#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 4.75 -0.32 1.61 1.04 -1.26 -5.10 113.70 114.41 2dmx s SER 2 Ca 0.00 -0.37 -0.11 0.00 0.48 0.00 0.00 55.95 55.95 2dmx s SER 2 Cb 0.00 -1.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.09 2dmx s SER 2 CO 0.00 0.11 0.20 -0.55 0.98 0.00 0.00 173.24 173.98 2dmx s SER 3 N -2.76 5.85 0.00 7.02 0.15 -1.26 -4.91 113.70 117.79 2dmx s SER 3 Ca 0.26 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2dmx s SER 3 Cb -0.10 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 2dmx s SER 3 CO 0.18 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2dmx n GLY 4 N 5.05 1.16 0.13 9.45 0.00 -1.26 -5.08 105.19 114.64 2dmx n GLY 4 Ca -0.13 0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 1.99 -4.82 1.61 3.41 -1.26 -4.95 113.62 109.59 2dmx n SER 5 Ca 0.00 0.14 -0.34 0.00 -0.26 0.00 0.00 58.87 58.40 2dmx n SER 5 Cb 0.00 -0.69 -0.06 0.00 -0.26 0.00 0.00 64.21 63.20 2dmx n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dmx s SER 6 N -6.94 6.97 -0.88 4.04 0.15 -1.26 -5.02 113.70 110.76 2dmx s SER 6 Ca -0.33 1.48 -0.00 0.00 0.70 0.00 0.00 55.95 57.80 2dmx s SER 6 Cb 0.10 -2.45 0.25 0.00 -1.71 0.00 0.00 66.02 62.21 2dmx s SER 6 CO 0.60 -0.14 0.95 0.61 1.20 0.00 0.00 173.24 176.46 2dmx n GLY 7 N 0.06 4.56 3.16 9.45 0.00 -1.26 -4.99 105.19 116.17 2dmx n GLY 7 Ca 0.02 -2.66 -0.11 0.00 0.00 0.00 0.00 46.02 43.27 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 -2.02 0.29 -0.27 1.61 1.00 -1.26 -5.14 119.30 113.51 2dmx s MET 8 Ca 0.32 0.71 -0.06 0.00 0.00 0.00 0.00 55.69 56.66 2dmx s MET 8 Cb 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 34.83 34.82 2dmx s MET 8 CO -0.04 -0.18 0.04 0.00 0.00 0.00 0.00 175.02 174.84 2dmx s ALA 9 N 1.58 3.01 -0.29 3.03 0.00 -1.26 -5.06 121.76 122.78 2dmx s ALA 9 Ca -0.07 -1.33 -0.28 0.00 0.00 0.00 0.00 51.96 50.27 2dmx s ALA 9 Cb -0.10 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 2dmx s ALA 9 CO -0.11 -0.73 1.89 0.54 0.00 0.00 0.00 175.76 177.35 2dmx s ASN 10 N 1.51 5.83 0.18 0.00 2.20 -1.26 -4.88 114.94 118.52 2dmx s ASN 10 Ca 0.04 1.48 -0.19 0.00 -0.94 0.00 0.00 52.86 53.25 2dmx s ASN 10 Cb -0.16 -2.52 0.12 0.00 -2.00 0.00 0.00 41.25 36.69 2dmx s ASN 10 CO 0.01 -1.73 1.61 1.88 -2.94 0.00 0.00 177.10 175.93 2dmx h TYR 11 N 13.20 -0.69 -0.96 1.54 0.05 -1.97 0.67 116.97 128.80 2dmx h TYR 11 Ca -0.36 0.06 0.31 0.00 0.05 0.00 0.00 58.73 58.79 2dmx h TYR 11 Cb 1.18 0.38 -0.16 0.00 1.01 0.00 0.00 36.73 39.14 2dmx h TYR 11 CO 0.95 -0.34 0.37 1.88 -1.05 0.00 0.00 178.16 179.97 2dmx h TYR 12 N -0.15 0.56 0.26 4.88 0.05 -1.90 0.11 116.97 120.78 2dmx h TYR 12 Ca 0.22 0.05 -0.01 0.00 0.05 0.00 0.00 58.73 59.04 2dmx h TYR 12 Cb 0.50 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.16 2dmx h TYR 12 CO -0.53 -0.30 -0.12 0.93 -1.05 0.00 0.00 178.16 177.08 2dmx h GLU 13 N 0.16 -0.33 -0.81 4.88 4.39 -1.11 0.43 114.58 122.18 2dmx h GLU 13 Ca 0.68 0.02 0.15 0.00 0.34 0.00 0.00 59.36 60.56 2dmx h GLU 13 Cb 