#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 s LYS 2 N 0.00 3.24 -0.12 4.33 -0.14 -1.26 -4.98 119.74 120.80 1s72 s LYS 2 Ca 0.00 1.09 0.04 0.00 -1.36 0.00 0.00 55.97 55.74 1s72 s LYS 2 Cb 0.00 -2.03 -0.10 0.00 -1.68 0.00 0.00 37.83 34.02 1s72 s LYS 2 CO 0.00 -0.87 -0.06 2.41 -0.76 0.00 0.00 175.35 176.07 1s72 n THR 3 N -2.40 0.73 -2.14 2.17 -1.04 -1.26 -4.95 114.28 105.39 1s72 n THR 3 Ca 0.08 -0.34 -0.43 0.00 -2.04 0.00 0.00 64.05 61.32 1s72 n THR 3 Cb 0.53 -0.88 -0.02 0.00 -1.82 0.00 0.00 70.33 68.14 1s72 n THR 3 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1s72 s ASN 4 N -4.90 6.48 0.44 8.00 3.84 -1.26 -4.89 114.94 122.65 1s72 s ASN 4 Ca -0.13 1.69 0.15 0.00 0.21 0.00 0.00 52.86 54.77 1s72 s ASN 4 Cb 0.04 -2.53 1.00 0.00 -0.55 0.00 0.00 41.25 39.21 1s72 s ASN 4 CO 0.34 -1.17 1.98 -0.65 -2.79 0.00 0.00 177.10 174.82 1s72 h PRO 5 N 10.30 0.00 0.01 0.43 0.11 -1.99 -1.83 132.00 139.03 1s72 h PRO 5 Ca -0.33 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 1s72 h PRO 5 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1s72 h PRO 5 CO 0.99 0.19 -0.01 0.00 -0.21 0.00 0.00 178.00 178.97 1s72 h ARG 6 N 0.00 -0.01 -0.58 1.05 3.08 -1.99 -1.09 114.38 114.84 1s72 h ARG 6 Ca -0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1s72 h ARG 6 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1s72 h ARG 6 CO 0.03 0.57 0.39 1.25 -1.07 0.00 0.00 179.97 181.13 1s72 h LEU 7 N -0.61 0.43 -0.12 3.04 5.85 -1.93 0.19 115.31 122.17 1s72 h LEU 7 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1s72 h LEU 7 Cb 0.59 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1s72 h LEU 7 CO 0.00 0.27 0.01 -1.28 -0.34 0.00 0.00 178.44 177.11 1s72 h SER 8 N 0.49 0.19 -0.55 1.25 0.87 -1.19 -1.98 113.55 112.63 1s72 h SER 8 Ca 0.26 -0.27 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 1s72 h SER 8 Cb 0.39 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 1s72 h SER 8 CO -0.07 0.41 0.03 0.28 -0.53 0.00 0.00 176.83 176.95 1s72 h SER 9 N -0.04 0.95 -0.25 6.23 0.02 0.16 -2.23 113.55 118.38 1s72 h SER 9 Ca 0.03 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 60.78 1s72 h SER 9 Cb 0.31 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1s72 h SER 9 CO 0.00 0.98 0.05 0.25 -1.14 0.00 0.00 176.83 176.98 1s72 h LEU 10 N 0.91 0.01 -0.64 5.07 5.85 -0.57 0.25 115.31 126.18 1s72 h LEU 10 Ca 0.17 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.99 1s72 h LEU 10 Cb 0.49 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1s72 h LEU 10 CO 0.02 0.04 0.34 0.40 -0.34 0.00 0.00 178.44 178.90 1s72 h ILE 11 N 0.15 0.94 -0.24 4.05 2.04 -1.08 0.15 117.51 123.52 1s72 h ILE 11 Ca 0.11 -0.22 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 1s72 h ILE 11 Cb 0.11 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1s72 h ILE 11 CO -0.15 0.12 -0.31 0.00 0.00 0.00 0.00 178.15 177.80 1s72 h ALA 12 N 1.35 1.02 -0.24 1.87 0.00 -0.87 -2.45 119.26 119.94 1s72 h ALA 12 Ca 0.29 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1s72 h ALA 12 Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1s72 h ALA 12 CO -0.20 0.59 -0.51 -0.44 0.00 0.00 0.00 179.25 178.70 1s72 h ASP 13 N 0.43 0.73 -0.39 0.00 3.32 -0.01 -1.82 116.42 118.67 1s72 h ASP 13 Ca 0.05 -0.37 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 1s72 h ASP 13 Cb 0.76 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1s72 h ASP 13 CO 0.06 1.10 0.18 -0.07 -1.72 0.00 0.00 179.24 178.79 1s72 h LEU 14 N 0.52 0.55 -0.02 1.55 3.38 -0.55 -2.35 115.31 118.39 1s72 h LEU 14 Ca 0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1s72 h LEU 14 Cb 1.