#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5p s GLU 2 N 0.00 0.08 -0.31 1.61 2.02 -1.26 -5.23 118.70 115.62 3d5p s GLU 2 Ca 0.00 0.07 -0.22 0.00 0.02 0.00 0.00 54.97 54.84 3d5p s GLU 2 Cb 0.00 0.04 -0.00 0.00 0.10 0.00 0.00 34.13 34.27 3d5p s GLU 2 CO 0.00 -0.02 0.73 0.08 0.02 0.00 0.00 175.26 176.07 3d5p s VAL 3 N -0.26 4.85 -0.46 2.63 1.01 -1.26 -5.01 120.40 121.89 3d5p s VAL 3 Ca 0.07 1.06 -0.10 0.00 0.00 0.00 0.00 61.98 63.02 3d5p s VAL 3 Cb -0.04 -4.09 0.11 0.00 0.00 0.00 0.00 36.38 32.36 3d5p s VAL 3 CO -0.13 -0.21 0.34 -0.63 0.00 0.00 0.00 175.10 174.47 3d5p s ILE 4 N 2.82 4.29 -0.31 2.22 -1.09 -1.26 -5.06 121.20 122.82 3d5p s ILE 4 Ca 0.30 -1.68 -0.16 0.00 -2.23 0.00 0.00 60.65 56.88 3d5p s ILE 4 Cb -0.14 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 3d5p s ILE 4 CO 0.12 -0.72 0.42 -0.70 -1.23 0.00 0.00 174.94 172.83 3d5p s GLU 5 N 1.39 3.80 -0.12 2.79 2.12 -1.26 -5.03 118.70 122.39 3d5p s GLU 5 Ca 0.05 -0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.28 3d5p s GLU 5 Cb -0.26 -3.74 0.02 0.00 0.26 0.00 0.00 34.13 30.42 3d5p s GLU 5 CO 0.00 -0.45 -0.12 0.45 -0.54 0.00 0.00 175.26 174.61 3d5p s SER 6 N 1.69 2.34 -0.05 -1.70 0.15 -1.26 -4.59 113.70 110.28 3d5p s SER 6 Ca 0.16 -0.38 0.04 0.00 0.70 0.00 0.00 55.95 56.46 3d5p s SER 6 Cb -0.16 -0.99 0.00 0.00 -1.71 0.00 0.00 66.02 63.16 3d5p s SER 6 CO 0.11 -0.06 -0.15 -0.54 1.20 0.00 0.00 173.24 173.80 3d5p s LYS 7 N 1.39 1.73 -0.13 5.44 1.02 -0.17 -4.98 119.74 124.04 3d5p s LYS 7 Ca 0.01 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 55.47 3d5p s LYS 7 Cb -0.13 -1.48 0.01 0.00 -0.52 0.00 0.00 37.83 35.71 3d5p s LYS 7 CO -0.06 0.18 -0.19 -0.46 -0.92 0.00 0.00 175.35 173.89 3d5p s TRP 8 N 0.20 2.39 -0.80 3.18 -0.11 -1.26 -0.86 118.94 121.68 3d5p s TRP 8 Ca -0.07 -1.19 -0.19 0.00 1.22 0.00 0.00 56.10 55.88 3d5p s TRP 8 Cb -0.12 -1.66 0.12 0.00 -1.50 0.00 0.00 33.47 30.31 3d5p s TRP 8 CO 0.03 -0.56 0.98 0.71 -4.62 0.00 0.00 176.95 173.48 3d5p s TYR 9 N 0.89 3.07 0.10 5.86 2.02 0.21 -5.00 117.35 124.51 3d5p s TYR 9 Ca -0.07 -1.20 -0.30 0.00 -0.37 0.00 0.00 57.07 55.14 3d5p s TYR 9 Cb -0.15 -4.19 -0.06 0.00 -0.40 0.00 0.00 41.96 37.16 3d5p s TYR 9 CO -0.02 -1.44 0.97 0.21 -1.57 0.00 0.00 175.55 173.70 3d5p s LYS 10 N 2.72 4.68 0.37 -0.62 2.20 -1.26 -3.37 119.74 124.46 3d5p s LYS 10 Ca 0.25 1.46 0.07 0.00 -0.36 0.00 0.00 55.97 57.39 3d5p s LYS 10 Cb -0.11 -3.38 -0.00 0.00 -1.51 0.00 0.00 37.83 32.82 3d5p s LYS 10 CO -0.02 0.18 0.51 0.15 -0.36 0.00 0.00 175.35 175.81 3d5p s LYS 11 N 0.09 3.02 0.51 4.03 1.02 -1.26 -5.06 119.74 122.10 3d5p s LYS 11 Ca 0.48 -1.05 -0.22 0.00 0.02 0.00 0.00 55.97 55.20 3d5p s LYS 11 Cb -0.23 -2.79 -0.07 0.00 -0.52 0.00 0.00 37.83 34.22 3d5p s LYS 11 CO 0.30 -0.06 1.15 -0.25 -0.92 0.00 0.00 175.35 175.57 3d5p n ASP 12 N -1.74 1.81 -4.74 2.83 8.00 -1.26 -3.92 116.55 117.53 3d5p n ASP 12 Ca 0.02 0.96 -0.36 0.00 0.71 0.00 0.00 54.79 56.13 3d5p n ASP 12 Cb 0.58 -1.46 0.06 0.00 -0.02 0.00 0.00 41.12 40.28 3d5p n ASP 12 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3d5p s GLY 13 N -0.90 2.68 0.37 0.44 0.00 -1.18 -1.23 107.32 107.49 3d5p s GLY 13 Ca 0.69 1.05 -0.27 0.00 0.00 0.00 0.00 44.72 46.19 3d5p s GLY 13 CO 0.52 1.46 1.26 0.00 0.00 0.00 0.00 173.10 176.33 3d5p s ALA 14 N -1.63 3.34 0.46 3.20 0.00 0.39 -4.69 121.76 122.83 3d5p s ALA 14 Ca 0.78 1.16 -0.24 0.00 0.00 0.00 0.00 51.96 53.67 3d5p s ALA 14 Cb -0.33 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.27 3d5p s ALA 14 CO 0.39 -0.64 1.23 -1.54 0.00 0.00 0.00 175.76 175.20 3d5p s SER 15 N -0.74 6.08 0.41 0.00 1.04 -1.26 -4.59 113.70 114.64 3d5p s SER 15 Ca 0.53 2.46 0.07 0.00 0.48 0.00 0.00 55.95 59.49 3d5p s SER 15 Cb -0.37 -2.62 0.86 0.00 0.10 0.00 0.00 66.02 64.00 3d5p s SER 15 CO 0.48 -0.99 2.06 0.77 0.98 0.00 0.00 173.24 176.53 3d5p h SER 16 N 2.15 0.47 -0.41 7.02 4.64 -1.98 -1.90 113.55 123.54 3d5p h SER 16 Ca -0.50 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 60.77 3d5p h SER 16 Cb 1.25 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 3d5p h SER 16 CO 0.60 0.34 0.11 0.00 -0.87 0.00 0.00 176.83 177.01 3d5p h ALA 17 N 1.74 1.30 -0.09 5.18 0.00 -1.99 -0.60 119.26 124.80 3d5p h ALA 17 Ca 0.15 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3d5p h ALA 17 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3d5p h ALA 17 CO -0.03 0.49 -0.43 0.66 0.00 0.00 0.00 179.25 179.94 3d5p h SER 18 N 0.70 0.22 -0.03 0.00 4.64 -1.72 0.47 