#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 -2.23 -3.73 1.61 3.41 -1.26 -5.05 113.62 106.37 2dmx n SER 2 Ca 0.00 -0.22 -0.12 0.00 -0.26 0.00 0.00 58.87 58.27 2dmx n SER 2 Cb 0.00 -1.11 -0.11 0.00 -0.26 0.00 0.00 64.21 62.73 2dmx n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dmx s SER 3 N -2.19 -0.42 0.17 4.04 1.04 -1.26 -5.10 113.70 109.99 2dmx s SER 3 Ca 0.63 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.84 2dmx s SER 3 Cb -0.19 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2dmx s SER 3 CO 0.65 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.33 2dmx n GLY 4 N 3.47 2.40 3.43 7.32 0.00 -1.26 -4.44 105.19 116.10 2dmx n GLY 4 Ca -0.18 0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2dmx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmx s SER 5 N -4.00 3.64 0.18 1.61 0.15 -1.26 -5.14 113.70 108.88 2dmx s SER 5 Ca 0.00 -0.47 0.03 0.00 0.70 0.00 0.00 55.95 56.22 2dmx s SER 5 Cb 0.00 -0.53 -0.05 0.00 -1.71 0.00 0.00 66.02 63.73 2dmx s SER 5 CO 0.00 0.26 -0.03 -0.44 1.20 0.00 0.00 173.24 174.23 2dmx s SER 6 N -1.37 1.55 0.00 5.45 0.01 -1.26 -5.12 113.70 112.96 2dmx s SER 6 Ca 0.14 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.26 2dmx s SER 6 Cb -0.10 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2dmx s SER 6 CO 0.04 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.82 2dmx n GLY 7 N -0.27 -1.36 3.78 3.44 0.00 -1.26 -4.75 105.19 104.77 2dmx n GLY 7 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 2dmx n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dmx s MET 8 N 0.00 2.66 -0.20 1.61 -2.45 -1.26 -5.04 119.30 114.62 2dmx s MET 8 Ca 0.00 1.21 -0.03 0.00 -1.25 0.00 0.00 55.69 55.62 2dmx s MET 8 Cb 0.00 -1.94 -0.01 0.00 1.25 0.00 0.00 34.83 34.13 2dmx s MET 8 CO 0.00 -1.34 -0.06 0.00 1.05 0.00 0.00 175.02 174.67 2dmx s ALA 9 N -2.69 2.77 0.10 4.11 0.00 -1.26 -5.09 121.76 119.70 2dmx s ALA 9 Ca 0.63 -1.12 -0.31 0.00 0.00 0.00 0.00 51.96 51.16 2dmx s ALA 9 Cb -0.18 -1.61 -0.07 0.00 0.00 0.00 0.00 23.12 21.27 2dmx s ALA 9 CO 0.49 -0.32 1.27 0.54 0.00 0.00 0.00 175.76 177.75 2dmx s ASN 10 N 1.29 6.98 0.05 0.00 2.20 -1.26 -4.96 114.94 119.24 2dmx s ASN 10 Ca 0.03 2.16 -0.34 0.00 -0.94 0.00 0.00 52.86 53.77 2dmx s ASN 10 Cb -0.14 -2.58 -0.19 0.00 -2.00 0.00 0.00 41.25 36.33 2dmx s ASN 10 CO -0.03 -0.53 1.48 1.88 -2.94 0.00 0.00 177.10 176.97 2dmx h TYR 11 N 6.64 -1.06 -1.07 1.54 0.05 -1.98 -2.46 116.97 118.62 2dmx h TYR 11 Ca -0.42 -0.03 0.42 0.00 0.05 0.00 0.00 58.73 58.75 2dmx h TYR 11 Cb 1.21 0.35 -0.17 0.00 1.01 0.00 0.00 36.73 39.13 2dmx h TYR 11 CO 0.66 -0.65 0.61 1.88 -1.05 0.00 0.00 178.16 179.60 2dmx h TYR 12 N -1.22 0.78 0.24 4.88 0.05 -1.93 0.35 116.97 120.13 2dmx h TYR 12 Ca -0.12 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 2dmx h TYR 12 Cb 0.89 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.45 2dmx h TYR 12 CO -0.01 -0.41 -0.11 0.93 -1.05 0.00 0.00 178.16 177.51 2dmx h GLU 13 N 0.03 -0.31 -0.87 4.88 4.39 -1.71 0.26 