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1s72 h LEU 14 CO 0.10 0.50 -0.04 0.11 0.09 0.00 0.00 178.44 179.20 1s72 h LYS 15 N 0.61 0.06 -0.66 1.13 1.57 -1.16 -2.52 116.57 115.60 1s72 h LYS 15 Ca 0.15 -0.04 0.15 0.00 -1.87 0.00 0.00 60.65 59.04 1s72 h LYS 15 Cb 0.11 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1s72 h LYS 15 CO -0.02 0.64 0.45 1.03 -0.57 0.00 0.00 179.45 180.99 1s72 h SER 16 N -0.52 0.24 0.72 0.86 0.87 -1.17 -1.15 113.55 113.40 1s72 h SER 16 Ca -0.00 0.01 -0.25 0.00 -1.23 0.00 0.00 61.79 60.32 1s72 h SER 16 Cb 0.65 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1s72 h SER 16 CO 0.01 0.13 -1.14 0.00 -0.53 0.00 0.00 176.83 175.29 1s72 h ALA 17 N 1.68 0.20 0.00 6.23 0.00 -1.41 -2.29 119.26 123.67 1s72 h ALA 17 Ca 0.32 -0.88 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 1s72 h ALA 17 Cb 0.89 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1s72 h ALA 17 CO -0.07 1.04 -0.23 0.00 0.00 0.00 0.00 179.25 179.99 1s72 h ALA 18 N 0.72 0.90 0.00 0.00 0.00 -0.79 -2.36 119.26 117.74 1s72 h ALA 18 Ca -0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1s72 h ALA 18 Cb 1.87 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1s72 h ALA 18 CO 0.18 0.29 -0.41 0.00 0.00 0.00 0.00 179.25 179.31 1s72 h ARG 19 N 0.00 0.00 0.00 0.00 3.08 -1.36 -3.38 114.38 112.72 1s72 h ARG 19 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1s72 h ARG 19 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1s72 h ARG 19 CO 0.03 0.40 -0.00 0.77 -1.07 0.00 0.00 179.97 180.10 1s72 h SER 20 N -1.00 -0.00 -3.49 7.04 0.02 -1.52 -3.44 113.55 111.15 1s72 h SER 20 Ca -0.07 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.46 1s72 h SER 20 Cb 0.62 0.00 0.19 0.00 0.14 0.00 0.00 62.40 63.35 1s72 h SER 20 CO -0.04 -0.00 0.10 -0.44 -1.14 0.00 0.00 176.83 175.30 1s72 s SER 21 N -2.12 0.97 0.00 3.07 0.01 -0.89 -4.91 113.70 109.84 1s72 s SER 21 Ca -0.00 0.85 0.31 0.00 1.31 0.00 0.00 55.95 58.42 1s72 s SER 21 Cb 0.00 -1.25 1.79 0.00 0.21 0.00 0.00 66.02 66.77 1s72 s SER 21 CO 0.00 -4.11 2.17 0.61 0.41 0.00 0.00 173.24 172.32 1s72 n GLY 22 N -0.50 -1.07 3.41 3.44 0.00 -1.26 -4.63 105.19 104.58 1s72 n GLY 22 Ca 0.10 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1s72 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s72 n GLY 23 N 1.05 -1.85 0.00 -0.02 0.00 -1.16 -4.92 105.19 98.30 1s72 n GLY 23 Ca 0.21 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1s72 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s72 n ALA 24 N -0.90 1.46 0.01 4.61 0.00 -1.26 -4.62 120.51 119.81 1s72 n ALA 24 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 1s72 n ALA 24 Cb 0.39 0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 1s72 n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1s72 h VAL 25 N 0.00 1.22 -0.61 0.00 -1.51 -1.90 -2.06 116.25 111.38 1s72 h VAL 25 Ca 0.00 -0.64 0.12 0.00 -1.23 0.00 0.00 66.70 64.95 1s72 h VAL 25 Cb 0.46 1.63 -0.10 0.00 -2.13 0.00 0.00 31.29 31.16 1s72 h VAL 25 CO 0.00 0.17 0.07 -0.50 -1.23 0.00 0.00 177.57 176.08 1s72 h TRP 26 N -0.25 0.09 -0.44 5.19 -0.00 -1.86 0.76 115.95 119.45 1s72 h TRP 26 Ca 0.00 0.04 -0.07 0.00 -0.00 0.00 0.00 58.89 58.87 1s72 h TRP 26 Cb 0.27 0.05 -0.02 0.00 -0.00 0.00 0.00 29.16 29.47 1s72 h TRP 26 CO 0.02 -0.10 -0.01 0.78 -0.00 0.00 0.00 178.44 179.13 1s72 h GLY 27 N 0.19 0.77 0.88 1.49 0.00 -1.70 0.82 103.07 105.53 1s72 h GLY 27 Ca 0.32 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1s72 h GLY 27 CO -0.46 0.47 0.06 -1.80 0.00 0.00 0.00 176.54 174.81 1s72 h ASP 28 N 0.67 0.42 -0.34 0.19 3.58 -0.08 -1.36 116.42 119.51 1s72 h ASP 28 Ca 0.13 -0.24 -0.08 0.00 0.42 0.00 0.00 57.03 57.27 1s72 h ASP 28 Cb 0.44 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 1s72 h ASP 28 CO 0.02 0.55 -0.05 0.58 -2.88 0.00 0.00 179.24 177.46 1s72 h VAL 29 N 0.28 1.24 -0.71 2.25 2.07 0.71 -2.55 116.25 119.55 1s72 h VAL 29 Ca 0.09 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1s72 h VAL 29 Cb 0.29 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1s72 h VAL 29 CO 0.00 0.36 0.26 0.00 0.02 0.00 0.00 177.57 178.21 1s72 h ALA 30 N 1.26 0.92 -0.16 1.67 0.00 -0.50 -1.48 119.26 120.96 1s72 