#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k73 s LYS 2 N 0.00 3.80 -0.14 4.33 -0.14 -1.26 -4.98 119.74 121.35 1k73 s LYS 2 Ca 0.00 1.06 0.04 0.00 -1.36 0.00 0.00 55.97 55.71 1k73 s LYS 2 Cb 0.00 -2.11 -0.11 0.00 -1.68 0.00 0.00 37.83 33.93 1k73 s LYS 2 CO 0.00 -0.40 -0.08 2.41 -0.76 0.00 0.00 175.35 176.52 1k73 n THR 3 N -1.58 0.83 -2.01 2.17 -1.04 -1.26 -4.94 114.28 106.45 1k73 n THR 3 Ca 0.07 -0.38 -0.43 0.00 -2.04 0.00 0.00 64.05 61.28 1k73 n THR 3 Cb 0.54 -0.92 -0.03 0.00 -1.82 0.00 0.00 70.33 68.10 1k73 n THR 3 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1k73 s ASN 4 N -5.12 6.37 0.46 8.00 3.84 -1.26 -4.87 114.94 122.36 1k73 s ASN 4 Ca -0.16 1.86 0.15 0.00 0.21 0.00 0.00 52.86 54.92 1k73 s ASN 4 Cb 0.05 -2.53 1.05 0.00 -0.55 0.00 0.00 41.25 39.26 1k73 s ASN 4 CO 0.38 -1.23 2.01 -0.65 -2.79 0.00 0.00 177.10 174.83 1k73 h PRO 5 N 10.81 0.00 -0.02 0.43 0.11 -1.99 -1.11 132.00 140.23 1k73 h PRO 5 Ca -0.37 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 1k73 h PRO 5 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1k73 h PRO 5 CO 0.98 0.16 -0.03 0.00 -0.21 0.00 0.00 178.00 178.90 1k73 h ARG 6 N 0.00 0.06 -0.92 1.05 3.08 -1.99 -0.76 114.38 114.90 1k73 h ARG 6 Ca -0.00 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.04 1k73 h ARG 6 Cb 0.28 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 1k73 h ARG 6 CO 0.02 0.57 0.61 1.25 -1.07 0.00 0.00 179.97 181.35 1k73 h LEU 7 N -0.44 1.02 0.05 3.04 5.85 -1.92 0.65 115.31 123.56 1k73 h LEU 7 Ca 0.00 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1k73 h LEU 7 Cb 0.57 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1k73 h LEU 7 CO 0.01 0.71 -0.03 -1.28 -0.34 0.00 0.00 178.44 177.51 1k73 h SER 8 N 1.19 -0.08 -0.60 1.25 0.87 -1.02 -1.94 113.55 113.23 1k73 h SER 8 Ca 0.35 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.87 1k73 h SER 8 Cb -0.04 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 1k73 h SER 8 CO -0.10 -0.05 0.19 0.28 -0.53 0.00 0.00 176.83 176.62 1k73 h SER 9 N -0.08 0.86 -0.45 6.23 0.02 -0.56 -2.30 113.55 117.27 1k73 h SER 9 Ca -0.00 -0.20 0.06 0.00 -0.84 0.00 0.00 61.79 60.81 1k73 h SER 9 Cb 0.07 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.33 1k73 h SER 9 CO 0.01 0.83 0.14 0.25 -1.14 0.00 0.00 176.83 176.92 1k73 h LEU 10 N 0.84 0.13 -0.41 5.07 5.85 -0.77 0.17 115.31 126.19 1k73 h LEU 10 Ca 0.19 0.06 0.05 0.00 0.84 0.00 0.00 57.88 59.02 1k73 h LEU 10 Cb 0.27 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1k73 h LEU 10 CO -0.01 0.11 0.16 0.40 -0.34 0.00 0.00 178.44 178.75 1k73 h ILE 11 N 0.31 0.89 -0.53 4.05 2.04 -1.10 0.20 117.51 123.37 1k73 h ILE 11 Ca 0.22 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 1k73 h ILE 11 Cb 0.23 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1k73 h ILE 11 CO -0.23 0.06 0.12 0.00 0.00 0.00 0.00 178.15 178.10 1k73 h ALA 12 N 1.26 1.22 -0.37 1.87 0.00 -0.79 -2.21 119.26 120.25 1k73 h ALA 12 Ca 0.19 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1k73 h ALA 12 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1k73 h ALA 12 CO -0.18 0.54 -0.37 -0.44 0.00 0.00 0.00 179.25 178.80 1k73 h ASP 13 N 0.78 0.91 -0.62 0.00 3.32 -0.30 -1.26 116.42 119.25 1k73 h ASP 13 Ca 0.17 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1k73 h ASP 13 Cb 0.30 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1k73 h ASP 13 CO -0.00 1.17 0.40 -0.07 -1.72 0.00 0.00 179.24 179.02 1k73 h LEU 14 N 0.71 0.72 0.14 1.55 3.38 -0.14 -2.41 115.31 119.26 1k73 h LEU 14 Ca 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1k73 h LEU 14 Cb 0.94 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1k73 h LEU 14 CO 0.09 0.53 -0.07 0.11 0.09 0.00 0.00 178.44 179.19 1k73 h LYS 15 N 0.84 -0.19 -0.92 1.13 1.57 -1.18 -2.35 116.57 115.48 1k73 h LYS 15 Ca 0.23 0.01 0.26 0.00 -1.87 0.00 0.00 60.65 59.28 1k73 h LYS 15 Cb -0.08 