#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmx s SER 2 N 0.00 3.85 0.15 1.61 0.15 -1.26 -5.02 113.70 113.18 2dmx s SER 2 Ca 0.00 -1.15 -0.19 0.00 0.70 0.00 0.00 55.95 55.31 2dmx s SER 2 Cb 0.00 -1.25 0.07 0.00 -1.71 0.00 0.00 66.02 63.13 2dmx s SER 2 CO 0.00 -0.21 1.21 -1.54 1.20 0.00 0.00 173.24 173.90 2dmx n SER 3 N 4.64 -0.67 0.00 5.45 3.41 -1.26 -4.74 113.62 120.46 2dmx n SER 3 Ca -0.13 1.38 0.00 0.00 -0.26 0.00 0.00 58.87 59.86 2dmx n SER 3 Cb 0.44 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2dmx n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmx n GLY 4 N -1.28 5.51 3.18 5.00 0.00 -1.26 -5.18 105.19 111.16 2dmx n GLY 4 Ca 0.05 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 2dmx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmx s SER 5 N 1.00 1.33 0.30 1.61 0.01 -1.26 -5.04 113.70 111.65 2dmx s SER 5 Ca 0.00 -0.93 0.05 0.00 1.31 0.00 0.00 55.95 56.37 2dmx s SER 5 Cb 0.00 0.05 0.79 0.00 0.21 0.00 0.00 66.02 67.07 2dmx s SER 5 CO 0.00 -0.37 1.64 0.77 0.41 0.00 0.00 173.24 175.69 2dmx h SER 6 N 3.17 0.05 0.00 2.44 4.64 -2.02 -3.44 113.55 118.38 2dmx h SER 6 Ca -0.36 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2dmx h SER 6 Cb 1.18 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 2dmx h SER 6 CO 0.60 -0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.99 2dmx n GLY 7 N -1.37 0.60 3.49 -0.77 0.00 -1.26 -5.16 105.19 100.72 2dmx n GLY 7 Ca 0.24 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 2.90 -0.17 1.61 1.00 -1.26 -5.10 119.30 118.28 2dmx s MET 8 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 55.69 55.03 2dmx s MET 8 Cb 0.00 -2.57 0.08 0.00 0.00 0.00 0.00 34.83 32.34 2dmx s MET 8 CO 0.00 0.51 0.22 0.00 0.00 0.00 0.00 175.02 175.75 2dmx s ALA 9 N -0.42 -0.30 -0.04 3.03 0.00 -1.26 -5.12 121.76 117.65 2dmx s ALA 9 Ca 0.05 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 2dmx s ALA 9 Cb -0.12 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 2dmx s ALA 9 CO 0.02 -0.97 1.52 -0.80 0.00 0.00 0.00 175.76 175.53 2dmx s ASN 10 N 2.34 6.75 0.14 0.00 0.01 -1.26 -4.92 114.94 118.00 2dmx s ASN 10 Ca 0.05 2.14 -0.29 0.00 -0.71 0.00 0.00 52.86 54.05 2dmx s ASN 10 Cb -0.14 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 2dmx s ASN 10 CO -0.10 -0.84 1.58 1.88 -1.51 0.00 0.00 177.10 178.11 2dmx h TYR 11 N 8.74 -1.26 -0.95 2.20 0.05 -1.99 0.56 116.97 124.31 2dmx h TYR 11 Ca -0.37 0.06 0.25 0.00 0.05 0.00 0.00 58.73 58.71 2dmx h TYR 11 Cb 1.17 0.59 -0.13 0.00 1.01 0.00 0.00 36.73 39.36 2dmx h TYR 11 CO 0.83 -0.47 0.49 1.88 -1.05 0.00 0.00 178.16 179.84 2dmx h TYR 12 N -0.44 0.82 0.42 4.88 0.05 -1.91 -1.30 116.97 119.49 2dmx h TYR 12 Ca 0.09 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 2dmx h TYR 12 Cb 0.61 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.15 2dmx h TYR 12 CO -0.55 -0.04 -0.20 0.93 -1.05 0.00 0.00 178.16 177.25 2dmx h GLU 13 N 0.44 -0.54 -0.87 4.88 4.39 -1.28 0.50 114.58 122.11 2dmx h GLU 13 Ca 0.62 0.04 0.19 0.00 0.34 0.00 