h ALA 30 Ca 0.13 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1s72 h ALA 30 Cb 0.50 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1s72 h ALA 30 CO 0.03 0.57 -0.38 0.93 0.00 0.00 0.00 179.25 180.39 1s72 h GLU 31 N 1.02 0.35 -0.02 0.00 5.08 -1.04 -1.96 114.58 118.01 1s72 h GLU 31 Ca 0.23 -0.16 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 1s72 h GLU 31 Cb 0.25 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1s72 h GLU 31 CO -0.01 0.69 -0.79 -0.09 -1.00 0.00 0.00 179.01 177.81 1s72 h ARG 32 N 0.30 0.22 0.00 2.33 9.65 -1.14 -2.72 114.38 123.02 1s72 h ARG 32 Ca 0.03 -0.21 -0.11 0.00 -1.10 0.00 0.00 59.98 58.59 1s72 h ARG 32 Cb 0.81 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.42 1s72 h ARG 32 CO 0.06 0.90 -0.53 -0.07 2.80 0.00 0.00 179.97 183.13 1s72 h LEU 33 N 0.14 0.00 -1.07 3.80 3.38 -1.14 -2.72 115.31 117.70 1s72 h LEU 33 Ca -0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1s72 h LEU 33 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1s72 h LEU 33 CO 0.12 0.53 -0.41 -0.33 0.09 0.00 0.00 178.44 178.44 1s72 h GLU 34 N 0.00 0.00 -7.36 1.13 5.08 -1.18 -3.44 114.58 108.82 1s72 h GLU 34 Ca -0.01 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1s72 h GLU 34 Cb 1.04 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.41 1s72 h GLU 34 CO 0.07 0.41 0.32 0.15 -1.00 0.00 0.00 179.01 178.96 1s72 s LYS 35 N -3.83 2.08 0.20 2.33 1.02 -1.03 -4.95 119.74 115.57 1s72 s LYS 35 Ca -0.01 0.86 -0.30 0.00 0.02 0.00 0.00 55.97 56.53 1s72 s LYS 35 Cb 0.13 -1.90 -0.16 0.00 -0.52 0.00 0.00 37.83 35.38 1s72 s LYS 35 CO 0.71 -1.68 0.87 -2.30 -0.92 0.00 0.00 175.35 172.03 1s72 n PRO 36 N -3.51 0.69 -0.34 -1.68 -0.02 -1.26 -4.83 135.00 124.05 1s72 n PRO 36 Ca 0.08 0.24 0.22 0.00 -2.02 0.00 0.00 63.50 62.02 1s72 n PRO 36 Cb 0.55 -1.52 0.48 0.00 -0.02 0.00 0.00 33.50 32.99 1s72 n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s72 h ARG 37 N 2.05 0.40 0.00 -0.52 3.08 -1.92 0.91 114.38 118.38 1s72 h ARG 37 Ca -0.37 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.65 1s72 h ARG 37 Cb 1.39 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 1s72 h ARG 37 CO 0.62 0.27 -0.01 0.07 -1.07 0.00 0.00 179.97 179.85 1s72 h ARG 38 N 0.42 0.00 0.00 0.04 0.11 -2.00 -1.78 114.38 111.16 1s72 h ARG 38 Ca 0.63 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.71 1s72 h ARG 38 Cb 1.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.60 1s72 h ARG 38 CO -0.37 0.01 -0.85 0.25 0.10 0.00 0.00 179.97 179.11 1s72 n THR 39 N -3.22 0.20 -1.59 0.08 -2.24 0.31 -4.94 114.28 102.88 1s72 n THR 39 Ca -0.03 -0.22 -0.36 0.00 -2.27 0.00 0.00 64.05 61.17 1s72 n THR 39 Cb 0.10 0.13 0.08 0.00 -2.10 0.00 0.00 70.33 68.55 1s72 n THR 39 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1s72 n HIS 40 N -1.95 1.80 -2.22 4.78 8.25 -0.67 -4.93 115.22 120.27 1s72 n HIS 40 Ca 0.03 0.42 -0.38 0.00 -0.26 0.00 0.00 57.72 57.53 1s72 n HIS 40 Cb 0.42 -2.23 -0.01 0.00 1.12 0.00 0.00 29.99 29.29 1s72 n HIS 40 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s72 s ALA 41 N -1.54 3.08 -0.33 -1.41 0.00 -1.13 -4.92 121.76 115.50 1s72 s ALA 41 Ca 0.81 1.01 -0.01 0.00 0.00 0.00 0.00 51.96 53.76 1s72 s ALA 41 Cb -0.36 -3.40 0.12 0.00 0.00 0.00 0.00 23.12 19.48 1s72 s ALA 41 CO 0.42 -0.66 0.18 -1.21 0.00 0.00 0.00 175.76 174.50 1s72 s GLU 42 N -2.48 0.46 -0.10 0.00 2.02 -1.25 -0.64 118.70 116.71 1s72 s GLU 42 Ca 0.60 -1.08 -0.00 0.00 0.02 0.00 0.00 54.97 54.51 1s72 s GLU 42 Cb -0.31 -1.32 -0.03 0.00 0.10 0.00 0.00 34.13 32.57 1s72 s GLU 42 CO 0.39 -1.14 -0.08 0.08 0.02 0.00 0.00 175.26 174.54 1s72 s VAL 43 N 1.41 3.60 0.54 2.63 1.01 -0.53 -4.92 120.40 124.15 1s72 s VAL 43 Ca 0.15 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1s72 s VAL 43 Cb -0.21 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.70 1s72 s VAL 43 CO -0.13 0.56 0.77 0.20 0.00 0.00 0.00 175.10 176.51 1s72 s ASN 