40 CO 0.02 -0.05 1.11 -1.66 -1.51 0.00 0.00 177.10 175.01 1x5k s TRP 41 N -2.45 0.07 0.03 2.20 -2.14 -1.00 -2.01 118.94 113.65 1x5k s TRP 41 Ca 0.32 -0.41 -0.03 0.00 2.66 0.00 0.00 56.10 58.64 1x5k s TRP 41 Cb -0.04 0.67 -0.02 0.00 -3.10 0.00 0.00 33.47 30.98 1x5k s TRP 41 CO 0.18 -0.76 0.03 -0.65 -2.66 0.00 0.00 176.95 173.08 1x5k s GLN 42 N -2.06 0.48 0.66 3.25 -1.52 -0.01 -4.83 119.66 115.63 1x5k s GLN 42 Ca 0.25 -0.77 -0.15 0.00 -1.95 0.00 0.00 55.36 52.74 1x5k s GLN 42 Cb -0.02 0.18 0.00 0.00 -0.22 0.00 0.00 33.01 32.95 1x5k s GLN 42 CO 0.04 -0.10 1.11 -1.25 -0.25 0.00 0.00 175.29 174.84 1x5k s PRO 43 N -2.34 2.79 0.32 2.91 0.04 -1.26 -1.26 135.00 136.20 1x5k s PRO 43 Ca -0.08 1.38 -0.29 0.00 0.04 0.00 0.00 61.00 62.06 1x5k s PRO 43 Cb -0.03 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 1x5k s PRO 43 CO -0.04 -1.26 1.23 -1.25 0.04 0.00 0.00 177.00 175.72 1x5k s PRO 44 N -4.12 4.45 0.45 0.56 0.04 -1.26 -4.59 135.00 130.53 1x5k s PRO 44 Ca 0.67 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.87 1x5k s PRO 44 Cb -0.20 -3.10 1.00 0.00 0.04 0.00 0.00 34.50 32.24 1x5k s PRO 44 CO 0.42 -0.05 2.08 1.03 0.04 0.00 0.00 177.00 180.52 1x5k h SER 45 N 3.51 0.28 0.61 6.66 0.87 -1.94 -2.87 113.55 120.67 1x5k h SER 45 Ca -0.48 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.04 1x5k h SER 45 Cb 1.22 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1x5k h SER 45 CO 0.66 0.22 -0.36 -0.33 -0.53 0.00 0.00 176.83 176.49 1x5k h GLU 46 N 0.33 -0.88 -6.75 2.24 5.08 -1.96 -3.46 114.58 109.17 1x5k h GLU 46 Ca 0.09 0.06 -0.49 0.00 -1.00 0.00 0.00 59.36 58.02 1x5k h GLU 46 Cb -0.01 0.20 -0.13 0.00 0.50 0.00 0.00 28.75 29.31 1x5k h GLU 46 CO -0.02 -0.59 -0.78 0.00 -1.00 0.00 0.00 179.01 176.63 1x5k n ALA 47 N -2.57 -1.91 -0.53 3.43 0.00 -1.09 -4.64 120.51 113.21 1x5k n ALA 47 Ca -0.13 -0.37 0.40 0.00 0.00 0.00 0.00 53.44 53.35 1x5k n ALA 47 Cb 0.39 -0.94 0.63 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.06 0.03 0.00 0.00 3.02 -1.26 -4.30 115.26 110.69 1x5k n ASN 48 Ca -0.22 0.85 0.00 0.00 -0.03 0.00 0.00 54.58 55.17 1x5k n ASN 48 Cb 0.53 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 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 -1.66 2.01 3.41 7.41 0.00 -1.26 -4.74 105.19 110.36 1x5k n GLY 49 Ca 0.35 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 1.41 1.71 0.04 1.61 0.00 -1.26 -5.13 119.74 118.13 1x5k s LYS 50 Ca 0.00 -1.72 0.05 0.00 0.00 0.00 0.00 55.97 54.30 1x5k s LYS 50 Cb 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 37.83 38.20 1x5k s LYS 50 CO 0.00 -0.67 -0.15 0.42 0.00 0.00 0.00 175.35 174.95 1x5k s ILE 51 N -3.45 1.15 0.00 3.79 -1.09 -1.26 -4.59 121.20 115.75 1x5k s ILE 51 Ca 0.33 -1.06 0.00 0.00 -2.23 0.00 0.00 60.65 57.69 1x5k s ILE 51 