1.56 0.08 -0.15 0.00 -0.10 0.00 0.00 28.75 30.13 2dmx h GLU 13 CO -0.72 -0.05 -0.25 0.28 -1.16 0.00 0.00 179.01 177.11 2dmx h VAL 14 N -0.60 0.15 -0.01 3.13 2.07 -0.37 -0.16 116.25 120.46 2dmx h VAL 14 Ca -0.04 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.24 2dmx h VAL 14 Cb 0.44 0.15 0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2dmx h VAL 14 CO 0.06 0.00 -0.97 -0.07 0.02 0.00 0.00 177.57 176.61 2dmx h LEU 15 N -0.03 0.87 -0.12 2.57 3.38 -1.38 -3.48 115.31 117.12 2dmx h LEU 15 Ca 0.37 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2dmx h LEU 15 Cb 0.60 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2dmx h LEU 15 CO -0.84 1.49 0.00 0.61 0.09 0.00 0.00 178.44 179.79 2dmx n GLY 16 N 1.06 1.17 3.43 0.83 0.00 0.14 -4.92 105.19 106.90 2dmx n GLY 16 Ca -0.11 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.12 1.04 0.34 1.61 -7.23 -0.57 -5.02 120.40 108.46 2dmx s VAL 17 Ca 0.00 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 2dmx s VAL 17 Cb 0.00 -2.74 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 2dmx s VAL 17 CO 0.00 0.00 0.37 -1.10 -0.31 0.00 0.00 175.10 174.06 2dmx s GLN 18 N -3.91 2.91 0.29 4.82 -0.21 -1.26 -4.54 119.66 117.76 2dmx s GLN 18 Ca 0.36 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.58 2dmx s GLN 18 Cb 0.08 -2.63 0.43 0.00 1.00 0.00 0.00 33.01 31.88 2dmx s GLN 18 CO 0.15 0.08 1.80 0.00 -2.12 0.00 0.00 175.29 175.20 2dmx h ALA 19 N 1.08 1.20 -0.21 6.09 0.00 -2.02 -1.94 119.26 123.46 2dmx h ALA 19 Ca -0.45 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2dmx h ALA 19 Cb 1.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2dmx h ALA 19 CO 0.56 0.53 0.00 0.45 0.00 0.00 0.00 179.25 180.79 2dmx n SER 20 N -4.23 2.32 -4.78 0.00 2.88 -1.26 -4.91 113.62 103.64 2dmx n SER 20 Ca 0.02 -2.24 -0.30 0.00 -1.33 0.00 0.00 58.87 55.02 2dmx n SER 20 Cb 0.28 -0.47 0.11 0.00 -0.75 0.00 0.00 64.21 63.38 2dmx n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dmx s ALA 21 N -1.61 2.02 0.47 -1.46 0.00 -0.73 -5.04 121.76 115.41 2dmx s ALA 21 Ca 0.18 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.79 2dmx s ALA 21 Cb 0.13 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 20.06 2dmx s ALA 21 CO 0.07 -1.94 0.90 -1.12 0.00 0.00 0.00 175.76 173.66 2dmx s SER 22 N -3.81 6.55 0.17 0.00 0.01 -1.26 -4.96 113.70 110.41 2dmx s SER 22 Ca 0.62 1.37 0.20 0.00 1.31 0.00 0.00 55.95 59.45 2dmx s SER 22 Cb -0.15 -2.43 0.86 0.00 0.21 0.00 0.00 66.02 64.51 2dmx s SER 22 CO 0.55 -0.53 1.62 -0.81 0.41 0.00 0.00 173.24 174.48 2dmx n PRO 23 N -1.54 0.13 -0.05 12.44 -0.04 -1.26 -2.54 135.00 142.14 2dmx n PRO 23 Ca 0.05 0.37 -0.06 0.00 -0.04 0.00 0.00 63.50 63.81 2dmx n PRO 23 Cb 0.54 -1.75 -0.14 0.00 -0.04 0.00 0.00 33.50 32.11 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 -1.99 0.66 -0.07 0.54 -0.58 -1.26 -3.98 120.64 113.96 2dmx n GLU 24 Ca 0.02 0.11 -0.12 0.00 -0.42 0.00 0.00 57.16 56.76 2dmx n GLU 24 Cb 0.20 -1.65 -0.05 0.00 -0.57 0.00 0.00 