44 N -0.33 5.34 0.41 3.32 0.01 -1.26 0.16 114.94 122.60 1s72 s ASN 44 Ca 0.04 0.08 0.11 0.00 -0.71 0.00 0.00 52.86 52.39 1s72 s ASN 44 Cb -0.13 -1.01 0.88 0.00 0.41 0.00 0.00 41.25 41.41 1s72 s ASN 44 CO 0.02 -1.10 1.96 -0.07 -1.51 0.00 0.00 177.10 176.40 1s72 h LEU 45 N 0.08 0.15 -1.72 0.60 3.38 -0.70 -2.99 115.31 114.10 1s72 h LEU 45 Ca -0.43 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.59 1s72 h LEU 45 Cb 1.29 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 1s72 h LEU 45 CO 0.54 0.30 0.31 1.23 0.09 0.00 0.00 178.44 180.91 1s72 h GLY 46 N 0.64 0.43 1.57 0.83 0.00 -1.76 -1.00 103.07 103.77 1s72 h GLY 46 Ca 0.03 -0.13 -0.28 0.00 0.00 0.00 0.00 47.33 46.94 1s72 h GLY 46 CO 0.02 0.10 -1.27 -0.09 0.00 0.00 0.00 176.54 175.29 1s72 h ARG 47 N 0.33 0.33 -0.44 4.80 2.43 -1.86 -2.84 114.38 117.13 1s72 h ARG 47 Ca 0.21 -0.55 -0.04 0.00 -0.81 0.00 0.00 59.98 58.79 1s72 h ARG 47 Cb 0.39 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1s72 h ARG 47 CO -0.05 1.26 0.11 0.82 -1.51 0.00 0.00 179.97 180.60 1s72 h ILE 48 N 0.09 1.23 -0.07 1.20 2.04 -1.46 -2.59 117.51 117.95 1s72 h ILE 48 Ca -0.15 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1s72 h ILE 48 Cb 1.99 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1s72 h ILE 48 CO 0.22 0.28 -0.10 -0.08 0.00 0.00 0.00 178.15 178.47 1s72 h GLU 49 N 0.57 0.11 0.04 2.37 4.57 -1.27 -0.54 114.58 120.42 1s72 h GLU 49 Ca 0.14 -0.02 -0.23 0.00 -1.18 0.00 0.00 59.36 58.07 1s72 h GLU 49 Cb 0.31 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1s72 h GLU 49 CO 0.00 0.21 -1.06 -0.09 -1.18 0.00 0.00 179.01 176.89 1s72 h ARG 50 N 0.10 0.09 0.00 1.92 2.43 -1.22 -3.38 114.38 114.32 1s72 h ARG 50 Ca 0.02 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1s72 h ARG 50 Cb 0.24 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1s72 h ARG 50 CO 0.01 1.06 0.00 0.66 -1.51 0.00 0.00 179.97 180.19 1s72 n TYR 51 N -3.42 0.00 -3.21 2.20 4.02 -1.01 -5.04 117.16 110.70 1s72 n TYR 51 Ca -0.03 -0.15 -0.26 0.00 -0.01 0.00 0.00 57.90 57.45 1s72 n TYR 51 Cb 0.96 -0.02 -0.01 0.00 -0.02 0.00 0.00 39.34 40.25 1s72 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s72 s ALA 52 N -0.30 3.61 -0.00 -0.72 0.00 -0.22 -5.08 121.76 119.05 1s72 s ALA 52 Ca 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 1s72 s ALA 52 Cb 0.00 -2.26 -0.00 0.00 0.00 0.00 0.00 23.12 20.86 1s72 s ALA 52 CO 0.00 -0.02 0.03 1.14 0.00 0.00 0.00 175.76 176.90 1s72 s GLN 53 N -4.21 0.18 0.52 0.00 -2.07 -1.26 -4.96 119.66 107.85 1s72 s GLN 53 Ca 0.43 -0.21 -0.22 0.00 -1.82 0.00 0.00 55.36 53.53 1s72 s GLN 53 Cb -0.10 0.07 -0.06 0.00 -1.09 0.00 0.00 33.01 31.83 1s72 s GLN 53 CO 0.36 -0.03 1.25 0.39 -1.32 0.00 0.00 175.29 175.94 1s72 n GLU 54 N 2.41 1.61 -0.96 9.60 1.02 -1.26 -2.53 120.64 130.53 1s72 n GLU 54 Ca -0.17 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1s72 n GLU 54 Cb 0.58 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 1s72 n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1s72 n ASP 55 N -0.55 -3.12 -4.01 1.62 8.00 -1.26 -4.97 116.55 112.26 1s72 n ASP 55 Ca 0.10 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.29 1s72 n ASP 55 Cb 0.43 -1.40 -0.16 0.00 -0.02 0.00 0.00 41.12 39.98 1s72 n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1s72 s GLU 56 N -0.62 2.10 -0.01 -1.24 2.12 -1.05 -4.96 118.70 115.04 1s72 s GLU 56 Ca 0.00 -0.85 -0.30 0.00 0.36 0.00 0.00 54.97 54.18 1s72 s GLU 56 Cb 0.00 -2.43 -0.06 0.00 0.26 0.00 0.00 34.13 31.91 1s72 s GLU 56 CO 0.00 -0.41 1.48 0.99 -0.54 0.00 0.00 175.26 176.78 1s72 s THR 57 N 1.38 3.61 -0.00 -1.70 2.01 -0.46 -4.60 115.64 115.88 1s72 s THR 57 Ca -0.01 0.95 -0.30 0.00 0.31 0.00 0.00 61.69 62.64 1s72 s THR 57 Cb -0.16 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 1s72 s THR 57 CO -0.08 -0.02 1.02 -0.69 -0.69 0.00 0.00 174.62 174.15 1s72 s VAL 58 N 2.82 4.74 -0.22 3.82 1.01 -0.25 -0.46 120.40 131.87 1s72 s VAL 58 Ca 0.67 1.97 0.02 0.00 0.00 0.00 0.00 61.98 64.63 1s72 s VAL 58 Cb -0.32 -4.26 0.04 0.00 0.00 0.00 0.00 36.38 31.83 1s72 s VAL 58 CO 0.27 0.14 -0.16 -0.69 0.00 0.00 0.00 175.10 174.66 1s72 s VAL 59 N 1.11 2.11 -0.36 2.92 1.01 0.29 -0.20 120.40 127.28 1s72 s VAL 59 Ca 0.53 -1.