#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d85 n SER 2 N 0.00 5.53 -4.61 1.61 3.41 -1.26 -4.90 113.62 113.40 2d85 n SER 2 Ca 0.00 -2.55 -0.43 0.00 -0.26 0.00 0.00 58.87 55.63 2d85 n SER 2 Cb 0.00 -1.18 -0.03 0.00 -0.26 0.00 0.00 64.21 62.74 2d85 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d85 s SER 3 N 1.68 5.84 0.00 4.04 0.01 -1.26 -4.45 113.70 119.56 2d85 s SER 3 Ca 0.21 1.61 0.00 0.00 1.31 0.00 0.00 55.95 59.08 2d85 s SER 3 Cb 0.12 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2d85 s SER 3 CO -0.01 -1.70 0.00 0.61 0.41 0.00 0.00 173.24 172.55 2d85 n GLY 4 N 5.39 0.47 3.12 3.44 0.00 -1.26 -4.98 105.19 111.36 2d85 n GLY 4 Ca 0.24 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 2d85 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d85 s SER 5 N -4.00 5.33 -0.61 1.61 0.01 -1.26 -5.01 113.70 109.77 2d85 s SER 5 Ca 0.00 -2.63 -0.27 0.00 1.31 0.00 0.00 55.95 54.36 2d85 s SER 5 Cb 0.00 -1.87 -0.01 0.00 0.21 0.00 0.00 66.02 64.34 2d85 s SER 5 CO 0.00 -0.43 1.78 -0.55 0.41 0.00 0.00 173.24 174.45 2d85 s SER 6 N 1.09 5.42 0.00 2.44 0.15 -1.26 -3.49 113.70 118.05 2d85 s SER 6 Ca 0.15 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.09 2d85 s SER 6 Cb -0.21 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 2d85 s SER 6 CO -0.04 -2.27 0.00 0.61 1.20 0.00 0.00 173.24 172.75 2d85 n GLY 7 N 5.64 1.26 3.04 9.45 0.00 -1.26 -4.71 105.19 118.61 2d85 n GLY 7 Ca 0.18 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2d85 n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2d85 n ASN 8 N 0.00 -5.01 0.01 1.61 2.85 -1.23 -4.86 115.26 108.63 2d85 n ASN 8 Ca 0.00 0.15 0.12 0.00 -0.11 0.00 0.00 54.58 54.74 2d85 n ASN 8 Cb 0.00 -0.75 0.29 0.00 1.24 0.00 0.00 39.78 40.55 2d85 n ASN 8 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2d85 n ASP 9 N 2.94 0.48 0.12 1.20 9.92 -1.26 -3.63 116.55 126.32 2d85 n ASP 9 Ca -0.01 -0.05 0.13 0.00 -0.53 0.00 0.00 54.79 54.32 2d85 n ASP 9 Cb 0.60 0.12 0.42 0.00 -0.64 0.00 0.00 41.12 41.61 2d85 n ASP 9 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2d85 h ASP 10 N 0.00 0.00 0.88 -2.24 3.32 -1.97 -3.09 116.42 113.33 2d85 h ASP 10 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2d85 h ASP 10 Cb 0.56 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 2d85 h ASP 10 CO 0.00 0.00 -0.12 -0.29 -1.72 0.00 0.00 179.24 177.11 2d85 h ILE 11 N 0.00 0.32 -0.74 0.35 2.10 -1.92 -2.97 117.51 114.65 2d85 h ILE 11 Ca 0.00 -0.79 0.19 0.00 1.08 0.00 0.00 64.86 65.34 2d85 h ILE 11 Cb 0.66 1.60 -0.04 0.00 -1.09 0.00 0.00 36.82 37.95 2d85 h ILE 11 CO 0.00 0.11 0.52 0.40 -1.08 0.00 0.00 178.15 178.10 2d85 h ILE 12 N 0.00 0.69 0.00 2.19 2.04 -1.78 0.47 117.51 121.12 2d85 h ILE 12 Ca -0.00 -0.06 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 2d85 h ILE 12 Cb 0.59 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2d85 h ILE 12 CO 0.02 0.03 -0.78 0.58 0.00 0.00 0.00 178.15 177.99 2d85 h VAL 13 N 0.18 0.86 -0.53 1.67 2.07 -1.77 -3.30 116.25 115.42 2d85 h VAL 13 Ca 0.36 -1.92 0.11 0.00 0.82 0.00 0.00 66.70 66.07 2d85 h VAL 13 Cb 1.17 1.89 -0.10 0.00 -1.52 0.00 0.00 31.29 32.74 2d85 h VAL 13 CO -0.06 0.29 -0.10 -1.13 0.02 0.00 0.00 177.57 176.58 2d85 h ASN 14 N -1.00 -0.44 -0.08 0.57 -0.73 -1.50 -1.64 115.58 110.75 2d85 h ASN 14 Ca -0.19 0.15 0.04 0.00 1.87 0.00 0.00 56.30 58.17 2d85 h ASN 14 Cb 1.01 0.31 -0.05 0.00 0.27 0.00 0.00 38.32 39.85 2d85 h ASN 14 CO -0.12 -0.16 -0.26 -0.25 -0.37 0.00 0.00 177.43 176.27 2d85 h TRP 15 N 0.02 -0.71 -0.75 0.67 7.01 -1.10 0.43 115.95 121.52 2d85 h TRP 15 Ca 0.26 0.03 0.16 0.00 2.11 0.00 0.00 58.89 61.45 2d85 h TRP 15 Cb 0.40 0.33 -0.11 0.00 -2.10 0.00 0.00 29.16 27.68 2d85 h TRP 15 CO -0.42 -0.35 0.22 0.28 -2.79 0.00 0.00 178.44 175.38 2d85 h VAL 16 N -0.36 0.54 0.57 2.65 2.07 -1.40 0.34 116.25 120.66 2d85 h VAL 16 Ca 0.09 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 2d85 h VAL 16 Cb 0.49 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2d85 h VAL 16 CO -0.29 0.06 -0.27 0.78 0.02 0.00 0.00 177.57 177.87 2d85 h ASN 17 N 0.32 -0.65 0.36 0.57 2.35 -0.61 -2.76 115.58 115.15 2d85 h ASN 17 Ca 0.42 