#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmx n SER 2 N 0.00 -5.21 -4.69 1.61 7.64 -1.26 -4.99 113.62 106.73 2dmx n SER 2 Ca 0.00 -0.60 -0.33 0.00 1.01 0.00 0.00 58.87 58.94 2dmx n SER 2 Cb 0.00 -4.83 -0.09 0.00 -1.01 0.00 0.00 64.21 58.28 2dmx n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dmx s SER 3 N -3.54 5.17 -0.17 6.43 0.15 -1.26 -5.11 113.70 115.38 2dmx s SER 3 Ca 0.48 0.04 -0.01 0.00 0.70 0.00 0.00 55.95 57.16 2dmx s SER 3 Cb -0.22 -1.39 0.04 0.00 -1.71 0.00 0.00 66.02 62.75 2dmx s SER 3 CO 0.75 0.31 -0.04 -0.83 1.20 0.00 0.00 173.24 174.62 2dmx s GLY 4 N -1.36 0.95 0.24 9.45 0.00 -1.26 -5.13 107.32 110.21 2dmx s GLY 4 Ca 0.18 -0.84 -0.18 0.00 0.00 0.00 0.00 44.72 43.87 2dmx s GLY 4 CO 0.08 0.98 0.72 -1.35 0.00 0.00 0.00 173.10 173.53 2dmx s SER 5 N 1.64 6.98 -0.03 1.64 1.04 -1.26 -3.99 113.70 119.72 2dmx s SER 5 Ca 0.00 1.37 0.07 0.00 0.48 0.00 0.00 55.95 57.87 2dmx s SER 5 Cb -0.16 -2.40 -0.02 0.00 0.10 0.00 0.00 66.02 63.55 2dmx s SER 5 CO -0.08 -0.02 -0.25 -0.94 0.98 0.00 0.00 173.24 172.94 2dmx s SER 6 N -1.79 2.95 0.04 7.02 1.04 -1.25 -4.06 113.70 117.65 2dmx s SER 6 Ca 0.45 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2dmx s SER 6 Cb -0.15 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.51 2dmx s SER 6 CO 0.20 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.32 2dmx n GLY 7 N 2.60 -2.13 1.70 7.32 0.00 -1.26 -4.30 105.19 109.12 2dmx n GLY 7 Ca -0.16 -1.45 0.07 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.59 4.25 -3.67 1.61 2.81 -1.26 -4.81 117.12 115.45 2dmx n MET 8 Ca 0.00 -2.86 -0.08 0.00 -1.81 0.00 0.00 57.70 52.95 2dmx n MET 8 Cb 0.02 -2.08 -0.09 0.00 -0.71 0.00 0.00 33.22 30.35 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 -2.33 -1.27 -0.34 3.04 0.00 -1.26 -5.13 121.76 114.46 2dmx s ALA 9 Ca 0.50 1.67 -0.21 0.00 0.00 0.00 0.00 51.96 53.92 2dmx s ALA 9 Cb 0.36 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 22.21 2dmx s ALA 9 CO 0.18 -0.62 0.66 -0.80 0.00 0.00 0.00 175.76 175.19 2dmx s ASN 10 N 2.25 6.47 0.26 0.00 0.01 -1.26 -4.85 114.94 117.82 2dmx s ASN 10 Ca -0.05 0.28 -0.12 0.00 -0.71 0.00 0.00 52.86 52.26 2dmx s ASN 10 Cb -0.11 -2.34 0.36 0.00 0.41 0.00 0.00 41.25 39.58 2dmx s ASN 10 CO -0.14 -0.58 1.56 1.88 -1.51 0.00 0.00 177.10 178.31 2dmx h TYR 11 N 8.37 -0.77 -0.47 2.20 0.05 -1.96 0.62 116.97 125.01 2dmx h TYR 11 Ca -0.26 0.10 0.07 0.00 0.05 0.00 0.00 58.73 58.68 2dmx h TYR 11 Cb 1.11 0.49 -0.06 0.00 1.01 0.00 0.00 36.73 39.28 2dmx h TYR 11 CO 0.76 -0.42 0.14 1.88 -1.05 0.00 0.00 178.16 179.47 2dmx h TYR 12 N -0.00 0.25 0.30 4.88 0.05 -1.92 -2.25 116.97 118.28 2dmx h TYR 12 Ca 0.42 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.21 2dmx h TYR 12 Cb 0.67 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.37 2dmx h TYR 12 CO -0.81 0.07 -0.14 0.93 -1.05 0.00 0.00 178.16 177.15 2dmx h GLU 13 N 0.30 -0.39 -0.79 4.88 5.08 -0.22 0.48 114.58 123.92 2dmx h GLU 13 Ca 0.23 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.74 