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1k73 h LYS 15 CO -0.05 0.22 0.65 1.03 -0.57 0.00 0.00 179.45 180.73 1k73 h SER 16 N -0.65 0.08 0.36 0.86 0.87 -0.93 0.13 113.55 114.26 1k73 h SER 16 Ca -0.02 0.01 -0.32 0.00 -1.23 0.00 0.00 61.79 60.23 1k73 h SER 16 Cb 0.49 -0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.46 1k73 h SER 16 CO 0.03 0.03 -1.50 0.00 -0.53 0.00 0.00 176.83 174.86 1k73 h ALA 17 N 1.56 0.02 0.00 6.23 0.00 -1.41 -2.57 119.26 123.08 1k73 h ALA 17 Ca 0.45 -0.96 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1k73 h ALA 17 Cb 1.65 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1k73 h ALA 17 CO -0.04 0.89 -0.29 0.00 0.00 0.00 0.00 179.25 179.80 1k73 h ALA 18 N 0.29 1.03 0.00 0.00 0.00 -0.47 -1.81 119.26 118.29 1k73 h ALA 18 Ca -0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1k73 h ALA 18 Cb 2.10 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.84 1k73 h ALA 18 CO 0.23 0.36 -0.10 0.00 0.00 0.00 0.00 179.25 179.74 1k73 h ARG 19 N 0.00 0.00 0.00 0.00 3.08 -1.25 -3.37 114.38 112.84 1k73 h ARG 19 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1k73 h ARG 19 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1k73 h ARG 19 CO 0.04 0.12 0.00 0.43 -1.07 0.00 0.00 179.97 179.49 1k73 n SER 20 N -4.73 0.00 -4.43 7.04 7.64 -0.97 -4.71 113.62 113.46 1k73 n SER 20 Ca -0.03 0.95 -0.29 0.00 1.01 0.00 0.00 58.87 60.52 1k73 n SER 20 Cb 0.10 -0.46 0.21 0.00 -1.01 0.00 0.00 64.21 63.06 1k73 n SER 20 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1k73 s SER 21 N -2.01 1.66 0.00 6.43 0.01 -0.68 -4.89 113.70 114.23 1k73 s SER 21 Ca 0.00 1.13 0.19 0.00 1.31 0.00 0.00 55.95 58.58 1k73 s SER 21 Cb 0.00 -1.75 1.14 0.00 0.21 0.00 0.00 66.02 65.62 1k73 s SER 21 CO 0.00 -3.72 1.72 0.61 0.41 0.00 0.00 173.24 172.25 1k73 n GLY 22 N -0.47 -0.97 3.52 3.44 0.00 -1.26 -4.59 105.19 104.86 1k73 n GLY 22 Ca 0.06 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1k73 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k73 n GLY 23 N 0.76 -1.00 0.00 -0.02 0.00 -1.20 -4.92 105.19 98.81 1k73 n GLY 23 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1k73 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k73 n ALA 24 N -1.39 1.37 -0.04 4.61 0.00 -1.26 -4.57 120.51 119.22 1k73 n ALA 24 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 1k73 n ALA 24 Cb 0.45 0.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 1k73 n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1k73 h VAL 25 N 0.00 1.27 -0.64 0.00 -1.51 -1.90 -1.62 116.25 111.85 1k73 h VAL 25 Ca 0.00 -0.88 0.12 0.00 -1.23 0.00 0.00 66.70 64.71 1k73 h VAL 25 Cb 0.37 1.61 -0.09 0.00 -2.13 0.00 0.00 31.29 31.05 1k73 h VAL 25 CO 0.00 0.25 0.16 -0.50 -1.23 0.00 0.00 177.57 176.25 1k73 h TRP 26 N -0.06 0.26 -0.58 5.19 -0.00 -1.86 0.65 115.95 119.55 1k73 h TRP 26 Ca 0.03 0.04 -0.07 0.00 -0.00 0.00 0.00 58.89 58.89 1k73 h TRP 26 Cb 0.40 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.16 29.52 1k73 h TRP 26 CO 0.04 -0.02 0.07 0.78 -0.00 0.00 0.00 178.44 179.32 1k73 h GLY 27 N 0.29 1.02 0.97 1.49 0.00 -1.69 0.61 103.07 105.76 1k73 h GLY 27 Ca 0.34 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1k73 h GLY 27 CO -0.41 0.62 0.17 -1.80 0.00 0.00 0.00 176.54 175.11 1k73 h ASP 28 N 0.89 0.70 -0.04 0.19 3.58 0.09 -1.70 116.42 120.12 1k73 h ASP 28 Ca 0.18 -0.19 -0.11 0.00 0.42 0.00 0.00 57.03 57.32 1k73 h ASP 28 Cb 0.42 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1k73 h ASP 28 CO 0.01 0.70 -0.32 0.58 -2.88 0.00 0.00 179.24 177.34 1k73 h VAL 29 N 0.66 1.28 -0.60 2.25 2.07 0.51 -2.42 116.25 120.00 1k73 h VAL 29 Ca 0.16 -1.