#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmx s SER 2 N 0.00 -0.41 0.56 1.61 1.04 -1.26 -5.16 113.70 110.08 2dmx s SER 2 Ca 0.00 0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.29 2dmx s SER 2 Cb 0.00 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 2dmx s SER 2 CO 0.00 -0.68 1.05 -0.55 0.98 0.00 0.00 173.24 174.05 2dmx s SER 3 N -2.44 5.95 1.15 7.02 0.15 -1.26 -5.02 113.70 119.25 2dmx s SER 3 Ca 0.04 1.86 -0.15 0.00 0.70 0.00 0.00 55.95 58.39 2dmx s SER 3 Cb -0.01 -2.54 0.20 0.00 -1.71 0.00 0.00 66.02 61.96 2dmx s SER 3 CO -0.09 -1.05 0.54 0.61 1.20 0.00 0.00 173.24 174.45 2dmx n GLY 4 N -0.72 -2.24 3.75 9.45 0.00 -1.26 -5.01 105.19 109.15 2dmx n GLY 4 Ca 0.09 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 2dmx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmx s SER 5 N -2.13 5.43 -0.04 1.61 1.04 -1.26 -5.04 113.70 113.32 2dmx s SER 5 Ca 0.63 0.03 -0.24 0.00 0.48 0.00 0.00 55.95 56.85 2dmx s SER 5 Cb -0.19 -1.47 -0.23 0.00 0.10 0.00 0.00 66.02 64.23 2dmx s SER 5 CO 0.66 0.24 1.07 0.28 0.98 0.00 0.00 173.24 176.46 2dmx h SER 6 N 3.87 0.26 0.00 7.02 0.02 -2.07 -3.49 113.55 119.15 2dmx h SER 6 Ca -0.48 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 59.73 2dmx h SER 6 Cb 1.17 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2dmx h SER 6 CO 0.62 0.96 0.00 0.61 -1.14 0.00 0.00 176.83 177.88 2dmx n GLY 7 N 0.95 2.36 3.87 -3.77 0.00 -1.26 -4.91 105.19 102.44 2dmx n GLY 7 Ca -0.09 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 2dmx n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dmx n MET 8 N 0.00 -5.77 -4.70 1.61 2.81 -1.26 -4.97 117.12 104.84 2dmx n MET 8 Ca 0.00 0.62 -0.33 0.00 -1.81 0.00 0.00 57.70 56.18 2dmx n MET 8 Cb 0.00 -5.52 -0.15 0.00 -0.71 0.00 0.00 33.22 26.84 2dmx n MET 8 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dmx s ALA 9 N -3.32 2.57 -0.25 3.04 0.00 -1.26 -5.09 121.76 117.46 2dmx s ALA 9 Ca 0.63 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 2dmx s ALA 9 Cb -0.31 -1.22 -0.00 0.00 0.00 0.00 0.00 23.12 21.59 2dmx s ALA 9 CO 0.82 0.15 1.23 -0.80 0.00 0.00 0.00 175.76 177.15 2dmx s ASN 10 N 0.52 6.86 0.15 0.00 0.01 -1.26 -4.93 114.94 116.28 2dmx s ASN 10 Ca -0.09 1.38 -0.25 0.00 -0.71 0.00 0.00 52.86 53.19 2dmx s ASN 10 Cb -0.16 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 38.98 2dmx s ASN 10 CO 0.04 -0.89 1.61 1.88 -1.51 0.00 0.00 177.10 178.23 2dmx h TYR 11 N 8.52 -0.89 -0.84 2.20 0.05 -1.98 -0.25 116.97 123.78 2dmx h TYR 11 Ca -0.25 0.05 0.18 0.00 0.05 0.00 0.00 58.73 58.76 2dmx h TYR 11 Cb 1.09 0.43 -0.11 0.00 1.01 0.00 0.00 36.73 39.15 2dmx h TYR 11 CO 0.83 -0.39 0.37 1.88 -1.05 0.00 0.00 178.16 179.81 2dmx h TYR 12 N -0.33 0.64 0.38 4.88 0.05 -1.92 -1.71 116.97 118.96 2dmx h TYR 12 Ca 0.13 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.93 2dmx h TYR 12 Cb 0.54 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.13 2dmx h TYR 12 CO -0.46 0.05 -0.18 0.93 -1.05 0.00 0.00 178.16 177.44 2dmx h GLU 13 N 0.47 -0.49 -0.75 4.88 4.39 -1.40 0.34 114.58 122.03 2dmx h GLU 13 Ca 0.49 0.03 