#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2d s ASN 2 N 0.00 4.92 0.61 1.61 3.84 -1.26 -5.08 114.94 119.59 3h2d s ASN 2 Ca 0.00 -0.13 0.35 0.00 0.21 0.00 0.00 52.86 53.29 3h2d s ASN 2 Cb 0.00 -1.82 2.01 0.00 -0.55 0.00 0.00 41.25 40.89 3h2d s ASN 2 CO 0.00 0.13 2.29 1.62 -2.79 0.00 0.00 177.10 178.35 3h2d h VAL 3 N 5.19 0.34 0.00 -5.21 3.04 -2.01 -1.88 116.25 115.73 3h2d h VAL 3 Ca -0.34 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 3h2d h VAL 3 Cb 1.18 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 3h2d h VAL 3 CO 0.63 0.01 0.00 0.59 -1.01 0.00 0.00 177.57 177.79 3h2d n ASN 4 N -3.57 0.31 0.29 3.17 3.02 -1.26 -2.52 115.26 114.70 3h2d n ASN 4 Ca -0.03 0.61 0.20 0.00 -0.03 0.00 0.00 54.58 55.33 3h2d n ASN 4 Cb 0.09 -0.66 1.04 0.00 -0.61 0.00 0.00 39.78 39.64 3h2d n ASN 4 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3h2d h PHE 5 N 0.00 0.00 0.00 3.10 0.04 -1.82 -1.56 116.94 116.69 3h2d h PHE 5 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3h2d h PHE 5 Cb 0.15 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 3h2d h PHE 5 CO 0.00 0.00 -0.07 0.97 -0.60 0.00 0.00 178.31 178.61 3h2d h ILE 6 N 0.00 0.12 -0.55 -0.55 2.10 -1.74 -3.38 117.51 113.50 3h2d h ILE 6 Ca 0.00 -1.13 0.08 0.00 1.08 0.00 0.00 64.86 64.89 3h2d h ILE 6 Cb 0.01 2.02 -0.06 0.00 -1.09 0.00 0.00 36.82 37.70 3h2d h ILE 6 CO 0.00 0.07 0.22 0.78 -1.08 0.00 0.00 178.15 178.13 3h2d h ASN 7 N 0.00 0.24 -0.65 2.19 2.35 -1.50 -0.40 115.58 117.80 3h2d h ASN 7 Ca -0.00 0.06 0.09 0.00 -0.55 0.00 0.00 56.30 55.90 3h2d h ASN 7 Cb 1.01 0.04 -0.04 0.00 0.05 0.00 0.00 38.32 39.38 3h2d h ASN 7 CO 0.01 0.16 0.43 -0.65 -1.65 0.00 0.00 177.43 175.73 3h2d h PRO 8 N 0.41 0.52 -0.06 0.81 0.11 -1.77 0.10 132.00 132.12 3h2d h PRO 8 Ca 0.27 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.25 3h2d h PRO 8 Cb 0.29 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.29 3h2d h PRO 8 CO -0.26 0.35 -0.36 0.74 -0.21 0.00 0.00 178.00 178.26 3h2d h PHE 9 N 0.54 0.47 -0.29 0.65 0.04 -1.54 -2.12 116.94 114.70 3h2d h PHE 9 Ca 0.30 -0.22 0.07 0.00 2.80 0.00 0.00 57.97 60.92 3h2d h PHE 9 Cb 0.45 -0.07 -0.07 0.00 2.20 0.00 0.00 35.95 38.46 3h2d h PHE 9 CO -0.00 0.97 -0.23 1.25 -0.60 0.00 0.00 178.31 179.70 3h2d h LEU 10 N -0.16 -0.75 -0.63 1.54 5.85 -0.69 -0.73 115.31 119.75 3h2d h LEU 10 Ca -0.03 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 3h2d h LEU 10 Cb 1.02 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 3h2d h LEU 10 CO 0.07 -0.26 0.22 1.56 -0.34 0.00 0.00 178.44 179.69 3h2d h GLN 11 N -0.21 0.97 -0.57 1.25 4.20 -0.85 -1.18 115.11 118.72 3h2d h GLN 11 Ca 0.15 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 3h2d h GLN 11 Cb 0.45 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3h2d h GLN 11 CO -0.41 0.84 0.02 0.77 -0.67 0.00 0.00 178.83 179.38 3h2d h SER 12 N 0.90 0.97 -0.42 1.46 0.02 -1.12 0.30 113.55 115.66 3h2d h SER 12 Ca 0.21 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 3h2d h SER 12 Cb 0.26 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3h2d h SER 12 CO -0.01 1.03 0.10 0.25 -1.14 0.00 0.00 176.83 177.06 3h2d h LEU 13 N 0.88 0.63 -0.95 5.07 5.85 -0.91 -2.17 115.31 123.72 3h2d h LEU 13 Ca 0.16 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 3h2d h LEU 13 Cb 0.52 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3h2d h LEU 13 CO 0.03 0.70 0.02 -0.07 -0.34 0.00 0.00 178.44 178.77 3h2d h LEU 14 N 0.54 0.75 -0.30 2.25 3.38 -0.95 -0.55 115.31 120.44 3h2d h LEU 14 Ca 0.13 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.98 3h2d h LEU 14 Cb 0.32 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3h2d h LEU 14 CO 0.00 0.81 -0.03 0.78 0.09 0.00 0.00 178.44 180.09 3h2d h ASN 15 N 0.74 -0.19 0.15 -0.43 2.35 -0.67 0.30 115.58 117.84 3h2d h ASN 15 Ca 0.15 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 3h2d h ASN 15 Cb 0.42 0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.94 3h2d h ASN 15 CO 0.02 -0.06 -0.07 0.58 -1.65 0.00 0.00 177.43 176.24 3h2d h VAL 16 N 0.05 0.98 -0.00 2.81 2.07 -0.84 -2.84 116.25 118.48 3h2d h VAL 16 Ca 0.14 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 3h2d h VAL 16 Cb 0.20 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3h2d h VAL 16 CO -0.27 0.15 -0.09 0.40 0.02 0.00 0.00 177.57 177.78 3h2d h ILE 17 N -0.53 1.58 -0.24 4.57 1.08 -1.11 -1.39 117.51 121.47 3h2d h ILE 17 Ca -0.02 -1.85 -0.19 0.00 -0.39 0.00 0.00 64.86 62.41 3h2d h ILE 17 Cb 0.41 2.80 0.00 0.00 -3.07 0.00 0.00 36.82 36.96 3h2d h ILE 17 CO 0.03 0.49 -0.58 0.28 -0.69 0.00 0.00 178.15 177.68 3h2d h SER 18 N -0.66 0.92 -0.33 1.72 0.02 -0.91 -1.49 113.55 112.82 3h2d h SER 18 Ca -0.01 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 3h2d h SER 18 Cb 0.85 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3h2d h SER 18 CO 0.02 1.32 0.00 0.35 -1.14 0.00 0.00 176.83 177.38 3h2d n THR 19 N -4.03 