Cb 0.01 -1.05 0.00 0.00 -1.58 0.00 0.00 42.46 39.85 1x5k s ILE 51 CO 0.19 -0.02 0.00 0.35 -1.23 0.00 0.00 174.94 174.23 1x5k n THR 52 N 1.80 0.00 -3.61 2.92 -2.24 -1.22 -5.00 114.28 106.93 1x5k n THR 52 Ca -0.18 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 1x5k n THR 52 Cb 0.55 -0.53 0.01 0.00 -2.10 0.00 0.00 70.33 68.26 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 2.04 1.08 3.45 3.38 0.00 -1.21 -4.00 105.19 109.93 1x5k n GLY 53 Ca 0.00 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 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 -4.24 0.99 -0.02 1.61 1.51 -1.21 -2.88 117.35 113.10 1x5k s TYR 54 Ca 0.12 -1.22 -0.01 0.00 -1.01 0.00 0.00 57.07 54.95 1x5k s TYR 54 Cb -0.02 -0.16 0.02 0.00 -0.11 0.00 0.00 41.96 41.69 1x5k s TYR 54 CO 0.04 -1.00 0.05 0.42 -1.11 0.00 0.00 175.55 173.95 1x5k s ILE 55 N -3.47 -0.03 -0.12 2.71 1.01 -1.01 -0.40 121.20 119.89 1x5k s ILE 55 Ca 0.31 0.11 -0.00 0.00 0.00 0.00 0.00 60.65 61.07 1x5k s ILE 55 Cb 0.01 -0.09 -0.02 0.00 0.01 0.00 0.00 42.46 42.37 1x5k s ILE 55 CO 0.17 0.05 -0.13 -0.63 0.00 0.00 0.00 174.94 174.40 1x5k s ILE 56 N 0.60 3.09 -0.23 2.92 1.01 0.36 -2.34 121.20 126.61 1x5k s ILE 56 Ca -0.05 -0.65 -0.00 0.00 0.00 0.00 0.00 60.65 59.95 1x5k s ILE 56 Cb -0.07 -2.30 0.03 0.00 0.01 0.00 0.00 42.46 40.13 1x5k s ILE 56 CO -0.02 0.53 -0.11 -0.31 0.00 0.00 0.00 174.94 175.03 1x5k s TYR 57 N 0.26 3.01 0.04 3.97 1.51 -0.31 0.16 117.35 125.99 1x5k s TYR 57 Ca -0.09 -1.68 0.06 0.00 -1.01 0.00 0.00 57.07 54.35 1x5k s TYR 57 Cb -0.15 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.68 1x5k s TYR 57 CO 0.05 -0.77 -0.17 1.52 -1.11 0.00 0.00 175.55 175.07 1x5k s TYR 58 N 1.28 1.51 0.25 2.71 -0.85 -1.23 -0.89 117.35 120.14 1x5k s TYR 58 Ca 0.00 -0.36 -0.20 0.00 -0.52 0.00 0.00 57.07 56.00 1x5k s TYR 58 Cb -0.16 -0.90 0.02 0.00 0.38 0.00 0.00 41.96 41.30 1x5k s TYR 58 CO -0.07 0.06 0.66 -1.54 -1.52 0.00 0.00 175.55 173.14 1x5k s SER 59 N -1.14 -0.27 0.11 -0.18 1.04 -1.07 -2.81 113.70 109.37 1x5k s SER 59 Ca 0.05 -0.57 0.24 0.00 0.48 0.00 0.00 55.95 56.15 1x5k s SER 59 Cb -0.08 0.68 0.31 0.00 0.10 0.00 0.00 66.02 67.03 1x5k s SER 59 CO 0.01 -1.25 1.28 0.35 0.98 0.00 0.00 173.24 174.61 1x5k n THR 60 N -0.43 0.33 -4.34 2.02 -2.24 -1.26 -3.05 114.28 105.30 1x5k n THR 60 Ca -0.06 -0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.11 1x5k n THR 60 Cb 0.60 -0.08 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 1x5k n THR 60 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x5k s ASP 61 N -4.17 5.16 0.01 3.42 1.11 -1.26 -4.91 116.67 116.02 1x5k s ASP 61 Ca 0.06 0.06 0.24 0.00 0.18 0.00 0.00 52.55 53.09 1x5k s ASP 61 Cb 0.14 -1.61 0.25 0.00 1.07 0.00 0.00 42.92 42.77 1x5k s ASP 61 CO 0.73 0.30 1.23 0.55 1.18 0.00 0.00 175.17 