0.14 0.00 0.34 0.00 0.00 59.36 60.37 2dmx h GLU 13 Cb 0.82 0.11 -0.14 0.00 -0.10 0.00 0.00 28.75 29.44 2dmx h GLU 13 CO -0.45 -0.25 -0.24 0.28 -1.16 0.00 0.00 179.01 177.19 2dmx h VAL 14 N -0.65 0.19 -0.19 3.13 2.07 -0.23 -0.37 116.25 120.20 2dmx h VAL 14 Ca -0.05 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 2dmx h VAL 14 Cb 0.47 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2dmx h VAL 14 CO 0.09 0.00 -0.44 -0.07 0.02 0.00 0.00 177.57 177.17 2dmx h LEU 15 N -0.04 0.71 -0.16 2.57 3.38 -1.35 -3.48 115.31 116.95 2dmx h LEU 15 Ca 0.34 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2dmx h LEU 15 Cb 0.57 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2dmx h LEU 15 CO -0.79 1.15 0.00 0.61 0.09 0.00 0.00 178.44 179.50 2dmx n GLY 16 N 0.46 0.99 3.37 0.83 0.00 0.11 -4.92 105.19 106.04 2dmx n GLY 16 Ca -0.06 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 2dmx n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dmx s VAL 17 N -2.16 0.64 0.30 1.61 -7.23 -0.84 -5.03 120.40 107.69 2dmx s VAL 17 Ca 0.00 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.23 2dmx s VAL 17 Cb 0.00 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.31 2dmx s VAL 17 CO 0.00 0.00 0.42 -1.10 -0.31 0.00 0.00 175.10 174.11 2dmx s GLN 18 N -3.92 3.23 0.34 4.82 -0.21 -1.26 -4.58 119.66 118.08 2dmx s GLN 18 Ca 0.36 -0.93 0.05 0.00 0.02 0.00 0.00 55.36 54.86 2dmx s GLN 18 Cb 0.07 -2.84 0.63 0.00 1.00 0.00 0.00 33.01 31.87 2dmx s GLN 18 CO 0.15 0.20 1.88 0.00 -2.12 0.00 0.00 175.29 175.40 2dmx h ALA 19 N 1.01 1.39 -0.11 6.09 0.00 -2.02 -1.61 119.26 124.02 2dmx h ALA 19 Ca -0.48 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2dmx h ALA 19 Cb 1.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2dmx h ALA 19 CO 0.56 0.42 0.00 0.45 0.00 0.00 0.00 179.25 180.68 2dmx n SER 20 N -4.29 1.41 -4.77 0.00 2.88 -1.26 -4.89 113.62 102.70 2dmx n SER 20 Ca 0.01 -2.10 -0.30 0.00 -1.33 0.00 0.00 58.87 55.15 2dmx n SER 20 Cb 0.24 -0.38 0.11 0.00 -0.75 0.00 0.00 64.21 63.44 2dmx n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dmx s ALA 21 N -1.48 1.91 0.39 -1.46 0.00 -0.61 -5.05 121.76 115.47 2dmx s ALA 21 Ca 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.83 2dmx s ALA 21 Cb 0.06 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 2dmx s ALA 21 CO 0.04 -2.04 0.64 -1.12 0.00 0.00 0.00 175.76 173.28 2dmx s SER 22 N -3.74 6.31 0.00 0.00 0.01 -1.26 -4.97 113.70 110.05 2dmx s SER 22 Ca 0.62 0.68 0.14 0.00 1.31 0.00 0.00 55.95 58.70 2dmx s SER 22 Cb -0.16 -2.13 0.62 0.00 0.21 0.00 0.00 66.02 64.56 2dmx s SER 22 CO 0.55 -0.39 1.45 -0.81 0.41 0.00 0.00 173.24 174.45 2dmx n PRO 23 N -1.84 0.02 -0.06 12.44 -0.04 -1.26 -2.76 135.00 141.50 2dmx n PRO 23 Ca -0.02 0.25 -0.17 0.00 -0.04 0.00 0.00 63.50 63.51 2dmx n PRO 23 Cb 0.55 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 2dmx n PRO 23 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2dmx n GLU 24 N -1.48 0.70 -0.03 0.54 2.13 -1.26 -3.92 120.64 117.31 2dmx n GLU 24 Ca 0.04 0.19 -0.10 0.00 0.66 0.00 0.00 57.16 57.95 2dmx n GLU 24 Cb 