0.88 0.00 -2.27 -2.24 -1.07 -2.87 114.28 102.68 3h2d n THR 19 Ca -0.05 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 3h2d n THR 19 Cb 0.64 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 3h2d n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h2d n ALA 21 N 0.47 0.00 -4.48 6.98 0.00 -0.52 -4.83 120.51 118.12 3h2d n ALA 21 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.17 3h2d n ALA 21 Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.86 3h2d n ALA 21 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3h2d n SER 22 N 0.00 -1.33 -3.92 0.00 7.64 -0.79 -4.75 113.62 110.46 3h2d n SER 22 Ca 0.00 -1.24 -0.29 0.00 1.01 0.00 0.00 58.87 58.35 3h2d n SER 22 Cb 0.00 -1.58 -0.16 0.00 -1.01 0.00 0.00 64.21 61.46 3h2d n SER 22 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3h2d s LEU 23 N -7.21 1.79 -0.51 -3.43 0.20 -0.63 -4.98 118.68 103.92 3h2d s LEU 23 Ca 0.69 -0.72 -0.26 0.00 0.69 0.00 0.00 54.13 54.53 3h2d s LEU 23 Cb -0.40 -1.01 0.03 0.00 -0.43 0.00 0.00 46.19 44.38 3h2d s LEU 23 CO 1.01 -0.17 1.02 -1.61 -0.29 0.00 0.00 176.35 176.31 3h2d s GLU 24 N 1.56 3.52 0.01 1.98 0.41 -1.26 -3.28 118.70 121.64 3h2d s GLU 24 Ca 0.00 0.15 -0.23 0.00 -0.41 0.00 0.00 54.97 54.49 3h2d s GLU 24 Cb -0.15 -3.97 -0.05 0.00 -1.78 0.00 0.00 34.13 28.18 3h2d s GLU 24 CO -0.08 -1.40 0.69 -0.51 -0.49 0.00 0.00 175.26 173.47 3h2d s LEU 25 N 4.15 4.42 -0.30 1.80 1.43 -1.26 -4.75 118.68 124.17 3h2d s LEU 25 Ca 0.39 1.30 -0.10 0.00 -1.03 0.00 0.00 54.13 54.69 3h2d s LEU 25 Cb -0.10 -3.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 3h2d s LEU 25 CO 0.26 0.04 0.15 -0.89 0.23 0.00 0.00 176.35 176.13 3h2d s THR 26 N -0.01 4.66 0.46 5.49 2.01 0.22 -4.85 115.64 123.62 3h2d s THR 26 Ca 0.35 -0.34 -0.22 0.00 0.31 0.00 0.00 61.69 61.79 3h2d s THR 26 Cb -0.19 -3.35 -0.08 0.00 0.01 0.00 0.00 72.50 68.90 3h2d s THR 26 CO 0.20 0.11 1.11 -2.16 -0.69 0.00 0.00 174.62 173.18 3h2d s PRO 27 N 1.63 3.82 0.00 4.92 0.04 -1.26 -0.17 135.00 143.98 3h2d s PRO 27 Ca 0.05 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.71 3h2d s PRO 27 Cb -0.17 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.04 3h2d s PRO 27 CO 0.07 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.05 3h2d n GLY 28 N 0.27 0.59 3.78 0.56 0.00 0.12 -4.90 105.19 105.61 3h2d n GLY 28 Ca 0.08 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 3h2d n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h2d s LYS 29 N -0.40 4.12 0.29 1.61 3.01 -1.26 -4.80 119.74 122.31 3h2d s LYS 29 Ca 0.00 0.40 -0.30 0.00 -1.01 0.00 0.00 55.97 55.06 3h2d s LYS 29 Cb 0.00 -3.32 -0.11 0.00 -1.01 0.00 0.00 37.83 33.39 3h2d s LYS 29 CO 0.00 0.45 1.58 -2.14 0.51 0.00 0.00 175.35 175.74 3h2d s PRO 30 N -0.30 4.14 -0.01 -1.68 0.02 -1.26 -4.60 135.00 131.30 3h2d s PRO 30 Ca 0.24 2.55 0.06 0.00 0.02 0.00 0.00 61.00 63.86 3h2d s PRO 30 Cb -0.16 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.32 3h2d s PRO 30 CO 0.11 -0.61 -0.18 -0.65 -0.33 0.00 0.00 177.00 175.35 3h2d s GLN 31 N -0.52 1.42 0.09 5.54 -0.21 0.51 -4.96 119.66 121.53 3h2d s GLN 31 Ca 0.63 -0.65 -0.31 0.00 0.02 0.00 0.00 55.36 55.05 3h2d s GLN 31 Cb -0.47 -1.38 -0.09 0.00 1.00 0.00 0.00 33.01 32.07 3h2d s GLN 31 CO 0.48 0.38 1.62 0.42 -2.12 0.00 0.00 175.29 176.07 3h2d s ILE 32 N -0.44 2.98 0.22 1.08 1.01 -1.26 -0.80 121.20 124.00 3h2d s ILE 32 Ca 0.07 0.51 -0.32 0.00 0.00 0.00 0.00 60.65 60.91 3h2d s ILE 32 Cb -0.07 -3.33 -0.12 0.00 0.01 0.00 0.00 42.46 38.96 3h2d s ILE 32 CO -0.01 0.01 1.70 1.17 0.00 0.00 0.00 174.94 177.81 3h2d n LYS 33 N 5.23 2.76 -0.05 2.79 4.81 -0.32 -4.89 118.16 128.49 3h2d n LYS 33 Ca 0.15 0.99 0.00 0.00 -0.87 0.00 0.00 58.31 58.59 3h2d n LYS 33 Cb 0.40 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.62 3h2d n LYS 33 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3h2d n THR 34 N 3.62 0.00 -4.20 3.15 -2.24 -1.26 -4.95 114.28 108.40 3h2d n THR 34 Ca 0.15 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.81 3h2d n THR 34 Cb 0.35 0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 69.42 3h2d n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3h2d s ASP 35 N -0.10 1.33 -0.62 3.42 1.01 -1.26 -5.04 116.67 115.41 3h2d s ASP 35 Ca 0.00 -1.02 0.01 0.00 0.71 0.00 0.00 52.55 52.25 3h2d s ASP 35 Cb 0.00 0.07 0.41 0.00 1.01 0.00 0.00 42.92 44.41 3h2d s ASP 35 CO 0.00 -0.44 1.73 -0.46 0.21 0.00 0.00 175.17 176.22 3h2d n ASN 36 N -0.10 6.67 -0.56 0.27 2.04 -1.26 -4.76 115.26 117.56 3h2d n ASN 36 Ca -0.11 -3.79 0.08 0.00 -0.44 0.00 0.00 54.58 50.32 3h2d n ASN 36 Cb 0.61 -0.81 0.05 0.00 -2.53 0.00 0.00 39.78 37.09 3h2d n ASN 36 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3h2d n LEU 37 N -0.69 2.12 -4.10 -4.53 -0.00 -1.26 -4.76 117.00 103.78 3h2d n LEU 37 Ca 0.53 -0.93 -0.43 0.00 -0.00 0.00 0.00 56.01 55.18 3h2d n LEU 37 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 3h2d n LEU 37 