#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmx h SER 2 N 0.00 -1.85 -3.70 1.61 0.02 -2.08 -3.33 113.55 104.22 2dmx h SER 2 Ca 0.00 0.27 -0.68 0.00 -0.84 0.00 0.00 61.79 60.54 2dmx h SER 2 Cb 0.00 0.80 -0.34 0.00 0.14 0.00 0.00 62.40 63.00 2dmx h SER 2 CO 0.00 -0.26 -0.67 -0.55 -1.14 0.00 0.00 176.83 174.21 2dmx s SER 3 N -5.09 4.96 0.10 3.07 0.15 -1.26 -4.90 113.70 110.72 2dmx s SER 3 Ca -0.12 -1.54 0.00 0.00 0.70 0.00 0.00 55.95 55.00 2dmx s SER 3 Cb 0.09 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 2dmx s SER 3 CO 0.56 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2dmx n GLY 4 N 4.58 -0.09 0.29 9.45 0.00 -1.25 -4.90 105.19 113.28 2dmx n GLY 4 Ca -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 2dmx n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dmx h SER 5 N 0.00 -0.64 -2.96 1.61 0.87 -1.90 -3.38 113.55 107.15 2dmx h SER 5 Ca 0.00 0.04 -0.64 0.00 -1.23 0.00 0.00 61.79 59.96 2dmx h SER 5 Cb 0.25 0.19 -0.15 0.00 -0.44 0.00 0.00 62.40 62.25 2dmx h SER 5 CO 0.00 -0.40 0.40 -0.94 -0.53 0.00 0.00 176.83 175.36 2dmx s SER 6 N -4.65 6.23 0.00 6.23 1.04 -1.26 -4.85 113.70 116.44 2dmx s SER 6 Ca -0.16 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.43 2dmx s SER 6 Cb 0.05 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2dmx s SER 6 CO 0.63 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 174.23 2dmx n GLY 7 N 5.23 0.22 3.39 7.32 0.00 -1.26 -4.96 105.19 115.14 2dmx n GLY 7 Ca -0.03 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 2dmx n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dmx s MET 8 N -2.00 2.60 -0.23 1.61 0.00 -1.26 -5.09 119.30 114.92 2dmx s MET 8 Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 55.69 54.63 2dmx s MET 8 Cb 0.00 -2.33 -0.01 0.00 0.00 0.00 0.00 34.83 32.50 2dmx s MET 8 CO 0.00 0.50 1.30 0.00 0.00 0.00 0.00 175.02 176.82 2dmx s ALA 9 N -0.42 3.50 -0.02 3.16 0.00 -1.26 -4.96 121.76 121.76 2dmx s ALA 9 Ca 0.05 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 2dmx s ALA 9 Cb -0.12 -3.71 -0.07 0.00 0.00 0.00 0.00 23.12 19.22 2dmx s ALA 9 CO 0.02 -1.51 1.78 -0.80 0.00 0.00 0.00 175.76 175.25 2dmx s ASN 10 N 2.49 6.58 0.11 0.00 0.01 -1.26 -4.90 114.94 117.97 2dmx s ASN 10 Ca 0.56 2.41 -0.33 0.00 -0.71 0.00 0.00 52.86 54.80 2dmx s ASN 10 Cb -0.19 -2.53 -0.12 0.00 0.41 0.00 0.00 41.25 38.82 2dmx s ASN 10 CO 0.19 -0.98 1.57 1.88 -1.51 0.00 0.00 177.10 178.25 2dmx h TYR 11 N 9.95 -1.44 -0.85 2.20 0.05 -1.97 0.19 116.97 125.10 2dmx h TYR 11 Ca -0.43 0.05 0.21 0.00 0.05 0.00 0.00 58.73 58.60 2dmx h TYR 11 Cb 1.20 0.63 -0.15 0.00 1.01 0.00 0.00 36.73 39.42 2dmx h TYR 11 CO 0.91 -0.55 0.04 1.88 -1.05 0.00 0.00 178.16 179.39 2dmx h TYR 12 N -0.65 -0.00 0.21 4.88 0.05 -1.91 -0.21 116.97 119.33 2dmx h TYR 12 Ca 0.02 0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 2dmx h TYR 12 Cb 0.71 0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.59 2dmx h TYR 12 CO -0.48 -0.29 -0.10 0.93 -1.05 0.00 0.00 178.16 177.17 2dmx h GLU 13 N 0.09 -0.27 -0.89 4.88 