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 56.13 2d85 h ASN 17 Cb 0.71 0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.22 2d85 h ASN 17 CO -0.49 -0.32 -0.51 -0.33 -1.65 0.00 0.00 177.43 174.13 2d85 h GLU 18 N -1.00 -0.88 -0.98 0.81 4.39 -0.38 0.14 114.58 116.68 2d85 h GLU 18 Ca -0.08 0.06 0.33 0.00 0.34 0.00 0.00 59.36 60.01 2d85 h GLU 18 Cb 0.65 0.20 -0.17 0.00 -0.10 0.00 0.00 28.75 29.33 2d85 h GLU 18 CO 0.13 -0.59 0.32 1.15 -1.16 0.00 0.00 179.01 178.86 2d85 h THR 19 N -0.91 0.09 -0.15 1.13 2.02 -0.42 0.78 112.91 115.45 2d85 h THR 19 Ca -0.04 -0.02 -0.23 0.00 0.77 0.00 0.00 66.41 66.89 2d85 h THR 19 Cb 0.83 0.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2d85 h THR 19 CO -0.15 0.01 -0.80 -0.07 0.37 0.00 0.00 175.52 174.89 2d85 h LEU 20 N 0.07 0.95 0.05 2.58 3.38 -1.06 -2.80 115.31 118.49 2d85 h LEU 20 Ca 0.71 -0.63 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2d85 h LEU 20 Cb 1.67 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2d85 h LEU 20 CO -0.79 1.43 -0.03 -0.09 0.09 0.00 0.00 178.44 179.06 2d85 h ARG 21 N 0.54 -0.07 0.00 1.13 9.65 0.32 0.16 114.38 126.10 2d85 h ARG 21 Ca -0.06 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 2d85 h ARG 21 Cb 1.43 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 30.02 2d85 h ARG 21 CO 0.16 -0.04 -0.07 1.05 2.80 0.00 0.00 179.97 183.87 2d85 h GLU 22 N -0.08 0.00 -0.00 0.20 4.11 -0.73 -0.57 114.58 117.50 2d85 h GLU 22 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2d85 h GLU 22 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2d85 h GLU 22 CO 0.01 0.07 -0.49 0.00 0.07 0.00 0.00 179.01 178.68 2d85 n ALA 23 N -2.29 3.53 -2.91 1.06 0.00 -0.76 -4.96 120.51 114.18 2d85 n ALA 23 Ca -0.02 -0.36 -0.11 0.00 0.00 0.00 0.00 53.44 52.95 2d85 n ALA 23 Cb 0.18 -1.11 0.04 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.41 -3.72 -3.21 0.00 -0.58 0.30 -5.04 120.64 106.98 2d85 n GLU 24 Ca 0.06 0.42 -0.23 0.00 -0.42 0.00 0.00 57.16 57.00 2d85 n GLU 24 Cb 0.34 -4.20 0.00 0.00 -0.57 0.00 0.00 31.44 27.01 2d85 n GLU 24 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2d85 s LYS 25 N -5.25 3.23 -0.10 3.49 3.01 0.17 -5.01 119.74 119.29 2d85 s LYS 25 Ca 0.17 -0.51 0.16 0.00 -1.01 0.00 0.00 55.97 54.78 2d85 s LYS 25 Cb -0.08 -2.64 0.55 0.00 -1.01 0.00 0.00 37.83 34.66 2d85 s LYS 25 CO 0.37 -0.06 1.47 0.43 0.51 0.00 0.00 175.35 178.06 2d85 n SER 26 N -1.90 4.01 -4.66 2.83 7.64 -1.26 -4.75 113.62 115.52 2d85 n SER 26 Ca -0.01 -2.46 -0.29 0.00 1.01 0.00 0.00 58.87 57.11 2d85 n SER 26 Cb 0.57 -0.47 -0.08 0.00 -1.01 0.00 0.00 64.21 63.22 2d85 n SER 26 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d85 s SER 27 N -1.20 4.85 0.08 6.43 0.01 -1.26 -5.05 113.70 117.55 2d85 s SER 27 Ca 0.41 -0.28 -0.27 0.00 1.31 0.00 0.00 55.95 57.12 2d85 s SER 27 Cb 0.27 -1.08 0.09 0.00 0.21 0.00 0.00 66.02 65.51 2d85 s SER 27 CO 0.18 0.15 1.13 -0.94 0.41 0.00 0.00 173.24 174.17 2d85 s SER 28 N -2.48 -0.07 0.05 2.44 1.04 -1.26 -4.86 113.70 108.56 2d85 s SER 28 Ca 0.25 -0.34 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 2d85 s SER 28 Cb -0.11 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 2d85 s SER 28 CO 0.18 -0.63 -0.03 0.27 0.98 0.00 0.00 173.24 174.00 2d85 s ILE 29 N -2.60 0.25 -0.16 -1.02 -4.36 -1.26 -4.58 121.20 107.47 2d85 s ILE 29 Ca 0.17 -1.68 0.10 0.00 -0.26 0.00 0.00 60.65 58.97 2d85 s ILE 29 Cb 0.01 -1.34 -0.17 0.00 1.25 0.00 0.00 42.46 42.21 2d85 s ILE 29 CO 0.00 -0.91 -0.02 -1.20 0.24 0.00 0.00 174.94 173.06 2d85 n SER 30 N 0.33 1.65 -3.58 4.36 7.64 -1.26 -4.92 113.62 117.84 2d85 n SER 30 Ca -0.15 -0.03 -0.04 0.00 1.01 0.00 0.00 58.87 59.66 2d85 n SER 30 Cb 0.60 0.52 -0.00 0.00 -1.01 0.00 0.00 64.21 64.32 2d85 n SER 30 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d85 s SER 31 N -5.16 -0.11 0.56 6.43 0.01 -1.26 -5.00 113.70 109.17 2d85 s SER 31 Ca -0.13 -0.54 0.28 0.00 1.31 0.00 0.00 55.95 56.87 2d85 s SER 31 Cb 0.05 0.52 1.51 0.00 0.21 0.00 0.00 66.02 68.30 2d85 s SER 31 CO 0.57 -0.98 1.83 -0.26 0.41 0.00 0.00 173.24 174.80 2d85 h PHE 32 N 2.00 0.00 -1.47 2.43 0.04 -2.00 -0.76 116.94 117.18 2d85 h PHE 32 