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.20 1k73 h VAL 29 Cb 0.24 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1k73 h VAL 29 CO -0.01 0.45 0.12 0.00 0.02 0.00 0.00 177.57 178.14 1k73 h ALA 30 N 1.22 0.80 -0.17 1.67 0.00 -0.57 -1.90 119.26 120.30 1k73 h ALA 30 Ca 0.05 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1k73 h ALA 30 Cb 0.77 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1k73 h ALA 30 CO 0.06 0.53 -0.37 0.93 0.00 0.00 0.00 179.25 180.40 1k73 h GLU 31 N 0.89 0.37 -0.01 0.00 5.08 -1.07 -2.05 114.58 117.79 1k73 h GLU 31 Ca 0.18 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 1k73 h GLU 31 Cb 0.40 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1k73 h GLU 31 CO 0.01 0.70 -0.68 -0.09 -1.00 0.00 0.00 179.01 177.94 1k73 h ARG 32 N 0.32 0.05 0.00 2.33 9.65 -1.09 -2.66 114.38 122.97 1k73 h ARG 32 Ca 0.03 -0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 1k73 h ARG 32 Cb 0.81 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 1k73 h ARG 32 CO 0.06 0.71 -0.47 -0.07 2.80 0.00 0.00 179.97 183.00 1k73 h LEU 33 N 0.03 0.00 -1.07 3.80 3.38 -1.14 -2.31 115.31 118.00 1k73 h LEU 33 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1k73 h LEU 33 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1k73 h LEU 33 CO 0.09 0.47 -0.31 -0.33 0.09 0.00 0.00 178.44 178.45 1k73 h GLU 34 N 0.00 0.00 -7.35 1.13 5.08 -1.04 -3.44 114.58 108.95 1k73 h GLU 34 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.85 1k73 h GLU 34 Cb 1.10 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.47 1k73 h GLU 34 CO 0.06 0.31 0.33 0.15 -1.00 0.00 0.00 179.01 178.86 1k73 s LYS 35 N -3.69 2.29 0.20 2.33 1.02 -0.87 -4.95 119.74 116.07 1k73 s LYS 35 Ca -0.00 0.90 -0.31 0.00 0.02 0.00 0.00 55.97 56.59 1k73 s LYS 35 Cb 0.11 -1.92 -0.16 0.00 -0.52 0.00 0.00 37.83 35.34 1k73 s LYS 35 CO 0.67 -1.55 0.94 -2.30 -0.92 0.00 0.00 175.35 172.19 1k73 n PRO 36 N -3.42 0.84 -0.37 -1.68 -0.02 -1.26 -4.84 135.00 124.25 1k73 n PRO 36 Ca 0.08 0.30 0.30 0.00 -2.02 0.00 0.00 63.50 62.15 1k73 n PRO 36 Cb 0.54 -1.62 0.61 0.00 -0.02 0.00 0.00 33.50 33.01 1k73 n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k73 h ARG 37 N 2.28 0.21 0.00 -0.52 3.08 -1.92 0.92 114.38 118.43 1k73 h ARG 37 Ca -0.39 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.64 1k73 h ARG 37 Cb 1.37 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 1k73 h ARG 37 CO 0.63 0.14 -0.08 0.07 -1.07 0.00 0.00 179.97 179.67 1k73 h ARG 38 N 0.22 0.00 -0.00 0.04 0.11 -2.00 -1.34 114.38 111.41 1k73 h ARG 38 Ca 0.66 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.74 1k73 h ARG 38 Cb 2.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.10 1k73 h ARG 38 CO -0.25 0.08 -0.50 0.25 0.10 0.00 0.00 179.97 179.64 1k73 n THR 39 N -3.53 0.00 -1.26 0.08 -2.24 0.32 -4.92 114.28 102.73 1k73 n THR 39 Ca -0.02 -0.02 -0.32 0.00 -2.27 0.00 0.00 64.05 61.42 1k73 n THR 39 Cb 0.20 0.31 0.10 0.00 -2.10 0.00 0.00 70.33 68.85 1k73 n THR 39 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1k73 s HIS 40 N -2.94 2.16 0.35 4.78 3.76 -0.51 -4.96 115.29 117.93 1k73 s HIS 40 Ca 0.12 1.63 -0.26 0.00 -0.15 0.00 0.00 55.06 56.41 1k73 s HIS 40 Cb 0.18 -3.29 -0.09 0.00 1.11 0.00 0.00 32.58 30.49 1k73 s HIS 40 CO 0.69 -2.31 1.07 0.00 -0.85 0.00 0.00 174.74 173.33 1k73 s ALA 41 N -2.43 3.20 -0.34 -1.40 0.00 -1.03 -4.95 121.76 114.80 1k73 s ALA 41 Ca 0.68 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 53.41 1k73 s ALA 41 Cb -0.23 -3.29 0.13 0.00 0.00 0.00 0.00 23.12 19.73 1k73 s ALA 41 CO 0.50 -0.20 0.19 -1.21 0.00 0.00 0.00 175.76 175.05 1k73 s GLU 42 N -2.10 0.55 -0.12 0.00 2.02 -1.25 -0.44 118.70 117.36 1k73 s GLU 42 Ca 0.53 -1.21 -0.03 0.00 0.02 0.00 0.00 54.97 54.28 1k73 s GLU 42 Cb -0.26 -1.39 -0.03 0.00 0.10 0.00 0.00 34.13 32.55 1k73 s GLU 42 CO 0.33 -1.16 -0.00 0.08 0.02 0.00 0.00 175.26 174.53 1k73 s VAL 43 N 1.25 4.24 0.46 2.63 1.01 -0.54 -4.92 120.40 124.53 1k73 s VAL 43 Ca 0.16 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1k73 s VAL 43 Cb -0.21 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1k73 s VAL 43 CO -0.08 0.56 0.68 0.20 0.00 0.00 0.00 175.10 