CO 0.56 0.38 1.72 0.00 -0.00 0.00 0.00 177.39 180.05 3h2d n ALA 38 N 0.60 4.78 -1.84 1.47 0.00 -1.26 -4.97 120.51 119.29 3h2d n ALA 38 Ca 0.09 -4.30 -0.36 0.00 0.00 0.00 0.00 53.44 48.86 3h2d n ALA 38 Cb 0.38 -2.99 -0.06 0.00 0.00 0.00 0.00 19.45 16.77 3h2d n ALA 38 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h2d s LYS 39 N 0.75 4.48 0.00 0.00 1.02 -1.26 -4.51 119.74 120.22 3h2d s LYS 39 Ca 0.41 1.22 -0.00 0.00 0.02 0.00 0.00 55.97 57.62 3h2d s LYS 39 Cb 0.05 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 3h2d s LYS 39 CO 0.01 0.25 0.00 0.41 -0.92 0.00 0.00 175.35 175.10 3h2d n GLY 40 N 0.40 2.58 0.02 -3.33 0.00 -0.64 -4.78 105.19 99.44 3h2d n GLY 40 Ca 0.02 -1.20 -0.00 0.00 0.00 0.00 0.00 46.02 44.84 3h2d n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h2d n ASP 41 N -1.58 3.61 -3.81 1.61 8.00 -0.01 -0.96 116.55 123.41 3h2d n ASP 41 Ca -0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 3h2d n ASP 41 Cb 0.00 0.90 -0.13 0.00 -0.02 0.00 0.00 41.12 41.87 3h2d n ASP 41 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h2d s VAL 42 N -2.25 -0.01 0.00 2.53 0.11 -0.92 -1.57 120.40 118.29 3h2d s VAL 42 Ca -0.03 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3h2d s VAL 42 Cb 0.03 -0.23 -0.00 0.00 -1.53 0.00 0.00 36.38 34.64 3h2d s VAL 42 CO 0.24 0.01 -0.01 -0.44 -3.33 0.00 0.00 175.10 171.57 3h2d s SER 43 N 0.22 0.14 -0.22 3.54 0.01 -0.15 -0.91 113.70 116.33 3h2d s SER 43 Ca -0.01 -0.08 -0.09 0.00 1.31 0.00 0.00 55.95 57.08 3h2d s SER 43 Cb -0.02 0.00 -0.05 0.00 0.21 0.00 0.00 66.02 66.16 3h2d s SER 43 CO -0.01 -0.02 0.12 -0.83 0.41 0.00 0.00 173.24 172.91 3h2d s GLY 44 N -0.20 1.95 -0.01 3.44 0.00 0.14 -0.58 107.32 112.06 3h2d s GLY 44 Ca -0.02 -0.83 0.07 0.00 0.00 0.00 0.00 44.72 43.94 3h2d s GLY 44 CO -0.00 0.26 -0.21 1.08 0.00 0.00 0.00 173.10 174.23 3h2d s LEU 45 N 0.78 2.06 -0.15 0.66 1.02 -1.26 -0.49 118.68 121.29 3h2d s LEU 45 Ca 0.06 -0.40 -0.18 0.00 0.02 0.00 0.00 54.13 53.63 3h2d s LEU 45 Cb -0.13 -1.07 0.05 0.00 0.02 0.00 0.00 46.19 45.06 3h2d s LEU 45 CO 0.02 0.25 0.49 -0.51 0.02 0.00 0.00 176.35 176.61 3h2d s ILE 46 N -0.53 0.01 0.00 -0.59 2.07 -0.58 -4.39 121.20 117.19 3h2d s ILE 46 Ca 0.08 -0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 3h2d s ILE 46 Cb -0.08 -0.71 0.00 0.00 0.13 0.00 0.00 42.46 41.79 3h2d s ILE 46 CO -0.00 -0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.60 3h2d n GLY 47 N 2.38 0.81 0.00 1.50 0.00 -1.26 -1.43 105.19 107.19 3h2d n GLY 47 Ca -0.15 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.95 3h2d n GLY 47 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h2d n VAL 49 N -0.70 0.00 -4.42 1.61 0.31 0.36 -0.85 118.33 114.65 3h2d n VAL 49 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 3h2d n VAL 49 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 3h2d n VAL 49 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3h2d s GLY 50 N 0.00 2.24 0.21 2.92 0.00 0.62 -0.01 107.32 113.31 3h2d s GLY 50 Ca 0.00 -1.64 -0.09 0.00 0.00 0.00 0.00 44.72 43.00 3h2d s GLY 50 CO 0.00 -1.72 1.79 -2.55 0.00 0.00 0.00 173.10 170.62 3h2d h PRO 51 N 2.05 0.59 -0.54 2.90 0.11 -2.00 -2.93 132.00 132.19 3h2d h PRO 51 Ca -0.36 -0.04 -0.39 0.00 0.11 0.00 0.00 66.00 65.32 3h2d h PRO 51 Cb 1.26 -0.13 -0.33 0.00 0.11 0.00 0.00 31.00 31.90 3h2d h PRO 51 CO 0.57 0.39 -0.78 1.04 -0.21 0.00 0.00 178.00 179.01 3h2d n GLN 52 N -4.84 2.92 -3.57 1.05 3.00 -1.26 -5.04 117.38 109.63 3h2d n GLN 52 Ca 0.09 -3.87 -0.13 0.00 -0.01 0.00 0.00 57.00 53.08 3h2d n GLN 52 Cb 0.22 -2.02 -0.06 0.00 0.00 0.00 0.00 30.24 28.38 3h2d n GLN 52 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 3h2d s THR 53 N -4.11 0.00 0.00 5.09 -1.32 -1.11 -5.04 115.64 109.16 3h2d s THR 53 Ca 0.46 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.86 3h2d s THR 53 Cb 0.39 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.39 3h2d s THR 53 CO 0.00 0.00 0.15 -1.59 -2.21 0.00 0.00 174.62 170.97 3h2d s LYS 54 N -0.81 0.50 0.00 7.08 -2.85 -1.10 -0.27 119.74 122.29 3h2d s LYS 54 Ca -0.04 -0.38 0.00 0.00 -1.00 0.00 0.00 55.97 54.55 3h2d s LYS 54 Cb -0.01 0.21 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 3h2d s LYS 54 CO 0.03 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 175.78 3h2d n GLY 55 N 1.45 1.39 3.17 0.59 0.00 -1.26 -0.28 105.19 110.24 3h2d n GLY 55 Ca -0.23 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 3h2d n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h2d s SER 56 N 0.96 -0.17 -0.03 1.61 1.04 0.00 -4.53 113.70 112.57 3h2d s SER 56 Ca 0.00 0.21 0.04 0.00 0.48 0.00 0.00 55.95 56.67 3h2d s SER 56 Cb 0.00 0.39 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 3h2d s SER 56 CO 0.00 -0.27 -0.14 -0.22 0.98 0.00 0.00 173.24 173.59 3h2d s LEU 57 N -0.70 1.87 -0.02 2.42 2.96 -0.51 -1.13 118.68 123.57 3h2d s LEU 57 Ca -0.08 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.59 