3.07 -1.51 0.59 114.58 120.55 2dmx h GLU 13 Ca 0.49 0.02 0.24 0.00 -0.50 0.00 0.00 59.36 59.61 2dmx h GLU 13 Cb 0.92 0.06 -0.14 0.00 -0.84 0.00 0.00 28.75 28.75 2dmx h GLU 13 CO -0.75 0.02 0.26 0.28 -1.40 0.00 0.00 179.01 177.43 2dmx h VAL 14 N -0.56 0.30 0.14 3.13 2.07 0.10 0.61 116.25 122.05 2dmx h VAL 14 Ca -0.03 -0.07 -0.30 0.00 0.82 0.00 0.00 66.70 67.12 2dmx h VAL 14 Cb 0.41 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2dmx h VAL 14 CO 0.05 0.04 -1.46 -0.07 0.02 0.00 0.00 177.57 176.15 2dmx h LEU 15 N 0.21 0.47 -0.08 2.57 3.38 -1.13 -3.48 115.31 117.25 2dmx h LEU 15 Ca 0.57 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2dmx h LEU 15 Cb 1.17 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2dmx h LEU 15 CO -0.66 1.47 0.00 0.61 0.09 0.00 0.00 178.44 179.95 2dmx n GLY 16 N 1.65 1.40 3.40 0.83 0.00 0.19 -4.96 105.19 107.70 2dmx n GLY 16 Ca -0.15 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.08 1.05 0.22 1.61 -7.23 -0.10 -5.00 120.40 108.87 2dmx s VAL 17 Ca 0.00 -2.01 0.11 0.00 -1.81 0.00 0.00 61.98 58.27 2dmx s VAL 17 Cb 0.00 -2.68 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 2dmx s VAL 17 CO 0.00 -0.06 -0.16 -1.10 -0.31 0.00 0.00 175.10 173.47 2dmx s GLN 18 N -3.91 1.81 0.26 4.82 -0.21 -1.26 -4.39 119.66 116.77 2dmx s GLN 18 Ca 0.35 -1.51 -0.02 0.00 0.02 0.00 0.00 55.36 54.21 2dmx s GLN 18 Cb 0.08 -1.95 0.52 0.00 1.00 0.00 0.00 33.01 32.66 2dmx s GLN 18 CO 0.14 0.39 1.75 0.00 -2.12 0.00 0.00 175.29 175.44 2dmx h ALA 19 N 2.70 1.21 0.00 6.09 0.00 -2.01 0.48 119.26 127.73 2dmx h ALA 19 Ca -0.44 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2dmx h ALA 19 Cb 1.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2dmx h ALA 19 CO 0.54 -0.15 0.01 0.77 0.00 0.00 0.00 179.25 180.43 2dmx h SER 20 N 0.54 0.00 -2.88 0.00 0.02 -2.07 -3.43 113.55 105.73 2dmx h SER 20 Ca 0.45 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 61.00 2dmx h SER 20 Cb 0.67 0.00 0.21 0.00 0.14 0.00 0.00 62.40 63.42 2dmx h SER 20 CO -0.39 0.00 -0.21 0.00 -1.14 0.00 0.00 176.83 175.09 2dmx n ALA 21 N -1.83 -3.84 -2.93 3.77 0.00 0.17 -5.02 120.51 110.83 2dmx n ALA 21 Ca -0.02 -1.50 -0.21 0.00 0.00 0.00 0.00 53.44 51.71 2dmx n ALA 21 Cb 0.05 -1.72 -0.02 0.00 0.00 0.00 0.00 19.45 17.76 2dmx n ALA 21 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dmx s SER 22 N -2.54 6.32 0.45 0.00 0.01 -1.26 -5.00 113.70 111.68 2dmx s SER 22 Ca 0.65 0.12 0.31 0.00 1.31 0.00 0.00 55.95 58.34 2dmx s SER 22 Cb -0.18 -1.88 1.27 0.00 0.21 0.00 0.00 66.02 65.43 2dmx s SER 22 CO 0.61 -0.10 1.90 1.55 0.41 0.00 0.00 173.24 177.61 2dmx h PRO 23 N 1.11 0.00 0.00 12.44 0.13 -1.95 -2.73 132.00 140.99 2dmx h PRO 23 Ca -0.52 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.38 2dmx h PRO 23 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2dmx h PRO 23 CO 0.61 0.00 -1.87 0.39 -0.23 0.00 0.00 178.00 176.90 2dmx n GLU 24 N -2.80 0.65 0.17 0.86 -0.58 -1.26 -3.82 120.64 113.86 2dmx n GLU 24 Ca 0.01 0.09 0.04 0.00 -0.42 0.00 0.00 57.16 56.89 2dmx n GLU 24 Cb 0.27 -1.67 0.20 0.00 -0.57 0.00 0.00 31.44 29.68 2dmx n GLU 24 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2dmx h ASP 25 N 0.00 0.00 0.54 1.62 3.32 -1.91 -2.17 116.42 117.82 2dmx h ASP 25 Ca -0.29 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.50 2dmx h ASP 25 Cb 1.