2dmx h GLU 13 Cb 0.26 0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.46 2dmx h GLU 13 CO -0.25 -0.15 -0.39 0.28 -1.00 0.00 0.00 179.01 177.50 2dmx h VAL 14 N -0.58 0.07 -0.16 3.13 2.07 -0.25 -0.51 116.25 120.02 2dmx h VAL 14 Ca -0.04 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.29 2dmx h VAL 14 Cb 0.42 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2dmx h VAL 14 CO 0.07 0.00 -0.65 -0.07 0.02 0.00 0.00 177.57 176.94 2dmx h LEU 15 N -0.09 0.85 -0.48 2.57 3.38 -1.39 -3.49 115.31 116.66 2dmx h LEU 15 Ca 0.27 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2dmx h LEU 15 Cb 0.56 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2dmx h LEU 15 CO -0.83 1.32 0.00 0.61 0.09 0.00 0.00 178.44 179.63 2dmx n GLY 16 N 0.64 0.64 3.47 0.83 0.00 0.16 -4.91 105.19 106.01 2dmx n GLY 16 Ca -0.07 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.79 1.29 0.46 1.61 -7.23 -0.76 -5.03 120.40 108.95 2dmx s VAL 17 Ca 0.00 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 2dmx s VAL 17 Cb 0.00 -2.81 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 2dmx s VAL 17 CO 0.00 -0.01 0.72 -1.10 -0.31 0.00 0.00 175.10 174.41 2dmx s GLN 18 N -3.87 3.35 0.25 4.82 -1.52 -1.26 -4.66 119.66 116.77 2dmx s GLN 18 Ca 0.36 -0.08 -0.04 0.00 -1.95 0.00 0.00 55.36 53.65 2dmx s GLN 18 Cb 0.09 -2.46 0.36 0.00 -0.22 0.00 0.00 33.01 30.77 2dmx s GLN 18 CO 0.16 -0.20 1.87 0.00 -0.25 0.00 0.00 175.29 176.87 2dmx h ALA 19 N 0.32 1.29 -0.48 6.09 0.00 -2.01 -0.50 119.26 123.97 2dmx h ALA 19 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2dmx h ALA 19 Cb 1.22 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2dmx h ALA 19 CO 0.61 0.39 0.00 -1.13 0.00 0.00 0.00 179.25 179.12 2dmx n SER 20 N -4.54 4.28 -4.65 0.00 3.41 -1.26 -4.98 113.62 105.87 2dmx n SER 20 Ca 0.14 -2.53 -0.38 0.00 -0.26 0.00 0.00 58.87 55.83 2dmx n SER 20 Cb 0.16 -0.58 0.05 0.00 -0.26 0.00 0.00 64.21 63.59 2dmx n SER 20 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dmx n ALA 21 N 0.68 0.57 -1.50 7.33 0.00 -0.20 -4.97 120.51 122.43 2dmx n ALA 21 Ca 0.21 0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.39 2dmx n ALA 21 Cb 0.86 -2.18 0.06 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.16 5.18 0.00 0.00 0.01 -1.26 -4.92 113.70 111.55 2dmx s SER 22 Ca 0.75 1.68 0.15 0.00 1.31 0.00 0.00 55.95 59.83 2dmx s SER 22 Cb -0.42 -2.50 0.78 0.00 0.21 0.00 0.00 66.02 64.08 2dmx s SER 22 CO 0.47 -1.58 1.40 -0.81 0.41 0.00 0.00 173.24 173.14 2dmx n PRO 23 N -3.18 0.25 -0.06 12.44 -0.04 -1.26 -2.63 135.00 140.52 2dmx n PRO 23 Ca 0.08 0.12 -0.17 0.00 -0.04 0.00 0.00 63.50 63.49 2dmx n PRO 23 Cb 0.53 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.24 0.69 -0.19 0.54 0.00 -1.26 -3.76 120.64 115.42 2dmx n GLU 24 Ca 0.08 0.19 -0.08 0.00 0.00 0.00 0.00 57.16 57.35 2dmx n GLU 24 Cb 0.11 -1.63 0.02 0.00 0.00 0.00 0.00 31.44 29.94 2dmx n GLU 24 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 2dmx