0.16 -1.63 -0.04 0.00 0.27 0.00 0.00 31.44 30.20 2dmx n GLU 24 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2dmx h ASP 25 N 0.03 0.20 -0.82 4.31 5.19 -1.92 -1.47 116.42 121.94 2dmx h ASP 25 Ca -0.48 -0.04 0.03 0.00 -0.62 0.00 0.00 57.03 55.92 2dmx h ASP 25 Cb 2.01 -0.05 -0.05 0.00 0.18 0.00 0.00 39.33 41.42 2dmx h ASP 25 CO 0.01 0.18 0.53 0.40 -3.12 0.00 0.00 179.24 177.24 2dmx h ILE 26 N 0.21 1.13 0.68 0.35 2.04 -1.75 0.17 117.51 120.33 2dmx h ILE 26 Ca 0.06 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2dmx h ILE 26 Cb 0.01 0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.11 2dmx h ILE 26 CO -0.01 0.19 -0.33 0.50 0.00 0.00 0.00 178.15 178.50 2dmx h LYS 27 N 1.03 -0.88 -0.70 2.37 3.64 -1.61 0.22 116.57 120.65 2dmx h LYS 27 Ca 0.33 0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.80 2dmx h LYS 27 Cb 0.00 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 2dmx h LYS 27 CO -0.11 -0.57 0.43 1.57 -2.27 0.00 0.00 179.45 178.50 2dmx h LYS 28 N -0.97 0.81 0.02 1.90 2.10 -1.12 -2.18 116.57 117.13 2dmx h LYS 28 Ca -0.09 -0.05 0.01 0.00 -2.00 0.00 0.00 60.65 58.51 2dmx h LYS 28 Cb 0.72 -0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 31.85 2dmx h LYS 28 CO 0.15 0.54 -0.05 0.00 -2.00 0.00 0.00 179.45 178.09 2dmx h ALA 29 N 1.31 -0.07 0.24 0.07 0.00 -0.57 -2.72 119.26 117.52 2dmx h ALA 29 Ca 0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2dmx h ALA 29 Cb 0.04 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2dmx h ALA 29 CO -0.12 -0.55 -0.33 -0.92 0.00 0.00 0.00 179.25 177.33 2dmx h TYR 30 N -0.10 -0.92 -0.92 0.00 3.20 -0.63 0.17 116.97 117.77 2dmx h TYR 30 Ca 0.01 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.99 2dmx h TYR 30 Cb 0.11 0.37 -0.12 0.00 1.54 0.00 0.00 36.73 38.63 2dmx h TYR 30 CO -0.11 -0.41 -0.51 0.54 -1.64 0.00 0.00 178.16 176.03 2dmx n ARG 31 N -4.34 -0.37 -0.27 1.82 1.74 -0.85 0.61 116.66 115.00 2dmx n ARG 31 Ca -0.07 1.39 -0.02 0.00 -0.77 0.00 0.00 57.85 58.38 2dmx n ARG 31 Cb 0.28 -2.04 0.09 0.00 -1.02 0.00 0.00 32.46 29.77 2dmx n ARG 31 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2dmx h LYS 32 N 0.00 0.89 -0.01 5.56 1.79 -1.30 -2.71 116.57 120.79 2dmx h LYS 32 Ca 0.18 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.61 2dmx h LYS 32 Cb 0.41 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 2dmx h LYS 32 CO -0.87 0.59 -0.11 -0.07 -1.08 0.00 0.00 179.45 177.91 2dmx h LEU 33 N 0.92 -0.33 -0.85 2.94 3.38 0.32 -1.42 115.31 120.27 2dmx h LEU 33 Ca 0.31 0.05 0.20 0.00 0.09 0.00 0.00 57.88 58.53 2dmx h LEU 33 Cb 0.04 0.14 -0.16 0.00 0.09 0.00 0.00 40.66 40.78 2dmx h LEU 33 CO -0.12 -0.16 -0.07 0.00 0.09 0.00 0.00 178.44 178.18 2dmx h ALA 34 N 0.78 0.81 -0.40 1.53 0.00 -0.15 0.31 119.26 122.15 2dmx h ALA 34 Ca 0.05 0.30 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 2dmx h ALA 34 Cb 0.25 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2dmx h ALA 34 CO -0.12 -0.45 -0.08 1.25 0.00 0.00 0.00 179.25 179.85 2dmx h LEU 35 N 0.04 0.76 0.29 0.00 6.46 -1.39 -1.16 115.31 120.33 2dmx h LEU 35 Ca 0.46 -0.35 