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.34 2dmx h ASP 25 CO 0.04 0.45 -1.15 0.40 -1.72 0.00 0.00 179.24 177.26 2dmx h ILE 26 N 0.00 1.47 -0.01 0.35 2.04 -1.65 -2.94 117.51 116.76 2dmx h ILE 26 Ca -0.00 -2.86 -0.16 0.00 1.00 0.00 0.00 64.86 62.84 2dmx h ILE 26 Cb 1.12 2.78 0.01 0.00 -0.74 0.00 0.00 36.82 39.99 2dmx h ILE 26 CO 0.06 0.84 -0.60 0.07 0.00 0.00 0.00 178.15 178.52 2dmx h LYS 27 N 0.12 0.43 0.00 2.37 2.10 -1.65 -2.75 116.57 117.19 2dmx h LYS 27 Ca -0.12 -0.44 -0.02 0.00 -2.00 0.00 0.00 60.65 58.07 2dmx h LYS 27 Cb 1.84 0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 33.29 2dmx h LYS 27 CO 0.19 1.10 -0.10 1.57 -2.00 0.00 0.00 179.45 180.21 2dmx h LYS 28 N -0.07 0.00 0.04 0.07 5.09 -1.50 -2.63 116.57 117.58 2dmx h LYS 28 Ca -0.07 0.00 -0.18 0.00 0.09 0.00 0.00 60.65 60.49 2dmx h LYS 28 Cb 1.30 0.00 0.02 0.00 0.10 0.00 0.00 32.23 33.65 2dmx h LYS 28 CO 0.12 0.10 -0.73 0.00 -2.09 0.00 0.00 179.45 176.85 2dmx h ALA 29 N 1.90 0.03 -0.23 0.07 0.00 -1.51 -3.33 119.26 116.19 2dmx h ALA 29 Ca -0.00 -0.62 0.06 0.00 0.00 0.00 0.00 54.91 54.34 2dmx h ALA 29 Cb 0.23 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 2dmx h ALA 29 CO 0.01 0.40 -0.15 -0.92 0.00 0.00 0.00 179.25 178.59 2dmx h TYR 30 N -0.11 -0.38 -0.76 0.00 5.03 -1.16 -1.08 116.97 118.51 2dmx h TYR 30 Ca -0.10 0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.31 2dmx h TYR 30 Cb 1.46 0.20 -0.10 0.00 1.55 0.00 0.00 36.73 39.84 2dmx h TYR 30 CO 0.15 -0.22 -0.58 0.00 -1.32 0.00 0.00 178.16 176.20 2dmx h ARG 31 N -0.14 -0.15 -0.53 1.82 3.08 -1.63 0.28 114.38 117.10 2dmx h ARG 31 Ca 0.13 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.22 2dmx h ARG 31 Cb 0.34 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.38 2dmx h ARG 31 CO -0.32 -0.10 0.30 0.87 -1.07 0.00 0.00 179.97 179.66 2dmx h LYS 32 N -0.16 0.58 0.27 0.04 1.79 -1.59 -3.00 116.57 114.50 2dmx h LYS 32 Ca 0.12 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2dmx h LYS 32 Cb 0.48 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.96 2dmx h LYS 32 CO -0.80 0.39 -0.49 -0.07 -1.08 0.00 0.00 179.45 177.39 2dmx h LEU 33 N 0.60 -1.42 -0.77 2.94 3.38 0.42 -0.68 115.31 119.78 2dmx h LEU 33 Ca 0.22 0.14 0.31 0.00 0.09 0.00 0.00 57.88 58.64 2dmx h LEU 33 Cb 0.06 0.51 -0.14 0.00 0.09 0.00 0.00 40.66 41.18 2dmx h LEU 33 CO -0.11 -0.58 0.37 0.00 0.09 0.00 0.00 178.44 178.20 2dmx n ALA 34 N -2.86 0.75 0.13 1.53 0.00 0.74 0.24 120.51 121.03 2dmx n ALA 34 Ca -0.10 0.79 -0.22 0.00 0.00 0.00 0.00 53.44 53.91 2dmx n ALA 34 Cb 0.42 -0.76 -0.15 0.00 0.00 0.00 0.00 19.45 18.96 2dmx n ALA 34 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dmx h LEU 35 N 0.00 0.76 0.08 0.00 3.38 -1.33 -2.71 115.31 