#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 1.82 0.01 1.61 2.88 -1.26 -4.62 113.62 114.05 2dmx n SER 2 Ca 0.00 0.48 -0.14 0.00 -1.33 0.00 0.00 58.87 57.87 2dmx n SER 2 Cb 0.00 -0.80 -0.09 0.00 -0.75 0.00 0.00 64.21 62.57 2dmx n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dmx h SER 3 N -0.97 -1.57 -4.09 -3.46 0.87 -2.13 -3.41 113.55 98.78 2dmx h SER 3 Ca 0.00 0.18 -0.52 0.00 -1.23 0.00 0.00 61.79 60.22 2dmx h SER 3 Cb 0.73 0.61 0.11 0.00 -0.44 0.00 0.00 62.40 63.40 2dmx h SER 3 CO 0.00 -0.45 0.47 -0.83 -0.53 0.00 0.00 176.83 175.48 2dmx s GLY 4 N -2.16 2.73 0.36 5.77 0.00 -1.26 -5.04 107.32 107.71 2dmx s GLY 4 Ca -0.14 0.99 0.08 0.00 0.00 0.00 0.00 44.72 45.64 2dmx s GLY 4 CO 0.56 1.37 0.25 -1.35 0.00 0.00 0.00 173.10 173.93 2dmx s SER 5 N -1.61 4.98 -0.03 1.64 1.04 -1.26 -4.94 113.70 113.52 2dmx s SER 5 Ca 0.77 -0.67 0.04 0.00 0.48 0.00 0.00 55.95 56.57 2dmx s SER 5 Cb -0.29 -0.79 -0.01 0.00 0.10 0.00 0.00 66.02 65.03 2dmx s SER 5 CO 0.32 -0.40 -0.16 -0.44 0.98 0.00 0.00 173.24 173.54 2dmx s SER 6 N -3.96 1.99 0.00 7.02 0.01 -1.26 -5.14 113.70 112.36 2dmx s SER 6 Ca 0.41 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2dmx s SER 6 Cb -0.04 -0.45 0.00 0.00 0.21 0.00 0.00 66.02 65.75 2dmx s SER 6 CO 0.25 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.67 2dmx n GLY 7 N 3.01 -0.35 3.74 3.44 0.00 -1.26 -4.97 105.19 108.79 2dmx n GLY 7 Ca -0.17 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 2dmx n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dmx s MET 8 N 0.00 4.65 0.04 1.61 1.00 -1.26 -4.96 119.30 120.38 2dmx s MET 8 Ca 0.00 1.61 -0.30 0.00 0.00 0.00 0.00 55.69 57.00 2dmx s MET 8 Cb 0.00 -3.31 -0.09 0.00 0.00 0.00 0.00 34.83 31.43 2dmx s MET 8 CO 0.00 0.16 1.96 0.00 0.00 0.00 0.00 175.02 177.14 2dmx n ALA 9 N 2.43 1.64 -1.67 3.03 0.00 -1.26 -4.86 120.51 119.82 2dmx n ALA 9 Ca 0.02 0.22 -0.40 0.00 0.00 0.00 0.00 53.44 53.28 2dmx n ALA 9 Cb 0.47 -2.68 -0.03 0.00 0.00 0.00 0.00 19.45 17.22 2dmx n ALA 9 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2dmx s ASN 10 N 4.31 5.12 0.19 0.00 0.01 -1.26 -4.85 114.94 118.46 2dmx s ASN 10 Ca 0.88 1.41 -0.23 0.00 -0.71 0.00 0.00 52.86 54.22 2dmx s ASN 10 Cb -0.44 -2.51 0.11 0.00 0.41 0.00 0.00 41.25 38.81 2dmx s ASN 10 CO 0.42 -2.30 1.56 1.88 -1.51 0.00 0.00 177.10 177.15 2dmx h TYR 11 N 16.44 -1.28 -0.93 2.20 0.05 -1.96 0.54 116.97 132.04 2dmx h TYR 11 Ca -0.33 0.10 0.23 0.00 0.05 0.00 0.00 58.73 58.78 2dmx h TYR 11 Cb 1.24 0.68 -0.12 0.00 1.01 0.00 0.00 36.73 39.53 2dmx h TYR 11 CO 0.96 -0.40 0.45 1.88 -1.05 0.00 0.00 178.16 180.00 2dmx h TYR 12 N -0.09 0.76 0.32 4.88 0.05 -1.89 -1.42 116.97 119.58 2dmx h TYR 12 Ca 0.25 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 59.05 2dmx h TYR 12 Cb 0.55 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.10 2dmx h TYR 12 CO -0.82 -0.02 -0.16 0.93 -1.05 0.00 0.00 178.16 177.05 2dmx h GLU 13 N 0.45 -0.42 -0.83 4.88 4.39 -0.22 0.32 114.58 123.16 2dmx h GLU 13 Ca 0.58 0.03 0.16 