3h2d s LEU 57 Cb -0.04 -0.79 -0.01 0.00 0.50 0.00 0.00 46.19 45.84 3h2d s LEU 57 CO 0.02 0.12 -0.15 -0.94 -1.32 0.00 0.00 176.35 174.08 3h2d s SER 58 N 0.08 1.83 -0.16 3.68 1.04 -0.11 -1.52 113.70 118.54 3h2d s SER 58 Ca -0.03 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3h2d s SER 58 Cb -0.10 -0.28 0.03 0.00 0.10 0.00 0.00 66.02 65.76 3h2d s SER 58 CO 0.01 0.17 -0.13 -0.63 0.98 0.00 0.00 173.24 173.65 3h2d s ILE 59 N -0.24 1.56 -0.05 -1.02 1.01 0.35 -1.15 121.20 121.66 3h2d s ILE 59 Ca 0.03 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 60.04 3h2d s ILE 59 Cb -0.07 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 3h2d s ILE 59 CO -0.00 0.39 -0.23 -0.89 0.00 0.00 0.00 174.94 174.21 3h2d s THR 60 N 1.48 2.28 0.01 2.92 2.01 0.29 -0.68 115.64 123.95 3h2d s THR 60 Ca 0.04 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.09 3h2d s THR 60 Cb -0.13 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 3h2d s THR 60 CO -0.10 0.57 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.89 3h2d s PHE 61 N -0.30 1.31 0.56 4.92 0.40 -0.09 -0.90 117.98 123.88 3h2d s PHE 61 Ca 0.01 -0.30 -0.18 0.00 -0.60 0.00 0.00 56.93 55.87 3h2d s PHE 61 Cb -0.13 -0.81 -0.05 0.00 0.51 0.00 0.00 43.02 42.54 3h2d s PHE 61 CO 0.02 0.01 1.07 -1.21 0.70 0.00 0.00 175.22 175.81 3h2d s GLU 62 N -0.73 3.42 0.15 0.44 2.02 -0.80 -0.83 118.70 122.36 3h2d s GLU 62 Ca 0.04 1.33 -0.17 0.00 0.02 0.00 0.00 54.97 56.19 3h2d s GLU 62 Cb -0.07 -2.04 0.04 0.00 0.10 0.00 0.00 34.13 32.16 3h2d s GLU 62 CO 0.00 -0.75 1.74 0.37 0.02 0.00 0.00 175.26 176.65 3h2d h GLN 63 N 0.84 0.22 -0.45 1.61 4.15 -1.92 -1.82 115.11 117.74 3h2d h GLN 63 Ca -0.48 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 58.89 3h2d h GLN 63 Cb 1.23 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.85 3h2d h GLN 63 CO 0.57 0.14 0.12 -0.22 -1.93 0.00 0.00 178.83 177.51 3h2d h LYS 64 N 0.22 0.66 0.04 1.69 3.64 -1.94 -1.50 116.57 119.39 3h2d h LYS 64 Ca 0.15 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3h2d h LYS 64 Cb 0.13 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3h2d h LYS 64 CO -0.17 0.60 -0.02 1.25 -2.27 0.00 0.00 179.45 178.84 3h2d h LEU 65 N 0.65 -0.05 -0.96 5.20 5.85 -1.28 -1.52 115.31 123.21 3h2d h LEU 65 Ca 0.15 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 3h2d h LEU 65 Cb 0.23 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3h2d h LEU 65 CO -0.00 0.27 -0.02 1.62 -0.34 0.00 0.00 178.44 179.96 3h2d h VAL 66 N -0.37 1.24 -0.37 1.05 3.04 -1.16 -0.69 116.25 118.98 3h2d h VAL 66 Ca -0.01 -0.99 -0.07 0.00 -1.01 0.00 0.00 66.70 64.62 3h2d h VAL 66 Cb 0.34 0.92 -0.02 0.00 -2.01 0.00 0.00 31.29 30.52 3h2d h VAL 66 CO 0.01 0.35 -0.07 -0.07 -1.01 0.00 0.00 177.57 176.78 3h2d h LEU 67 N 0.68 0.60 -0.52 3.16 3.38 -1.26 -2.91 115.31 118.45 3h2d h LEU 67 Ca 0.13 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 3h2d h LEU 67 Cb 0.45 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3h2d h LEU 67 CO 0.02 0.72 -0.34 -0.61 0.09 0.00 0.00 178.44 178.32 3h2d h GLN 68 N 0.58 0.84 -0.40 1.13 5.75 -0.74 -0.60 115.11 121.68 3h2d h GLN 68 Ca 0.11 -0.41 0.00 0.00 -0.15 0.00 0.00 58.65 58.20 3h2d h GLN 68 Cb 0.47 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.02 3h2d h GLN 68 CO 0.02 1.05 0.00 -0.89 -2.65 0.00 0.00 178.83 176.36 3h2d n ILE 69 N -4.07 0.00 0.00 2.39 5.41 -0.31 -1.43 119.36 121.35 3h2d n ILE 69 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3h2d n ILE 69 Cb 0.51 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.34 3h2d n ILE 69 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 3h2d n GLN 71 N 0.57 0.00 0.00 0.38 -0.06 -0.23 -4.46 117.38 113.57 3h2d n GLN 71 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3h2d n GLN 71 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3h2d n GLN 71 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 3h2d n ASN 72 N 0.00 0.53 0.00 1.69 4.13 -0.51 -0.46 115.26 120.64 3h2d n ASN 72 Ca 0.00 -1.24 0.00 0.00 1.68 0.00 0.00 54.58 55.02 3h2d n ASN 72 Cb 0.00 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 37.98 3h2d n ASN 72 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3h2d n LEU 74 N 0.09 0.00 0.00 3.41 4.77 -1.26 -4.84 117.00 119.17 3h2d n LEU 74 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3h2d n LEU 74 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3h2d n LEU 74 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3h2d n GLY 75 N -0.29 0.50 3.74 -0.72 0.00 0.39 -5.01 105.19 103.80 3h2d n GLY 75 Ca 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 3h2d n GLY 75 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3h2d s GLU 76 N -1.08 1.67 -0.16 1.61 -1.05 -1.25 -4.98 118.70 113.46 3h2d s GLU 76 Ca 0.00 -1.02 -0.29 0.00 -0.15 0.00 0.00 54.97 53.52 3h2d s GLU 76 Cb 0.00 0.57 0.10 0.00 -0.44 0.00 0.00 34.13 34.36 3h2d s GLU 76 CO 0.00 -0.74 