115.49 2dmx h LEU 35 Ca 0.63 -0.79 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2dmx h LEU 35 Cb 1.64 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2dmx h LEU 35 CO -0.61 1.61 -0.04 -0.09 0.09 0.00 0.00 178.44 179.41 2dmx h ARG 36 N 0.16 -0.10 -0.47 1.13 1.12 0.45 -2.10 114.38 114.56 2dmx h ARG 36 Ca -0.22 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.66 2dmx h ARG 36 Cb 2.07 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 32.06 2dmx h ARG 36 CO 0.25 -0.02 0.00 0.91 -3.11 0.00 0.00 179.97 178.01 2dmx n TRP 37 N -5.11 0.43 -2.08 2.20 7.02 0.64 -4.87 117.44 115.67 2dmx n TRP 37 Ca -0.08 -0.18 -0.41 0.00 -1.02 0.00 0.00 57.50 55.82 2dmx n TRP 37 Cb 0.09 -0.09 -0.02 0.00 -2.42 0.00 0.00 31.31 28.87 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 -1.64 3.00 0.16 -5.99 2.46 -0.79 -4.12 115.29 108.37 2dmx s HIS 38 Ca 0.15 1.37 -0.09 0.00 0.47 0.00 0.00 55.06 56.97 2dmx s HIS 38 Cb 0.10 -3.72 0.01 0.00 -0.13 0.00 0.00 32.58 28.83 2dmx s HIS 38 CO 0.08 -2.01 1.50 -1.00 -2.47 0.00 0.00 174.74 170.84 2dmx h PRO 39 N 3.41 0.87 -0.49 2.88 0.13 -1.83 -2.87 132.00 134.10 2dmx h PRO 39 Ca -0.49 -0.46 -0.09 0.00 -0.87 0.00 0.00 66.00 64.09 2dmx h PRO 39 Cb 1.23 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2dmx h PRO 39 CO 0.66 1.10 -0.05 0.22 -0.23 0.00 0.00 178.00 179.69 2dmx h ASP 40 N 0.71 0.83 1.00 1.44 1.82 -1.92 -2.34 116.42 117.96 2dmx h ASP 40 Ca 0.06 -0.23 -0.01 0.00 -0.39 0.00 0.00 57.03 56.46 2dmx h ASP 40 Cb 0.97 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.76 2dmx h ASP 40 CO 0.09 0.93 -0.03 0.11 -1.61 0.00 0.00 179.24 178.73 2dmx h LYS 41 N 0.78 0.00 -4.40 0.28 1.79 -1.84 -3.38 116.57 109.78 2dmx h LYS 41 Ca 0.14 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 57.89 2dmx h LYS 41 Cb 0.54 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 30.89 2dmx h LYS 41 CO 0.03 0.03 -0.46 -0.80 -1.08 0.00 0.00 179.45 177.17 2dmx s ASN 42 N -5.76 5.56 -0.02 0.86 0.01 -0.88 -4.96 114.94 109.74 2dmx s ASN 42 Ca 0.01 -1.78 -0.26 0.00 -0.71 0.00 0.00 52.86 50.13 2dmx s ASN 42 Cb 0.09 -1.95 -0.20 0.00 0.41 0.00 0.00 41.25 39.60 2dmx s ASN 42 CO 0.56 -0.60 1.25 1.55 -1.51 0.00 0.00 177.10 178.35 2dmx h PRO 43 N 8.34 -0.03 0.07 -0.60 0.13 -1.76 -3.26 132.00 134.89 2dmx h PRO 43 Ca -0.20 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.95 2dmx h PRO 43 Cb 1.07 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.16 2dmx h PRO 43 CO 0.78 0.45 -0.44 -0.44 -0.23 0.00 0.00 178.00 178.12 2dmx h ASP 44 N -0.52 -1.30 -3.85 1.44 3.32 -1.93 -3.38 116.42 110.20 2dmx h ASP 44 Ca -0.00 0.15 -0.67 0.00 0.02 0.00 0.00 57.03 56.53 2dmx h ASP 44 Cb 0.49 0.50 -0.37 0.00 0.22 0.00 0.00 39.33 40.16 2dmx h ASP 44 CO 0.01 -0.49 -0.79 0.54 -1.72 0.00 0.00 179.24 176.79 2dmx s ASN 45 N -4.73 4.50 -0.19 6.45 4.22 -1.25 -4.98 114.94 118.95 2dmx s ASN 45 Ca -0.16 -1.46 -0.16 0.00 -2.14 0.00 0.00 52.86 48.93 2dmx s ASN 45 Cb 0.08 -1.57 -0.11 0.00 1.28 0.00 0.00 41.25 40.93 2dmx s ASN 45 CO 0.63 -0.21 -0.06 0.29 -2.04 0.00 0.00 177.10 175.71 2dmx n LYS 46 N 4.42 0.53 0.35 3.55 4.01 -1.23 -4.08 118.16 125.71 2dmx n LYS 46 Ca -0.12 0.47 -0.15 0.00 -0.51 0.00 0.00 58.31 58.00 2dmx n LYS 46 Cb 0.42 -1.66 -0.07 0.00 -0.51 0.00 0.00 35.03 33.21 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 -0.89 -0.86 1.97 4.57 -1.91 -2.09 114.58 114.37 2dmx h GLU 47 Ca -0.25 0.06 0.08 0.00 -1.18 0.00 0.00 59.36 58.07 2dmx h GLU 47 Cb 1.06 0.20 -0.11 0.00 -0.16 0.00 0.00 28.75 29.75 2dmx h GLU 47 CO -0.15 -0.60 -0.49 -1.91 -1.18 0.00 0.00 179.01 174.68 2dmx n GLU 48 N -4.64 -0.36 -0.29 1.92 2.13 -1.26 0.11 120.64 118.25 2dmx n GLU 48 Ca -0.11 1.31 0.06 0.00 0.66 0.00 0.00 57.16 59.08 2dmx n GLU 48 Cb 0.38 -1.93 0.21 0.00 0.27 0.00 0.00 31.44 30.37 2dmx n GLU 48 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dmx h ALA 49 N 0.51 1.22 -0.30 4.31 0.00 -1.69 -1.95 119.26 121.35 2dmx h ALA 49 Ca 0.15 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.22 2dmx h ALA 49 Cb 0.37 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 2dmx h ALA 49 CO -0.82 -0.10 -0.25 1.49 0.00 0.00 0.00 179.25 179.58 2dmx h GLU 50 N 0.60 -0.22 -0.66 0.00 4.81 0.15 -2.36 114.58 116.90 2dmx h GLU 50 Ca 0.44 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.76 2dmx h GLU 50 Cb 0.62 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.95 2dmx h GLU 50 CO -0.36 -0.15 -0.56 -0.22 -0.73 0.00 0.00 179.01 177.00 2dmx h LYS 51 N -0.23 -0.21 -0.87 1.92 1.63 -0.70 0.23 116.57 118.33 2dmx h LYS 51 Ca 0.15 0.01 0.20 0.00 -0.85 0.00 0.00 60.65 60.16 2dmx h LYS 51 Cb 0.47 0.05 -0.11 0.00 -0.60 0.00 0.00 32.23 32.03 2dmx h LYS 51 CO -0.43 -0.14 0.39 0.87 -3.45 0.00 0.00 179.45 176.69 2dmx h LYS 52 N -0.22 0.44 -0.91 1.90 1.79 -1.44 -0.57 116.57 117.56 2dmx h LYS 52 Ca 0.12 -0.03 0.23 0.00 -2.18 0.00 0.00 60.65 58.79 2dmx h LYS 52 Cb 0.52 -0.10 -0.17 0.00 -1.58 0.00 0.00 32.23 30.91 2dmx h LYS 52 CO -0.75 0.29 0.00 0.35 -1.08 0.00 0.00 179.45 178.27 2dmx h PHE 53 N 0.46 -0.07 -0.55 -1.35 3.57 -0.05 0.59 116.94 119.53 2dmx h PHE 53 Ca 0.52 0.07 -0.02 0.00 3.53 0.00 0.00 57.97 62.07 2dmx h PHE 53 Cb 0.92 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 2dmx h PHE 53 CO -0.13 -0.36 0.27 -0.22 -2.23 0.00 0.00 178.31 175.64 2dmx h LYS 54 N 0.05 0.79 -0.53 1.11 1.63 -1.01 -2.07 116.57 116.53 2dmx h LYS 54 Ca 0.53 -0.11 -0.03 0.00 -0.85 0.00 0.00 60.65 60.19 2dmx h LYS 54 Cb 1.01 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.48 2dmx h LYS 54 CO -0.84 0.64 0.23 -0.07 -3.45 0.00 0.00 179.45 175.96 2dmx h LEU 55 N 0.75 0.72 -0.80 5.20 -0.00 0.05 0.78 115.31 122.01 2dmx h LEU 55 Ca 0.19 -0.15 0.03 0.00 -0.00 0.00 0.00 57.88 57.94 2dmx h LEU 55 Cb 0.10 -0.19 -0.05 0.00 -0.00 0.00 0.00 40.66 40.53 2dmx h LEU 55 CO -0.03 0.68 0.52 0.58 -0.00 0.00 0.00 178.44 180.19 2dmx h VAL 56 N 0.72 1.14 -0.04 1.22 2.07 -0.39 0.28 116.25 121.25 2dmx h VAL 56 Ca 0.18 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 2dmx h VAL 56 Cb 0.17 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2dmx h