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 1s72 s VAL 59 Cb -0.22 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.12 1s72 s VAL 59 CO 0.27 0.28 0.22 -0.69 0.00 0.00 0.00 175.10 175.18 1s72 s VAL 60 N 1.20 4.87 -0.23 2.92 1.01 0.41 -1.28 120.40 129.30 1s72 s VAL 60 Ca -0.01 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 1s72 s VAL 60 Cb -0.16 -3.63 -0.21 0.00 0.00 0.00 0.00 36.38 32.38 1s72 s VAL 60 CO -0.09 -0.15 3.16 -0.81 0.00 0.00 0.00 175.10 177.21 1s72 n PRO 61 N 5.05 1.99 0.00 2.72 -0.04 -1.26 -3.78 135.00 139.68 1s72 n PRO 61 Ca -0.12 -1.05 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 1s72 n PRO 61 Cb 0.48 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1s72 n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s72 n GLY 62 N 2.73 0.43 3.20 0.55 0.00 -1.26 -2.83 105.19 108.02 1s72 n GLY 62 Ca 0.43 0.33 -0.24 0.00 0.00 0.00 0.00 46.02 46.53 1s72 n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s72 s LYS 63 N 4.02 1.32 -0.22 1.61 2.20 0.18 -0.75 119.74 128.10 1s72 s LYS 63 Ca 0.00 -0.80 -0.10 0.00 -0.36 0.00 0.00 55.97 54.71 1s72 s LYS 63 Cb 0.00 -1.36 -0.05 0.00 -1.51 0.00 0.00 37.83 34.91 1s72 s LYS 63 CO 0.00 0.36 0.15 0.08 -0.36 0.00 0.00 175.35 175.58 1s72 s VAL 64 N -0.67 5.38 0.25 4.02 1.01 -0.55 -1.45 120.40 128.38 1s72 s VAL 64 Ca 0.06 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.31 1s72 s VAL 64 Cb -0.08 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1s72 s VAL 64 CO 0.01 0.38 0.15 -0.76 0.00 0.00 0.00 175.10 174.88 1s72 s LEU 65 N 0.80 3.69 -0.01 3.92 1.43 0.43 -1.82 118.68 127.12 1s72 s LEU 65 Ca 0.08 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1s72 s LEU 65 Cb -0.13 -2.23 0.07 0.00 0.03 0.00 0.00 46.19 43.93 1s72 s LEU 65 CO 0.02 -0.02 0.84 0.61 0.23 0.00 0.00 176.35 178.03 1s72 n GLY 66 N -1.05 0.45 3.82 -3.19 0.00 -1.26 -2.63 105.19 101.33 1s72 n GLY 66 Ca -0.08 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1s72 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s72 s SER 67 N -0.55 6.99 0.00 1.61 0.01 -1.26 -4.79 113.70 115.70 1s72 s SER 67 Ca 0.05 1.57 0.00 0.00 1.31 0.00 0.00 55.95 58.88 1s72 s SER 67 Cb 0.03 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1s72 s SER 67 CO 0.02 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1s72 n GLY 68 N -0.15 -2.84 3.22 3.44 0.00 -1.26 -0.77 105.19 106.83 1s72 n GLY 68 Ca 0.04 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 1s72 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s72 s VAL 69 N -0.70 1.85 -0.14 1.61 1.01 -1.26 -4.73 120.40 118.04 1s72 s VAL 69 Ca 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1s72 s VAL 69 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1s72 s VAL 69 CO 0.00 0.52 -0.19 -0.22 0.00 0.00 0.00 175.10 175.21 1s72 s LEU 70 N -0.09 2.29 -0.04 3.92 2.96 -1.26 -4.48 118.68 121.99 1s72 s LEU 70 Ca -0.04 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.36 1s72 s LEU 70 Cb -0.13 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 1s72 s LEU 70 CO 0.03 0.09 -0.01 0.00 -1.32 0.00 0.00 176.35 175.14 1s72 n GLN 71 N 3.99 1.86 -1.65 1.98 6.02 -1.26 -4.87 117.38 123.45 1s72 n GLN 71 Ca -0.19 0.01 -0.39 0.00 -0.01 0.00 0.00 57.00 56.41 1s72 n GLN 71 Cb 0.52 -1.09 0.03 0.00 1.02 0.00 0.00 30.24 30.72 1s72 n GLN 71 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1s72 n LYS 72 N -2.37 1.33 -2.89 -1.09 5.02 -1.26 -4.89 118.16 112.00 1s72 n LYS 72 Ca -0.07 0.49 -0.44 0.00 -2.02 0.00 0.00 58.31 56.27 1s72 n LYS 72 Cb 0.60 -2.