0.00 0.34 0.00 0.00 59.36 60.47 2dmx h GLU 13 Cb 1.11 0.10 -0.15 0.00 -0.10 0.00 0.00 28.75 29.70 2dmx h GLU 13 CO -0.51 -0.10 -0.26 0.28 -1.16 0.00 0.00 179.01 177.26 2dmx h VAL 14 N -0.79 0.13 -0.11 3.13 2.07 0.01 0.37 116.25 121.06 2dmx h VAL 14 Ca -0.04 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.25 2dmx h VAL 14 Cb 0.51 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2dmx h VAL 14 CO 0.07 0.00 -0.82 -0.07 0.02 0.00 0.00 177.57 176.78 2dmx h LEU 15 N -0.03 0.90 -0.00 2.57 3.38 -1.38 -3.49 115.31 117.27 2dmx h LEU 15 Ca 0.37 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2dmx h LEU 15 Cb 0.60 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2dmx h LEU 15 CO -0.86 1.43 0.00 0.61 0.09 0.00 0.00 178.44 179.71 2dmx n GLY 16 N 0.82 1.44 3.27 0.83 0.00 0.92 -4.96 105.19 107.50 2dmx n GLY 16 Ca -0.09 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 0.65 0.27 1.61 -7.23 0.02 -5.01 120.40 108.72 2dmx s VAL 17 Ca 0.00 -1.99 0.11 0.00 -1.81 0.00 0.00 61.98 58.29 2dmx s VAL 17 Cb 0.00 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 2dmx s VAL 17 CO 0.00 -0.32 -0.12 -1.10 -0.31 0.00 0.00 175.10 173.24 2dmx s GLN 18 N -3.95 1.92 0.33 4.82 -1.52 -1.26 -4.37 119.66 115.62 2dmx s GLN 18 Ca 0.28 -1.63 0.09 0.00 -1.95 0.00 0.00 55.36 52.16 2dmx s GLN 18 Cb 0.07 -1.93 0.85 0.00 -0.22 0.00 0.00 33.01 31.78 2dmx s GLN 18 CO 0.07 0.35 1.77 0.00 -0.25 0.00 0.00 175.29 177.23 2dmx h ALA 19 N 2.14 1.81 -0.12 6.09 0.00 -2.01 0.48 119.26 127.66 2dmx h ALA 19 Ca -0.42 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.61 2dmx h ALA 19 Cb 1.25 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2dmx h ALA 19 CO 0.60 -0.21 0.14 1.03 0.00 0.00 0.00 179.25 180.80 2dmx h SER 20 N 0.64 0.00 -4.24 0.00 0.87 -2.06 -3.43 113.55 105.33 2dmx h SER 20 Ca 0.59 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.62 2dmx h SER 20 Cb 1.08 0.00 0.19 0.00 -0.44 0.00 0.00 62.40 63.24 2dmx h SER 20 CO -0.38 0.00 0.27 0.00 -0.53 0.00 0.00 176.83 176.19 2dmx n ALA 21 N -2.34 -0.46 -2.31 6.23 0.00 0.17 -5.01 120.51 116.78 2dmx n ALA 21 Ca 0.00 -0.46 -0.25 0.00 0.00 0.00 0.00 53.44 52.73 2dmx n ALA 21 Cb 0.25 -2.22 0.01 0.00 0.00 0.00 0.00 19.45 17.48 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 -2.41 5.95 0.00 0.00 0.01 -1.26 -4.96 113.70 111.03 2dmx s SER 22 Ca 0.70 0.55 0.15 0.00 1.31 0.00 0.00 55.95 58.66 2dmx s SER 22 Cb -0.26 -1.82 0.82 0.00 0.21 0.00 0.00 66.02 64.98 2dmx s SER 22 CO 0.55 -0.69 1.38 -0.81 0.41 0.00 0.00 173.24 174.07 2dmx n PRO 23 N -2.19 0.33 -0.05 12.44 -0.04 -1.26 -2.67 135.00 141.57 2dmx n PRO 23 Ca 0.01 0.08 -0.19 0.00 -0.04 0.00 0.00 63.50 63.36 2dmx n PRO 23 Cb 0.57 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.40 2dmx n PRO 23 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dmx n GLU 24 N -1.16 0.71 -0.18 0.54 1.02 -1.26 -3.79 120.64 116.53 2dmx n GLU 24 Ca 0.09 0.21 -0.11 0.00 -0.02 0.00 0.00 57.16 57.34 2dmx n GLU 24 Cb 0.09 -1.63 0.01 0.00 -0.02 0.00 0.00 