31.44 29.37 2dmx n GLU 24 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2dmx h ASP 25 N 0.00 0.38 -0.78 1.62 3.32 -1.88 -1.36 116.42 117.72 2dmx h ASP 25 Ca -0.36 -0.35 0.01 0.00 0.02 0.00 0.00 57.03 56.35 2dmx h ASP 25 Cb 1.98 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 41.38 2dmx h ASP 25 CO 0.05 0.65 0.52 0.40 -1.72 0.00 0.00 179.24 179.13 2dmx h ILE 26 N 0.12 1.18 -0.15 0.35 2.04 -1.74 0.49 117.51 119.80 2dmx h ILE 26 Ca 0.05 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 2dmx h ILE 26 Cb 0.47 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2dmx h ILE 26 CO 0.02 0.19 0.02 0.50 0.00 0.00 0.00 178.15 178.87 2dmx h LYS 27 N 1.04 0.26 -0.33 2.37 3.64 -1.67 -1.23 116.57 120.65 2dmx h LYS 27 Ca 0.29 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2dmx h LYS 27 Cb -0.10 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2dmx h LYS 27 CO -0.07 0.46 0.21 0.87 -2.27 0.00 0.00 179.45 178.65 2dmx h LYS 28 N 0.03 0.44 -0.65 1.90 1.57 -0.98 -2.41 116.57 116.47 2dmx h LYS 28 Ca 0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2dmx h LYS 28 Cb 0.33 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 2dmx h LYS 28 CO 0.00 0.31 0.41 0.00 -0.57 0.00 0.00 179.45 179.61 2dmx h ALA 29 N 1.10 0.83 0.42 3.86 0.00 -0.86 -2.94 119.26 121.67 2dmx h ALA 29 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2dmx h ALA 29 Cb -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2dmx h ALA 29 CO -0.02 0.28 -0.43 -0.92 0.00 0.00 0.00 179.25 178.16 2dmx h TYR 30 N 0.89 -1.19 -0.60 0.00 3.20 -0.92 0.34 116.97 118.68 2dmx h TYR 30 Ca 0.24 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.17 2dmx h TYR 30 Cb -0.06 0.46 -0.08 0.00 1.54 0.00 0.00 36.73 38.59 2dmx h TYR 30 CO -0.02 -0.57 -0.43 0.00 -1.64 0.00 0.00 178.16 175.50 2dmx h ARG 31 N -0.85 -0.09 -0.64 1.82 3.08 -1.39 0.26 114.38 116.56 2dmx h ARG 31 Ca -0.05 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.07 2dmx h ARG 31 Cb 0.74 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.75 2dmx h ARG 31 CO -0.06 -0.06 0.32 0.87 -1.07 0.00 0.00 179.97 179.98 2dmx h LYS 32 N -0.10 0.57 0.26 0.04 1.79 -1.43 -2.81 116.57 114.89 2dmx h LYS 32 Ca 0.10 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2dmx h LYS 32 Cb 0.35 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 2dmx h LYS 32 CO -0.62 0.38 -0.49 -0.07 -1.08 0.00 0.00 179.45 177.57 2dmx h LEU 33 N 0.59 -1.42 -0.94 2.94 3.38 0.21 0.14 115.31 120.21 2dmx h LEU 33 Ca 0.30 0.14 0.18 0.00 0.09 0.00 0.00 57.88 58.58 2dmx h LEU 33 Cb 0.25 0.51 -0.17 0.00 0.09 0.00 0.00 40.66 41.34 2dmx h LEU 33 CO -0.22 -0.58 -0.27 0.00 0.09 0.00 0.00 178.44 177.46 2dmx n ALA 34 N -2.86 0.13 -0.11 1.53 0.00 0.66 0.99 120.51 120.85 2dmx n ALA 34 Ca -0.09 1.00 -0.11 0.00 0.00 0.00 0.00 53.44 54.24 2dmx n ALA 34 Cb 0.42 -0.56 0.02 0.00 0.00 0.00 0.00 19.45 19.34 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 0.91 0.24 0.00 6.46 -1.36 -2.58 115.31 118.98 2dmx h LEU 35 Ca 