Ca -0.26 0.00 -0.63 0.00 2.80 0.00 0.00 57.97 59.89 2d85 h PHE 32 Cb 1.23 0.00 -0.38 0.00 2.20 0.00 0.00 35.95 39.00 2d85 h PHE 32 CO 0.75 0.00 -0.26 1.63 -0.60 0.00 0.00 178.31 179.82 2d85 n LYS 33 N -2.67 3.27 -2.93 1.51 5.02 -1.26 -4.63 118.16 116.48 2d85 n LYS 33 Ca -0.02 -4.17 -0.39 0.00 -2.02 0.00 0.00 58.31 51.71 2d85 n LYS 33 Cb 0.29 -2.26 -0.06 0.00 -0.02 0.00 0.00 35.03 32.97 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 -2.92 7.42 0.09 4.39 -1.08 -0.29 -4.99 116.67 119.29 2d85 s ASP 34 Ca 0.50 1.71 -0.16 0.00 -0.52 0.00 0.00 52.55 54.09 2d85 s ASP 34 Cb 0.42 -2.52 -0.09 0.00 -1.46 0.00 0.00 42.92 39.26 2d85 s ASP 34 CO -0.19 0.17 1.41 1.55 0.52 0.00 0.00 175.17 178.63 2d85 h PRO 35 N 4.14 0.66 -0.63 4.34 0.13 -1.96 -3.03 132.00 135.64 2d85 h PRO 35 Ca -0.47 -0.34 0.18 0.00 -0.87 0.00 0.00 66.00 64.50 2d85 h PRO 35 Cb 1.20 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2d85 h PRO 35 CO 0.66 0.95 0.57 0.87 -0.23 0.00 0.00 178.00 180.82 2d85 h LYS 36 N 0.39 0.00 -0.12 0.86 1.79 -1.94 0.29 116.57 117.84 2d85 h LYS 36 Ca 0.04 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.54 2d85 h LYS 36 Cb 0.82 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 2d85 h LYS 36 CO 0.06 0.00 0.08 0.82 -1.08 0.00 0.00 179.45 179.34 2d85 h ILE 37 N 0.00 0.95 -0.82 1.86 2.04 -1.86 -1.56 117.51 118.13 2d85 h ILE 37 Ca 0.30 -0.01 0.20 0.00 1.00 0.00 0.00 64.86 66.35 2d85 h ILE 37 Cb 1.43 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 2d85 h ILE 37 CO -0.00 0.00 0.56 0.28 0.00 0.00 0.00 178.15 178.99 2d85 h SER 38 N 0.02 0.24 0.38 1.72 0.02 -0.59 0.59 113.55 115.93 2d85 h SER 38 Ca 0.05 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2d85 h SER 38 Cb 0.19 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2d85 h SER 38 CO -0.00 0.10 -0.50 0.35 -1.14 0.00 0.00 176.83 175.64 2d85 n THR 39 N -4.43 0.00 -1.99 -2.27 -2.24 -0.59 -4.68 114.28 98.08 2d85 n THR 39 Ca 0.17 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.78 2d85 n THR 39 Cb 0.72 0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 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 -1.28 -4.28 0.08 3.42 7.64 0.20 -4.87 113.62 114.54 2d85 n SER 40 Ca 0.07 0.09 -0.13 0.00 1.01 0.00 0.00 58.87 59.91 2d85 n SER 40 Cb 0.34 -3.31 -0.08 0.00 -1.01 0.00 0.00 64.21 60.14 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 -1.28 -3.43 3.38 -1.79 0.10 115.31 112.09 2d85 h LEU 41 Ca -0.30 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.33 2d85 h LEU 41 Cb 1.12 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2d85 h LEU 41 CO 0.38 0.21 -0.25 1.55 0.09 0.00 0.00 178.44 180.42 2d85 h PRO 42 N -0.66 0.00 0.00 1.13 0.13 -1.81 -0.33 132.00 130.46 2d85 h PRO 42 Ca -0.02 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.86 2d85 h PRO 42 Cb 0.47 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.57 2d85 h PRO 42 CO 0.04 0.25 -1.34 0.28 -0.23 0.00 0.00 178.00 176.99 2d85 h VAL 43 N 0.00 1.26 0.00 1.56 2.07 -1.91 -2.93 116.25 116.30 2d85 h VAL 43 Ca -0.00 -3.04 -0.05 0.00 0.82 0.00 0.00 66.70 64.43 2d85 h VAL 43 Cb 0.68 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 2d85 h VAL 43 CO 0.03 0.72 -0.27 -0.07 0.02 0.00 0.00 177.57 178.00 2d85 h LEU 44 N 0.00 0.00 -1.28 2.57 3.38 -0.62 -3.31 115.31 116.06 2d85 h LEU 44 Ca -0.15 -0.86 -0.03 0.00 0.09 0.00 0.00 57.88 56.93 2d85 h LEU 44 Cb 1.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 2d85 h LEU 44 CO 0.10 1.09 0.11 0.44 0.09 0.00 0.00 178.44 180.27 2d85 h ASP 45 N -1.00 0.55 -0.74 -0.43 5.19 -1.23 -2.60 116.42 116.16 2d85 h ASP 45 Ca -0.07 -0.08 0.08 0.00 -0.62 0.00 0.00 57.03 56.34 2d85 h ASP 45 Cb 1.03 -0.14 -0.07 0.00 0.18 0.00 0.00 39.33 40.33 2d85 h ASP 45 CO -0.04 0.55 0.40 0.25 -3.12 0.00 0.00 179.24 177.27 2d85 h LEU 46 N 0.59 0.56 0.30 1.55 5.85 -1.64 0.16 115.31 122.68 2d85 h LEU 46 Ca 0.14 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2d85 h LEU 46 Cb 0.21 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2d85 h LEU 46 CO -0.00 0.33 -0.15 0.40 -0.34 0.00 0.00 178.44 178.68 2d85 h ILE 47 N 0.69 0.71 -0.85 4.05 2.04 -1.55 -3.16 117.51 119.45 2d85 h ILE 47 Ca 0.35 -0.56 0.11 0.00 1.00 0.00 0.00 64.86 65.76 2d85 h ILE 47 Cb 0.31 1.