179.16 1x5k n VAL 62 N 2.68 0.02 0.12 -1.27 3.14 -1.26 -4.06 118.33 117.70 1x5k n VAL 62 Ca -0.18 -0.03 0.06 0.00 -2.96 0.00 0.00 64.34 61.23 1x5k n VAL 62 Cb 0.53 0.46 -0.08 0.00 -1.06 0.00 0.00 33.84 33.69 1x5k n VAL 62 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1x5k n ASN 63 N -1.55 1.95 -4.67 6.55 3.02 -1.26 -5.01 115.26 114.28 1x5k n ASN 63 Ca 0.05 -0.19 -0.44 0.00 -0.03 0.00 0.00 54.58 53.97 1x5k n ASN 63 Cb 0.34 1.39 -0.02 0.00 -0.61 0.00 0.00 39.78 40.89 1x5k n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5k n ALA 64 N -1.74 1.02 -1.63 5.41 0.00 -1.26 -4.87 120.51 117.45 1x5k n ALA 64 Ca -0.01 0.39 -0.44 0.00 0.00 0.00 0.00 53.44 53.38 1x5k n ALA 64 Cb 0.27 -2.24 -0.01 0.00 0.00 0.00 0.00 19.45 17.47 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 1.32 1.61 0.29 0.00 1.02 -1.26 -4.79 120.64 118.83 1x5k n GLU 65 Ca 0.09 0.56 0.14 0.00 -0.02 0.00 0.00 57.16 57.93 1x5k n GLU 65 Cb 0.33 -2.00 0.77 0.00 -0.02 0.00 0.00 31.44 30.52 1x5k n GLU 65 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1x5k h ILE 66 N 2.18 0.00 0.00 -3.67 6.09 -1.96 0.48 117.51 120.63 1x5k h ILE 66 Ca -0.42 0.00 -0.11 0.00 -1.37 0.00 0.00 64.86 62.96 1x5k h ILE 66 Cb 1.32 0.62 -0.02 0.00 0.47 0.00 0.00 36.82 39.22 1x5k h ILE 66 CO 0.61 0.00 -0.52 1.12 -3.07 0.00 0.00 178.15 176.29 1x5k h HIS 67 N 0.00 0.00 0.00 2.19 2.07 -2.01 -3.21 115.15 114.19 1x5k h HIS 67 Ca 0.00 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.34 1x5k h HIS 67 Cb 0.54 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.49 1x5k h HIS 67 CO 0.00 0.52 -0.86 0.22 -3.07 0.00 0.00 177.93 174.74 1x5k h ASP 68 N 0.00 0.00 -4.27 3.10 3.58 -0.35 -3.46 116.42 115.02 1x5k h ASP 68 Ca -0.01 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.92 1x5k h ASP 68 Cb 1.33 0.00 0.19 0.00 1.72 0.00 0.00 39.33 42.57 1x5k h ASP 68 CO 0.07 0.86 0.25 0.26 -2.88 0.00 0.00 179.24 177.79 1x5k s TRP 69 N -2.92 1.76 0.45 0.28 0.52 -1.15 -5.00 118.94 112.89 1x5k s TRP 69 Ca 0.01 1.76 -0.14 0.00 0.02 0.00 0.00 56.10 57.74 1x5k s TRP 69 Cb 0.10 -3.32 -0.08 0.00 -1.15 0.00 0.00 33.47 29.03 1x5k s TRP 69 CO 0.80 -2.67 0.88 0.54 0.02 0.00 0.00 176.95 176.51 1x5k s VAL 70 N -2.64 4.63 -0.28 4.03 0.11 -1.12 -4.96 120.40 120.17 1x5k s VAL 70 Ca 0.66 0.99 -0.06 0.00 -2.93 0.00 0.00 61.98 60.64 1x5k s VAL 70 Cb -0.22 -3.71 0.00 0.00 -1.53 0.00 0.00 36.38 30.92 1x5k s VAL 70 CO 0.57 -0.55 0.06 -0.63 -3.33 0.00 0.00 175.10 171.22 1x5k s ILE 71 N -2.44 3.94 -0.74 7.04 1.01 -1.26 -3.58 121.20 125.17 1x5k s ILE 71 Ca 0.56 -0.61 -0.00 0.00 0.00 0.00 0.00 60.65 60.60 1x5k s ILE 71 Cb -0.10 -2.98 0.18 0.00 0.01 0.00 0.00 42.46 39.57 1x5k s ILE 71 CO 0.29 0.15 0.57 -1.61 0.00 0.00 0.00 174.94 174.33 1x5k s GLU 72 N 1.51 2.76 0.24 2.79 0.41 0.12 -4.96 118.70 121.58 1x5k s GLU 72 Ca 0.03 -3.01 -0.30 0.00 -0.41 0.00 0.00 54.97 51.29 1x5k s GLU 72 Cb -0.17 -3.71 -0.09 0.00 -1.78 0.00 0.00 34.13 28.38 1x5k s GLU 72 CO 0.02 -1.23 1.28 -1.25 -0.49 0.00 0.00 175.26 173.59 1x5k s PRO 73 N -0.89 4.42 -0.25 0.39 0.04 -1.26 -0.49 135.00 136.96 1x5k s PRO 73 Ca 0.23 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 63.23 1x5k s PRO 73 Cb -0.12 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1x5k s PRO 73 CO -0.09 -0.17 0.10 0.08 0.04 0.00 0.00 177.00 176.96 1x5k s VAL 74 N -0.32 4.61 0.85 -0.36 1.01 0.46 -4.95 120.40 121.70 1x5k s VAL 74 Ca 0.53 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.32 1x5k s VAL 74 Cb -0.36 -3.16 0.10 0.00 0.00 0.00 0.00 36.38 32.96 1x5k s VAL 74 CO 0.42 0.33 1.15 0.68 0.00 0.00 0.00 175.10 177.68 1x5k s VAL 75 N 1.53 2.11 0.08 2.92 -7.23 -1.26 -3.35 120.40 115.19 1x5k s VAL 75 Ca 0.06 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 1x5k s VAL 75 Cb -0.15 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.87 1x5k s VAL 75 CO 0.05 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 1x5k n GLY 76 N -2.79 -0.60 1.74 2.32 0.00 -1.26 -3.29 105.19 101.31 1x5k n GLY 76 Ca 0.07 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.13 5.77 -4.77 1.61 6.94 -1.26 -4.38 115.26 115.04 1x5k n ASN 77 Ca 0.00 -2.68 -0.39 0.00 -0.02 0.00 0.00 54.58 51.49 1x5k n ASN 77 Cb 0.17 -1.14 -0.06 0.00 -2.36 0.00 0.00 39.78 36.39 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 -0.59 4.51 -0.01 -3.83 3.52 -1.21 -4.96 118.95 116.39 1x5k s ARG 78 Ca 0.20 1.09 0.11 0.00 -0.13 0.00 0.00 55.73 57.00 1x5k s ARG 78 Cb 0.13 -3.29 0.31 0.00 -1.56 0.00 0.00 34.95 30.55 1x5k s ARG 78 CO -0.01 0.50 1.26 1.28 -0.81 0.00 0.00 175.30 177.51 1x5k n LEU 79 N 1.94 2.97 -4.02 -0.88 4.77 -1.26 -4.74 117.00 115.78 1x5k n LEU 79 Ca -0.05 -2.07 -0.14 0.00 -0.03 0.00 0.00 56.01 53.71 1x5k n LEU 79 Cb 0.49 -0.25 -0.13 0.00 -2.33 0.00 0.00 43.42 41.21 1x5k n LEU 79 CO 0.46 0.72 -0.40 0.28 -1.33 0.00 0.00 177.39 177.12 1x5k s THR 80 N -1.13 0.48 0.16 -5.08 -1.32 -1.26 -2.38 115.64 105.12 1x5k s THR 80 Ca 0.24 -0.74 0.01 0.00 -1.21 0.00 0.00 61.69 59.99 1x5k s THR 80 Cb 0.13 -0.50 -0.04 0.00 -1.51 0.00 0.00 72.50 70.58 1x5k s THR 80 CO 0.15 -0.19 0.02 -2.28 -2.21 0.00 0.00 174.62 170.12 1x5k s HIS 81 N -0.88 1.08 -0.22 9.09 2.46 -0.86 -5.00 115.29 120.97 1x5k s HIS 81 Ca -0.05 -1.10 -0.01 0.00 0.47 0.00 0.00 55.06 54.37 1x5k s HIS 81 Cb -0.07 -0.62 0.06 0.00 -0.13 0.00 0.00 32.58 31.82 1x5k s HIS 81 CO 0.00 -0.33 -0.02 -0.65 -2.47 0.00 0.00 174.74 171.28 1x5k s GLN 82 N -3.97 1.23 -0.23 2.88 -0.21 -1.26 -2.15 119.66 115.95 1x5k s GLN 82 Ca 0.24 -0.78 -0.08 0.00 0.02 0.00 0.00 55.36 54.76 1x5k s GLN 82 Cb 0.07 -2.40 -0.04 0.00 1.00 0.00 