113.55 117.83 3d5p h SER 18 Ca 0.16 -0.09 -0.19 0.00 -0.47 0.00 0.00 61.79 61.19 3d5p h SER 18 Cb 0.27 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3d5p h SER 18 CO -0.00 0.63 -0.74 0.40 -0.87 0.00 0.00 176.83 176.25 3d5p h ILE 19 N 0.18 1.36 -0.84 0.95 2.04 -1.24 -2.98 117.51 116.98 3d5p h ILE 19 Ca 0.01 -2.08 0.06 0.00 1.00 0.00 0.00 64.86 63.86 3d5p h ILE 19 Cb 0.84 2.41 -0.06 0.00 -0.74 0.00 0.00 36.82 39.26 3d5p h ILE 19 CO 0.07 0.63 0.51 0.44 0.00 0.00 0.00 178.15 179.79 3d5p h ASP 20 N 0.14 0.80 -0.90 1.72 3.32 -0.77 -1.52 116.42 119.21 3d5p h ASP 20 Ca -0.08 0.02 0.01 0.00 0.02 0.00 0.00 57.03 56.99 3d5p h ASP 20 Cb 1.41 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.78 3d5p h ASP 20 CO 0.15 0.50 0.59 0.44 -1.72 0.00 0.00 179.24 179.20 3d5p h ASP 21 N 0.93 1.04 -0.19 6.45 3.32 -0.80 0.32 116.42 127.49 3d5p h ASP 21 Ca 0.37 -0.03 -0.21 0.00 0.02 0.00 0.00 57.03 57.18 3d5p h ASP 21 Cb 0.19 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.49 3d5p h ASP 21 CO -0.18 0.76 -0.71 0.58 -1.72 0.00 0.00 179.24 177.98 3d5p h VAL 22 N 1.23 1.28 -0.79 -1.35 2.07 -1.21 -1.97 116.25 115.51 3d5p h VAL 22 Ca 0.33 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 3d5p h VAL 22 Cb -0.13 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3d5p h VAL 22 CO -0.07 0.61 0.46 -0.33 0.02 0.00 0.00 177.57 178.25 3d5p h GLU 23 N 0.56 1.08 -0.34 1.57 5.08 -0.81 0.09 114.58 121.83 3d5p h GLU 23 Ca -0.03 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3d5p h GLU 23 Cb 1.33 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3d5p h GLU 23 CO 0.15 0.78 0.04 0.87 -1.00 0.00 0.00 179.01 179.85 3d5p h LYS 24 N 1.10 0.56 -0.16 2.33 1.57 -0.85 0.13 116.57 121.25 3d5p h LYS 24 Ca 0.28 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3d5p h LYS 24 Cb -0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3d5p h LYS 24 CO -0.05 0.66 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.31 3d5p h LEU 25 N 0.39 0.23 0.00 2.94 3.38 -0.75 -2.39 115.31 119.11 3d5p h LEU 25 Ca 0.10 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3d5p h LEU 25 Cb 0.37 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3d5p h LEU 25 CO 0.01 0.37 -0.66 0.18 0.09 0.00 0.00 178.44 178.43 3d5p n LEU 26 N -4.29 0.61 -3.96 1.67 4.77 -0.04 -4.94 117.00 110.82 3d5p n LEU 26 Ca -0.01 -0.07 -0.29 0.00 -0.03 0.00 0.00 56.01 55.62 3d5p n LEU 26 Cb 0.25 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3d5p n LEU 26 CO 0.38 0.12 -0.06 -3.20 -1.33 0.00 0.00 177.39 173.30 3d5p n ASN 27 N -1.60 -2.45 -3.72 -1.43 5.15 0.40 -4.95 115.26 106.66 3d5p n ASN 27 Ca 0.05 -0.91 -0.10 0.00 -0.60 0.00 0.00 54.58 53.02 3d5p n ASN 27 Cb 0.35 -3.40 -0.03 0.00 -0.53 0.00 0.00 39.78 36.17 3d5p n ASN 27 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3d5p s THR 28 N -3.56 0.02 -0.10 -0.44 -1.32 -0.96 -5.05 115.64 104.22 3d5p s THR 28 Ca 0.37 -0.74 -0.06 0.00 -1.21 0.00 0.00 61.69 60.05 3d5p s THR 28 Cb -0.19 -1.58 -0.04 0.00 -1.51 0.00 0.00 72.50 69.18 3d5p s THR 28 CO 0.87 -0.09 0.13 0.42 -2.21 0.00 0.00 174.62 173.74 3d5p s THR 29 N -3.87 5.40 0.54 5.08 -4.23 -1.26 -4.53 115.64 112.77 3d5p s THR 29 Ca 0.09 0.13 -0.13 0.00 -1.18 0.00 0.00 61.69 60.59 3d5p s THR 29 Cb -0.02 -3.37 -0.06 0.00 1.34 0.00 0.00 72.50 70.39 3d5p s THR 29 CO -0.02 0.58 0.97 -0.76 -0.54 0.00 0.00 174.62 174.85 3d5p s LEU 30 N -1.13 3.51 0.34 4.79 1.43 -1.26 -4.99 118.68 121.38 3d5p s LEU 30 Ca 0.16 1.44 -0.29 0.00 -1.03 0.00 0.00 54.13 54.42 3d5p s LEU 30 Cb -0.12 -4.41 -0.12 0.00 0.03 0.00 0.00 46.19 41.57 3d5p s LEU 30 CO 0.06 -0.66 1.46 -2.65 0.23 0.00 0.00 176.35 174.79 3d5p n PRO 31 N -1.98 2.52 -0.26 1.29 -0.02 -1.26 -4.88 135.00 130.41 3d5p n PRO 31 Ca 0.06 0.89 -0.01 0.00 -2.02 0.00 0.00 63.50 62.42 3d5p n PRO 31 Cb 0.54 -2.59 0.11 0.00 -0.02 0.00 0.00 33.50 31.54 3d5p n PRO 31 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3d5p h LYS 32 N 3.38 0.76 -0.23 -0.52 1.63 -1.99 -1.95 116.57 117.65 3d5p h LYS 32 Ca -0.48 -0.05 -0.14 0.00 -0.85 0.00 0.00 60.65 59.13 3d5p h LYS 32 Cb 1.25 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.70 3d5p h LYS 32 CO 0.68 0.51 -0.43 1.96 -3.45 0.00 0.00 179.45 178.72 3d5p h GLN 33 N 0.79 0.57 -0.34 1.90 4.20 -1.99 -0.89 115.11 119.35 3d5p h GLN 33 Ca 0.33 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3d5p h GLN 33 Cb 0.18 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3d5p h GLN 33 CO -0.18 0.89 0.16 -0.92 -0.67 