#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d85 s SER 2 N 0.00 2.06 -0.20 1.61 0.01 -1.26 -5.12 113.70 110.79 2d85 s SER 2 Ca 0.00 -0.32 -0.00 0.00 1.31 0.00 0.00 55.95 56.93 2d85 s SER 2 Cb 0.00 -0.32 0.05 0.00 0.21 0.00 0.00 66.02 65.96 2d85 s SER 2 CO 0.00 0.20 -0.04 -0.44 0.41 0.00 0.00 173.24 173.37 2d85 s SER 3 N -0.29 3.33 0.00 2.44 0.01 -1.26 -4.83 113.70 113.10 2d85 s SER 3 Ca 0.04 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.36 2d85 s SER 3 Cb -0.08 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.16 2d85 s SER 3 CO 0.00 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2d85 n GLY 4 N 4.81 0.75 3.06 3.44 0.00 -1.26 -5.06 105.19 110.93 2d85 n GLY 4 Ca -0.12 -0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 2d85 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d85 n SER 5 N 0.00 -1.02 0.01 1.61 7.64 -1.26 -4.91 113.62 115.70 2d85 n SER 5 Ca 0.00 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.90 2d85 n SER 5 Cb 0.00 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 2d85 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2d85 n SER 6 N 1.75 0.28 0.00 6.43 7.64 -1.26 -5.09 113.62 123.37 2d85 n SER 6 Ca 0.16 0.04 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2d85 n SER 6 Cb 0.21 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2d85 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d85 n GLY 7 N 3.09 0.73 3.53 0.23 0.00 -1.26 -5.14 105.19 106.37 2d85 n GLY 7 Ca 0.00 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 2d85 n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2d85 s ASN 8 N -0.18 4.56 0.06 1.61 0.01 -1.26 -4.98 114.94 114.76 2d85 s ASN 8 Ca 0.00 -0.10 0.04 0.00 -0.71 0.00 0.00 52.86 52.09 2d85 s ASN 8 Cb 0.00 -1.35 0.20 0.00 0.41 0.00 0.00 41.25 40.51 2d85 s ASN 8 CO 0.00 0.29 1.11 0.47 -1.51 0.00 0.00 177.10 177.46 2d85 n ASP 9 N 2.70 0.10 0.03 -1.22 9.92 -1.26 -0.90 116.55 125.91 2d85 n ASP 9 Ca -0.18 0.54 0.10 0.00 -0.53 0.00 0.00 54.79 54.72 2d85 n ASP 9 Cb 0.53 -0.56 0.42 0.00 -0.64 0.00 0.00 41.12 40.87 2d85 n ASP 9 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2d85 n ASP 10 N -1.63 0.15 0.08 -2.24 9.92 -1.26 -2.51 116.55 119.06 2d85 n ASP 10 Ca -0.00 0.53 0.12 0.00 -0.53 0.00 0.00 54.79 54.90 2d85 n ASP 10 Cb 0.01 -0.56 0.45 0.00 -0.64 0.00 0.00 41.12 40.38 2d85 n ASP 10 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2d85 n ILE 11 N -1.66 0.65 -0.12 0.53 3.06 -0.07 -3.24 119.36 118.50 2d85 n ILE 11 Ca 0.04 0.03 0.10 0.00 -2.50 0.00 0.00 62.75 60.42 2d85 n ILE 11 Cb 0.24 -0.84 0.44 0.00 0.54 0.00 0.00 39.64 40.01 2d85 n ILE 11 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 2d85 h ILE 12 N 0.00 0.95 0.06 9.51 2.04 -1.71 0.14 117.51 128.49 2d85 h ILE 12 Ca 0.00 -0.19 -0.27 0.00 1.00 0.00 0.00 64.86 65.40 2d85 h ILE 12 Cb 0.49 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2d85 h ILE 12 CO 0.00 0.10 -1.43 0.58 0.00 0.00 0.00 178.15 177.40 2d85 h VAL 13 N 0.56 0.90 0.06 1.67 2.07 -1.81 -3.28 116.25 116.42 2d85 h VAL 13 Ca 0.29 -2.27 0.02 0.00 0.82 0.00 0.00 66.70 65.56 2d85 h VAL 13 Cb 0.42 2.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.60 2d85 h VAL 13 CO -0.09 0.55 -0.20 -1.13 0.02 0.00 0.00 177.57 176.72 2d85 h ASN 14 N -0.59 -0.56 0.08 0.57 -0.00 -1.58 -2.14 115.58 111.36 2d85 h ASN 14 Ca -0.35 0.07 0.02 0.00 -0.00 0.00 0.00 56.30 56.05 2d85 h ASN 14 Cb 1.57 0.22 -0.05 0.00 -0.00 0.00 0.00 38.32 40.07 2d85 h ASN 14 CO -0.07 -0.27 -0.35 -0.25 -0.00 0.00 0.00 177.43 176.48 2d85 h TRP 15 N -0.35 -0.97 -0.88 0.67 7.01 -0.92 -1.69 115.95 118.81 2d85 h TRP 15 Ca 0.04 0.03 0.23 0.00 2.11 0.00 0.00 58.89 61.30 2d85 h TRP 15 Cb 0.40 0.42 -0.13 0.00 -2.10 0.00 0.00 29.16 27.74 2d85 h TRP 15 CO -0.21 -0.45 0.30 0.28 -2.79 0.00 0.00 178.44 175.56 2d85 h VAL 16 N -0.56 0.38 0.99 2.65 2.07 -1.58 0.21 116.25 120.41 2d85 h VAL 16 Ca 0.04 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 2d85 h VAL 16 Cb 0.61 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2d85 h VAL 16 CO -0.23 0.05 -0.47 0.78 0.02 0.00 0.00 177.57 177.71 2d85 h ASN 17 N 0.28 -1.12 0.43 0.57 2.35 -0.66 -2.57 115.58 114.87 2d85 h ASN 17 Ca 0.56 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 