114.58 121.26 2dmx h GLU 13 Ca 0.84 0.02 0.22 0.00 0.34 0.00 0.00 59.36 60.79 2dmx h GLU 13 Cb 2.30 0.07 -0.15 0.00 -0.10 0.00 0.00 28.75 30.87 2dmx h GLU 13 CO -0.70 0.02 0.06 0.28 -1.16 0.00 0.00 179.01 177.52 2dmx h VAL 14 N -0.68 0.22 0.09 3.13 2.07 0.15 0.09 116.25 121.33 2dmx h VAL 14 Ca -0.03 -0.03 -0.24 0.00 0.82 0.00 0.00 66.70 67.22 2dmx h VAL 14 Cb 0.47 0.12 0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2dmx h VAL 14 CO 0.05 0.02 -0.99 -0.07 0.02 0.00 0.00 177.57 176.60 2dmx h LEU 15 N 0.09 0.71 0.00 2.57 3.38 -1.41 -3.48 115.31 117.18 2dmx h LEU 15 Ca 0.51 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2dmx h LEU 15 Cb 0.99 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2dmx h LEU 15 CO -0.76 1.47 0.00 0.61 0.09 0.00 0.00 178.44 179.85 2dmx n GLY 16 N 1.35 0.91 3.22 0.83 0.00 0.78 -4.97 105.19 107.30 2dmx n GLY 16 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.80 0.10 0.22 1.61 -7.23 -0.39 -5.02 120.40 107.89 2dmx s VAL 17 Ca 0.00 -1.70 0.09 0.00 -1.81 0.00 0.00 61.98 58.56 2dmx s VAL 17 Cb 0.00 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 2dmx s VAL 17 CO 0.00 -0.43 -0.01 -1.10 -0.31 0.00 0.00 175.10 173.25 2dmx s GLN 18 N -4.01 2.33 0.26 4.82 -0.21 -1.26 -4.42 119.66 117.17 2dmx s GLN 18 Ca 0.20 -1.27 -0.02 0.00 0.02 0.00 0.00 55.36 54.30 2dmx s GLN 18 Cb 0.06 -2.25 0.56 0.00 1.00 0.00 0.00 33.01 32.38 2dmx s GLN 18 CO 0.00 0.41 1.68 0.00 -2.12 0.00 0.00 175.29 175.26 2dmx h ALA 19 N 2.32 1.10 -0.35 6.09 0.00 -2.01 0.58 119.26 126.99 2dmx h ALA 19 Ca -0.46 0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.73 2dmx h ALA 19 Cb 1.23 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2dmx h ALA 19 CO 0.58 -0.35 0.38 0.66 0.00 0.00 0.00 179.25 180.53 2dmx h SER 20 N 0.29 0.00 -3.37 0.00 4.64 -2.07 -3.42 113.55 109.62 2dmx h SER 20 Ca 0.47 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.22 2dmx h SER 20 Cb 0.84 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.07 2dmx h SER 20 CO -0.54 0.00 0.26 0.00 -0.87 0.00 0.00 176.83 175.68 2dmx n ALA 21 N -2.34 0.55 -1.47 5.18 0.00 0.20 -4.96 120.51 117.68 2dmx n ALA 21 Ca 0.06 0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.37 2dmx n ALA 21 Cb 0.55 -2.15 0.08 0.00 0.00 0.00 0.00 19.45 17.92 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 -0.82 4.76 0.00 0.00 0.01 -1.26 -4.92 113.70 111.46 2dmx s SER 22 Ca 0.66 1.55 0.15 0.00 1.31 0.00 0.00 55.95 59.62 2dmx s SER 22 Cb -0.50 -2.33 0.69 0.00 0.21 0.00 0.00 66.02 64.09 2dmx s SER 22 CO 0.54 -1.83 1.43 -0.81 0.41 0.00 0.00 173.24 172.97 2dmx n PRO 23 N -3.37 0.13 -0.06 12.44 -0.04 -1.26 -2.79 135.00 140.04 2dmx n PRO 23 Ca 0.08 0.19 -0.20 0.00 -0.04 0.00 0.00 63.50 63.53 2dmx n PRO 23 Cb 0.54 -1.50 -0.13 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 -1.37 0.71 -0.23 0.54 2.13 -1.26 -3.83 120.64 117.33 2dmx n GLU 24 Ca 0.06 0.21 -0.06 0.00 0.66 0.00 0.00 57.16 58.03 2dmx n GLU 24 Cb 0.14 -1.62 0.04 0.00 0.27 0.00 0.00 31.44 30.27 2dmx n GLU 24 