0.00 0.00 178.83 178.11 3d5p h TYR 34 N 0.46 0.50 -0.76 2.96 3.20 -1.85 -1.63 116.97 119.85 3d5p h TYR 34 Ca 0.03 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3d5p h TYR 34 Cb 0.94 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.02 3d5p h TYR 34 CO 0.04 0.44 0.43 0.87 -1.64 0.00 0.00 178.16 178.30 3d5p h LYS 35 N 0.41 1.05 -0.52 1.82 1.57 -1.11 -0.92 116.57 118.86 3d5p h LYS 35 Ca 0.12 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3d5p h LYS 35 Cb 0.14 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3d5p h LYS 35 CO -0.01 0.77 0.14 0.66 -0.57 0.00 0.00 179.45 180.44 3d5p h SER 36 N 1.05 0.72 -0.25 0.86 4.64 -0.99 -0.53 113.55 119.05 3d5p h SER 36 Ca 0.27 -0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.40 3d5p h SER 36 Cb 0.01 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 3d5p h SER 36 CO -0.05 0.70 -0.11 0.15 -0.87 0.00 0.00 176.83 176.66 3d5p h PHE 37 N 0.76 0.60 -0.74 4.77 3.57 -0.83 -2.89 116.94 122.18 3d5p h PHE 37 Ca 0.17 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3d5p h PHE 37 Cb 0.26 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 3d5p h PHE 37 CO 0.01 0.77 0.45 -0.07 -2.23 0.00 0.00 178.31 177.24 3d5p h LEU 38 N 0.25 0.89 -2.28 0.59 3.38 -0.74 0.22 115.31 117.61 3d5p h LEU 38 Ca 0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3d5p h LEU 38 Cb 0.61 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3d5p h LEU 38 CO 0.03 0.68 -0.05 -0.07 0.09 0.00 0.00 178.44 179.13 3d5p h LEU 39 N 1.02 0.00 0.05 1.67 3.38 -0.99 0.12 115.31 120.56 3d5p h LEU 39 Ca 0.27 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.00 3d5p h LEU 39 Cb -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3d5p h LEU 39 CO -0.05 0.05 -1.29 -0.25 0.09 0.00 0.00 178.44 176.99 3d5p h TRP 40 N 0.00 0.18 -3.08 1.13 7.01 -0.81 -3.35 115.95 117.03 3d5p h TRP 40 Ca -0.00 -0.13 -0.40 0.00 2.11 0.00 0.00 58.89 60.47 3d5p h TRP 40 Cb 0.16 -0.01 -0.39 0.00 -2.10 0.00 0.00 29.16 26.82 3d5p h TRP 40 CO 0.00 1.51 -0.72 0.45 -2.79 0.00 0.00 178.44 176.88 3d5p s SER 41 N -6.87 1.74 -1.38 2.65 0.15 0.59 -3.11 113.70 107.48 3d5p s SER 41 Ca -0.25 -0.28 -0.15 0.00 0.70 0.00 0.00 55.95 55.98 3d5p s SER 41 Cb 0.05 -0.10 0.07 0.00 -1.71 0.00 0.00 66.02 64.33 3d5p s SER 41 CO 0.67 -0.31 2.00 -3.20 1.20 0.00 0.00 173.24 173.60 3d5p n ASN 42 N 5.29 4.40 0.00 5.45 5.15 -0.37 -4.05 115.26 131.14 3d5p n ASN 42 Ca -0.05 -2.90 0.00 0.00 -0.60 0.00 0.00 54.58 51.03 3d5p n ASN 42 Cb 0.49 -1.66 0.00 0.00 -0.53 0.00 0.00 39.78 38.08 3d5p n ASN 42 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3d5p n GLY 43 N 4.36 0.47 0.00 8.20 0.00 -1.25 -4.07 105.19 112.90 3d5p n GLY 43 Ca 0.49 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3d5p n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5p n GLY 44 N 0.00 -1.25 3.34 -0.02 0.00 -0.86 -4.59 105.19 101.80 3d5p n GLY 44 Ca 0.00 -2.21 -0.10 0.00 0.00 0.00 0.00 46.02 43.72 3d5p n GLY 44 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3d5p s GLU 45 N -0.53 1.10 0.15 1.61 1.03 -1.22 -0.85 118.70 119.99 3d5p s GLU 45 Ca 0.00 -0.89 -0.24 0.00 0.03 0.00 0.00 54.97 53.87 3d5p s GLU 45 Cb 0.00 0.43 0.08 0.00 -0.80 0.00 0.00 34.13 33.84 3d5p s GLU 45 CO 0.00 -0.42 1.06 0.20 -1.33 0.00 0.00 175.26 174.77 3d5p s GLY 46 N -2.86 -0.04 -0.28 -3.83 0.00 -0.35 -0.61 107.32 99.35 3d5p s GLY 46 Ca 0.07 -0.10 0.03 0.00 0.00 0.00 0.00 44.72 44.72 3d5p s GLY 46 CO -0.08 1.84 -0.05 1.25 0.00 0.00 0.00 173.10 176.06 3d5p s LYS 47 N -2.46 1.86 -0.35 2.90 2.20 -0.04 -1.52 119.74 122.33 3d5p s LYS 47 Ca 0.19 -1.42 -0.09 0.00 -0.36 0.00 0.00 55.97 54.29 3d5p s LYS 47 Cb -0.01 -2.89 0.02 0.00 -1.51 0.00 0.00 37.83 33.44 3d5p s LYS 47 CO 0.03 -0.70 0.16 -0.51 -0.36 0.00 0.00 175.35 173.98 3d5p s LEU 48 N 1.12 4.45 0.00 5.43 1.43 0.08 -1.00 118.68 130.19 3d5p s LEU 48 Ca -0.02 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 3d5p s LEU 48 Cb -0.19 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.06 3d5p s LEU 48 CO -0.07 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 176.80 3d5p n GLY 49 N 4.94 3.53 0.48 -3.19 0.00 -1.23 -0.89 105.19 108.83 3d5p n GLY 49 Ca -0.12 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 45.98 3d5p n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d5p n ASP 50 N 4.88 1.48 -4.51 1.61 8.00 -1.26 -4.90 116.55 121.84 3d5p n ASP 50 Ca 0.00 -1.58 -0.39 0.00 0.71 0.00 0.00 54.79 53.53 3d5p n ASP 50 Cb 0.00 -0.05 -0.11 0.00 -0.02 0.00 