56.33 2d85 h ASN 17 Cb 1.10 0.29 -0.02 0.00 0.05 0.00 0.00 38.32 39.74 2d85 h ASN 17 CO -0.60 -0.79 -0.48 -0.33 -1.65 0.00 0.00 177.43 173.58 2d85 h GLU 18 N -1.35 -0.89 -0.93 0.81 4.39 -0.50 0.11 114.58 116.22 2d85 h GLU 18 Ca -0.14 0.06 0.34 0.00 0.34 0.00 0.00 59.36 59.96 2d85 h GLU 18 Cb 1.01 0.20 -0.17 0.00 -0.10 0.00 0.00 28.75 29.70 2d85 h GLU 18 CO 0.22 -0.59 0.32 2.41 -1.16 0.00 0.00 179.01 180.21 2d85 n THR 19 N -5.32 -0.39 0.02 1.13 -1.04 0.63 0.12 114.28 109.43 2d85 n THR 19 Ca -0.11 1.94 -0.19 0.00 -2.04 0.00 0.00 64.05 63.65 2d85 n THR 19 Cb 0.43 -3.03 -0.11 0.00 -1.82 0.00 0.00 70.33 65.81 2d85 n THR 19 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2d85 h LEU 20 N 0.00 0.74 -0.09 -4.42 3.38 -0.96 -3.08 115.31 110.88 2d85 h LEU 20 Ca 0.70 -0.74 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2d85 h LEU 20 Cb 1.73 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 2d85 h LEU 20 CO -0.77 1.38 -0.05 -0.09 0.09 0.00 0.00 178.44 179.00 2d85 h ARG 21 N 0.17 -0.04 -0.58 1.13 1.12 0.35 0.28 114.38 116.80 2d85 h ARG 21 Ca -0.10 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 58.83 2d85 h ARG 21 Cb 1.50 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 31.43 2d85 h ARG 21 CO 0.16 -0.03 0.38 0.93 -3.11 0.00 0.00 179.97 178.31 2d85 h GLU 22 N -0.04 0.53 -0.00 0.20 4.39 -0.75 0.12 114.58 119.03 2d85 h GLU 22 Ca 0.05 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2d85 h GLU 22 Cb 0.12 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2d85 h GLU 22 CO -0.12 0.35 -0.23 0.00 -1.16 0.00 0.00 179.01 177.85 2d85 n ALA 23 N -2.49 2.96 -2.85 3.43 0.00 -0.72 -4.95 120.51 115.89 2d85 n ALA 23 Ca 0.08 -0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 2d85 n ALA 23 Cb 0.24 -1.27 0.05 0.00 0.00 0.00 0.00 19.45 18.47 2d85 n ALA 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2d85 n GLU 24 N -1.24 -3.89 -3.68 0.00 1.02 0.72 -5.03 120.64 108.54 2d85 n GLU 24 Ca 0.09 0.49 -0.34 0.00 -0.02 0.00 0.00 57.16 57.38 2d85 n GLU 24 Cb 0.32 -4.44 -0.05 0.00 -0.02 0.00 0.00 31.44 27.25 2d85 n GLU 24 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2d85 s LYS 25 N -4.88 3.65 -0.08 3.49 3.01 0.28 -4.98 119.74 120.22 2d85 s LYS 25 Ca 0.03 -0.01 0.10 0.00 -1.01 0.00 0.00 55.97 55.09 2d85 s LYS 25 Cb -0.02 -3.00 0.43 0.00 -1.01 0.00 0.00 37.83 34.24 2d85 s LYS 25 CO 0.42 0.57 1.25 0.45 0.51 0.00 0.00 175.35 178.56 2d85 n SER 26 N 0.77 3.08 -4.61 2.83 2.88 -1.26 -4.69 113.62 112.63 2d85 n SER 26 Ca -0.08 -2.30 -0.26 0.00 -1.33 0.00 0.00 58.87 54.90 2d85 n SER 26 Cb 0.52 -0.47 -0.09 0.00 -0.75 0.00 0.00 64.21 63.43 2d85 n SER 26 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d85 s SER 27 N -0.68 4.45 -0.04 -3.46 1.04 -1.26 -5.07 113.70 108.67 2d85 s SER 27 Ca 0.30 -0.53 -0.31 0.00 0.48 0.00 0.00 55.95 55.89 2d85 s SER 27 Cb 0.20 -0.83 0.12 0.00 0.10 0.00 0.00 66.02 65.61 2d85 s SER 27 CO 0.13 0.09 1.24 -0.55 0.98 0.00 0.00 173.24 175.14 2d85 s SER 28 N -2.95 -0.09 0.07 7.02 0.15 -1.26 -4.87 113.70 111.77 2d85 s SER 28 Ca 0.26 -0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.84 2d85 s SER 28 Cb -0.09 0.18 -0.03 0.00 -1.71 0.00 0.00 66.02 64.38 2d85 s SER 28 CO 0.17 -0.33 -0.13 0.27 1.20 0.00 0.00 173.24 174.41 2d85 s ILE 29 N -2.49 1.04 -0.24 6.45 -4.36 -1.26 -4.68 121.20 115.66 2d85 s ILE 29 Ca 0.13 -1.26 0.08 0.00 -0.26 0.00 0.00 60.65 59.34 2d85 s ILE 29 Cb 0.03 -1.01 -0.20 0.00 1.25 0.00 0.00 42.46 42.54 2d85 s ILE 29 CO -0.04 -0.23 -0.12 -1.20 0.24 0.00 0.00 174.94 173.59 2d85 n SER 30 N 1.33 1.25 -3.72 4.36 7.64 -1.26 -4.89 113.62 118.34 2d85 n SER 30 Ca -0.21 -0.09 -0.05 0.00 1.01 0.00 0.00 58.87 59.53 2d85 n SER 30 Cb 0.54 0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.85 2d85 n SER 30 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d85 s SER 31 N -6.12 -0.24 0.55 6.43 0.15 -1.26 -5.01 113.70 108.20 2d85 s SER 31 Ca -0.25 -0.36 0.40 0.00 0.70 0.00 0.00 55.95 56.44 2d85 s SER 31 Cb 0.08 0.52 1.59 0.00 -1.71 0.00 0.00 66.02 66.51 2d85 s SER 31 CO 0.68 -0.95 1.73 -0.26 1.20 0.00 0.00 173.24 175.64 2d85 h PHE 32 N 2.00 0.00 -1.63 3.44 0.04 -2.00 0.38 116.94 119.17 2d85 h PHE 32 Ca -0.23 0.00 -0.71 0.00 2.80 0.00 