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 1s72 n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1s72 n ASP 73 N -0.32 5.36 -4.67 4.39 2.03 -1.26 -4.56 116.55 117.51 1s72 n ASP 73 Ca 0.11 -3.06 -0.23 0.00 0.52 0.00 0.00 54.79 52.13 1s72 n ASP 73 Cb 0.43 -1.49 -0.07 0.00 -0.72 0.00 0.00 41.12 39.27 1s72 n ASP 73 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1s72 s VAL 74 N 0.40 3.24 -0.26 5.18 -7.23 -1.26 -4.57 120.40 115.90 1s72 s VAL 74 Ca 0.39 -1.84 -0.09 0.00 -1.81 0.00 0.00 61.98 58.63 1s72 s VAL 74 Cb -0.01 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 1s72 s VAL 74 CO -0.00 -0.29 0.11 -0.89 -0.31 0.00 0.00 175.10 173.72 1s72 s THR 75 N -2.38 4.69 -0.16 5.32 2.01 -1.26 -1.80 115.64 122.06 1s72 s THR 75 Ca 0.34 -0.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.25 1s72 s THR 75 Cb -0.04 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 1s72 s THR 75 CO 0.21 0.31 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.73 1s72 s VAL 76 N 1.65 3.97 -0.18 3.82 1.01 -0.13 -1.09 120.40 129.46 1s72 s VAL 76 Ca 0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1s72 s VAL 76 Cb -0.15 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.48 1s72 s VAL 76 CO 0.06 0.48 -0.15 0.00 0.00 0.00 0.00 175.10 175.50 1s72 s ALA 77 N 0.45 2.50 0.23 5.51 0.00 0.72 0.10 121.76 131.27 1s72 s ALA 77 Ca -0.03 -1.14 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 1s72 s ALA 77 Cb -0.14 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 1s72 s ALA 77 CO 0.03 -0.24 0.24 0.00 0.00 0.00 0.00 175.76 175.78 1s72 s ALA 78 N 1.14 0.86 0.23 0.00 0.00 -1.00 -0.45 121.76 122.55 1s72 s ALA 78 Ca 0.01 -1.52 -0.04 0.00 0.00 0.00 0.00 51.96 50.41 1s72 s ALA 78 Cb -0.14 1.31 0.23 0.00 0.00 0.00 0.00 23.12 24.52 1s72 s ALA 78 CO -0.06 -0.67 1.70 0.28 0.00 0.00 0.00 175.76 177.02 1s72 h VAL 79 N 2.48 1.26 -2.26 0.00 2.07 -1.03 -2.82 116.25 115.93 1s72 h VAL 79 Ca -0.33 -1.12 0.13 0.00 0.82 0.00 0.00 66.70 66.20 1s72 h VAL 79 Cb 1.25 0.93 -0.14 0.00 -1.52 0.00 0.00 31.29 31.81 1s72 h VAL 79 CO 0.47 0.39 0.50 -0.62 0.02 0.00 0.00 177.57 178.34 1s72 s ASP 80 N -6.65 -0.32 0.07 0.57 2.15 -1.21 -4.84 116.67 106.44 1s72 s ASP 80 Ca -0.10 -0.07 0.05 0.00 0.43 0.00 0.00 52.55 52.86 1s72 s ASP 80 Cb 0.14 0.39 -0.03 0.00 -0.30 0.00 0.00 42.92 43.13 1s72 s ASP 80 CO 0.83 -0.66 -0.14 -0.36 -0.17 0.00 0.00 175.17 174.67 1s72 s PHE 81 N -3.13 1.18 0.82 -5.34 0.40 -1.26 -1.48 117.98 109.17 1s72 s PHE 81 Ca 0.06 -0.46 -0.11 0.00 -0.60 0.00 0.00 56.93 55.82 1s72 s PHE 81 Cb -0.01 -0.67 0.08 0.00 0.51 0.00 0.00 43.02 42.94 1s72 s PHE 81 CO -0.07 0.05 1.10 -1.54 0.70 0.00 0.00 175.22 175.45 1s72 s SER 82 N -1.73 4.24 0.28 1.36 1.04 -0.76 -4.82 113.70 113.31 1s72 s SER 82 Ca -0.03 1.35 -0.03 0.00 0.48 0.00 0.00 55.95 57.73 1s72 s SER 82 Cb -0.10 -2.07 0.39 0.00 0.10 0.00 0.00 66.02 64.34 1s72 s SER 82 CO 0.02 -2.14 1.92 1.23 0.98 0.00 0.00 173.24 175.26 1s72 h GLY 83 N -1.20 1.37 1.24 7.32 0.00 -2.00 -2.28 103.07 107.52 1s72 h GLY 83 Ca -0.48 -0.47 -0.20 0.00 0.00 0.00 0.00 47.33 46.18 1s72 h GLY 83 CO 0.58 0.41 -0.68 -0.84 0.00 0.00 0.00 176.54 176.01 1s72 h THR 84 N 1.20 1.29 0.14 4.70 2.02 -1.96 -2.85 112.91 117.45 1s72 h THR 84 Ca 0.38 -1.89 -0.00 0.00 0.77 0.00 0.00 66.41 65.66 1s72 h THR 84 Cb 0.01 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1s72 h THR 84 CO -0.11 0.60 -0.11 0.00 0.37 0.00 0.00 175.52 176.27 1s72 h ALA 85 N 0.68 -0.24 -0.04 6.16 0.00 -1.78 -1.02 119.26 123.02 1s72 h ALA 85 Ca -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1s72 h ALA 85 Cb 1.29 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1s72 h ALA 85 CO 0.14 -0.65 0.03 1.49 0.00 0.00 0.00 179.25 180.27 1s72 h GLU 86 N -0.26 0.00 0.03 0.00 4.81 -1.47 -0.38 114.58 117.30 1s72 h GLU 86 Ca -0.01 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1s72 h GLU 86 Cb 0.23 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.62 1s72 h GLU 86 CO -0.01 