VAL 56 CO -0.02 0.19 -0.10 0.77 0.02 0.00 0.00 177.57 178.43 2dmx h SER 57 N 1.02 0.16 0.55 0.57 4.64 -1.12 -2.14 113.55 117.23 2dmx h SER 57 Ca 0.31 -0.59 -0.03 0.00 -0.47 0.00 0.00 61.79 61.02 2dmx h SER 57 Cb -0.02 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2dmx h SER 57 CO -0.10 0.71 -0.27 -0.08 -0.87 0.00 0.00 176.83 176.23 2dmx h GLU 58 N -0.39 -0.71 -0.06 4.77 4.81 -0.66 -2.99 114.58 119.34 2dmx h GLU 58 Ca -0.00 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2dmx h GLU 58 Cb 0.69 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.19 2dmx h GLU 58 CO 0.02 -0.47 -0.23 0.00 -0.73 0.00 0.00 179.01 177.60 2dmx h ALA 59 N -0.28 -0.25 -0.99 2.92 0.00 -0.54 -0.47 119.26 119.65 2dmx h ALA 59 Ca -0.07 0.02 0.37 0.00 0.00 0.00 0.00 54.91 55.22 2dmx h ALA 59 Cb 0.57 0.43 -0.17 0.00 0.00 0.00 0.00 17.79 18.61 2dmx h ALA 59 CO 0.12 -0.71 0.42 -0.92 0.00 0.00 0.00 179.25 178.16 2dmx h TYR 60 N -0.33 0.63 0.01 0.00 3.20 -1.32 0.25 116.97 119.41 2dmx h TYR 60 Ca 0.08 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 2dmx h TYR 60 Cb 0.44 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.61 2dmx h TYR 60 CO -0.30 -0.41 -0.18 0.93 -1.64 0.00 0.00 178.16 176.56 2dmx h GLU 61 N 0.06 0.10 -1.08 1.82 4.39 -1.16 -0.66 114.58 118.05 2dmx h GLU 61 Ca 0.77 -0.12 0.29 0.00 0.34 0.00 0.00 59.36 60.63 2dmx h GLU 61 Cb 1.89 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 30.50 2dmx h GLU 61 CO -0.77 0.93 0.72 0.28 -1.16 0.00 0.00 179.01 179.00 2dmx h VAL 62 N -0.67 0.48 0.04 3.13 2.07 1.00 -0.50 116.25 121.80 2dmx h VAL 62 Ca -0.03 -0.09 -0.25 0.00 0.82 0.00 0.00 66.70 67.15 2dmx h VAL 62 Cb 1.00 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2dmx h VAL 62 CO 0.03 0.05 -1.36 -0.07 0.02 0.00 0.00 177.57 176.25 2dmx h LEU 63 N 0.27 0.15 -0.97 2.57 3.38 -1.09 0.16 115.31 119.77 2dmx h LEU 63 Ca 0.59 -0.68 0.26 0.00 0.09 0.00 0.00 57.88 58.14 2dmx h LEU 63 Cb 1.75 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 42.32 2dmx h LEU 63 CO -0.23 1.56 0.52 0.77 0.09 0.00 0.00 178.44 181.15 2dmx h SER 64 N -0.68 0.52 -4.28 -0.43 4.64 -0.17 -3.40 113.55 109.75 2dmx h SER 64 Ca -0.34 0.16 -0.49 0.00 -0.47 0.00 0.00 61.79 60.65 2dmx h SER 64 Cb 1.51 0.10 0.11 0.00 -0.31 0.00 0.00 62.40 63.80 2dmx h SER 64 CO -0.10 0.00 0.33 -1.81 -0.87 0.00 0.00 176.83 174.39 2dmx s ASP 65 N -5.11 4.51 -0.22 4.97 1.01 -0.28 -4.99 116.67 116.55 2dmx s ASP 65 Ca -0.11 1.35 -0.16 0.00 0.71 0.00 0.00 52.55 54.34 2dmx s ASP 65 Cb 0.27 -2.09 -0.18 0.00 1.01 0.00 0.00 42.92 41.94 2dmx s ASP 65 CO 0.79 -1.96 0.04 -1.54 0.21 0.00 0.00 175.17 172.70 2dmx n SER 66 N -3.43 1.94 -0.11 0.27 3.41 -1.26 -2.95 113.62 111.49 2dmx n SER 66 Ca 0.07 0.33 -0.02 0.00 -0.26 0.00 0.00 58.87 58.99 2dmx n SER 66 Cb 0.56 -0.87 0.22 0.00 -0.26 0.00 0.00 64.21 63.86 2dmx n SER 66 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2dmx h LYS 67 N -0.77 0.78 0.00 4.33 2.10 -1.95 0.27 116.57 121.33 2dmx h LYS 67 Ca -0.48 -0.15 -0.04 0.00 -2.00 0.00 0.00 60.65 57.98 2dmx