176.45 1k73 s ASN 44 N -0.38 5.72 0.48 3.32 0.01 -1.26 0.15 114.94 122.99 1k73 s ASN 44 Ca 0.07 0.17 0.13 0.00 -0.71 0.00 0.00 52.86 52.52 1k73 s ASN 44 Cb -0.12 -1.35 1.12 0.00 0.41 0.00 0.00 41.25 41.32 1k73 s ASN 44 CO 0.02 -0.78 2.11 -0.07 -1.51 0.00 0.00 177.10 176.87 1k73 h LEU 45 N 0.37 0.13 -1.73 0.60 3.38 -0.82 -2.79 115.31 114.45 1k73 h LEU 45 Ca -0.45 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.59 1k73 h LEU 45 Cb 1.26 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1k73 h LEU 45 CO 0.56 0.12 0.33 1.23 0.09 0.00 0.00 178.44 180.76 1k73 h GLY 46 N 0.21 0.42 1.12 0.83 0.00 -1.75 -0.41 103.07 103.48 1k73 h GLY 46 Ca 0.04 -0.13 -0.30 0.00 0.00 0.00 0.00 47.33 46.94 1k73 h GLY 46 CO -0.01 0.09 -1.33 -0.09 0.00 0.00 0.00 176.54 175.20 1k73 h ARG 47 N 0.32 0.49 -0.88 4.80 2.43 -1.83 -2.87 114.38 116.85 1k73 h ARG 47 Ca 0.22 -0.83 -0.00 0.00 -0.81 0.00 0.00 59.98 58.55 1k73 h ARG 47 Cb 0.44 0.31 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 1k73 h ARG 47 CO -0.05 1.40 0.53 0.82 -1.51 0.00 0.00 179.97 181.16 1k73 h ILE 48 N 0.02 1.24 -0.16 1.20 2.04 -1.42 -1.57 117.51 118.87 1k73 h ILE 48 Ca -0.23 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 1k73 h ILE 48 Cb 2.05 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1k73 h ILE 48 CO 0.25 0.25 -0.11 -0.08 0.00 0.00 0.00 178.15 178.46 1k73 h GLU 49 N 1.20 0.24 0.00 2.37 4.57 -1.16 -0.83 114.58 120.97 1k73 h GLU 49 Ca 0.32 -0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 58.28 1k73 h GLU 49 Cb -0.06 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 1k73 h GLU 49 CO -0.06 0.37 -0.79 -0.09 -1.18 0.00 0.00 179.01 177.25 1k73 h ARG 50 N 0.23 0.00 0.00 1.92 2.43 -1.06 -3.36 114.38 114.54 1k73 h ARG 50 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1k73 h ARG 50 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1k73 h ARG 50 CO 0.02 0.78 0.00 0.66 -1.51 0.00 0.00 179.97 179.92 1k73 n TYR 51 N -3.29 0.00 -2.86 2.20 4.02 -1.00 -5.05 117.16 111.17 1k73 n TYR 51 Ca 0.01 -0.15 -0.22 0.00 -0.01 0.00 0.00 57.90 57.52 1k73 n TYR 51 Cb 0.85 -0.02 0.02 0.00 -0.02 0.00 0.00 39.34 40.18 1k73 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1k73 s ALA 52 N -0.31 3.80 -0.04 -0.72 0.00 -0.32 -5.08 121.76 119.08 1k73 s ALA 52 Ca 0.00 -1.14 -0.09 0.00 0.00 0.00 0.00 51.96 50.73 1k73 s ALA 52 Cb 0.00 -2.13 0.01 0.00 0.00 0.00 0.00 23.12 21.01 1k73 s ALA 52 CO 0.00 -0.51 0.21 1.14 0.00 0.00 0.00 175.76 176.60 1k73 s GLN 53 N -4.63 0.40 0.63 0.00 -2.07 -1.26 -4.98 119.66 107.76 1k73 s GLN 53 Ca 0.51 -0.02 -0.18 0.00 -1.82 0.00 0.00 55.36 53.86 1k73 s GLN 53 Cb -0.10 0.18 -0.02 0.00 -1.09 0.00 0.00 33.01 31.97 1k73 s GLN 53 CO 0.38 -0.08 1.18 0.39 -1.32 0.00 0.00 175.29 175.84 1k73 n GLU 54 N 2.17 1.04 -1.04 9.60 1.02 -1.26 -2.42 120.64 129.75 1k73 n GLU 54 Ca -0.18 0.41 -0.01 0.00 -0.02 0.00 0.00 57.16 57.36 1k73 n GLU 54 Cb 0.57 -2.41 -0.01 0.00 -0.02 0.00 0.00 31.44 29.58 1k73 n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1k73 n ASP 55 N -1.51 -4.72 -3.95 1.62 8.00 -1.26 -4.96 116.55 109.78 1k73 n ASP 55 Ca 0.15 0.04 -0.30 0.00 0.71 0.00 0.00 54.79 55.39 1k73 n ASP 55 Cb 0.48 -2.34 -0.16 0.00 -0.02 0.00 0.00 41.12 39.08 1k73 n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1k73 s GLU 56 N -1.38 1.76 0.01 -1.24 2.12 -1.01 -4.96 118.70 113.99 1k73 s GLU 56 Ca 0.00 -0.85 -0.30 0.00 0.36 0.00 0.00 54.97 54.18 1k73 s GLU 56 Cb 0.00 -2.42 -0.06 0.00 0.26 0.00 0.00 34.13 31.90 1k73 s GLU 56 CO 0.00 -0.50 1.51 0.99 -0.54 0.00 0.00 175.26 176.72 1k73 s THR 57 N 1.43 3.51 -0.04 -1.70 2.01 -0.62 -4.60 115.64 115.63 1k73 s THR 57 Ca -0.03 0.87 -0.30 0.00 0.31 0.00 0.00 61.69 62.54 1k73 s THR 57 Cb -0.17 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 1k73 s THR 57 CO -0.07 -0.02 0.99 -0.69 -0.69 0.00 0.00 174.62 174.14 1k73 s VAL 58 N 2.76 4.83 -0.24 3.82 1.01 -0.19 -0.78 120.40 131.61 1k73 s VAL 58 Ca 0.68 2.05 0.01 0.00 0.00 0.00 0.00 61.98 64.72 1k73 s VAL 58 Cb -0.34 -4.32 0.04 0.00 0.00 0.00 0.00 36.38 31.76 1k73 s VAL 58 CO 0.28 0.10 -0.11 -0.69 0.00 0.00 0.00 175.10 174.68 1k73 s VAL 59 N 1.41 2.45 -0.41 2.92 1.01 0.22 0.10 120.40 128.10 1k73 s VAL 59 Ca 0.51 -1.