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2dmx h LEU 35 Cb 0.82 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 2dmx h LEU 35 CO -0.81 0.94 -0.24 -0.09 -0.62 0.00 0.00 178.44 177.62 2dmx h ARG 36 N 0.57 -0.52 -0.68 1.25 2.43 0.54 -1.60 114.38 116.38 2dmx h ARG 36 Ca 0.10 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2dmx h ARG 36 Cb 0.60 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2dmx h ARG 36 CO 0.04 -0.35 0.00 0.91 -1.51 0.00 0.00 179.97 179.06 2dmx n TRP 37 N -5.36 0.41 -2.11 2.20 7.02 0.60 -4.90 117.44 115.30 2dmx n TRP 37 Ca -0.09 -0.15 -0.41 0.00 -1.02 0.00 0.00 57.50 55.83 2dmx n TRP 37 Cb 0.27 -0.14 -0.02 0.00 -2.42 0.00 0.00 31.31 29.00 2dmx n TRP 37 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2dmx s HIS 38 N -1.52 3.09 0.08 -5.99 2.46 -0.44 -4.17 115.29 108.81 2dmx s HIS 38 Ca 0.12 1.25 -0.16 0.00 0.47 0.00 0.00 55.06 56.74 2dmx s HIS 38 Cb 0.09 -3.70 -0.10 0.00 -0.13 0.00 0.00 32.58 28.73 2dmx s HIS 38 CO 0.05 -2.11 1.40 -1.00 -2.47 0.00 0.00 174.74 170.61 2dmx h PRO 39 N 4.33 0.61 -0.58 2.88 0.13 -1.83 -2.77 132.00 134.78 2dmx h PRO 39 Ca -0.47 -0.32 -0.00 0.00 -0.87 0.00 0.00 66.00 64.33 2dmx h PRO 39 Cb 1.22 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 2dmx h PRO 39 CO 0.72 0.92 0.35 0.22 -0.23 0.00 0.00 178.00 179.98 2dmx h ASP 40 N 0.33 0.68 1.34 1.44 3.58 -1.92 -0.97 116.42 120.90 2dmx h ASP 40 Ca 0.04 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2dmx h ASP 40 Cb 0.81 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.68 2dmx h ASP 40 CO 0.06 0.53 -0.08 0.11 -2.88 0.00 0.00 179.24 176.98 2dmx h LYS 41 N 0.79 0.00 -4.44 0.28 1.79 -1.86 -3.39 116.57 109.74 2dmx h LYS 41 Ca 0.21 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 57.97 2dmx h LYS 41 Cb -0.03 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 30.31 2dmx h LYS 41 CO -0.04 0.08 -0.49 -0.80 -1.08 0.00 0.00 179.45 177.12 2dmx s ASN 42 N -6.01 5.46 -0.02 0.86 0.01 -0.37 -4.97 114.94 109.90 2dmx s ASN 42 Ca 0.03 -1.80 -0.25 0.00 -0.71 0.00 0.00 52.86 50.13 2dmx s ASN 42 Cb 0.08 -1.91 -0.19 0.00 0.41 0.00 0.00 41.25 39.63 2dmx s ASN 42 CO 0.62 -0.56 1.21 1.55 -1.51 0.00 0.00 177.10 178.40 2dmx h PRO 43 N 8.25 -0.08 -0.59 -0.60 0.13 -1.78 -3.31 132.00 134.02 2dmx h PRO 43 Ca -0.18 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.01 2dmx h PRO 43 Cb 1.07 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.13 2dmx h PRO 43 CO 0.75 0.38 -0.49 0.22 -0.23 0.00 0.00 178.00 178.62 2dmx h ASP 44 N -0.58 -1.73 -3.34 1.44 3.58 -1.93 -3.37 116.42 110.49 2dmx h ASP 44 Ca -0.01 0.25 -0.60 0.00 0.42 0.00 0.00 57.03 57.09 2dmx h ASP 44 Cb 0.50 0.74 -0.37 0.00 1.72 0.00 0.00 39.33 41.92 2dmx h ASP 44 CO 0.01 -0.28 -0.81 0.54 -2.88 0.00 0.00 179.24 175.83 2dmx s ASN 45 N -4.93 3.11 -0.22 2.28 4.22 -1.25 -5.01 114.94 113.15 2dmx s ASN 45 Ca -0.11 -0.75 -0.18 0.00 -2.14 0.00 0.00 52.86 49.68 2dmx s ASN 45 Cb 0.08 -1.15 -0.15 0.00 1.28 0.00 0.00 41.25 41.31 2dmx s ASN 45 CO 0.53 -0.13 -0.01 0.29 -2.04 0.00 0.00 177.10 175.73 2dmx n LYS 46 N 4.75 0.56 0.23 3.55 