0.00 57.97 59.82 2d85 h PHE 32 Cb 1.24 0.00 -0.31 0.00 2.20 0.00 0.00 35.95 39.09 2d85 h PHE 32 CO 0.36 0.00 0.66 1.63 -0.60 0.00 0.00 178.31 180.37 2d85 n LYS 33 N -4.07 2.88 -2.90 1.51 5.02 -1.26 -4.77 118.16 114.57 2d85 n LYS 33 Ca 0.31 -3.64 -0.39 0.00 -2.02 0.00 0.00 58.31 52.56 2d85 n LYS 33 Cb 1.47 -2.27 -0.06 0.00 -0.02 0.00 0.00 35.03 34.15 2d85 n LYS 33 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2d85 s ASP 34 N -1.75 7.45 0.06 4.39 -1.08 0.13 -4.99 116.67 120.90 2d85 s ASP 34 Ca 0.54 1.74 -0.18 0.00 -0.52 0.00 0.00 52.55 54.14 2d85 s ASP 34 Cb 0.45 -2.54 -0.12 0.00 -1.46 0.00 0.00 42.92 39.25 2d85 s ASP 34 CO -0.27 0.17 1.37 1.55 0.52 0.00 0.00 175.17 178.52 2d85 h PRO 35 N 4.15 0.50 -1.10 4.34 0.13 -1.95 -3.14 132.00 134.94 2d85 h PRO 35 Ca -0.46 -0.26 0.30 0.00 -0.87 0.00 0.00 66.00 64.70 2d85 h PRO 35 Cb 1.20 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 2d85 h PRO 35 CO 0.67 0.84 0.71 0.87 -0.23 0.00 0.00 178.00 180.86 2d85 h LYS 36 N 0.17 0.30 -0.90 0.86 1.79 -1.94 0.43 116.57 117.29 2d85 h LYS 36 Ca 0.03 -0.02 0.23 0.00 -2.18 0.00 0.00 60.65 58.72 2d85 h LYS 36 Cb 0.75 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.28 2d85 h LYS 36 CO 0.05 0.20 0.62 0.82 -1.08 0.00 0.00 179.45 180.06 2d85 h ILE 37 N 0.31 0.61 -0.86 1.86 2.04 -1.85 -0.39 117.51 119.23 2d85 h ILE 37 Ca 0.63 -0.07 0.19 0.00 1.00 0.00 0.00 64.86 66.62 2d85 h ILE 37 Cb 1.74 0.39 -0.12 0.00 -0.74 0.00 0.00 36.82 38.10 2d85 h ILE 37 CO -0.31 0.04 0.36 -1.28 0.00 0.00 0.00 178.15 176.96 2d85 h SER 38 N 0.20 0.30 0.76 1.72 0.87 -0.30 0.81 113.55 117.91 2d85 h SER 38 Ca 0.45 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 61.15 2d85 h SER 38 Cb 1.45 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 2d85 h SER 38 CO -0.10 0.03 -0.11 0.35 -0.53 0.00 0.00 176.83 176.47 2d85 n THR 39 N -5.03 0.00 -2.00 2.23 -2.24 -0.17 -4.68 114.28 102.39 2d85 n THR 39 Ca 0.20 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.84 2d85 n THR 39 Cb 0.57 -0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 2d85 n THR 39 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2d85 n SER 40 N -1.40 -4.17 0.08 3.42 7.64 0.28 -4.89 113.62 114.59 2d85 n SER 40 Ca 0.09 0.08 -0.13 0.00 1.01 0.00 0.00 58.87 59.92 2d85 n SER 40 Cb 0.32 -3.21 -0.08 0.00 -1.01 0.00 0.00 64.21 60.23 2d85 n SER 40 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2d85 h LEU 41 N 0.00 -0.20 -1.39 -3.43 3.38 -1.78 0.08 115.31 111.98 2d85 h LEU 41 Ca -0.29 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.36 2d85 h LEU 41 Cb 1.12 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2d85 h LEU 41 CO 0.37 0.20 -0.15 1.55 0.09 0.00 0.00 178.44 180.50 2d85 h PRO 42 N -0.65 0.00 0.10 1.13 0.13 -1.83 0.04 132.00 130.92 2d85 h PRO 42 Ca -0.02 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.81 2d85 h PRO 42 Cb 0.47 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 2d85 h PRO 42 CO 0.04 0.15 -1.49 0.28 -0.23 0.00 0.00 178.00 176.75 2d85 h VAL 43 N 0.00 1.19 0.00 1.56 2.07 -1.90 -2.86 116.25 116.30 2d85 h VAL 43 Ca -0.00 -2.85 -0.02 0.00 0.82 0.00 0.00 66.70 64.66 2d85 h VAL 43 Cb 0.60 2.75 -0.00 0.00 -1.52 0.00 0.00 31.29 33.12 2d85 h VAL 43 CO 0.02 0.81 -0.10 -0.07 0.02 0.00 0.00 177.57 178.25 2d85 h LEU 44 N 0.06 0.00 -0.60 2.57 3.38 -0.84 -3.29 115.31 116.58 2d85 h LEU 44 Ca -0.22 -0.73 0.01 0.00 0.09 0.00 0.00 57.88 57.03 2d85 h LEU 44 Cb 2.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.72 2d85 h LEU 44 CO 0.16 0.92 0.40 0.44 0.09 0.00 0.00 178.44 180.44 2d85 h ASP 45 N -1.00 0.69 -1.01 -0.43 5.19 -1.17 -2.23 116.42 116.46 2d85 h ASP 45 Ca -0.02 -0.02 0.23 0.00 -0.62 0.00 0.00 57.03 56.60 2d85 h ASP 45 Cb 0.79 -0.17 -0.11 0.00 0.18 0.00 0.00 39.33 40.02 2d85 h ASP 45 CO -0.01 0.50 0.61 0.25 -3.12 0.00 0.00 179.24 177.47 2d85 h LEU 46 N 0.81 0.68 -0.06 1.55 5.85 -1.65 0.06 115.31 122.55 2d85 h LEU 46 Ca 0.22 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 2d85 h LEU 46 Cb -0.09 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 2d85 h LEU 46 CO -0.05 0.16 -0.06 0.40 -0.34 0.00 0.00 178.44 178.56 2d85 h ILE 47 N 0.62 1.36 -0.05 4.05 2.04 -1.48 -3.28 117.51 120.77 2d85 h ILE 47 Ca 0.61 