#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x53 n SER 2 N 0.00 -0.65 -4.57 1.61 3.41 -1.26 -4.81 113.62 107.35 1x53 n SER 2 Ca 0.00 1.00 -0.43 0.00 -0.26 0.00 0.00 58.87 59.18 1x53 n SER 2 Cb 0.00 -0.82 -0.03 0.00 -0.26 0.00 0.00 64.21 63.10 1x53 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x53 s SER 3 N -0.52 6.48 0.00 4.04 0.15 -1.26 -5.01 113.70 117.58 1x53 s SER 3 Ca 0.65 0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1x53 s SER 3 Cb -0.93 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 60.88 1x53 s SER 3 CO 0.49 -1.27 0.00 0.61 1.20 0.00 0.00 173.24 174.27 1x53 n GLY 4 N 5.00 -1.69 1.99 9.45 0.00 -1.26 -4.68 105.19 114.00 1x53 n GLY 4 Ca 0.07 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 1x53 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x53 n SER 5 N 0.00 6.65 -4.07 1.61 3.41 -1.26 -4.76 113.62 115.19 1x53 n SER 5 Ca 0.00 -3.17 -0.36 0.00 -0.26 0.00 0.00 58.87 55.08 1x53 n SER 5 Cb 0.00 -1.06 -0.10 0.00 -0.26 0.00 0.00 64.21 62.79 1x53 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x53 s SER 6 N -0.09 5.11 0.42 4.04 0.15 -1.26 -5.04 113.70 117.02 1x53 s SER 6 Ca 0.37 -2.92 0.00 0.00 0.70 0.00 0.00 55.95 54.10 1x53 s SER 6 Cb 0.29 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 1x53 s SER 6 CO -0.02 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1x53 n GLY 7 N 3.38 -1.72 3.51 9.45 0.00 -1.26 -4.77 105.19 113.77 1x53 n GLY 7 Ca 0.08 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 1x53 n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x53 s ILE 8 N -1.09 4.38 0.35 -0.61 -1.09 -1.26 -4.99 121.20 116.89 1x53 s ILE 8 Ca 0.00 -0.16 -0.24 0.00 -2.23 0.00 0.00 60.65 58.02 1x53 s ILE 8 Cb 0.00 -3.01 -0.10 0.00 -1.58 0.00 0.00 42.46 37.77 1x53 s ILE 8 CO 0.00 0.40 0.93 -2.16 -1.23 0.00 0.00 174.94 172.88 1x53 s PRO 9 N 1.08 4.46 0.23 2.79 0.04 -1.26 -5.00 135.00 137.34 1x53 s PRO 9 Ca 0.04 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.33 1x53 s PRO 9 Cb -0.14 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 1x53 s PRO 9 CO 0.03 0.19 0.17 0.95 0.04 0.00 0.00 177.00 178.38 1x53 s THR 10 N -1.78 0.00 0.30 1.26 -4.23 -1.26 -0.77 115.64 109.15 1x53 s THR 10 Ca 0.53 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.01 1x53 s THR 10 Cb -0.16 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.18 1x53 s THR 10 CO 0.20 0.00 0.41 0.00 -0.54 0.00 0.00 174.62 174.69 1x53 s LYS 12 N -3.46 3.75 -0.63 0.00 2.20 -1.26 -2.66 119.74 117.67 1x53 s LYS 12 Ca 0.31 0.05 0.05 0.00 -0.36 0.00 0.00 55.97 56.02 1x53 s LYS 12 Cb 0.01 -3.25 0.20 0.00 -1.51 0.00 0.00 37.83 33.28 1x53 s LYS 12 CO 0.17 0.64 0.57 -0.89 -0.36 0.00 0.00 175.35 175.49 1x53 n ILE 13 N 2.27 1.41 -3.20 5.43 2.08 0.16 -4.99 119.36 122.51 1x53 n ILE 13 Ca -0.17 -4.78 -0.42 0.00 0.56 0.00 0.00 62.75 57.95 1x53 n ILE 13 Cb 0.54 -2.08 -0.07 0.00 -0.75 0.00 0.00 39.64 37.27 1x53 n ILE 13 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1x53 s THR 14 N -1.65 4.97 -0.09 1.39 2.01 -1.26 -2.32 115.64 118.69 1x53 s THR 14 Ca 0.32 0.32 -0.00 0.00 0.31 0.00 0.00 61.69 62.64 1x53 s THR 14 Cb 0.05 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.56 1x53 s THR 14 CO -0.11 -0.30 -0.06 -0.76 -0.69 0.00 0.00 174.62 172.70 1x53 s LEU 15 N 2.50 1.08 -0.11 4.42 1.43 -0.00 -4.96 118.68 123.04 1x53 s LEU 15 Ca 0.20 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 1x53 s LEU 15 Cb -0.15 -0.71 0.03 0.00 0.03 0.00 0.00 46.19 45.39 1x53 s LEU 15 CO 0.14 -0.12 -0.04 -1.59 0.23 0.00 0.00 176.35 174.97 1x53 s LYS 16 N 1.63 1.16 0.41 1.70 -2.85 -1.26 0.65 119.74 121.19 1x53 s LYS 16 Ca 0.02 -0.18 0.06 0.00 -1.00 0.00 0.00 55.97 54.87 1x53 s LYS 16 Cb -0.13 -1.48 -0.07 0.00 -2.06 0.00 0.00 37.83 34.09 1x53 s LYS 16 CO -0.06 -0.32 0.02 -2.00 0.10 0.00 0.00 175.35 173.08 1x53 s GLU 17 N 1.79 1.96 -0.22 1.78 2.56 -1.12 -4.95 118.70 120.50 1x53 s GLU 17 Ca 0.04 -2.13 -0.07 0.00 0.00 0.00 0.00 54.97 52.81 1x53 s GLU 17 Cb -0.13 -1.54 -0.03 0.00 2.00 0.00 0.00 34.13 34.43 1x53 s GLU 17 CO -0.07 -0.11 0.06 0.99 -0.56 0.00 0.00 175.26 175.57 1x53 s THR 18 N -2.79 4.40 -0.10 -1.70 2.01 -1.26 -1.73 115.64 114.47 1x53 s THR 18 Ca 0.31 -0.15 -0.05 0.00 0.31 0.00 0.00 61.69 62.12 1x53 s THR 18 Cb 0.09 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1x53 s THR 18 CO 0.16 0.38 0.09 -0.36 -0.69 0.00 0.00 174.62 174.20 1x53 s PHE 19 N 1.17 3.42 -0.13 4.92 0.40 0.12 -4.78 117.98 123.10 1x53 s PHE 19 Ca 0.04 0.38 -0.01 0.00 -0.60 0.00 0.00 56.93 56.74 1x53 s PHE 19 Cb -0.14 -1.87 0.04 0.00 0.51 0.00 0.00 43.02 41.56 1x53 s PHE 19 CO 0.03 0.63 2.24 1.28 0.70 0.00 0.00 175.22 180.10 1x53 n LEU 20 N 1.98 5.78 -4.00 -0.37 7.99 -0.56 0.75 117.00 128.56 1x53 n LEU 20 Ca -0.19 -2.90 -0.10 0.00 -0.01 0.00 0.00 56.01 52.82 1x53 n LEU 20 Cb 0.54 -1.15 -0.08 