4.01 -1.24 -4.07 118.16 125.94 2dmx n LYS 46 Ca -0.15 0.47 -0.16 0.00 -0.51 0.00 0.00 58.31 57.96 2dmx n LYS 46 Cb 0.48 -1.66 -0.08 0.00 -0.51 0.00 0.00 35.03 33.26 2dmx n LYS 46 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 2dmx h GLU 47 N -1.00 -0.74 -0.86 1.97 4.57 -1.92 -0.90 114.58 115.70 2dmx h GLU 47 Ca -0.41 0.05 0.19 0.00 -1.18 0.00 0.00 59.36 58.01 2dmx h GLU 47 Cb 1.31 0.17 -0.16 0.00 -0.16 0.00 0.00 28.75 29.91 2dmx h GLU 47 CO -0.25 -0.50 -0.14 1.49 -1.18 0.00 0.00 179.01 178.44 2dmx h GLU 48 N -0.77 0.02 -0.01 1.92 4.81 -2.00 0.89 114.58 119.44 2dmx h GLU 48 Ca -0.03 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2dmx h GLU 48 Cb 0.69 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 2dmx h GLU 48 CO -0.06 0.01 0.01 0.00 -0.73 0.00 0.00 179.01 178.23 2dmx h ALA 49 N 1.85 0.02 -0.92 2.92 0.00 -1.61 -3.18 119.26 118.34 2dmx h ALA 49 Ca 0.44 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.37 2dmx h ALA 49 Cb 0.73 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.40 2dmx h ALA 49 CO -0.85 -0.42 -0.57 0.93 0.00 0.00 0.00 179.25 178.34 2dmx h GLU 50 N -0.11 -0.05 -0.71 0.00 5.08 0.59 0.84 114.58 120.22 2dmx h GLU 50 Ca 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.48 2dmx h GLU 50 Cb 0.13 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.27 2dmx h GLU 50 CO -0.00 -0.03 -0.37 -0.22 -1.00 0.00 0.00 179.01 177.38 2dmx h LYS 51 N -0.05 -0.12 -0.98 2.33 1.63 -1.43 0.43 116.57 118.37 2dmx h LYS 51 Ca 0.17 0.01 0.14 0.00 -0.85 0.00 0.00 60.65 60.11 2dmx h LYS 51 Cb 0.45 0.03 -0.09 0.00 -0.60 0.00 0.00 32.23 32.02 2dmx h LYS 51 CO -0.90 -0.08 0.62 0.87 -3.45 0.00 0.00 179.45 176.51 2dmx h LYS 52 N -0.13 0.85 -0.68 1.90 1.79 -0.90 -0.76 116.57 118.64 2dmx h LYS 52 Ca 0.25 -0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.73 2dmx h LYS 52 Cb 0.56 -0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 30.96 2dmx h LYS 52 CO -0.77 0.56 0.38 0.35 -1.08 0.00 0.00 179.45 178.89 2dmx h PHE 53 N 0.88 0.70 -0.39 -1.35 3.04 0.11 0.81 116.94 120.74 2dmx h PHE 53 Ca 0.50 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 62.36 2dmx h PHE 53 Cb 0.63 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.91 2dmx h PHE 53 CO -0.00 0.33 -0.24 -0.22 -2.02 0.00 0.00 178.31 176.16 2dmx h LYS 54 N 0.70 0.79 0.29 1.11 1.63 -0.57 -2.75 116.57 117.77 2dmx h LYS 54 Ca 0.30 -0.33 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 2dmx h LYS 54 Cb 0.19 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 2dmx h LYS 54 CO -0.18 0.95 -0.14 -0.07 -3.45 0.00 0.00 179.45 176.56 2dmx h LEU 55 N 0.68 -0.33 -1.86 5.20 3.38 -0.54 0.19 115.31 122.04 2dmx h LEU 55 Ca 0.09 -0.15 0.18 0.00 0.09 0.00 0.00 57.88 58.09 2dmx h LEU 55 Cb 0.76 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 2dmx h LEU 55 CO 0.06 -0.02 0.49 1.62 0.09 0.00 0.00 178.44 180.68 2dmx h VAL 56 N -0.65 0.70 0.15 1.22 3.04 -0.89 -0.32 116.25 119.50 2dmx h VAL 56 Ca -0.04 -0.05 -0.23 0.00 -1.01 0.00 0.00 66.70 65.37 2dmx h VAL 56 Cb 0.46 0.55 0.02 0.00 -2.01 0.00 0.00 31.29 30.31 2dmx h VAL 56 CO 