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.10 1k73 s VAL 59 Cb -0.20 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 33.93 1k73 s VAL 59 CO 0.24 0.17 0.28 -0.69 0.00 0.00 0.00 175.10 175.11 1k73 s VAL 60 N 1.23 5.03 -0.34 2.92 1.01 -0.12 -1.56 120.40 128.57 1k73 s VAL 60 Ca -0.02 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 1k73 s VAL 60 Cb -0.17 -3.83 -0.17 0.00 0.00 0.00 0.00 36.38 32.20 1k73 s VAL 60 CO -0.06 -0.32 2.81 -0.81 0.00 0.00 0.00 175.10 176.71 1k73 n PRO 61 N 5.11 1.91 0.00 2.72 -0.04 -1.26 -3.84 135.00 139.59 1k73 n PRO 61 Ca -0.11 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.29 1k73 n PRO 61 Cb 0.46 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 1k73 n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k73 n GLY 62 N 2.90 0.34 3.14 0.55 0.00 -1.26 -2.47 105.19 108.39 1k73 n GLY 62 Ca 0.41 0.36 -0.20 0.00 0.00 0.00 0.00 46.02 46.59 1k73 n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k73 s LYS 63 N 3.92 0.93 -0.20 1.61 2.20 0.42 -0.75 119.74 127.86 1k73 s LYS 63 Ca 0.00 -0.74 -0.09 0.00 -0.36 0.00 0.00 55.97 54.78 1k73 s LYS 63 Cb 0.00 -0.93 -0.05 0.00 -1.51 0.00 0.00 37.83 35.35 1k73 s LYS 63 CO 0.00 0.23 0.12 0.08 -0.36 0.00 0.00 175.35 175.42 1k73 s VAL 64 N -0.83 5.25 0.13 4.02 1.01 -0.43 -1.47 120.40 128.07 1k73 s VAL 64 Ca 0.01 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1k73 s VAL 64 Cb -0.08 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1k73 s VAL 64 CO 0.01 0.43 0.09 -0.76 0.00 0.00 0.00 175.10 174.87 1k73 s LEU 65 N 0.48 3.73 -0.03 3.92 1.43 0.40 -1.66 118.68 126.95 1k73 s LEU 65 Ca 0.07 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1k73 s LEU 65 Cb -0.12 -2.38 0.09 0.00 0.03 0.00 0.00 46.19 43.81 1k73 s LEU 65 CO -0.01 0.12 0.69 0.61 0.23 0.00 0.00 176.35 177.99 1k73 n GLY 66 N 0.07 1.73 3.82 -3.19 0.00 -1.26 -2.45 105.19 103.91 1k73 n GLY 66 Ca -0.09 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1k73 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k73 s SER 67 N 0.01 7.01 0.00 1.61 0.01 -1.26 -4.79 113.70 116.28 1k73 s SER 67 Ca 0.06 1.40 0.00 0.00 1.31 0.00 0.00 55.95 58.72 1k73 s SER 67 Cb 0.05 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1k73 s SER 67 CO 0.02 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1k73 n GLY 68 N 0.49 -2.89 3.23 3.44 0.00 -1.26 -1.20 105.19 106.99 1k73 n GLY 68 Ca -0.01 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 1k73 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k73 s VAL 69 N -0.65 1.89 -0.14 1.61 1.01 -1.26 -4.73 120.40 118.13 1k73 s VAL 69 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1k73 s VAL 69 Cb 0.00 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 1k73 s VAL 69 CO 0.00 0.53 -0.17 -0.22 0.00 0.00 0.00 175.10 175.24 1k73 s LEU 70 N -0.13 2.40 -0.04 3.92 2.96 -1.26 -4.50 118.68 122.03 1k73 s LEU 70 Ca -0.03 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1k73 s LEU 70 Cb -0.13 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1k73 s LEU 70 CO 0.03 0.11 -0.03 0.00 -1.32 0.00 0.00 176.35 175.14 1k73 n GLN 71 N 3.90 0.65 -1.57 1.98 6.02 -1.26 -4.86 117.38 122.23 1k73 n GLN 71 Ca -0.19 0.02 -0.41 0.00 -0.01 0.00 0.00 57.00 56.41 1k73 n GLN 71 Cb 0.52 -1.08 0.01 0.00 1.02 0.00 0.00 30.24 30.71 1k73 n GLN 71 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1k73 n LYS 72 N -2.54 1.11 -2.86 -1.09 5.02 -1.26 -4.87 118.16 111.68 1k73 n LYS 72 Ca -0.07 0.40 -0.44 0.00 -2.02 0.00 0.00 58.31 56.19 1k73 n LYS 72 Cb 0.58 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1k73 