#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1frm s PHE 2 N 0.00 3.48 -0.05 0.00 0.40 -1.26 -1.73 117.98 118.82 1frm s PHE 2 Ca 0.00 0.12 0.04 0.00 -0.60 0.00 0.00 56.93 56.49 1frm s PHE 2 Cb 0.00 -1.67 -0.00 0.00 0.51 0.00 0.00 43.02 41.86 1frm s PHE 2 CO 0.00 0.52 -0.17 0.08 0.70 0.00 0.00 175.22 176.35 1frm s VAL 3 N -1.73 1.42 -0.03 -0.44 1.01 0.12 -4.67 120.40 116.08 1frm s VAL 3 Ca 0.34 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 1frm s VAL 3 Cb -0.11 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1frm s VAL 3 CO 0.28 0.41 0.59 -0.69 0.00 0.00 0.00 175.10 175.70 1frm s VAL 4 N 0.15 4.98 0.00 2.92 1.01 -1.26 -1.91 120.40 126.29 1frm s VAL 4 Ca -0.06 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.14 1frm s VAL 4 Cb -0.12 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1frm s VAL 4 CO 0.03 0.38 0.00 0.35 0.00 0.00 0.00 175.10 175.86 1frm n THR 5 N 3.03 0.00 -0.36 3.92 -2.24 -0.02 -4.89 114.28 113.73 1frm n THR 5 Ca -0.06 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.80 1frm n THR 5 Cb 0.51 -0.34 0.25 0.00 -2.10 0.00 0.00 70.33 68.65 1frm n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1frm h ASP 6 N 0.00 0.89 0.76 3.42 3.58 -1.94 -2.76 116.42 120.36 1frm h ASP 6 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1frm h ASP 6 Cb 0.00 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.93 1frm h ASP 6 CO 0.00 0.45 0.00 -3.20 -2.88 0.00 0.00 179.24 173.61 1frm n ASN 7 N -4.65 0.27 -0.05 2.28 5.15 -1.26 -1.73 115.26 115.26 1frm n ASN 7 Ca 0.19 0.55 -0.06 0.00 -0.60 0.00 0.00 54.58 54.67 1frm n ASN 7 Cb 0.38 -0.61 0.13 0.00 -0.53 0.00 0.00 39.78 39.15 1frm n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1frm n ILE 9 N -4.12 0.15 -1.20 0.00 5.41 -0.71 -0.63 119.36 118.26 1frm n ILE 9 Ca 0.00 -0.03 -0.07 0.00 1.00 0.00 0.00 62.75 63.65 1frm n ILE 9 Cb 0.42 -1.86 -0.03 0.00 -0.71 0.00 0.00 39.64 37.46 1frm n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1frm n LYS 10 N 4.47 -1.18 0.02 0.38 5.02 -0.56 -4.79 118.16 121.52 1frm n LYS 10 Ca 0.17 0.67 -0.01 0.00 -2.02 0.00 0.00 58.31 57.12 1frm n LYS 10 Cb 0.33 -4.73 -0.00 0.00 -0.02 0.00 0.00 35.03 30.61 1frm n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1frm n LYS 12 N -3.19 -1.10 0.12 0.00 4.81 -0.33 -2.27 118.16 116.20 1frm n LYS 12 Ca -0.01 0.60 -0.01 0.00 -0.87 0.00 0.00 58.31 58.01 1frm n LYS 12 Cb 0.05 -3.11 0.24 0.00 0.02 0.00 0.00 35.03 32.23 1frm n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1frm h TYR 13 N -1.16 0.18 0.00 5.64 0.05 -1.90 -3.29 116.97 116.50 1frm h TYR 13 Ca -0.59 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.14 1frm h TYR 13 Cb 1.35 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 39.05 1frm h TYR 13 CO 0.28 0.57 0.00 0.25 -1.05 0.00 0.00 178.16 178.21 1frm n THR 14 N -4.01 0.00 -0.18 -2.88 -2.24 -1.26 -4.08 114.28 99.64 1frm n THR 14 Ca -0.02 0.00 0.29 0.00 -2.27 0.00 0.00 64.05 62.05 1frm n THR 14 Cb 0.48 -0.84 0.73 0.00 -2.10 0.00 0.00 70.33 68.60 1frm n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1frm h ASP 15 N 0.00 0.00 -0.10 3.42 3.32 -1.88 -1.62 116.42 119.55 1frm h ASP 15 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1frm h ASP 15 Cb 0.70 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1frm