0.00 -0.11 0.00 0.00 43.42 42.63 1x53 n LEU 20 CO 0.31 1.21 -0.07 0.28 -1.51 0.00 0.00 177.39 177.60 1x53 s THR 21 N -0.78 0.07 0.46 -5.08 -1.32 -1.21 -4.84 115.64 102.93 1x53 s THR 21 Ca 0.22 -1.50 -0.19 0.00 -1.21 0.00 0.00 61.69 59.01 1x53 s THR 21 Cb 0.14 -1.91 -0.10 0.00 -1.51 0.00 0.00 72.50 69.12 1x53 s THR 21 CO -0.02 -0.30 0.95 -0.44 -2.21 0.00 0.00 174.62 172.60 1x53 s SER 22 N -2.99 6.80 0.08 8.08 0.01 -1.26 -1.10 113.70 123.31 1x53 s SER 22 Ca 0.19 1.61 -0.22 0.00 1.31 0.00 0.00 55.95 58.84 1x53 s SER 22 Cb 0.04 -2.52 -0.08 0.00 0.21 0.00 0.00 66.02 63.67 1x53 s SER 22 CO 0.01 -0.45 1.36 -0.65 0.41 0.00 0.00 173.24 173.93 1x53 h PRO 23 N 1.51 -0.34 -1.35 12.44 0.11 -1.92 -0.36 132.00 142.09 1x53 h PRO 23 Ca -0.48 0.02 0.47 0.00 0.11 0.00 0.00 66.00 66.12 1x53 h PRO 23 Cb 1.18 0.08 -0.14 0.00 0.11 0.00 0.00 31.00 32.24 1x53 h PRO 23 CO 0.61 -0.23 0.87 -0.85 -0.21 0.00 0.00 178.00 178.20 1x53 n GLU 24 N -4.44 -0.03 0.00 1.05 0.28 -1.26 0.22 120.64 116.45 1x53 n GLU 24 Ca -0.04 1.22 0.00 0.00 -0.16 0.00 0.00 57.16 58.18 1x53 n GLU 24 Cb 0.24 -2.41 0.00 0.00 1.43 0.00 0.00 31.44 30.70 1x53 n GLU 24 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1x53 n GLU 25 N -4.65 0.00 0.22 3.44 4.07 -0.18 -3.22 120.64 120.32 1x53 n GLU 25 Ca 0.39 0.49 0.18 0.00 -0.06 0.00 0.00 57.16 58.17 1x53 n GLU 25 Cb 1.54 -1.32 0.80 0.00 -0.06 0.00 0.00 31.44 32.40 1x53 n GLU 25 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1x53 h LEU 26 N 0.00 0.00 -1.36 4.31 5.85 -0.82 0.26 115.31 123.55 1x53 h LEU 26 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1x53 h LEU 26 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1x53 h LEU 26 CO 0.00 0.00 0.00 0.22 -0.34 0.00 0.00 178.44 178.32 1x53 h TYR 27 N 0.00 0.00 0.00 1.25 3.20 -0.20 -3.01 116.97 118.22 1x53 h TYR 27 Ca 0.09 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.75 1x53 h TYR 27 Cb 0.81 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 1x53 h TYR 27 CO 0.00 0.00 -1.49 0.54 -1.64 0.00 0.00 178.16 175.57 1x53 n ARG 28 N -2.33 0.54 -0.27 1.82 1.74 0.91 -3.15 116.66 115.93 1x53 n ARG 28 Ca -0.01 0.37 0.32 0.00 -0.77 0.00 0.00 57.85 57.76 1x53 n ARG 28 Cb 0.09 -1.57 0.55 0.00 -1.02 0.00 0.00 32.46 30.51 1x53 n ARG 28 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1x53 h VAL 29 N -1.00 0.06 0.00 1.55 2.07 -1.56 2.35 116.25 119.72 1x53 h VAL 29 Ca -0.32 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.01 1x53 h VAL 29 Cb 1.19 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1x53 h VAL 29 CO -0.19 0.00 -2.18 0.49 0.02 0.00 0.00 177.57 175.71 1x53 n PHE 30 N -3.44 0.03 -1.10 1.57 3.01 -1.17 -4.01 117.46 112.34 1x53 n PHE 30 Ca 0.25 0.01 0.05 0.00 1.01 0.00 0.00 57.45 58.77 1x53 n PHE 30 Cb 1.50 -0.78 0.24 0.00 -0.01 0.00 0.00 39.48 40.44 1x53 n PHE 30 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1x53 n THR 31 N -2.53 2.36 -3.61 4.37 -2.24 0.64 -4.89 114.28 108.38 1x53 n THR 31 Ca -0.19 -2.08 -0.28 0.00 -2.27 0.00 0.00 64.05 59.23 1x53 n THR 31 Cb 0.88 -0.28 -0.16 0.00 -2.10 0.00 0.00 70.33 68.68 1x53 n THR 31 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x53 s THR 32 N -2.94 0.09 0.10 4.28 2.01 0.64 -4.42 115.64 115.40 1x53 s THR 32 Ca 0.43 -0.54 -0.23 0.00 0.31 0.00 0.00 61.69 61.66 1x53 s THR 32 Cb 0.36 -0.88 -0.07 0.00 0.01 0.00 0.00 72.50 71.92 1x53 s THR 32 CO 0.07 -0.46 1.39 -0.61 -0.69 0.00 0.00 174.62 174.32 1x53 h GLN 33 N 8.36 -0.22 -0.86 4.92 4.15 -1.85 -1.12 115.11 128.48 1x53 h GLN 33 Ca -0.17 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.34 1x53 h GLN 33 Cb 1.08 0.05 -0.10 0.00 0.21 0.00 0.00 27.48 28.72 1x53 h GLN 33 CO 0.37 -0.15 -0.51 -1.91 -1.93 0.00 0.00 178.83 174.70 1x53 n GLU 34 N -4.62 -0.38 -0.33 1.69 2.13 -1.26 0.99 120.64 118.86 1x53 n GLU 34 Ca -0.02 1.43 0.19 0.00 0.66 0.00 0.00 57.16 59.43 1x53 n GLU 34 Cb 0.23 -2.11 0.44 0.00 0.27 0.00 0.00 31.44 30.27 1x53 n GLU 34 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1x53 h LEU 35 N 0.00 0.58 -0.03 4.31 3.38 -1.70 -0.32 115.31 121.53 1x53 h LEU 35 Ca 0.14 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1x53 h LEU 35 Cb 0.35 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1x53 h LEU 35 CO -0.81 0.13 0.01 0.58 0.09 0.00 0.00 178.44 178.43 1x53 h VAL 36 N 0.52 1.20 0.00 1.22 2.07 0.19 -2.18 116.25 119.27 1x53 h VAL 36 Ca 0.60 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1x53 h VAL 36 Cb 1.30 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1x53 h VAL 36 CO -0.36 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.38 1x53 n GLN 37 N -4.95 0.11 -0.10 1.57 6.02 -0.03 -0.92 117.38 119.08 1x53 n GLN 37 Ca -0.07 0.16 -0.21 0.00 -0.01 0.00 0.00 57.00 56.86 1x53 n GLN 37 Cb 0.14 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.79 1x53 n GLN 