0.00 59.36 60.55 2dmx h GLU 13 Cb 1.24 0.12 -0.16 0.00 -0.10 0.00 0.00 28.75 29.85 2dmx h GLU 13 CO -0.53 -0.23 -0.15 0.28 -1.16 0.00 0.00 179.01 177.23 2dmx h VAL 14 N -0.90 0.15 0.04 3.13 2.07 0.12 0.18 116.25 121.05 2dmx h VAL 14 Ca -0.06 -0.01 -0.23 0.00 0.82 0.00 0.00 66.70 67.22 2dmx h VAL 14 Cb 0.56 0.13 0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2dmx h VAL 14 CO 0.09 0.00 -0.94 -0.07 0.02 0.00 0.00 177.57 176.68 2dmx h LEU 15 N 0.02 0.75 -0.33 2.57 3.38 -1.36 -3.48 115.31 116.86 2dmx h LEU 15 Ca 0.44 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2dmx h LEU 15 Cb 0.74 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2dmx h LEU 15 CO -0.86 1.45 0.00 0.61 0.09 0.00 0.00 178.44 179.73 2dmx n GLY 16 N 1.21 0.68 3.42 0.83 0.00 0.16 -4.99 105.19 106.51 2dmx n GLY 16 Ca -0.12 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.73 1.49 0.44 1.61 -7.23 -0.47 -5.02 120.40 109.50 2dmx s VAL 17 Ca 0.00 -2.09 -0.10 0.00 -1.81 0.00 0.00 61.98 57.99 2dmx s VAL 17 Cb 0.00 -2.49 -0.06 0.00 0.56 0.00 0.00 36.38 34.39 2dmx s VAL 17 CO 0.00 -0.26 0.80 -1.10 -0.31 0.00 0.00 175.10 174.24 2dmx s GLN 18 N -3.77 3.72 0.27 4.82 1.11 -1.26 -4.63 119.66 119.92 2dmx s GLN 18 Ca 0.30 0.45 -0.02 0.00 0.01 0.00 0.00 55.36 56.11 2dmx s GLN 18 Cb 0.05 -2.35 0.42 0.00 -1.01 0.00 0.00 33.01 30.12 2dmx s GLN 18 CO 0.12 -0.13 1.90 0.00 0.01 0.00 0.00 175.29 177.19 2dmx h ALA 19 N 0.88 1.41 -0.60 6.09 0.00 -2.01 -0.93 119.26 124.10 2dmx h ALA 19 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2dmx h ALA 19 Cb 1.19 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2dmx h ALA 19 CO 0.63 0.46 0.00 0.43 0.00 0.00 0.00 179.25 180.77 2dmx n SER 20 N -4.48 5.37 -4.43 0.00 7.64 -1.26 -5.00 113.62 111.46 2dmx n SER 20 Ca 0.15 -2.75 -0.33 0.00 1.01 0.00 0.00 58.87 56.95 2dmx n SER 20 Cb 0.16 -0.65 0.13 0.00 -1.01 0.00 0.00 64.21 62.85 2dmx n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dmx n ALA 21 N 0.80 -2.58 -1.68 -0.43 0.00 -0.36 -4.95 120.51 111.32 2dmx n ALA 21 Ca 0.27 -0.65 -0.33 0.00 0.00 0.00 0.00 53.44 52.73 2dmx n ALA 21 Cb 1.08 -1.81 0.01 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.05 5.83 0.16 0.00 0.01 -1.26 -4.93 113.70 111.45 2dmx s SER 22 Ca 0.58 1.82 0.20 0.00 1.31 0.00 0.00 55.95 59.85 2dmx s SER 22 Cb -0.21 -2.53 0.84 0.00 0.21 0.00 0.00 66.02 64.32 2dmx s SER 22 CO 0.67 -1.14 1.61 -0.81 0.41 0.00 0.00 173.24 173.98 2dmx n PRO 23 N -1.97 0.12 -0.06 12.44 -0.04 -1.26 -2.79 135.00 141.44 2dmx n PRO 23 Ca 0.09 0.36 -0.15 0.00 -0.04 0.00 0.00 63.50 63.76 2dmx n PRO 23 Cb 0.53 -1.73 -0.14 0.00 -0.04 0.00 0.00 33.50 32.12 2dmx n PRO 23 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2dmx n GLU 24 N -1.95 0.69 -0.18 0.54 -0.00 -1.26 -4.03 120.64 114.45 2dmx n GLU 24 Ca 0.03 0.18 -0.01 0.00 -0.00 0.00 0.00 57.16 57.35 2dmx n GLU 24 Cb 0.20 -1.63 0.22 0.00 -0.00 0.00 0.00 31.44 30.23 2dmx n GLU 24 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2dmx h ASP 25 N 0.02 0.82 -0.63 -1.84 3.32 -1.91 -1.47 116.42 114.74 2dmx h ASP 25 Ca -0.47 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.42 2dmx h ASP 25 Cb 2.04 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 41.36 2dmx h ASP 25 CO 0.02 0.68 0.04 0.40 -1.72 0.00 0.00 179.24 178.66 2dmx h ILE 26 N 0.92 1.27 0.57 0.35 2.04 -1.73 -0.15 117.51 120.78 2dmx h ILE 26 Ca 0.23 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 2dmx h ILE 26 Cb 0.06 0.74 0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2dmx h ILE 26 CO -0.03 0.41 -0.27 0.11 0.00 0.00 0.00 178.15 178.36 2dmx h LYS 27 N 1.00 -0.73 -0.90 2.37 1.57 -1.58 -2.40 116.57 115.90 2dmx h LYS 27 Ca 0.18 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 59.10 2dmx h LYS 27 Cb 0.53 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.94 2dmx h LYS 27 CO 0.03 -0.44 0.58 1.57 -0.57 0.00 0.00 179.45 180.62 2dmx h LYS 28 N -1.10 0.90 -0.67 3.15 5.09 -1.33 -1.60 116.57 121.01 2dmx h LYS 28 Ca -0.08 -0.05 0.02 0.00 0.09 0.00 0.00 60.65 60.62 2dmx h LYS 28 Cb 0.64 -0.20 -0.04 0.00 0.10 0.00 0.00 32.23 32.73 2dmx h LYS 28 CO 0.13 0.60 0.44 0.00 -2.09 0.00 0.00 179.45 178.52 2dmx h ALA 29 N 1.54 0.86 0.87 0.07 0.00 -1.00 -2.70 119.26 118.91 2dmx h ALA 29 Ca 0.41 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 2dmx h ALA 29 Cb 0.35 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.89 2dmx h ALA 29 CO -0.17 0.24 -0.42 -0.92 0.00 0.00 0.00 179.25 177.99 2dmx h TYR 30 N 0.88 -1.09 -0.98 0.00 3.20 -0.77 0.28 116.97 118.50 2dmx h TYR 30 Ca 0.26 -0.03 0.20 0.00 3.14 0.00 0.00 58.73 62.30 2dmx h TYR 30 Cb -0.06 0.36 -0.19 0.00 1.54 0.00 0.00 36.73 38.38 2dmx h TYR 30 CO -0.03 -0.68 -0.22 0.00 -1.64 0.00 0.00 178.16 175.59 2dmx h ARG 31 N -1.24 0.00 0.01 1.82 3.08 -1.41 0.24 114.38 116.88 2dmx h ARG 31 Ca -0.12 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 2dmx h ARG 31 Cb 0.90 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2dmx h ARG 31 CO 0.20 0.00 -0.00 0.87 -1.07 0.00 0.00 179.97 179.96 2dmx h LYS 32 N 0.00 -0.01 -0.15 0.04 6.56 -1.39 -3.27 116.57 118.36 2dmx h LYS 32 Ca 0.48 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 60.11 2dmx h LYS 32 Cb 0.76 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.36 2dmx h LYS 32 CO -1.00 0.46 -0.54 -0.07 -2.06 0.00 0.00 179.45 176.24 2dmx h LEU 33 N -0.48 -1.71 -0.88 2.94 3.38 0.22 -0.70 115.31 118.07 2dmx h LEU 33 Ca -0.00 0.21 0.19 0.00 0.09 0.00 0.00 57.88 58.36 2dmx h LEU 33 Cb 0.47 0.67 -0.17 0.00 0.09 0.00 0.00 40.66 41.73 2dmx h LEU 33 CO 0.00 -0.48 -0.18 0.00 0.09 0.00 0.00 178.44 177.87 2dmx n ALA 34 N -3.01 0.25 -0.09 1.53 0.00 0.58 0.19 120.51 119.97 2dmx n ALA 34 Ca -0.06 0.97 -0.06 0.00 0.00 0.00 0.00 53.44 54.29 2dmx n ALA 34 Cb 0.38 -0.60 0.12 0.00 0.00 0.00 0.00 19.45 19.35 2dmx n ALA 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2dmx h LEU 35 N 0.00 0.75 0.30 0.00 6.46 -1.31 -1.47 115.31 120.05 2dmx h LEU 35 Ca 0.44 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 2dmx h LEU 35 Cb 0.72 