h ASP 15 CO 0.00 0.00 -0.03 0.00 -1.72 0.00 0.00 179.24 177.49 1frm h VAL 17 N 0.32 0.00 -0.92 0.00 -1.51 -1.68 -3.05 116.25 109.42 1frm h VAL 17 Ca 0.07 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1frm h VAL 17 Cb 0.26 1.37 -0.05 0.00 -2.13 0.00 0.00 31.29 30.75 1frm h VAL 17 CO 0.01 0.00 0.59 -0.33 -1.23 0.00 0.00 177.57 176.61 1frm h GLU 18 N 0.00 1.22 -0.01 5.19 3.07 -1.59 -3.05 114.58 119.41 1frm h GLU 18 Ca 0.00 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1frm h GLU 18 Cb 0.51 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1frm h GLU 18 CO 0.00 0.82 -0.20 1.55 -1.40 0.00 0.00 179.01 179.78 1frm n VAL 19 N -4.38 0.00 -2.44 3.13 3.14 -1.15 -4.91 118.33 111.72 1frm n VAL 19 Ca 0.10 -0.23 -0.43 0.00 -2.96 0.00 0.00 64.34 60.82 1frm n VAL 19 Cb 0.03 0.73 -0.02 0.00 -1.06 0.00 0.00 33.84 33.52 1frm n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1frm h PRO 21 N 8.32 0.00 -0.36 0.00 0.13 -1.92 -3.28 132.00 134.89 1frm h PRO 21 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1frm h PRO 21 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1frm h PRO 21 CO 0.98 0.47 0.00 1.33 -0.23 0.00 0.00 178.00 180.55 1frm n VAL 22 N -3.76 0.94 -3.75 1.56 0.24 -1.26 -5.00 118.33 107.30 1frm n VAL 22 Ca -0.01 -0.97 -0.33 0.00 -2.04 0.00 0.00 64.34 60.99 1frm n VAL 22 Cb 0.53 0.54 0.03 0.00 -1.47 0.00 0.00 33.84 33.47 1frm n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1frm n ASP 23 N 0.60 -5.17 -1.68 -1.34 8.00 -1.24 -4.95 116.55 110.77 1frm n ASP 23 Ca 0.12 -1.03 -0.17 0.00 0.71 0.00 0.00 54.79 54.42 1frm n ASP 23 Cb 0.43 -2.97 0.13 0.00 -0.02 0.00 0.00 41.12 38.70 1frm n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1frm s PHE 25 N -3.45 3.52 -0.01 0.00 0.40 -1.26 -0.71 117.98 116.47 1frm s PHE 25 Ca 0.51 0.47 0.04 0.00 -0.60 0.00 0.00 56.93 57.35 1frm s PHE 25 Cb 0.43 -1.91 -0.01 0.00 0.51 0.00 0.00 43.02 42.04 1frm s PHE 25 CO 0.01 0.69 -0.12 0.71 0.70 0.00 0.00 175.22 177.21 1frm s TYR 26 N -1.00 1.10 -0.23 0.36 1.51 -0.64 -1.45 117.35 117.01 1frm s TYR 26 Ca 0.15 -0.21 -0.10 0.00 -1.01 0.00 0.00 57.07 55.90 1frm s TYR 26 Cb -0.12 -0.71 -0.05 0.00 -0.11 0.00 0.00 41.96 40.97 1frm s TYR 26 CO 0.04 -0.02 0.14 -2.00 -1.11 0.00 0.00 175.55 172.59 1frm s GLU 27 N -0.28 4.04 0.46 -0.62 2.12 0.61 -1.40 118.70 123.63 1frm s GLU 27 Ca 0.05 -0.29 0.05 0.00 0.36 0.00 0.00 54.97 55.13 1frm s GLU 27 Cb -0.05 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1frm s GLU 27 CO -0.00 0.10 0.08 0.20 -0.54 0.00 0.00 175.26 175.10 1frm s GLY 28 N 0.91 2.66 0.29 -1.50 0.00 -0.57 -3.84 107.32 105.26 1frm s GLY 28 Ca 0.07 -1.43 0.02 0.00 0.00 0.00 0.00 44.72 43.38 1frm s GLY 28 CO 0.03 -2.08 1.82 -2.55 0.00 0.00 0.00 173.10 170.31 1frm h PRO 29 N 1.43 0.90 -0.06 2.90 0.11 -1.86 -3.27 132.00 132.14 1frm h PRO 29 Ca -0.43 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.44 1frm h PRO 29 Cb 1.28 -0.20 -0.35 0.00 0.11 0.00 0.00 31.00 31.84 1frm h PRO 29 CO 0.74 0.59 -0.93 0.27 -0.21 0.00 0.00 178.00 178.46 1frm n ASN 30 N -4.67 0.74 -3.56 -2.05 6.94 -1.26 -5.04 115.26 106.36 1frm n ASN 30 Ca 0.20 -2.01 -0.11 0.00 -0.02 0.00 0.00 54.58 52.64 1frm n ASN 30 Cb 0.42 -0.22 -0.05 0.00 -2.36 0.00 0.00 39.78 37.57 1frm n ASN 30 