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 65.32 2d85 h ILE 47 Cb 1.15 2.01 -0.04 0.00 -0.74 0.00 0.00 36.82 39.20 2d85 h ILE 47 CO -0.41 0.33 -0.18 -0.78 0.00 0.00 0.00 178.15 177.10 2d85 h ASP 48 N -0.28 -0.54 -0.91 1.72 3.58 -0.82 -1.22 116.42 117.96 2d85 h ASP 48 Ca 0.01 0.08 0.28 0.00 0.42 0.00 0.00 57.03 57.82 2d85 h ASP 48 Cb 0.55 0.24 -0.17 0.00 1.72 0.00 0.00 39.33 41.67 2d85 h ASP 48 CO 0.01 -0.24 0.11 0.00 -2.88 0.00 0.00 179.24 176.25 2d85 n ALA 49 N -2.57 0.56 0.04 -0.78 0.00 -0.14 -1.62 120.51 116.00 2d85 n ALA 49 Ca -0.04 0.97 -0.03 0.00 0.00 0.00 0.00 53.44 54.34 2d85 n ALA 49 Cb 0.23 -0.75 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 2d85 n ALA 49 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2d85 h ILE 50 N 0.00 0.00 -3.57 0.00 2.04 -1.47 -3.42 117.51 111.10 2d85 h ILE 50 Ca 0.60 -0.58 -0.72 0.00 1.00 0.00 0.00 64.86 65.15 2d85 h ILE 50 Cb 1.32 0.00 -0.32 0.00 -0.74 0.00 0.00 36.82 37.08 2d85 h ILE 50 CO -0.82 0.00 -0.27 -1.58 0.00 0.00 0.00 178.15 175.48 2d85 s GLN 51 N -2.03 2.77 0.23 2.37 0.74 -0.52 -5.07 119.66 118.15 2d85 s GLN 51 Ca -0.02 -2.35 -0.30 0.00 0.05 0.00 0.00 55.36 52.74 2d85 s GLN 51 Cb 0.00 -3.93 -0.09 0.00 1.10 0.00 0.00 33.01 30.10 2d85 s GLN 51 CO 0.07 -1.20 1.28 -1.25 -0.55 0.00 0.00 175.29 173.64 2d85 s PRO 52 N 0.29 4.42 0.00 1.67 0.04 -0.78 -3.52 135.00 137.12 2d85 s PRO 52 Ca 0.15 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2d85 s PRO 52 Cb -0.19 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2d85 s PRO 52 CO -0.04 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.22 2d85 n GLY 53 N 1.96 0.95 0.32 0.56 0.00 -1.26 -4.96 105.19 102.76 2d85 n GLY 53 Ca 0.04 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 2d85 n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2d85 h SER 54 N 1.63 -0.65 -3.93 1.61 4.64 -1.94 -3.44 113.55 111.48 2d85 h SER 54 Ca 0.00 -0.03 -0.46 0.00 -0.47 0.00 0.00 61.79 60.82 2d85 h SER 54 Cb 0.00 0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 2d85 h SER 54 CO 0.00 -0.27 0.35 -0.63 -0.87 0.00 0.00 176.83 175.41 2d85 s ILE 55 N -4.58 4.18 -0.23 0.95 -1.09 -1.26 -5.05 121.20 114.11 2d85 s ILE 55 Ca -0.14 1.69 -0.04 0.00 -2.23 0.00 0.00 60.65 59.93 2d85 s ILE 55 Cb 0.02 -3.88 0.08 0.00 -1.58 0.00 0.00 42.46 37.10 2d85 s ILE 55 CO 0.45 0.03 0.10 0.21 -1.23 0.00 0.00 174.94 174.49 2d85 s ASN 56 N -1.73 3.04 0.42 3.58 2.47 -1.26 -5.00 114.94 116.46 2d85 s ASN 56 Ca 0.54 -1.00 0.11 0.00 0.42 0.00 0.00 52.86 52.93 2d85 s ASN 56 Cb -0.17 -0.39 0.95 0.00 -1.45 0.00 0.00 41.25 40.18 2d85 s ASN 56 CO 0.22 -0.38 2.00 1.88 -3.72 0.00 0.00 177.10 177.10 2d85 h TYR 57 N 8.36 0.50 -0.98 0.43 0.05 -1.97 -1.22 116.97 122.15 2d85 h TYR 57 Ca -0.17 0.01 0.22 0.00 0.05 0.00 0.00 58.73 58.84 2d85 h TYR 57 Cb 1.08 -0.16 -0.09 0.00 1.01 0.00 0.00 36.73 38.57 2d85 h TYR 57 CO 0.24 0.26 0.62 0.22 -1.05 0.00 0.00 178.16 178.46 2d85 h ASP 58 N 0.49 0.54 0.35 3.88 3.58 -2.01 -1.10 116.42 122.16 2d85 h ASP 58 Ca 0.25 0.07 -0.32 0.00 0.42 0.00 0.00 57.03 57.44 2d85 h ASP 58 Cb 0.33 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 2d85 h ASP 58 CO -0.07 0.18 -1.74 -0.07 -2.88 0.00 0.00 179.24 174.66 2d85 h LEU 59 N 0.52 0.29-10.08 2.28 3.38 -1.69 -3.47 115.31 106.55 2d85 h LEU 59 Ca 0.54 -0.54 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 2d85 h LEU 59 Cb 1.18 -0.09 0.22 0.00 0.09 0.00 0.00 40.66 42.05 2d85 h LEU 59 CO -0.28 1.47 -0.13 0.18 0.09 0.00 0.00 178.44 179.77 2d85 n LEU 60 N -3.35 -0.61 -0.07 1.67 4.77 -0.42 -5.01 117.00 113.99 2d85 n LEU 60 Ca -0.22 -0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.61 2d85 n LEU 60 Cb 1.05 -1.26 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 2d85 n LEU 60 CO 0.46 -3.08 -0.75 0.29 -1.33 0.00 0.00 177.39 172.99 2d85 n LYS 61 N -4.32 0.38 -2.13 3.23 4.01 -1.26 -4.95 118.16 113.12 2d85 n LYS 61 Ca 0.05 0.16 0.00 0.00 -0.51 0.00 0.00 58.31 58.00 2d85 n LYS 61 Cb 0.55 -1.16 0.00 0.00 -0.51 0.00 0.00 35.03 33.90 2d85 n LYS 61 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 2d85 n THR 62 N -4.05 0.00 -3.82 -0.18 5.66 -1.26 -4.84 114.28 105.79 2d85 n THR 62 Ca -0.21 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.50 