0.86 0.54 0.95 0.00 0.00 175.26 176.87 3h2d s ASN 77 N -2.93 -0.53 0.00 0.83 2.20 -1.26 -2.60 114.94 110.65 3h2d s ASN 77 Ca 0.13 0.74 0.18 0.00 -0.94 0.00 0.00 52.86 52.97 3h2d s ASN 77 Cb -0.04 0.65 0.78 0.00 -2.00 0.00 0.00 41.25 40.65 3h2d s ASN 77 CO 0.06 -0.38 1.54 -0.81 -2.94 0.00 0.00 177.10 174.57 3h2d n PRO 78 N 1.34 1.46 -1.01 3.55 -0.04 -1.26 -4.88 135.00 134.16 3h2d n PRO 78 Ca -0.14 -0.70 -0.00 0.00 -0.04 0.00 0.00 63.50 62.62 3h2d n PRO 78 Cb 0.57 -1.33 -0.00 0.00 -0.04 0.00 0.00 33.50 32.70 3h2d n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h2d n GLY 79 N 0.98 0.38 3.71 0.55 0.00 -1.26 -4.95 105.19 104.60 3h2d n GLY 79 Ca 0.14 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 3h2d n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h2d s LYS 80 N -0.66 1.41 -0.68 1.61 -2.85 -1.26 -5.11 119.74 112.20 3h2d s LYS 80 Ca 0.00 -0.72 -0.19 0.00 -1.00 0.00 0.00 55.97 54.06 3h2d s LYS 80 Cb 0.00 0.52 0.11 0.00 -2.06 0.00 0.00 37.83 36.40 3h2d s LYS 80 CO 0.00 -0.64 0.83 0.42 0.10 0.00 0.00 175.35 176.06 3h2d s ILE 81 N -3.61 4.79 0.00 3.79 1.01 -1.26 -4.88 121.20 121.04 3h2d s ILE 81 Ca 0.09 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.62 3h2d s ILE 81 Cb -0.03 -4.57 0.00 0.00 0.01 0.00 0.00 42.46 37.86 3h2d s ILE 81 CO 0.00 -1.24 0.00 -0.46 0.00 0.00 0.00 174.94 173.24 3h2d n ASN 82 N 6.40 1.05 -0.22 3.58 0.23 -1.26 -4.92 115.26 120.11 3h2d n ASN 82 Ca -0.01 -0.96 -0.01 0.00 -0.53 0.00 0.00 54.58 53.08 3h2d n ASN 82 Cb 0.44 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.35 3h2d n ASN 82 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3h2d h GLU 83 N 0.00 1.02 -0.44 -3.83 4.81 -1.99 -0.97 114.58 113.18 3h2d h GLU 83 Ca 0.00 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 3h2d h GLU 83 Cb 0.00 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3h2d h GLU 83 CO 0.00 0.72 0.06 0.93 -0.73 0.00 0.00 179.01 179.99 3h2d h GLU 84 N 1.03 0.68 -0.17 1.92 3.07 -1.97 -0.29 114.58 118.85 3h2d h GLU 84 Ca 0.27 -0.14 -0.04 0.00 -0.50 0.00 0.00 59.36 58.94 3h2d h GLU 84 Cb -0.02 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.79 3h2d h GLU 84 CO -0.05 0.66 -0.06 0.28 -1.40 0.00 0.00 179.01 178.44 3h2d h VAL 85 N 0.66 1.30 -0.62 3.13 2.07 -1.71 -2.46 116.25 118.62 3h2d h VAL 85 Ca 0.14 -1.07 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 3h2d h VAL 85 Cb 0.32 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 3h2d h VAL 85 CO 0.01 0.32 0.17 0.71 0.02 0.00 0.00 177.57 178.80 3h2d h THR 86 N 0.04 1.24 -0.56 2.57 1.35 -0.99 -1.35 112.91 115.21 3h2d h THR 86 Ca 0.04 -0.85 0.05 0.00 -0.55 0.00 0.00 66.41 65.11 3h2d h THR 86 Cb 0.52 0.58 -0.05 0.00 -1.73 0.00 0.00 68.15 67.48 3h2d h THR 86 CO 0.02 0.32 0.28 0.44 -0.25 0.00 0.00 175.52 176.34 3h2d h ASP 87 N 0.91 0.40 -0.53 5.36 3.32 -1.02 -0.78 116.42 124.08 3h2d h ASP 87 Ca 0.20 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 3h2d h ASP 87 Cb 0.30 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3h2d h ASP 87 CO -0.00 0.27 0.14 0.25 -1.72 0.00 0.00 179.24 178.17 3h2d h LEU 88 N 0.54 0.79 -1.11 1.55 5.85 -0.90 -1.41 115.31 120.63 3h2d h LEU 88 Ca 0.25 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3h2d h LEU 88 Cb 0.17 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3h2d h LEU 88 CO -0.18 0.81 0.59 0.58 -0.34 0.00 0.00 178.44 179.90 3h2d h VAL 89 N 0.74 1.23 -0.54 1.05 2.07 -1.01 0.82 116.25 120.60 3h2d h VAL 89 Ca 0.17 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.26 3h2d h VAL 89 Cb 0.32 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 3h2d h VAL 89 CO 0.00 0.23 0.35 1.23 0.02 0.00 0.00 177.57 179.39 3h2d h GLY 90 N 1.22 0.76 1.18 2.17 0.00 -0.63 0.93 103.07 108.70 3h2d h GLY 90 Ca 0.33 -0.27 -0.14 0.00 0.00 0.00 0.00 47.33 47.25 3h2d h GLY 90 CO -0.07 0.25 -0.26 0.83 0.00 0.00 0.00 176.54 177.29 3h2d h GLU 91 N 0.70 0.93 -0.60 4.80 4.39 -0.59 -1.02 114.58 123.19 3h2d h GLU 91 Ca 0.20 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.49 3h2d h GLU 91 Cb -0.05 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 3h2d h GLU 91 CO -0.06 1.08 0.39 0.82 -1.16 0.00 0.00 179.01 180.08 3h2d h ILE 92 N 0.79 1.16 -0.53 3.13 2.04 -0.66 -2.72 117.51 120.71 3h2d h ILE 92 Ca 0.09 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.68 3h2d h ILE 92 Cb 0.83 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3h2d h ILE 92 CO 0.07 0.15 0.32 0.74 0.00 0.00 0.00 178.15 179.44 3h2d h THR 93 N 0.81 1.06 0.00 -0.27 2.02 -0.46 -0.05 112.91 116.03 3h2d h THR 93 Ca 0.22 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3h2d h THR 93 Cb -0.08 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 3h2d h THR 93 CO -0.05 0.12 0.00 0.59 0.37 0.00 0.00 175.52 176.55 3h2d n ASN 94 N -4.78 0.20 0.00 4.18 3.02 -0.42 -1.56 115.26 115.90 3h2d n ASN 94 Ca 0.04 -0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 3h2d