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x53 h ALA 38 N 2.30 0.24 -0.00 -1.58 0.00 -0.82 -2.66 119.26 116.73 1x53 h ALA 38 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1x53 h ALA 38 Cb 0.04 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1x53 h ALA 38 CO 0.00 0.63 -0.26 1.97 0.00 0.00 0.00 179.25 181.59 1x53 n PHE 39 N -4.44 0.00 0.26 0.00 1.16 -0.97 -3.65 117.46 109.82 1x53 n PHE 39 Ca -0.30 0.00 0.07 0.00 -1.87 0.00 0.00 57.45 55.35 1x53 n PHE 39 Cb 0.67 -0.24 -0.09 0.00 -1.61 0.00 0.00 39.48 38.20 1x53 n PHE 39 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1x53 n THR 40 N -1.17 0.00 -4.30 1.97 -2.24 -0.10 -4.70 114.28 103.74 1x53 n THR 40 Ca 0.10 -0.26 -0.38 0.00 -2.27 0.00 0.00 64.05 61.23 1x53 n THR 40 Cb 0.32 0.52 -0.08 0.00 -2.10 0.00 0.00 70.33 68.99 1x53 n THR 40 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1x53 n HIS 41 N -1.71 -1.08 -3.69 4.78 8.25 -1.00 -4.77 115.22 115.99 1x53 n HIS 41 Ca -0.00 0.63 -0.14 0.00 -0.26 0.00 0.00 57.72 57.95 1x53 n HIS 41 Cb 0.30 -1.81 -0.07 0.00 1.12 0.00 0.00 29.99 29.53 1x53 n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x53 s ALA 42 N -3.20 -0.99 -0.90 -1.41 0.00 -1.26 -4.97 121.76 109.03 1x53 s ALA 42 Ca 0.69 0.43 -0.17 0.00 0.00 0.00 0.00 51.96 52.91 1x53 s ALA 42 Cb -0.40 0.19 -0.25 0.00 0.00 0.00 0.00 23.12 22.65 1x53 s ALA 42 CO 0.95 -0.36 2.30 -2.30 0.00 0.00 0.00 175.76 176.34 1x53 n PRO 43 N 0.88 0.25 -4.85 0.00 -0.02 -1.26 -4.47 135.00 125.52 1x53 n PRO 43 Ca -0.20 -0.30 -0.33 0.00 -2.02 0.00 0.00 63.50 60.65 1x53 n PRO 43 Cb 0.58 -2.10 -0.13 0.00 -0.02 0.00 0.00 33.50 31.82 1x53 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x53 s ALA 44 N 6.46 2.69 -0.32 3.55 0.00 -1.26 -2.80 121.76 130.08 1x53 s ALA 44 Ca 1.17 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 52.18 1x53 s ALA 44 Cb -0.59 -1.02 0.10 0.00 0.00 0.00 0.00 23.12 21.61 1x53 s ALA 44 CO 0.38 0.52 0.07 0.99 0.00 0.00 0.00 175.76 177.72 1x53 s THR 45 N -0.61 1.55 -0.09 0.00 2.01 0.22 -4.80 115.64 113.92 1x53 s THR 45 Ca 0.09 -1.85 -0.02 0.00 0.31 0.00 0.00 61.69 60.22 1x53 s THR 45 Cb -0.11 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 1x53 s THR 45 CO 0.01 -0.63 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.07 1x53 s LEU 46 N 1.27 3.48 -0.35 4.42 0.20 -1.26 -0.02 118.68 126.42 1x53 s LEU 46 Ca 0.10 0.09 0.00 0.00 0.69 0.00 0.00 54.13 55.01 1x53 s LEU 46 Cb -0.18 -1.79 0.11 0.00 -0.43 0.00 0.00 46.19 43.90 1x53 s LEU 46 CO -0.17 0.35 0.14 -1.61 -0.29 0.00 0.00 176.35 174.77 1x53 s GLU 47 N -0.72 0.90 -0.63 1.98 2.02 -1.05 -4.16 118.70 117.04 1x53 s GLU 47 Ca 0.11 -1.39 -0.26 0.00 0.02 0.00 0.00 54.97 53.45 1x53 s GLU 47 Cb -0.12 -2.11 -0.09 0.00 0.10 0.00 0.00 34.13 31.92 1x53 s GLU 47 CO 0.02 -1.05 2.32 0.00 0.02 0.00 0.00 175.26 176.58 1x53 s ALA 48 N 1.20 1.37 -0.25 5.21 0.00 -1.26 -4.31 121.76 123.72 1x53 s ALA 48 Ca 0.12 -0.42 -0.28 0.00 0.00 0.00 0.00 51.96 51.39 1x53 s ALA 48 Cb -0.20 -4.43 0.17 0.00 0.00 0.00 0.00 23.12 18.66 1x53 s ALA 48 CO -0.16 -4.91 1.23 0.34 0.00 0.00 0.00 175.76 172.26 1x53 s ASP 49 N 11.10 -0.18 -0.56 0.00 2.15 -1.26 -5.01 116.67 122.90 1x53 s ASP 49 Ca 0.91 0.25 -0.26 0.00 0.43 0.00 0.00 52.55 53.88 1x53 s ASP 49 Cb -0.15 0.22 -0.08 0.00 -0.30 0.00 0.00 42.92 42.61 1x53 s ASP 49 CO 0.18 -0.13 2.40 -0.13 -0.17 0.00 0.00 175.17 177.32 1x53 s ARG 50 N -0.68 1.98 0.00 4.34 0.52 -1.26 -0.27 118.95 123.58 1x53 s ARG 50 Ca 0.05 1.18 0.00 0.00 -0.52 0.00 0.00 55.73 56.44 1x53 s ARG 50 Cb -0.02 -4.63 0.00 0.00 0.52 0.00 0.00 34.95 30.82 1x53 s ARG 50 CO -0.07 -3.55 0.00 0.41 0.02 0.00 0.00 175.30 172.11 1x53 n GLY 51 N 6.19 0.75 3.30 -3.53 0.00 0.66 -4.96 105.19 107.60 1x53 n GLY 51 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 1x53 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x53 n GLY 52 N -1.00 -3.26 3.28 -0.02 0.00 0.63 -4.36 105.19 100.46 1x53 n GLY 52 Ca 0.00 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 1x53 n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x53 s LYS 53 N -4.78 2.77 -0.22 1.61 3.01 -1.26 -1.68 119.74 119.19 1x53 s LYS 53 Ca 0.68 -0.86 0.02 0.00 -1.01 0.00 0.00 55.97 54.79 1x53 s LYS 53 Cb -0.17 -2.26 0.04 0.00 -1.01 0.00 0.00 37.83 34.43 1x53 s LYS 53 CO 0.60 0.33 -0.13 -0.59 0.51 0.00 0.00 175.35 176.06 1x53 s PHE 54 N -0.01 2.82 -0.06 3.18 -0.12 -1.23 -2.54 117.98 120.01 1x53 s PHE 54 Ca -0.08 -1.87 0.04 0.00 -0.05 0.00 0.00 56.93 54.97 1x53 s PHE 54 Cb -0.15 -1.82 -0.02 0.00 -0.63 0.00 0.00 43.02 40.40 1x53 s PHE 54 CO 0.05 -0.81 -0.17 -1.58 -0.05 0.00 0.00 175.22 172.66 1x53 s HIS 55 N 1.26 2.64 0.33 3.49 2.46 0.97 -2.58 115.29 123.86 1x53 s HIS 55 Ca -0.02 -0.38 -0.02 0.00 0.47 0.00 0.00 55.06 55.11 1x53 s HIS 55 Cb -0.17 -1.65 -0.00 0.00 -0.13 0.00 0.00 32.58 30.63 1x53 s HIS 55 CO -0.08 0.02 