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 2dmx h LEU 35 CO -0.90 0.92 -0.14 -0.09 -0.62 0.00 0.00 178.44 177.60 2dmx h ARG 36 N 0.68 -0.39 -0.31 1.25 2.43 0.35 -2.69 114.38 115.70 2dmx h ARG 36 Ca 0.11 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2dmx h ARG 36 Cb 0.64 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2dmx h ARG 36 CO 0.04 -0.10 0.00 0.91 -1.51 0.00 0.00 179.97 179.31 2dmx n TRP 37 N -5.16 0.00 -2.00 2.20 7.02 0.94 -4.86 117.44 115.58 2dmx n TRP 37 Ca -0.10 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 55.97 2dmx n TRP 37 Cb 0.25 -0.03 -0.01 0.00 -2.42 0.00 0.00 31.31 29.09 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 -1.69 2.89 0.12 -5.99 2.46 -0.56 -4.21 115.29 108.32 2dmx s HIS 38 Ca 0.00 1.28 -0.13 0.00 0.47 0.00 0.00 55.06 56.69 2dmx s HIS 38 Cb 0.00 -3.81 -0.06 0.00 -0.13 0.00 0.00 32.58 28.57 2dmx s HIS 38 CO 0.00 -2.34 1.45 -1.00 -2.47 0.00 0.00 174.74 170.38 2dmx h PRO 39 N 3.46 0.84 -0.63 2.88 0.13 -1.81 -2.88 132.00 133.98 2dmx h PRO 39 Ca -0.49 -0.45 -0.02 0.00 -0.87 0.00 0.00 66.00 64.17 2dmx h PRO 39 Cb 1.23 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2dmx h PRO 39 CO 0.67 1.09 0.33 0.22 -0.23 0.00 0.00 178.00 180.07 2dmx h ASP 40 N 0.63 0.79 1.19 1.44 1.82 -1.92 -1.34 116.42 119.04 2dmx h ASP 40 Ca 0.05 -0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 2dmx h ASP 40 Cb 0.94 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.74 2dmx h ASP 40 CO 0.09 0.65 -0.08 0.11 -1.61 0.00 0.00 179.24 178.40 2dmx h LYS 41 N 0.88 0.00 -4.40 0.28 1.79 -1.86 -3.39 116.57 109.88 2dmx h LYS 41 Ca 0.22 0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 57.98 2dmx h LYS 41 Cb 0.06 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 30.41 2dmx h LYS 41 CO -0.03 0.08 -0.46 -0.80 -1.08 0.00 0.00 179.45 177.16 2dmx s ASN 42 N -5.94 5.57 -0.02 0.86 0.01 -0.50 -4.96 114.94 109.95 2dmx s ASN 42 Ca 0.02 -1.77 -0.24 0.00 -0.71 0.00 0.00 52.86 50.15 2dmx s ASN 42 Cb 0.08 -1.96 -0.18 0.00 0.41 0.00 0.00 41.25 39.60 2dmx s ASN 42 CO 0.60 -0.60 1.16 1.55 -1.51 0.00 0.00 177.10 178.30 2dmx h PRO 43 N 8.35 -0.16 -0.53 -0.60 0.13 -1.77 -3.33 132.00 134.09 2dmx h PRO 43 Ca -0.20 0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.99 2dmx h PRO 43 Cb 1.07 0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.16 2dmx h PRO 43 CO 0.78 0.27 -0.42 -0.44 -0.23 0.00 0.00 178.00 177.96 2dmx h ASP 44 N -0.65 -1.49 -3.08 1.44 5.19 -1.93 -3.37 116.42 112.53 2dmx h ASP 44 Ca -0.02 0.21 -0.65 0.00 -0.62 0.00 0.00 57.03 55.95 2dmx h ASP 44 Cb 0.50 0.64 -0.35 0.00 0.18 0.00 0.00 39.33 40.30 2dmx h ASP 44 CO 0.03 -0.23 -0.85 0.54 -3.12 0.00 0.00 179.24 175.60 2dmx s ASN 45 N -4.65 3.03 -0.21 6.45 4.22 -1.25 -5.00 114.94 117.52 2dmx s ASN 45 Ca -0.10 -0.61 -0.14 0.00 -2.14 0.00 0.00 52.86 49.87 2dmx s ASN 45 Cb 0.07 -1.41 -0.18 0.00 1.28 0.00 0.00 41.25 41.01 2dmx s ASN 45 CO 0.45 -0.01 0.05 0.29 -2.04 0.00 0.00 177.10 175.85 2dmx n LYS 46 N 4.63 0.62 0.26 3.55 4.01 -1.25 -4.14 118.16 125.84 2dmx