n ASN 94 Cb 0.07 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 3h2d n ASN 94 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3h2d n VAL 96 N 0.64 0.00 -0.13 2.41 0.31 -0.03 -0.50 118.33 121.03 3h2d n VAL 96 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 3h2d n VAL 96 Cb 0.04 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.95 3h2d n VAL 96 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3h2d h THR 97 N 0.00 1.28 -0.55 2.52 2.02 -1.53 -1.32 112.91 115.32 3h2d h THR 97 Ca 0.00 -1.43 -0.04 0.00 0.77 0.00 0.00 66.41 65.71 3h2d h THR 97 Cb 0.00 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 3h2d h THR 97 CO 0.00 0.48 0.18 1.23 0.37 0.00 0.00 175.52 177.79 3h2d h GLY 98 N 0.73 0.91 1.29 2.16 0.00 -1.01 0.76 103.07 107.90 3h2d h GLY 98 Ca 0.08 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 3h2d h GLY 98 CO 0.07 0.50 0.02 -1.33 0.00 0.00 0.00 176.54 175.80 3h2d h GLY 99 N 0.76 0.94 0.96 4.60 0.00 -1.77 -1.33 103.07 107.23 3h2d h GLY 99 Ca 0.18 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 3h2d h GLY 99 CO -0.01 0.58 0.06 0.00 0.00 0.00 0.00 176.54 177.17 3h2d h ALA 100 N 1.21 0.58 -0.50 3.60 0.00 -1.05 -0.92 119.26 122.18 3h2d h ALA 100 Ca 0.16 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3h2d h ALA 100 Cb 0.45 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3h2d h ALA 100 CO 0.02 0.31 0.16 -0.22 0.00 0.00 0.00 179.25 179.52 3h2d h LYS 101 N 0.59 0.32 0.38 0.00 3.64 -0.62 0.17 116.57 121.05 3h2d h LYS 101 Ca 0.13 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3h2d h LYS 101 Cb 0.40 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3h2d h LYS 101 CO 0.01 0.21 -0.19 -0.97 -2.27 0.00 0.00 179.45 176.24 3h2d h ASN 102 N 0.33 -0.47 -0.16 4.20 -1.24 -0.99 0.70 115.58 117.94 3h2d h ASN 102 Ca 0.24 0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.28 3h2d h ASN 102 Cb 0.27 0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 3h2d h ASN 102 CO -0.26 -0.32 0.06 -0.07 -1.29 0.00 0.00 177.43 175.55 3h2d h LEU 103 N -0.53 0.08 -1.04 0.34 3.38 -0.99 -2.27 115.31 114.29 3h2d h LEU 103 Ca -0.05 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3h2d h LEU 103 Cb 0.41 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3h2d h LEU 103 CO 0.07 0.07 0.33 -0.07 0.09 0.00 0.00 178.44 178.94 3h2d h LEU 104 N 0.15 0.92 -1.07 1.67 3.38 -0.69 -2.98 115.31 116.68 3h2d h LEU 104 Ca 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3h2d h LEU 104 Cb 0.03 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3h2d h LEU 104 CO -0.06 0.78 0.49 1.23 0.09 0.00 0.00 178.44 180.97 3h2d h GLY 105 N 1.07 1.21 2.00 0.83 0.00 -0.69 -0.87 103.07 106.62 3h2d h GLY 105 Ca 0.25 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3h2d h GLY 105 CO -0.03 0.49 -0.03 1.46 0.00 0.00 0.00 176.54 178.43 3h2d h GLN 106 N 1.15 0.00 -0.64 4.80 4.20 -1.26 -1.61 115.11 121.75 3h2d h GLN 106 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 3h2d h GLN 106 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3h2d h GLN 106 CO -0.05 0.03 0.00 1.63 -0.67 0.00 0.00 178.83 179.77 3h2d n LYS 107 N -3.88 3.94 -0.99 1.46 5.02 -0.47 -4.96 118.16 118.28 3h2d n LYS 107 Ca -0.03 -2.76 0.00 0.00 -2.02 0.00 0.00 58.31 53.50 3h2d n LYS 107 Cb 0.12 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 3h2d n LYS 107 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h2d n GLY 108 N 0.91 0.61 3.28 0.72 0.00 -0.60 -5.01 105.19 105.10 3h2d n GLY 108 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 3h2d n GLY 108 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h2d s TYR 109 N -2.46 3.33 -0.11 1.61 5.04 -0.46 -4.98 117.35 119.32 3h2d s TYR 109 Ca 0.00 -1.49 -0.16 0.00 -2.44 0.00 0.00 57.07 52.98 3h2d s TYR 109 Cb 0.00 -3.47 -0.05 0.00 0.35 0.00 0.00 41.96 38.79 3h2d s TYR 109 CO 0.00 -0.95 0.41 -1.21 -1.34 0.00 0.00 175.55 172.46 3h2d s GLU 110 N 1.49 4.23 0.13 4.97 8.01 -1.26 -3.09 118.70 133.18 3h2d s GLU 110 Ca 0.04 0.34 -0.16 0.00 0.01 0.00 0.00 54.97 55.21 3h2d s GLU 110 Cb -0.27 -3.39 0.03 0.00 -4.31 0.00 0.00 34.13 26.20 3h2d s GLU 110 CO 0.02 0.29 0.40 -0.59 0.01 0.00 0.00 175.26 175.39 3h2d s PHE 111 N 0.24 -0.17 0.00 1.61 -0.12 -1.26 -4.07 117.98 114.21 3h2d s PHE 111 Ca 0.23 -0.15 0.00 0.00 -0.05 0.00 0.00 56.93 56.96 3h2d s PHE 111 Cb -0.15 0.25 0.00 0.00 -0.63 0.00 0.00 43.02 42.49 3h2d s PHE 111 CO 0.09 -0.71 0.00 0.39 -0.05 0.00 0.00 175.22 174.94 3h2d n GLU 112 N -0.23 3.84 0.00 1.99 -0.58 0.98 -4.94 120.64 121.71 3h2d n GLU 112 Ca -0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 3h2d n GLU 112 Cb 0.64 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.51 3h2d n GLU 112 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h2d n ALA 114 N -3.00 0.00 -2.47 0.62 0.00 -0.03 -0.49 120.51 115.15 3h2d n ALA 114 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3h2d n ALA 114 