0.00 33.01 31.64 1x5k s GLN 82 CO 0.03 -0.62 0.10 0.42 -2.12 0.00 0.00 175.29 173.09 1x5k s ILE 83 N 1.57 4.72 0.34 1.08 1.01 -0.94 -4.96 121.20 124.01 1x5k s ILE 83 Ca -0.04 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.59 1x5k s ILE 83 Cb -0.18 -3.19 0.01 0.00 0.01 0.00 0.00 42.46 39.11 1x5k s ILE 83 CO -0.07 0.36 0.12 0.00 0.00 0.00 0.00 174.94 175.35 1x5k n GLN 84 N 4.48 1.09 -3.33 2.79 6.02 -1.26 -1.95 117.38 125.22 1x5k n GLN 84 Ca -0.16 -2.31 -0.21 0.00 -0.01 0.00 0.00 57.00 54.31 1x5k n GLN 84 Cb 0.52 0.45 0.06 0.00 1.02 0.00 0.00 30.24 32.29 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 -1.06 -6.36 -3.86 -1.09 -0.58 -1.11 -4.96 120.64 101.62 1x5k n GLU 85 Ca -0.08 0.74 -0.21 0.00 -0.42 0.00 0.00 57.16 57.20 1x5k n GLU 85 Cb 0.41 -5.46 -0.02 0.00 -0.57 0.00 0.00 31.44 25.80 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 -6.38 4.08 0.07 -4.62 1.43 -1.02 -5.10 118.68 107.14 1x5k s LEU 86 Ca 0.46 -0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 53.26 1x5k s LEU 86 Cb -0.20 -2.68 -0.07 0.00 0.03 0.00 0.00 46.19 43.27 1x5k s LEU 86 CO 0.56 -0.18 0.57 -0.89 0.23 0.00 0.00 176.35 176.64 1x5k s THR 87 N -2.09 4.74 0.76 5.49 2.01 -1.26 -4.70 115.64 120.59 1x5k s THR 87 Ca 0.37 1.22 -0.08 0.00 0.31 0.00 0.00 61.69 63.51 1x5k s THR 87 Cb -0.09 -3.90 0.10 0.00 0.01 0.00 0.00 72.50 68.62 1x5k s THR 87 CO 0.29 0.56 1.08 -0.76 -0.69 0.00 0.00 174.62 175.09 1x5k s LEU 88 N -1.11 2.79 -1.85 4.42 1.43 -1.26 -4.16 118.68 118.94 1x5k s LEU 88 Ca 0.29 0.34 -0.22 0.00 -1.03 0.00 0.00 54.13 53.51 1x5k s LEU 88 Cb -0.19 -2.83 0.22 0.00 0.03 0.00 0.00 46.19 43.42 1x5k s LEU 88 CO 0.19 -1.86 0.56 -0.67 0.23 0.00 0.00 176.35 174.80 1x5k n ASP 89 N -3.09 -1.66 -3.76 2.29 2.03 -1.23 -4.90 116.55 106.23 1x5k n ASP 89 Ca 0.10 -1.24 -0.15 0.00 0.52 0.00 0.00 54.79 54.02 1x5k n ASP 89 Cb 0.60 -1.58 -0.16 0.00 -0.72 0.00 0.00 41.12 39.26 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 -3.28 -0.07 -0.45 5.18 2.01 -1.26 -4.96 115.64 112.82 1x5k s THR 90 Ca 0.79 0.24 -0.28 0.00 0.31 0.00 0.00 61.69 62.75 1x5k s THR 90 Cb -0.46 -0.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.95 1x5k s THR 90 CO 1.02 0.10 1.76 -2.16 -0.69 0.00 0.00 174.62 174.65 1x5k s PRO 91 N 1.19 3.10 -0.13 4.92 0.04 -1.26 -3.47 135.00 139.39 1x5k s PRO 91 Ca -0.08 1.04 -0.05 0.00 0.04 0.00 0.00 61.00 61.95 1x5k s PRO 91 Cb -0.13 -4.