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1frm s PHE 31 N -0.55 -0.39 0.13 -2.53 5.36 -1.24 -1.49 117.98 117.27 1frm s PHE 31 Ca 0.28 0.60 0.08 0.00 -0.96 0.00 0.00 56.93 56.93 1frm s PHE 31 Cb 0.33 0.46 -0.04 0.00 -0.34 0.00 0.00 43.02 43.43 1frm s PHE 31 CO -0.13 -0.39 -0.12 -0.51 -1.46 0.00 0.00 175.22 172.61 1frm s LEU 32 N -1.34 2.94 0.20 6.12 1.02 -1.26 -1.51 118.68 124.85 1frm s LEU 32 Ca -0.01 -0.48 0.08 0.00 0.02 0.00 0.00 54.13 53.73 1frm s LEU 32 Cb -0.00 -1.72 -0.05 0.00 0.02 0.00 0.00 46.19 44.44 1frm s LEU 32 CO 0.01 0.16 -0.15 0.68 0.02 0.00 0.00 176.35 177.06 1frm s VAL 33 N -1.33 1.76 -0.16 -1.59 -7.23 -0.49 -4.73 120.40 106.63 1frm s VAL 33 Ca 0.21 -2.18 -0.05 0.00 -1.81 0.00 0.00 61.98 58.15 1frm s VAL 33 Cb -0.10 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 1frm s VAL 33 CO 0.13 -0.56 0.03 -0.63 -0.31 0.00 0.00 175.10 173.76 1frm s ILE 34 N -2.86 4.48 -0.34 -0.62 1.01 -1.26 -1.62 121.20 119.99 1frm s ILE 34 Ca 0.22 -0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.43 1frm s ILE 34 Cb -0.01 -2.98 0.02 0.00 0.01 0.00 0.00 42.46 39.49 1frm s ILE 34 CO 0.07 0.50 1.12 -2.28 0.00 0.00 0.00 174.94 174.34 1frm s HIS 35 N 0.13 3.04 0.49 3.97 5.65 0.11 -4.53 115.29 124.15 1frm s HIS 35 Ca 0.03 1.08 0.19 0.00 0.25 0.00 0.00 55.06 56.61 1frm s HIS 35 Cb -0.13 -3.84 1.30 0.00 -1.18 0.00 0.00 32.58 28.73 1frm s HIS 35 CO 0.01 -0.97 2.10 -1.00 -0.65 0.00 0.00 174.74 174.24 1frm h PRO 36 N 8.43 0.00 0.02 2.88 0.13 -1.89 -1.49 132.00 140.08 1frm h PRO 36 Ca -0.22 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.70 1frm h PRO 36 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1frm h PRO 36 CO 1.05 0.08 -0.97 -0.44 -0.23 0.00 0.00 178.00 177.49 1frm h ASP 37 N 0.00 0.14 0.79 1.44 3.32 -1.99 -3.31 116.42 116.79 1frm h ASP 37 Ca -0.00 -0.13 -0.25 0.00 0.02 0.00 0.00 57.03 56.67 1frm h ASP 37 Cb 0.16 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1frm h ASP 37 CO 0.01 1.03 -1.25 -0.33 -1.72 0.00 0.00 179.24 176.98 1frm h GLU 38 N 0.04 0.05 -6.77 3.56 5.08 -1.69 -3.47 114.58 111.38 1frm h GLU 38 Ca -0.04 -0.09 -0.55 0.00 -1.00 0.00 0.00 59.36 57.68 1frm h GLU 38 Cb 1.67 0.03 0.09 0.00 0.50 0.00 0.00 28.75 31.05 1frm h GLU 38 CO 0.14 0.92 0.76 0.00 -1.00 0.00 0.00 179.01 179.82 1frm n ILE 40 N 1.54 1.60 -2.87 0.00 -5.35 -1.26 -4.79 119.36 108.23 1frm n ILE 40 Ca 0.07 -1.21 -0.18 0.00 -0.27 0.00 0.00 62.75 61.16 1frm n ILE 40 Cb 0.36 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 1frm n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1frm n ASP 41 N 0.93 -4.31 0.03 7.28 8.00 -1.26 -4.83 116.55 122.39 1frm n ASP 41 Ca 0.23 -0.11 0.07 0.00 0.71 0.00 0.00 54.79 55.69 1frm n ASP 41 Cb 0.77 -3.58 0.31 0.00 -0.02 0.00 0.00 41.12 38.60 1frm n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1frm n ALA 43 N -1.56 -0.06 0.23 0.00 0.00 -1.26 -4.87 120.51 112.99 1frm n ALA 43 Ca 0.03 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1frm n ALA 43 Cb 0.15 -1.61 0.48 0.00 0.00 0.00 0.00 19.45 18.48 1frm n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1frm h LEU 44 N 0.00 0.00 0.04 0.00 4.07 -1.91 -3.27 115.31 114.24 1frm h LEU 44 Ca -0.08 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.62 1frm h LEU 44 Cb 1.07 