0.43 0.00 -2.47 0.00 0.00 174.74 172.64 1x53 s MET 56 N -0.41 1.83 -1.12 2.88 0.23 0.55 0.73 119.30 123.98 1x53 s MET 56 Ca 0.04 -1.74 -0.07 0.00 -1.03 0.00 0.00 55.69 52.89 1x53 s MET 56 Cb -0.12 0.42 0.01 0.00 -1.53 0.00 0.00 34.83 33.61 1x53 s MET 56 CO 0.02 -0.74 0.92 0.28 -2.03 0.00 0.00 175.02 173.46 1x53 n VAL 57 N -0.54 -2.36 -3.27 5.16 0.31 -1.26 -1.24 118.33 115.13 1x53 n VAL 57 Ca 0.01 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.18 1x53 n VAL 57 Cb 0.62 -3.48 0.06 0.00 -0.91 0.00 0.00 33.84 30.13 1x53 n VAL 57 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1x53 n ASP 58 N -2.13 -4.67 -1.56 4.52 -0.08 -1.25 -2.77 116.55 108.61 1x53 n ASP 58 Ca -0.00 -0.41 -0.11 0.00 -1.51 0.00 0.00 54.79 52.75 1x53 n ASP 58 Cb 0.55 -3.90 0.01 0.00 2.34 0.00 0.00 41.12 40.13 1x53 n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x53 n GLY 59 N -1.53 0.04 0.04 0.27 0.00 -1.08 -4.87 105.19 98.06 1x53 n GLY 59 Ca -0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 46.02 45.63 1x53 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x53 n ASN 60 N -0.33 1.39 -3.98 1.61 3.02 -0.41 -4.78 115.26 111.78 1x53 n ASN 60 Ca -0.07 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.18 1x53 n ASN 60 Cb 0.57 1.23 -0.16 0.00 -0.61 0.00 0.00 39.78 40.81 1x53 n ASN 60 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1x53 s VAL 61 N -2.68 1.53 0.48 2.41 1.01 -0.37 0.15 120.40 122.94 1x53 s VAL 61 Ca -0.07 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1x53 s VAL 61 Cb 0.07 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1x53 s VAL 61 CO 0.62 0.19 0.02 -0.94 0.00 0.00 0.00 175.10 175.00 1x53 s SER 62 N 1.45 3.87 0.00 3.32 1.04 -1.17 -0.33 113.70 121.87 1x53 s SER 62 Ca -0.00 -1.63 0.00 0.00 0.48 0.00 0.00 55.95 54.80 1x53 s SER 62 Cb -0.16 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1x53 s SER 62 CO -0.08 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1x53 n GLY 63 N -1.17 -0.75 3.35 7.32 0.00 -1.07 -3.02 105.19 109.86 1x53 n GLY 63 Ca -0.16 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 1x53 n GLY 63 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x53 s GLU 64 N -0.02 0.51 -0.17 1.61 -1.05 -1.25 -3.57 118.70 114.77 1x53 s GLU 64 Ca 0.00 0.74 -0.29 0.00 -0.15 0.00 0.00 54.97 55.26 1x53 s GLU 64 Cb 0.00 0.16 -0.00 0.00 -0.44 0.00 0.00 34.13 33.85 1x53 s GLU 64 CO 0.00 -0.10 1.08 -0.06 0.95 0.00 0.00 175.26 177.13 1x53 s PHE 65 N 0.72 3.31 -0.21 4.83 0.40 -0.68 -1.40 117.98 124.94 1x53 s PHE 65 Ca -0.04 1.42 0.07 0.00 -0.60 0.00 0.00 56.93 57.78 1x53 s PHE 65 Cb -0.05 -3.29 -0.18 0.00 0.51 0.00 0.00 43.02 40.01 1x53 s PHE 65 CO -0.05 -0.66 -0.11 0.25 0.70 0.00 0.00 175.22 175.35 1x53 n THR 66 N 5.02 1.31 -3.87 0.64 -2.24 0.12 0.24 114.28 115.49 1x53 n THR 66 Ca 0.11 -0.61 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 1x53 n THR 66 Cb 0.47 -1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 67.56 1x53 n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x53 s ASP 67 N -5.89 0.00 -0.19 3.42 -1.08 -0.70 -4.77 116.67 107.46 1x53 s ASP 67 Ca -0.23 -0.08 -0.04 0.00 -0.52 0.00 0.00 52.55 51.68 1x53 s ASP 67 Cb 0.07 0.20 0.09 0.00 -1.46 0.00 0.00 42.92 41.82 1x53 s ASP 67 CO 0.62 -0.22 0.21 -0.76 0.52 0.00 0.00 175.17 175.53 1x53 s LEU 68 N -0.80 -0.07 -0.07 -1.34 1.43 -1.26 -1.92 118.68 114.65 1x53 s LEU 68 Ca -0.09 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1x53 s LEU 68 Cb -0.05 0.32 -0.03 0.00 0.03 0.00 0.00 46.19 46.46 1x53 s LEU 68 CO 0.01 -0.32 -0.11 -0.69 0.23 0.00 0.00 176.35 175.47 1x53 s VAL 69 N 2.31 3.37 -0.36 -1.59 1.01 -0.82 -5.04 120.40 119.28 1x53 s VAL 69 Ca 0.06 -0.60 -0.38 0.00 0.00 0.00 0.00 61.98 61.06 1x53 s VAL 69 Cb -0.15 -2.36 -0.14 0.00 0.00 0.00 0.00 36.38 33.73 1x53 s VAL 69 CO -0.11 0.59 2.08 -2.65 0.00 0.00 0.00 175.10 175.00 1x53 n PRO 70 N 2.42 0.87 -3.34 2.72 -0.02 -1.26 -2.16 135.00 134.23 1x53 n PRO 70 Ca -0.18 0.26 -0.17 0.00 -2.02 0.00 0.00 63.50 61.40 1x53 n PRO 70 Cb 0.53 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 1x53 n PRO 70 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1x53 n GLU 71 N 7.39 -0.95 0.07 -0.52 1.02 -1.26 -4.67 120.64 121.73 1x53 n GLU 71 Ca 0.41 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1x53 n GLU 71 Cb 0.15 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 1x53 n GLU 71 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1x53 n LYS 72 N -2.71 0.00 -3.57 3.49 5.02 -0.92 -4.83 118.16 114.65 1x53 n LYS 72 Ca -0.12 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.09 1x53 n LYS 72 Cb 0.33 -0.35 -0.02 0.00 -0.02 0.00 0.00 35.03 34.97 1x53 n LYS 72 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1x53 s HIS 73 N -2.00 -0.32 -0.04 2.13 -3.43 -1.24 -2.06 115.29 108.34 1x53 s HIS 73 Ca 0.00 0.12 -0.01 