31.44 29.88 2dmx n GLU 24 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2dmx h ASP 25 N 0.04 1.00 -0.20 1.62 3.32 -1.91 -2.18 116.42 118.11 2dmx h ASP 25 Ca -0.48 -0.36 -0.06 0.00 0.02 0.00 0.00 57.03 56.15 2dmx h ASP 25 Cb 1.99 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 41.25 2dmx h ASP 25 CO 0.02 1.12 -0.05 0.40 -1.72 0.00 0.00 179.24 179.01 2dmx h ILE 26 N 0.86 1.21 0.11 0.35 2.04 -1.74 0.15 117.51 120.51 2dmx h ILE 26 Ca 0.13 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 2dmx h ILE 26 Cb 0.68 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2dmx h ILE 26 CO 0.05 0.30 -0.05 0.50 0.00 0.00 0.00 178.15 178.95 2dmx h LYS 27 N 0.50 -0.14 -0.59 2.37 3.64 -1.61 -2.12 116.57 118.62 2dmx h LYS 27 Ca 0.10 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 2dmx h LYS 27 Cb 0.41 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2dmx h LYS 27 CO 0.02 0.27 0.05 1.57 -2.27 0.00 0.00 179.45 179.09 2dmx h LYS 28 N -0.61 0.99 -0.84 1.90 2.10 -1.32 -2.80 116.57 116.00 2dmx h LYS 28 Ca -0.02 -0.27 -0.01 0.00 -2.00 0.00 0.00 60.65 58.35 2dmx h LYS 28 Cb 0.48 -0.11 -0.04 0.00 -0.90 0.00 0.00 32.23 31.66 2dmx h LYS 28 CO 0.03 0.94 0.46 0.00 -2.00 0.00 0.00 179.45 178.88 2dmx h ALA 29 N 1.13 1.24 0.69 0.07 0.00 -0.72 -3.13 119.26 118.54 2dmx h ALA 29 Ca 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2dmx h ALA 29 Cb 0.46 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2dmx h ALA 29 CO 0.02 0.62 -0.33 -0.92 0.00 0.00 0.00 179.25 178.63 2dmx h TYR 30 N 1.17 -0.86 -0.78 0.00 3.20 -1.12 -0.59 116.97 117.99 2dmx h TYR 30 Ca 0.30 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.25 2dmx h TYR 30 Cb 0.02 0.29 -0.11 0.00 1.54 0.00 0.00 36.73 38.46 2dmx h TYR 30 CO 0.01 -0.54 -0.35 0.54 -1.64 0.00 0.00 178.16 176.18 2dmx n ARG 31 N -4.52 -0.23 -0.15 1.82 1.74 -1.13 0.11 116.66 114.29 2dmx n ARG 31 Ca -0.12 1.19 -0.08 0.00 -0.77 0.00 0.00 57.85 58.07 2dmx n ARG 31 Cb 0.37 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 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 0.61 -0.15 5.56 6.56 -1.50 -3.02 116.57 124.64 2dmx h LYS 32 Ca 0.22 -0.07 0.05 0.00 -1.06 0.00 0.00 60.65 59.79 2dmx h LYS 32 Cb 0.42 -0.12 -0.06 0.00 -0.57 0.00 0.00 32.23 31.89 2dmx h LYS 32 CO -0.76 0.49 -0.26 -0.07 -2.06 0.00 0.00 179.45 176.79 2dmx h LEU 33 N 0.58 -0.82 -0.89 2.94 3.38 0.24 -0.71 115.31 120.03 2dmx h LEU 33 Ca 0.16 0.13 0.20 0.00 0.09 0.00 0.00 57.88 58.46 2dmx h LEU 33 Cb 0.05 0.36 -0.17 0.00 0.09 0.00 0.00 40.66 41.00 2dmx h LEU 33 CO -0.03 -0.31 -0.10 0.00 0.09 0.00 0.00 178.44 178.09 2dmx h ALA 34 N 0.61 0.79 -0.42 1.53 0.00 -0.72 0.59 119.26 121.65 2dmx h ALA 34 Ca 0.11 0.32 -0.12 0.00 0.00 0.00 0.00 54.91 55.22 2dmx h ALA 34 Cb 0.48 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2dmx h ALA 34 CO -0.33 -0.45 -0.23 -0.07 0.00 0.00 0.00 179.25 178.17 2dmx h LEU 35 N 0.03 0.87 0.46 0.00 3.38 -1.33 -1.68 115.31 117.04 2dmx h LEU 35 Ca 0.47 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2dmx