#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 -0.18 -4.22 1.61 7.64 -1.26 -4.35 113.62 112.87 2dmx n SER 2 Ca 0.00 1.57 -0.12 0.00 1.01 0.00 0.00 58.87 61.33 2dmx n SER 2 Cb 0.00 -0.54 -0.10 0.00 -1.01 0.00 0.00 64.21 62.56 2dmx n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dmx s SER 3 N -5.08 0.88 0.00 6.43 0.01 -1.26 -4.25 113.70 110.42 2dmx s SER 3 Ca -0.13 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 55.93 2dmx s SER 3 Cb 0.26 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.68 2dmx s SER 3 CO 0.72 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 174.33 2dmx n GLY 4 N -0.21 3.19 0.13 3.44 0.00 -1.26 -4.83 105.19 105.64 2dmx n GLY 4 Ca -0.05 -1.76 -0.22 0.00 0.00 0.00 0.00 46.02 43.99 2dmx n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dmx n SER 5 N 0.00 2.03 -0.02 1.61 3.41 -1.26 -4.58 113.62 114.80 2dmx n SER 5 Ca 0.00 0.27 -0.05 0.00 -0.26 0.00 0.00 58.87 58.83 2dmx n SER 5 Cb 0.00 -0.87 -0.04 0.00 -0.26 0.00 0.00 64.21 63.04 2dmx n SER 5 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dmx h SER 6 N -0.32 -0.06 -3.80 4.04 0.02 -2.01 -3.47 113.55 107.96 2dmx h SER 6 Ca -0.42 -0.26 -0.48 0.00 -0.84 0.00 0.00 61.79 59.79 2dmx h SER 6 Cb 1.78 0.01 0.21 0.00 0.14 0.00 0.00 62.40 64.54 2dmx h SER 6 CO -0.04 0.55 0.12 -0.83 -1.14 0.00 0.00 176.83 175.50 2dmx s GLY 7 N -3.62 1.62 1.12 -3.77 0.00 -1.26 -4.99 107.32 96.43 2dmx s GLY 7 Ca -0.06 0.28 -0.14 0.00 0.00 0.00 0.00 44.72 44.80 2dmx s GLY 7 CO 0.22 0.84 1.06 1.06 0.00 0.00 0.00 173.10 176.28 2dmx s MET 8 N -4.54 -0.58 -0.20 2.90 1.00 -1.26 -4.68 119.30 111.93 2dmx s MET 8 Ca 0.68 0.51 -0.04 0.00 0.00 0.00 0.00 55.69 56.84 2dmx s MET 8 Cb -0.24 -1.62 0.10 0.00 0.00 0.00 0.00 34.83 33.07 2dmx s MET 8 CO 0.61 -3.41 0.28 0.00 0.00 0.00 0.00 175.02 172.50 2dmx s ALA 9 N -2.74 -0.60 -0.22 3.03 0.00 -1.26 -3.83 121.76 116.14 2dmx s ALA 9 Ca 0.67 0.61 -0.28 0.00 0.00 0.00 0.00 51.96 52.97 2dmx s ALA 9 Cb -0.20 -1.38 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 2dmx s ALA 9 CO 0.60 -1.11 2.23 0.09 0.00 0.00 0.00 175.76 177.57 2dmx n ASN 10 N 5.34 3.24 -0.40 0.00 3.02 -1.26 -4.84 115.26 120.36 2dmx n ASN 10 Ca -0.05 0.20 -0.07 0.00 -0.03 0.00 0.00 54.58 54.63 2dmx n ASN 10 Cb 0.50 -1.55 -0.04 0.00 -0.61 0.00 0.00 39.78 38.07 2dmx n ASN 10 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2dmx n TYR 11 N 11.70 -0.25 -0.29 3.10 4.01 -1.26 0.76 117.16 134.92 2dmx n TYR 11 Ca 0.30 1.22 0.11 0.00 -0.16 0.00 0.00 57.90 59.38 2dmx n TYR 11 Cb 0.44 -0.69 0.27 0.00 -0.31 0.00 0.00 39.34 39.06 2dmx n TYR 11 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 2dmx h TYR 12 N 0.00 0.60 0.22 -0.72 0.05 -1.89 -1.57 116.97 113.65 2dmx h TYR 12 Ca 0.23 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 59.04 2dmx h TYR 12 Cb 0.48 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.09 2dmx h TYR 12 CO -0.95 -0.03 -0.10 0.93 -1.05 0.00 0.00 178.16 176.96 2dmx h GLU 13 N 0.41 -0.28 -0.94 4.88 4.39 0.12 0.72 114.58 