0.07 0.02 -1.07 0.77 -1.01 0.00 0.00 177.57 176.35 2dmx h SER 57 N 0.13 0.50 0.64 3.17 4.64 -1.27 -2.87 113.55 118.50 2dmx h SER 57 Ca 0.34 -0.92 -0.03 0.00 -0.47 0.00 0.00 61.79 60.71 2dmx h SER 57 Cb 1.16 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2dmx h SER 57 CO -0.05 1.50 -0.40 -0.08 -0.87 0.00 0.00 176.83 176.93 2dmx h GLU 58 N -0.28 -0.95 -0.57 4.77 4.57 0.50 -2.94 114.58 119.68 2dmx h GLU 58 Ca -0.20 0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.08 2dmx h GLU 58 Cb 1.75 0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 30.51 2dmx h GLU 58 CO 0.15 -0.64 0.32 0.00 -1.18 0.00 0.00 179.01 177.66 2dmx h ALA 59 N -0.73 0.73 -0.97 2.92 0.00 -1.27 -1.95 119.26 117.98 2dmx h ALA 59 Ca -0.08 0.00 0.33 0.00 0.00 0.00 0.00 54.91 55.16 2dmx h ALA 59 Cb 0.80 -0.13 -0.16 0.00 0.00 0.00 0.00 17.79 18.31 2dmx h ALA 59 CO 0.08 0.01 0.41 -0.92 0.00 0.00 0.00 179.25 178.83 2dmx h TYR 60 N 0.62 0.63 0.07 0.00 3.20 -1.33 0.12 116.97 120.27 2dmx h TYR 60 Ca 0.24 0.05 -0.11 0.00 3.14 0.00 0.00 58.73 62.05 2dmx h TYR 60 Cb 0.09 -0.12 0.01 0.00 1.54 0.00 0.00 36.73 38.26 2dmx h TYR 60 CO -0.08 -0.32 -0.45 0.93 -1.64 0.00 0.00 178.16 176.61 2dmx h GLU 61 N 0.15 0.19 -1.00 1.82 4.39 -1.26 -0.63 114.58 118.25 2dmx h GLU 61 Ca 0.71 -0.29 0.28 0.00 0.34 0.00 0.00 59.36 60.40 2dmx h GLU 61 Cb 1.67 0.10 -0.14 0.00 -0.10 0.00 0.00 28.75 30.29 2dmx h GLU 61 CO -0.71 1.11 0.57 0.28 -1.16 0.00 0.00 179.01 179.09 2dmx h VAL 62 N -0.58 0.42 0.05 3.13 2.07 -0.11 -0.96 116.25 120.28 2dmx h VAL 62 Ca -0.07 -0.15 -0.26 0.00 0.82 0.00 0.00 66.70 67.03 2dmx h VAL 62 Cb 1.32 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2dmx h VAL 62 CO 0.09 0.08 -1.38 -0.07 0.02 0.00 0.00 177.57 176.30 2dmx h LEU 63 N 0.45 0.18 -0.94 2.57 3.38 -1.19 0.33 115.31 120.09 2dmx h LEU 63 Ca 0.68 -0.71 0.28 0.00 0.09 0.00 0.00 57.88 58.22 2dmx h LEU 63 Cb 1.43 -0.06 -0.16 0.00 0.09 0.00 0.00 40.66 41.96 2dmx h LEU 63 CO -0.54 1.57 0.23 -1.28 0.09 0.00 0.00 178.44 178.51 2dmx h SER 64 N -0.61 -0.08 -4.26 -0.43 0.87 -0.34 -3.40 113.55 105.31 2dmx h SER 64 Ca -0.34 0.24 -0.50 0.00 -1.23 0.00 0.00 61.79 59.96 2dmx h SER 64 Cb 1.55 0.34 0.07 0.00 -0.44 0.00 0.00 62.40 63.92 2dmx h SER 64 CO -0.07 -0.27 0.38 -0.62 -0.53 0.00 0.00 176.83 175.71 2dmx s ASP 65 N -4.96 5.73 -0.05 6.23 -1.08 -0.44 -4.99 116.67 117.12 2dmx s ASP 65 Ca -0.12 1.70 -0.15 0.00 -0.52 0.00 0.00 52.55 53.46 2dmx s ASP 65 Cb 0.29 -2.51 -0.31 0.00 -1.46 0.00 0.00 42.92 38.92 2dmx s ASP 65 CO 0.78 -1.20 0.74 0.77 0.52 0.00 0.00 175.17 176.78 2dmx h SER 66 N 0.00 0.59 -0.05 -0.34 4.64 -1.88 -2.79 113.55 113.71 2dmx h SER 66 Ca -0.45 -0.92 -0.02 0.00 -0.47 0.00 0.00 61.79 59.93 2dmx h SER 66 Cb 1.21 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2dmx h SER 66 CO 0.58 1.67 -0.04 0.07 -0.87 0.00 0.00 176.83 178.24 2dmx h LYS 67 N -0.06 0.12 -0.43 4.77 2.10 -1.93 -0.61 116.57 120.52 2dmx h LYS 67 Ca -0.29 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.29 2dmx h LYS 67 Cb 1.96 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.27 2dmx h LYS 