0.00 41.12 40.94 3d5p n ASP 50 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3d5p s ASN 51 N -1.78 5.87 -0.10 -2.24 0.01 -0.07 -4.99 114.94 111.65 3d5p s ASN 51 Ca 0.35 -0.36 -0.29 0.00 -0.71 0.00 0.00 52.86 51.85 3d5p s ASN 51 Cb 0.19 -2.09 -0.01 0.00 0.41 0.00 0.00 41.25 39.75 3d5p s ASN 51 CO 0.30 -0.18 0.98 -0.31 -1.51 0.00 0.00 177.10 176.38 3d5p s TYR 52 N 1.70 3.52 -0.05 2.20 2.02 -1.26 -0.74 117.35 124.74 3d5p s TYR 52 Ca 0.06 1.57 0.01 0.00 -0.37 0.00 0.00 57.07 58.33 3d5p s TYR 52 Cb -0.17 -3.16 0.02 0.00 -0.40 0.00 0.00 41.96 38.26 3d5p s TYR 52 CO 0.09 -0.19 -0.05 0.42 -1.57 0.00 0.00 175.55 174.25 3d5p s ILE 53 N 1.88 0.59 -0.22 2.71 1.01 -0.58 -4.62 121.20 121.97 3d5p s ILE 53 Ca 0.48 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 61.00 3d5p s ILE 53 Cb -0.18 -0.62 0.04 0.00 0.01 0.00 0.00 42.46 41.70 3d5p s ILE 53 CO 0.19 0.25 -0.15 -0.31 0.00 0.00 0.00 174.94 174.92 3d5p s TYR 54 N 1.02 3.01 -0.12 3.97 1.51 -1.26 -1.21 117.35 124.27 3d5p s TYR 54 Ca -0.09 -1.89 -0.02 0.00 -1.01 0.00 0.00 57.07 54.05 3d5p s TYR 54 Cb -0.14 -1.94 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 3d5p s TYR 54 CO -0.00 -0.82 -0.02 0.42 -1.11 0.00 0.00 175.55 174.01 3d5p s ILE 55 N 1.22 4.06 0.35 2.71 1.01 -0.03 -4.29 121.20 126.25 3d5p s ILE 55 Ca -0.01 -0.32 -0.25 0.00 0.00 0.00 0.00 60.65 60.07 3d5p s ILE 55 Cb -0.16 -2.73 -0.10 0.00 0.01 0.00 0.00 42.46 39.48 3d5p s ILE 55 CO -0.09 0.55 0.97 0.26 0.00 0.00 0.00 174.94 176.63 3d5p s TRP 56 N -0.29 3.54 0.53 3.97 0.51 -0.67 -2.04 118.94 124.50 3d5p s TRP 56 Ca 0.05 1.73 -0.22 0.00 -2.12 0.00 0.00 56.10 55.55 3d5p s TRP 56 Cb -0.12 -2.96 -0.05 0.00 -0.81 0.00 0.00 33.47 29.52 3d5p s TRP 56 CO 0.02 -0.02 1.27 0.00 -0.51 0.00 0.00 176.95 177.72 3d5p s ALA 57 N -1.71 2.82 0.41 0.98 0.00 -1.26 -3.87 121.76 119.13 3d5p s ALA 57 Ca 0.53 1.16 0.07 0.00 0.00 0.00 0.00 51.96 53.73 3d5p s ALA 57 Cb -0.18 -3.49 0.86 0.00 0.00 0.00 0.00 23.12 20.30 3d5p s ALA 57 CO 0.23 -1.13 2.06 0.97 0.00 0.00 0.00 175.76 177.89 3d5p h ILE 58 N 1.47 1.10 0.00 0.00 6.09 -1.96 -0.24 117.51 123.97 3d5p h ILE 58 Ca -0.50 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 62.79 3d5p h ILE 58 Cb 1.28 0.49 0.00 0.00 0.47 0.00 0.00 36.82 39.06 3d5p h ILE 58 CO 0.58 0.10 0.00 -1.84 -3.07 0.00 0.00 178.15 173.92 3d5p n GLU 59 N -4.47 0.20 -0.00 2.19 0.00 -1.26 -2.65 120.64 114.65 3d5p n GLU 59 Ca 0.03 0.12 0.06 0.00 0.00 0.00 0.00 57.16 57.37 3d5p n GLU 59 Cb 0.06 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 29.93 3d5p n GLU 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3d5p n ASP 60 N -1.35 0.79 -0.23 -1.84 8.00 -0.12 -4.72 116.55 117.08 3d5p n ASP 60 Ca 0.08 -0.69 -0.06 0.00 0.71 0.00 0.00 54.79 54.82 3d5p n ASP 60 Cb 0.18 1.08 0.04 0.00 -0.02 0.00 0.00 41.12 42.40 3d5p n ASP 60 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3d5p h VAL 61 N 0.00 1.21 -0.42 2.53 2.07 -1.33 -1.26 116.25 119.04 3d5p h VAL 61 Ca 0.00 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 3d5p h VAL 61 Cb 0.34 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3d5p h VAL 61 CO 0.00 0.24 0.13 0.40 0.02 0.00 0.00 177.57 178.36 3d5p h ILE 62 N 0.88 1.22 -0.64 4.57 2.04 -1.85 -1.33 117.51 122.40 3d5p h ILE 62 Ca 0.22 -0.73 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 3d5p h ILE 62 Cb 0.09 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3d5p h ILE 62 CO -0.03 0.26 0.21 0.00 0.00 0.00 0.00 178.15 178.59 3d5p h ALA 63 N 0.98 0.84 -0.41 1.87 0.00 -1.81 -1.08 119.26 119.65 3d5p h ALA 63 Ca 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3d5p h ALA 63 Cb 0.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3d5p h ALA 63 CO -0.00 0.50 0.18 1.88 0.00 0.00 0.00 179.25 181.80 3d5p h TYR 64 N 0.92 0.61 -0.94 0.00 0.05 -1.11 -0.44 116.97 116.07 3d5p h TYR 64 Ca 0.21 -0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.96 3d5p h TYR 64 Cb 0.28 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 37.78 3d5p h TYR 64 CO 0.02 0.53 0.62 -0.91 -1.05 0.00 0.00 178.16 177.37 3d5p h ASN 65 N 0.52 1.06 -0.35 3.88 2.35 -0.98 -1.34 115.58 120.72 3d5p h ASN 65 Ca 0.14 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 3d5p h ASN 65 Cb 0.16 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3d5p h ASN 65 CO -0.01 0.75 -0.07 -0.74 -1.65 0.00 0.00 177.43 175.72 3d5p h HIS 66 N 1.24 0.74 -0.36 1.19 2.76 -0.97 -1.63 115.15 118.12 3d5p h HIS 66 Ca 0.35 -0.15 -0.10 0.00 -2.20 0.00 