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2dmx h ASP 25 N 0.03 0.76 -0.68 4.31 3.32 -1.90 -1.96 116.42 120.30 2dmx h ASP 25 Ca -0.50 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.47 2dmx h ASP 25 Cb 1.97 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 41.30 2dmx h ASP 25 CO 0.00 0.58 0.28 0.40 -1.72 0.00 0.00 179.24 178.78 2dmx h ILE 26 N 0.87 1.24 0.21 0.35 2.04 -1.74 -0.57 117.51 119.91 2dmx h ILE 26 Ca 0.23 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 2dmx h ILE 26 Cb -0.05 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2dmx h ILE 26 CO -0.05 0.30 -0.11 0.11 0.00 0.00 0.00 178.15 178.40 2dmx h LYS 27 N 0.96 -0.29 -0.60 2.37 1.57 -1.57 -1.82 116.57 117.20 2dmx h LYS 27 Ca 0.23 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2dmx h LYS 27 Cb 0.20 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2dmx h LYS 27 CO -0.02 -0.19 0.34 1.57 -0.57 0.00 0.00 179.45 180.57 2dmx h LYS 28 N -0.30 0.83 -0.75 3.15 2.10 -1.26 -2.43 116.57 117.91 2dmx h LYS 28 Ca -0.02 -0.09 0.10 0.00 -2.00 0.00 0.00 60.65 58.64 2dmx h LYS 28 Cb 0.24 -0.17 -0.08 0.00 -0.90 0.00 0.00 32.23 31.33 2dmx h LYS 28 CO 0.03 0.63 0.38 0.00 -2.00 0.00 0.00 179.45 178.48 2dmx h ALA 29 N 1.16 1.05 0.76 0.07 0.00 -0.89 -2.70 119.26 118.71 2dmx h ALA 29 Ca 0.21 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 2dmx h ALA 29 Cb 0.03 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2dmx h ALA 29 CO -0.04 -0.04 -0.37 -0.92 0.00 0.00 0.00 179.25 177.88 2dmx h TYR 30 N 0.62 -0.95 -0.82 0.00 3.20 -0.98 0.56 116.97 118.60 2dmx h TYR 30 Ca 0.37 -0.02 0.21 0.00 3.14 0.00 0.00 58.73 62.43 2dmx h TYR 30 Cb 0.42 0.31 -0.15 0.00 1.54 0.00 0.00 36.73 38.85 2dmx h TYR 30 CO -0.10 -0.59 -0.06 0.54 -1.64 0.00 0.00 178.16 176.31 2dmx n ARG 31 N -5.16 -0.07 0.02 1.82 1.74 -0.95 -0.01 116.66 114.05 2dmx n ARG 31 Ca -0.13 1.25 -0.12 0.00 -0.77 0.00 0.00 57.85 58.08 2dmx n ARG 31 Cb 0.40 -1.95 -0.09 0.00 -1.02 0.00 0.00 32.46 29.81 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 -0.12 -0.69 5.56 6.56 -1.41 -3.31 116.57 123.16 2dmx h LYS 32 Ca 0.46 0.01 0.12 0.00 -1.06 0.00 0.00 60.65 60.18 2dmx h LYS 32 Cb 0.88 0.03 -0.13 0.00 -0.57 0.00 0.00 32.23 32.44 2dmx h LYS 32 CO -0.80 0.40 -0.33 -0.07 -2.06 0.00 0.00 179.45 176.59 2dmx h LEU 33 N -0.74 -1.18 -0.88 2.94 3.38 0.19 0.24 115.31 119.26 2dmx h LEU 33 Ca -0.01 0.24 0.20 0.00 0.09 0.00 0.00 57.88 58.40 2dmx h LEU 33 Cb 0.57 0.60 -0.16 0.00 0.09 0.00 0.00 40.66 41.76 2dmx h LEU 33 CO 0.02 -0.30 -0.10 0.00 0.09 0.00 0.00 178.44 178.15 2dmx h ALA 34 N 1.14 0.79 -0.12 1.53 0.00 -0.93 0.41 119.26 122.07 2dmx h ALA 34 Ca 0.27 0.32 -0.21 0.00 0.00 0.00 0.00 54.91 55.29 2dmx h ALA 34 Cb 0.56 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2dmx h ALA 34 CO -0.75 -0.45 -0.76 -0.07 0.00 0.00 0.00 179.25 177.22 2dmx h LEU 35 N 0.03 0.75 0.45 0.00 3.38 -0.88 -2.52 115.31 116.51 2dmx h LEU 35 Ca 0.47 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2dmx h LEU 35 Cb 