123.88 2dmx h GLU 13 Ca 0.52 0.02 0.28 0.00 0.34 0.00 0.00 59.36 60.52 2dmx h GLU 13 Cb 0.95 0.06 -0.16 0.00 -0.10 0.00 0.00 28.75 29.50 2dmx h GLU 13 CO -0.51 0.08 0.22 0.28 -1.16 0.00 0.00 179.01 177.93 2dmx h VAL 14 N -0.70 0.17 0.12 3.13 2.07 0.38 0.11 116.25 121.53 2dmx h VAL 14 Ca -0.03 -0.04 -0.23 0.00 0.82 0.00 0.00 66.70 67.22 2dmx h VAL 14 Cb 0.48 0.04 0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2dmx h VAL 14 CO 0.05 0.02 -0.96 -0.07 0.02 0.00 0.00 177.57 176.63 2dmx h LEU 15 N 0.11 0.63 0.00 2.57 3.38 -1.33 -3.47 115.31 117.21 2dmx h LEU 15 Ca 0.62 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2dmx h LEU 15 Cb 1.35 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2dmx h LEU 15 CO -0.76 1.45 0.00 0.61 0.09 0.00 0.00 178.44 179.83 2dmx n GLY 16 N 1.47 1.34 3.28 0.83 0.00 0.38 -4.96 105.19 107.53 2dmx n GLY 16 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 0.97 0.40 1.61 -7.23 -0.64 -5.03 120.40 108.48 2dmx s VAL 17 Ca 0.00 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.16 2dmx s VAL 17 Cb 0.00 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.80 2dmx s VAL 17 CO 0.00 -0.49 0.60 -1.10 -0.31 0.00 0.00 175.10 173.79 2dmx s GLN 18 N -3.84 3.15 0.51 4.82 -0.21 -1.26 -4.47 119.66 118.36 2dmx s GLN 18 Ca 0.24 -0.59 0.26 0.00 0.02 0.00 0.00 55.36 55.28 2dmx s GLN 18 Cb 0.05 -2.65 1.36 0.00 1.00 0.00 0.00 33.01 32.78 2dmx s GLN 18 CO 0.05 -0.11 2.04 0.00 -2.12 0.00 0.00 175.29 175.15 2dmx h ALA 19 N 0.59 1.28 -0.28 6.09 0.00 -2.02 -1.69 119.26 123.23 2dmx h ALA 19 Ca -0.47 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2dmx h ALA 19 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2dmx h ALA 19 CO 0.57 0.17 0.00 0.43 0.00 0.00 0.00 179.25 180.42 2dmx n SER 20 N -3.66 2.79 -4.85 0.00 7.64 -1.26 -4.91 113.62 109.38 2dmx n SER 20 Ca -0.02 -2.31 -0.32 0.00 1.01 0.00 0.00 58.87 57.23 2dmx n SER 20 Cb 0.26 -0.49 -0.04 0.00 -1.01 0.00 0.00 64.21 62.92 2dmx n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dmx s ALA 21 N -1.73 3.20 0.66 -0.43 0.00 -0.64 -5.06 121.76 117.76 2dmx s ALA 21 Ca 0.24 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 2dmx s ALA 21 Cb 0.17 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.35 2dmx s ALA 21 CO 0.09 0.01 1.05 -1.12 0.00 0.00 0.00 175.76 175.79 2dmx s SER 22 N -2.80 5.81 0.00 0.00 0.01 -1.26 -4.94 113.70 110.52 2dmx s SER 22 Ca 0.56 1.41 0.14 0.00 1.31 0.00 0.00 55.95 59.37 2dmx s SER 22 Cb -0.10 -2.36 0.68 0.00 0.21 0.00 0.00 66.02 64.45 2dmx s SER 22 CO 0.26 -1.14 1.43 -0.81 0.41 0.00 0.00 173.24 173.38 2dmx n PRO 23 N -2.92 0.11 -0.06 12.44 -0.04 -1.26 -2.70 135.00 140.57 2dmx n PRO 23 Ca 0.07 0.20 -0.17 0.00 -0.04 0.00 0.00 63.50 63.56 2dmx n PRO 23 Cb 0.55 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.39 0.69 0.11 0.54 2.13 -1.26 -4.06 120.64 117.41 2dmx n GLU 24 Ca 0.05 0.19 -0.13 0.00 0.66 0.00 0.00 57.16 57.93 2dmx n GLU 24 Cb 0.14 -1.62 -0.07 0.00 0.27 0.00 0.00 31.44 30.16 2dmx n GLU 24 