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 1frm h LEU 44 CO 0.12 0.17 -1.26 0.00 -1.08 0.00 0.00 178.44 176.39 1frm h ALA 46 N 0.84 1.14 0.00 0.00 0.00 -1.88 -1.16 119.26 118.21 1frm h ALA 46 Ca -0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1frm h ALA 46 Cb 1.89 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1frm h ALA 46 CO 0.14 0.33 -0.20 -1.35 0.00 0.00 0.00 179.25 178.16 1frm h PRO 47 N 1.01 0.00 0.00 0.00 0.11 -1.77 -3.13 132.00 128.21 1frm h PRO 47 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1frm h PRO 47 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1frm h PRO 47 CO -0.14 0.20 -0.19 0.39 -0.21 0.00 0.00 178.00 178.05 1frm n GLU 48 N -3.48 0.23 -2.25 1.05 -0.58 -0.46 -4.84 120.64 110.31 1frm n GLU 48 Ca -0.01 0.15 -0.43 0.00 -0.42 0.00 0.00 57.16 56.46 1frm n GLU 48 Cb 0.37 -1.73 -0.02 0.00 -0.57 0.00 0.00 31.44 29.49 1frm n GLU 48 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1frm h PRO 50 N 8.82 0.67 0.00 0.00 0.11 -1.92 -2.40 132.00 137.28 1frm h PRO 50 Ca -0.32 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1frm h PRO 50 Cb 1.13 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1frm h PRO 50 CO 0.97 0.74 0.00 0.00 -0.21 0.00 0.00 178.00 179.50 1frm n ALA 51 N -2.48 2.48 -3.97 -0.75 0.00 -1.26 -4.87 120.51 109.65 1frm n ALA 51 Ca 0.01 -0.12 -0.27 0.00 0.00 0.00 0.00 53.44 53.07 1frm n ALA 51 Cb 0.33 -1.31 -0.08 0.00 0.00 0.00 0.00 19.45 18.39 1frm n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1frm n GLN 52 N -0.84 -0.92 0.00 0.00 1.13 -0.91 -4.81 117.38 111.03 1frm n GLN 52 Ca 0.14 0.08 0.11 0.00 -1.94 0.00 0.00 57.00 55.40 1frm n GLN 52 Cb 0.07 -3.05 0.13 0.00 0.11 0.00 0.00 30.24 27.49 1frm n GLN 52 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1frm n ALA 53 N -3.82 3.95 -2.72 -1.58 0.00 -1.26 -4.93 120.51 110.14 1frm n ALA 53 Ca -0.21 -0.44 -0.37 0.00 0.00 0.00 0.00 53.44 52.43 1frm n ALA 53 Cb 0.53 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 1frm n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1frm s ILE 54 N -2.99 5.32 0.03 0.00 1.01 -1.26 -0.84 121.20 122.47 1frm s ILE 54 Ca 0.10 0.47 0.01 0.00 0.00 0.00 0.00 60.65 61.23 1frm s ILE 54 Cb 0.17 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 1frm s ILE 54 CO 0.75 0.52 -0.06 -0.36 0.00 0.00 0.00 174.94 175.80 1frm s PHE 55 N -0.46 0.50 0.40 3.97 0.40 -0.80 -4.82 117.98 117.17 1frm s PHE 55 Ca 0.17 -0.46 -0.27 0.00 -0.60 0.00 0.00 56.93 55.77 1frm s PHE 55 Cb -0.13 -0.31 -0.09 0.00 0.51 0.00 0.00 43.02 42.99 1frm s PHE 55 CO 0.06 -0.11 1.39 0.45 0.70 0.00 0.00 175.22 177.71 1frm s SER 56 N -1.39 6.25 0.30 1.36 0.15 -1.26 0.14 113.70 119.26 1frm s SER 56 Ca -0.11 2.86 0.06 0.00 0.70 0.00 0.00 55.95 59.46 1frm s SER 56 Cb -0.09 -2.65 0.82 0.00 -1.71 0.00 0.00 66.02 62.38 1frm s SER 56 CO -0.00 -0.91 1.67 -0.08 1.20 0.00 0.00 173.24 175.11 1frm h GLU 57 N 2.76 0.29 -0.02 5.44 4.81 -1.67 0.17 114.58 126.37 1frm h GLU 57 Ca -0.50 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1frm h GLU 57 Cb 1.25 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1frm h GLU 57 CO 0.63 0.19 0.00 -0.40 -0.73 0.00 0.00 179.01 178.70 1frm n ASP 58 N -5.12 0.22 -0.02 1.04 5.68 -1.26 -2.75 116.55 114.33 1frm n ASP 58 Ca 0.24 -1.40 0.01 0.00 -0.50 0.00 0.00 54.79 