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.13 1x5k s PRO 91 CO -0.03 -2.15 0.05 0.71 0.04 0.00 0.00 177.00 175.62 1x5k s TYR 92 N 7.49 3.27 -0.18 0.56 1.51 -0.75 -4.88 117.35 124.37 1x5k s TYR 92 Ca 0.72 0.19 -0.06 0.00 -1.01 0.00 0.00 57.07 56.91 1x5k s TYR 92 Cb -0.17 -1.93 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 1x5k s TYR 92 CO 0.28 0.39 0.02 0.71 -1.11 0.00 0.00 175.55 175.84 1x5k s TYR 93 N -0.42 3.11 0.19 2.71 1.51 -1.17 -0.86 117.35 122.43 1x5k s TYR 93 Ca 0.09 -0.21 0.10 0.00 -1.01 0.00 0.00 57.07 56.04 1x5k s TYR 93 Cb -0.12 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 1x5k s TYR 93 CO 0.02 -0.04 -0.16 -0.06 -1.11 0.00 0.00 175.55 174.20 1x5k s PHE 94 N 0.62 2.49 -0.02 2.71 0.40 0.51 -2.61 117.98 122.08 1x5k s PHE 94 Ca 0.00 -0.28 -0.01 0.00 -0.60 0.00 0.00 56.93 56.04 1x5k s PHE 94 Cb -0.14 -1.21 0.02 0.00 0.51 0.00 0.00 43.02 42.20 1x5k s PHE 94 CO 0.02 0.52 0.05 0.15 0.70 0.00 0.00 175.22 176.66 1x5k s LYS 95 N -2.82 0.02 0.00 0.44 1.02 -0.06 0.07 119.74 118.41 1x5k s LYS 95 Ca 0.24 0.14 0.06 0.00 0.02 0.00 0.00 55.97 56.42 1x5k s LYS 95 Cb -0.08 -0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 37.11 1x5k s LYS 95 CO 0.13 -0.08 -0.16 0.42 -0.92 0.00 0.00 175.35 174.74 1x5k s ILE 96 N 0.50 2.93 -0.01 2.17 1.01 -1.26 -1.16 121.20 125.38 1x5k s ILE 96 Ca -0.04 -0.99 -0.10 0.00 0.00 0.00 0.00 60.65 59.52 1x5k s ILE 96 Cb -0.06 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.22 1x5k s ILE 96 CO -0.02 0.44 0.21 -1.58 0.00 0.00 0.00 174.94 173.99 1x5k s GLN 97 N -1.17 0.54 0.07 2.79 0.74 -0.99 -3.00 119.66 118.65 1x5k s GLN 97 Ca 0.14 -0.26 0.02 0.00 0.05 0.00 0.00 55.36 55.30 1x5k s GLN 97 Cb -0.11 0.23 -0.04 0.00 1.10 0.00 0.00 33.01 34.20 1x5k s GLN 97 CO 0.04 -0.14 0.15 0.00 -0.55 0.00 0.00 175.29 174.79 1x5k s ALA 98 N -1.25 3.79 -0.03 1.58 0.00 -1.26 -2.39 121.76 122.20 1x5k s ALA 98 Ca -0.13 -0.93 -0.19 0.00 0.00 0.00 0.00 51.96 50.71 1x5k s ALA 98 Cb -0.06 -1.64 0.04 0.00 0.00 0.00 0.00 23.12 21.46 1x5k s ALA 98 CO 0.03 0.78 0.41 -0.98 0.00 0.00 0.00 175.76 175.99 1x5k s ARG 99 N -2.49 0.75 0.41 0.00 1.70 -1.14 -1.98 118.95 116.20 1x5k s ARG 99 Ca 0.32 -0.02 0.03 0.00 -0.47 0.00 0.00 55.73 55.59 1x5k s ARG 99 Cb -0.12 0.34 -0.03 0.00 -0.57 0.00 0.00 34.95 34.57 1x5k s ARG 99 CO 0.25 -0.21 0.08 0.54 -1.08 0.00 0.00 175.30 174.88 1x5k s ASN 100 N -1.18 3.02 0.58 -2.89 2.20 0.11 -3.33 114.94 113.44 1x5k s ASN 100 Ca -0.12 -1.59 0.33 0.00 -0.94 0.00 0.00 52.86 50.54 1x5k s ASN 100 Cb -0.04 0.34 1.40 0.00 -2.00 0.00 0.00 41.25 40.95 1x5k s ASN 100 CO 0.05 -0.82 1.71 0.28 -2.94 0.00 0.00 177.10 175.38 1x5k h SER 101 N 1.77 0.00 0.00 3.54 0.02 -1.95 -2.44 113.55 114.49 1x5k h SER 101 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1x5k h SER 101 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1x5k h SER 101 CO 0.64 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 176.62 1x5k n LYS 102 N -3.79 0.00 0.00 3.45 4.76 -1.26 -5.07 118.16 116.25 1x5k n LYS 102 Ca 0.21 0.40 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1x5k n LYS 102 Cb 1.17 -1.07 0.00 0.00 -1.84 0.00 0.00 35.03 33.30 