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.31 2d85 h ILE 47 CO -0.24 0.11 0.48 -0.78 0.00 0.00 0.00 178.15 177.73 2d85 h ASP 48 N -0.72 0.68 -0.98 1.72 1.82 -1.28 0.38 116.42 118.04 2d85 h ASP 48 Ca -0.04 0.05 0.28 0.00 -0.39 0.00 0.00 57.03 56.93 2d85 h ASP 48 Cb 0.49 -0.07 -0.04 0.00 0.68 0.00 0.00 39.33 40.38 2d85 h ASP 48 CO 0.07 0.37 0.70 0.00 -1.61 0.00 0.00 179.24 178.77 2d85 h ALA 49 N 1.48 2.85 0.07 -0.78 0.00 -0.64 -1.33 119.26 120.92 2d85 h ALA 49 Ca 0.42 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.96 2d85 h ALA 49 Cb 0.42 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2d85 h ALA 49 CO -0.27 -1.14 -1.91 -0.89 0.00 0.00 0.00 179.25 175.04 2d85 n ILE 50 N -4.28 1.68 -3.77 0.00 5.41 -0.04 -4.78 119.36 113.58 2d85 n ILE 50 Ca 0.21 -0.48 -0.30 0.00 1.00 0.00 0.00 62.75 63.18 2d85 n ILE 50 Cb 1.02 -1.78 -0.14 0.00 -0.71 0.00 0.00 39.64 38.03 2d85 n ILE 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2d85 s GLN 51 N -2.50 1.18 0.08 0.38 0.74 -0.28 -5.11 119.66 114.15 2d85 s GLN 51 Ca -0.26 -1.74 -0.31 0.00 0.05 0.00 0.00 55.36 53.10 2d85 s GLN 51 Cb 0.07 -2.40 -0.07 0.00 1.10 0.00 0.00 33.01 31.71 2d85 s GLN 51 CO 0.69 -1.08 1.38 -1.25 -0.55 0.00 0.00 175.29 174.49 2d85 s PRO 52 N 0.77 4.32 0.00 1.67 0.04 -0.90 -3.48 135.00 137.42 2d85 s PRO 52 Ca 0.14 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2d85 s PRO 52 Cb -0.22 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.99 2d85 s PRO 52 CO -0.09 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 176.90 2d85 n GLY 53 N 3.52 1.09 0.04 0.56 0.00 -1.26 -5.00 105.19 104.13 2d85 n GLY 53 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 2d85 n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2d85 h SER 54 N 1.33 -0.07 -2.93 1.61 0.02 -1.94 -3.43 113.55 108.14 2d85 h SER 54 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 2d85 h SER 54 Cb 0.00 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2d85 h SER 54 CO 0.00 -0.01 0.81 -0.63 -1.14 0.00 0.00 176.83 175.86 2d85 s ILE 55 N -2.11 3.61 -0.46 3.27 -1.09 -1.26 -4.99 121.20 118.18 2d85 s ILE 55 Ca -0.01 1.05 0.04 0.00 -2.23 0.00 0.00 60.65 59.49 2d85 s ILE 55 Cb 0.00 -3.67 0.12 0.00 -1.58 0.00 0.00 42.46 37.33 2d85 s ILE 55 CO 0.04 0.02 0.19 0.21 -1.23 0.00 0.00 174.94 174.17 2d85 s ASN 56 N 1.72 4.41 0.54 3.58 2.47 -1.26 -4.96 114.94 121.44 2d85 s ASN 56 Ca 0.64 -2.71 0.45 0.00 0.42 0.00 0.00 52.86 51.66 2d85 s ASN 56 Cb -0.33 -1.59 1.66 0.00 -1.45 0.00 0.00 41.25 39.55 2d85 s ASN 56 CO 0.28 -0.28 1.62 1.88 -3.72 0.00 0.00 177.10 176.88 2d85 h TYR 57 N 6.88 0.09 -0.79 0.43 -1.99 -1.94 0.58 116.97 120.23 2d85 h TYR 57 Ca -0.07 0.00 0.15 0.00 2.00 0.00 0.00 58.73 60.82 2d85 h TYR 57 Cb 0.93 -0.02 -0.10 0.00 2.00 0.00 0.00 36.73 39.54 2d85 h TYR 57 CO 0.50 -0.04 0.34 0.22 -0.00 0.00 0.00 178.16 179.18 2d85 h ASP 58 N 0.01 0.34 0.77 3.88 1.82 -2.00 -1.13 116.42 120.12 2d85 h ASP 58 Ca 0.86 0.11 -0.25 0.00 -0.39 0.00 0.00 57.03 57.36 2d85 h ASP 58 Cb 3.33 0.07 -0.02 0.00 0.68 0.00 0.00 39.33 43.39 2d85 h ASP 58 CO -0.08 0.12 -1.24 -0.07 -1.61 0.00 0.00 179.24 176.36 2d85 h LEU 59 N 0.48 0.13-10.26 2.28 3.38 -0.27 -3.46 115.31 107.59 2d85 h LEU 59 Ca 0.44 -0.15 -0.43 0.00 0.09 0.00 0.00 57.88 57.83 2d85 h LEU 59 Cb 0.67 -0.04 0.19 0.00 0.09 0.00 0.00 40.66 41.57 2d85 h LEU 59 CO -0.41 1.13 0.08 -0.76 0.09 0.00 0.00 178.44 178.57 2d85 s LEU 60 N -6.71 0.74 -0.02 1.67 1.43 -0.43 -5.04 118.68 110.32 2d85 s LEU 60 Ca -0.02 1.10 -0.05 0.00 -1.03 0.00 0.00 54.13 54.12 2d85 s LEU 60 Cb 0.09 -2.