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3h2d n ALA 114 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3h2d s THR 115 N 2.66 1.98 0.00 0.00 -4.23 -1.26 -4.90 115.64 109.89 3h2d s THR 115 Ca 0.00 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 3h2d s THR 115 Cb 0.00 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 72.05 3h2d s THR 115 CO 0.00 -0.03 0.00 -2.65 -0.54 0.00 0.00 174.62 171.40 3h2d n PRO 116 N 0.90 0.19 -3.58 3.99 -0.02 -1.26 -4.66 135.00 130.56 3h2d n PRO 116 Ca -0.18 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.28 3h2d n PRO 116 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.96 3h2d n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h2d s VAL 118 N -0.43 -0.18 -0.13 -1.45 1.01 -1.26 -4.98 120.40 112.98 3h2d s VAL 118 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 3h2d s VAL 118 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 3h2d s VAL 118 CO 0.00 0.00 0.22 -0.69 0.00 0.00 0.00 175.10 174.63 3h2d s VAL 119 N 1.73 5.36 -0.10 2.92 1.01 0.25 -4.94 120.40 126.62 3h2d s VAL 119 Ca -0.07 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3h2d s VAL 119 Cb -0.05 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.83 3h2d s VAL 119 CO -0.16 0.51 -0.08 -0.55 0.00 0.00 0.00 175.10 174.82 3h2d s SER 120 N -0.32 2.04 0.00 3.32 0.15 -1.26 -0.98 113.70 116.65 3h2d s SER 120 Ca 0.15 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.51 3h2d s SER 120 Cb -0.13 -0.82 0.00 0.00 -1.71 0.00 0.00 66.02 63.36 3h2d s SER 120 CO 0.04 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.00 3h2d n GLY 121 N 4.68 1.74 3.70 9.45 0.00 -0.61 -5.03 105.19 119.13 3h2d n GLY 121 Ca -0.15 0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3h2d n GLY 121 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h2d s GLN 122 N -0.03 4.22 -1.43 1.61 2.00 -1.26 -3.22 119.66 121.55 3h2d s GLN 122 Ca 0.00 2.31 -0.02 0.00 -2.00 0.00 0.00 55.36 55.64 3h2d s GLN 122 Cb 0.00 -3.39 0.00 0.00 0.80 0.00 0.00 33.01 30.42 3h2d s GLN 122 CO 0.00 -0.65 0.29 0.41 -0.50 0.00 0.00 175.29 174.83 3h2d n GLY 123 N 3.84 -0.36 3.88 2.59 0.00 -0.85 -4.97 105.19 109.33 3h2d n GLY 123 Ca 0.15 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3h2d n GLY 123 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3h2d s HIS 124 N -3.00 3.53 0.16 1.61 -3.43 -0.13 -4.71 115.29 109.32 3h2d s HIS 124 Ca 0.14 1.20 0.06 0.00 -0.80 0.00 0.00 55.06 55.66 3h2d s HIS 124 Cb -0.06 -2.82 -0.04 0.00 -1.43 0.00 0.00 32.58 28.22 3h2d s HIS 124 CO 0.18 -0.83 -0.13 0.95 -2.00 0.00 0.00 174.74 172.90 3h2d s THR 125 N -3.23 1.42 -0.06 -5.38 -4.23 -1.26 -1.61 115.64 101.29 3h2d s THR 125 Ca 0.56 -2.02 0.06 0.00 -1.18 0.00 0.00 61.69 59.10 3h2d s THR 125 Cb -0.11 -1.84 -0.01 0.00 1.34 0.00 0.00 72.50 71.89 3h2d s THR 125 CO 0.53 -0.60 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.13 3h2d s ILE 126 N -2.88 2.01 -0.15 2.99 -1.09 -1.26 -5.07 121.20 115.74 3h2d s ILE 126 Ca 0.17 -1.04 0.01 0.00 -2.23 0.00 0.00 60.65 57.56 3h2d s ILE 126 Cb -0.01 -1.70 0.02 0.00 -1.58 0.00 0.00 42.46 39.19 3h2d s ILE 126 CO 0.03 0.56 -0.18 -0.55 -1.23 0.00 0.00 174.94 173.57 3h2d s SER 127 N -0.10 2.92 -0.09 3.58 0.15 -1.26 -5.00 113.70 113.90 3h2d s SER 127 Ca -0.05 -0.57 -0.22 0.00 0.70 0.00 0.00 55.95 55.82 3h2d s SER 127 Cb -0.14 -1.34 -0.04 0.00 -1.71 0.00 0.00 66.02 62.79 3h2d s SER 127 CO 0.04 0.01 0.63 -1.00 1.20 0.00 0.00 173.24 174.11 3h2d s HIS 128 N 1.20 3.55 -1.95 3.44 3.76 -1.26 -4.99 115.29 119.04 3h2d s HIS 128 Ca 0.01 1.12 0.17 0.00 -0.15 0.00 0.00 55.06 56.21 3h2d s HIS 128 Cb -0.14 -2.73 0.22 0.00 1.11 0.00 0.00 32.58 31.04 3h2d s HIS 128 CO -0.08 0.10 1.13 1.63 -0.85 0.00 0.00 174.74 176.66 3h2d n LYS 129 N 3.82 1.73 -1.40 1.40 4.76 -1.26 -5.00 118.16 122.22 3h2d n LYS 129 Ca -0.03 -1.73 -0.37 0.00 -2.87 0.00 0.00 58.31 53.31 3h2d n LYS 129 Cb 0.51 -1.35 0.06 0.00 -1.84 0.00 0.00 35.03 32.41 3h2d n LYS 129 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h2d n ALA 130 N 0.98 -1.04 -2.96 7.82 0.00 -1.26 -4.87 120.51 119.18 3h2d n ALA 130 Ca 0.12 -0.12 -0.44 0.00 0.00 0.00 0.00 53.44 52.99 3h2d n ALA 130 Cb 0.45 -1.90 -0.00 0.00 0.00 0.00 0.00 19.45 18.00 3h2d n ALA 130 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3h2d s ASN 131 N -1.35 7.02 0.03 0.00 2.47 -1.26 -4.87 114.94 116.98 3h2d s ASN 131 Ca 0.69 -2.88 -0.07 0.00 0.42 0.00 0.00 52.86 51.02 3h2d s ASN 131 Cb -0.39 -2.39 0.03 0.00 -1.45 0.00 0.00 41.25 37.04 3h2d s ASN 131 CO 0.54 -0.78 0.35 0.61 -3.72 0.00 0.00 177.10 174.10 3h2d n GLY 132 N 4.27 0.88 3.75 1.21 0.00 -1.26 -4.53 105.19 109.50 3h2d n GLY 132 Ca 0.34 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 3h2d n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h2d s THR 133 N -2.31 3.65 -0.24 2.61 2.01 -1.25 -4.87 115.64 115.24 3h2d s THR 133 Ca 0.08 1.50 -0.08 0.00 0.31 0.00 0.00 61.69 63.50 3h2d s