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 2dmx h ASP 25 N 0.03 -0.30 -0.26 4.31 2.03 -1.90 -1.03 116.42 119.30 2dmx h ASP 25 Ca -0.48 0.03 0.08 0.00 -0.73 0.00 0.00 57.03 55.92 2dmx h ASP 25 Cb 2.01 0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 40.60 2dmx h ASP 25 CO 0.01 -0.18 0.21 0.40 -1.03 0.00 0.00 179.24 178.65 2dmx h ILE 26 N -0.26 0.76 0.21 4.15 2.04 -1.77 0.11 117.51 122.75 2dmx h ILE 26 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2dmx h ILE 26 Cb 0.24 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2dmx h ILE 26 CO -0.02 0.00 -0.10 0.50 0.00 0.00 0.00 178.15 178.53 2dmx h LYS 27 N 0.00 -0.28 -0.75 2.37 3.64 -1.49 -2.31 116.57 117.75 2dmx h LYS 27 Ca 0.13 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 2dmx h LYS 27 Cb 0.54 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 2dmx h LYS 27 CO -0.00 0.08 0.46 1.57 -2.27 0.00 0.00 179.45 179.29 2dmx h LYS 28 N -0.94 0.86 -0.50 1.90 2.10 -0.83 -2.32 116.57 116.84 2dmx h LYS 28 Ca -0.03 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.57 2dmx h LYS 28 Cb 0.48 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 31.59 2dmx h LYS 28 CO 0.05 0.57 0.31 0.00 -2.00 0.00 0.00 179.45 178.38 2dmx h ALA 29 N 1.34 0.64 0.31 0.07 0.00 -1.07 -3.15 119.26 117.39 2dmx h ALA 29 Ca 0.31 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2dmx h ALA 29 Cb 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2dmx h ALA 29 CO -0.14 0.12 -0.43 -0.92 0.00 0.00 0.00 179.25 177.88 2dmx h TYR 30 N 0.68 -1.22 -0.72 0.00 3.20 -0.87 0.23 116.97 118.26 2dmx h TYR 30 Ca 0.18 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.14 2dmx h TYR 30 Cb -0.02 0.49 -0.09 0.00 1.54 0.00 0.00 36.73 38.65 2dmx h TYR 30 CO -0.03 -0.54 -0.39 0.54 -1.64 0.00 0.00 178.16 176.09 2dmx n ARG 31 N -4.99 -0.28 -0.08 1.82 1.74 -1.02 0.50 116.66 114.35 2dmx n ARG 31 Ca -0.09 1.09 -0.11 0.00 -0.77 0.00 0.00 57.85 57.97 2dmx n ARG 31 Cb 0.37 -1.61 -0.04 0.00 -1.02 0.00 0.00 32.46 30.16 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 0.38 -0.17 5.56 6.56 -1.50 -3.23 116.57 124.17 2dmx h LYS 32 Ca 0.15 -0.10 0.03 0.00 -1.06 0.00 0.00 60.65 59.67 2dmx h LYS 32 Cb 0.33 -0.05 -0.07 0.00 -0.57 0.00 0.00 32.23 31.87 2dmx h LYS 32 CO -0.69 0.51 -0.53 -0.07 -2.06 0.00 0.00 179.45 176.61 2dmx h LEU 33 N 0.20 -1.71 -0.91 2.94 3.38 0.35 0.28 115.31 119.84 2dmx h LEU 33 Ca 0.07 0.21 0.18 0.00 0.09 0.00 0.00 57.88 58.43 2dmx h LEU 33 Cb 0.30 0.67 -0.17 0.00 0.09 0.00 0.00 40.66 41.55 2dmx h LEU 33 CO 0.00 -0.46 -0.23 0.00 0.09 0.00 0.00 178.44 177.84 2dmx n ALA 34 N -3.01 0.22 -0.01 1.53 0.00 0.66 0.14 120.51 120.04 2dmx n ALA 34 Ca -0.06 1.00 -0.10 0.00 0.00 0.00 0.00 53.44 54.29 2dmx n ALA 34 Cb 0.36 -0.60 0.04 0.00 0.00 0.00 0.00 19.45 19.26 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 0.66 -0.25 0.00 3.38 -1.29 -2.37 115.31 115.44 2dmx h LEU 35 Ca 0.44 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2dmx h LEU 35 Cb 0.66 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2dmx