53.14 1frm n ASP 58 Cb 0.76 -0.01 0.01 0.00 -1.14 0.00 0.00 41.12 40.74 1frm n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1frm n GLU 59 N -0.67 1.98 -1.77 0.11 1.02 0.57 -5.03 120.64 116.85 1frm n GLU 59 Ca 0.15 -1.32 -0.42 0.00 -0.02 0.00 0.00 57.16 55.55 1frm n GLU 59 Cb 0.10 -0.90 -0.03 0.00 -0.02 0.00 0.00 31.44 30.60 1frm n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1frm s VAL 60 N -0.88 2.35 0.74 2.62 1.01 -1.05 -4.84 120.40 120.36 1frm s VAL 60 Ca 0.03 0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 1frm s VAL 60 Cb 0.02 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1frm s VAL 60 CO 0.00 0.01 0.82 -2.65 0.00 0.00 0.00 175.10 173.28 1frm n PRO 61 N 4.59 0.35 -0.32 2.72 -0.02 -1.26 -4.83 135.00 136.23 1frm n PRO 61 Ca 0.16 0.17 0.02 0.00 -2.02 0.00 0.00 63.50 61.83 1frm n PRO 61 Cb 0.37 -2.10 0.15 0.00 -0.02 0.00 0.00 33.50 31.91 1frm n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1frm h GLU 62 N -0.44 0.96 -0.23 -0.52 4.22 -2.02 -1.25 114.58 115.30 1frm h GLU 62 Ca -0.46 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 58.92 1frm h GLU 62 Cb 1.33 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1frm h GLU 62 CO 0.45 0.63 0.00 -0.40 -2.18 0.00 0.00 179.01 177.51 1frm n ASP 63 N -4.61 0.47 -0.13 1.04 5.75 -1.26 -3.14 116.55 114.67 1frm n ASP 63 Ca 0.13 -2.01 0.03 0.00 -0.01 0.00 0.00 54.79 52.93 1frm n ASP 63 Cb 0.20 -0.13 0.05 0.00 -1.03 0.00 0.00 41.12 40.21 1frm n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1frm n MET 64 N -0.28 1.28 0.09 0.11 2.81 -0.48 -4.84 117.12 115.81 1frm n MET 64 Ca 0.02 -1.58 0.17 0.00 -1.81 0.00 0.00 57.70 54.50 1frm n MET 64 Cb 0.09 -0.97 0.71 0.00 -0.71 0.00 0.00 33.22 32.34 1frm n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1frm h GLN 65 N 0.00 0.00 -0.09 0.03 1.08 -1.50 -0.11 115.11 114.52 1frm h GLN 65 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1frm h GLN 65 Cb 0.94 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.36 1frm h GLN 65 CO 0.00 0.00 0.01 0.93 -0.95 0.00 0.00 178.83 178.82 1frm h GLU 66 N 0.00 0.12 0.00 1.46 3.07 -1.88 -2.47 114.58 114.89 1frm h GLU 66 Ca 0.18 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1frm h GLU 66 Cb 0.74 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1frm h GLU 66 CO -0.00 0.13 -0.01 0.74 -1.40 0.00 0.00 179.01 178.46 1frm h PHE 67 N 0.13 0.00 0.18 4.33 0.04 -1.36 -2.35 116.94 117.90 1frm h PHE 67 Ca 0.03 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1frm h PHE 67 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1frm h PHE 67 CO 0.00 0.01 -0.09 0.82 -0.60 0.00 0.00 178.31 178.46 1frm h ILE 68 N 0.00 0.90 -0.03 -0.55 2.04 -1.62 -1.07 117.51 117.18 1frm h ILE 68 Ca -0.00 -0.43 -0.15 0.00 1.00 0.00 0.00 64.86 65.28 1frm h ILE 68 Cb 0.28 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1frm h ILE 68 CO 0.00 0.10 -0.68 -0.61 0.00 0.00 0.00 178.15 176.97 1frm h GLN 69 N -0.46 0.13 -0.79 2.37 4.15 -1.71 -2.94 115.11 115.86 1frm h GLN 69 Ca -0.03 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.26 1frm h GLN 69 Cb 0.35 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.03 1frm h GLN 69 CO 0.04 0.76 0.39 1.25 -1.93 0.00 0.00 178.83 179.34 1frm h LEU 70 N 0.09 1.02 -0.67 -2.39 6.46 -1.13 -1.40 