h ASP 25 N 0.03 0.78 -0.64 4.31 3.58 -1.88 -0.03 116.42 122.57 2dmx h ASP 25 Ca -0.48 -0.19 -0.07 0.00 0.42 0.00 0.00 57.03 56.71 2dmx h ASP 25 Cb 2.01 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 42.83 2dmx h ASP 25 CO 0.02 0.76 0.12 0.40 -2.88 0.00 0.00 179.24 177.66 2dmx h ILE 26 N 0.75 1.26 0.54 2.25 2.04 -1.75 0.21 117.51 122.82 2dmx h ILE 26 Ca 0.18 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 2dmx h ILE 26 Cb 0.25 0.67 0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2dmx h ILE 26 CO -0.01 0.37 -0.26 0.50 0.00 0.00 0.00 178.15 178.75 2dmx h LYS 27 N 0.95 -0.70 -0.94 2.37 3.64 -1.60 -1.61 116.57 118.68 2dmx h LYS 27 Ca 0.20 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.77 2dmx h LYS 27 Cb 0.41 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 2dmx h LYS 27 CO 0.01 -0.47 0.60 1.57 -2.27 0.00 0.00 179.45 178.89 2dmx h LYS 28 N -1.06 0.75 -0.16 1.90 5.09 -1.06 -1.50 116.57 120.53 2dmx h LYS 28 Ca -0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 60.65 60.61 2dmx h LYS 28 Cb 0.56 -0.17 -0.01 0.00 0.10 0.00 0.00 32.23 32.71 2dmx h LYS 28 CO 0.12 0.50 0.06 0.00 -2.09 0.00 0.00 179.45 178.05 2dmx h ALA 29 N 1.59 0.21 0.43 0.07 0.00 -0.96 -3.13 119.26 117.47 2dmx h ALA 29 Ca 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2dmx h ALA 29 Cb 0.69 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2dmx h ALA 29 CO -0.24 -0.20 -0.40 -0.92 0.00 0.00 0.00 179.25 177.49 2dmx h TYR 30 N 0.11 -1.11 -0.62 0.00 3.20 -0.27 0.63 116.97 118.92 2dmx h TYR 30 Ca 0.05 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.98 2dmx h TYR 30 Cb 0.17 0.43 -0.07 0.00 1.54 0.00 0.00 36.73 38.80 2dmx h TYR 30 CO -0.01 -0.54 -0.36 0.54 -1.64 0.00 0.00 178.16 176.14 2dmx n ARG 31 N -4.85 -0.27 0.11 1.82 1.74 -0.89 0.11 116.66 114.43 2dmx n ARG 31 Ca -0.10 1.05 -0.13 0.00 -0.77 0.00 0.00 57.85 57.90 2dmx n ARG 31 Cb 0.37 -1.54 -0.07 0.00 -1.02 0.00 0.00 32.46 30.20 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 -0.21 -0.15 5.56 1.79 -1.48 -3.16 116.57 118.92 2dmx h LYS 32 Ca 0.10 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.61 2dmx h LYS 32 Cb 0.25 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.90 2dmx h LYS 32 CO -0.58 -0.14 -0.40 -0.07 -1.08 0.00 0.00 179.45 177.18 2dmx h LEU 33 N -0.22 -1.29 -0.76 2.94 3.38 0.19 0.13 115.31 119.69 2dmx h LEU 33 Ca -0.01 0.16 0.22 0.00 0.09 0.00 0.00 57.88 58.34 2dmx h LEU 33 Cb 0.19 0.51 -0.14 0.00 0.09 0.00 0.00 40.66 41.31 2dmx h LEU 33 CO 0.01 -0.34 0.06 0.00 0.09 0.00 0.00 178.44 178.26 2dmx n ALA 34 N -2.91 0.43 -0.00 1.53 0.00 0.12 0.20 120.51 119.87 2dmx n ALA 34 Ca -0.04 0.81 -0.18 0.00 0.00 0.00 0.00 53.44 54.03 2dmx n ALA 34 Cb 0.27 -0.61 -0.08 0.00 0.00 0.00 0.00 19.45 19.03 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 0.93 0.54 0.00 3.38 -1.14 -2.48 115.31 116.55 2dmx h LEU 35 Ca 0.48 -0.65 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2dmx h LEU 35 Cb 1.03 