0.00 -0.48 1.15 -0.73 0.00 0.00 179.01 178.95 1s72 h THR 87 N 0.00 1.51 -0.70 0.32 2.02 -1.16 -2.69 112.91 112.21 1s72 h THR 87 Ca 0.02 -2.14 -0.06 0.00 0.77 0.00 0.00 66.41 65.01 1s72 h THR 87 Cb 0.09 2.83 -0.03 0.00 -1.74 0.00 0.00 68.15 69.30 1s72 h THR 87 CO -0.00 0.60 0.22 0.11 0.37 0.00 0.00 175.52 176.82 1s72 h LYS 88 N -0.35 1.09 -0.56 6.66 1.57 -0.73 -3.05 116.57 121.19 1s72 h LYS 88 Ca -0.07 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.36 1s72 h LYS 88 Cb 1.25 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1s72 h LYS 88 CO 0.09 0.94 -0.09 0.82 -0.57 0.00 0.00 179.45 180.64 1s72 h ILE 89 N 1.03 1.27 0.00 1.86 2.04 -1.16 -2.91 117.51 119.63 1s72 h ILE 89 Ca 0.23 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.83 1s72 h ILE 89 Cb 0.31 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1s72 h ILE 89 CO -0.01 0.45 0.00 0.47 0.00 0.00 0.00 178.15 179.06 1s72 n ASP 90 N -4.15 0.00 0.06 1.72 8.00 -1.01 0.37 116.55 121.55 1s72 n ASP 90 Ca 0.02 0.42 -0.06 0.00 0.71 0.00 0.00 54.79 55.87 1s72 n ASP 90 Cb 0.40 -0.46 -0.11 0.00 -0.02 0.00 0.00 41.12 40.93 1s72 n ASP 90 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1s72 h GLN 91 N 0.00 0.00 0.00 -1.24 4.20 -1.43 -3.37 115.11 113.28 1s72 h GLN 91 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1s72 h GLN 91 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1s72 h GLN 91 CO 0.00 0.96 -0.12 1.33 -0.67 0.00 0.00 178.83 180.33 1s72 n VAL 92 N -3.34 0.00 0.00 -0.54 0.24 -1.07 -5.09 118.33 108.53 1s72 n VAL 92 Ca -0.00 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1s72 n VAL 92 Cb 0.93 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 34.24 1s72 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s72 n GLY 93 N 1.17 3.59 3.22 7.63 0.00 0.16 -4.03 105.19 116.93 1s72 n GLY 93 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1s72 n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s72 s GLU 94 N 4.13 0.34 -0.17 1.61 2.12 -0.75 -4.35 118.70 121.63 1s72 s GLU 94 Ca 0.00 0.77 -0.15 0.00 0.36 0.00 0.00 54.97 55.95 1s72 s GLU 94 Cb 0.00 -0.00 -0.04 0.00 0.26 0.00 0.00 34.13 34.34 1s72 s GLU 94 CO 0.00 -0.18 0.33 0.00 -0.54 0.00 0.00 175.26 174.87 1s72 s ALA 95 N 1.57 3.57 0.04 6.30 0.00 -1.26 -0.95 121.76 131.03 1s72 s ALA 95 Ca -0.08 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.45 1s72 s ALA 95 Cb -0.09 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.54 1s72 s ALA 95 CO -0.12 -0.02 -0.10 0.08 0.00 0.00 0.00 175.76 175.59 1s72 s VAL 96 N 0.71 0.79 0.36 0.00 1.01 0.12 -4.95 120.40 118.45 1s72 s VAL 96 Ca 0.17 -0.97 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 1s72 s VAL 96 Cb -0.14 -0.77 -0.10 0.00 0.00 0.00 0.00 36.38 35.37 1s72 s VAL 96 CO 0.05 -0.16 0.90 -0.94 0.00 0.00 0.00 175.10 174.95 1s72 s SER 97 N -1.26 7.06 0.64 3.32 1.04 -1.26 -2.36 113.70 120.89 1s72 s SER 97 Ca -0.03 1.66 0.37 0.00 0.48 0.00 0.00 55.95 58.42 1s72 s SER 97 Cb -0.08 -2.52 2.05 0.00 0.10 0.00 0.00 66.02 65.57 1s72 s SER 97 CO 0.01 -0.20 2.21 -0.07 0.98 0.00 0.00 173.24 176.17 1s72 h LEU 98 N 2.53 0.00 -0.60 2.42 4.07 -1.82 0.14 115.31 122.05 1s72 h LEU 98 Ca -0.48 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.33 1s72 h LEU 98 Cb 1.18 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.91 1s72 h LEU 98 CO 0.63 0.00 -0.68 -0.33 -1.08 0.00 0.00 178.44 176.98 1s72 h GLU 99 N 0.00 0.08 0.25 1.13 3.07 -1.91 -1.99 114.58 115.22 1s72 h GLU 99 Ca 0.02 -0.07 -0.34 0.00 -0.50 0.00 0.00 59.36 58.47 1s72 h GLU 99 Cb 0.24 0.01 0.04 0.00 -0.84 0.00 0.00 28.75 28.20 1s72 h GLU 99 CO -0.00 0.73 -1.48 1.96 -1.40 0.00 0.00 179.01 178.83 1s72 h GLN 100 N 0.06 0.54 0.05 2.33 4.20 -1.15 -3.23 115.11 117.91 1s72 h GLN 100 Ca -0.01 -0.92 0.03 0.00 0.06 0.00 0.00 58.65 57.81 1s72 h GLN 100 Cb 1.21 0.34 -0.04 0.00 0.30 0.00 0.00 27.48 29.29 1s72 h GLN 100 CO 0.10 1.44 -0.28 0.00 -0.67 0.00 0.00 