0.41 -0.38 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2dmx h LEU 35 Cb 0.65 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 2dmx h LEU 35 CO -0.95 1.14 -0.21 -0.09 -0.62 0.00 0.00 178.44 177.71 2dmx h ARG 36 N 0.74 -0.45 -0.41 1.25 2.43 0.34 -1.12 114.38 117.15 2dmx h ARG 36 Ca 0.08 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2dmx h ARG 36 Cb 0.87 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2dmx h ARG 36 CO 0.08 -0.30 0.00 0.91 -1.51 0.00 0.00 179.97 179.14 2dmx n TRP 37 N -5.34 0.02 -2.54 2.20 7.02 0.57 -4.83 117.44 114.54 2dmx n TRP 37 Ca -0.08 -0.01 -0.40 0.00 -1.02 0.00 0.00 57.50 55.99 2dmx n TRP 37 Cb 0.25 -0.04 -0.05 0.00 -2.42 0.00 0.00 31.31 29.05 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 -1.59 3.64 0.05 -5.99 2.46 -0.43 -3.42 115.29 110.01 2dmx s HIS 38 Ca 0.01 1.74 -0.19 0.00 0.47 0.00 0.00 55.06 57.09 2dmx s HIS 38 Cb 0.00 -3.21 -0.13 0.00 -0.13 0.00 0.00 32.58 29.12 2dmx s HIS 38 CO 0.00 -0.34 1.36 -1.00 -2.47 0.00 0.00 174.74 172.29 2dmx h PRO 39 N 3.77 0.44 -0.92 2.88 0.13 -1.85 -2.46 132.00 133.99 2dmx h PRO 39 Ca -0.46 -0.23 0.22 0.00 -0.87 0.00 0.00 66.00 64.66 2dmx h PRO 39 Cb 1.21 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 2dmx h PRO 39 CO 0.67 0.80 0.62 0.22 -0.23 0.00 0.00 178.00 180.07 2dmx h ASP 40 N 0.10 0.34 1.38 1.44 1.82 -1.93 0.45 116.42 120.02 2dmx h ASP 40 Ca 0.03 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.69 2dmx h ASP 40 Cb 0.72 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.70 2dmx h ASP 40 CO 0.04 0.12 -0.63 0.11 -1.61 0.00 0.00 179.24 177.28 2dmx h LYS 41 N 0.33 0.00 -4.45 0.28 1.79 -1.84 -3.42 116.57 109.27 2dmx h LYS 41 Ca 0.48 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 58.24 2dmx h LYS 41 Cb 1.32 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 31.65 2dmx h LYS 41 CO -0.16 0.07 -0.50 -0.80 -1.08 0.00 0.00 179.45 176.98 2dmx s ASN 42 N -5.80 5.45 -0.02 0.86 0.01 0.16 -4.97 114.94 110.63 2dmx s ASN 42 Ca 0.02 -1.80 -0.25 0.00 -0.71 0.00 0.00 52.86 50.12 2dmx s ASN 42 Cb 0.08 -1.91 -0.19 0.00 0.41 0.00 0.00 41.25 39.63 2dmx s ASN 42 CO 0.74 -0.56 1.20 1.55 -1.51 0.00 0.00 177.10 178.53 2dmx h PRO 43 N 8.25 -0.08 -0.65 -0.60 0.13 -1.83 -3.30 132.00 133.92 2dmx h PRO 43 Ca -0.18 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.01 2dmx h PRO 43 Cb 1.06 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.13 2dmx h PRO 43 CO 0.75 0.37 -0.40 0.22 -0.23 0.00 0.00 178.00 178.71 2dmx h ASP 44 N -0.58 -1.48 -3.29 1.44 1.82 -1.93 -3.37 116.42 109.04 2dmx h ASP 44 Ca -0.01 0.22 -0.52 0.00 -0.39 0.00 0.00 57.03 56.33 2dmx h ASP 44 Cb 0.50 0.65 -0.38 0.00 0.68 0.00 0.00 39.33 40.78 2dmx h ASP 44 CO 0.01 -0.17 -0.78 0.54 -1.61 0.00 0.00 179.24 177.23 2dmx s ASN 45 N -4.69 2.54 -0.07 2.28 4.22 -1.25 -5.03 114.94 112.94 2dmx s ASN 45 Ca -0.08 -0.54 -0.05 0.00 -2.14 0.00 0.00 52.86 50.04 2dmx s ASN 45 Cb 0.07 -0.77 -0.02 0.00 1.28 0.00 0.00 41.25 41.81 2dmx s ASN 45 CO 0.43 -0.20 -0.11 0.29 -2.04 0.00 0.00 177.10 175.47 2dmx n LYS 46 N 4.96 0.22 -0.36 3.55 4.01 -1.24 -3.88 118.16 125.41 2dmx n LYS 46 Ca -0.11 0.28 0.03 0.00 -0.51 0.00 0.00 58.31 58.00 2dmx n LYS 46 Cb 0.48 -1.09 0.09 0.00 -0.51 0.00 0.00 35.03 34.01 2dmx n LYS 46 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 2dmx n GLU 47 N -3.34 -0.15 -0.15 1.97 4.07 -1.26 0.68 120.64 122.46 2dmx n GLU 47 Ca -0.04 1.50 -0.03 0.00 -0.06 0.00 0.00 57.16 58.53 2dmx n GLU 47 Cb 0.16 -2.23 0.06 0.00 -0.06 0.00 0.00 31.44 29.37 2dmx n GLU 47 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2dmx h GLU 48 N 0.00 0.27 0.51 5.31 4.81 -1.98 -2.68 114.58 120.82 2dmx h GLU 48 Ca 0.41 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.61 2dmx h GLU 48 Cb 0.65 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2dmx h GLU 48 CO -0.98 0.18 -0.39 0.00 -0.73 0.00 0.00 179.01 177.09 2dmx h ALA 49 N 1.36 -0.92 -0.91 2.92 0.00 0.14 -3.06 119.26 118.78 2dmx h ALA 49 Ca 0.24 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.07 2dmx h ALA 49 Cb 0.30 0.52 -0.11 0.00 0.00 0.00 0.00 17.79 18.50 2dmx h ALA 49 CO -0.29 -1.05 -0.58 1.49 0.00 0.00 0.00 179.25 178.83 2dmx h GLU 50 N -0.88 -0.05 -0.95 0.00 4.57 -0.92 -0.46 114.58 115.89 2dmx h GLU 50 Ca -0.06 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.22 2dmx h GLU 50 Cb 0.75 0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 29.23 2dmx h GLU 50 CO 0.01 -0.03 -0.54 1.17 -1.18 0.00 0.00 179.01 178.43 2dmx n LYS 51 N -5.23 -0.40 -0.29 1.92 3.00 -1.04 0.79 118.16 116.92 2dmx n LYS 51 Ca 0.01 1.43 0.11 0.00 -0.00 0.00 0.00 58.31 59.86 2dmx n LYS 51 Cb 0.27 -2.10 0.27 0.00 0.00 0.00 0.00 35.03 33.46 2dmx n LYS 51 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2dmx h LYS 52 N 0.00 0.31 -0.90 1.64 1.79 -1.03 0.59 116.57 118.96 2dmx h LYS 52 Ca 0.16 -0.02 0.25 0.00 -2.18 0.00 0.00 60.65 58.87 2dmx h LYS 52 Cb 0.40 -0.07 -0.15 0.00 -1.58 0.00 0.00 32.23 30.83 2dmx h LYS 52 CO -0.89 0.21 0.18 0.35 -1.08 0.00 0.00 179.45 178.21 2dmx h PHE 53 N 0.32 0.24 0.00 -1.35 3.04 0.91 0.18 116.94 120.28 2dmx h PHE 53 Ca 0.52 0.06 -0.00 0.00 3.98 0.00 0.00 57.97 62.52 2dmx h PHE 53 Cb 0.98 0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.53 2dmx h PHE 53 CO -0.20 -0.29 -0.00 -0.22 -2.02 0.00 0.00 178.31 175.58 2dmx h LYS 54 N 0.13 -0.00 -0.31 1.11 3.64 -0.78 -2.68 116.57 117.68 2dmx h LYS 54 Ca 0.57 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 60.01 2dmx h LYS 54 Cb 1.18 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 2dmx h LYS 54 CO -0.73 0.11 -0.07 -0.07 -2.27 0.00 0.00 179.45 176.42 2dmx h LEU 55 N -0.11 -0.28 -0.92 5.20 3.38 -0.65 -1.16 115.31 120.77 2dmx h LEU 55 Ca -0.00 0.09 0.16 0.00 0.09 0.00 0.00 57.88 58.22 2dmx h LEU 55 Cb 0.11 0.19 -0.10 0.00 0.09 0.00 0.00 40.66 40.95 2dmx h LEU 55 CO 0.00 -0.10 0.51 0.58 0.09 0.00 0.00 178.44 179.52 2dmx h VAL 56 N 0.00 0.73 0.27 1.22 2.07 -0.99 -0.29 116.25 119.26 2dmx h VAL 56 Ca 0.15 