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.50 2dmx h LEU 35 CO -0.70 1.45 -0.26 -0.09 0.09 0.00 0.00 178.44 178.93 2dmx h ARG 36 N 0.50 -0.70 -0.30 1.13 2.43 0.50 -1.97 114.38 115.96 2dmx h ARG 36 Ca -0.08 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2dmx h ARG 36 Cb 1.50 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.21 2dmx h ARG 36 CO 0.17 -0.47 0.00 0.91 -1.51 0.00 0.00 179.97 179.08 2dmx n TRP 37 N -5.40 0.02 -2.04 2.20 7.02 0.79 -4.84 117.44 115.19 2dmx n TRP 37 Ca -0.12 -0.01 -0.41 0.00 -1.02 0.00 0.00 57.50 55.94 2dmx n TRP 37 Cb 0.30 -0.03 -0.02 0.00 -2.42 0.00 0.00 31.31 29.15 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 -1.71 2.94 0.14 -5.99 2.46 -0.74 -3.88 115.29 108.51 2dmx s HIS 38 Ca 0.01 1.34 -0.11 0.00 0.47 0.00 0.00 55.06 56.77 2dmx s HIS 38 Cb 0.00 -3.77 -0.05 0.00 -0.13 0.00 0.00 32.58 28.64 2dmx s HIS 38 CO 0.00 -2.15 1.47 -1.00 -2.47 0.00 0.00 174.74 170.59 2dmx h PRO 39 N 3.34 0.94 -0.51 2.88 0.13 -1.80 -2.84 132.00 134.14 2dmx h PRO 39 Ca -0.49 -0.50 -0.06 0.00 -0.87 0.00 0.00 66.00 64.08 2dmx h PRO 39 Cb 1.23 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2dmx h PRO 39 CO 0.65 1.15 0.06 0.22 -0.23 0.00 0.00 178.00 179.86 2dmx h ASP 40 N 0.76 0.77 1.09 1.44 1.82 -1.92 -2.08 116.42 118.30 2dmx h ASP 40 Ca 0.06 -0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 56.52 2dmx h ASP 40 Cb 0.98 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.79 2dmx h ASP 40 CO 0.10 0.80 -0.06 0.11 -1.61 0.00 0.00 179.24 178.57 2dmx h LYS 41 N 0.77 0.00 -4.41 0.28 1.79 -1.84 -3.39 116.57 109.78 2dmx h LYS 41 Ca 0.16 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 57.92 2dmx h LYS 41 Cb 0.38 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 30.73 2dmx h LYS 41 CO 0.01 0.06 -0.46 -0.80 -1.08 0.00 0.00 179.45 177.18 2dmx s ASN 42 N -5.89 5.55 -0.02 0.86 0.01 -0.78 -4.96 114.94 109.71 2dmx s ASN 42 Ca 0.02 -1.78 -0.25 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 0.58 -0.59 1.23 1.55 -1.51 0.00 0.00 177.10 178.36 2dmx h PRO 43 N 8.33 -0.06 0.19 -0.60 0.13 -1.77 -3.26 132.00 134.97 2dmx h PRO 43 Ca -0.20 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.95 2dmx h PRO 43 Cb 1.07 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 2dmx h PRO 43 CO 0.78 0.41 -0.43 -0.44 -0.23 0.00 0.00 178.00 178.09 2dmx h ASP 44 N -0.55 -1.24 -3.81 1.44 5.19 -1.93 -3.38 116.42 112.14 2dmx h ASP 44 Ca -0.01 0.13 -0.67 0.00 -0.62 0.00 0.00 57.03 55.86 2dmx h ASP 44 Cb 0.49 0.45 -0.36 0.00 0.18 0.00 0.00 39.33 40.10 2dmx h ASP 44 CO 0.01 -0.52 -0.75 0.54 -3.12 0.00 0.00 179.24 175.40 2dmx s ASN 45 N -4.65 4.65 -0.20 6.45 4.22 -1.25 -4.97 114.94 119.17 2dmx s ASN 45 Ca -0.17 -1.43 -0.17 0.00 -2.14 0.00 0.00 52.86 48.96 2dmx s ASN 45 Cb 0.07 -1.62 -0.12 0.00 1.28 0.00 0.00 41.25 40.85 2dmx s ASN 45 CO 0.63 -0.24 -0.06 0.29 -2.04 0.00 0.00 177.10 175.68 2dmx n LYS 46 N 4.49 0.54 0.37 3.55 5.02 -1.23 -4.09 118.16 126.81 2dmx n LYS 46 Ca -0.12 0.46 -0.19 0.00 -2.02 0.00 