0.82 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2dmx h LEU 35 CO -0.85 1.27 -0.28 -0.09 0.09 0.00 0.00 178.44 178.58 2dmx h ARG 36 N 0.43 -0.67 -0.72 1.13 1.12 0.27 -1.89 114.38 114.05 2dmx h ARG 36 Ca -0.04 0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2dmx h ARG 36 Cb 1.36 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 31.47 2dmx h ARG 36 CO 0.15 -0.45 0.00 0.91 -3.11 0.00 0.00 179.97 177.47 2dmx n TRP 37 N -5.41 0.37 -2.08 2.20 7.02 0.92 -4.89 117.44 115.56 2dmx n TRP 37 Ca -0.11 -0.14 -0.41 0.00 -1.02 0.00 0.00 57.50 55.83 2dmx n TRP 37 Cb 0.31 -0.14 -0.02 0.00 -2.42 0.00 0.00 31.31 29.04 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 -1.48 3.01 0.09 -5.99 2.46 -0.71 -4.07 115.29 108.61 2dmx s HIS 38 Ca 0.11 1.36 -0.16 0.00 0.47 0.00 0.00 55.06 56.84 2dmx s HIS 38 Cb 0.08 -3.72 -0.09 0.00 -0.13 0.00 0.00 32.58 28.71 2dmx s HIS 38 CO 0.04 -2.02 1.41 -1.00 -2.47 0.00 0.00 174.74 170.70 2dmx h PRO 39 N 3.54 0.65 -0.83 2.88 0.13 -1.84 -2.84 132.00 133.70 2dmx h PRO 39 Ca -0.49 -0.35 0.01 0.00 -0.87 0.00 0.00 66.00 64.31 2dmx h PRO 39 Cb 1.23 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 2dmx h PRO 39 CO 0.67 0.95 0.55 0.22 -0.23 0.00 0.00 178.00 180.16 2dmx h ASP 40 N 0.38 0.95 1.14 1.44 1.82 -1.92 -0.83 116.42 119.40 2dmx h ASP 40 Ca 0.04 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 2dmx h ASP 40 Cb 0.83 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 40.60 2dmx h ASP 40 CO 0.07 0.68 -0.07 0.11 -1.61 0.00 0.00 179.24 178.42 2dmx h LYS 41 N 1.12 0.00 -4.43 0.28 6.56 -1.86 -3.39 116.57 114.84 2dmx h LYS 41 Ca 0.31 0.00 -0.71 0.00 -1.06 0.00 0.00 60.65 59.19 2dmx h LYS 41 Cb -0.11 0.00 -0.31 0.00 -0.57 0.00 0.00 32.23 31.24 2dmx h LYS 41 CO -0.07 0.07 -0.49 -0.80 -2.06 0.00 0.00 179.45 176.10 2dmx s ASN 42 N -5.91 5.48 -0.02 0.86 0.01 -0.32 -4.97 114.94 110.07 2dmx s ASN 42 Ca 0.02 -1.80 -0.25 0.00 -0.71 0.00 0.00 52.86 50.11 2dmx s ASN 42 Cb 0.09 -1.92 -0.19 0.00 0.41 0.00 0.00 41.25 39.63 2dmx s ASN 42 CO 0.59 -0.57 1.22 1.55 -1.51 0.00 0.00 177.10 178.38 2dmx h PRO 43 N 8.27 -0.07 0.03 -0.60 0.13 -1.77 -3.29 132.00 134.70 2dmx h PRO 43 Ca -0.19 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.97 2dmx h PRO 43 Cb 1.07 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.16 2dmx h PRO 43 CO 0.75 0.39 -0.50 -0.44 -0.23 0.00 0.00 178.00 177.98 2dmx h ASP 44 N -0.56 -1.52 -3.81 1.44 3.32 -1.93 -3.37 116.42 109.99 2dmx h ASP 44 Ca -0.01 0.17 -0.68 0.00 0.02 0.00 0.00 57.03 56.54 2dmx h ASP 44 Cb 0.49 0.58 -0.35 0.00 0.22 0.00 0.00 39.33 40.27 2dmx h ASP 44 CO 0.01 -0.51 -0.74 0.54 -1.72 0.00 0.00 179.24 176.82 2dmx s ASN 45 N -4.74 4.70 -0.13 6.45 4.22 -1.25 -4.99 114.94 119.21 2dmx s ASN 45 Ca -0.16 -1.36 -0.10 0.00 -2.14 0.00 0.00 52.86 49.11 2dmx s ASN 45 Cb 0.07 -1.64 -0.03 0.00 1.28 0.00 0.00 41.25 40.93 2dmx s ASN 45 CO 0.62 -0.24 -0.19 0.29 -2.04 0.00 0.00 177.10 175.54 2dmx n LYS 46 N 4.53 0.39 0.21 3.55 4.01 -1.24 -4.10 118.16 125.51 2dmx n LYS 