h LEU 35 Cb 0.83 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2dmx h LEU 35 CO -0.87 1.07 -0.22 -0.09 0.09 0.00 0.00 178.44 178.42 2dmx h ARG 36 N 0.74 -0.59 -0.48 1.13 2.43 0.15 -2.10 114.38 115.65 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 0.77 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 2dmx h ARG 36 CO 0.06 -0.39 0.00 0.91 -1.51 0.00 0.00 179.97 179.04 2dmx n TRP 37 N -5.35 0.22 -2.10 2.20 7.02 0.39 -4.87 117.44 114.94 2dmx n TRP 37 Ca -0.11 -0.09 -0.41 0.00 -1.02 0.00 0.00 57.50 55.87 2dmx n TRP 37 Cb 0.26 -0.07 -0.02 0.00 -2.42 0.00 0.00 31.31 29.06 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 -1.58 3.05 0.14 -5.99 2.46 -0.63 -4.30 115.29 108.43 2dmx s HIS 38 Ca 0.08 1.33 -0.11 0.00 0.47 0.00 0.00 55.06 56.83 2dmx s HIS 38 Cb 0.05 -3.71 -0.04 0.00 -0.13 0.00 0.00 32.58 28.75 2dmx s HIS 38 CO 0.04 -2.02 1.48 -1.00 -2.47 0.00 0.00 174.74 170.76 2dmx h PRO 39 N 3.83 0.94 -0.47 2.88 0.13 -1.85 -2.86 132.00 134.59 2dmx h PRO 39 Ca -0.48 -0.50 -0.04 0.00 -0.87 0.00 0.00 66.00 64.11 2dmx h PRO 39 Cb 1.22 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2dmx h PRO 39 CO 0.68 1.15 0.11 0.22 -0.23 0.00 0.00 178.00 179.94 2dmx h ASP 40 N 0.76 0.66 1.26 1.44 1.82 -1.92 -1.79 116.42 118.65 2dmx h ASP 40 Ca 0.06 -0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.58 2dmx h ASP 40 Cb 0.99 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 40.83 2dmx h ASP 40 CO 0.10 0.66 -0.07 0.11 -1.61 0.00 0.00 179.24 178.42 2dmx h LYS 41 N 0.69 0.00 -4.39 0.28 1.79 -1.84 -3.39 116.57 109.70 2dmx h LYS 41 Ca 0.15 0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 57.91 2dmx h LYS 41 Cb 0.26 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 30.62 2dmx h LYS 41 CO -0.00 0.07 -0.45 -0.80 -1.08 0.00 0.00 179.45 177.19 2dmx s ASN 42 N -5.96 5.59 -0.02 0.86 0.01 -0.67 -4.96 114.94 109.78 2dmx s ASN 42 Ca 0.03 -1.77 -0.25 0.00 -0.71 0.00 0.00 52.86 50.16 2dmx s ASN 42 Cb 0.08 -1.97 -0.19 0.00 0.41 0.00 0.00 41.25 39.59 2dmx s ASN 42 CO 0.60 -0.60 1.18 1.55 -1.51 0.00 0.00 177.10 178.32 2dmx h PRO 43 N 8.36 -0.12 -0.54 -0.60 0.13 -1.78 -3.30 132.00 134.15 2dmx h PRO 43 Ca -0.20 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.99 2dmx h PRO 43 Cb 1.07 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.15 2dmx h PRO 43 CO 0.79 0.32 -0.48 0.22 -0.23 0.00 0.00 178.00 178.61 2dmx h ASP 44 N -0.62 -1.68 -3.31 1.44 3.58 -1.93 -3.38 116.42 110.53 2dmx h ASP 44 Ca -0.01 0.24 -0.58 0.00 0.42 0.00 0.00 57.03 57.10 2dmx h ASP 44 Cb 0.50 0.71 -0.37 0.00 1.72 0.00 0.00 39.33 41.89 2dmx h ASP 44 CO 0.02 -0.28 -0.80 0.54 -2.88 0.00 0.00 179.24 175.83 2dmx s ASN 45 N -4.86 2.90 -0.22 2.28 4.22 -1.25 -5.01 114.94 113.00 2dmx s ASN 45 Ca -0.11 -0.66 -0.17 0.00 -2.14 0.00 0.00 52.86 49.77 2dmx s ASN 45 Cb 0.08 -1.04 -0.18 0.00 1.28 0.00 0.00 41.25 41.40 2dmx s ASN 45 CO 0.52 -0.15 0.05 0.29 -2.04 0.00 0.00 177.10 175.77 2dmx n LYS 46 N 4.81 0.59 0.47 3.55 5.02 -1.24 -4.13 118.16 