h LEU 35 CO -0.94 1.08 0.15 -0.09 0.09 0.00 0.00 178.44 178.73 2dmx h ARG 36 N 0.46 0.30 -0.70 1.13 1.12 0.47 -1.69 114.38 115.47 2dmx h ARG 36 Ca 0.01 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 2dmx h ARG 36 Cb 1.10 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.99 2dmx h ARG 36 CO 0.11 0.20 0.00 0.91 -3.11 0.00 0.00 179.97 178.07 2dmx n TRP 37 N -4.94 0.98 -2.13 2.20 7.02 0.65 -4.92 117.44 116.29 2dmx n TRP 37 Ca -0.02 -0.35 -0.41 0.00 -1.02 0.00 0.00 57.50 55.70 2dmx n TRP 37 Cb 0.04 -0.25 -0.02 0.00 -2.42 0.00 0.00 31.31 28.66 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 -1.83 3.09 0.12 -5.99 2.46 -0.64 -4.18 115.29 108.32 2dmx s HIS 38 Ca 0.28 1.36 -0.13 0.00 0.47 0.00 0.00 55.06 57.05 2dmx s HIS 38 Cb 0.20 -3.67 -0.06 0.00 -0.13 0.00 0.00 32.58 28.92 2dmx s HIS 38 CO 0.10 -1.90 1.45 -1.00 -2.47 0.00 0.00 174.74 170.93 2dmx h PRO 39 N 3.79 0.85 -0.38 2.88 0.13 -1.83 -2.88 132.00 134.56 2dmx h PRO 39 Ca -0.48 -0.45 -0.03 0.00 -0.87 0.00 0.00 66.00 64.17 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 1.09 0.09 0.22 -0.23 0.00 0.00 178.00 179.85 2dmx h ASP 40 N 0.64 0.51 1.33 1.44 3.58 -1.92 -1.54 116.42 120.46 2dmx h ASP 40 Ca 0.06 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 2dmx h ASP 40 Cb 0.93 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.85 2dmx h ASP 40 CO 0.09 0.51 -0.08 0.11 -2.88 0.00 0.00 179.24 176.99 2dmx h LYS 41 N 0.55 0.00 -4.42 0.28 1.79 -1.86 -3.39 116.57 109.51 2dmx h LYS 41 Ca 0.13 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 57.89 2dmx h LYS 41 Cb 0.21 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 30.55 2dmx h LYS 41 CO -0.00 0.08 -0.47 -0.80 -1.08 0.00 0.00 179.45 177.17 2dmx s ASN 42 N -6.00 5.51 -0.01 0.86 0.01 -0.58 -4.96 114.94 109.77 2dmx s ASN 42 Ca 0.03 -1.79 -0.25 0.00 -0.71 0.00 0.00 52.86 50.14 2dmx s ASN 42 Cb 0.08 -1.94 -0.19 0.00 0.41 0.00 0.00 41.25 39.61 2dmx s ASN 42 CO 0.61 -0.58 1.29 1.55 -1.51 0.00 0.00 177.10 178.46 2dmx h PRO 43 N 8.30 0.08 0.33 -0.60 0.13 -1.78 -3.28 132.00 135.17 2dmx h PRO 43 Ca -0.19 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2dmx h PRO 43 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 2dmx h PRO 43 CO 0.77 0.54 -0.37 -0.44 -0.23 0.00 0.00 178.00 178.26 2dmx h ASP 44 N -0.38 -1.03 -3.74 1.44 5.19 -1.93 -3.38 116.42 112.59 2dmx h ASP 44 Ca 0.01 0.09 -0.68 0.00 -0.62 0.00 0.00 57.03 55.83 2dmx h ASP 44 Cb 0.53 0.35 -0.34 0.00 0.18 0.00 0.00 39.33 40.05 2dmx h ASP 44 CO 0.01 -0.51 -0.69 0.54 -3.12 0.00 0.00 179.24 175.47 2dmx s ASN 45 N -4.59 4.90 -0.22 6.45 4.22 -1.25 -4.96 114.94 119.48 2dmx s ASN 45 Ca -0.17 -1.40 -0.18 0.00 -2.14 0.00 0.00 52.86 48.97 2dmx s ASN 45 Cb 0.06 -1.71 -0.14 0.00 1.28 0.00 0.00 41.25 40.74 2dmx s ASN 45 CO 0.63 -0.29 -0.03 0.29 -2.04 0.00 0.00 177.10 175.65 2dmx n LYS 46 N 4.59 0.55 0.30 3.55 4.01 -1.24 -4.16 118.16 125.77 2dmx n LYS 46 Ca -0.11 0.46 -0.12 0.00 -0.51 0.00 0.00 58.31 58.03 2dmx n LYS 