46 Ca -0.13 0.39 -0.15 0.00 -0.51 0.00 0.00 58.31 57.91 2dmx n LYS 46 Cb 0.43 -1.46 -0.09 0.00 -0.51 0.00 0.00 35.03 33.40 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 -0.83 -0.78 -0.89 1.97 4.57 -1.91 -1.97 114.58 114.73 2dmx h GLU 47 Ca 0.00 0.05 0.11 0.00 -1.18 0.00 0.00 59.36 58.34 2dmx h GLU 47 Cb 0.54 0.18 -0.12 0.00 -0.16 0.00 0.00 28.75 29.19 2dmx h GLU 47 CO 0.00 -0.52 -0.44 -1.91 -1.18 0.00 0.00 179.01 174.95 2dmx n GLU 48 N -5.11 -0.31 -0.26 1.92 2.13 -1.26 0.10 120.64 117.85 2dmx n GLU 48 Ca -0.10 1.35 0.04 0.00 0.66 0.00 0.00 57.16 59.12 2dmx n GLU 48 Cb 0.39 -2.00 0.17 0.00 0.27 0.00 0.00 31.44 30.27 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 0.80 1.07 -0.38 4.31 0.00 -1.65 -2.49 119.26 120.91 2dmx h ALA 49 Ca 0.22 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.27 2dmx h ALA 49 Cb 0.44 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 2dmx h ALA 49 CO -0.86 -0.10 -0.48 1.49 0.00 0.00 0.00 179.25 179.31 2dmx h GLU 50 N 0.57 -0.36 -0.86 0.00 4.81 0.14 -1.58 114.58 117.30 2dmx h GLU 50 Ca 0.39 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.76 2dmx h GLU 50 Cb 0.50 0.08 -0.13 0.00 0.63 0.00 0.00 28.75 29.82 2dmx h GLU 50 CO -0.32 -0.24 -0.45 -0.22 -0.73 0.00 0.00 179.01 177.05 2dmx h LYS 51 N -0.37 -0.07 -0.83 1.92 1.63 -1.08 0.48 116.57 118.25 2dmx h LYS 51 Ca 0.11 0.00 0.17 0.00 -0.85 0.00 0.00 60.65 60.09 2dmx h LYS 51 Cb 0.60 0.02 -0.11 0.00 -0.60 0.00 0.00 32.23 32.14 2dmx h LYS 51 CO -0.57 -0.05 0.36 0.87 -3.45 0.00 0.00 179.45 176.62 2dmx h LYS 52 N -0.07 0.46 -0.85 1.90 1.79 -1.32 0.20 116.57 118.67 2dmx h LYS 52 Ca 0.25 -0.03 0.13 0.00 -2.18 0.00 0.00 60.65 58.82 2dmx h LYS 52 Cb 0.54 -0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 31.02 2dmx h LYS 52 CO -0.88 0.30 0.55 0.35 -1.08 0.00 0.00 179.45 178.69 2dmx h PHE 53 N 0.47 0.76 -0.11 -1.35 3.04 0.55 0.79 116.94 121.09 2dmx h PHE 53 Ca 0.48 0.02 -0.19 0.00 3.98 0.00 0.00 57.97 62.26 2dmx h PHE 53 Cb 0.79 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 39.06 2dmx h PHE 53 CO -0.14 0.30 -0.70 -0.22 -2.02 0.00 0.00 178.31 175.53 2dmx h LYS 54 N 0.66 0.50 -0.00 1.11 1.63 -0.16 -2.51 116.57 117.80 2dmx h LYS 54 Ca 0.42 -0.39 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2dmx h LYS 54 Cb 0.68 0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.39 2dmx h LYS 54 CO -0.18 1.02 -0.00 -0.07 -3.45 0.00 0.00 179.45 176.77 2dmx h LEU 55 N 0.35 0.01 -1.02 5.20 3.38 -0.37 -1.14 115.31 121.72 2dmx h LEU 55 Ca -0.03 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.55 2dmx h LEU 55 Cb 1.28 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.97 2dmx h LEU 55 CO 0.13 0.43 0.66 1.62 0.09 0.00 0.00 178.44 181.36 2dmx h VAL 56 N -0.41 1.19 -0.21 1.22 3.04 -0.99 0.23 116.25 120.32 2dmx h VAL 56 Ca 0.00 -0.44 -0.05 0.00 -1.01 0.00 0.00 66.70 65.20 2dmx h VAL 56 Cb 0.42 -0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 29.49 2dmx h VAL 56 CO 0.00 0.23 -0.07 0.28 -1.01 0.00 0.00 177.57 177.01 