127.23 2dmx n LYS 46 Ca -0.14 0.45 -0.20 0.00 -2.02 0.00 0.00 58.31 56.40 2dmx n LYS 46 Cb 0.48 -1.66 -0.10 0.00 -0.02 0.00 0.00 35.03 33.73 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 -0.88 -1.18 -0.99 1.97 4.57 -1.91 -0.84 114.58 115.31 2dmx h GLU 47 Ca -0.47 0.08 0.37 0.00 -1.18 0.00 0.00 59.36 58.16 2dmx h GLU 47 Cb 1.47 0.27 -0.17 0.00 -0.16 0.00 0.00 28.75 30.16 2dmx h GLU 47 CO -0.25 -0.79 0.43 1.49 -1.18 0.00 0.00 179.01 178.71 2dmx h GLU 48 N -1.22 0.06 -0.02 1.92 4.81 -2.00 0.32 114.58 118.46 2dmx h GLU 48 Ca -0.12 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2dmx h GLU 48 Cb 0.95 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 2dmx h GLU 48 CO 0.17 0.04 -0.03 0.00 -0.73 0.00 0.00 179.01 178.47 2dmx h ALA 49 N 1.96 0.02 -0.82 2.92 0.00 -1.63 -3.30 119.26 118.41 2dmx h ALA 49 Ca 0.77 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 55.47 2dmx h ALA 49 Cb 1.90 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.58 2dmx h ALA 49 CO -0.77 -0.18 -0.48 0.39 0.00 0.00 0.00 179.25 178.21 2dmx n GLU 50 N -4.79 -0.36 -0.24 0.00 1.02 0.11 0.11 120.64 116.49 2dmx n GLU 50 Ca -0.08 1.29 -0.02 0.00 -0.02 0.00 0.00 57.16 58.32 2dmx n GLU 50 Cb 0.29 -1.90 0.04 0.00 -0.02 0.00 0.00 31.44 29.86 2dmx n GLU 50 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2dmx h LYS 51 N 0.00 -0.08 -0.93 3.49 3.11 -1.59 0.53 116.57 121.10 2dmx h LYS 51 Ca 0.13 0.01 0.19 0.00 -2.81 0.00 0.00 60.65 58.17 2dmx h LYS 51 Cb 0.34 0.02 -0.08 0.00 -1.00 0.00 0.00 32.23 31.51 2dmx h LYS 51 CO -0.77 -0.05 0.60 0.87 -2.81 0.00 0.00 179.45 177.28 2dmx h LYS 52 N -0.08 0.53 -0.97 1.90 1.79 -0.41 0.66 116.57 119.98 2dmx h LYS 52 Ca 0.29 -0.03 0.11 0.00 -2.18 0.00 0.00 60.65 58.84 2dmx h LYS 52 Cb 0.56 -0.12 -0.08 0.00 -1.58 0.00 0.00 32.23 31.01 2dmx h LYS 52 CO -0.75 0.35 0.62 0.35 -1.08 0.00 0.00 179.45 178.94 2dmx h PHE 53 N 0.54 1.09 -0.12 -1.35 3.04 0.97 -1.15 116.94 119.95 2dmx h PHE 53 Ca 0.49 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.44 2dmx h PHE 53 Cb 1.03 -0.35 -0.00 0.00 2.56 0.00 0.00 35.95 39.19 2dmx h PHE 53 CO -0.00 0.46 -0.06 -0.22 -2.02 0.00 0.00 178.31 176.47 2dmx h LYS 54 N 0.97 0.26 -0.12 1.11 3.64 -0.75 -2.56 116.57 119.12 2dmx h LYS 54 Ca 0.47 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.77 2dmx h LYS 54 Cb 0.45 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 2dmx h LYS 54 CO -0.23 0.59 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.33 2dmx h LEU 55 N -0.09 -0.45 -0.72 5.20 3.38 -1.16 0.20 115.31 121.68 2dmx h LEU 55 Ca 0.03 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.16 2dmx h LEU 55 Cb 0.51 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 2dmx h LEU 55 CO 0.02 -0.19 0.38 0.58 0.09 0.00 0.00 178.44 179.32 2dmx h VAL 56 N -0.18 0.90 -0.02 1.22 2.07 -1.26 0.33 116.25 119.31 2dmx h VAL 56 Ca 0.09 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 2dmx h VAL 56 Cb 0.31 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2dmx h VAL 56 CO -0.23 0.12 0.00 0.28 0.02 0.00 0.00 177.57 177.76 2dmx h SER 57 N 0.66 0.03 0.62 0.57 0.02 -0.95 -0.85 113.55 113.65 2dmx h SER 57 Ca 0.34 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2dmx h SER 57 Cb 0.31 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.85 2dmx h SER 57 CO -0.24 0.29 -0.30 -0.08 -1.14 0.00 0.00 176.83 175.36 2dmx h GLU 58 N -0.24 -0.81 -0.82 3.45 4.81 -0.20 -2.85 114.58 117.92 2dmx h GLU 58 Ca 0.00 0.06 0.19 0.00 -0.13 0.00 0.00 59.36 59.48 2dmx h GLU 58 Cb 0.28 0.18 -0.12 0.00 0.63 0.00 0.00 28.75 29.72 2dmx h GLU 58 CO 0.00 -0.54 0.27 0.00 -0.73 0.00 0.00 179.01 178.01 2dmx h ALA 59 N -1.54 1.18 -1.00 2.92 0.00 -0.45 0.25 119.26 120.62 2dmx h ALA 59 Ca -0.09 0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.19 2dmx h ALA 59 Cb 0.64 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.54 2dmx h ALA 59 CO 0.14 -0.35 0.61 -0.92 0.00 0.00 0.00 179.25 178.74 2dmx h TYR 60 N 0.32 1.02 0.15 0.00 3.20 -1.08 -1.46 116.97 119.11 2dmx h TYR 60 Ca 0.49 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 62.16 2dmx h TYR 60 Cb 0.89 -0.31 0.03 0.00 1.54 0.00 0.00 36.73 38.87 2dmx h TYR 60 CO -0.22 0.24 -0.97 0.93 -1.64 0.00 0.00 178.16 176.50 2dmx h GLU 61 N 0.74 0.40 -1.07 1.82 4.39 -0.36 -0.44 114.58 120.06 2dmx h GLU 61 Ca 0.56 -0.62 0.29 0.00 0.34 0.00 0.00 59.36 59.93 2dmx h GLU 61 Cb 0.91 0.22 -0.08 0.00 -0.10 0.00 0.00 28.75 29.71 2dmx h GLU 61 CO -0.35 1.28 0.71 0.28 -1.16 0.00 0.00 179.01 179.77 2dmx h VAL 62 N -0.17 0.49 0.02 3.13 2.07 0.00 0.31 116.25 122.10 2dmx h VAL 62 Ca -0.16 -0.10 -0.36 0.00 0.82 0.00 0.00 66.70 66.90 2dmx h VAL 62 Cb 1.74 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 2dmx h VAL 62 CO 0.18 0.05 -2.03 0.18 0.02 0.00 0.00 177.57 175.97 2dmx n LEU 63 N -4.52 2.18 -0.34 2.57 4.77 -0.78 0.32 117.00 121.20 2dmx n LEU 63 Ca 0.25 0.28 0.23 0.00 -0.03 0.00 0.00 56.01 56.74 2dmx n LEU 63 Cb 0.97 -0.93 0.49 0.00 -2.33 0.00 0.00 43.42 41.63 2dmx n LEU 63 CO 0.29 0.57 1.20 0.28 -1.33 0.00 0.00 177.39 178.40 2dmx h SER 64 N -0.69 0.49 -4.15 -1.43 0.02 -0.55 -3.39 113.55 103.85 2dmx h SER 64 Ca -0.53 0.11 -0.48 0.00 -0.84 0.00 0.00 61.79 60.05 2dmx h SER 64 Cb 1.62 0.04 0.05 0.00 0.14 0.00 0.00 62.40 64.25 2dmx h SER 64 CO -0.23 0.05 0.38 -0.62 -1.14 0.00 0.00 176.83 175.27 2dmx s ASP 65 N -5.15 6.00 0.02 3.07 -1.08 0.05 -4.98 116.67 114.60 2dmx s ASP 65 Ca -0.09 1.87 -0.11 0.00 -0.52 0.00 0.00 52.55 53.69 2dmx s ASP 65 Cb 0.26 -2.54 -0.33 0.00 -1.46 0.00 0.00 42.92 38.86 2dmx s ASP 65 CO 0.80 -1.02 0.94 -1.28 0.52 0.00 0.00 175.17 175.13 2dmx h SER 66 N 0.88 0.68 -0.02 -0.34 0.87 -1.90 -2.63 113.55 111.09 2dmx h SER 66 Ca -0.48 -0.79 -0.05 0.00 -1.23 0.00 0.00 61.79 59.24 2dmx h SER 66 Cb 1.22 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2dmx h SER 66 CO 0.58 1.64 -0.19 0.07 -0.53 0.00 0.00 176.83 178.40 2dmx h LYS 67 N 0.12 0.16 -0.00 2.24 2.10 -1.93 -3.05 116.57 116.21 2dmx h LYS 67 Ca -0.25 -0.15 -0.00 0.00 -2.00 0.00 0.00 60.65 58.25 2dmx h