46 Cb 0.43 -1.65 -0.06 0.00 -0.51 0.00 0.00 35.03 33.24 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 -0.75 -0.84 1.97 4.81 -1.91 -2.02 114.58 114.84 2dmx h GLU 47 Ca -0.37 0.05 0.33 0.00 -0.13 0.00 0.00 59.36 59.24 2dmx h GLU 47 Cb 1.25 0.17 -0.15 0.00 0.63 0.00 0.00 28.75 30.65 2dmx h GLU 47 CO -0.22 -0.50 0.36 -1.91 -0.73 0.00 0.00 179.01 176.01 2dmx n GLU 48 N -4.44 -0.05 -0.06 1.92 2.13 -1.26 0.17 120.64 119.05 2dmx n GLU 48 Ca -0.10 1.18 -0.13 0.00 0.66 0.00 0.00 57.16 58.77 2dmx n GLU 48 Cb 0.31 -2.06 -0.07 0.00 0.27 0.00 0.00 31.44 29.89 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 1.68 0.26 -0.49 4.31 0.00 -1.69 -3.27 119.26 120.06 2dmx h ALA 49 Ca 0.67 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 55.29 2dmx h ALA 49 Cb 1.70 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 19.35 2dmx h ALA 49 CO -0.68 0.18 -0.52 0.93 0.00 0.00 0.00 179.25 179.16 2dmx h GLU 50 N 0.08 -0.32 -0.67 0.00 5.08 0.25 -1.16 114.58 117.85 2dmx h GLU 50 Ca 0.03 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.52 2dmx h GLU 50 Cb 0.74 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.94 2dmx h GLU 50 CO 0.05 -0.21 -0.38 -0.22 -1.00 0.00 0.00 179.01 177.25 2dmx h LYS 51 N -0.33 -0.14 -0.89 2.33 1.63 -1.55 0.27 116.57 117.90 2dmx h LYS 51 Ca 0.11 0.01 0.21 0.00 -0.85 0.00 0.00 60.65 60.13 2dmx h LYS 51 Cb 0.58 0.03 -0.12 0.00 -0.60 0.00 0.00 32.23 32.12 2dmx h LYS 51 CO -0.64 -0.10 0.38 0.87 -3.45 0.00 0.00 179.45 176.52 2dmx h LYS 52 N -0.15 0.39 -0.50 1.90 1.79 -1.28 -0.39 116.57 118.33 2dmx h LYS 52 Ca 0.24 -0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.78 2dmx h LYS 52 Cb 0.56 -0.09 -0.10 0.00 -1.58 0.00 0.00 32.23 31.02 2dmx h LYS 52 CO -0.74 0.26 -0.21 0.35 -1.08 0.00 0.00 179.45 178.02 2dmx h PHE 53 N 0.40 -0.52 -0.62 -1.35 3.57 0.18 0.11 116.94 118.71 2dmx h PHE 53 Ca 0.55 0.05 0.03 0.00 3.53 0.00 0.00 57.97 62.13 2dmx h PHE 53 Cb 1.03 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 40.04 2dmx h PHE 53 CO -0.14 -0.30 0.38 -0.22 -2.23 0.00 0.00 178.31 175.80 2dmx h LYS 54 N -0.10 0.73 0.14 1.11 1.63 -0.97 -2.49 116.57 116.62 2dmx h LYS 54 Ca 0.24 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 2dmx h LYS 54 Cb 0.46 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 2dmx h LYS 54 CO -0.57 0.48 -0.11 -0.07 -3.45 0.00 0.00 179.45 175.74 2dmx h LEU 55 N 0.75 -0.29 -0.63 5.20 -0.00 -0.75 0.21 115.31 119.81 2dmx h LEU 55 Ca 0.25 0.03 0.13 0.00 -0.00 0.00 0.00 57.88 58.28 2dmx h LEU 55 Cb 0.01 0.10 -0.10 0.00 -0.00 0.00 0.00 40.66 40.67 2dmx h LEU 55 CO -0.10 -0.18 0.03 0.58 -0.00 0.00 0.00 178.44 178.77 2dmx h VAL 56 N -0.26 0.50 0.01 1.22 2.07 -0.61 0.28 116.25 119.46 2dmx h VAL 56 Ca -0.00 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2dmx h VAL 56 Cb 0.24 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2dmx h VAL 56 CO -0.01 0.03 -0.01 -1.28 0.02 0.00 0.00 177.57 176.32 2dmx h SER 57 N 0.14 -0.01 0.24 0.57 0.87 -1.16 -0.39 113.55 113.80 2dmx h SER 