2dmx h SER 57 N 1.29 0.42 0.29 3.17 0.02 -1.42 -0.38 113.55 116.94 2dmx h SER 57 Ca 0.39 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2dmx h SER 57 Cb -0.04 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.39 2dmx h SER 57 CO -0.11 0.71 -0.14 -0.08 -1.14 0.00 0.00 176.83 176.06 2dmx h GLU 58 N 0.13 -0.38 -0.43 3.45 4.57 -0.83 -3.19 114.58 117.89 2dmx h GLU 58 Ca 0.05 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.30 2dmx h GLU 58 Cb 0.53 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.17 2dmx h GLU 58 CO 0.02 -0.10 0.19 0.00 -1.18 0.00 0.00 179.01 177.95 2dmx h ALA 59 N -0.04 0.53 -0.95 2.92 0.00 -0.62 -1.84 119.26 119.27 2dmx h ALA 59 Ca -0.04 0.03 0.28 0.00 0.00 0.00 0.00 54.91 55.18 2dmx h ALA 59 Cb 0.46 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.06 2dmx h ALA 59 CO 0.07 -0.18 0.15 -0.92 0.00 0.00 0.00 179.25 178.37 2dmx h TYR 60 N 0.39 0.18 -0.00 0.00 3.20 -1.05 0.72 116.97 120.40 2dmx h TYR 60 Ca 0.19 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 2dmx h TYR 60 Cb 0.14 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.49 2dmx h TYR 60 CO -0.12 -0.37 -0.10 0.93 -1.64 0.00 0.00 178.16 176.85 2dmx h GLU 61 N 0.06 0.08 -0.99 1.82 5.08 -1.41 -0.29 114.58 118.93 2dmx h GLU 61 Ca 0.61 -0.08 0.36 0.00 -1.00 0.00 0.00 59.36 59.25 2dmx h GLU 61 Cb 1.32 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 30.42 2dmx h GLU 61 CO -0.82 0.82 0.48 0.28 -1.00 0.00 0.00 179.01 178.77 2dmx h VAL 62 N -0.63 0.13 0.04 3.13 2.07 -0.10 0.19 116.25 121.08 2dmx h VAL 62 Ca -0.01 -0.04 -0.25 0.00 0.82 0.00 0.00 66.70 67.22 2dmx h VAL 62 Cb 0.85 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2dmx h VAL 62 CO 0.02 0.02 -1.34 -0.07 0.02 0.00 0.00 177.57 176.22 2dmx h LEU 63 N 0.13 0.14 -0.76 2.57 3.38 -1.31 0.41 115.31 119.87 2dmx h LEU 63 Ca 0.77 -0.68 0.17 0.00 0.09 0.00 0.00 57.88 58.23 2dmx h LEU 63 Cb 1.87 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 42.45 2dmx h LEU 63 CO -0.72 1.55 0.00 -1.28 0.09 0.00 0.00 178.44 178.08 2dmx h SER 64 N -0.69 -0.35 -4.27 -0.43 0.87 0.36 -3.40 113.55 105.64 2dmx h SER 64 Ca -0.33 0.20 -0.52 0.00 -1.23 0.00 0.00 61.79 59.90 2dmx h SER 64 Cb 1.50 0.35 0.15 0.00 -0.44 0.00 0.00 62.40 63.95 2dmx h SER 64 CO -0.10 -0.18 0.30 -1.81 -0.53 0.00 0.00 176.83 174.52 2dmx s ASP 65 N -5.19 4.06 -0.09 6.23 1.11 0.53 -4.98 116.67 118.33 2dmx s ASP 65 Ca -0.13 2.01 -0.07 0.00 0.18 0.00 0.00 52.55 54.54 2dmx s ASP 65 Cb 0.22 -2.55 -0.27 0.00 1.07 0.00 0.00 42.92 41.39 2dmx s ASP 65 CO 0.75 -2.34 0.47 0.28 1.18 0.00 0.00 175.17 175.52 2dmx h SER 66 N -1.12 0.46 -0.03 0.27 0.02 -1.89 -3.12 113.55 108.13 2dmx h SER 66 Ca -0.44 -0.91 -0.05 0.00 -0.84 0.00 0.00 61.79 59.54 2dmx h SER 66 Cb 1.25 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2dmx h SER 66 CO 0.48 1.80 -0.19 0.07 -1.14 0.00 0.00 176.83 177.86 2dmx h LYS 67 N 0.08 0.19 -0.08 3.45 2.10 -1.93 -1.79 116.57 118.59 2dmx h LYS 67 Ca -0.39 -0.16 -0.00 0.00 -2.00 0.00 0.00 60.65 58.10 