115.31 117.29 1frm h LEU 70 Ca -0.01 -0.12 0.01 0.00 -0.12 0.00 0.00 57.88 57.63 1frm h LEU 70 Cb 1.20 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.84 1frm h LEU 70 CO 0.10 0.86 0.44 0.78 -0.62 0.00 0.00 178.44 179.99 1frm h ASN 71 N 1.11 0.76 -0.27 1.25 2.35 -1.09 0.57 115.58 120.26 1frm h ASN 71 Ca 0.27 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.98 1frm h ASN 71 Cb 0.09 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1frm h ASN 71 CO -0.04 0.55 0.07 0.00 -1.65 0.00 0.00 177.43 176.36 1frm h ALA 72 N 1.25 0.35 -0.08 -0.83 0.00 -1.26 -1.71 119.26 116.99 1frm h ALA 72 Ca 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1frm h ALA 72 Cb -0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1frm h ALA 72 CO -0.06 0.00 -0.02 0.93 0.00 0.00 0.00 179.25 180.11 1frm h GLU 73 N 0.26 0.16 0.00 0.00 4.39 -1.09 -3.17 114.58 115.13 1frm h GLU 73 Ca 0.08 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1frm h GLU 73 Cb 0.28 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1frm h GLU 73 CO 0.00 0.47 0.00 -0.07 -1.16 0.00 0.00 179.01 178.25 1frm h LEU 74 N -0.17 0.00 -0.86 1.33 3.38 -0.83 -2.72 115.31 115.44 1frm h LEU 74 Ca 0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1frm h LEU 74 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1frm h LEU 74 CO 0.01 0.00 -0.43 0.00 0.09 0.00 0.00 178.44 178.11 1frm h ALA 75 N 2.25 0.98 0.00 1.53 0.00 -1.28 -0.02 119.26 122.72 1frm h ALA 75 Ca 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1frm h ALA 75 Cb 0.56 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1frm h ALA 75 CO 0.00 0.54 -0.15 0.93 0.00 0.00 0.00 179.25 180.56 1frm h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.51 -3.36 114.58 114.09 1frm h GLU 76 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1frm h GLU 76 Cb 0.96 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1frm h GLU 76 CO 0.06 0.15 -1.14 1.33 -1.16 0.00 0.00 179.01 178.25 1frm n VAL 77 N -3.18 0.00 -2.98 3.13 0.24 -0.50 -5.02 118.33 110.02 1frm n VAL 77 Ca 0.02 -0.20 -0.30 0.00 -2.04 0.00 0.00 64.34 61.82 1frm n VAL 77 Cb 0.51 0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 33.32 1frm n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1frm s TRP 78 N -2.35 3.48 0.44 6.34 0.51 -0.14 -5.08 118.94 122.13 1frm s TRP 78 Ca -0.02 0.92 -0.23 0.00 -2.12 0.00 0.00 56.10 54.65 1frm s TRP 78 Cb 0.05 -2.34 -0.08 0.00 -0.81 0.00 0.00 33.47 30.29 1frm s TRP 78 CO 0.31 -0.04 1.09 -1.25 -0.51 0.00 0.00 176.95 176.55 1frm s PRO 79 N -3.82 3.93 0.27 4.98 0.04 -1.25 -4.68 135.00 134.47 1frm s PRO 79 Ca 0.49 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.82 1frm s PRO 79 Cb -0.10 -2.41 -0.11 0.00 0.04 0.00 0.00 34.50 31.92 1frm s PRO 79 CO 0.32 -0.36 1.52 1.21 0.04 0.00 0.00 177.00 179.73 1frm s ASN 80 N -1.56 6.51 -0.13 6.66 3.04 -1.26 -0.29 114.94 127.91 1frm s ASN 80 Ca 0.62 2.81 0.01 0.00 0.04 0.00 0.00 52.86 56.34 1frm s ASN 80 Cb -0.24 -2.63 -0.00 0.00 -1.54 0.00 0.00 41.25 36.84 1frm s ASN 80 CO 0.29 -0.81 -0.17 -0.51 -3.04 0.00 0.00 177.10 172.86 1frm s ILE 81 N 0.03 2.62 -0.02 -5.21 2.07 -0.53 -4.78 121.20 115.39 1frm s ILE 81 Ca 0.62 -0.80 0.00 0.00 -1.41 0.00 0.00 60.65 59.06 1frm s ILE 81 Cb -0.45 -2.08 -0.00 0.00 0.13 0.00 0.00 42.46 40.06 