67 CO 0.16 0.53 0.20 0.87 -2.00 0.00 0.00 179.45 179.22 2dmx h LYS 68 N -0.29 0.62 0.21 0.07 1.57 -1.74 0.16 116.57 117.17 2dmx h LYS 68 Ca 0.01 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2dmx h LYS 68 Cb 0.50 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2dmx h LYS 68 CO 0.01 0.54 -0.10 -0.09 -0.57 0.00 0.00 179.45 179.24 2dmx h ARG 69 N 0.55 -0.27 -0.33 3.15 2.43 -0.04 -0.86 114.38 119.02 2dmx h ARG 69 Ca 0.15 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2dmx h ARG 69 Cb 0.13 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2dmx h ARG 69 CO -0.02 -0.07 0.21 0.77 -1.51 0.00 0.00 179.97 179.35 2dmx h SER 70 N -0.43 0.38 -0.63 -3.80 0.02 -1.04 0.99 113.55 109.03 2dmx h SER 70 Ca -0.03 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 60.95 2dmx h SER 70 Cb 0.33 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 2dmx h SER 70 CO 0.05 0.29 0.36 -0.07 -1.14 0.00 0.00 176.83 176.31 2dmx h LEU 71 N 0.44 0.55 -0.43 5.07 3.38 -0.62 0.21 115.31 123.90 2dmx h LEU 71 Ca 0.12 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2dmx h LEU 71 Cb -0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2dmx h LEU 71 CO -0.03 0.37 -0.18 0.22 0.09 0.00 0.00 178.44 178.92 2dmx h TYR 72 N 0.68 1.01 0.77 1.13 3.20 -0.82 -2.78 116.97 120.16 2dmx h TYR 72 Ca 0.27 -0.24 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2dmx h TYR 72 Cb 0.12 -0.24 0.01 0.00 1.54 0.00 0.00 36.73 38.16 2dmx h TYR 72 CO -0.07 1.02 -0.37 0.22 -1.64 0.00 0.00 178.16 177.31 2dmx h ASP 73 N 0.71 -0.88 -0.98 -2.11 3.58 -0.29 -3.02 116.42 113.43 2dmx h ASP 73 Ca 0.10 0.03 0.30 0.00 0.42 0.00 0.00 57.03 57.88 2dmx h ASP 73 Cb 0.73 0.23 -0.15 0.00 1.72 0.00 0.00 39.33 41.86 2dmx h ASP 73 CO 0.06 -0.52 0.51 0.08 -2.88 0.00 0.00 179.24 176.49 2dmx h ARG 74 N -1.25 0.31 0.17 0.28 0.11 -0.68 0.06 114.38 113.37 2dmx h ARG 74 Ca -0.11 -0.02 0.01 0.00 0.10 0.00 0.00 59.98 59.97 2dmx h ARG 74 Cb 0.80 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 31.77 2dmx h ARG 74 CO 0.17 0.20 -0.34 0.00 0.10 0.00 0.00 179.97 180.11 2dmx h ALA 75 N 1.83 -0.62 0.00 0.08 0.00 -1.40 -3.49 119.26 115.67 2dmx h ALA 75 Ca 0.70 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.54 2dmx h ALA 75 Cb 1.56 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.90 2dmx h ALA 75 CO -0.61 -0.91 0.00 0.41 0.00 0.00 0.00 179.25 178.14 2dmx n GLY 76 N -1.44 -1.31 0.38 0.00 0.00 0.00 -4.67 105.19 98.17 2dmx n GLY 76 Ca -0.07 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.71 2dmx n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmx s ASP 78 N -4.77 7.13 -0.18 0.00 -1.08 -1.26 -4.98 116.67 111.53 2dmx s ASP 78 Ca -0.16 1.34 0.04 0.00 -0.52 0.00 0.00 52.55 53.25 2dmx s ASP 78 Cb 0.08 -2.39 -0.13 0.00 -1.46 0.00 0.00 42.92 39.02 2dmx s ASP 78 CO 0.64 0.25 -0.12 -1.20 0.52 0.00 0.00 175.17 175.26 2dmx n SER 79 N 1.78 2.31 -0.19 -0.34 7.64 -1.26 -4.57 113.62 118.99 2dmx n SER 79 Ca -0.09 -0.08 -0.08 0.00 1.01 0.00 0.00 58.87 59.63 2dmx n SER 79 Cb 0.50 -0.04 0.02 0.00 -1.01 0.00 0.00 64.21 63.68 2dmx n SER 79 