n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1k73 n ASP 73 N 0.56 5.36 -4.79 4.39 2.03 -1.25 -4.53 116.55 118.32 1k73 n ASP 73 Ca 0.10 -3.07 -0.22 0.00 0.52 0.00 0.00 54.79 52.12 1k73 n ASP 73 Cb 0.40 -1.48 -0.05 0.00 -0.72 0.00 0.00 41.12 39.27 1k73 n ASP 73 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1k73 s VAL 74 N 0.33 3.48 -0.23 5.18 -7.23 -1.26 -4.60 120.40 116.06 1k73 s VAL 74 Ca 0.39 -1.54 -0.07 0.00 -1.81 0.00 0.00 61.98 58.94 1k73 s VAL 74 Cb 0.00 -3.11 -0.03 0.00 0.56 0.00 0.00 36.38 33.80 1k73 s VAL 74 CO 0.00 -0.22 0.07 -0.89 -0.31 0.00 0.00 175.10 173.75 1k73 s THR 75 N -2.32 4.43 -0.14 5.32 2.01 -1.26 -1.89 115.64 121.78 1k73 s THR 75 Ca 0.38 -0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.21 1k73 s THR 75 Cb -0.05 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 1k73 s THR 75 CO 0.24 0.36 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.80 1k73 s VAL 76 N 1.34 3.86 -0.15 3.82 1.01 -0.34 -1.03 120.40 128.92 1k73 s VAL 76 Ca 0.05 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1k73 s VAL 76 Cb -0.15 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.58 1k73 s VAL 76 CO 0.04 0.52 -0.21 0.00 0.00 0.00 0.00 175.10 175.44 1k73 s ALA 77 N 0.11 2.28 0.26 5.51 0.00 0.11 0.39 121.76 130.42 1k73 s ALA 77 Ca -0.01 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 50.83 1k73 s ALA 77 Cb -0.14 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 1k73 s ALA 77 CO 0.03 -0.14 0.21 0.00 0.00 0.00 0.00 175.76 175.86 1k73 s ALA 78 N 0.98 1.39 0.19 0.00 0.00 -0.99 -0.95 121.76 122.38 1k73 s ALA 78 Ca -0.03 -1.82 -0.04 0.00 0.00 0.00 0.00 51.96 50.07 1k73 s ALA 78 Cb -0.15 1.41 0.10 0.00 0.00 0.00 0.00 23.12 24.48 1k73 s ALA 78 CO -0.06 -0.64 1.51 0.28 0.00 0.00 0.00 175.76 176.86 1k73 h VAL 79 N 2.40 1.30 -2.06 0.00 2.07 -1.05 -2.65 116.25 116.26 1k73 h VAL 79 Ca -0.31 -1.70 0.12 0.00 0.82 0.00 0.00 66.70 65.63 1k73 h VAL 79 Cb 1.24 1.65 -0.17 0.00 -1.52 0.00 0.00 31.29 32.49 1k73 h VAL 79 CO 0.45 0.54 0.54 -0.62 0.02 0.00 0.00 177.57 178.50 1k73 s ASP 80 N -6.90 -0.34 0.05 0.57 2.15 -1.20 -4.84 116.67 106.16 1k73 s ASP 80 Ca -0.08 0.07 0.05 0.00 0.43 0.00 0.00 52.55 53.02 1k73 s ASP 80 Cb 0.11 0.34 -0.02 0.00 -0.30 0.00 0.00 42.92 43.05 1k73 s ASP 80 CO 0.85 -0.53 -0.15 -0.36 -0.17 0.00 0.00 175.17 174.81 1k73 s PHE 81 N -2.69 1.29 0.95 -5.34 0.40 -1.26 -1.32 117.98 110.01 1k73 s PHE 81 Ca 0.04 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.88 1k73 s PHE 81 Cb -0.01 -0.76 0.16 0.00 0.51 0.00 0.00 43.02 42.93 1k73 s PHE 81 CO -0.07 0.05 1.09 -1.54 0.70 0.00 0.00 175.22 175.45 1k73 s SER 82 N -1.26 2.95 0.30 1.36 1.04 -0.67 -4.79 113.70 112.64 1k73 s SER 82 Ca 0.02 1.46 0.00 0.00 0.48 0.00 0.00 55.95 57.91 1k73 s SER 82 Cb -0.08 -2.13 0.48 0.00 0.10 0.00 0.00 66.02 64.39 1k73 s SER 82 CO 0.02 -2.96 1.89 1.23 0.98 0.00 0.00 173.24 174.39 1k73 h GLY 83 N -1.77 0.88 1.10 7.32 0.00 -2.00 -2.52 103.07 106.08 1k73 h GLY 83 Ca -0.52 -0.45 -0.18 0.00 0.00 0.00 0.00 47.33 46.19 1k73 h GLY 83 CO 0.54 0.42 -0.56 -0.84 0.00 0.00 0.00 176.54 176.10 1k73 h THR 84 N 0.82 1.29 0.45 4.70 2.02 -1.96 -2.88 112.91 117.35 1k73 h THR 84 Ca 0.19 -1.76 -0.01 0.00 0.77 0.00 0.00 66.41 65.60 1k73 h THR 84 Cb 0.16 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1k73 h THR 84 CO -0.02 0.56 -0.30 0.00 0.37 0.00 0.00 175.52 176.14 1k73 h ALA 85 N 0.63 -0.73 -0.12 6.16 0.00 -1.83 -0.62 119.26 122.76 1k73 h ALA 85 Ca -0.00 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1k73 h ALA 85 Cb 1.18 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1k73 h ALA 85 CO 0.12 -0.93 0.11 1.49 0.00 0.00 0.00 179.25 180.04 1k73 h GLU 86 N -0.72 0.00 0.02 0.00 4.81 -1.51 -0.60 114.58 116.58 1k73 h GLU 86 Ca -0.05 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 1k73 h GLU 86 Cb 0.60 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.99 1k73 h GLU 86 