1frm s ILE 81 CO 0.45 0.53 0.18 0.35 -1.91 0.00 0.00 174.94 174.54 1frm n THR 82 N 3.79 0.00 -5.20 4.00 -2.24 -1.26 -4.46 114.28 108.90 1frm n THR 82 Ca -0.19 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.78 1frm n THR 82 Cb 0.52 1.00 -0.16 0.00 -2.10 0.00 0.00 70.33 69.59 1frm n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1frm s GLU 83 N -0.68 2.61 0.84 -0.78 2.02 -1.26 -4.84 118.70 116.61 1frm s GLU 83 Ca 0.00 -0.87 -0.14 0.00 0.02 0.00 0.00 54.97 53.98 1frm s GLU 83 Cb 0.00 -2.21 0.04 0.00 0.10 0.00 0.00 34.13 32.06 1frm s GLU 83 CO 0.01 0.39 0.73 1.17 0.02 0.00 0.00 175.26 177.58 1frm n LYS 84 N 2.94 -0.00 -2.89 1.61 4.81 -1.26 -5.02 118.16 118.34 1frm n LYS 84 Ca -0.17 0.06 -0.08 0.00 -0.87 0.00 0.00 58.31 57.24 1frm n LYS 84 Cb 0.52 -2.06 -0.02 0.00 0.02 0.00 0.00 35.03 33.49 1frm n LYS 84 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1frm n LYS 85 N -2.10 0.36 -2.10 1.64 2.85 -1.26 -5.11 118.16 112.44 1frm n LYS 85 Ca 0.10 -1.53 -0.33 0.00 -1.05 0.00 0.00 58.31 55.50 1frm n LYS 85 Cb 0.51 1.45 0.01 0.00 -0.65 0.00 0.00 35.03 36.35 1frm n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1frm s ASP 86 N -2.17 5.80 0.74 -5.58 1.01 -1.26 -4.69 116.67 110.52 1frm s ASP 86 Ca 0.16 1.87 -0.14 0.00 0.71 0.00 0.00 52.55 55.15 1frm s ASP 86 Cb -0.00 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.43 1frm s ASP 86 CO 0.12 -1.16 1.16 -2.84 0.21 0.00 0.00 175.17 172.66 1frm s PRO 87 N -3.91 2.15 0.93 8.23 0.02 -1.26 -4.89 135.00 136.27 1frm s PRO 87 Ca 0.65 1.58 -0.12 0.00 0.02 0.00 0.00 61.00 63.13 1frm s PRO 87 Cb -0.17 -1.85 0.07 0.00 0.02 0.00 0.00 34.50 32.57 1frm s PRO 87 CO 0.34 -1.79 0.67 1.28 -0.33 0.00 0.00 177.00 177.17 1frm n LEU 88 N -2.94 1.08 0.08 -5.54 4.77 -0.96 -4.87 117.00 108.62 1frm n LEU 88 Ca 0.12 0.38 -0.09 0.00 -0.03 0.00 0.00 56.01 56.38 1frm n LEU 88 Cb 0.51 -1.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.27 1frm n LEU 88 CO 0.48 -3.09 0.21 -0.65 -1.33 0.00 0.00 177.39 173.01 1frm h PRO 89 N -1.60 0.19 -0.58 3.23 0.11 -1.90 -2.48 132.00 128.98 1frm h PRO 89 Ca -0.43 -0.22 -0.22 0.00 0.11 0.00 0.00 66.00 65.23 1frm h PRO 89 Cb 1.28 0.07 -0.13 0.00 0.11 0.00 0.00 31.00 32.33 1frm h PRO 89 CO 0.37 0.98 0.18 -0.25 -0.21 0.00 0.00 178.00 179.08 1frm n ASP 90 N -3.62 3.70 -0.21 -2.05 9.92 -1.26 -4.77 116.55 118.26 1frm n ASP 90 Ca -0.04 -3.44 0.18 0.00 -0.53 0.00 0.00 54.79 50.97 1frm n ASP 90 Cb 0.84 -0.69 0.52 0.00 -0.64 0.00 0.00 41.12 41.15 1frm n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1frm h ALA 91 N 1.65 2.22 -0.00 2.24 0.00 -1.61 -2.08 119.26 121.67 1frm h ALA 91 Ca 0.27 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1frm h ALA 91 Cb 2.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1frm h ALA 91 CO 0.60 -0.47 -0.40 -0.85 0.00 0.00 0.00 179.25 178.12 1frm n GLU 92 N -4.48 0.46 -0.19 0.00 -0.00 -1.26 -2.00 120.64 113.17 1frm n GLU 92 Ca 0.18 -0.28 -0.07 0.00 -0.00 0.00 0.00 57.16 56.99 1frm n GLU 92 Cb 0.66 -1.49 0.09 0.00 -0.00 0.00 0.00 31.44 30.69 1frm n GLU 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1frm h ASP 93 N 0.69 0.95 0.64 -1.84 3.32 -1.76 -3.11 116.42 115.30 1frm h ASP 93 Ca 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1frm h ASP 93 Cb 0.51 