2dmx h LYS 67 Cb 2.05 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 33.41 2dmx h LYS 67 CO 0.12 0.82 0.05 0.87 -2.00 0.00 0.00 179.45 179.30 2dmx h LYS 68 N -0.39 0.10 0.78 0.07 1.57 -1.77 -0.30 116.57 116.64 2dmx h LYS 68 Ca -0.01 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2dmx h LYS 68 Cb 0.86 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.16 2dmx h LYS 68 CO 0.04 0.12 -0.38 -0.09 -0.57 0.00 0.00 179.45 178.58 2dmx h ARG 69 N 0.06 -1.01 -0.35 3.15 2.43 -0.10 -1.75 114.38 116.81 2dmx h ARG 69 Ca 0.03 0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.34 2dmx h ARG 69 Cb 0.05 0.23 -0.08 0.00 -0.42 0.00 0.00 29.97 29.75 2dmx h ARG 69 CO -0.00 -0.67 -0.23 1.03 -1.51 0.00 0.00 179.97 178.59 2dmx h SER 70 N -1.11 -0.77 -0.19 -3.80 0.87 -1.32 -2.06 113.55 105.17 2dmx h SER 70 Ca -0.11 0.15 0.05 0.00 -1.23 0.00 0.00 61.79 60.66 2dmx h SER 70 Cb 0.82 0.39 -0.07 0.00 -0.44 0.00 0.00 62.40 63.09 2dmx h SER 70 CO 0.18 -0.26 -0.30 -0.07 -0.53 0.00 0.00 176.83 175.85 2dmx h LEU 71 N -0.19 -0.94 -0.92 2.23 3.38 -1.01 0.52 115.31 118.39 2dmx h LEU 71 Ca 0.17 0.15 0.27 0.00 0.09 0.00 0.00 57.88 58.56 2dmx h LEU 71 Cb 0.46 0.41 -0.15 0.00 0.09 0.00 0.00 40.66 41.47 2dmx h LEU 71 CO -0.46 -0.33 0.26 0.22 0.09 0.00 0.00 178.44 178.22 2dmx h TYR 72 N -0.34 0.38 -0.15 1.13 3.20 -0.61 0.21 116.97 120.80 2dmx h TYR 72 Ca 0.12 0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.93 2dmx h TYR 72 Cb 0.52 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.77 2dmx h TYR 72 CO -0.42 -0.27 -0.32 0.22 -1.64 0.00 0.00 178.16 175.73 2dmx h ASP 73 N 0.17 0.55 -0.85 -2.11 1.82 -0.87 -2.80 116.42 112.32 2dmx h ASP 73 Ca 0.60 -0.56 0.19 0.00 -0.39 0.00 0.00 57.03 56.87 2dmx h ASP 73 Cb 1.29 -0.16 -0.16 0.00 0.68 0.00 0.00 39.33 40.98 2dmx h ASP 73 CO -0.71 1.01 -0.12 0.03 -1.61 0.00 0.00 179.24 177.84 2dmx h ARG 74 N 0.11 0.03 0.45 0.28 3.08 0.16 -2.32 114.38 116.15 2dmx h ARG 74 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2dmx h ARG 74 Cb 0.92 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.97 2dmx h ARG 74 CO 0.07 0.02 -0.22 0.00 -1.07 0.00 0.00 179.97 178.77 2dmx h ALA 75 N 1.83 -0.69 0.00 0.04 0.00 -1.46 -3.47 119.26 115.51 2dmx h ALA 75 Ca 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2dmx h ALA 75 Cb 0.74 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2dmx h ALA 75 CO -0.83 -0.65 0.00 0.41 0.00 0.00 0.00 179.25 178.18 2dmx n GLY 76 N 0.03 0.56 3.72 0.00 0.00 -0.88 -4.68 105.19 103.95 2dmx n GLY 76 Ca -0.07 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 2dmx n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmx n ASP 78 N -2.70 -5.07 -4.66 0.00 -0.08 -1.26 -4.90 116.55 97.88 2dmx n ASP 78 Ca 0.02 -0.50 -0.42 0.00 -1.51 0.00 0.00 54.79 52.38 2dmx n ASP 78 Cb 0.54 -4.59 -0.03 0.00 2.34 0.00 0.00 41.12 39.38 2dmx n ASP 78 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2dmx s SER 79 N -3.50 6.54 0.15 1.67 1.04 -0.24 -4.89 113.70 114.47 2dmx s SER 79 Ca 0.41 2.42 -0.20 