2d85 n THR 62 Cb 0.52 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.14 2d85 n THR 62 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2d85 s GLU 63 N -4.23 1.07 -1.76 1.09 4.04 -1.26 -4.83 118.70 112.82 2d85 s GLU 63 Ca 0.00 -0.66 -0.22 0.00 0.04 0.00 0.00 54.97 54.13 2d85 s GLU 63 Cb 0.00 -2.31 0.22 0.00 0.02 0.00 0.00 34.13 32.06 2d85 s GLU 63 CO 0.00 -0.62 0.56 0.27 -1.84 0.00 0.00 175.26 173.63 2d85 n ASN 64 N 4.89 -1.82 -4.09 0.83 0.23 -1.26 -4.81 115.26 109.24 2d85 n ASN 64 Ca -0.10 -1.12 -0.36 0.00 -0.53 0.00 0.00 54.58 52.47 2d85 n ASN 64 Cb 0.46 -1.60 0.06 0.00 -2.08 0.00 0.00 39.78 36.62 2d85 n ASN 64 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2d85 n LEU 65 N -3.96 -4.66 -3.97 -4.53 4.77 -1.26 -5.01 117.00 98.37 2d85 n LEU 65 Ca 0.11 0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 56.19 2d85 n LEU 65 Cb 0.45 -0.83 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 2d85 n LEU 65 CO 0.90 -5.31 -0.16 0.54 -1.33 0.00 0.00 177.39 172.04 2d85 s ASN 66 N -1.21 0.20 0.45 -1.43 4.22 -1.26 -4.88 114.94 111.02 2d85 s ASN 66 Ca 0.43 -0.86 0.40 0.00 -2.14 0.00 0.00 52.86 50.70 2d85 s ASN 66 Cb -0.17 0.33 1.40 0.00 1.28 0.00 0.00 41.25 44.10 2d85 s ASN 66 CO 0.79 -0.74 1.27 0.47 -2.04 0.00 0.00 177.10 176.85 2d85 n ASP 67 N -0.07 0.01 -0.01 3.54 8.00 -1.26 0.45 116.55 127.22 2d85 n ASP 67 Ca -0.12 0.84 -0.01 0.00 0.71 0.00 0.00 54.79 56.21 2d85 n ASP 67 Cb 0.62 -0.42 -0.00 0.00 -0.02 0.00 0.00 41.12 41.30 2d85 n ASP 67 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2d85 h ASP 68 N 0.00 -0.04 0.22 -2.24 1.82 -2.01 -3.28 116.42 110.89 2d85 h ASP 68 Ca 0.77 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.41 2d85 h ASP 68 Cb 3.04 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 43.05 2d85 h ASP 68 CO -0.04 0.23 -0.19 -0.33 -1.61 0.00 0.00 179.24 177.31 2d85 h GLU 69 N -0.56 -0.40 -0.92 0.28 4.39 -1.06 -2.85 114.58 113.45 2d85 h GLU 69 Ca -0.00 0.03 0.15 0.00 0.34 0.00 0.00 59.36 59.88 2d85 h GLU 69 Cb 0.04 0.09 -0.16 0.00 -0.10 0.00 0.00 28.75 28.62 2d85 h GLU 69 CO 0.01 -0.27 -0.32 1.63 -1.16 0.00 0.00 179.01 178.90 2d85 n LYS 70 N -5.31 -0.17 0.01 2.33 5.02 0.17 -0.67 118.16 119.54 2d85 n LYS 70 Ca -0.08 1.42 -0.13 0.00 -2.02 0.00 0.00 58.31 57.49 2d85 n LYS 70 Cb 0.22 -2.11 -0.09 0.00 -0.02 0.00 0.00 35.03 33.04 2d85 n LYS 70 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2d85 h LEU 71 N 0.00 -1.46 -0.99 -0.35 5.85 -1.56 0.42 115.31 117.23 2d85 h LEU 71 Ca 0.36 0.17 0.30 0.00 0.84 0.00 0.00 57.88 59.55 2d85 h LEU 71 Cb 0.59 0.56 -0.15 0.00 0.37 0.00 0.00 40.66 42.04 2d85 h LEU 71 CO -0.92 -0.42 0.53 0.78 -0.34 0.00 0.00 178.44 178.06 2d85 h ASN 72 N -0.52 0.47 -0.54 1.25 2.35 -0.88 0.60 115.58 118.30 2d85 h ASN 72 Ca 0.02 0.19 -0.11 0.00 -0.55 0.00 0.00 56.30 55.85 2d85 h ASN 72 Cb 0.59 0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 2d85 h ASN 72 CO -0.35 -0.12 -0.10 0.78 -1.65 0.00 0.00 177.43 175.99 2d85 h ASN 73 N 0.33 1.03 -0.15 5.81 4.21 -0.33 -2.51 115.58 123.99 2d85 h ASN 73 Ca 0.71 -0.34 -0.01 0.00 1.21 0.00 0.00 56.30 57.87 2d85 h ASN 73 Cb 1.57 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 38.48 2d85 h ASN 73 CO -0.60 1.14 0.07 0.00 -1.29 0.00 0.00 177.43 176.75 2d85 h ALA 74 N 0.95 0.19 -0.83 -0.83 0.00 0.22 -1.70 119.26 117.26 2d85 h ALA 74 Ca 0.14 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2d85 h ALA 74 Cb 0.67 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2d85 h ALA 74 CO 0.05 -0.25 0.53 0.87 0.00 0.00 0.00 179.25 180.44 2d85 h LYS 75 N 0.11 0.97 -0.15 0.00 1.57 -1.14 -2.20 116.57 115.73 2d85 h LYS 75 Ca 0.05 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2d85 h LYS 75 Cb 0.12 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2d85 h LYS 75 CO -0.01 0.64 0.08 -0.92 -0.57 0.00 0.00 179.45 178.67 2d85 h TYR 76 N 1.00 0.21 -0.13 -1.35 3.20 -1.23 -0.93 116.97 117.74 2d85 h TYR 76 Ca 0.34 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.25 2d85 h TYR 76 Cb 0.06 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.21 2d85 h TYR 76 CO -0.03 0.24 -0.22 0.00 -1.64 0.00 0.00 178.16 176.51 2d85 h ALA 77 N 0.95 -0.18 -0.34 1.82 0.00 -0.91 -0.44 119.26 120.16 2d85 