h LYS 67 Cb 1.55 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.76 2dmx h LYS 67 CO -0.22 0.69 -0.15 0.87 -2.00 0.00 0.00 179.45 178.64 2dmx h LYS 68 N 0.75 0.09 -0.44 0.07 1.57 -1.76 -1.43 116.57 115.43 2dmx h LYS 68 Ca 0.17 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2dmx h LYS 68 Cb 0.26 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2dmx h LYS 68 CO -0.00 0.89 0.20 -0.09 -0.57 0.00 0.00 179.45 179.87 2dmx h ARG 69 N -0.65 0.64 0.02 3.15 2.43 -0.57 -0.97 114.38 118.42 2dmx h ARG 69 Ca -0.02 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2dmx h ARG 69 Cb 0.94 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2dmx h ARG 69 CO 0.03 0.56 -0.01 1.03 -1.51 0.00 0.00 179.97 180.07 2dmx h SER 70 N 0.57 -0.02 -0.45 -3.80 0.87 -0.56 -1.92 113.55 108.23 2dmx h SER 70 Ca 0.15 -0.34 0.07 0.00 -1.23 0.00 0.00 61.79 60.44 2dmx h SER 70 Cb 0.14 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.04 2dmx h SER 70 CO -0.02 0.33 0.09 -0.07 -0.53 0.00 0.00 176.83 176.64 2dmx h LEU 71 N -0.37 0.01 -1.31 2.23 3.38 -1.20 0.21 115.31 118.25 2dmx h LEU 71 Ca -0.00 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2dmx h LEU 71 Cb 0.36 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2dmx h LEU 71 CO 0.00 0.04 0.13 0.22 0.09 0.00 0.00 178.44 178.92 2dmx h TYR 72 N 0.22 0.60 0.27 1.13 3.20 -1.16 0.17 116.97 121.41 2dmx h TYR 72 Ca 0.22 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 2dmx h TYR 72 Cb 0.28 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.37 2dmx h TYR 72 CO -0.21 0.50 -0.13 0.22 -1.64 0.00 0.00 178.16 176.89 2dmx h ASP 73 N 0.59 -0.31 -0.90 -2.11 1.82 -0.34 -2.28 116.42 112.89 2dmx h ASP 73 Ca 0.14 -0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 2dmx h ASP 73 Cb 0.18 0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.22 2dmx h ASP 73 CO -0.01 0.15 0.58 0.08 -1.61 0.00 0.00 179.24 178.43 2dmx h ARG 74 N -0.90 1.20 0.76 0.28 0.11 -0.57 -3.12 114.38 112.15 2dmx h ARG 74 Ca -0.04 -0.09 -0.04 0.00 0.10 0.00 0.00 59.98 59.92 2dmx h ARG 74 Cb 0.51 -0.26 0.00 0.00 1.11 0.00 0.00 29.97 31.33 2dmx h ARG 74 CO 0.06 0.81 -0.43 0.00 0.10 0.00 0.00 179.97 180.52 2dmx h ALA 75 N 1.32 -1.26 -0.67 0.08 0.00 -0.73 -3.48 119.26 114.51 2dmx h ALA 75 Ca 0.33 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2dmx h ALA 75 Cb -0.11 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2dmx h ALA 75 CO -0.07 -1.21 0.00 0.41 0.00 0.00 0.00 179.25 178.39 2dmx n GLY 76 N -1.56 0.21 3.27 0.00 0.00 -0.86 -4.86 105.19 101.39 2dmx n GLY 76 Ca -0.14 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.76 1.71 0.58 0.00 -1.08 -1.26 -5.14 116.67 109.73 2dmx s ASP 78 Ca 0.06 -0.20 -0.20 0.00 -0.52 0.00 0.00 52.55 51.69 2dmx s ASP 78 Cb -0.10 -0.33 -0.04 0.00 -1.46 0.00 0.00 42.92 40.99 2dmx s ASP 78 CO 0.04 -0.25 1.30 -0.94 0.52 0.00 0.00 175.17 175.84 2dmx s SER 79 N 2.05 5.09 -0.27 -0.34 1.04 -1.26 -4.95 113.70 115.05 2dmx s SER 79 Ca 0.04 2.64 -0.02 0.00 0.48 0.00 0.00 55.95 59.09 2dmx s SER 79 Cb -0.13 -2.62 0.16 0.00 0.10 0.00 0.00 66.02 63.52 2dmx s SER 79 CO -0.05 -1.68 0.47 0.26 0.98 0.00 0.00 173.24 173.21 2dmx s TRP 80 N -1.39 -1.15 -0.12 5.02 0.52 -1.26 -5.05 118.94 115.51 2dmx s TRP 80 Ca 0.76 1.14 -0.12 0.00 0.02 0.00 0.00 56.10 57.89 2dmx s TRP 80 Cb -0.37 0.22 -0.11 0.00 -1.15 0.00 0.00 33.47 32.06 2dmx s TRP 80 CO 0.42 -0.80 0.31 0.00 0.02 0.00 0.00 176.95 176.90 2dmx h ARG 81 N 8.11 0.00 0.03 4.98 3.08 -1.95 -3.41 114.38 125.22 2dmx h ARG 81 Ca -0.20 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 2dmx h ARG 81 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2dmx h ARG 81 CO 0.26 0.43 -0.02 0.00 -1.07 0.00 0.00 179.97 179.57 2dmx h ALA 82 N -0.59 -0.04 -3.00 0.04 0.00 -2.05 -3.46 119.26 110.16 2dmx h ALA 82 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2dmx h ALA 82 Cb 0.45 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2dmx h ALA 82 CO -0.01 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.55 2dmx n GLY 83 N 1.17 0.39 0.00 0.00 0.00 -1.26 -5.13 105.19 100.36 2dmx n GLY 83 Ca -0.08 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2dmx n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmx n GLY 84 N 4.85 4.82 0.00 -0.02 0.00 -1.26 -4.86 105.19 108.71 2dmx n GLY 84 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 4.60 3.09 -0.02 0.00 -1.26 -4.79 105.19 106.81 2dmx n GLY 85 Ca 0.00 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.91 -0.48 0.15 4.61 0.00 -1.26 -5.17 121.76 117.70 2dmx s ALA 86 Ca 0.00 0.44 0.05 0.00 0.00 0.00 0.00 51.96 52.45 2dmx s ALA 86 Cb 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 2dmx s ALA 86 CO 0.00 -0.12 0.11 0.45 0.00 0.00 0.00 175.76 176.20 2dmx s SER 87 N -0.18 5.45 0.00 0.00 0.15 -1.26 -5.08 113.70 112.77 2dmx s SER 87 Ca -0.03 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2dmx s SER 87 Cb -0.03 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.88 2dmx s SER 87 CO 0.01 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2dmx n GLY 88 N -0.17 1.88 3.62 9.45 0.00 -1.26 -5.11 105.19 113.61 2dmx n GLY 88 Ca -0.09 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 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 4.12 -0.63 0.04 1.61 0.04 -1.26 -5.09 135.00 133.83 2dmx s PRO 89 Ca 0.00 0.15 0.03 0.00 0.04 0.00 0.00 61.00 61.22 2dmx s PRO 89 Cb 0.00 -1.65 -0.02 0.00 0.04 0.00 0.00 34.50 32.87 2dmx s PRO 89 CO 0.00 -3.36 -0.09 0.45 0.04 0.00 0.00 177.00 174.04 2dmx s SER 90 N -3.72 1.03 -0.36 6.66 0.15 -1.26 -5.13 113.70 111.07 2dmx s SER 90 Ca 0.69 -0.45 -0.05 0.00 0.70 0.00 0.00 55.95 56.84 2dmx s SER 90 Cb -0.13 -0.02 0.07 0.00 -1.71 0.00 0.00 66.02 64.23 2dmx s SER 90 CO 0.57 -0.10 0.13 -0.55 1.20 0.00 0.00 173.24 174.49 2dmx s SER 91 N -1.24 5.25 0.00 5.45 0.15 -1.26 -5.33 113.70 116.72 2dmx s SER 91 Ca -0.05 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.14 2dmx s SER 91 Cb -0.08 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 2dmx s SER 91 CO 0.01 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.65