0.00 58.31 56.45 2dmx n LYS 46 Cb 0.42 -1.65 -0.09 0.00 -0.02 0.00 0.00 35.03 33.69 2dmx n LYS 46 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2dmx h GLU 47 N -1.00 -1.01 -0.99 1.97 4.81 -1.91 -0.19 114.58 116.27 2dmx h GLU 47 Ca -0.31 0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2dmx h GLU 47 Cb 1.15 0.23 -0.13 0.00 0.63 0.00 0.00 28.75 30.63 2dmx h GLU 47 CO -0.19 -0.68 -0.53 1.49 -0.73 0.00 0.00 179.01 178.38 2dmx h GLU 48 N -1.05 -0.01 -0.86 1.92 4.81 -1.99 0.43 114.58 117.83 2dmx h GLU 48 Ca -0.08 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2dmx h GLU 48 Cb 0.86 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.20 2dmx h GLU 48 CO 0.05 -0.01 0.56 0.00 -0.73 0.00 0.00 179.01 178.89 2dmx h ALA 49 N 0.73 1.12 -0.58 2.92 0.00 -1.68 -2.69 119.26 119.08 2dmx h ALA 49 Ca 0.21 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.19 2dmx h ALA 49 Cb 0.47 -0.32 -0.11 0.00 0.00 0.00 0.00 17.79 17.82 2dmx h ALA 49 CO -0.95 0.44 -0.15 1.49 0.00 0.00 0.00 179.25 180.09 2dmx h GLU 50 N 1.12 -0.01 0.18 0.00 4.81 0.17 -1.23 114.58 119.63 2dmx h GLU 50 Ca 0.33 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.58 2dmx h GLU 50 Cb -0.06 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 2dmx h GLU 50 CO -0.09 -0.01 -0.31 -0.22 -0.73 0.00 0.00 179.01 177.65 2dmx h LYS 51 N -0.01 -0.55 -1.01 1.92 3.11 -0.98 -1.68 116.57 117.37 2dmx h LYS 51 Ca 0.28 0.04 0.25 0.00 -2.81 0.00 0.00 60.65 58.40 2dmx h LYS 51 Cb 0.43 0.13 -0.10 0.00 -1.00 0.00 0.00 32.23 31.69 2dmx h LYS 51 CO -0.60 -0.37 0.64 0.87 -2.81 0.00 0.00 179.45 177.18 2dmx h LYS 52 N -0.58 0.46 -0.94 1.90 1.79 -1.25 0.26 116.57 118.21 2dmx h LYS 52 Ca 0.02 -0.03 0.10 0.00 -2.18 0.00 0.00 60.65 58.55 2dmx h LYS 52 Cb 0.58 -0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 31.05 2dmx h LYS 52 CO -0.14 0.30 0.60 0.35 -1.08 0.00 0.00 179.45 179.48 2dmx h PHE 53 N 0.47 1.04 -0.16 -1.35 3.57 -0.28 -0.02 116.94 120.22 2dmx h PHE 53 Ca 0.58 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.90 2dmx h PHE 53 Cb 1.34 -0.34 0.01 0.00 2.79 0.00 0.00 35.95 39.75 2dmx h PHE 53 CO -0.00 0.48 -0.74 -0.22 -2.23 0.00 0.00 178.31 175.60 2dmx h LYS 54 N 0.97 0.73 -0.46 1.11 3.11 -0.39 -2.59 116.57 119.04 2dmx h LYS 54 Ca 0.43 -0.57 -0.02 0.00 -2.81 0.00 0.00 60.65 57.68 2dmx h LYS 54 Cb 0.38 0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.70 2dmx h LYS 54 CO -0.19 1.19 0.20 -0.07 -2.81 0.00 0.00 179.45 177.76 2dmx h LEU 55 N 0.51 0.63 -1.30 5.20 -0.00 -0.80 -0.11 115.31 119.44 2dmx h LEU 55 Ca -0.04 -0.16 -0.07 0.00 -0.00 0.00 0.00 57.88 57.61 2dmx h LEU 55 Cb 1.35 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.84 2dmx h LEU 55 CO 0.15 0.61 -0.34 1.62 -0.00 0.00 0.00 178.44 180.48 2dmx h VAL 56 N 0.60 1.25 0.01 1.22 3.04 -1.07 0.18 116.25 121.48 2dmx h VAL 56 Ca 0.16 -1.17 -0.23 0.00 -1.01 0.00 0.00 66.70 64.44 2dmx h VAL 56 Cb 0.17 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 2dmx h VAL 56 CO -0.01 