0.00 0.48 0.00 0.00 55.95 59.05 2dmx s SER 79 Cb -0.18 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.44 2dmx s SER 79 CO 0.65 -1.01 1.66 -0.25 0.98 0.00 0.00 173.24 175.28 2dmx h TRP 80 N 10.13 -0.37 -2.42 5.02 7.01 -1.90 -3.41 115.95 130.01 2dmx h TRP 80 Ca -0.44 0.03 -0.25 0.00 2.11 0.00 0.00 58.89 60.34 2dmx h TRP 80 Cb 1.21 0.20 -0.34 0.00 -2.10 0.00 0.00 29.16 28.13 2dmx h TRP 80 CO 0.92 -0.22 -0.57 -0.98 -2.79 0.00 0.00 178.44 174.80 2dmx s ARG 81 N -6.16 0.23 0.14 2.65 1.70 -1.26 -4.97 118.95 111.27 2dmx s ARG 81 Ca -0.14 0.39 0.02 0.00 -0.47 0.00 0.00 55.73 55.54 2dmx s ARG 81 Cb 0.12 -0.80 -0.04 0.00 -0.57 0.00 0.00 34.95 33.67 2dmx s ARG 81 CO 0.69 -0.58 0.26 0.00 -1.08 0.00 0.00 175.30 174.59 2dmx s ALA 82 N 2.40 3.94 0.00 7.88 0.00 -1.26 -5.02 121.76 129.70 2dmx s ALA 82 Ca 0.07 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2dmx s ALA 82 Cb -0.15 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.22 2dmx s ALA 82 CO -0.12 0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.62 2dmx n GLY 83 N -0.41 1.03 0.00 0.00 0.00 -1.26 -4.98 105.19 99.57 2dmx n GLY 83 Ca -0.07 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 1.27 2.78 7.00 -0.02 0.00 -1.26 -5.08 105.19 109.87 2dmx n GLY 84 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.97 3.44 -0.02 0.00 -1.26 -4.38 105.19 103.95 2dmx n GLY 85 Ca 0.00 0.69 -0.10 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.00 -1.41 0.11 4.61 0.00 -1.26 -5.07 121.76 117.74 2dmx s ALA 86 Ca 0.00 1.84 -0.26 0.00 0.00 0.00 0.00 51.96 53.55 2dmx s ALA 86 Cb 0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 23.12 21.95 2dmx s ALA 86 CO 0.00 -0.30 1.43 1.03 0.00 0.00 0.00 175.76 177.92 2dmx h SER 87 N 6.62 -1.54 -1.95 0.00 0.87 -2.03 -3.39 113.55 112.13 2dmx h SER 87 Ca -0.32 0.21 -0.63 0.00 -1.23 0.00 0.00 61.79 59.82 2dmx h SER 87 Cb 1.20 0.65 0.02 0.00 -0.44 0.00 0.00 62.40 63.82 2dmx h SER 87 CO 0.22 -0.28 1.11 0.61 -0.53 0.00 0.00 176.83 177.95 2dmx n GLY 88 N -1.27 1.37 3.77 5.77 0.00 -1.26 -4.93 105.19 108.64 2dmx n GLY 88 Ca -0.02 0.87 -0.36 0.00 0.00 0.00 0.00 46.02 46.51 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 4.19 3.61 0.13 1.61 0.04 -1.26 -4.93 135.00 138.39 2dmx s PRO 89 Ca 0.94 1.71 -0.23 0.00 0.04 0.00 0.00 61.00 63.46 2dmx s PRO 89 Cb -0.73 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 2dmx s PRO 89 CO 0.53 -0.66 1.20 0.45 0.04 0.00 0.00 177.00 178.55 2dmx n SER 90 N -0.79 -0.80 -4.74 6.66 2.88 -1.26 -4.13 113.62 111.45 2dmx n SER 90 Ca 0.09 1.38 -0.40 0.00 -1.33 0.00 0.00 58.87 58.61 2dmx n SER 90 Cb 0.49 -0.19 -0.05 0.00 -0.75 0.00 0.00 64.21 63.72 2dmx n SER 90 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dmx s SER 91 N -5.38 7.16 0.00 -3.46 0.01 -1.26 -5.29 113.70 105.48 2dmx s SER 91 Ca -0.09 1.39 0.00 0.00 1.31 0.00 0.00 55.95 58.56 2dmx s SER 91 Cb 0.09 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2dmx s SER 91 CO 0.49 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.72