h ALA 77 Ca 0.05 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2d85 h ALA 77 Cb 0.10 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2d85 h ALA 77 CO -0.01 -0.68 0.21 0.82 0.00 0.00 0.00 179.25 179.59 2d85 h ILE 78 N -0.28 1.05 -0.36 0.00 2.04 -1.32 -2.09 117.51 116.55 2d85 h ILE 78 Ca 0.10 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.88 2d85 h ILE 78 Cb 0.43 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 2d85 h ILE 78 CO -0.30 0.08 -0.04 0.28 0.00 0.00 0.00 178.15 178.17 2d85 h SER 79 N 0.43 -0.23 0.27 1.72 0.02 -0.64 -2.52 113.55 112.59 2d85 h SER 79 Ca 0.13 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2d85 h SER 79 Cb -0.02 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 2d85 h SER 79 CO -0.05 -0.08 -0.26 0.24 -1.14 0.00 0.00 176.83 175.54 2d85 h MET 80 N 0.05 -0.54 -0.84 3.45 2.86 -0.83 0.22 114.93 119.29 2d85 h MET 80 Ca 0.17 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.96 2d85 h MET 80 Cb 0.25 0.12 -0.13 0.00 0.06 0.00 0.00 31.60 31.91 2d85 h MET 80 CO -0.33 -0.36 -0.48 0.00 1.06 0.00 0.00 176.91 176.80 2d85 h ALA 81 N 0.07 -0.28 -0.42 6.32 0.00 -1.00 0.33 119.26 124.28 2d85 h ALA 81 Ca -0.01 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2d85 h ALA 81 Cb 0.52 1.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 2d85 h ALA 81 CO -0.06 -0.83 -0.13 -0.09 0.00 0.00 0.00 179.25 178.15 2d85 h ARG 82 N -0.09 0.76 -0.30 0.00 1.12 -1.29 -1.53 114.38 113.05 2d85 h ARG 82 Ca 0.22 -0.26 0.04 0.00 -1.11 0.00 0.00 59.98 58.87 2d85 h ARG 82 Cb 0.52 -0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 30.38 2d85 h ARG 82 CO -0.86 0.86 0.05 -0.22 -3.11 0.00 0.00 179.97 176.69 2d85 h LYS 83 N 0.69 0.15 0.00 0.20 1.63 0.28 -1.46 116.57 118.07 2d85 h LYS 83 Ca 0.11 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.87 2d85 h LYS 83 Cb 0.61 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 2d85 h LYS 83 CO 0.04 0.10 -0.17 -0.84 -3.45 0.00 0.00 179.45 175.13 2d85 h ILE 84 N 0.16 0.36 0.00 2.00 3.07 -0.48 -3.47 117.51 119.15 2d85 h ILE 84 Ca 0.14 -1.14 0.00 0.00 1.55 0.00 0.00 64.86 65.41 2d85 h ILE 84 Cb 0.16 1.87 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 2d85 h ILE 84 CO -0.19 0.17 0.00 0.61 -1.05 0.00 0.00 178.15 177.68 2d85 n GLY 85 N 0.51 1.00 3.15 0.16 0.00 -0.55 -5.10 105.19 104.36 2d85 n GLY 85 Ca 0.01 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 45.68 2d85 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d85 s ALA 86 N 0.00 -3.70 -0.98 4.61 0.00 -0.94 -4.85 121.76 115.90 2d85 s ALA 86 Ca 0.00 1.38 -0.24 0.00 0.00 0.00 0.00 51.96 53.10 2d85 s ALA 86 Cb 0.00 -2.62 0.05 0.00 0.00 0.00 0.00 23.12 20.55 2d85 s ALA 86 CO 0.00 -1.65 1.43 1.03 0.00 0.00 0.00 175.76 176.57 2d85 s ARG 87 N 2.96 3.53 -0.16 0.00 0.52 -1.26 -2.92 118.95 121.62 2d85 s ARG 87 Ca 0.05 -0.99 -0.13 0.00 -0.52 0.00 0.00 55.73 54.14 2d85 s ARG 87 Cb -0.08 -5.20 -0.05 0.00 0.52 0.00 0.00 34.95 30.15 2d85 s ARG 87 CO -0.14 -2.21 0.28 0.08 0.02 0.00 0.00 175.30 173.33 2d85 s VAL 88 N 5.13 5.31 -0.87 3.52 1.01 -1.26 -5.00 120.40 128.24 2d85 s VAL 88 Ca 0.45 0.52 -0.00 0.00 0.00 0.00 0.00 61.98 62.95 2d85 s VAL 88 Cb -0.01 -3.62 0.34 0.00 0.00 0.00 0.00 36.38 33.09 2d85 s VAL 88 CO -0.07 0.40 1.73 0.00 0.00 0.00 0.00 175.10 177.17 2d85 n TYR 89 N 3.51 3.04 -4.65 5.22 9.36 -1.26 -4.98 117.16 127.40 2d85 n TYR 89 Ca -0.12 -2.70 -0.29 0.00 3.32 0.00 0.00 57.90 58.11 2d85 n TYR 89 Cb 0.52 -1.02 -0.07 0.00 -0.63 0.00 0.00 39.34 38.14 2d85 n TYR 89 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2d85 n ALA 90 N -0.27 0.46 -2.92 2.98 0.00 -1.26 -4.95 120.51 114.55 2d85 n ALA 90 Ca 0.47 -2.14 -0.23 0.00 0.00 0.00 0.00 53.44 51.54 2d85 n ALA 90 Cb 0.30 1.25 -0.16 0.00 0.00 0.00 0.00 19.45 20.84 2d85 n ALA 90 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2d85 s LEU 91 N 0.00 1.87 0.54 0.00 2.96 -1.26 -5.02 118.68 117.76 2d85 s LEU 91 Ca 0.06 -0.26 0.34 0.00 -0.22 0.00 0.00 54.13 54.05 2d85 s LEU 91 Cb 0.00 -0.74 1.39 0.00 0.50 0.00 0.00 46.19 47.34 2d85 s LEU 91 CO 0.04 0.11 1.98 1.55 -1.32 0.00 0.00 176.35 178.72 2d85 h PRO 92 N 6.25 0.00 -0.20 0.98 0.13 -1.95 -2.76 132.00 134.46 2d85 h PRO 92 Ca -0.33 