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 2d85 s LEU 60 CO 0.84 -4.02 -0.10 0.29 0.23 0.00 0.00 176.35 173.58 2d85 n LYS 61 N -4.75 0.16 -2.88 1.70 4.01 -1.26 -4.94 118.16 110.19 2d85 n LYS 61 Ca 0.07 0.06 -0.12 0.00 -0.51 0.00 0.00 58.31 57.81 2d85 n LYS 61 Cb 0.57 -0.68 -0.01 0.00 -0.51 0.00 0.00 35.03 34.40 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 -3.40 -0.32 -3.58 -0.18 5.66 -1.26 -4.88 114.28 106.31 2d85 n THR 62 Ca -0.04 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.80 2d85 n THR 62 Cb 0.16 -0.81 -0.13 0.00 -1.55 0.00 0.00 70.33 67.99 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 -5.45 0.15 -1.74 1.09 -1.05 -1.26 -4.90 118.70 105.54 2d85 s GLU 63 Ca 0.17 0.49 -0.15 0.00 -0.15 0.00 0.00 54.97 55.33 2d85 s GLU 63 Cb -0.10 -0.57 0.14 0.00 -0.44 0.00 0.00 34.13 33.16 2d85 s GLU 63 CO 0.21 -0.46 0.43 0.27 0.95 0.00 0.00 175.26 176.66 2d85 n ASN 64 N 5.33 -1.07 -3.71 0.83 0.23 -1.26 -4.87 115.26 110.74 2d85 n ASN 64 Ca -0.05 -1.22 -0.22 0.00 -0.53 0.00 0.00 54.58 52.56 2d85 n ASN 64 Cb 0.50 -1.82 0.16 0.00 -2.08 0.00 0.00 39.78 36.54 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 -4.28 -1.50 -3.68 -4.53 4.77 -1.26 -5.05 117.00 101.47 2d85 n LEU 65 Ca -0.05 -0.37 -0.07 0.00 -0.03 0.00 0.00 56.01 55.50 2d85 n LEU 65 Cb 0.54 -0.81 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 2d85 n LEU 65 CO 0.91 -3.30 0.57 0.54 -1.33 0.00 0.00 177.39 174.78 2d85 s ASN 66 N -2.01 -0.31 0.42 -1.43 4.22 -1.26 -4.88 114.94 109.69 2d85 s ASN 66 Ca 0.42 -0.33 0.33 0.00 -2.14 0.00 0.00 52.86 51.15 2d85 s ASN 66 Cb -0.07 0.57 1.39 0.00 1.28 0.00 0.00 41.25 44.42 2d85 s ASN 66 CO 0.42 -1.02 1.39 -0.67 -2.04 0.00 0.00 177.10 175.18 2d85 n ASP 67 N -0.41 0.13 -0.00 3.54 -0.08 -1.26 0.93 116.55 119.40 2d85 n ASP 67 Ca -0.08 1.13 -0.01 0.00 -1.51 0.00 0.00 54.79 54.33 2d85 n ASP 67 Cb 0.61 -0.56 -0.00 0.00 2.34 0.00 0.00 41.12 43.51 2d85 n ASP 67 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2d85 h ASP 68 N 0.00 -0.04 0.29 1.67 5.19 -2.01 -3.29 116.42 118.23 2d85 h ASP 68 Ca 0.80 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.21 2d85 h ASP 68 Cb 2.76 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 42.26 2d85 h ASP 68 CO -0.30 0.19 -0.35 -0.33 -3.12 0.00 0.00 179.24 175.33 2d85 h GLU 69 N -0.48 -0.66 -0.84 3.56 4.39 -1.39 -2.35 114.58 116.81 2d85 h GLU 69 Ca -0.01 0.05 0.26 0.00 0.34 0.00 0.00 59.36 60.00 2d85 h GLU 69 Cb 0.04 0.15 -0.16 0.00 -0.10 0.00 0.00 28.75 28.68 2d85 h GLU 69 CO 0.01 -0.44 0.11 1.63 -1.16 0.00 0.00 179.01 179.16 2d85 n LYS 70 N -5.45 -0.06 0.26 2.33 5.02 0.26 -0.55 118.16 119.97 2d85 n LYS 70 Ca -0.09 1.23 -0.11 0.00 -2.02 0.00 0.00 58.31 57.32 2d85 n LYS 70 Cb 0.35 -2.01 -0.05 0.00 -0.02 0.00 0.00 35.03 33.30 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 -0.66 -1.16 -0.35 5.85 -1.49 -2.13 115.31 115.38 2d85 h LEU 71 Ca 0.55 0.03 0.44 0.00 0.84 0.00 0.00 57.88 59.75 2d85 h LEU 71 Cb 1.23 0.18 -0.16 0.00 0.37 0.00 0.00 40.66 42.28 2d85 h LEU 71 CO -0.76 -0.43 0.69 0.59 -0.34 0.00 0.00 178.44 178.20 2d85 n ASN 72 N -3.99 0.28 -0.13 1.25 3.02 0.28 0.17 115.26 116.14 2d85 n ASN 72 Ca -0.09 1.52 -0.11 0.00 -0.03 0.00 0.00 54.58 55.88 2d85 n ASN 72 Cb 0.28 -0.74 -0.02 0.00 -0.61 0.00 0.00 39.78 38.69 2d85 n ASN 72 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2d85 h ASN 73 N 0.00 0.70 -0.51 6.41 4.21 -1.03 -1.72 115.58 123.64 2d85 h ASN 73 Ca 0.86 -0.34 -0.03 0.00 1.21 0.00 0.00 56.30 58.00 2d85 h ASN 73 Cb 2.49 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 39.48 2d85 h ASN 73 CO -0.63 0.87 0.21 0.00 -1.29 0.00 0.00 177.43 176.60 2d85 h ALA 74 N 0.85 0.67 -0.67 -0.83 0.00 0.23 -1.12 119.26 118.38 2d85 h ALA 74 Ca 0.10 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2d85 h ALA 74 Cb 0.54 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2d85 h ALA 74 CO 0.03 0.26 0.20 0.87 0.00 0.00 0.00 179.25 180.61 2d85 h LYS 75 N 0.69 1.04 0.20 0.00 1.57 -1.12 -2.77 116.57 116.17 2d85 h LYS 75 Ca 0.17 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2d85 h LYS 75 Cb 0.18 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2d85 h LYS 75 CO -0.02 0.90 -0.09 -0.92 -0.57 0.00 0.00 179.45 178.75 2d85 h TYR 76 N 1.00 -0.24 -0.34 -1.35 3.20 -1.04 -2.05 116.97 116.15 2d85 h TYR 76 Ca 0.22 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.13 2d85 h TYR 76 Cb 0.30 0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.57 2d85 h TYR 76 CO 0.02 0.07 -0.51 0.00 -1.64 0.00 0.00 178.16 176.10 2d85 h ALA 77 N 0.16 -0.70 -0.99 1.82 0.00 -1.14 0.00 119.26 118.41 2d85 h ALA 77 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2d85 h ALA 77 Cb 0.42 1.