n LYS 46 Ca -0.20 0.39 -0.10 0.00 -0.51 0.00 0.00 58.31 57.89 2dmx n LYS 46 Cb 0.50 -1.65 -0.05 0.00 -0.51 0.00 0.00 35.03 33.32 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 -0.69 -0.66 -0.84 1.97 4.81 -1.92 -1.03 114.58 116.23 2dmx h GLU 47 Ca -0.48 0.04 0.19 0.00 -0.13 0.00 0.00 59.36 58.98 2dmx h GLU 47 Cb 1.59 0.15 -0.16 0.00 0.63 0.00 0.00 28.75 30.96 2dmx h GLU 47 CO -0.20 -0.44 -0.14 -1.91 -0.73 0.00 0.00 179.01 175.59 2dmx n GLU 48 N -4.35 -0.07 -0.10 1.92 2.13 -1.26 0.12 120.64 119.03 2dmx n GLU 48 Ca -0.08 1.29 -0.12 0.00 0.66 0.00 0.00 57.16 58.91 2dmx n GLU 48 Cb 0.27 -1.96 -0.04 0.00 0.27 0.00 0.00 31.44 29.98 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 1.67 0.38 -0.76 4.31 0.00 -1.71 -3.09 119.26 120.06 2dmx h ALA 49 Ca 0.43 -0.28 0.15 0.00 0.00 0.00 0.00 54.91 55.22 2dmx h ALA 49 Cb 0.74 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 2dmx h ALA 49 CO -0.84 0.20 0.27 1.49 0.00 0.00 0.00 179.25 180.38 2dmx h GLU 50 N 0.30 0.37 0.44 0.00 4.81 0.23 -1.89 114.58 118.84 2dmx h GLU 50 Ca 0.07 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2dmx h GLU 50 Cb 0.55 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2dmx h GLU 50 CO 0.03 0.25 -0.32 -0.22 -0.73 0.00 0.00 179.01 178.02 2dmx h LYS 51 N 0.38 -0.72 -1.03 1.92 3.11 -1.08 -2.35 116.57 116.81 2dmx h LYS 51 Ca 0.43 0.05 0.28 0.00 -2.81 0.00 0.00 60.65 58.60 2dmx h LYS 51 Cb 0.69 0.16 -0.13 0.00 -1.00 0.00 0.00 32.23 31.96 2dmx h LYS 51 CO -0.45 -0.48 0.61 0.87 -2.81 0.00 0.00 179.45 177.20 2dmx h LYS 52 N -0.75 0.43 -0.85 1.90 1.79 -1.29 0.21 116.57 118.02 2dmx h LYS 52 Ca -0.04 -0.03 0.19 0.00 -2.18 0.00 0.00 60.65 58.59 2dmx h LYS 52 Cb 0.63 -0.10 -0.11 0.00 -1.58 0.00 0.00 32.23 31.07 2dmx h LYS 52 CO 0.01 0.29 0.36 0.35 -1.08 0.00 0.00 179.45 179.38 2dmx h PHE 53 N 0.45 0.59 -0.40 -1.35 3.04 -0.85 0.57 116.94 118.98 2dmx h PHE 53 Ca 0.67 0.04 -0.07 0.00 3.98 0.00 0.00 57.97 62.59 2dmx h PHE 53 Cb 1.48 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.85 2dmx h PHE 53 CO -0.01 -0.01 -0.03 -0.22 -2.02 0.00 0.00 178.31 176.02 2dmx h LYS 54 N 0.42 0.74 -0.26 1.11 1.63 -0.61 -2.54 116.57 117.06 2dmx h LYS 54 Ca 0.51 -0.25 0.03 0.00 -0.85 0.00 0.00 60.65 60.09 2dmx h LYS 54 Cb 0.90 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.44 2dmx h LYS 54 CO -0.49 0.84 0.08 -0.07 -3.45 0.00 0.00 179.45 176.36 2dmx h LEU 55 N 0.56 0.07 -0.71 5.20 3.38 -0.82 0.23 115.31 123.22 2dmx h LEU 55 Ca 0.11 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.15 2dmx h LEU 55 Cb 0.53 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 2dmx h LEU 55 CO 0.03 0.07 0.44 0.58 0.09 0.00 0.00 178.44 179.65 2dmx h VAL 56 N 0.19 1.07 -0.21 1.22 2.07 -1.06 -0.33 116.25 119.20 2dmx h VAL 56 Ca 0.11 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 2dmx h VAL 56 Cb 0.09 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2dmx h VAL 56 CO -0.13 0.15 -0.06 0.77 0.02 0.00 0.00 177.57 178.33 2dmx h SER 57 N 0.84 0.41 0.66 0.57 4.64 -1.00 -1.37 