CO 0.04 0.00 -0.51 1.15 -0.73 0.00 0.00 179.01 178.95 1k73 h THR 87 N 0.00 1.49 -0.68 0.32 2.02 -1.19 -2.70 112.91 112.17 1k73 h THR 87 Ca 0.06 -2.13 -0.08 0.00 0.77 0.00 0.00 66.41 65.03 1k73 h THR 87 Cb 0.27 2.78 -0.03 0.00 -1.74 0.00 0.00 68.15 69.43 1k73 h THR 87 CO -0.00 0.60 0.12 0.11 0.37 0.00 0.00 175.52 176.73 1k73 h LYS 88 N -0.30 1.12 -0.40 6.66 1.57 -0.58 -3.11 116.57 121.53 1k73 h LYS 88 Ca -0.07 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.32 1k73 h LYS 88 Cb 1.27 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1k73 h LYS 88 CO 0.10 1.02 -0.14 0.82 -0.57 0.00 0.00 179.45 180.67 1k73 h ILE 89 N 1.05 1.28 0.00 1.86 2.04 -1.22 -2.90 117.51 119.62 1k73 h ILE 89 Ca 0.21 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1k73 h ILE 89 Cb 0.43 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1k73 h ILE 89 CO 0.01 0.42 0.00 0.47 0.00 0.00 0.00 178.15 179.05 1k73 n ASP 90 N -4.29 0.00 0.07 1.72 8.00 -1.02 0.71 116.55 121.75 1k73 n ASP 90 Ca -0.01 0.44 -0.07 0.00 0.71 0.00 0.00 54.79 55.85 1k73 n ASP 90 Cb 0.39 -0.47 -0.08 0.00 -0.02 0.00 0.00 41.12 40.94 1k73 n ASP 90 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1k73 h GLN 91 N 0.00 0.03 0.00 -1.24 4.20 -1.45 -3.37 115.11 113.28 1k73 h GLN 91 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1k73 h GLN 91 Cb 0.21 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1k73 h GLN 91 CO 0.00 0.97 -0.07 1.33 -0.67 0.00 0.00 178.83 180.38 1k73 n VAL 92 N -3.43 0.00 0.00 -0.54 0.24 -0.95 -5.09 118.33 108.57 1k73 n VAL 92 Ca -0.01 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1k73 n VAL 92 Cb 0.90 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 34.23 1k73 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k73 n GLY 93 N 1.04 3.79 3.06 7.63 0.00 0.22 -3.96 105.19 116.96 1k73 n GLY 93 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 1k73 n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k73 s GLU 94 N 4.27 0.21 -0.19 1.61 2.12 -0.79 -4.31 118.70 121.61 1k73 s GLU 94 Ca 0.00 0.57 -0.15 0.00 0.36 0.00 0.00 54.97 55.74 1k73 s GLU 94 Cb 0.00 -0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.24 1k73 s GLU 94 CO 0.00 -0.18 0.37 0.00 -0.54 0.00 0.00 175.26 174.91 1k73 s ALA 95 N 1.41 3.56 0.04 6.30 0.00 -1.26 -1.19 121.76 130.62 1k73 s ALA 95 Ca -0.08 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 51.42 1k73 s ALA 95 Cb -0.10 -2.58 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 1k73 s ALA 95 CO -0.09 -0.21 -0.16 0.08 0.00 0.00 0.00 175.76 175.38 1k73 s VAL 96 N 1.12 1.25 0.40 0.00 1.01 0.16 -4.94 120.40 119.40 1k73 s VAL 96 Ca 0.18 -1.07 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 1k73 s VAL 96 Cb -0.14 -1.12 -0.10 0.00 0.00 0.00 0.00 36.38 35.01 1k73 s VAL 96 CO 0.07 0.04 0.96 -0.94 0.00 0.00 0.00 175.10 175.24 1k73 s SER 97 N -1.18 6.99 0.60 3.32 1.04 -1.26 -2.33 113.70 120.87 1k73 s SER 97 Ca 0.03 1.78 0.30 0.00 0.48 0.00 0.00 55.95 58.54 1k73 s SER 97 Cb -0.08 -2.56 1.82 0.00 0.10 0.00 0.00 66.02 65.30 1k73 s SER 97 CO 0.01 -0.32 2.23 0.25 0.98 0.00 0.00 173.24 176.39 1k73 h LEU 98 N 2.29 0.00 -0.80 2.42 5.85 -1.79 0.22 115.31 123.50 1k73 h LEU 98 Ca -0.48 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.11 1k73 h LEU 98 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1k73 h LEU 98 CO 0.62 0.00 -0.51 -0.33 -0.34 0.00 0.00 178.44 177.88 1k73 h GLU 99 N 0.00 0.23 0.16 1.25 3.07 -1.90 -1.82 114.58 115.56 1k73 h GLU 99 Ca 0.02 -0.13 -0.28 0.00 -0.50 0.00 0.00 59.36 58.47 1k73 h GLU 99 Cb 0.10 0.01 0.03 0.00 -0.84 0.00 0.00 28.75 28.05 1k73 h GLU 99 CO -0.00 0.69 -1.19 1.96 -1.40 0.00 0.00 179.01 179.07 1k73 h GLN 100 N 0.18 0.52 -0.03 2.33 4.20 -1.38 -3.17 115.11 117.76 1k73 h GLN 100 Ca 0.01 -0.77 0.03 0.00 0.06 0.00 0.00 58.65 57.97 1k73 h GLN 100 Cb 0.96 0.27 -0.05 0.00 0.30 0.00 0.00 27.48 28.97 1k73 h GLN 100 CO 0.08 1.36 -0.24 