0.00 -0.80 0.00 0.00 55.06 54.36 1x53 s HIS 73 Cb 0.00 0.57 0.03 0.00 -1.43 0.00 0.00 32.58 31.76 1x53 s HIS 73 CO 0.00 -0.69 0.08 0.42 -2.00 0.00 0.00 174.74 172.55 1x53 s ILE 74 N -3.29 -0.09 -0.18 -5.38 1.01 -0.27 -1.94 121.20 111.05 1x53 s ILE 74 Ca 0.06 0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.97 1x53 s ILE 74 Cb -0.01 -0.16 0.00 0.00 0.01 0.00 0.00 42.46 42.30 1x53 s ILE 74 CO -0.06 0.11 -0.12 -0.69 0.00 0.00 0.00 174.94 174.18 1x53 s VAL 75 N 1.48 2.78 0.32 2.92 1.01 -0.81 0.37 120.40 128.47 1x53 s VAL 75 Ca -0.05 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 1x53 s VAL 75 Cb -0.12 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.05 1x53 s VAL 75 CO -0.04 0.49 0.54 0.00 0.00 0.00 0.00 175.10 176.09 1x53 s MET 76 N 1.15 1.84 0.30 2.72 0.23 0.00 0.12 119.30 125.67 1x53 s MET 76 Ca 0.01 -1.52 -0.00 0.00 -1.03 0.00 0.00 55.69 53.15 1x53 s MET 76 Cb -0.14 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.61 1x53 s MET 76 CO -0.04 -0.79 0.51 0.15 -2.03 0.00 0.00 175.02 172.82 1x53 s LYS 77 N -3.26 3.51 -0.06 3.16 1.02 -0.50 -0.06 119.74 123.56 1x53 s LYS 77 Ca 0.25 -0.30 -0.04 0.00 0.02 0.00 0.00 55.97 55.90 1x53 s LYS 77 Cb -0.01 -2.70 0.02 0.00 -0.52 0.00 0.00 37.83 34.61 1x53 s LYS 77 CO 0.15 0.22 0.15 -0.46 -0.92 0.00 0.00 175.35 174.49 1x53 s TRP 78 N -2.17 -0.17 0.10 3.18 -0.00 0.92 -3.87 118.94 116.92 1x53 s TRP 78 Ca 0.40 0.43 -0.26 0.00 -0.00 0.00 0.00 56.10 56.66 1x53 s TRP 78 Cb -0.10 0.02 0.08 0.00 -0.00 0.00 0.00 33.47 33.47 1x53 s TRP 78 CO 0.33 -0.10 0.95 -0.98 -0.00 0.00 0.00 176.95 177.15 1x53 s ARG 79 N 0.39 1.04 0.29 5.86 1.70 -1.17 -0.21 118.95 126.85 1x53 s ARG 79 Ca -0.03 -0.53 0.06 0.00 -0.47 0.00 0.00 55.73 54.77 1x53 s ARG 79 Cb -0.04 0.38 -0.02 0.00 -0.57 0.00 0.00 34.95 34.71 1x53 s ARG 79 CO -0.02 -0.47 0.40 -0.06 -1.08 0.00 0.00 175.30 174.07 1x53 s PHE 80 N -3.19 3.24 -1.64 5.89 0.08 -1.26 -3.04 117.98 118.06 1x53 s PHE 80 Ca 0.10 -0.14 0.21 0.00 0.12 0.00 0.00 56.93 57.22 1x53 s PHE 80 Cb -0.01 -1.78 1.12 0.00 -0.57 0.00 0.00 43.02 41.79 1x53 s PHE 80 CO -0.02 0.21 1.65 1.17 -0.10 0.00 0.00 175.22 178.14 1x53 n LYS 81 N -1.51 0.43 -0.00 0.44 0.00 0.40 -2.49 118.16 115.43 1x53 n LYS 81 Ca -0.04 0.06 0.05 0.00 0.00 0.00 0.00 58.31 58.38 1x53 n LYS 81 Cb 0.58 -1.50 -0.08 0.00 0.00 0.00 0.00 35.03 34.03 1x53 n LYS 81 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1x53 n SER 82 N -1.18 2.54 -4.39 3.14 3.41 -1.26 -5.03 113.62 110.85 1x53 n SER 82 Ca 0.12 -0.04 -0.33 0.00 -0.26 0.00 0.00 58.87 58.36 1x53 n SER 82 Cb 0.13 1.44 0.11 0.00 -0.26 0.00 0.00 64.21 65.63 1x53 n SER 82 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1x53 n TRP 83 N -1.82 -1.71 -1.52 7.33 7.02 -1.04 -4.88 117.44 120.82 1x53 n TRP 83 Ca -0.02 0.22 -0.38 0.00 -1.02 0.00 0.00 57.50 56.30 1x53 n TRP 83 Cb 0.26 -1.76 0.05 0.00 -2.42 0.00 0.00 31.31 27.43 1x53 n TRP 83 CO 0.00 0.00 0.00 -2.30 -2.02 0.00 0.00 177.69 173.37 1x53 n PRO 84 N -1.40 0.64 -1.99 -0.99 -0.02 -1.26 -4.84 135.00 125.14 1x53 n PRO 84 Ca 0.06 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 1x53 n PRO 84 Cb 0.54 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 1x53 n PRO 84 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1x53 s GLU 85 N -2.41 3.18 0.00 -0.52 2.12 -1.26 -2.86 118.70 116.95 1x53 s GLU 85 Ca 0.72 1.30 0.00 0.00 0.36 0.00 0.00 54.97 57.35 1x53 s GLU 85 Cb -0.43 -4.24 0.00 0.00 0.26 0.00 0.00 34.13 29.72 1x53 s GLU 85 CO 0.51 -2.05 0.00 0.41 -0.54 0.00 0.00 175.26 173.60 1x53 n GLY 86 N 5.48 0.71 2.65 -1.50 0.00 -1.26 -5.09 105.19 106.19 1x53 n GLY 86 Ca 0.23 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 1x53 n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x53 s HIS 87 N -2.26 -0.02 0.44 1.61 5.04 -1.13 -5.15 115.29 113.82 1x53 s HIS 87 Ca 0.00 -0.32 0.05 0.00 -1.54 0.00 0.00 55.06 53.26 1x53 s HIS 87 Cb 0.00 -0.62 -0.05 0.00 0.04 0.00 0.00 32.58 31.94 1x53 s HIS 87 CO 0.00 -0.71 0.03 -0.06 -2.34 0.00 0.00 174.74 171.66 1x53 s PHE 88 N 2.22 2.31 -0.08 3.88 0.40 -1.26 -4.73 117.98 120.72 1x53 s PHE 88 Ca 0.07 -0.75 0.04 0.00 -0.60 0.00 0.00 56.93 55.69 1x53 s PHE 88 Cb -0.16 -1.75 -0.00 0.00 0.51 0.00 0.00 43.02 41.63 1x53 s PHE 88 CO -0.23 0.34 -0.21 0.00 0.70 0.00 0.00 175.22 175.82 1x53 s ALA 89 N -2.75 1.90 -0.32 5.36 0.00 0.71 -4.80 121.76 121.86 1x53 s ALA 89 Ca 0.27 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 51.10 1x53 s ALA 89 Cb 0.07 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.51 1x53 s ALA 89 CO 0.14 0.28 1.16 0.99 0.00 0.00 0.00 175.76 178.33 1x53 s THR 90 N 0.25 4.35 -0.01 0.00 2.01 -1.13 -0.05 115.64 121.06 1x53 s THR 90 Ca -0.13 1.55 0.06 0.00 0.31 0.00 0.00 61.69 63.48 1x53 s THR 90 Cb -0.16 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 1x53 s THR 90 CO 0.06 -0.50 -0.20 -0.63 -0.69 0.00 0.00 174.62 172.67 1x53 s ILE 91 N 3.94 2.63 -0.30 1.82 1.09 0.91 -0.84 121.20 130.45 1x53 s ILE 91 Ca 0.50 -1.01 -0.02 0.00 -1.10 0.00 0.00 60.65 59.03 1x53 s ILE 91 Cb -0.14 -2.02 0.10 0.00 -1.06 0.00 0.00 42.46 39.34 1x53 s ILE 91 CO 0.19 0.50 0.10 -0.89 -0.10 0.00 0.00 174.94 174.74 1x53 s THR 92 N -0.75 0.67 0.48 2.92 2.01 -0.49 -0.82 115.64 119.66 1x53 s THR 92 Ca 0.12 -1.24 -0.12 0.00 0.31 0.00 0.00 61.69 60.77 1x53 s THR 92 Cb -0.10 -1.50 -0.06 0.00 0.01 0.00 0.00 72.50 70.84 1x53 s THR 92 CO 0.01 -0.67 0.87 -0.76 -0.69 0.00 0.00 174.62 173.39 1x53 s LEU 93 N 1.73 3.65 -0.08 4.42 1.43 0.16 -2.65 118.68 127.33 1x53 s LEU 93 Ca 0.09 1.27 -0.04 0.00 -1.03 0.00 0.00 54.13 54.42 1x53 s LEU 93 Cb -0.17 -4.21 0.04 0.00 0.03 0.00 0.00 46.19 41.88 1x53 s LEU 93 CO -0.27 -0.55 0.18 -0.89 0.23 0.00 0.00 176.35 175.05 1x53 s THR 94 N -2.62 -0.04 -0.23 5.49 2.01 -0.74 -1.11 115.64 118.40 1x53 s THR 94 Ca 0.53 0.14 -0.09 0.00 0.31 0.00 0.00 61.69 62.59 1x53 s THR 94 Cb -0.10 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 1x53 s THR 94 CO 0.37 0.06 0.11 -0.36 -0.69 0.00 0.00 174.62 174.10 1x53 s PHE 95 N 1.02 3.22 0.10 4.92 0.40 -0.87 -1.45 117.98 125.31 1x53 s PHE 95 Ca -0.08 -0.01 0.08 0.00 -0.60 0.00 0.00 56.93 56.32 1x53 s PHE 95 Cb -0.09 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 1x53 s PHE 95 CO -0.06 -0.06 -0.15 0.42 0.70 0.00 0.00 175.22 176.08 1x53 s ILE 96 N 1.11 3.07 -0.23 0.64 1.01 -1.17 -4.75 121.20 120.88 1x53 s ILE 96 Ca 0.06 -1.35 -0.10 0.00 0.00 0.00 0.00 60.65 59.25 1x53 s ILE 96 Cb -0.14 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 1x53 s ILE 96 CO 0.04 0.14 0.15 -0.62 0.00 0.00 0.00 174.94 174.66 1x53 s ASP 97 N -2.06 6.15 -0.02 3.58 -1.08 -1.26 -3.07 116.67 118.90 1x53 s ASP 97 Ca 0.19 0.15 0.03 0.00 -0.52 0.00 0.00 52.55 52.40 1x53 s ASP 97 Cb -0.11 -2.10 0.05 0.00 -1.46 0.00 0.00 42.92 39.30 1x53 s ASP 97 CO 0.11 0.10 0.99 0.29 0.52 0.00 0.00 175.17 177.17 1x53 n LYS 98 N 4.06 2.40 -2.79 4.34 4.76 -0.83 -5.00 118.16 125.10 1x53 n LYS 98 Ca -0.15 -1.60 -0.09 0.00 -2.87 0.00 0.00 58.31 53.60 1x53 n LYS 98 Cb 0.52 -1.04 0.05 0.00 -1.84 0.00 0.00 35.03 32.72 1x53 n LYS 98 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1x53 n ASN 99 N -0.61 -2.08 0.00 4.39 4.05 -1.26 -4.40 115.26 115.34 1x53 n ASN 99 Ca 0.03 -0.34 0.00 0.00 0.45 0.00 0.00 54.58 54.72 1x53 n ASN 99 Cb 0.35 -3.03 0.00 0.00 1.23 0.00 0.00 39.78 38.33 1x53 n ASN 99 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1x53 n GLY 100 N -1.08 2.36 3.13 8.20 0.00 -1.26 -5.12 105.19 111.43 1x53 n GLY 100 Ca -0.15 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 1x53 n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x53 s GLU 101 N 0.00 1.03 -0.23 1.61 2.02 -1.26 -3.33 118.70 118.54 1x53 s GLU 101 Ca 0.00 -0.65 -0.05 0.00 0.02 0.00 0.00 54.97 54.29 1x53 s GLU 101 Cb 0.00 -1.03 -0.01 0.00 0.10 0.00 0.00 34.13 33.19 1x53 s GLU 101 CO 0.00 0.27 -0.01 0.99 0.02 0.00 0.00 175.26 176.53 1x53 s THR 102 N -0.62 3.63 -0.57 3.63 2.01 0.23 -1.96 115.64 121.99 1x53 s THR 102 Ca 0.03 -0.43 -0.21 0.00 0.31 0.00 0.00 61.69 61.40 1x53 s THR 102 Cb -0.07 -2.68 0.07 0.00 0.01 0.00 0.00 72.50 69.83 1x53 s THR 102 CO 0.01 0.38 0.77 -0.70 -0.69 0.00 0.00 174.62 174.39 1x53 s GLU 103 N 1.51 3.13 -0.62 4.92 2.12 -1.17 0.16 118.70 128.73 1x53 s GLU 103 Ca 0.06 -0.92 -0.25 0.00 0.36 0.00 0.00 54.97 54.22 1x53 s GLU 103 Cb -0.15 -4.17 0.05 0.00 0.26 0.00 0.00 34.13 30.12 1x53 s GLU 103 CO -0.01 -1.49 1.05 -1.17 -0.54 0.00 0.00 175.26 173.10 1x53 s LEU 104 N 3.16 3.90 -0.40 2.70 2.96 -0.70 -3.04 118.68 127.25 1x53 s LEU 104 Ca 0.18 -0.49 -0.23 0.00 -0.22 0.00 0.00 54.13 53.37 1x53 s LEU 104 Cb -0.19 -2.70 0.02 0.00 0.50 0.00 0.00 46.19 43.81 1x53 s LEU 104 CO 0.11 -1.45 0.76 0.00 -1.32 0.00 0.00 176.35 174.45 1x53 s MET 106 N 3.12 3.98 -0.33 0.00 1.75 0.21 -1.78 119.30 126.25 1x53 s MET 106 Ca 0.29 0.03 -0.01 0.00 -1.25 0.00 0.00 55.69 54.75 1x53 s MET 106 Cb -0.13 -3.33 0.11 0.00 2.84 0.00 0.00 34.83 34.32 1x53 s MET 106 CO 0.19 0.46 0.13 -2.00 -0.65 0.00 0.00 175.02 173.15 1x53 s GLU 107 N -0.18 0.67 -0.06 4.11 2.12 -1.09 -0.82 118.70 123.45 1x53 s GLU 107 Ca 0.16 -1.12 -0.01 0.00 0.36 0.00 0.00 54.97 54.36 1x53 s GLU 107 Cb -0.13 -1.81 -0.03 0.00 0.26 0.00 0.00 34.13 32.42 1x53 s GLU 107 CO 0.04 -1.04 0.00 0.20 -0.54 0.00 0.00 175.26 173.93 1x53 s GLY 108 N 1.49 1.86 -0.16 -1.50 0.00 -0.98 -1.40 107.32 106.63 1x53 s GLY 108 Ca 0.11 -0.84 -0.04 0.00 0.00 0.00 0.00 44.72 43.95 1x53 s GLY 108 CO -0.22 -0.63 0.12 1.09 0.00 0.00 0.00 173.10 173.46 1x53 s ARG 109 N -1.06 0.07 0.00 2.90 3.03 -0.02 -0.67 118.95 123.21 1x53 s ARG 109 Ca 0.15 0.06 0.00 0.00 2.03 0.00 0.00 55.73 57.97 1x53 s ARG 109 Cb -0.11 -1.50 0.00 0.00 -1.03 0.00 0.00 34.95 