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1frm h ASP 93 CO 0.00 0.97 -0.53 0.79 -1.72 0.00 0.00 179.24 178.75 1frm n TRP 94 N -4.21 0.19 -2.08 4.55 7.02 -1.16 -4.76 117.44 116.99 1frm n TRP 94 Ca 0.04 0.05 -0.43 0.00 -1.02 0.00 0.00 57.50 56.14 1frm n TRP 94 Cb 0.30 -0.40 -0.03 0.00 -2.42 0.00 0.00 31.31 28.77 1frm n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1frm s ASP 95 N -3.42 6.01 0.00 -0.99 -1.08 -0.85 -1.82 116.67 114.52 1frm s ASP 95 Ca 0.09 1.21 0.00 0.00 -0.52 0.00 0.00 52.55 53.34 1frm s ASP 95 Cb 0.16 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1frm s ASP 95 CO 0.70 -1.63 0.00 0.61 0.52 0.00 0.00 175.17 175.37 1frm n GLY 96 N 5.33 0.52 3.76 2.66 0.00 -1.26 -5.02 105.19 111.17 1frm n GLY 96 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1frm n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1frm s VAL 97 N -2.00 3.24 0.36 1.61 1.01 -0.76 -5.03 120.40 118.83 1frm s VAL 97 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1frm s VAL 97 Cb 0.00 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1frm s VAL 97 CO 0.00 0.26 0.57 -1.59 0.00 0.00 0.00 175.10 174.34 1frm s LYS 98 N -1.23 3.43 -0.35 2.72 -2.85 -1.26 -4.54 119.74 115.66 1frm s LYS 98 Ca 0.48 -0.34 -0.00 0.00 -1.00 0.00 0.00 55.97 55.11 1frm s LYS 98 Cb -0.35 -2.64 0.00 0.00 -2.06 0.00 0.00 37.83 32.78 1frm s LYS 98 CO 0.44 0.09 0.01 0.41 0.10 0.00 0.00 175.35 176.39 1frm n GLY 99 N -1.83 0.22 0.00 0.59 0.00 -1.26 -4.94 105.19 97.96 1frm n GLY 99 Ca -0.04 -0.71 0.14 0.00 0.00 0.00 0.00 46.02 45.41 1frm n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1frm n LYS 100 N -1.40 0.39 0.03 1.61 5.02 -1.26 -3.75 118.16 118.80 1frm n LYS 100 Ca -0.05 0.02 0.03 0.00 -2.02 0.00 0.00 58.31 56.29 1frm n LYS 100 Cb 0.54 -1.50 0.41 0.00 -0.02 0.00 0.00 35.03 34.46 1frm n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1frm h LEU 101 N 0.00 0.42 -1.26 -0.35 5.85 -1.92 0.47 115.31 118.52 1frm h LEU 101 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1frm h LEU 101 Cb 0.27 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1frm h LEU 101 CO 0.00 0.37 0.00 0.06 -0.34 0.00 0.00 178.44 178.53 1frm h GLN 102 N 0.47 0.00 -0.08 1.25 3.07 -1.99 -0.09 115.11 117.74 1frm h GLN 102 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.86 1frm h GLN 102 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.63 1frm h GLN 102 CO -0.02 0.00 0.00 0.72 0.09 0.00 0.00 178.83 179.62 1frm n HIS 103 N -2.38 0.09 -1.97 0.06 8.25 0.15 -5.00 115.22 114.42 1frm n HIS 103 Ca 0.00 -0.04 -0.41 0.00 -0.26 0.00 0.00 57.72 57.01 1frm n HIS 103 Cb 0.14 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 1frm n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1frm s LEU 104 N -1.87 4.38 -0.10 2.41 2.96 -0.05 -4.94 118.68 121.48 1frm s LEU 104 Ca 0.35 2.76 0.00 0.00 -0.22 0.00 0.00 54.13 57.02 1frm s LEU 104 Cb 0.20 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.23 1frm s LEU 104 CO 0.31 -0.72 -0.09 -1.61 -1.32 0.00 0.00 176.35 172.91 1frm s GLU 105 N -0.88 3.08 0.00 1.98 2.02 -1.26 -5.11 118.70 118.53 1frm s GLU 105 Ca 0.57 -0.61 0.30 0.00 0.02 0.00 0.00 54.97 55.25 1frm s GLU 105 Cb -0.43 -2.63 1.81 0.00 0.10 0.00 0.00 34.13 32.98 1frm s GLU 105 CO 0.48 0.44 2.14 -2.13 0.02 0.00 0.00 175.26 176.21