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2dmx h VAL 56 Cb 0.23 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2dmx h VAL 56 CO -0.32 0.13 -0.13 0.28 0.02 0.00 0.00 177.57 177.55 2dmx h SER 57 N 0.70 -0.30 0.32 0.57 0.02 -0.92 -0.25 113.55 113.69 2dmx h SER 57 Ca 0.51 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2dmx h SER 57 Cb 0.73 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 2dmx h SER 57 CO -0.37 0.01 -0.50 -0.08 -1.14 0.00 0.00 176.83 174.75 2dmx h GLU 58 N -0.63 -0.83 -0.63 3.45 4.81 -0.61 -1.69 114.58 118.46 2dmx h GLU 58 Ca -0.04 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.34 2dmx h GLU 58 Cb 0.45 0.19 -0.07 0.00 0.63 0.00 0.00 28.75 29.94 2dmx h GLU 58 CO 0.06 -0.55 0.25 0.00 -0.73 0.00 0.00 179.01 178.04 2dmx h ALA 59 N -0.79 0.83 -0.98 2.92 0.00 -1.15 0.14 119.26 120.23 2dmx h ALA 59 Ca -0.04 0.08 0.19 0.00 0.00 0.00 0.00 54.91 55.14 2dmx h ALA 59 Cb 0.79 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.52 2dmx h ALA 59 CO -0.16 -0.16 0.61 -0.92 0.00 0.00 0.00 179.25 178.62 2dmx h TYR 60 N 0.45 0.93 0.04 0.00 3.20 -0.59 -2.05 116.97 118.96 2dmx h TYR 60 Ca 0.32 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.16 2dmx h TYR 60 Cb 0.38 -0.28 0.01 0.00 1.54 0.00 0.00 36.73 38.37 2dmx h TYR 60 CO -0.16 0.24 -0.24 0.93 -1.64 0.00 0.00 178.16 177.29 2dmx h GLU 61 N 0.69 0.09 -0.99 1.82 4.39 -0.23 -1.17 114.58 119.19 2dmx h GLU 61 Ca 0.54 -0.15 0.34 0.00 0.34 0.00 0.00 59.36 60.42 2dmx h GLU 61 Cb 0.93 0.06 -0.16 0.00 -0.10 0.00 0.00 28.75 29.47 2dmx h GLU 61 CO -0.31 1.07 0.48 0.28 -1.16 0.00 0.00 179.01 179.37 2dmx h VAL 62 N -0.81 0.18 0.05 3.13 2.07 -0.17 0.11 116.25 120.82 2dmx h VAL 62 Ca -0.04 -0.06 -0.26 0.00 0.82 0.00 0.00 66.70 67.15 2dmx h VAL 62 Cb 1.19 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2dmx h VAL 62 CO 0.05 0.03 -1.39 -0.07 0.02 0.00 0.00 177.57 176.21 2dmx h LEU 63 N 0.18 0.17 -1.02 2.57 3.38 -1.50 0.46 115.31 119.56 2dmx h LEU 63 Ca 0.74 -0.70 0.30 0.00 0.09 0.00 0.00 57.88 58.30 2dmx h LEU 63 Cb 1.76 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 42.31 2dmx h LEU 63 CO -0.69 1.58 0.59 -1.28 0.09 0.00 0.00 178.44 178.73 2dmx h SER 64 N -0.62 0.57 -4.34 -0.43 0.87 0.05 -3.41 113.55 106.24 2dmx h SER 64 Ca -0.34 0.17 -0.50 0.00 -1.23 0.00 0.00 61.79 59.89 2dmx h SER 64 Cb 1.55 0.10 0.09 0.00 -0.44 0.00 0.00 62.40 63.70 2dmx h SER 64 CO -0.08 -0.05 0.37 -0.62 -0.53 0.00 0.00 176.83 175.93 2dmx s ASP 65 N -5.00 5.30 -0.18 6.23 -1.08 0.25 -5.01 116.67 117.18 2dmx s ASP 65 Ca -0.10 1.47 -0.06 0.00 -0.52 0.00 0.00 52.55 53.34 2dmx s ASP 65 Cb 0.29 -2.33 -0.22 0.00 -1.46 0.00 0.00 42.92 39.20 2dmx s ASP 65 CO 0.79 -1.48 0.14 -1.54 0.52 0.00 0.00 175.17 173.61 2dmx n SER 66 N -3.14 2.06 -0.07 -0.34 3.41 -1.26 -3.03 113.62 111.25 2dmx n SER 66 Ca 0.07 0.13 -0.10 0.00 -0.26 0.00 0.00 58.87 58.71 2dmx n SER 66 Cb 0.55 -0.74 0.05 0.00 -0.26 0.00 0.00 64.21 63.80 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 -0.09 0.77 -0.02 4.33 5.09 -1.95 -1.60 116.57 123.11 2dmx h LYS 67 Ca -0.48 -0.38 -0.05 0.00 0.09 0.00 0.00 60.65 59.83 2dmx h LYS 67 Cb 1.92 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.25 2dmx h LYS 67 CO -0.01 1.01 -0.17 0.87 -2.09 0.00 0.00 179.45 179.05 2dmx h LYS 68 N 0.64 0.15 -0.60 0.07 1.57 -1.77 -2.16 116.57 114.47 2dmx h LYS 68 Ca 0.06 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2dmx h LYS 68 Cb 0.91 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 2dmx h LYS 68 CO 0.08 0.84 0.35 -0.09 -0.57 0.00 0.00 179.45 180.06 2dmx h ARG 69 N -0.49 0.66 -0.07 3.15 2.43 -0.81 0.81 114.38 120.06 2dmx h ARG 69 Ca -0.02 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2dmx h ARG 69 Cb 0.88 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2dmx h ARG 69 CO 0.04 0.44 0.01 0.77 -1.51 0.00 0.00 179.97 179.71 2dmx h SER 70 N 0.68 0.11 -0.43 -3.80 0.02 -1.37 -3.10 113.55 105.66 2dmx h SER 70 Ca 0.25 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2dmx h SER 70 Cb 0.07 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2dmx h SER 70 CO -0.12 0.34 0.23 -0.07 -1.14 0.00 0.00 176.83 176.07 2dmx h LEU 71 N -0.12 0.36 -0.57 5.07 3.38 -1.12 -2.77 115.31 119.55 2dmx h LEU 71 Ca 0.02 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.09 2dmx h LEU 71 Cb 0.27 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.86 2dmx h LEU 71 CO 0.00 0.26 -0.46 0.22 0.09 0.00 0.00 178.44 178.55 2dmx h TYR 72 N 0.47 -1.37 -0.20 1.13 3.20 -0.79 -0.76 116.97 118.65 2dmx h TYR 72 Ca 0.18 0.08 0.05 0.00 3.14 0.00 0.00 58.73 62.18 2dmx h TYR 72 Cb 0.05 0.68 -0.06 0.00 1.54 0.00 0.00 36.73 38.94 2dmx h TYR 72 CO -0.09 -0.43 -0.17 0.22 -1.64 0.00 0.00 178.16 176.06 2dmx h ASP 73 N -0.25 -0.53 -0.69 -2.11 3.58 -1.44 -2.37 116.42 112.61 2dmx h ASP 73 Ca 0.16 0.11 0.12 0.00 0.42 0.00 0.00 57.03 57.84 2dmx h ASP 73 Cb 0.56 0.27 -0.13 0.00 1.72 0.00 0.00 39.33 41.75 2dmx h ASP 73 CO -0.68 -0.21 -0.30 0.03 -2.88 0.00 0.00 179.24 175.20 2dmx h ARG 74 N -0.17 -0.09 -0.98 0.28 3.08 -0.90 0.15 114.38 115.74 2dmx h ARG 74 Ca 0.12 0.01 0.29 0.00 0.07 0.00 0.00 59.98 60.47 2dmx h ARG 74 Cb 0.36 0.02 -0.18 0.00 0.08 0.00 0.00 29.97 30.25 2dmx h ARG 74 CO -0.31 -0.06 0.14 0.00 -1.07 0.00 0.00 179.97 178.67 2dmx h ALA 75 N 1.26 1.36 0.00 0.04 0.00 -0.77 -3.46 119.26 117.69 2dmx h ALA 75 Ca 0.28 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2dmx h ALA 75 Cb 0.56 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2dmx h ALA 75 CO -0.74 -0.63 0.00 0.41 0.00 0.00 0.00 179.25 178.28 2dmx n GLY 76 N -1.44 -0.77 3.74 0.00 0.00 0.52 -5.03 105.19 102.20 2dmx n GLY 76 Ca 0.26 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.52 3.94 0.12 0.00 1.01 -1.26 -5.03 116.67 111.92 2dmx s ASP 78 Ca 0.51 -0.62 -0.33 0.00 0.71 0.00 0.00 52.55 52.82 2dmx s ASP 78 Cb -0.24 -0.56 -0.11 0.00 1.01 0.00 0.00 42.92 43.02 2dmx s ASP 78 CO 0.78 0.14 1.56 0.28 0.21 0.00 0.00 175.17 178.15 2dmx h SER 79 N 3.37 -1.60 -0.91 0.27 