0.00 60.37 58.27 3d5p h HIS 66 Cb -0.10 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.66 3d5p h HIS 66 CO -0.00 0.81 -0.17 0.22 -1.30 0.00 0.00 177.93 177.49 3d5p h ASP 67 N 0.45 0.66 0.64 3.26 3.58 -0.68 -2.72 116.42 121.61 3d5p h ASP 67 Ca 0.09 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.33 3d5p h ASP 67 Cb 0.56 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.43 3d5p h ASP 67 CO 0.03 0.84 -0.32 -1.22 -2.88 0.00 0.00 179.24 175.69 3d5p n TYR 68 N -4.15 0.00 -2.64 0.28 4.01 -0.54 -4.94 117.16 109.19 3d5p n TYR 68 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.65 3d5p n TYR 68 Cb 0.39 -0.32 0.02 0.00 -0.31 0.00 0.00 39.34 39.11 3d5p n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d5p n GLY 69 N 1.49 0.20 0.14 2.72 0.00 -0.68 -4.94 105.19 104.10 3d5p n GLY 69 Ca 0.06 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 3d5p n GLY 69 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3d5p h ILE 70 N -0.68 1.20 -0.00 -0.61 1.08 -1.65 -1.29 117.51 115.57 3d5p h ILE 70 Ca -0.23 -0.66 -0.17 0.00 -0.39 0.00 0.00 64.86 63.41 3d5p h ILE 70 Cb 1.15 1.19 -0.02 0.00 -3.07 0.00 0.00 36.82 36.08 3d5p h ILE 70 CO 0.24 0.21 -0.81 1.56 -0.69 0.00 0.00 178.15 178.66 3d5p h GLN 71 N 0.21 0.06 -0.69 2.37 7.50 -1.80 0.13 115.11 122.88 3d5p h GLN 71 Ca 0.07 -0.06 -0.00 0.00 0.50 0.00 0.00 58.65 59.16 3d5p h GLN 71 Cb 0.26 0.02 -0.03 0.00 0.05 0.00 0.00 27.48 27.78 3d5p h GLN 71 CO -0.00 0.83 0.42 -0.22 -1.50 0.00 0.00 178.83 178.36 3d5p h LYS 72 N 0.03 0.93 0.00 1.46 3.64 -1.82 -3.27 116.57 117.55 3d5p h LYS 72 Ca -0.02 -0.08 -0.23 0.00 -1.27 0.00 0.00 60.65 59.05 3d5p h LYS 72 Cb 1.42 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 3d5p h LYS 72 CO 0.11 0.66 -2.03 0.66 -2.27 0.00 0.00 179.45 176.58 3d5p n TYR 73 N -4.56 0.30 0.00 1.91 4.01 -0.52 -4.86 117.16 113.44 3d5p n TYR 73 Ca 0.06 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 3d5p n TYR 73 Cb 0.05 -0.92 0.00 0.00 -0.31 0.00 0.00 39.34 38.16 3d5p n TYR 73 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3d5p n LEU 74 N -2.69 0.00 -3.78 7.72 4.77 0.43 -4.07 117.00 119.37 3d5p n LEU 74 Ca -0.20 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.69 3d5p n LEU 74 Cb 0.94 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.97 3d5p n LEU 74 CO 0.44 0.00 -0.01 -1.10 -1.33 0.00 0.00 177.39 175.39 3d5p s GLN 75 N 1.92 0.93 0.62 3.23 -0.21 -1.24 -4.83 119.66 120.07 3d5p s GLN 75 Ca 0.00 -0.88 0.28 0.00 0.02 0.00 0.00 55.36 54.78 3d5p s GLN 75 Cb 0.00 0.39 1.53 0.00 1.00 0.00 0.00 33.01 35.93 3d5p s GLN 75 CO 0.00 -0.32 1.85 1.57 -2.12 0.00 0.00 175.29 176.27 3d5p h LYS 76 N 2.61 0.00 -0.00 2.91 -0.00 -1.92 -2.03 116.57 118.14 3d5p h LYS 76 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.31 3d5p h LYS 76 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.45 3d5p h LYS 76 CO 0.53 0.00 -0.32 0.39 -0.00 0.00 0.00 179.45 180.05 3d5p n GLU 77 N -2.77 0.18 -4.50 0.07 4.71 -1.26 -4.81 120.64 112.25 3d5p n GLU 77 Ca -0.02 -0.08 -0.33 0.00 -0.01 0.00 0.00 57.16 56.71 3d5p n GLU 77 Cb 0.35 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 29.16 3d5p n GLU 77 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 3d5p s TYR 78 N -2.88 2.95 -0.05 -0.32 2.02 -0.76 -0.40 117.35 117.91 3d5p s TYR 78 Ca 0.15 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 3d5p s TYR 78 Cb 0.18 -1.93 0.02 0.00 -0.40 0.00 0.00 41.96 39.84 3d5p s TYR 78 CO 0.62 -0.11 -0.04 -1.58 -1.57 0.00 0.00 175.55 172.87 3d5p s TRP 79 N 0.40 0.79 0.30 2.71 0.52 -0.09 -4.61 118.94 118.95 3d5p s TRP 79 Ca -0.06 -0.23 -0.29 0.00 0.02 0.00 0.00 56.10 55.54 3d5p s TRP 79 Cb -0.15 -0.73 -0.09 0.00 -1.15 0.00 0.00 33.47 31.35 3d5p s TRP 79 CO 0.04 -0.24 1.07 0.00 0.02 0.00 0.00 176.95 177.84 3d5p s ALA 80 N 1.17 3.35 0.00 0.98 0.00 -1.26 -0.26 121.76 125.74 3d5p s ALA 80 Ca -0.07 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3d5p s ALA 80 Cb -0.14 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3d5p s ALA 80 CO -0.01 -0.13 0.12 1.97 0.00 0.00 0.00 175.76 177.70 3d5p n PHE 81 N 1.01 0.00 -3.70 0.00 1.16 0.00 -4.84 117.46 111.10 3d5p n PHE 81 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3d5p n PHE 81 Cb 0.46 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.33 3d5p n PHE 81 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3d5p n GLY 82 N 0.54 0.61 2.65 4.97 0.00 -1.17 -1.66 105.19 111.13 3d5p n GLY 82 Ca 0.00 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 