113.55 118.31 2dmx h SER 57 Ca 0.29 -0.37 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 2dmx h SER 57 Cb 0.06 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 2dmx h SER 57 CO -0.13 0.69 -0.43 -0.08 -0.87 0.00 0.00 176.83 176.02 2dmx h GLU 58 N 0.13 -1.00 -0.58 4.77 4.81 -0.24 -2.83 114.58 119.64 2dmx h GLU 58 Ca 0.05 0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.43 2dmx h GLU 58 Cb 0.51 0.23 -0.06 0.00 0.63 0.00 0.00 28.75 30.06 2dmx h GLU 58 CO 0.02 -0.66 0.25 0.00 -0.73 0.00 0.00 179.01 177.88 2dmx h ALA 59 N -0.82 0.75 -1.06 2.92 0.00 -1.13 -1.09 119.26 118.84 2dmx h ALA 59 Ca -0.08 0.06 0.31 0.00 0.00 0.00 0.00 54.91 55.19 2dmx h ALA 59 Cb 0.84 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.51 2dmx h ALA 59 CO 0.07 -0.14 0.64 -0.92 0.00 0.00 0.00 179.25 178.90 2dmx h TYR 60 N 0.46 0.83 0.01 0.00 3.20 -1.05 -0.58 116.97 119.83 2dmx h TYR 60 Ca 0.28 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.16 2dmx h TYR 60 Cb 0.29 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2dmx h TYR 60 CO -0.14 -0.06 -0.11 0.93 -1.64 0.00 0.00 178.16 177.14 2dmx h GLU 61 N 0.37 0.02 -1.06 1.82 4.39 -1.01 -0.05 114.58 119.07 2dmx h GLU 61 Ca 0.69 -0.04 0.32 0.00 0.34 0.00 0.00 59.36 60.67 2dmx h GLU 61 Cb 1.65 0.01 -0.13 0.00 -0.10 0.00 0.00 28.75 30.18 2dmx h GLU 61 CO -0.47 1.02 0.64 0.28 -1.16 0.00 0.00 179.01 179.31 2dmx h VAL 62 N -0.96 0.35 0.06 3.13 2.07 -0.04 0.18 116.25 121.04 2dmx h VAL 62 Ca -0.02 -0.12 -0.31 0.00 0.82 0.00 0.00 66.70 67.07 2dmx h VAL 62 Cb 1.06 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2dmx h VAL 62 CO 0.00 0.06 -1.67 0.18 0.02 0.00 0.00 177.57 176.16 2dmx n LEU 63 N -4.89 2.23 -0.35 2.57 4.77 -0.36 -0.26 117.00 120.72 2dmx n LEU 63 Ca 0.31 0.31 0.16 0.00 -0.03 0.00 0.00 56.01 56.76 2dmx n LEU 63 Cb 1.00 -1.03 0.37 0.00 -2.33 0.00 0.00 43.42 41.43 2dmx n LEU 63 CO 0.15 0.56 1.18 -1.28 -1.33 0.00 0.00 177.39 176.67 2dmx h SER 64 N -0.50 0.71 -3.10 -1.43 0.87 -0.03 -3.41 113.55 106.65 2dmx h SER 64 Ca -0.40 0.12 -0.44 0.00 -1.23 0.00 0.00 61.79 59.84 2dmx h SER 64 Cb 1.66 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 63.84 2dmx h SER 64 CO -0.09 0.17 -0.13 0.47 -0.53 0.00 0.00 176.83 176.73 2dmx n ASP 65 N -4.83 -1.85 -0.06 6.23 9.92 0.55 -4.98 116.55 121.54 2dmx n ASP 65 Ca 0.25 -0.17 -0.15 0.00 -0.53 0.00 0.00 54.79 54.19 2dmx n ASP 65 Cb 0.68 -1.23 -0.14 0.00 -0.64 0.00 0.00 41.12 39.80 2dmx n ASP 65 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2dmx n SER 66 N -4.64 1.32 -0.09 -2.24 3.41 -1.26 -4.22 113.62 105.89 2dmx n SER 66 Ca 0.03 0.13 -0.12 0.00 -0.26 0.00 0.00 58.87 58.64 2dmx n SER 66 Cb 0.55 -0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 2dmx n SER 66 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2dmx n LYS 67 N -3.16 0.51 -0.35 4.33 2.85 -1.26 -4.10 118.16 116.98 2dmx n LYS 67 Ca -0.32 0.48 0.02 0.00 -1.05 0.00 0.00 58.31 57.44 2dmx n LYS 67 Cb 1.06 -1.66 0.08 0.00 -0.65 0.00 0.00 35.03 33.86 2dmx n LYS 67 