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.66 2d85 h PRO 92 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2d85 h PRO 92 CO 0.48 0.00 -0.46 0.93 -0.23 0.00 0.00 178.00 178.73 2d85 h GLU 93 N 0.00 0.51 0.22 0.86 4.39 -1.95 -2.99 114.58 115.61 2d85 h GLU 93 Ca 0.00 -0.28 -0.34 0.00 0.34 0.00 0.00 59.36 59.09 2d85 h GLU 93 Cb 0.48 0.01 0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2d85 h GLU 93 CO 0.00 0.86 -1.55 -0.44 -1.16 0.00 0.00 179.01 176.72 2d85 h ASP 94 N 0.41 0.72 -0.88 1.42 5.19 -1.91 -3.32 116.42 118.05 2d85 h ASP 94 Ca 0.03 -0.86 0.15 0.00 -0.62 0.00 0.00 57.03 55.73 2d85 h ASP 94 Cb 0.96 -0.23 -0.07 0.00 0.18 0.00 0.00 39.33 40.16 2d85 h ASP 94 CO 0.08 1.69 0.57 0.25 -3.12 0.00 0.00 179.24 178.71 2d85 h LEU 95 N 0.13 0.60 -0.91 1.55 5.85 -1.50 -0.80 115.31 120.24 2d85 h LEU 95 Ca -0.27 0.04 0.20 0.00 0.84 0.00 0.00 57.88 58.68 2d85 h LEU 95 Cb 2.13 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 42.97 2d85 h LEU 95 CO 0.24 0.30 0.46 0.58 -0.34 0.00 0.00 178.44 179.67 2d85 h VAL 96 N 0.64 0.59 -1.11 1.05 2.07 -1.62 0.69 116.25 118.55 2d85 h VAL 96 Ca 0.45 -0.19 -0.65 0.00 0.82 0.00 0.00 66.70 67.13 2d85 h VAL 96 Cb 0.78 0.00 -0.27 0.00 -1.52 0.00 0.00 31.29 30.29 2d85 h VAL 96 CO -0.20 0.10 0.85 -0.62 0.02 0.00 0.00 177.57 177.72 2d85 n GLU 97 N -4.93 2.60 -3.70 1.57 1.02 -0.34 -4.59 120.64 112.26 2d85 n GLU 97 Ca 0.21 -3.12 -0.23 0.00 -0.02 0.00 0.00 57.16 54.01 2d85 n GLU 97 Cb 0.58 -2.21 -0.07 0.00 -0.02 0.00 0.00 31.44 29.73 2d85 n GLU 97 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2d85 n VAL 98 N -0.67 -0.53 -2.60 2.62 0.31 0.23 -4.79 118.33 112.90 2d85 n VAL 98 Ca 0.58 -0.27 -0.43 0.00 -0.01 0.00 0.00 64.34 64.21 2d85 n VAL 98 Cb 0.58 -0.61 -0.02 0.00 -0.91 0.00 0.00 33.84 32.88 2d85 n VAL 98 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2d85 s ASN 99 N -3.63 6.75 0.00 4.52 0.01 -0.98 -4.89 114.94 116.73 2d85 s ASN 99 Ca 0.13 0.75 0.15 0.00 -0.71 0.00 0.00 52.86 53.17 2d85 s ASN 99 Cb -0.07 -2.55 0.69 0.00 0.41 0.00 0.00 41.25 39.73 2d85 s ASN 99 CO 0.68 -1.10 1.43 -0.81 -1.51 0.00 0.00 177.10 175.80 2d85 n PRO 100 N 7.43 0.12 0.04 -0.60 -0.04 -1.26 -2.43 135.00 138.26 2d85 n PRO 100 Ca 0.12 0.19 -0.03 0.00 -0.04 0.00 0.00 63.50 63.75 2d85 n PRO 100 Cb 0.48 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.66 2d85 n PRO 100 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2d85 h LYS 101 N 0.00 0.40 0.00 0.54 1.79 -1.96 -3.10 116.57 114.24 2d85 h LYS 101 Ca 0.00 -0.16 -0.31 0.00 -2.18 0.00 0.00 60.65 58.00 2d85 h LYS 101 Cb 0.19 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.76 2d85 h LYS 101 CO 0.00 0.66 -2.18 -1.33 -1.08 0.00 0.00 179.45 175.52 2d85 n MET 102 N -4.11 0.52 0.29 3.15 2.81 -1.12 -4.39 117.12 114.27 2d85 n MET 102 Ca -0.01 0.12 0.11 0.00 -1.81 0.00 0.00 57.70 56.12 2d85 n MET 102 Cb 0.42 -1.41 0.61 0.00 -0.71 0.00 0.00 33.22 32.12 2d85 n MET 102 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2d85 h VAL 103 N -0.00 0.00 -1.00 2.03 2.07 -1.58 -1.16 116.25 116.61 2d85 h VAL 103 Ca -0.46 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.27 2d85 h VAL 103 Cb 1.71 0.50 -0.10 0.00 -1.52 0.00 0.00 31.29 31.88 2d85 h VAL 103 CO -0.07 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.13 2d85 h MET 104 N 0.00 0.63 0.02 1.57 -0.00 -1.74 -2.45 114.93 112.97 2d85 h MET 104 Ca 0.00 -0.04 -0.37 0.00 -0.00 0.00 0.00 59.70 59.29 2d85 h MET 104 Cb 0.77 -0.14 -0.06 0.00 -0.00 0.00 0.00 31.60 32.17 2d85 h MET 104 CO 0.00 0.42 -2.27 -2.37 -0.00 0.00 0.00 176.91 172.69 2d85 n THR 105 N -4.74 1.53 -0.02 -0.10 5.66 -0.45 -3.65 114.28 112.52 2d85 n THR 105 Ca 0.24 -0.69 -0.00 0.00 -3.05 0.00 0.00 64.05 60.54 2d85 n THR 105 Cb 0.65 -1.17 -0.00 0.00 -1.55 0.00 0.00 70.33 68.26 2d85 n THR 105 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2d85 h VAL 106 N 0.01 0.00 0.09 1.08 2.07 -1.36 0.22 116.25 118.37 2d85 h VAL 106 Ca -0.51 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 2d85 h VAL 106 Cb 2.03 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2d85 h VAL 106 CO -0.00 0.00 -0.04 -0.26 0.02 0.00 0.00 177.57 177.28 2d85 h PHE 107 N -0.00 -0.11 -0.87 1.57 0.04 -1.76 -3.29 116.94 112.52 2d85 h