57 Ca 0.33 -0.41 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 2dmx h SER 57 Cb 0.54 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2dmx h SER 57 CO -0.52 0.40 -0.27 -0.08 -0.53 0.00 0.00 176.83 175.84 2dmx h GLU 58 N -0.43 -0.49 -0.84 2.24 4.57 0.11 -2.02 114.58 117.72 2dmx h GLU 58 Ca -0.00 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.31 2dmx h GLU 58 Cb 0.42 0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 29.05 2dmx h GLU 58 CO 0.00 -0.33 0.48 0.00 -1.18 0.00 0.00 179.01 177.98 2dmx h ALA 59 N -1.26 1.20 -1.00 2.92 0.00 -0.59 0.46 119.26 120.99 2dmx h ALA 59 Ca -0.03 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.13 2dmx h ALA 59 Cb 0.45 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.01 2dmx h ALA 59 CO -0.05 0.09 0.62 -0.92 0.00 0.00 0.00 179.25 178.99 2dmx h TYR 60 N 0.79 0.93 0.01 0.00 3.20 -0.76 -1.07 116.97 120.06 2dmx h TYR 60 Ca 0.41 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.22 2dmx h TYR 60 Cb 0.39 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2dmx h TYR 60 CO -0.06 0.17 -0.48 0.93 -1.64 0.00 0.00 178.16 177.07 2dmx h GLU 61 N 0.63 0.01 -1.20 1.82 5.08 -0.46 -2.23 114.58 118.23 2dmx h GLU 61 Ca 0.58 -0.03 0.37 0.00 -1.00 0.00 0.00 59.36 59.28 2dmx h GLU 61 Cb 1.09 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.24 2dmx h GLU 61 CO -0.36 1.01 0.77 0.28 -1.00 0.00 0.00 179.01 179.72 2dmx h VAL 62 N -0.96 0.28 0.09 3.13 2.07 -0.43 0.19 116.25 120.62 2dmx h VAL 62 Ca -0.13 -0.07 -0.29 0.00 0.82 0.00 0.00 66.70 67.03 2dmx h VAL 62 Cb 1.14 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2dmx h VAL 62 CO -0.06 0.04 -1.52 -0.07 0.02 0.00 0.00 177.57 175.97 2dmx h LEU 63 N 0.20 0.29 -0.56 2.57 3.38 -1.33 0.91 115.31 120.77 2dmx h LEU 63 Ca 0.73 -0.79 0.10 0.00 0.09 0.00 0.00 57.88 58.01 2dmx h LEU 63 Cb 2.14 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 42.71 2dmx h LEU 63 CO -0.37 1.65 0.09 0.28 0.09 0.00 0.00 178.44 180.17 2dmx h SER 64 N -0.39 -0.06 -4.04 -0.43 0.02 -0.38 -3.40 113.55 104.87 2dmx h SER 64 Ca -0.35 0.11 -0.49 0.00 -0.84 0.00 0.00 61.79 60.23 2dmx h SER 64 Cb 1.71 0.17 0.16 0.00 0.14 0.00 0.00 62.40 64.58 2dmx h SER 64 CO -0.00 -0.01 0.22 -1.81 -1.14 0.00 0.00 176.83 174.09 2dmx s ASP 65 N -5.29 3.19 -0.16 3.07 1.01 0.46 -4.96 116.67 113.99 2dmx s ASP 65 Ca -0.13 1.69 -0.02 0.00 0.71 0.00 0.00 52.55 54.81 2dmx s ASP 65 Cb 0.17 -2.33 -0.23 0.00 1.01 0.00 0.00 42.92 41.54 2dmx s ASP 65 CO 0.73 -2.85 0.19 -1.54 0.21 0.00 0.00 175.17 171.91 2dmx n SER 66 N -4.04 1.91 -0.06 0.27 3.41 -1.26 -2.92 113.62 110.93 2dmx n SER 66 Ca 0.08 0.10 -0.12 0.00 -0.26 0.00 0.00 58.87 58.67 2dmx n SER 66 Cb 0.54 -0.59 -0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.04 0.80 0.00 4.33 2.10 -1.94 -2.81 116.57 119.09 2dmx h LYS 67 Ca -0.47 -0.47 -0.02 0.00 -2.00 0.00 0.00 60.65 57.69 2dmx h LYS 67 Cb 2.00 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 33.37 2dmx h LYS 67 CO 0.03 1.10 -0.07 0.87 -2.00 0.00 0.00 179.45 