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 1.11 3.35 3.56 0.72 0.00 -0.92 -5.12 105.19 107.89 1x5k n GLY 103 Ca 0.00 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 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 1.65 2.02 0.00 1.61 -1.94 -1.26 -0.72 119.30 120.66 1x5k s MET 104 Ca 0.00 -1.50 0.00 0.00 -1.71 0.00 0.00 55.69 52.48 1x5k s MET 104 Cb 0.00 -2.03 0.00 0.00 2.01 0.00 0.00 34.83 34.81 1x5k s MET 104 CO 0.00 0.37 0.00 0.41 -0.01 0.00 0.00 175.02 175.79 1x5k n GLY 105 N -0.56 3.78 3.77 -0.03 0.00 -0.84 -4.81 105.19 106.49 1x5k n GLY 105 Ca -0.07 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.57 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 1.95 2.76 0.01 1.61 0.04 -1.25 -4.88 135.00 135.25 1x5k s PRO 106 Ca 0.00 1.38 -0.05 0.00 0.04 0.00 0.00 61.00 62.37 1x5k s PRO 106 Cb 0.00 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1x5k s PRO 106 CO 0.00 -1.28 0.24 -1.64 0.04 0.00 0.00 177.00 174.36 1x5k s MET 107 N -4.15 3.53 0.82 4.56 -1.94 -1.26 -4.56 119.30 116.29 1x5k s MET 107 Ca 0.67 -0.17 -0.12 0.00 -1.71 0.00 0.00 55.69 54.35 1x5k s MET 107 Cb -0.20 -3.07 0.08 0.00 2.01 0.00 0.00 34.83 33.65 1x5k s MET 107 CO 0.42 0.65 1.13 0.45 -0.01 0.00 0.00 175.02 177.67 1x5k s SER 108 N -1.83 4.39 0.61 3.03 0.15 -1.16 -4.99 113.70 113.90 1x5k s SER 108 Ca 0.28 1.01 -0.18 0.00 0.70 0.00 0.00 55.95 57.76 1x5k s SER 108 Cb -0.13 -1.63 -0.03 0.00 -1.71 0.00 0.00 66.02 62.52 1x5k s SER 108 CO 0.18 -2.00 1.16 -1.83 1.20 0.00 0.00 173.24 171.95 1x5k s GLU 109 N -5.36 2.96 -0.29 5.44 1.03 -1.26 -4.78 118.70 116.44 1x5k s GLU 109 Ca 0.62 1.65 -0.30 0.00 0.03 0.00 0.00 54.97 56.96 1x5k s GLU 109 Cb -0.13 -1.95 -0.07 0.00 -0.80 0.00 0.00 34.13 31.18 1x5k s GLU 109 CO 0.52 -1.17 2.24 0.00 -1.33 0.00 0.00 175.26 175.52 1x5k n ALA 110 N -1.82 1.50 -2.63 -0.84 0.00 -1.26 -4.75 120.51 110.70 1x5k n ALA 110 Ca 0.12 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1x5k n ALA 110 Cb 0.51 -2.85 -0.03 0.00 0.00 0.00 0.00 19.45 17.08 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 8.46 4.00 0.01 0.00 1.01 0.11 -4.84 120.40 129.14 1x5k s VAL 111 Ca 1.03 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 63.05 1x5k s VAL 111 Cb -0.47 -4.78 -0.03 0.00 0.00 0.00 0.00 36.38 31.10 1x5k s VAL 111 CO 0.38 -1.57 0.99 -1.58 0.00 0.00 0.00 175.10 173.32 1x5k s GLN 112 N 4.99 4.56 -0.12 2.72 0.74 -1.26 -0.36 119.66 130.93 1x5k s GLN 112 Ca 0.33 1.43 -0.06 0.00 0.05 0.00 0.00 55.36 57.12 1x5k s GLN 112 Cb -0.10 -3.45 0.05 0.00 1.10 0.00 0.00 33.01 30.61 1x5k s GLN 112 CO 0.17 -0.04 0.27 0.12 -0.55 0.00 0.00 175.29 175.26 1x5k s PHE 113 N 0.96 -0.40 0.34 1.67 2.19 -0.04 -5.00 117.98 117.71 1x5k s PHE 113 Ca 0.52 0.91 -0.24 0.00 0.33 0.00 0.00 56.93 58.46 1x5k s PHE 113 