0.34 -0.97 0.77 -1.01 0.00 0.00 177.57 176.68 2dmx h SER 57 N 0.02 0.52 0.09 3.17 4.64 -1.04 -2.65 113.55 118.31 2dmx h SER 57 Ca 0.00 -0.43 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2dmx h SER 57 Cb 0.61 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2dmx h SER 57 CO 0.04 1.24 -0.04 -0.08 -0.87 0.00 0.00 176.83 177.12 2dmx h GLU 58 N 0.21 -0.11 -0.74 4.77 4.81 -0.76 -3.18 114.58 119.57 2dmx h GLU 58 Ca -0.08 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.27 2dmx h GLU 58 Cb 1.61 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.94 2dmx h GLU 58 CO 0.17 0.36 0.35 0.00 -0.73 0.00 0.00 179.01 179.16 2dmx h ALA 59 N -0.39 1.04 -0.93 2.92 0.00 -1.10 0.22 119.26 121.02 2dmx h ALA 59 Ca -0.01 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.08 2dmx h ALA 59 Cb 0.53 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 2dmx h ALA 59 CO 0.02 -0.09 0.56 -0.92 0.00 0.00 0.00 179.25 178.82 2dmx h TYR 60 N 0.57 1.01 0.01 0.00 3.20 -1.58 -0.66 116.97 119.53 2dmx h TYR 60 Ca 0.38 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.22 2dmx h TYR 60 Cb 0.47 -0.32 0.01 0.00 1.54 0.00 0.00 36.73 38.43 2dmx h TYR 60 CO -0.12 0.40 -0.24 0.93 -1.64 0.00 0.00 178.16 177.49 2dmx h GLU 61 N 0.90 0.15 -0.99 1.82 5.08 -1.15 -0.38 114.58 120.00 2dmx h GLU 61 Ca 0.45 -0.17 0.21 0.00 -1.00 0.00 0.00 59.36 58.85 2dmx h GLU 61 Cb 0.43 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.64 2dmx h GLU 61 CO -0.26 0.94 0.62 0.28 -1.00 0.00 0.00 179.01 179.59 2dmx h VAL 62 N -0.58 0.66 0.07 3.13 2.07 -0.26 -2.10 116.25 119.24 2dmx h VAL 62 Ca -0.03 -0.22 -0.18 0.00 0.82 0.00 0.00 66.70 67.08 2dmx h VAL 62 Cb 1.04 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2dmx h VAL 62 CO 0.05 0.12 -0.91 -0.07 0.02 0.00 0.00 177.57 176.78 2dmx h LEU 63 N 0.64 0.25 -0.99 2.57 3.38 -1.19 -0.59 115.31 119.37 2dmx h LEU 63 Ca 0.57 -0.85 0.37 0.00 0.09 0.00 0.00 57.88 58.06 2dmx h LEU 63 Cb 1.06 -0.08 -0.17 0.00 0.09 0.00 0.00 40.66 41.55 2dmx h LEU 63 CO -0.35 1.40 0.45 0.77 0.09 0.00 0.00 178.44 180.80 2dmx h SER 64 N -0.60 0.21 -4.30 -0.43 4.64 -0.42 -3.40 113.55 109.25 2dmx h SER 64 Ca -0.20 0.25 -0.50 0.00 -0.47 0.00 0.00 61.79 60.87 2dmx h SER 64 Cb 1.47 0.28 0.11 0.00 -0.31 0.00 0.00 62.40 63.96 2dmx h SER 64 CO 0.02 -0.36 0.34 -1.81 -0.87 0.00 0.00 176.83 174.15 2dmx s ASP 65 N -4.69 4.75 -0.17 4.97 1.11 -0.90 -5.00 116.67 116.75 2dmx s ASP 65 Ca -0.10 1.42 -0.04 0.00 0.18 0.00 0.00 52.55 54.01 2dmx s ASP 65 Cb 0.32 -2.20 -0.23 0.00 1.07 0.00 0.00 42.92 41.88 2dmx s ASP 65 CO 0.78 -1.82 0.15 -1.20 1.18 0.00 0.00 175.17 174.27 2dmx n SER 66 N -3.35 2.08 -0.03 0.27 7.64 -1.26 -3.13 113.62 115.84 2dmx n SER 66 Ca 0.07 0.09 -0.15 0.00 1.01 0.00 0.00 58.87 59.89 2dmx n SER 66 Cb 0.55 -0.71 -0.04 0.00 -1.01 0.00 0.00 64.21 63.01 2dmx n SER 66 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2dmx h LYS 67 N 0.04 0.75 -0.05 1.43 5.09 -1.94 -1.43 116.57 120.46 2dmx h LYS 67 Ca -0.48 -0.56 -0.04 