LYS 67 Cb 2.11 0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 33.47 2dmx h LYS 67 CO 0.23 0.85 0.00 0.87 -2.00 0.00 0.00 179.45 179.40 2dmx h LYS 68 N -0.47 0.00 -0.30 0.07 1.57 -1.76 0.25 116.57 115.94 2dmx h LYS 68 Ca -0.02 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2dmx h LYS 68 Cb 0.90 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.13 2dmx h LYS 68 CO 0.04 0.11 -0.38 -0.09 -0.57 0.00 0.00 179.45 178.56 2dmx h ARG 69 N -0.10 -0.34 -0.26 3.15 9.65 0.26 0.25 114.38 126.99 2dmx h ARG 69 Ca 0.00 0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 2dmx h ARG 69 Cb 0.11 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 2dmx h ARG 69 CO -0.00 -0.23 0.01 0.77 2.80 0.00 0.00 179.97 183.32 2dmx h SER 70 N -0.35 0.45 -0.71 -3.80 0.02 -1.47 -2.97 113.55 104.71 2dmx h SER 70 Ca 0.13 -0.30 0.13 0.00 -0.84 0.00 0.00 61.79 60.91 2dmx h SER 70 Cb 0.57 -0.12 -0.09 0.00 0.14 0.00 0.00 62.40 62.90 2dmx h SER 70 CO -0.49 0.64 0.26 -0.07 -1.14 0.00 0.00 176.83 176.04 2dmx h LEU 71 N 0.24 0.23 -0.93 5.07 3.38 0.17 0.10 115.31 123.58 2dmx h LEU 71 Ca 0.07 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.17 2dmx h LEU 71 Cb 0.41 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2dmx h LEU 71 CO 0.01 0.10 0.61 0.22 0.09 0.00 0.00 178.44 179.47 2dmx h TYR 72 N 0.41 1.15 0.45 1.13 3.20 -0.42 0.15 116.97 123.04 2dmx h TYR 72 Ca 0.38 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.26 2dmx h TYR 72 Cb 0.56 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2dmx h TYR 72 CO -0.18 0.69 -0.22 0.22 -1.64 0.00 0.00 178.16 177.03 2dmx h ASP 73 N 1.21 -0.52 -0.70 -2.11 1.82 -0.90 0.18 116.42 115.39 2dmx h ASP 73 Ca 0.36 0.02 0.13 0.00 -0.39 0.00 0.00 57.03 57.15 2dmx h ASP 73 Cb -0.06 0.13 -0.09 0.00 0.68 0.00 0.00 39.33 39.99 2dmx h ASP 73 CO -0.10 -0.25 0.23 0.08 -1.61 0.00 0.00 179.24 177.59 2dmx h ARG 74 N -0.84 0.36 0.69 0.28 0.11 -1.05 -2.65 114.38 111.28 2dmx h ARG 74 Ca -0.06 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 59.96 2dmx h ARG 74 Cb 0.47 -0.08 0.01 0.00 1.11 0.00 0.00 29.97 31.47 2dmx h ARG 74 CO 0.10 0.24 -0.33 0.00 0.10 0.00 0.00 179.97 180.08 2dmx h ALA 75 N 1.53 -0.93 -0.36 0.08 0.00 -0.75 -3.46 119.26 115.37 2dmx h ALA 75 Ca 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dmx h ALA 75 Cb 0.58 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2dmx h ALA 75 CO -0.41 -0.91 0.00 0.41 0.00 0.00 0.00 179.25 178.34 2dmx n GLY 76 N -0.86 1.48 3.26 0.00 0.00 0.63 -4.69 105.19 105.01 2dmx n GLY 76 Ca -0.13 0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.74 6.77 0.34 0.00 1.47 -1.26 -4.98 116.67 118.27 2dmx s ASP 78 Ca 0.09 0.92 0.17 0.00 1.18 0.00 0.00 52.55 54.91 2dmx s ASP 78 Cb -0.09 -2.25 0.44 0.00 -0.34 0.00 0.00 42.92 40.68 2dmx s ASP 78 CO 0.00 0.28 1.61 0.77 0.68 0.00 0.00 175.17 178.52 2dmx h SER 79 N 5.01 0.00 -2.47 2.11 4.64 -2.00 -3.42 113.55 117.42 2dmx h SER 79 Ca -0.50 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.57 2dmx h SER 79 Cb 