3d5p n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3d5p s ASP 84 N -0.35 1.70 1.94 1.61 2.15 0.87 -0.84 116.67 123.75 3d5p s ASP 84 Ca 0.00 -1.85 0.00 0.00 0.43 0.00 0.00 52.55 51.13 3d5p s ASP 84 Cb 0.00 0.24 0.00 0.00 -0.30 0.00 0.00 42.92 42.86 3d5p s ASP 84 CO 0.00 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 3d5p n GLY 85 N 4.08 4.12 0.30 2.66 0.00 -1.26 -1.56 105.19 113.54 3d5p n GLY 85 Ca 0.13 0.07 0.19 0.00 0.00 0.00 0.00 46.02 46.40 3d5p n GLY 85 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3d5p h ASP 86 N 0.00 0.00 -3.30 1.61 3.32 -2.01 -3.44 116.42 112.60 3d5p h ASP 86 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3d5p h ASP 86 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 3d5p h ASP 86 CO 0.00 0.03 -0.07 -0.63 -1.72 0.00 0.00 179.24 176.84 3d5p s ILE 87 N -4.05 5.07 -0.09 0.35 -1.09 -0.60 -0.05 121.20 120.75 3d5p s ILE 87 Ca -0.03 1.10 -0.02 0.00 -2.23 0.00 0.00 60.65 59.48 3d5p s ILE 87 Cb 0.12 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 3d5p s ILE 87 CO 0.49 0.36 0.01 -0.83 -1.23 0.00 0.00 174.94 173.74 3d5p s GLY 88 N 0.26 1.86 -0.23 6.18 0.00 0.23 -0.09 107.32 115.53 3d5p s GLY 88 Ca 0.29 -0.80 -0.08 0.00 0.00 0.00 0.00 44.72 44.13 3d5p s GLY 88 CO 0.14 -0.56 0.09 -0.19 0.00 0.00 0.00 173.10 172.58 3d5p s TYR 89 N -0.88 3.17 0.03 1.90 2.02 -0.02 -1.08 117.35 122.48 3d5p s TYR 89 Ca 0.13 -0.15 0.07 0.00 -0.37 0.00 0.00 57.07 56.76 3d5p s TYR 89 Cb -0.11 -2.21 -0.02 0.00 -0.40 0.00 0.00 41.96 39.21 3d5p s TYR 89 CO 0.02 -0.15 -0.20 0.42 -1.57 0.00 0.00 175.55 174.07 3d5p s ILE 90 N 1.23 1.62 0.10 2.71 -1.09 -0.19 -0.82 121.20 124.77 3d5p s ILE 90 Ca 0.05 -1.12 0.07 0.00 -2.23 0.00 0.00 60.65 57.42 3d5p s ILE 90 Cb -0.14 -1.40 -0.04 0.00 -1.58 0.00 0.00 42.46 39.30 3d5p s ILE 90 CO 0.04 0.25 -0.08 -1.48 -1.23 0.00 0.00 174.94 172.44 3d5p s LEU 91 N -1.03 3.14 -0.28 2.97 0.05 0.65 -0.39 118.68 123.79 3d5p s LEU 91 Ca 0.07 -0.34 -0.09 0.00 0.05 0.00 0.00 54.13 53.83 3d5p s LEU 91 Cb -0.09 -1.92 -0.02 0.00 -2.05 0.00 0.00 46.19 42.11 3d5p s LEU 91 CO 0.01 0.18 0.12 -2.28 -0.55 0.00 0.00 176.35 173.82 3d5p s HIS 92 N -1.24 3.14 0.33 3.48 5.65 -0.13 -0.91 115.29 125.61 3d5p s HIS 92 Ca 0.22 -0.43 0.33 0.00 0.25 0.00 0.00 55.06 55.43 3d5p s HIS 92 Cb -0.11 -2.30 1.57 0.00 -1.18 0.00 0.00 32.58 30.56 3d5p s HIS 92 CO 0.15 -0.38 2.08 -0.07 -0.65 0.00 0.00 174.74 175.87 3d5p h LEU 93 N 8.30 0.00 0.00 8.88 3.38 -1.06 1.00 115.31 135.80 3d5p h LEU 93 Ca -0.35 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 3d5p h LEU 93 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3d5p h LEU 93 CO 0.59 0.07 -0.93 0.77 0.09 0.00 0.00 178.44 179.03 3d5p h SER 94 N 0.00 0.00 0.00 -0.43 4.64 -1.94 -3.38 113.55 112.45 3d5p h SER 94 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d5p h SER 94 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3d5p h SER 94 CO 0.01 0.35 0.00 -0.90 -0.87 0.00 0.00 176.83 175.42 3d5p n ASP 95 N -2.94 0.00 0.00 4.97 5.75 -1.14 -5.02 116.55 118.16 3d5p n ASP 95 Ca -0.03 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.75 3d5p n ASP 95 Cb 0.71 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.80 3d5p n ASP 95 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3d5p n ASN 96 N 0.00 0.00 -4.76 -1.12 3.02 0.33 -4.90 115.26 107.83 3d5p n ASN 96 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 3d5p n ASN 96 Cb 0.44 -0.50 0.10 0.00 -0.61 0.00 0.00 39.78 39.21 3d5p n ASN 96 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3d5p s SER 97 N -3.00 4.28 -0.05 6.41 1.04 -1.22 -3.89 113.70 117.27 3d5p s SER 97 Ca 0.00 1.71 0.06 0.00 0.48 0.00 0.00 55.95 58.20 3d5p s SER 97 Cb 0.00 -2.42 -0.01 0.00 0.10 0.00 0.00 66.02 63.69 3d5p s SER 97 CO 0.00 -2.16 -0.24 -0.63 0.98 0.00 0.00 173.24 171.19 3d5p s ILE 98 N -2.93 1.97 0.10 -1.02 -1.09 0.15 -0.96 121.20 117.42 3d5p s ILE 98 Ca 0.62 -1.02 0.04 0.00 -2.23 0.00 0.00 60.65 58.05 3d5p s ILE 98 Cb -0.17 -1.66 -0.04 0.00 -1.58 0.00 0.00 42.46 39.01 3d5p s ILE 98 CO 0.56 0.55 -0.11 -0.31 -1.23 0.00 0.00 174.94 174.40 3d5p s TYR 99 N -0.17 1.10 -0.04 3.97 1.51 0.47 -0.78 117.35 123.41 3d5p s TYR 99 Ca -0.03 -0.62 0.01 0.00 -1.01 0.00 0.00 57.07 55.42 3d5p s TYR 99 Cb -0.13 -0.60 -0.03 0.00 -0.11 0.00 0.00 41.96 41.09 3d5p s TYR 99 CO 0.03 0.02 -0.06 1.03 -1.11 0.00 0.00 175.55 175.46 3d5p s ARG 100 N -2.66 2.71 0.08 -0.62 0.52 0.41 -1.02 118.95 118.37 3d5p s ARG 100 