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 2dmx h TRP 80 N 0.00 0.82 -3.66 1.43 4.06 -1.98 -3.39 115.95 113.23 2dmx h TRP 80 Ca -0.41 -0.06 -0.68 0.00 2.06 0.00 0.00 58.89 59.80 2dmx h TRP 80 Cb 1.70 -0.24 -0.31 0.00 -1.00 0.00 0.00 29.16 29.30 2dmx h TRP 80 CO 0.02 0.68 -0.69 1.03 -3.56 0.00 0.00 178.44 175.91 2dmx s ARG 81 N -5.53 2.66 -0.18 0.49 1.81 -1.26 -4.97 118.95 111.96 2dmx s ARG 81 Ca -0.13 -1.12 -0.20 0.00 -1.72 0.00 0.00 55.73 52.57 2dmx s ARG 81 Cb 0.12 -3.18 -0.21 0.00 -0.45 0.00 0.00 34.95 31.23 2dmx s ARG 81 CO 0.78 -0.54 0.31 0.00 -0.68 0.00 0.00 175.30 175.18 2dmx h ALA 82 N 8.06 0.26 -0.70 2.13 0.00 -1.83 -3.44 119.26 123.74 2dmx h ALA 82 Ca -0.26 -1.17 -0.32 0.00 0.00 0.00 0.00 54.91 53.16 2dmx h ALA 82 Cb 1.09 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 19.48 2dmx h ALA 82 CO 0.56 0.75 0.83 0.20 0.00 0.00 0.00 179.25 181.59 2dmx s GLY 83 N -4.92 0.24 -0.39 0.00 0.00 -1.26 -4.65 107.32 96.34 2dmx s GLY 83 Ca -0.26 -1.65 0.11 0.00 0.00 0.00 0.00 44.72 42.92 2dmx s GLY 83 CO 0.64 3.46 1.10 0.61 0.00 0.00 0.00 173.10 178.91 2dmx n GLY 84 N 6.69 1.58 0.00 0.20 0.00 -1.26 -5.10 105.19 107.29 2dmx n GLY 84 Ca 0.41 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2dmx n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmx n GLY 85 N -0.09 3.33 3.60 -0.02 0.00 -1.26 -5.08 105.19 105.66 2dmx n GLY 85 Ca 0.07 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 2dmx n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmx s ALA 86 N -2.00 3.39 0.09 4.61 0.00 -1.26 -5.00 121.76 121.58 2dmx s ALA 86 Ca 0.00 -0.52 -0.31 0.00 0.00 0.00 0.00 51.96 51.13 2dmx s ALA 86 Cb 0.00 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 2dmx s ALA 86 CO 0.00 -1.64 1.68 -1.54 0.00 0.00 0.00 175.76 174.26 2dmx s SER 87 N 1.92 6.57 -0.32 0.00 1.04 -1.26 -4.88 113.70 116.77 2dmx s SER 87 Ca 0.37 2.55 -0.00 0.00 0.48 0.00 0.00 55.95 59.35 2dmx s SER 87 Cb -0.12 -2.57 0.30 0.00 0.10 0.00 0.00 66.02 63.73 2dmx s SER 87 CO 0.19 -0.90 1.32 0.61 0.98 0.00 0.00 173.24 175.44 2dmx n GLY 88 N 4.02 -1.75 3.66 7.32 0.00 -1.26 -5.13 105.19 112.04 2dmx n GLY 88 Ca 0.16 0.99 -0.43 0.00 0.00 0.00 0.00 46.02 46.75 2dmx n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmx s PRO 89 N 0.06 4.14 -0.03 1.61 0.04 -1.26 -5.00 135.00 134.55 2dmx s PRO 89 Ca 0.24 1.96 -0.03 0.00 0.04 0.00 0.00 61.00 63.21 2dmx s PRO 89 Cb 0.24 -3.93 0.01 0.00 0.04 0.00 0.00 34.50 30.86 2dmx s PRO 89 CO -0.12 -0.87 0.08 -1.54 0.04 0.00 0.00 177.00 174.58 2dmx s SER 90 N 3.08 -0.07 0.18 6.66 1.04 -1.26 -5.16 113.70 118.16 2dmx s SER 90 Ca 0.68 0.16 0.06 0.00 0.48 0.00 0.00 55.95 57.33 2dmx s SER 90 Cb -0.29 0.15 -0.05 0.00 0.10 0.00 0.00 66.02 65.93 2dmx s SER 90 CO 0.25 -0.04 -0.13 -0.44 0.98 0.00 0.00 173.24 173.86 2dmx s SER 91 N 0.19 2.26 0.00 7.02 0.01 -1.26 -5.35 113.70 116.57 2dmx s SER 91 Ca -0.01 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.25 2dmx s SER 91 Cb -0.02 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2dmx s SER 91 CO -0.01 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.03