PHE 107 Ca 0.01 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.88 2d85 h PHE 107 Cb 0.02 0.04 -0.12 0.00 2.20 0.00 0.00 35.95 38.08 2d85 h PHE 107 CO -0.91 0.37 -0.43 0.00 -0.60 0.00 0.00 178.31 176.74 2d85 n ALA 108 N -2.44 -0.33 -0.27 2.45 0.00 -1.11 0.11 120.51 118.91 2d85 n ALA 108 Ca -0.08 0.80 0.08 0.00 0.00 0.00 0.00 53.44 54.24 2d85 n ALA 108 Cb 0.27 -0.25 0.22 0.00 0.00 0.00 0.00 19.45 19.68 2d85 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d85 h LEU 110 N 0.30 0.00 0.00 0.00 3.38 0.70 -1.74 115.31 117.95 2d85 h LEU 110 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 2d85 h LEU 110 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2d85 h LEU 110 CO -0.53 0.19 -0.44 0.24 0.09 0.00 0.00 178.44 177.99 2d85 h MET 111 N 0.00 0.00 -1.56 1.13 2.86 0.13 -3.34 114.93 114.16 2d85 h MET 111 Ca -0.00 0.00 0.45 0.00 -2.06 0.00 0.00 59.70 58.09 2d85 h MET 111 Cb 0.33 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.92 2d85 h MET 111 CO 0.02 0.00 1.11 0.78 1.06 0.00 0.00 176.91 179.89 2d85 h GLY 112 N 4.03 0.10 1.01 8.32 0.00 0.47 0.63 103.07 117.65 2d85 h GLY 112 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2d85 h GLY 112 CO 0.00 -0.03 0.37 1.70 0.00 0.00 0.00 176.54 178.59 2d85 h LYS 113 N 0.01 1.04 0.34 4.80 3.64 -1.74 -3.11 116.57 121.56 2d85 h LYS 113 Ca 0.75 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.99 2d85 h LYS 113 Cb 2.97 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 34.58 2d85 h LYS 113 CO -0.04 0.80 -0.26 0.78 -2.27 0.00 0.00 179.45 178.46 2d85 h GLY 114 N 1.02 -0.63 -0.83 5.01 0.00 0.01 -3.44 103.07 104.23 2d85 h GLY 114 Ca 0.25 0.29 -0.44 0.00 0.00 0.00 0.00 47.33 47.43 2d85 h GLY 114 CO -0.04 -0.24 0.24 1.06 0.00 0.00 0.00 176.54 177.56 2d85 s MET 115 N -6.07 0.29 -0.51 4.80 -1.94 -1.18 -5.00 119.30 109.70 2d85 s MET 115 Ca -0.16 0.18 -0.15 0.00 -1.71 0.00 0.00 55.69 53.85 2d85 s MET 115 Cb 0.06 -1.75 0.10 0.00 2.01 0.00 0.00 34.83 35.25 2d85 s MET 115 CO 0.64 -2.75 0.44 0.15 -0.01 0.00 0.00 175.02 173.49 2d85 s LYS 116 N -5.29 2.96 0.33 2.03 -0.14 -1.26 -4.95 119.74 113.42 2d85 s LYS 116 Ca 0.67 -1.55 0.06 0.00 -1.36 0.00 0.00 55.97 53.79 2d85 s LYS 116 Cb -0.13 -4.20 -0.07 0.00 -1.68 0.00 0.00 37.83 31.75 2d85 s LYS 116 CO 0.55 -1.19 -0.02 1.03 -0.76 0.00 0.00 175.35 174.96 2d85 s ARG 117 N 1.60 1.71 -0.22 1.68 0.52 -1.26 -5.12 118.95 117.87 2d85 s ARG 117 Ca 0.04 -1.91 -0.20 0.00 -0.52 0.00 0.00 55.73 53.13 2d85 s ARG 117 Cb -0.27 -1.28 -0.03 0.00 0.52 0.00 0.00 34.95 33.89 2d85 s ARG 117 CO 0.04 -0.02 0.60 0.14 0.02 0.00 0.00 175.30 176.08 2d85 s VAL 118 N -2.95 5.03 -0.29 3.52 -7.23 -1.26 -5.02 120.40 112.20 2d85 s VAL 118 Ca 0.33 1.10 -0.22 0.00 -1.81 0.00 0.00 61.98 61.38 2d85 s VAL 118 Cb 0.06 -3.91 0.17 0.00 0.56 0.00 0.00 36.38 33.26 2d85 s VAL 118 CO 0.15 0.10 1.25 -0.55 -0.31 0.00 0.00 175.10 175.74 2d85 s SER 119 N 1.28 -0.20 -0.13 4.85 0.15 -1.26 -5.16 113.70 113.23 2d85 s SER 119 Ca 0.27 0.37 0.01 0.00 0.70 0.00 0.00 55.95 57.30 2d85 s SER 119 Cb -0.16 0.60 -0.01 0.00 -1.71 0.00 0.00 66.02 64.75 2d85 s SER 119 CO 0.10 -0.06 -0.17 -0.83 1.20 0.00 0.00 173.24 173.48 2d85 s GLY 120 N 0.44 1.46 0.92 9.45 0.00 -1.26 -5.12 107.32 113.22 2d85 s GLY 120 Ca 0.01 -0.96 -0.12 0.00 0.00 0.00 0.00 44.72 43.66 2d85 s GLY 120 CO -0.12 -0.15 1.09 2.56 0.00 0.00 0.00 173.10 176.48 2d85 s PRO 121 N 0.50 1.03 -1.75 2.90 0.04 -1.26 -3.70 135.00 132.76 2d85 s PRO 121 Ca -0.11 0.74 -0.16 0.00 0.04 0.00 0.00 61.00 61.51 2d85 s PRO 121 Cb -0.16 -1.79 0.16 0.00 0.04 0.00 0.00 34.50 32.74 2d85 s PRO 121 CO 0.05 -2.37 0.47 0.45 0.04 0.00 0.00 177.00 175.64 2d85 n SER 122 N -3.96 -1.30 0.01 6.66 2.88 -1.26 -4.82 113.62 111.83 2d85 n SER 122 Ca 0.06 -1.21 -0.20 0.00 -1.33 0.00 0.00 58.87 56.20 2d85 n SER 122 Cb 0.56 -1.85 -0.14 0.00 -0.75 0.00 0.00 64.21 62.03 2d85 n SER 122 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2d85 h SER 123 N -1.24 0.35 -0.01 -3.46 0.87 -2.03 -3.57 113.55 104.45 2d85 h SER 123 Ca -0.61 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.05 2d85 h SER 123 Cb 1.39 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2d85 h SER 123 CO 0.82 1.42 0.00 0.61 -0.53 0.00 0.00 176.83 179.15