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.15 2d85 h ALA 77 CO 0.04 -1.00 0.63 0.82 0.00 0.00 0.00 179.25 179.74 2d85 h ILE 78 N -0.42 0.99 -0.31 0.00 2.04 -1.54 -2.14 117.51 116.13 2d85 h ILE 78 Ca 0.08 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.64 2d85 h ILE 78 Cb 0.62 -0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 2d85 h ILE 78 CO -0.55 0.19 -0.09 -1.28 0.00 0.00 0.00 178.15 176.43 2d85 h SER 79 N 1.06 -0.32 -0.47 1.72 0.87 -0.28 -2.03 113.55 114.10 2d85 h SER 79 Ca 0.46 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 61.15 2d85 h SER 79 Cb 0.34 0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.47 2d85 h SER 79 CO -0.23 -0.12 0.25 0.24 -0.53 0.00 0.00 176.83 176.45 2d85 h MET 80 N -0.02 0.48 -0.79 2.24 2.86 -0.64 -2.72 114.93 116.34 2d85 h MET 80 Ca 0.15 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.83 2d85 h MET 80 Cb 0.25 -0.11 -0.09 0.00 0.06 0.00 0.00 31.60 31.70 2d85 h MET 80 CO -0.33 0.32 -0.47 0.00 1.06 0.00 0.00 176.91 177.49 2d85 n ALA 81 N -2.30 -0.51 -0.35 6.32 0.00 -0.77 0.23 120.51 123.13 2d85 n ALA 81 Ca 0.03 0.67 0.03 0.00 0.00 0.00 0.00 53.44 54.17 2d85 n ALA 81 Cb 0.11 -0.01 0.19 0.00 0.00 0.00 0.00 19.45 19.74 2d85 n ALA 81 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2d85 h ARG 82 N 0.00 1.12 -0.26 0.00 1.12 -1.45 0.48 114.38 115.39 2d85 h ARG 82 Ca 0.13 -0.07 0.06 0.00 -1.11 0.00 0.00 59.98 58.99 2d85 h ARG 82 Cb 0.32 -0.25 -0.08 0.00 -0.01 0.00 0.00 29.97 29.96 2d85 h ARG 82 CO -0.74 0.74 -0.30 -0.22 -3.11 0.00 0.00 179.97 176.34 2d85 h LYS 83 N 1.15 -0.29 0.00 0.20 1.63 0.09 0.35 116.57 119.70 2d85 h LYS 83 Ca 0.42 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.24 2d85 h LYS 83 Cb 0.16 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2d85 h LYS 83 CO -0.16 -0.19 0.00 -0.84 -3.45 0.00 0.00 179.45 174.80 2d85 h ILE 84 N -0.30 0.00 0.00 2.00 3.07 -0.84 -3.47 117.51 117.97 2d85 h ILE 84 Ca 0.14 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 65.89 2d85 h ILE 84 Cb 0.52 1.62 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 2d85 h ILE 84 CO -0.43 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.28 2d85 n GLY 85 N 0.63 0.67 2.41 0.16 0.00 0.11 -5.07 105.19 104.11 2d85 n GLY 85 Ca 0.03 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 2d85 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d85 n ALA 86 N 0.00 4.42 -1.09 4.61 0.00 0.15 -4.92 120.51 123.68 2d85 n ALA 86 Ca 0.00 -3.73 -0.29 0.00 0.00 0.00 0.00 53.44 49.42 2d85 n ALA 86 Cb 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 19.45 18.75 2d85 n ALA 86 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2d85 n ARG 87 N -0.50 0.00 -4.28 0.00 0.63 -1.26 -4.31 116.66 106.93 2d85 n ARG 87 Ca 0.31 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.97 2d85 n ARG 87 Cb 0.81 -1.07 -0.09 0.00 0.45 0.00 0.00 32.46 32.56 2d85 n ARG 87 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2d85 s VAL 88 N 6.13 3.22 -0.69 5.15 0.11 -1.26 -5.05 120.40 128.01 2d85 s VAL 88 Ca 0.98 -1.62 0.05 0.00 -2.93 0.00 0.00 61.98 58.46 2d85 s VAL 88 Cb -0.90 -2.59 0.18 0.00 -1.53 0.00 0.00 36.38 31.55 2d85 s VAL 88 CO 0.36 -0.10 0.53 0.00 -3.33 0.00 0.00 175.10 172.57 2d85 n TYR 89 N 0.08 3.21 -4.07 1.54 9.36 -1.26 -5.06 117.16 120.96 2d85 n TYR 89 Ca -0.11 -4.27 -0.13 0.00 3.32 0.00 0.00 57.90 56.71 2d85 n TYR 89 Cb 0.55 -0.59 -0.04 0.00 -0.63 0.00 0.00 39.34 38.62 2d85 n TYR 89 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2d85 s ALA 90 N -1.59 0.55 -0.04 2.98 0.00 -1.26 -4.90 121.76 117.49 2d85 s ALA 90 Ca 0.27 -1.38 0.06 0.00 0.00 0.00 0.00 51.96 50.92 2d85 s ALA 90 Cb -0.01 1.14 -0.01 0.00 0.00 0.00 0.00 23.12 24.23 2d85 s ALA 90 CO -0.15 -0.80 -0.22 -1.17 0.00 0.00 0.00 175.76 173.42 2d85 s LEU 91 N -3.18 2.02 0.28 0.00 2.96 -1.26 -5.01 118.68 114.48 2d85 s LEU 91 Ca 0.29 -0.43 0.24 0.00 -0.22 0.00 0.00 54.13 54.01 2d85 s LEU 91 Cb -0.00 -1.19 1.01 0.00 0.50 0.00 0.00 46.19 46.51 2d85 s LEU 91 CO 0.17 0.24 1.73 -0.81 -1.32 0.00 0.00 176.35 176.36 2d85 n PRO 92 N 2.79 0.21 -0.12 0.98 -0.04 -1.26 -2.98 135.00 134.58 2d85 n PRO 92 Ca -0.17 0.44 -0.11 0.00 -0.04 0.00 0.00 63.50 63.62 2d85 n PRO 92 Cb 0.52 -1.90 -0.02 0.00 -0.04 0.00 0.00 33.50 32.06 2d85 n PRO 92 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2d85 h GLU 93 N 0.00 0.67 0.00 0.54 5.08 -1.95 -2.84 114.58 116.08 2d85 h GLU 93 Ca 0.00 -0.24 -0.13 0.00 -1.00 0.00 0.00 59.36 57.99 2d85 h GLU 93 Cb 0.36 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2d85 h GLU 93 CO 0.00 0.81 -0.63 -0.44 -1.00 0.00 0.00 179.01 177.75 2d85 h ASP 94 N 0.46 0.00 -0.37 1.42 5.19 -1.94 -3.22 116.42 117.96 2d85 h ASP 94 Ca 0.09 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.47 2d85 h ASP 94 Cb 0.55 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 2d85 h ASP 94 CO 0.03 0.63 0.12 0.25 -3.12 0.00 0.00 179.24 177.15 2d85 h LEU 95 N 0.00 0.59 -2.11 1.55 5.85 -1.46 -1.83 115.31 117.91 2d85 h LEU 95 Ca -0.01 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2d85 h LEU 95 Cb 1.38 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 2d85 h LEU 95 CO 0.08 0.58 -0.01 0.58 -0.34 0.00 0.00 178.44 179.33 2d85 h VAL 96 N 0.63 0.86 -0.90 1.05 2.07 -1.51 -1.40 116.25 117.05 2d85 h VAL 96 Ca 0.15 -0.05 -0.53 0.00 0.82 0.00 0.00 66.70 67.09 2d85 h VAL 96 Cb 0.21 1.03 -0.28 0.00 -1.52 0.00 0.00 31.29 30.73 2d85 h VAL 96 CO -0.01 0.01 0.56 -0.62 0.02 0.00 0.00 177.57 177.54 2d85 n GLU 97 N -4.31 2.41 -3.79 1.57 1.02 -0.73 -4.59 120.64 112.23 2d85 n GLU 97 Ca -0.03 -3.19 -0.23 0.00 -0.02 0.00 0.00 57.16 53.69 2d85 n GLU 97 Cb 0.10 -2.18 -0.05 0.00 -0.02 0.00 0.00 31.44 29.29 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 -1.05 -0.88 -3.07 2.62 0.31 -0.53 -4.83 118.33 110.90 2d85 n VAL 98 Ca 0.57 -0.35 -0.42 0.00 -0.01 0.00 0.00 64.34 64.12 2d85 n VAL 98 Cb 1.22 -0.83 -0.06 0.00 -0.91 0.00 0.00 33.84 33.26 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 -3.96 6.46 0.00 4.52 0.01 -0.96 -4.85 114.94 116.15 2d85 s ASN 99 Ca 0.06 0.18 0.16 0.00 -0.71 0.00 0.00 52.86 52.55 2d85 s ASN 99 Cb -0.03 -2.34 0.92 0.00 0.41 0.00 0.00 41.25 40.21 2d85 s ASN 99 CO 0.69 -0.63 1.36 -0.81 -1.51 0.00 0.00 177.10 176.19 2d85 n PRO 100 N 6.14 0.46 0.07 -0.60 -0.04 -1.26 -2.40 135.00 137.37 2d85 n PRO 100 Ca -0.00 0.01 -0.12 0.00 -0.04 0.00 0.00 63.50 63.35 2d85 n PRO 100 Cb 0.48 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.39 0.00 0.54 6.56 -1.95 -3.10 116.57 119.00 2d85 h LYS 101 Ca 0.00 -0.40 -0.23 0.00 -1.06 0.00 0.00 60.65 58.96 2d85 h LYS 101 Cb 0.01 0.11 -0.04 0.00 -0.57 0.00 0.00 32.23 31.74 2d85 h LYS 101 CO 0.00 1.07 -2.04 -1.33 -2.06 0.00 0.00 179.45 175.09 2d85 n MET 102 N -3.75 1.20 0.28 3.15 2.81 -1.11 -4.35 117.12 115.35 2d85 n MET 102 Ca -0.06 -0.04 0.18 0.00 -1.81 0.00 0.00 57.70 55.97 2d85 n MET 102 Cb 0.81 -1.41 0.79 0.00 -0.71 0.00 0.00 33.22 32.70 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 -0.99 2.03 2.07 -1.60 -2.94 116.25 114.82 2d85 h VAL 103 Ca -0.35 -0.37 0.27 0.00 0.82 0.00 0.00 66.70 67.07 2d85 h VAL 103 Cb 1.75 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 32.79 2d85 h VAL 103 CO 0.02 0.00 0.68 0.00 0.02 0.00 0.00 177.57 178.29 2d85 h MET 104 N 0.00 0.16 0.00 1.57 -0.00 -1.74 0.42 114.93 115.35 2d85 h MET 104 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2d85 h MET 104 Cb 0.38 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 31.94 2d85 h MET 104 CO 0.00 0.11 -1.29 -2.37 -0.00 0.00 0.00 176.91 173.36 2d85 n THR 105 N -4.38 0.10 0.00 -0.10 5.66 -1.11 -3.70 114.28 110.74 2d85 n THR 105 Ca 0.22 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 2d85 n THR 105 Cb 0.95 0.32 0.00 0.00 -1.55 0.00 0.00 70.33 70.05 2d85 n THR 105 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2d85 n VAL 106 N -1.96 0.00 0.05 1.08 0.31 0.14 -2.72 118.33 115.23 2d85 n VAL 106 Ca 0.01 1.06 -0.13 0.00 -0.01 0.00 0.00 64.34 65.27 2d85 n VAL 106 Cb 0.45 -1.98 -0.08 0.00 -0.91 0.00 0.00 33.84 31.32 2d85 n VAL 106 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2d85 h PHE 107 N 0.00 -0.11 -0.97 3.52 0.04 -1.74 -3.11 116.94 114.57 2d85 h PHE 107 Ca 0.00 -0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.89 