0.02 -1.94 -1.66 113.55 111.10 2dmx h SER 79 Ca -0.48 0.19 0.11 0.00 -0.84 0.00 0.00 61.79 60.76 2dmx h SER 79 Cb 1.19 0.63 -0.13 0.00 0.14 0.00 0.00 62.40 64.23 2dmx h SER 79 CO 0.49 -0.48 -0.51 -0.25 -1.14 0.00 0.00 176.83 174.94 2dmx h TRP 80 N -0.59 -1.58 0.07 3.45 7.01 -2.01 -1.00 115.95 121.31 2dmx h TRP 80 Ca 0.04 0.11 0.02 0.00 2.11 0.00 0.00 58.89 61.17 2dmx h TRP 80 Cb 0.68 0.81 -0.05 0.00 -2.10 0.00 0.00 29.16 28.50 2dmx h TRP 80 CO -0.54 -0.40 -0.51 0.00 -2.79 0.00 0.00 178.44 174.21 2dmx h ARG 81 N -0.06 -0.67 -6.73 2.65 2.47 -1.85 -3.41 114.38 106.78 2dmx h ARG 81 Ca 0.21 0.05 -0.54 0.00 -1.26 0.00 0.00 59.98 58.44 2dmx h ARG 81 Cb 0.50 0.15 0.08 0.00 -1.65 0.00 0.00 29.97 29.05 2dmx h ARG 81 CO -0.90 -0.45 0.90 0.00 0.56 0.00 0.00 179.97 180.08 2dmx n ALA 82 N -2.93 2.49 0.00 0.04 0.00 -0.38 -4.77 120.51 114.96 2dmx n ALA 82 Ca -0.08 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2dmx n ALA 82 Cb 0.40 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.39 2dmx n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dmx n GLY 83 N 2.73 -1.77 0.00 0.00 0.00 -1.26 -4.87 105.19 100.02 2dmx n GLY 83 Ca 0.11 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.38 0.51 0.00 -0.02 0.00 -1.26 -5.01 105.19 99.03 2dmx n GLY 84 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.68 0.20 -0.02 0.00 -1.26 -4.98 105.19 98.45 2dmx n GLY 85 Ca 0.00 0.24 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 0.79 -0.10 -3.02 4.61 0.00 -2.06 -3.42 119.26 116.05 2dmx h ALA 86 Ca 0.00 0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.40 2dmx h ALA 86 Cb 0.00 0.30 0.14 0.00 0.00 0.00 0.00 17.79 18.23 2dmx h ALA 86 CO 0.00 -0.61 0.54 -1.12 0.00 0.00 0.00 179.25 178.06 2dmx s SER 87 N -5.04 4.98 0.00 0.00 0.01 -1.26 -4.88 113.70 107.51 2dmx s SER 87 Ca -0.14 2.63 0.00 0.00 1.31 0.00 0.00 55.95 59.75 2dmx s SER 87 Cb 0.10 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2dmx s SER 87 CO 0.67 -1.75 0.00 0.61 0.41 0.00 0.00 173.24 173.18 2dmx n GLY 88 N 0.76 -1.10 3.59 3.44 0.00 -1.26 -4.92 105.19 105.70 2dmx n GLY 88 Ca 0.13 0.66 -0.30 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 0.96 -1.32 -0.13 1.61 0.04 -1.26 -5.06 135.00 129.84 2dmx s PRO 89 Ca 0.00 -0.11 0.02 0.00 0.04 0.00 0.00 61.00 60.96 2dmx s PRO 89 Cb 0.00 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.95 2dmx s PRO 89 CO 0.00 -3.77 -0.20 -1.54 0.04 0.00 0.00 177.00 171.53 2dmx s SER 90 N -3.93 3.37 0.16 6.66 1.04 -1.26 -5.03 113.70 114.71 2dmx s SER 90 Ca 0.71 -0.52 -0.24 0.00 0.48 0.00 0.00 55.95 56.38 2dmx s SER 90 Cb -0.09 -1.49 0.03 0.00 0.10 0.00 0.00 66.02 64.57 2dmx s SER 90 CO 0.56 0.12 1.60 0.28 0.98 0.00 0.00 173.24 176.78 2dmx h SER 91 N 7.05 -1.08 0.00 7.02 0.02 -2.07 -3.55 113.55 120.94 2dmx h SER 91 Ca -0.27 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2dmx h SER 91 Cb 1.21 0.49 0.00 0.00 0.14 0.00 0.00 62.40 64.24 2dmx h SER 91 CO 0.53 -0.33 0.00 0.61 -1.14 0.00 0.00 176.83 176.50