THR 133 Cb -0.01 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 3h2d s THR 133 CO 0.01 0.29 0.09 -0.54 -0.69 0.00 0.00 174.62 173.78 3h2d s LYS 134 N -0.75 3.77 -0.18 4.92 3.01 -1.26 -3.82 119.74 125.42 3h2d s LYS 134 Ca 0.48 -0.42 -0.02 0.00 -1.01 0.00 0.00 55.97 55.00 3h2d s LYS 134 Cb -0.31 -3.36 -0.01 0.00 -1.01 0.00 0.00 37.83 33.14 3h2d s LYS 134 CO 0.38 -0.10 -0.09 0.42 0.51 0.00 0.00 175.35 176.46 3h2d s ILE 135 N 1.41 3.14 0.26 2.17 1.01 -0.29 -1.18 121.20 127.73 3h2d s ILE 135 Ca 0.06 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.13 3h2d s ILE 135 Cb -0.15 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 3h2d s ILE 135 CO 0.05 0.48 0.06 0.00 0.00 0.00 0.00 174.94 175.53 3h2d n ILE 136 N 4.23 0.00 -4.30 2.92 3.06 0.02 -1.22 119.36 124.07 3h2d n ILE 136 Ca -0.18 -1.44 -0.19 0.00 -2.50 0.00 0.00 62.75 58.44 3h2d n ILE 136 Cb 0.52 0.45 -0.11 0.00 0.54 0.00 0.00 39.64 41.04 3h2d n ILE 136 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 3h2d s PRO 138 N -2.99 1.19 -0.02 9.51 0.04 -1.26 -0.36 135.00 141.12 3h2d s PRO 138 Ca 0.09 -1.42 0.03 0.00 0.04 0.00 0.00 61.00 59.74 3h2d s PRO 138 Cb 0.00 -1.06 -0.00 0.00 0.04 0.00 0.00 34.50 33.48 3h2d s PRO 138 CO 0.06 0.19 -0.10 -0.06 0.04 0.00 0.00 177.00 177.14 3h2d s PHE 139 N -2.50 0.96 0.23 0.56 0.40 0.60 0.11 117.98 118.34 3h2d s PHE 139 Ca 0.16 -0.22 0.10 0.00 -0.60 0.00 0.00 56.93 56.37 3h2d s PHE 139 Cb -0.03 -0.66 -0.04 0.00 0.51 0.00 0.00 43.02 42.80 3h2d s PHE 139 CO 0.05 -0.06 -0.10 0.95 0.70 0.00 0.00 175.22 176.76 3h2d s THR 140 N -0.01 3.08 -0.19 0.64 -4.23 0.76 -1.19 115.64 114.51 3h2d s THR 140 Ca 0.00 -1.90 -0.36 0.00 -1.18 0.00 0.00 61.69 58.25 3h2d s THR 140 Cb -0.07 -2.58 0.15 0.00 1.34 0.00 0.00 72.50 71.35 3h2d s THR 140 CO 0.00 -0.25 1.42 -0.94 -0.54 0.00 0.00 174.62 174.31 3h2d s SER 141 N -3.20 -0.01 0.50 3.99 1.04 -1.15 -0.61 113.70 114.27 3h2d s SER 141 Ca 0.27 -0.00 0.28 0.00 0.48 0.00 0.00 55.95 56.98 3h2d s SER 141 Cb -0.07 0.01 1.24 0.00 0.10 0.00 0.00 66.02 67.30 3h2d s SER 141 CO 0.16 -0.02 1.96 0.77 0.98 0.00 0.00 173.24 177.09 3h2d h SER 142 N 2.00 0.00 1.22 7.02 4.64 -2.00 -2.16 113.55 124.27 3h2d h SER 142 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3h2d h SER 142 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3h2d h SER 142 CO 0.25 0.13 -0.01 -1.22 -0.87 0.00 0.00 176.83 175.10 3h2d n TYR 143 N -3.35 0.45 0.00 4.77 4.01 -1.26 -5.02 117.16 116.75 3h2d n TYR 143 Ca -0.00 0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3h2d n TYR 143 Cb 0.33 -0.71 0.00 0.00 -0.31 0.00 0.00 39.34 38.65 3h2d n TYR 143 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h2d n GLY 144 N 1.41 0.57 3.58 2.72 0.00 -0.81 -2.75 105.19 109.91 3h2d n GLY 144 Ca 0.06 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.60 3h2d n GLY 144 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h2d s THR 145 N -0.81 3.48 0.22 2.61 2.01 -1.26 -2.91 115.64 118.97 3h2d s THR 145 Ca 0.00 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.09 3h2d s THR 145 Cb 0.00 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 3h2d s THR 145 CO 0.00 0.30 -0.09 0.00 -0.69 0.00 0.00 174.62 174.13 3h2d s ALA 146 N -1.06 1.97 -0.00 7.40 0.00 -0.33 -1.90 121.76 127.83 3h2d s ALA 146 Ca 0.18 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.44 3h2d s ALA 146 Cb -0.11 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.11 3h2d s ALA 146 CO 0.09 -0.04 -0.00 -0.06 0.00 0.00 0.00 175.76 175.75 3h2d s PHE 147 N -3.11 0.07 -0.12 0.00 0.40 -0.08 -0.29 117.98 114.85 3h2d s PHE 147 Ca 0.24 -0.00 -0.02 0.00 -0.60 0.00 0.00 56.93 56.55 3h2d s PHE 147 Cb 0.02 -0.07 -0.03 0.00 0.51 0.00 0.00 43.02 43.45 3h2d s PHE 147 CO 0.07 -0.01 -0.03 0.42 0.70 0.00 0.00 175.22 176.37 3h2d s ILE 148 N 0.10 4.00 -0.06 0.64 1.01 -1.26 -0.54 121.20 125.09 3h2d s ILE 148 Ca -0.01 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.33 3h2d s ILE 148 Cb -0.02 -2.71 0.00 0.00 0.01 0.00 0.00 42.46 39.75 3h2d s ILE 148 CO -0.00 0.54 -0.15 -0.70 0.00 0.00 0.00 174.94 174.63 3h2d s GLU 149 N -0.22 1.80 0.06 2.79 2.12 -0.30 -4.35 118.70 120.61 3h2d s GLU 149 Ca 0.04 -0.53 0.07 0.00 0.36 0.00 0.00 54.97 54.92 3h2d s GLU 149 Cb -0.13 -1.51 -0.03 0.00 0.26 0.00 0.00 34.13 32.72 3h2d s GLU 149 CO 0.02 0.14 -0.20 0.14 -0.54 0.00 0.00 175.26 174.82 3h2d s VAL 150 N 0.34 1.65 -0.06 3.70 -7.23 -0.36 -0.93 120.40 117.52 3h2d s VAL 150 Ca -0.10 -1.31 -0.04 0.00 -1.81 0.00 0.00 61.98 58.72 3h2d s VAL 150 Cb -0.14 -1.46 0.03 0.00 0.56 0.00 0.00 36.38 35.37 3h2d s VAL 150 CO 0.03 0.10 0.14 0.00 -0.31 0.00 0.00 175.10 175.06 3h2d s PHE 152 N 0.63 0.71 -2.71 0.00 0.08 -1.25 -0.82 117.98 114.63 3h2d s PHE 152 Ca -0.05 -0.19 0.26 0.00 0.12 0.00 0.00 56.93 57.08 3h2d s PHE 152 Cb -0.06 -0.45 0.68 0.00 -0.57 0.00 0.00 43.02 42.62 3h2d s PHE 152 CO -0.03 -0.02 1.54 0.39 -0.10 0.00 0.00 175.22 177.00