32.31 1x53 s ARG 109 CO 0.04 -0.62 0.00 0.41 -1.13 0.00 0.00 175.30 174.01 1x53 n GLY 110 N 5.29 -0.43 3.66 3.88 0.00 -1.13 -2.85 105.19 113.62 1x53 n GLY 110 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1x53 n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x53 s ILE 111 N -0.52 3.82 -0.19 -0.61 1.09 -1.09 -4.62 121.20 119.09 1x53 s ILE 111 Ca 0.00 0.99 -0.39 0.00 -1.10 0.00 0.00 60.65 60.15 1x53 s ILE 111 Cb 0.00 -3.64 -0.16 0.00 -1.06 0.00 0.00 42.46 37.60 1x53 s ILE 111 CO 0.00 -0.09 1.64 -2.65 -0.10 0.00 0.00 174.94 173.74 1x53 n PRO 112 N 6.95 1.14 -0.28 2.79 -0.02 -1.26 0.47 135.00 144.79 1x53 n PRO 112 Ca 0.16 0.42 0.09 0.00 -2.02 0.00 0.00 63.50 62.15 1x53 n PRO 112 Cb 0.43 -2.09 0.23 0.00 -0.02 0.00 0.00 33.50 32.05 1x53 n PRO 112 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x53 h ALA 113 N 6.54 1.06 -0.66 3.55 0.00 -1.19 1.04 119.26 129.59 1x53 h ALA 113 Ca -0.47 0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.74 1x53 h ALA 113 Cb 1.32 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 1x53 h ALA 113 CO 0.91 -0.42 0.44 -1.35 0.00 0.00 0.00 179.25 178.83 1x53 h PRO 114 N 0.19 0.57 -0.34 0.00 0.11 -1.88 -1.17 132.00 129.48 1x53 h PRO 114 Ca 0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1x53 h PRO 114 Cb 0.91 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1x53 h PRO 114 CO -0.63 0.38 0.00 0.39 -0.21 0.00 0.00 178.00 177.93 1x53 n GLU 115 N -4.48 2.26 -0.07 1.05 1.02 0.89 -4.61 120.64 116.70 1x53 n GLU 115 Ca 0.10 -2.03 -0.07 0.00 -0.02 0.00 0.00 57.16 55.14 1x53 n GLU 115 Cb 0.30 -1.38 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 1x53 n GLU 115 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1x53 h GLU 116 N 3.18 -0.20 0.47 3.49 4.81 0.22 0.54 114.58 127.10 1x53 h GLU 116 Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1x53 h GLU 116 Cb 0.80 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1x53 h GLU 116 CO 0.00 -0.13 -0.23 1.49 -0.73 0.00 0.00 179.01 179.41 1x53 h GLU 117 N -0.21 -0.61 -1.00 1.92 4.81 -1.82 -2.17 114.58 115.51 1x53 h GLU 117 Ca 0.16 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.56 1x53 h GLU 117 Cb 0.45 0.14 -0.15 0.00 0.63 0.00 0.00 28.75 29.82 1x53 h GLU 117 CO -0.42 -0.41 -0.45 -2.13 -0.73 0.00 0.00 179.01 174.88 1x53 n ARG 118 N -3.95 -0.29 0.01 1.92 0.63 -1.16 -0.17 116.66 113.64 1x53 n ARG 118 Ca -0.08 1.52 -0.01 0.00 -0.92 0.00 0.00 57.85 58.37 1x53 n ARG 118 Cb 0.25 -2.26 -0.00 0.00 0.45 0.00 0.00 32.46 30.90 1x53 n ARG 118 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1x53 h THR 119 N 0.00 0.00 0.00 5.15 2.02 -0.91 0.68 112.91 119.85 1x53 h THR 119 Ca 0.29 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.47 1x53 h THR 119 Cb 0.54 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1x53 h THR 119 CO -0.97 0.00 0.56 -0.09 0.37 0.00 0.00 175.52 175.38 1x53 h ARG 120 N -0.03 0.00 0.12 6.66 2.43 -0.70 0.78 114.38 123.64 1x53 h ARG 120 Ca -0.00 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.83 1x53 h ARG 120 Cb 0.03 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1x53 h ARG 120 CO -0.01 0.00 -1.83 1.96 -1.51 0.00 0.00 179.97 178.58 1x53 h GLN 121 N 0.00 0.25 -0.43 0.20 1.08 0.11 -3.37 115.11 112.95 1x53 h GLN 121 Ca 0.00 -0.42 -0.05 0.00 -1.45 0.00 0.00 58.65 56.73 1x53 h GLN 121 Cb 1.11 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 28.67 1x53 h GLN 121 CO 0.00 1.11 0.04 0.41 -0.95 0.00 0.00 178.83 179.44 1x53 n GLY 122 N 1.85 3.74 0.03 3.46 0.00 0.22 -4.27 105.19 110.22 1x53 n GLY 122 Ca -0.26 -1.02 -0.02 0.00 0.00 0.00 0.00 46.02 44.72 1x53 n GLY 122 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1x53 n TRP 123 N -0.17 0.23 0.09 1.61 -0.00 0.20 -4.50 117.44 114.90 1x53 n TRP 123 Ca 0.27 0.10 -0.02 0.00 -0.00 0.00 0.00 57.50 57.85 1x53 n TRP 123 Cb 1.07 -0.36 0.24 0.00 -0.00 0.00 0.00 31.31 32.26 1x53 n TRP 123 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 1x53 h GLN 124 N -0.39 0.26 -0.98 5.87 4.20 -1.82 0.20 115.11 122.45 1x53 h GLN 124 Ca 0.00 -0.12 0.28 0.00 0.06 0.00 0.00 58.65 58.88 1x53 h GLN 124 Cb 0.27 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 1x53 h GLN 124 CO 0.00 0.60 0.90 0.00 -0.67 0.00 0.00 178.83 179.66 1x53 h ARG 125 N 0.22 0.00 0.00 1.46 3.08 -1.80 0.18 114.38 117.52 1x53 h ARG 125 Ca 0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1x53 h ARG 125 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1x53 h ARG 125 CO 0.06 0.00 -1.20 0.66 -1.07 0.00 0.00 179.97 178.41 1x53 n TYR 126 N -3.71 0.00 0.12 3.04 4.01 -1.10 -3.29 117.16 116.23 1x53 n TYR 126 Ca 0.21 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.90 1x53 n TYR 126 Cb 1.22 -0.14 -0.02 0.00 -0.31 0.00 0.00 39.34 40.08 1x53 n TYR 126 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1x53 h TYR 127 