0.00 -0.67 0.00 0.00 178.83 179.35 1k73 h ALA 101 N 0.20 -0.30 -0.64 3.87 0.00 -1.12 0.83 119.26 122.10 1k73 h ALA 101 Ca -0.19 0.01 0.18 0.00 0.00 0.00 0.00 54.91 54.91 1k73 h ALA 101 Cb 1.90 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 20.10 1k73 h ALA 101 CO 0.23 -0.74 0.53 0.82 0.00 0.00 0.00 179.25 180.09 1k73 h ILE 102 N -0.36 0.50 0.11 0.00 2.04 -1.41 -0.16 117.51 118.23 1k73 h ILE 102 Ca 0.07 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.66 1k73 h ILE 102 Cb 0.46 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1k73 h ILE 102 CO -0.23 0.00 -1.37 -0.08 0.00 0.00 0.00 178.15 176.46 1k73 h GLU 103 N 0.00 0.24 0.00 2.37 4.81 -0.89 -2.89 114.58 118.22 1k73 h GLU 103 Ca 0.30 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1k73 h GLU 103 Cb 1.35 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.89 1k73 h GLU 103 CO -0.00 1.20 0.00 0.09 -0.73 0.00 0.00 179.01 179.56 1k73 n ASN 104 N -3.94 0.00 -2.74 1.04 3.02 -0.13 -4.35 115.26 108.16 1k73 n ASN 104 Ca -0.24 0.09 -0.07 0.00 -0.03 0.00 0.00 54.58 54.32 1k73 n ASN 104 Cb 0.89 -0.35 0.05 0.00 -0.61 0.00 0.00 39.78 39.77 1k73 n ASN 104 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1k73 n ASN 105 N -1.35 -2.65 0.14 6.41 5.15 -0.11 -5.00 115.26 117.86 1k73 n ASN 105 Ca 0.11 -3.03 0.11 0.00 -0.60 0.00 0.00 54.58 51.17 1k73 n ASN 105 Cb 0.23 1.64 0.52 0.00 -0.53 0.00 0.00 39.78 41.64 1k73 n ASN 105 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1k73 n PRO 106 N 1.67 0.17 0.03 1.20 -0.04 -1.09 -1.23 135.00 135.70 1k73 n PRO 106 Ca 0.08 0.50 0.13 0.00 -0.04 0.00 0.00 63.50 64.17 1k73 n PRO 106 Cb 0.64 -1.89 0.37 0.00 -0.04 0.00 0.00 33.50 32.58 1k73 n PRO 106 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1k73 n GLU 107 N -2.22 0.11 -3.58 0.54 4.71 -1.26 -3.86 120.64 115.08 1k73 n GLU 107 Ca 0.01 0.05 -0.27 0.00 -0.01 0.00 0.00 57.16 56.93 1k73 n GLU 107 Cb 0.15 -1.59 0.05 0.00 -1.01 0.00 0.00 31.44 29.05 1k73 n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1k73 n GLY 108 N 1.43 -1.02 3.70 0.62 0.00 -0.37 -3.25 105.19 106.32 1k73 n GLY 108 Ca 0.05 0.48 -0.28 0.00 0.00 0.00 0.00 46.02 46.28 1k73 n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k73 s SER 109 N -3.47 5.03 -1.26 1.61 1.04 -1.26 -4.64 113.70 110.74 1k73 s SER 109 Ca 0.46 -0.26 -0.06 0.00 0.48 0.00 0.00 55.95 56.58 1k73 s SER 109 Cb -0.14 -1.17 -0.01 0.00 0.10 0.00 0.00 66.02 64.80 1k73 s SER 109 CO 0.83 0.12 0.70 1.41 0.98 0.00 0.00 173.24 177.28 1k73 n HIS 110 N 0.09 -1.92 -4.56 5.02 8.25 -1.26 -4.84 115.22 116.00 1k73 n HIS 110 Ca -0.10 0.73 -0.26 0.00 -0.26 0.00 0.00 57.72 57.83 1k73 n HIS 110 Cb 0.54 -4.02 -0.14 0.00 1.12 0.00 0.00 29.99 27.49 1k73 n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1k73 s VAL 111 N -3.64 1.84 -0.13 1.59 0.11 -1.26 -1.59 120.40 117.32 1k73 s VAL 111 Ca 0.16 -1.40 -0.00 0.00 -2.93 0.00 0.00 61.98 57.81 1k73 s VAL 111 Cb -0.05 -1.62 0.03 0.00 -1.53 0.00 0.00 36.38 33.22 1k73 s VAL 111 CO 0.83 0.15 -0.07 -0.60 -3.33 0.00 0.00 175.10 172.07 1k73 s ARG 112 N -1.50 1.55 -0.04 1.54 6.06 0.04 -4.92 118.95 121.69 1k73 s ARG 112 Ca 0.09 -0.36 -0.29 0.00 -2.50 0.00 0.00 55.73 52.67 1k73 s ARG 112 Cb -0.09 -1.76 -0.03 0.00 0.06 0.00 0.00 34.95 33.13 1k73 s ARG 112 CO 0.03 -0.32 0.95 0.08 -2.50 0.00 0.00 175.30 173.54 1k73 s VAL 113 N 1.67 4.87 -0.06 7.11 1.01 -1.26 -0.61 120.40 133.13 1k73 s VAL 113 Ca 0.04 1.97 0.02 0.00 0.00 0.00 0.00 61.98 64.00 1k73 s VAL 113 Cb -0.13 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.98 1k73 s VAL 113 CO -0.08 0.13 -0.11 -0.63 0.00 0.00 0.00 175.10 174.41 1k73 s ILE 114 N 1.29 1.01 0.00 2.22 -1.09 -0.60 -4.92 121.20 119.11 1k73 s ILE 114 Ca 0.49 -0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 1k73 s ILE 114 Cb -0.20 -0.93 0.00 0.00 -1.58 0.00 0.00 42.46 39.75 1k73 s ILE 114 CO 0.24 0.32 0.11 -2.11 -1.23 0.00 0.00 174.94 172.27