178.83 179.41 1s72 h ALA 101 N 0.15 -0.43 -0.83 3.87 0.00 -1.21 0.92 119.26 121.73 1s72 h ALA 101 Ca -0.26 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 54.86 1s72 h ALA 101 Cb 2.16 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 20.39 1s72 h ALA 101 CO 0.27 -0.80 0.58 0.82 0.00 0.00 0.00 179.25 180.12 1s72 h ILE 102 N -0.46 0.61 0.05 0.00 2.04 -1.46 0.13 117.51 118.42 1s72 h ILE 102 Ca 0.05 -0.03 -0.14 0.00 1.00 0.00 0.00 64.86 65.75 1s72 h ILE 102 Cb 0.52 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1s72 h ILE 102 CO -0.21 0.01 -0.68 -0.08 0.00 0.00 0.00 178.15 177.20 1s72 h GLU 103 N 0.08 0.12 0.00 2.37 4.81 -1.12 -2.48 114.58 118.36 1s72 h GLU 103 Ca 0.40 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1s72 h GLU 103 Cb 1.47 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.93 1s72 h GLU 103 CO -0.04 1.09 0.00 0.09 -0.73 0.00 0.00 179.01 179.43 1s72 n ASN 104 N -4.34 0.00 -2.73 1.04 3.02 0.15 -4.25 115.26 108.16 1s72 n ASN 104 Ca -0.18 -0.03 -0.07 0.00 -0.03 0.00 0.00 54.58 54.27 1s72 n ASN 104 Cb 0.67 -0.29 0.06 0.00 -0.61 0.00 0.00 39.78 39.62 1s72 n ASN 104 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1s72 n ASN 105 N -1.29 -2.44 0.26 6.41 5.15 -0.00 -5.00 115.26 118.35 1s72 n ASN 105 Ca 0.11 -2.93 0.17 0.00 -0.60 0.00 0.00 54.58 51.33 1s72 n ASN 105 Cb 0.18 1.55 0.81 0.00 -0.53 0.00 0.00 39.78 41.80 1s72 n ASN 105 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1s72 h PRO 106 N 3.69 0.00 0.00 1.20 0.13 -1.62 -1.10 132.00 134.31 1s72 h PRO 106 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1s72 h PRO 106 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1s72 h PRO 106 CO 0.18 0.00 -0.06 0.39 -0.23 0.00 0.00 178.00 178.29 1s72 n GLU 107 N -2.85 0.20 -3.54 0.86 4.71 -1.26 -3.88 120.64 114.89 1s72 n GLU 107 Ca -0.01 0.16 -0.24 0.00 -0.01 0.00 0.00 57.16 57.06 1s72 n GLU 107 Cb 0.19 -1.73 0.05 0.00 -1.01 0.00 0.00 31.44 28.94 1s72 n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s72 n GLY 108 N 1.35 -0.93 3.77 0.62 0.00 -0.42 -2.97 105.19 106.62 1s72 n GLY 108 Ca 0.06 0.44 -0.26 0.00 0.00 0.00 0.00 46.02 46.26 1s72 n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s72 s SER 109 N -3.60 5.38 -1.28 1.61 1.04 -1.26 -4.62 113.70 110.97 1s72 s SER 109 Ca 0.39 -0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.62 1s72 s SER 109 Cb -0.10 -1.36 -0.00 0.00 0.10 0.00 0.00 66.02 64.65 1s72 s SER 109 CO 0.81 0.07 0.71 1.41 0.98 0.00 0.00 173.24 177.23 1s72 n HIS 110 N -0.32 -1.93 -4.56 5.02 8.25 -1.26 -4.85 115.22 115.57 1s72 n HIS 110 Ca -0.09 0.81 -0.27 0.00 -0.26 0.00 0.00 57.72 57.91 1s72 n HIS 110 Cb 0.55 -4.29 -0.14 0.00 1.12 0.00 0.00 29.99 27.23 1s72 n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1s72 s VAL 111 N -3.64 1.88 -0.18 1.59 0.11 -1.26 -1.35 120.40 117.54 1s72 s VAL 111 Ca 0.07 -1.43 -0.00 0.00 -2.93 0.00 0.00 61.98 57.69 1s72 s VAL 111 Cb -0.02 -1.65 0.05 0.00 -1.53 0.00 0.00 36.38 33.23 1s72 s VAL 111 CO 0.81 0.15 -0.05 -0.60 -3.33 0.00 0.00 175.10 172.09 1s72 s ARG 112 N -1.54 1.42 -0.01 1.54 6.06 0.39 -4.91 118.95 121.91 1s72 s ARG 112 Ca 0.09 -0.60 -0.30 0.00 -2.50 0.00 0.00 55.73 52.42 1s72 s ARG 112 Cb -0.10 -2.13 -0.04 0.00 0.06 0.00 0.00 34.95 32.75 1s72 s ARG 112 CO 0.03 -0.48 1.10 0.08 -2.50 0.00 0.00 175.30 173.53 1s72 s VAL 113 N 1.60 4.47 -0.06 7.11 1.01 -1.26 -0.54 120.40 132.73 1s72 s VAL 113 Ca -0.01 1.77 0.02 0.00 0.00 0.00 0.00 61.98 63.77 1s72 s VAL 113 Cb -0.16 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.10 1s72 s VAL 113 CO -0.07 0.09 -0.12 -0.63 0.00 0.00 0.00 175.10 174.36 1s72 s ILE 114 N 1.45 1.09 0.00 2.22 -1.09 -0.40 -4.91 121.20 119.56 1s72 s ILE 114 Ca 0.54 -0.46 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 1s72 s ILE 114 Cb -0.24 -0.99 0.00 0.00 -1.58 0.00 0.00 42.46 39.65 1s72 s ILE 114 CO 0.25 0.34 0.12 -2.11 -1.23 0.00 0.00 174.94 172.31