Cb -0.21 0.06 -0.10 0.00 -1.31 0.00 0.00 43.02 41.46 1x5k s PHE 113 CO 0.28 -0.28 0.91 0.50 1.83 0.00 0.00 175.22 178.46 1x5k s ARG 114 N 1.60 4.43 0.22 10.12 3.52 -1.26 -1.81 118.95 135.76 1x5k s ARG 114 Ca -0.07 1.19 -0.14 0.00 -0.13 0.00 0.00 55.73 56.59 1x5k s ARG 114 Cb -0.11 -2.62 -0.08 0.00 -1.56 0.00 0.00 34.95 30.59 1x5k s ARG 114 CO -0.09 0.20 0.62 0.95 -0.81 0.00 0.00 175.30 176.17 1x5k s THR 115 N -1.78 4.79 0.00 4.11 -4.23 -1.23 -4.97 115.64 112.34 1x5k s THR 115 Ca 0.53 0.83 0.00 0.00 -1.18 0.00 0.00 61.69 61.87 1x5k s THR 115 Cb -0.15 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 69.99 1x5k s THR 115 CO 0.20 0.07 0.00 -0.81 -0.54 0.00 0.00 174.62 173.54 1x5k n PRO 116 N 0.30 0.23 -4.02 3.99 -0.04 -1.26 -3.68 135.00 130.52 1x5k n PRO 116 Ca -0.01 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.35 1x5k n PRO 116 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.41 0.30 0.54 -0.14 -1.26 -3.57 119.74 114.87 1x5k s LYS 117 Ca 0.00 -0.74 -0.29 0.00 -1.36 0.00 0.00 55.97 53.58 1x5k s LYS 117 Cb 0.00 0.04 -0.10 0.00 -1.68 0.00 0.00 37.83 36.09 1x5k s LYS 117 CO 0.00 -0.04 1.29 0.00 -0.76 0.00 0.00 175.35 175.84 1x5k s ALA 118 N -1.85 3.50 0.24 5.17 0.00 -1.26 -4.98 121.76 122.59 1x5k s ALA 118 Ca -0.11 1.19 0.12 0.00 0.00 0.00 0.00 51.96 53.16 1x5k s ALA 118 Cb -0.07 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 1x5k s ALA 118 CO -0.02 -0.56 -0.21 -1.54 0.00 0.00 0.00 175.76 173.43 1x5k s SER 119 N -0.35 3.58 0.63 0.00 1.04 -1.26 -5.15 113.70 112.20 1x5k s SER 119 Ca 0.50 -0.94 -0.02 0.00 0.48 0.00 0.00 55.95 55.98 1x5k s SER 119 Cb -0.38 -0.31 0.06 0.00 0.10 0.00 0.00 66.02 65.48 1x5k s SER 119 CO 0.48 0.07 0.36 0.61 0.98 0.00 0.00 173.24 175.74 1x5k n GLY 120 N -0.27 0.19 3.77 7.32 0.00 -1.26 -5.08 105.19 109.87 1x5k n GLY 120 Ca -0.08 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 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 -3.47 2.21 0.12 1.61 0.04 -1.26 -5.05 135.00 129.21 1x5k s PRO 121 Ca 0.23 1.15 0.01 0.00 0.04 0.00 0.00 61.00 62.43 1x5k s PRO 121 Cb -0.01 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1x5k s PRO 121 CO 0.15 -1.67 0.28 -1.54 0.04 0.00 0.00 177.00 174.26 1x5k s SER 122 N -3.40 6.37 -0.30 6.66 1.04 -1.26 -5.09 113.70 117.72 1x5k s SER 122 Ca 0.61 0.27 -0.05 0.00 0.48 0.00 0.00 55.95 57.26 1x5k s SER 122 Cb -0.17 -1.96 0.19 0.00 0.10 0.00 0.00 66.02 64.18 1x5k s SER 122 CO 0.56 0.08 0.79 -0.55 0.98 0.00 0.00 173.24 175.10 1x5k s SER 123 N -2.90 -1.02 0.00 7.02 0.15 -1.26 -5.36 113.70 110.34 1x5k s SER 123 Ca 0.36 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1x5k s SER 123 Cb -0.12 1.83 0.00 0.00 -1.71 0.00 0.00 66.02 66.02 1x5k s SER 123 CO 0.28 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.14