N 0.00 -0.29 0.00 -0.72 -1.99 -0.19 -3.30 116.97 110.48 1x53 h TYR 127 Ca -0.08 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.64 1x53 h TYR 127 Cb 1.16 0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.98 1x53 h TYR 127 CO 0.00 -0.18 -0.13 1.19 -0.00 0.00 0.00 178.16 179.04 1x53 n PHE 128 N -3.06 0.11 -0.35 4.88 3.72 -0.33 -3.68 117.46 118.75 1x53 n PHE 128 Ca -0.04 0.05 0.29 0.00 -0.05 0.00 0.00 57.45 57.70 1x53 n PHE 128 Cb 0.12 -0.26 0.49 0.00 -0.94 0.00 0.00 39.48 38.89 1x53 n PHE 128 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1x53 n GLU 129 N -2.75 -0.02 0.01 -1.08 -0.58 0.50 -0.42 120.64 116.30 1x53 n GLU 129 Ca -0.02 0.85 -0.01 0.00 -0.42 0.00 0.00 57.16 57.56 1x53 n GLU 129 Cb 0.07 -1.71 -0.00 0.00 -0.57 0.00 0.00 31.44 29.22 1x53 n GLU 129 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1x53 h GLY 130 N 0.00 -0.05 -0.16 0.62 0.00 -1.63 -3.26 103.07 98.59 1x53 h GLY 130 Ca 0.62 0.02 0.19 0.00 0.00 0.00 0.00 47.33 48.16 1x53 h GLY 130 CO -0.27 -0.02 0.28 -2.22 0.00 0.00 0.00 176.54 174.31 1x53 h ILE 131 N -0.14 0.48 -0.67 2.60 2.04 -1.05 0.63 117.51 121.40 1x53 h ILE 131 Ca -0.01 -0.11 0.19 0.00 1.00 0.00 0.00 64.86 65.94 1x53 h ILE 131 Cb 0.04 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.21 1x53 h ILE 131 CO 0.01 0.06 0.60 0.11 0.00 0.00 0.00 178.15 178.93 1x53 h LYS 132 N 0.33 0.00 0.00 2.37 1.57 -0.88 0.21 116.57 120.18 1x53 h LYS 132 Ca 0.49 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 59.04 1x53 h LYS 132 Cb 0.89 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 1x53 h LYS 132 CO -0.53 0.00 -1.76 1.04 -0.57 0.00 0.00 179.45 177.63 1x53 n GLN 133 N -3.88 0.56 0.07 3.15 1.13 0.18 -1.57 117.38 117.01 1x53 n GLN 133 Ca 0.13 0.23 -0.13 0.00 -1.94 0.00 0.00 57.00 55.30 1x53 n GLN 133 Cb 0.85 -1.45 -0.06 0.00 0.11 0.00 0.00 30.24 29.69 1x53 n GLN 133 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1x53 h THR 134 N -0.99 0.22 0.00 5.09 2.02 -0.25 -2.72 112.91 116.28 1x53 h THR 134 Ca -0.35 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.74 1x53 h THR 134 Cb 1.30 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1x53 h THR 134 CO -0.21 0.00 -0.91 -0.26 0.37 0.00 0.00 175.52 174.51 1x53 h PHE 135 N -0.54 0.00 -0.64 3.16 -1.00 -0.83 -3.48 116.94 113.62 1x53 h PHE 135 Ca 0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1x53 h PHE 135 Cb 0.61 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.17 1x53 h PHE 135 CO -0.38 0.37 0.00 0.41 -1.61 0.00 0.00 178.31 177.10 1x53 n GLY 136 N 1.27 0.95 2.08 -1.45 0.00 -0.75 -4.98 105.19 102.31 1x53 n GLY 136 Ca -0.03 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 1x53 n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x53 n TYR 137 N -2.04 2.73 -3.75 1.61 4.01 -0.61 -4.83 117.16 114.29 1x53 n TYR 137 Ca 0.00 -1.59 -0.24 0.00 -0.16 0.00 0.00 57.90 55.91 1x53 n TYR 137 Cb 0.37 -0.83 -0.01 0.00 -0.31 0.00 0.00 39.34 38.56 1x53 n TYR 137 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1x53 s GLY 138 N -1.27 2.25 0.00 2.72 0.00 -0.87 -1.49 107.32 108.66 1x53 s GLY 138 Ca 0.56 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1x53 s GLY 138 CO 0.11 -1.85 0.00 0.00 0.00 0.00 0.00 173.10 171.37 1x53 n ALA 139 N -1.69 2.92 -1.69 3.20 0.00 -1.26 -4.72 120.51 117.27 1x53 n ALA 139 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 1x53 n ALA 139 Cb 0.63 0.32 0.19 0.00 0.00 0.00 0.00 19.45 20.59 1x53 n ALA 139 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1x53 s SER 140 N -4.90 2.69 0.39 0.00 1.04 -1.26 -5.10 113.70 106.56 1x53 s SER 140 Ca 0.00 0.44 0.05 0.00 0.48 0.00 0.00 55.95 56.93 1x53 s SER 140 Cb 0.00 -0.60 -0.02 0.00 0.10 0.00 0.00 66.02 65.50 1x53 s SER 140 CO 0.00 -3.01 0.20 -0.83 0.98 0.00 0.00 173.24 170.58 1x53 s GLY 141 N -4.56 2.58 1.04 7.32 0.00 -1.26 -5.12 107.32 107.32 1x53 s GLY 141 Ca 0.72 -1.51 -0.21 0.00 0.00 0.00 0.00 44.72 43.71 1x53 s GLY 141 CO 0.54 -1.69 -0.65 -1.05 0.00 0.00 0.00 173.10 170.24 1x53 n PRO 142 N -0.83 -0.63 -2.43 2.90 -0.02 -1.26 -4.95 135.00 127.77 1x53 n PRO 142 Ca -0.01 -0.17 -0.15 0.00 -2.02 0.00 0.00 63.50 61.15 1x53 n PRO 142 Cb 0.64 -1.36 0.03 0.00 -0.02 0.00 0.00 33.50 32.78 1x53 n PRO 142 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1x53 n SER 143 N 1.02 3.41 -4.41 2.55 7.64 -1.26 -5.00 113.62 117.57 1x53 n SER 143 Ca -0.00 -3.07 -0.45 0.00 1.01 0.00 0.00 58.87 56.36 1x53 n SER 143 Cb 0.66 -0.43 -0.02 0.00 -1.01 0.00 0.00 64.21 63.41 1x53 n SER 143 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x53 s SER 144 N -3.60 6.74 0.00 6.43 0.01 -1.26 -5.38 113.70 116.64 1x53 s SER 144 Ca 0.40 -2.38 0.13 0.00 1.31 0.00 0.00 55.95 55.41 1x53 s SER 144 Cb 0.39 -2.34 0.10 0.00 0.21 0.00 0.00 66.02 64.38 1x53 s SER 144 CO -0.02 -0.86 0.90 0.61 0.41 0.00 0.00 173.24 174.28