1.21 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.97 2dmx h SER 79 CO 0.63 0.43 -0.56 0.26 -0.87 0.00 0.00 176.83 176.72 2dmx s TRP 80 N -3.33 -0.45 -0.25 4.77 0.52 -1.26 -5.13 118.94 113.82 2dmx s TRP 80 Ca 0.02 0.57 -0.03 0.00 0.02 0.00 0.00 56.10 56.68 2dmx s TRP 80 Cb 0.10 -0.18 0.02 0.00 -1.15 0.00 0.00 33.47 32.25 2dmx s TRP 80 CO 0.71 -0.56 -0.04 0.50 0.02 0.00 0.00 176.95 177.57 2dmx s ARG 81 N 2.40 3.00 0.22 4.98 3.52 -1.26 -5.00 118.95 126.81 2dmx s ARG 81 Ca 0.07 -0.87 -0.10 0.00 -0.13 0.00 0.00 55.73 54.69 2dmx s ARG 81 Cb -0.15 -3.03 0.32 0.00 -1.56 0.00 0.00 34.95 30.54 2dmx s ARG 81 CO -0.12 -0.35 1.66 0.00 -0.81 0.00 0.00 175.30 175.68 2dmx h ALA 82 N 8.06 0.65 0.00 6.12 0.00 -2.01 -3.47 119.26 128.62 2dmx h ALA 82 Ca -0.35 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2dmx h ALA 82 Cb 1.12 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2dmx h ALA 82 CO 0.59 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2dmx n GLY 83 N -1.37 2.22 2.10 0.00 0.00 -1.26 -4.87 105.19 102.01 2dmx n GLY 83 Ca 0.10 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 -0.93 2.25 -0.02 0.00 -1.26 -5.16 105.19 100.07 2dmx n GLY 84 Ca 0.00 0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.23 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 0.29 -1.98 0.12 -0.02 0.00 -1.26 -4.09 105.19 98.24 2dmx n GLY 85 Ca 0.00 -1.34 -0.21 0.00 0.00 0.00 0.00 46.02 44.47 2dmx n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmx h ALA 86 N -0.53 0.19 -0.84 4.61 0.00 -2.04 -3.38 119.26 117.26 2dmx h ALA 86 Ca 0.01 -1.09 0.08 0.00 0.00 0.00 0.00 54.91 53.91 2dmx h ALA 86 Cb 0.42 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 2dmx h ALA 86 CO 0.00 0.81 -0.50 0.45 0.00 0.00 0.00 179.25 180.01 2dmx n SER 87 N -3.97 -0.90 -0.19 0.00 2.88 -1.26 -4.92 113.62 105.26 2dmx n SER 87 Ca -0.25 1.65 0.02 0.00 -1.33 0.00 0.00 58.87 58.96 2dmx n SER 87 Cb 0.87 -0.27 -0.01 0.00 -0.75 0.00 0.00 64.21 64.06 2dmx n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmx n GLY 88 N -1.21 -2.16 3.77 0.46 0.00 -1.26 -4.87 105.19 99.92 2dmx n GLY 88 Ca 0.02 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.92 4.43 0.27 1.61 0.04 -1.26 -4.92 135.00 134.26 2dmx s PRO 89 Ca 0.00 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 62.99 2dmx s PRO 89 Cb 0.00 -3.08 0.44 0.00 0.04 0.00 0.00 34.50 31.90 2dmx s PRO 89 CO 0.00 -0.06 1.56 -1.13 0.04 0.00 0.00 177.00 177.41 2dmx n SER 90 N 0.87 -0.39 -4.20 6.66 3.41 -1.26 -4.32 113.62 114.40 2dmx n SER 90 Ca -0.00 1.72 -0.27 0.00 -0.26 0.00 0.00 58.87 60.06 2dmx n SER 90 Cb 0.43 -0.51 -0.16 0.00 -0.26 0.00 0.00 64.21 63.72 2dmx n SER 90 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dmx s SER 91 N -5.27 2.43 0.00 4.04 0.15 -1.26 -5.26 113.70 108.53 2dmx s SER 91 Ca -0.15 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2dmx s SER 91 Cb 0.26 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2dmx s SER 91 CO 0.77 0.22 0.00 0.61 1.20 0.00 0.00 173.24 176.04