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2dmx n LYS 68 N -4.51 -0.16 -0.31 -1.58 5.02 -1.26 0.14 118.16 115.50 2dmx n LYS 68 Ca -0.19 1.45 0.07 0.00 -2.02 0.00 0.00 58.31 57.62 2dmx n LYS 68 Cb 0.47 -2.16 0.23 0.00 -0.02 0.00 0.00 35.03 33.55 2dmx n LYS 68 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2dmx h ARG 69 N 0.00 0.70 0.17 1.97 2.43 -0.80 -0.81 114.38 118.04 2dmx h ARG 69 Ca 0.38 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 2dmx h ARG 69 Cb 0.61 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2dmx h ARG 69 CO -0.95 0.46 -0.08 1.03 -1.51 0.00 0.00 179.97 178.92 2dmx h SER 70 N 0.72 -0.19 -0.82 -3.80 0.87 0.11 -3.17 113.55 107.27 2dmx h SER 70 Ca 0.47 -0.28 0.17 0.00 -1.23 0.00 0.00 61.79 60.92 2dmx h SER 70 Cb 0.61 0.05 -0.11 0.00 -0.44 0.00 0.00 62.40 62.52 2dmx h SER 70 CO -0.33 0.20 0.33 -0.07 -0.53 0.00 0.00 176.83 176.43 2dmx h LEU 71 N -0.62 0.28 -0.57 2.23 4.07 -0.39 0.04 115.31 120.35 2dmx h LEU 71 Ca -0.02 0.13 0.11 0.00 0.08 0.00 0.00 57.88 58.18 2dmx h LEU 71 Cb 0.46 0.11 -0.09 0.00 1.08 0.00 0.00 40.66 42.22 2dmx h LEU 71 CO 0.04 0.06 0.06 0.22 -1.08 0.00 0.00 178.44 177.74 2dmx h TYR 72 N 0.43 0.08 -0.18 1.13 3.20 -1.14 -0.71 116.97 119.78 2dmx h TYR 72 Ca 0.47 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 62.31 2dmx h TYR 72 Cb 0.79 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.11 2dmx h TYR 72 CO -0.16 -0.08 -0.17 0.22 -1.64 0.00 0.00 178.16 176.33 2dmx h ASP 73 N 0.19 0.45 -0.44 -2.11 3.58 -1.06 -0.07 116.42 116.95 2dmx h ASP 73 Ca 0.30 -0.47 0.09 0.00 0.42 0.00 0.00 57.03 57.37 2dmx h ASP 73 Cb 0.45 -0.13 -0.09 0.00 1.72 0.00 0.00 39.33 41.28 2dmx h ASP 73 CO -0.43 0.83 -0.21 0.03 -2.88 0.00 0.00 179.24 176.58 2dmx h ARG 74 N 0.08 -0.12 -0.06 0.28 3.08 -0.30 -2.47 114.38 114.86 2dmx h ARG 74 Ca 0.03 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 2dmx h ARG 74 Cb 0.70 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2dmx h ARG 74 CO 0.04 -0.08 -0.16 0.00 -1.07 0.00 0.00 179.97 178.71 2dmx h ALA 75 N 1.18 0.10 0.00 0.04 0.00 -1.19 -3.47 119.26 115.92 2dmx h ALA 75 Ca 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2dmx h ALA 75 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2dmx h ALA 75 CO -0.52 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.16 2dmx n GLY 76 N 0.51 2.00 3.45 0.00 0.00 -0.04 -4.91 105.19 106.20 2dmx n GLY 76 Ca -0.08 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 2dmx n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmx s ASP 78 N 1.49 6.11 -0.06 0.00 1.11 -1.26 -4.97 116.67 119.08 2dmx s ASP 78 Ca 0.06 2.27 0.02 0.00 0.18 0.00 0.00 52.55 55.08 2dmx s ASP 78 Cb -0.15 -2.52 -0.03 0.00 1.07 0.00 0.00 42.92 41.29 2dmx s ASP 78 CO 0.03 -1.38 -0.12 -0.55 1.18 0.00 0.00 175.17 174.33 2dmx s SER 79 N 5.70 4.21 -0.20 0.27 0.15 -1.26 -5.07 113.70 117.49 2dmx s SER 79 Ca 0.90 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.40 2dmx s SER 79 Cb -0.37 -1.00 0.05 0.00 -1.71 0.00 0.00 66.02 62.99 2dmx s SER 