0.00 0.09 0.00 0.00 60.65 59.66 2dmx h LYS 67 Cb 1.98 0.10 0.00 0.00 0.10 0.00 0.00 32.23 34.41 2dmx h LYS 67 CO 0.02 1.18 -0.14 0.87 -2.09 0.00 0.00 179.45 179.29 2dmx h LYS 68 N 0.53 0.19 -0.29 0.07 1.57 -1.76 -1.15 116.57 115.73 2dmx h LYS 68 Ca -0.03 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2dmx h LYS 68 Cb 1.30 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 2dmx h LYS 68 CO 0.14 0.74 0.15 -0.09 -0.57 0.00 0.00 179.45 179.82 2dmx h ARG 69 N -0.33 0.40 0.12 3.15 2.43 -1.04 0.00 114.38 119.11 2dmx h ARG 69 Ca -0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2dmx h ARG 69 Cb 0.75 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2dmx h ARG 69 CO 0.03 0.36 -0.06 0.77 -1.51 0.00 0.00 179.97 179.56 2dmx h SER 70 N 0.34 -0.14 -0.22 -3.80 0.02 -1.33 -3.15 113.55 105.27 2dmx h SER 70 Ca 0.10 -0.15 0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2dmx h SER 70 Cb 0.08 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 2dmx h SER 70 CO -0.02 0.07 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.64 2dmx h LEU 71 N -0.34 -0.15 -0.84 5.07 3.38 -1.14 -2.55 115.31 118.73 2dmx h LEU 71 Ca -0.02 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.15 2dmx h LEU 71 Cb 0.28 0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.00 2dmx h LEU 71 CO 0.03 -0.04 -0.29 0.00 0.09 0.00 0.00 178.44 178.22 2dmx n TYR 72 N -5.18 0.11 -0.04 1.13 9.36 -0.02 0.48 117.16 123.01 2dmx n TYR 72 Ca -0.02 1.03 -0.12 0.00 3.32 0.00 0.00 57.90 62.12 2dmx n TYR 72 Cb 0.13 -0.87 -0.06 0.00 -0.63 0.00 0.00 39.34 37.91 2dmx n TYR 72 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 2dmx h ASP 73 N 0.00 0.20 0.25 2.98 3.58 -1.50 -0.72 116.42 121.21 2dmx h ASP 73 Ca 0.33 -0.26 0.01 0.00 0.42 0.00 0.00 57.03 57.52 2dmx h ASP 73 Cb 0.54 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.50 2dmx h ASP 73 CO -0.85 0.41 -0.49 0.03 -2.88 0.00 0.00 179.24 175.47 2dmx h ARG 74 N -0.02 -0.78 0.46 0.28 3.08 0.42 -3.21 114.38 114.61 2dmx h ARG 74 Ca 0.04 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2dmx h ARG 74 Cb 0.30 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2dmx h ARG 74 CO 0.00 -0.52 -0.25 0.00 -1.07 0.00 0.00 179.97 178.13 2dmx h ALA 75 N -0.52 -1.14 -6.45 0.04 0.00 -0.45 -3.47 119.26 107.28 2dmx h ALA 75 Ca -0.02 -0.14 -0.39 0.00 0.00 0.00 0.00 54.91 54.36 2dmx h ALA 75 Cb 0.77 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2dmx h ALA 75 CO -0.20 -1.10 -0.85 0.41 0.00 0.00 0.00 179.25 177.51 2dmx n GLY 76 N -1.33 -0.97 3.30 0.00 0.00 -0.28 -4.95 105.19 100.97 2dmx n GLY 76 Ca -0.08 0.44 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.13 5.09 0.38 0.00 1.11 -1.26 -3.88 116.67 115.99 2dmx s ASP 78 Ca 0.09 2.42 -0.23 0.00 0.18 0.00 0.00 52.55 55.01 2dmx s ASP 78 Cb -0.09 -2.60 -0.10 0.00 1.07 0.00 0.00 42.92 41.20 2dmx s ASP 78 CO 0.05 -1.66 0.96 -0.94 1.18 0.00 0.00 175.17 174.76 2dmx s SER 79 N -1.57 7.07 -0.27 0.27 1.04 -1.26 -4.81 113.70 114.17 2dmx s SER 