179.38 2dmx h LYS 68 N 0.62 0.05 -0.45 0.07 1.57 -1.76 -1.77 116.57 114.90 2dmx h LYS 68 Ca 0.03 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.85 2dmx h LYS 68 Cb 1.08 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 33.30 2dmx h LYS 68 CO 0.11 0.83 -0.27 -0.09 -0.57 0.00 0.00 179.45 179.46 2dmx h ARG 69 N -0.72 -0.17 -0.08 3.15 9.65 0.10 0.29 114.38 126.60 2dmx h ARG 69 Ca -0.01 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2dmx h ARG 69 Cb 0.86 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.47 2dmx h ARG 69 CO 0.01 -0.12 -0.03 0.77 2.80 0.00 0.00 179.97 183.41 2dmx h SER 70 N -0.18 0.16 -0.87 -3.80 0.02 -1.61 -3.11 113.55 104.15 2dmx h SER 70 Ca 0.20 -0.39 0.17 0.00 -0.84 0.00 0.00 61.79 60.93 2dmx h SER 70 Cb 0.51 -0.04 -0.10 0.00 0.14 0.00 0.00 62.40 62.90 2dmx h SER 70 CO -0.56 0.51 0.44 -0.07 -1.14 0.00 0.00 176.83 176.01 2dmx h LEU 71 N -0.19 0.49 0.19 5.07 3.38 -0.66 -2.30 115.31 121.28 2dmx h LEU 71 Ca 0.02 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2dmx h LEU 71 Cb 0.45 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2dmx h LEU 71 CO 0.01 0.16 -0.48 0.22 0.09 0.00 0.00 178.44 178.44 2dmx h TYR 72 N 0.57 -1.39 -0.97 1.13 3.20 -0.38 -1.66 116.97 117.48 2dmx h TYR 72 Ca 0.50 0.03 0.30 0.00 3.14 0.00 0.00 58.73 62.70 2dmx h TYR 72 Cb 0.78 0.58 -0.17 0.00 1.54 0.00 0.00 36.73 39.46 2dmx h TYR 72 CO -0.10 -0.56 0.19 0.22 -1.64 0.00 0.00 178.16 176.27 2dmx h ASP 73 N -0.74 -0.20 0.71 -2.11 1.82 -1.42 0.19 116.42 114.67 2dmx h ASP 73 Ca -0.02 0.26 -0.03 0.00 -0.39 0.00 0.00 57.03 56.85 2dmx h ASP 73 Cb 0.72 0.39 -0.00 0.00 0.68 0.00 0.00 39.33 41.12 2dmx h ASP 73 CO -0.22 -0.34 -0.41 0.03 -1.61 0.00 0.00 179.24 176.69 2dmx h ARG 74 N 0.05 -1.01 -0.07 0.28 3.08 -1.21 -2.96 114.38 112.55 2dmx h ARG 74 Ca 0.65 0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.80 2dmx h ARG 74 Cb 1.45 0.23 -0.04 0.00 0.08 0.00 0.00 29.97 31.69 2dmx h ARG 74 CO -0.84 -0.67 -0.14 0.00 -1.07 0.00 0.00 179.97 177.25 2dmx h ALA 75 N -0.83 -0.11 -1.00 0.04 0.00 -0.26 -2.26 119.26 114.83 2dmx h ALA 75 Ca -0.09 0.03 0.37 0.00 0.00 0.00 0.00 54.91 55.22 2dmx h ALA 75 Cb 0.84 0.27 -0.18 0.00 0.00 0.00 0.00 17.79 18.72 2dmx h ALA 75 CO 0.11 -0.61 0.37 0.41 0.00 0.00 0.00 179.25 179.52 2dmx n GLY 76 N -1.28 -0.95 3.49 0.00 0.00 0.43 -3.68 105.19 103.20 2dmx n GLY 76 Ca -0.04 0.87 -0.43 0.00 0.00 0.00 0.00 46.02 46.41 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 2.65 -0.40 -0.09 0.00 -4.77 -1.24 -4.93 116.67 107.89 2dmx s ASP 78 Ca 0.23 -0.28 -0.00 0.00 -3.30 0.00 0.00 52.55 49.20 2dmx s ASP 78 Cb -0.16 0.63 -0.00 0.00 -1.09 0.00 0.00 42.92 42.30 2dmx s ASP 78 CO 0.16 -1.09 0.02 0.28 0.70 0.00 0.00 175.17 175.23 2dmx h SER 79 N 2.00 -0.01 -2.85 2.11 0.02 -1.94 -3.45 113.55 109.42 2dmx h SER 79 Ca -0.26 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.22 2dmx h SER 79 Cb 1.27 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.42 2dmx h SER 79 CO 0.30 0.42 -0.75 0.26 -1.14 