Ca 0.05 -0.59 0.01 0.00 -0.52 0.00 0.00 55.73 54.67 3d5p s ARG 100 Cb -0.04 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.80 3d5p s ARG 100 CO 0.01 0.65 -0.05 0.14 0.02 0.00 0.00 175.30 176.06 3d5p s VAL 101 N -0.90 0.53 -0.37 3.52 -7.23 -0.24 -1.11 120.40 114.60 3d5p s VAL 101 Ca 0.15 -1.86 -0.20 0.00 -1.81 0.00 0.00 61.98 58.25 3d5p s VAL 101 Cb -0.11 -1.58 0.01 0.00 0.56 0.00 0.00 36.38 35.26 3d5p s VAL 101 CO 0.04 -0.89 0.64 -0.62 -0.31 0.00 0.00 175.10 173.95 3d5p s ASP 102 N -2.94 6.40 0.57 4.85 -1.08 -1.26 -0.60 116.67 122.61 3d5p s ASP 102 Ca 0.09 0.04 0.38 0.00 -0.52 0.00 0.00 52.55 52.54 3d5p s ASP 102 Cb 0.05 -2.32 1.94 0.00 -1.46 0.00 0.00 42.92 41.13 3d5p s ASP 102 CO -0.06 -0.64 2.15 -0.07 0.52 0.00 0.00 175.17 177.07 3d5p h LEU 103 N 9.45 0.00 -1.38 -1.34 3.38 -0.80 -0.52 115.31 124.11 3d5p h LEU 103 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3d5p h LEU 103 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3d5p h LEU 103 CO 0.85 0.00 -0.03 0.61 0.09 0.00 0.00 178.44 179.96 3d5p n GLY 104 N -0.79 0.42 2.58 0.83 0.00 -1.26 -4.40 105.19 102.57 3d5p n GLY 104 Ca -0.02 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 3d5p n GLY 104 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d5p n ASP 105 N 0.66 -1.59 -4.71 1.61 2.03 -0.22 -5.12 116.55 109.20 3d5p n ASP 105 Ca 0.16 -3.41 -0.42 0.00 0.52 0.00 0.00 54.79 51.64 3d5p n ASP 105 Cb 0.47 1.19 -0.03 0.00 -0.72 0.00 0.00 41.12 42.03 3d5p n ASP 105 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3d5p s LEU 106 N -1.94 4.35 -0.29 -2.67 1.43 -1.11 -4.59 118.68 113.87 3d5p s LEU 106 Ca 0.29 2.09 -0.14 0.00 -1.03 0.00 0.00 54.13 55.33 3d5p s LEU 106 Cb 0.28 -3.58 0.11 0.00 0.03 0.00 0.00 46.19 43.04 3d5p s LEU 106 CO -0.10 -0.56 0.75 -0.62 0.23 0.00 0.00 176.35 176.05 3d5p s ASP 107 N 1.23 -0.89 0.56 2.29 -1.08 -1.26 -4.93 116.67 112.59 3d5p s ASP 107 Ca 0.61 1.35 0.27 0.00 -0.52 0.00 0.00 52.55 54.25 3d5p s ASP 107 Cb -0.31 1.62 1.50 0.00 -1.46 0.00 0.00 42.92 44.27 3d5p s ASP 107 CO 0.28 -0.20 2.03 -0.29 0.52 0.00 0.00 175.17 177.51 3d5p h ILE 108 N 5.30 0.58 -0.00 4.11 6.09 -1.89 -0.45 117.51 131.26 3d5p h ILE 108 Ca -0.25 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 3d5p h ILE 108 Cb 1.18 0.77 0.00 0.00 0.47 0.00 0.00 36.82 39.24 3d5p h ILE 108 CO 0.14 0.00 -0.10 0.35 -3.07 0.00 0.00 178.15 175.48 3d5p n THR 109 N -4.05 0.00 -0.20 2.19 -2.24 -1.26 -3.52 114.28 105.20 3d5p n THR 109 Ca 0.06 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3d5p n THR 109 Cb 0.48 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3d5p n THR 109 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3d5p n SER 110 N -1.23 1.53 -4.77 3.42 3.41 -0.19 -5.01 113.62 110.78 3d5p n SER 110 Ca 0.12 -1.72 -0.40 0.00 -0.26 0.00 0.00 58.87 56.61 3d5p n SER 110 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3d5p n SER 110 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3d5p s ILE 111 N -0.72 2.46 -0.18 -1.33 -4.36 -1.18 -4.87 121.20 111.01 3d5p s ILE 111 Ca 0.00 0.41 -0.00 0.00 -0.26 0.00 0.00 60.65 60.80 3d5p s ILE 111 Cb 0.00 -3.25 0.01 0.00 1.25 0.00 0.00 42.46 40.47 3d5p s ILE 111 CO 0.00 0.06 -0.15 -0.75 0.24 0.00 0.00 174.94 174.34 3d5p s LYS 112 N -2.27 3.13 0.09 0.37 2.36 -0.26 -4.98 119.74 118.18 3d5p s LYS 112 Ca 0.57 -0.76 -0.31 0.00 -2.55 0.00 0.00 55.97 52.92 3d5p s LYS 112 Cb -0.40 -2.68 -0.07 0.00 -1.05 0.00 0.00 37.83 33.63 3d5p s LYS 112 CO 0.52 -0.15 1.27 -0.47 1.55 0.00 0.00 175.35 178.06 3d5p s TYR 113 N 1.22 3.37 -0.00 4.03 5.04 -1.26 -0.45 117.35 129.30 3d5p s TYR 113 Ca 0.03 1.19 0.00 0.00 -2.44 0.00 0.00 57.07 55.85 3d5p s TYR 113 Cb -0.14 -3.51 -0.00 0.00 0.35 0.00 0.00 41.96 38.66 3d5p s TYR 113 CO -0.07 -1.66 0.00 0.44 -1.34 0.00 0.00 175.55 172.92 3d5p n ILE 114 N 3.82 0.01 -3.47 3.14 -5.35 0.04 -4.90 119.36 112.65 3d5p n ILE 114 Ca 0.09 -0.01 -0.13 0.00 -0.27 0.00 0.00 62.75 62.43 3d5p n ILE 114 Cb 0.45 -0.55 -0.03 0.00 -1.74 0.00 0.00 39.64 37.76 3d5p n ILE 114 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3d5p s ALA 115 N -2.01 -1.70 -1.25 -1.28 0.00 -1.05 -4.92 121.76 109.56 3d5p s ALA 115 Ca -0.00 0.87 0.28 0.00 0.00 0.00 0.00 51.96 53.10 3d5p s ALA 115 Cb 0.00 0.47 0.98 0.00 0.00 0.00 0.00 23.12 24.57 3d5p s ALA 115 CO 0.01 -0.61 1.72 -0.35 0.00 0.00 0.00 175.76 176.53 3d5p n PRO 116 N 0.10 0.26 -3.78 0.00 -0.04 -1.26 -0.67 135.00 129.61 3d5p n PRO 116 Ca -0.16 -0.10 -0.06 0.00 -0.04 0.00 