79 Ca 0.78 1.79 -0.01 0.00 0.48 0.00 0.00 55.95 58.99 2dmx s SER 79 Cb -0.31 -2.56 0.16 0.00 0.10 0.00 0.00 66.02 63.40 2dmx s SER 79 CO 0.34 -0.26 0.47 0.26 0.98 0.00 0.00 173.24 175.03 2dmx s TRP 80 N -1.88 -1.16 -0.27 5.02 0.52 -1.26 -4.93 118.94 114.96 2dmx s TRP 80 Ca 0.57 1.13 -0.04 0.00 0.02 0.00 0.00 56.10 57.78 2dmx s TRP 80 Cb -0.15 0.22 0.02 0.00 -1.15 0.00 0.00 33.47 32.42 2dmx s TRP 80 CO 0.19 -0.81 0.01 0.50 0.02 0.00 0.00 176.95 176.86 2dmx s ARG 81 N 2.67 2.89 0.58 4.98 3.52 -1.26 -5.09 118.95 127.24 2dmx s ARG 81 Ca 0.15 -0.96 -0.20 0.00 -0.13 0.00 0.00 55.73 54.59 2dmx s ARG 81 Cb -0.15 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 2dmx s ARG 81 CO -0.19 -0.45 1.34 0.00 -0.81 0.00 0.00 175.30 175.19 2dmx s ALA 82 N 1.39 2.67 0.06 6.12 0.00 -1.26 -4.77 121.76 125.97 2dmx s ALA 82 Ca 0.01 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.26 2dmx s ALA 82 Cb -0.17 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2dmx s ALA 82 CO -0.01 -1.45 0.00 0.41 0.00 0.00 0.00 175.76 174.71 2dmx n GLY 83 N 0.78 -0.61 0.00 0.00 0.00 -1.26 -5.04 105.19 99.06 2dmx n GLY 83 Ca 0.12 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.80 1.71 3.70 -0.02 0.00 -1.26 -5.15 105.19 103.38 2dmx n GLY 84 Ca 0.00 0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 0.33 3.20 -0.02 0.00 -1.26 -5.03 105.19 102.41 2dmx n GLY 85 Ca 0.00 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.45 1.61 -0.01 4.61 0.00 -1.26 -5.13 121.76 120.13 2dmx s ALA 86 Ca 0.81 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 51.76 2dmx s ALA 86 Cb -0.38 -0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.29 2dmx s ALA 86 CO 0.42 0.39 0.41 -1.54 0.00 0.00 0.00 175.76 175.43 2dmx s SER 87 N -0.56 6.80 0.00 0.00 1.04 -1.26 -4.89 113.70 114.83 2dmx s SER 87 Ca 0.07 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.45 2dmx s SER 87 Cb -0.08 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2dmx s SER 87 CO -0.00 0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.14 2dmx n GLY 88 N 1.87 -2.25 3.69 7.32 0.00 -1.26 -5.12 105.19 109.44 2dmx n GLY 88 Ca -0.14 0.80 -0.42 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 4.26 0.13 1.61 0.04 -1.26 -4.94 135.00 134.84 2dmx s PRO 89 Ca 0.00 2.02 -0.31 0.00 0.04 0.00 0.00 61.00 62.75 2dmx s PRO 89 Cb 0.00 -3.61 -0.10 0.00 0.04 0.00 0.00 34.50 30.82 2dmx s PRO 89 CO 0.00 -0.62 1.52 0.77 0.04 0.00 0.00 177.00 178.71 2dmx h SER 90 N 8.04 -1.79 -1.57 6.66 0.02 -2.01 -3.42 113.55 119.47 2dmx h SER 90 Ca -0.38 0.24 -0.50 0.00 -0.84 0.00 0.00 61.79 60.31 2dmx h SER 90 Cb 1.18 0.74 -0.04 0.00 0.14 0.00 0.00 62.40 64.42 2dmx h SER 90 CO 0.91 -0.37 -0.40 -0.44 -1.14 0.00 0.00 176.83 175.39 2dmx s SER 91 N -4.96 5.02 0.00 3.07 0.01 -1.26 -5.23 113.70 110.34 2dmx s SER 91 Ca -0.13 -0.74 0.28 0.00 1.31 0.00 0.00 55.95 56.66 2dmx s SER 91 Cb 0.08 -0.61 1.00 0.00 0.21 0.00 0.00 66.02 66.70 2dmx s SER 91 CO 0.58 -0.60 1.72 0.61 0.41 0.00 0.00 173.24 175.96