79 CO 0.37 0.34 -0.06 0.26 1.20 0.00 0.00 173.24 175.35 2dmx s TRP 80 N -0.67 2.16 -0.10 3.44 0.52 -1.26 -5.11 118.94 117.92 2dmx s TRP 80 Ca 0.10 -1.49 0.01 0.00 0.02 0.00 0.00 56.10 54.74 2dmx s TRP 80 Cb -0.11 -1.50 0.02 0.00 -1.15 0.00 0.00 33.47 30.72 2dmx s TRP 80 CO 0.01 -0.72 -0.12 -0.98 0.02 0.00 0.00 176.95 175.16 2dmx s ARG 81 N 1.48 1.84 0.20 4.98 1.70 -1.26 -5.03 118.95 122.86 2dmx s ARG 81 Ca -0.03 -0.42 -0.10 0.00 -0.47 0.00 0.00 55.73 54.71 2dmx s ARG 81 Cb -0.17 -1.64 0.20 0.00 -0.57 0.00 0.00 34.95 32.77 2dmx s ARG 81 CO -0.07 -0.10 1.81 0.00 -1.08 0.00 0.00 175.30 175.86 2dmx h ALA 82 N 7.50 0.83 -3.00 7.88 0.00 -2.04 -3.43 119.26 127.00 2dmx h ALA 82 Ca -0.31 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2dmx h ALA 82 Cb 1.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2dmx h ALA 82 CO 0.46 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.16 2dmx n GLY 83 N -1.28 -1.85 7.00 0.00 0.00 -1.26 -4.52 105.19 103.28 2dmx n GLY 83 Ca 0.07 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 1.55 2.63 2.53 -0.02 0.00 -1.26 -3.79 105.19 106.82 2dmx n GLY 84 Ca 0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 2dmx n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmx n GLY 85 N 0.00 4.57 0.16 -0.02 0.00 -1.26 -4.92 105.19 103.73 2dmx n GLY 85 Ca 0.00 -2.39 -0.06 0.00 0.00 0.00 0.00 46.02 43.57 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 3.50 0.41 -2.40 4.61 0.00 -1.79 -3.45 119.26 120.15 2dmx h ALA 86 Ca 0.14 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 2dmx h ALA 86 Cb 0.70 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.40 2dmx h ALA 86 CO 0.71 -0.30 -0.62 -1.12 0.00 0.00 0.00 179.25 177.92 2dmx s SER 87 N -5.33 0.32 0.00 0.00 0.01 -1.26 -5.14 113.70 102.30 2dmx s SER 87 Ca -0.13 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.02 2dmx s SER 87 Cb 0.12 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.64 2dmx s SER 87 CO 0.71 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2dmx n GLY 88 N -0.05 -0.57 3.56 3.44 0.00 -1.26 -5.06 105.19 105.25 2dmx n GLY 88 Ca -0.08 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.64 2.56 -0.05 1.61 0.04 -1.26 -4.81 135.00 131.45 2dmx s PRO 89 Ca 0.00 -0.24 -0.23 0.00 0.04 0.00 0.00 61.00 60.57 2dmx s PRO 89 Cb 0.00 -5.02 -0.18 0.00 0.04 0.00 0.00 34.50 29.34 2dmx s PRO 89 CO 0.00 -3.34 1.00 0.77 0.04 0.00 0.00 177.00 175.46 2dmx h SER 90 N 11.50 -0.12 -1.05 6.66 0.02 -2.03 -3.46 113.55 125.07 2dmx h SER 90 Ca 0.08 -0.45 -0.48 0.00 -0.84 0.00 0.00 61.79 60.10 2dmx h SER 90 Cb 1.01 0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.60 2dmx h SER 90 CO 1.21 0.45 -0.20 -0.44 -1.14 0.00 0.00 176.83 176.71 2dmx s SER 91 N -5.59 5.22 0.00 3.07 0.01 -1.26 -5.31 113.70 109.85 2dmx s SER 91 Ca -0.14 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.37 2dmx s SER 91 Cb 0.01 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.15 2dmx s SER 91 CO 0.56 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.76