0.00 63.50 63.14 3d5p n PRO 116 Cb 0.62 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 3d5p n PRO 116 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3d5p s SER 117 N -2.80 -0.24 0.14 3.54 1.04 -1.25 -3.40 113.70 110.72 3d5p s SER 117 Ca 0.18 -0.48 -0.17 0.00 0.48 0.00 0.00 55.95 55.97 3d5p s SER 117 Cb 0.19 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.91 3d5p s SER 117 CO 0.57 -1.12 1.74 0.15 0.98 0.00 0.00 173.24 175.56 3d5p h PHE 118 N 2.00 0.50 -0.29 5.02 3.57 -1.91 -1.09 116.94 124.73 3d5p h PHE 118 Ca -0.22 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.15 3d5p h PHE 118 Cb 1.24 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 3d5p h PHE 118 CO 0.40 0.39 -0.30 -0.44 -2.23 0.00 0.00 178.31 176.12 3d5p h ASP 119 N 0.46 0.63 -0.38 0.41 3.32 -1.97 -1.32 116.42 117.58 3d5p h ASP 119 Ca 0.13 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3d5p h ASP 119 Cb 0.05 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3d5p h ASP 119 CO -0.02 0.90 0.25 -0.78 -1.72 0.00 0.00 179.24 177.86 3d5p h ASP 120 N 0.52 0.44 -0.46 6.45 1.82 -1.92 -1.51 116.42 121.76 3d5p h ASP 120 Ca 0.06 -0.02 0.07 0.00 -0.39 0.00 0.00 57.03 56.76 3d5p h ASP 120 Cb 0.79 -0.11 -0.06 0.00 0.68 0.00 0.00 39.33 40.62 3d5p h ASP 120 CO 0.06 0.32 0.10 0.15 -1.61 0.00 0.00 179.24 178.26 3d5p h PHE 121 N 0.51 0.16 -0.71 0.28 3.57 -0.76 -0.15 116.94 119.85 3d5p h PHE 121 Ca 0.14 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 3d5p h PHE 121 Cb -0.05 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3d5p h PHE 121 CO -0.05 0.01 0.35 -0.07 -2.23 0.00 0.00 178.31 176.32 3d5p h LEU 122 N 0.24 0.90 -0.10 0.59 3.38 -0.88 -2.10 115.31 117.34 3d5p h LEU 122 Ca 0.22 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3d5p h LEU 122 Cb 0.28 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3d5p h LEU 122 CO -0.29 0.76 -0.11 1.23 0.09 0.00 0.00 178.44 180.12 3d5p h GLY 123 N 1.06 0.27 0.04 0.83 0.00 -0.73 -3.00 103.07 101.53 3d5p h GLY 123 Ca 0.25 -0.28 0.22 0.00 0.00 0.00 0.00 47.33 47.51 3d5p h GLY 123 CO -0.03 0.25 0.62 0.50 0.00 0.00 0.00 176.54 177.88 3d5p h LYS 124 N -0.17 0.61 0.00 4.80 1.57 -0.91 -2.66 116.57 119.81 3d5p h LYS 124 Ca 0.01 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3d5p h LYS 124 Cb 0.63 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 3d5p h LYS 124 CO 0.03 0.40 -0.08 0.00 -0.57 0.00 0.00 179.45 179.23 3d5p h ALA 125 N 1.66 1.83 0.00 3.86 0.00 -1.23 0.68 119.26 126.05 3d5p h ALA 125 Ca 0.59 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.36 3d5p h ALA 125 Cb 1.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3d5p h ALA 125 CO -0.37 0.10 -0.29 -0.84 0.00 0.00 0.00 179.25 177.85 3d5p h ILE 126 N 0.00 0.88 0.00 0.00 -0.00 -1.56 -3.26 117.51 113.57 3d5p h ILE 126 Ca -0.00 -1.15 0.00 0.00 -0.00 0.00 0.00 64.86 63.71 3d5p h ILE 126 Cb 0.14 1.69 0.00 0.00 -0.00 0.00 0.00 36.82 38.65 3d5p h ILE 126 CO 0.01 0.29 0.00 0.00 -0.00 0.00 0.00 178.15 178.45 3d5p n TYR 127 N -3.71 0.00 -5.19 0.16 4.11 -0.60 -4.16 117.16 107.75 3d5p n TYR 127 Ca -0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.58 3d5p n TYR 127 Cb 0.40 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.57 3d5p n TYR 127 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.86 175.69 3d5p s LEU 128 N -0.72 2.05 -0.41 -3.48 2.96 0.13 -5.08 118.68 114.13 3d5p s LEU 128 Ca 0.00 -0.50 -0.20 0.00 -0.22 0.00 0.00 54.13 53.21 3d5p s LEU 128 Cb 0.00 -1.32 0.02 0.00 0.50 0.00 0.00 46.19 45.38 3d5p s LEU 128 CO 0.00 0.21 0.62 0.21 -1.32 0.00 0.00 176.35 176.07 3d5p s ASN 129 N -0.02 6.33 0.37 3.68 3.84 -1.26 -4.50 114.94 123.38 3d5p s ASN 129 Ca -0.07 -0.25 0.27 0.00 0.21 0.00 0.00 52.86 53.02 3d5p s ASN 129 Cb -0.14 -2.31 1.18 0.00 -0.55 0.00 0.00 41.25 39.43 3d5p s ASN 129 CO 0.05 -0.71 1.82 -0.26 -2.79 0.00 0.00 177.10 175.21 3d5p h PHE 130 N 8.76 0.00 -0.01 0.43 0.04 -1.94 0.20 116.94 124.42 3d5p h PHE 130 Ca -0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.51 3d5p h PHE 130 Cb 1.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.25 3d5p h PHE 130 CO 0.72 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 178.52 3d5p n ASN 131 N -2.52 0.23 0.00 2.17 3.02 -1.26 -5.16 115.26 111.74 3d5p n ASN 131 Ca 0.01 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 3d5p n ASN 131 Cb 0.22 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 3d5p n ASN 131 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93