2d85 h PHE 107 Cb 0.00 0.03 -0.14 0.00 2.20 0.00 0.00 35.95 38.05 2d85 h PHE 107 CO 0.12 0.18 -0.47 0.00 -0.60 0.00 0.00 178.31 177.54 2d85 n ALA 108 N -2.29 -0.35 -0.21 2.45 0.00 -1.24 0.43 120.51 119.30 2d85 n ALA 108 Ca -0.08 0.90 0.01 0.00 0.00 0.00 0.00 53.44 54.27 2d85 n ALA 108 Cb 0.18 -0.29 0.12 0.00 0.00 0.00 0.00 19.45 19.46 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 0.37 0.65 -0.12 0.00 3.38 0.05 -1.27 115.31 118.37 2d85 h LEU 110 Ca 0.33 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2d85 h LEU 110 Cb 0.45 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2d85 h LEU 110 CO -0.35 0.67 0.00 0.23 0.09 0.00 0.00 178.44 179.08 2d85 n MET 111 N -4.28 0.04 0.20 1.13 2.81 0.98 -3.39 117.12 114.60 2d85 n MET 111 Ca 0.03 0.27 0.13 0.00 -1.81 0.00 0.00 57.70 56.31 2d85 n MET 111 Cb 0.23 -1.57 0.43 0.00 -0.71 0.00 0.00 33.22 31.61 2d85 n MET 111 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2d85 h GLY 112 N 2.58 0.00 1.32 3.03 0.00 -0.51 0.95 103.07 110.44 2d85 h GLY 112 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2d85 h GLY 112 CO 0.00 0.00 -1.47 1.70 0.00 0.00 0.00 176.54 176.77 2d85 h LYS 113 N 0.00 0.30 0.00 4.80 1.63 -1.79 -3.39 116.57 118.11 2d85 h LYS 113 Ca 0.12 -0.50 0.00 0.00 -0.85 0.00 0.00 60.65 59.42 2d85 h LYS 113 Cb 1.65 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 33.47 2d85 h LYS 113 CO -0.00 1.19 0.00 0.41 -3.45 0.00 0.00 179.45 177.60 2d85 n GLY 114 N 1.65 -2.88 3.55 5.01 0.00 0.33 -4.66 105.19 108.20 2d85 n GLY 114 Ca -0.15 0.18 -0.49 0.00 0.00 0.00 0.00 46.02 45.56 2d85 n GLY 114 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2d85 n MET 115 N -1.46 0.97 -3.85 1.61 -0.00 -1.22 -4.91 117.12 108.26 2d85 n MET 115 Ca 0.00 0.35 -0.05 0.00 -0.00 0.00 0.00 57.70 58.00 2d85 n MET 115 Cb 0.00 -1.77 0.02 0.00 -0.00 0.00 0.00 33.22 31.46 2d85 n MET 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2d85 s LYS 116 N -0.57 1.56 -0.02 3.17 0.00 -1.26 -4.98 119.74 117.65 2d85 s LYS 116 Ca 0.72 -1.00 -0.12 0.00 0.00 0.00 0.00 55.97 55.57 2d85 s LYS 116 Cb -0.87 0.44 0.02 0.00 0.00 0.00 0.00 37.83 37.42 2d85 s LYS 116 CO 0.54 -0.73 0.25 1.03 0.00 0.00 0.00 175.35 176.44 2d85 s ARG 117 N -2.31 0.58 0.08 1.78 0.52 -1.26 -4.97 118.95 113.37 2d85 s ARG 117 Ca 0.19 -0.19 -0.02 0.00 -0.52 0.00 0.00 55.73 55.20 2d85 s ARG 117 Cb -0.03 0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.65 2d85 s ARG 117 CO 0.07 -0.15 0.02 0.08 0.02 0.00 0.00 175.30 175.34 2d85 s VAL 118 N -1.18 0.18 -0.09 3.52 1.01 -1.26 -5.08 120.40 117.49 2d85 s VAL 118 Ca -0.12 -1.80 -0.27 0.00 0.00 0.00 0.00 61.98 59.78 2d85 s VAL 118 Cb -0.06 -1.69 -0.23 0.00 0.00 0.00 0.00 36.38 34.41 2d85 s VAL 118 CO 0.03 -0.80 0.95 -1.28 0.00 0.00 0.00 175.10 174.01 2d85 h SER 119 N 3.03 -0.01 -3.32 3.32 0.87 -2.02 -3.46 113.55 111.96 2d85 h SER 119 Ca -0.34 -0.77 -0.53 0.00 -1.23 0.00 0.00 61.79 58.92 2d85 h SER 119 Cb 1.16 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 2d85 h SER 119 CO 0.63 0.78 -0.12 -0.83 -0.53 0.00 0.00 176.83 176.76 2d85 s GLY 120 N -3.79 2.03 -1.08 5.77 0.00 -1.26 -4.98 107.32 104.01 2d85 s GLY 120 Ca -0.17 -0.43 -0.23 0.00 0.00 0.00 0.00 44.72 43.88 2d85 s GLY 120 CO 0.67 -0.31 1.94 2.56 0.00 0.00 0.00 173.10 177.96 2d85 s PRO 121 N -3.26 2.51 -0.10 2.90 0.04 -1.26 -4.93 135.00 130.90 2d85 s PRO 121 Ca 0.46 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.64 2d85 s PRO 121 Cb -0.11 -5.18 -0.02 0.00 0.04 0.00 0.00 34.50 29.23 2d85 s PRO 121 CO 0.27 -3.78 -0.10 -1.12 0.04 0.00 0.00 177.00 172.31 2d85 s SER 122 N 7.05 4.30 -0.58 6.66 0.01 -1.26 -5.08 113.70 124.80 2d85 s SER 122 Ca 0.69 -0.19 -0.15 0.00 1.31 0.00 0.00 55.95 57.60 2d85 s SER 122 Cb -0.03 -1.38 0.14 0.00 0.21 0.00 0.00 66.02 64.97 2d85 s SER 122 CO 0.08 0.25 0.53 -0.44 0.41 0.00 0.00 173.24 174.07 2d85 s SER 123 N -0.14 6.24 0.00 2.44 0.01 -1.26 -5.06 113.70 115.93 2d85 s SER 123 Ca 0.00 -1.92 0.00 0.00 1.31 0.00 0.00 55.95 55.34 2d85 s SER 123 Cb -0.13 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 63.90 2d85 s SER 123 CO 0.03 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.48