0.00 0.00 176.83 175.93 2dmx s TRP 80 N -1.53 0.17 -0.24 3.45 0.52 -1.26 -5.12 118.94 114.93 2dmx s TRP 80 Ca -0.00 -0.49 -0.04 0.00 0.02 0.00 0.00 56.10 55.59 2dmx s TRP 80 Cb 0.00 -0.74 0.00 0.00 -1.15 0.00 0.00 33.47 31.59 2dmx s TRP 80 CO 0.01 -0.67 -0.03 0.50 0.02 0.00 0.00 176.95 176.77 2dmx s ARG 81 N 2.15 3.18 0.39 4.98 3.52 -1.26 -5.11 118.95 126.80 2dmx s ARG 81 Ca 0.06 -0.76 0.08 0.00 -0.13 0.00 0.00 55.73 54.97 2dmx s ARG 81 Cb -0.16 -3.05 -0.06 0.00 -1.56 0.00 0.00 34.95 30.13 2dmx s ARG 81 CO -0.22 -0.29 0.12 0.00 -0.81 0.00 0.00 175.30 174.10 2dmx s ALA 82 N 1.44 3.45 0.00 6.12 0.00 -1.26 -5.11 121.76 126.39 2dmx s ALA 82 Ca 0.04 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 49.92 2dmx s ALA 82 Cb -0.15 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2dmx s ALA 82 CO -0.03 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.05 2dmx n GLY 83 N -1.14 -0.61 0.00 0.00 0.00 -1.26 -5.13 105.19 97.05 2dmx n GLY 83 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.37 3.47 -0.02 0.00 -1.26 -5.15 105.19 99.86 2dmx n GLY 84 Ca 0.00 0.83 -0.28 0.00 0.00 0.00 0.00 46.02 46.57 2dmx n GLY 84 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dmx s GLY 85 N 0.00 1.69 0.01 -0.02 0.00 -1.26 -5.14 107.32 102.60 2dmx s GLY 85 Ca 0.00 -1.48 -0.02 0.00 0.00 0.00 0.00 44.72 43.23 2dmx s GLY 85 CO 0.00 -1.48 0.02 0.00 0.00 0.00 0.00 173.10 171.64 2dmx s ALA 86 N -1.39 -0.01 0.14 3.20 0.00 -1.26 -5.16 121.76 117.28 2dmx s ALA 86 Ca 0.19 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.82 2dmx s ALA 86 Cb -0.09 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 2dmx s ALA 86 CO 0.10 -0.15 0.14 0.45 0.00 0.00 0.00 175.76 176.30 2dmx s SER 87 N -1.20 5.62 0.61 0.00 0.15 -1.26 -5.12 113.70 112.50 2dmx s SER 87 Ca -0.13 -0.06 -0.02 0.00 0.70 0.00 0.00 55.95 56.44 2dmx s SER 87 Cb -0.08 -1.51 0.04 0.00 -1.71 0.00 0.00 66.02 62.76 2dmx s SER 87 CO -0.00 0.10 0.87 -0.83 1.20 0.00 0.00 173.24 174.57 2dmx s GLY 88 N -2.92 1.77 0.58 9.45 0.00 -1.26 -5.07 107.32 109.87 2dmx s GLY 88 Ca 0.31 -1.16 -0.18 0.00 0.00 0.00 0.00 44.72 43.69 2dmx s GLY 88 CO 0.24 -0.83 1.12 2.56 0.00 0.00 0.00 173.10 176.19 2dmx s PRO 89 N -4.95 3.16 -0.11 2.90 0.04 -1.26 -5.01 135.00 129.78 2dmx s PRO 89 Ca 0.58 1.54 -0.06 0.00 0.04 0.00 0.00 61.00 63.09 2dmx s PRO 89 Cb -0.10 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 2dmx s PRO 89 CO 0.41 -0.99 0.16 1.03 0.04 0.00 0.00 177.00 177.65 2dmx h SER 90 N 0.79 0.00 -5.64 6.66 0.87 -2.09 -3.48 113.55 110.67 2dmx h SER 90 Ca -0.49 -0.21 -0.37 0.00 -1.23 0.00 0.00 61.79 59.49 2dmx h SER 90 Cb 1.26 0.00 0.14 0.00 -0.44 0.00 0.00 62.40 63.36 2dmx h SER 90 CO 0.56 0.61 -0.67 -0.24 -0.53 0.00 0.00 176.83 176.56 2dmx n SER 91 N -4.74 -5.35 0.00 6.23 2.88 -1.26 -5.36 113.62 106.02 2dmx n SER 91 Ca -0.02 -0.54 0.00 0.00 -1.33 0.00 0.00 58.87 56.98 2dmx n SER 91 Cb 0.11 -4.89 0.00 0.00 -0.75 0.00 0.00 64.21 58.68 2dmx n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42