#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 4.25 0.14 1.61 0.15 -1.26 -5.05 113.70 113.54 2dmx s SER 2 Ca 0.00 -0.94 -0.27 0.00 0.70 0.00 0.00 55.95 55.45 2dmx s SER 2 Cb 0.00 -0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 63.71 2dmx s SER 2 CO 0.00 -0.21 1.60 0.28 1.20 0.00 0.00 173.24 176.11 2dmx h SER 3 N 1.80 -1.13 0.00 5.45 0.02 -2.11 -3.44 113.55 114.15 2dmx h SER 3 Ca -0.43 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2dmx h SER 3 Cb 1.25 0.47 0.00 0.00 0.14 0.00 0.00 62.40 64.26 2dmx h SER 3 CO 0.66 -0.39 0.00 0.61 -1.14 0.00 0.00 176.83 176.57 2dmx n GLY 4 N -1.42 0.00 3.86 -3.77 0.00 -1.26 -5.16 105.19 97.44 2dmx n GLY 4 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 6.61 -0.08 1.61 0.01 -1.26 -5.08 113.70 115.51 2dmx s SER 5 Ca 0.00 1.26 0.01 0.00 1.31 0.00 0.00 55.95 58.53 2dmx s SER 5 Cb 0.00 -2.37 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 2dmx s SER 5 CO 0.00 -0.38 -0.10 -0.44 0.41 0.00 0.00 173.24 172.73 2dmx s SER 6 N -2.90 4.39 0.00 2.44 0.01 -1.26 -5.03 113.70 111.35 2dmx s SER 6 Ca 0.54 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2dmx s SER 6 Cb -0.10 -1.20 0.00 0.00 0.21 0.00 0.00 66.02 64.93 2dmx s SER 6 CO 0.27 0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.84 2dmx n GLY 7 N 2.56 -0.67 3.22 3.44 0.00 -1.26 -5.13 105.19 107.35 2dmx n GLY 7 Ca -0.18 0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.32 2.91 0.61 1.61 -2.45 -1.26 -4.98 119.30 115.41 2dmx s MET 8 Ca 0.00 -0.87 -0.18 0.00 -1.25 0.00 0.00 55.69 53.39 2dmx s MET 8 Cb 0.00 -2.24 -0.05 0.00 1.25 0.00 0.00 34.83 33.79 2dmx s MET 8 CO 0.00 0.21 0.91 0.00 1.05 0.00 0.00 175.02 177.19 2dmx n ALA 9 N 3.42 -0.01 -2.54 4.11 0.00 -1.26 -4.95 120.51 119.29 2dmx n ALA 9 Ca -0.19 -0.02 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 2dmx n ALA 9 Cb 0.53 -2.08 -0.09 0.00 0.00 0.00 0.00 19.45 17.81 2dmx n ALA 9 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2dmx s ASN 10 N -1.28 6.15 0.19 0.00 0.01 -1.26 -4.97 114.94 113.78 2dmx s ASN 10 Ca 0.76 -0.88 -0.22 0.00 -0.71 0.00 0.00 52.86 51.81 2dmx s ASN 10 Cb -0.41 -2.19 0.10 0.00 0.41 0.00 0.00 41.25 39.16 2dmx s ASN 10 CO 0.47 -0.55 1.44 -1.22 -1.51 0.00 0.00 177.10 175.73 2dmx n TYR 11 N 5.38 -0.16 -0.24 2.20 4.01 -1.26 0.73 117.16 127.82 2dmx n TYR 11 Ca -0.10 1.15 0.05 0.00 -0.16 0.00 0.00 57.90 58.85 2dmx n TYR 11 Cb 0.47 -0.73 0.17 0.00 -0.31 0.00 0.00 39.34 38.94 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 0.21 0.05 -0.72 0.05 -1.93 -1.46 116.97 113.16 2dmx h TYR 12 Ca 0.25 0.04 -0.00 0.00 0.05 0.00 0.00 58.73 59.07 2dmx h TYR 12 Cb 0.48 0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.24 2dmx h TYR 12 CO -0.88 -0.11 -0.02 0.93 -1.05 0.00 0.00 178.16 177.03 2dmx h GLU 13 N 0.23 -0.06 -0.87 4.88 5.08 0.09 0.03 114.58 123.96 2dmx h GLU 13 Ca 0.40 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.95 2dmx h GLU 13 Cb 0.69 0.01 -0.16 0.00 0.50 0.00 0.00 28.75 29.79 2dmx h GLU 13 CO -0.53 0.23 -0.16 0.28 -1.00 0.00 0.00 179.01 177.83 2dmx h VAL 14 N -0.34 0.14 -0.06 3.13 2.07 0.43 0.41 116.25 122.03 2dmx h VAL 14 Ca -0.01 -0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.34 2dmx h VAL 14 Cb 0.31 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2dmx h VAL 14 CO 0.01 0.00 -0.64 -0.07 0.02 0.00 0.00 177.57 176.89 2dmx h LEU 15 N 0.01 0.66 0.00 2.57 3.38 -1.36 -3.48 115.31 117.10 2dmx h LEU 15 Ca 0.44 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2dmx h LEU 15 Cb 0.72 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2dmx h LEU 15 CO -0.87 1.26 0.00 0.61 0.09 0.00 0.00 178.44 179.53 2dmx n GLY 16 N 0.89 1.17 3.33 0.83 0.00 0.13 -4.93 105.19 106.62 2dmx n GLY 16 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 0.89 0.55 1.61 -7.23 -0.78 -5.03 120.40 108.41 2dmx s VAL 17 Ca 0.00 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.14 2dmx s VAL 17 Cb 0.00 -2.45 0.02 0.00 0.56 0.00 0.00 36.38 34.51 2dmx s VAL 17 CO 0.00 -0.22 0.80 -1.10 -0.31 0.00 0.00 175.10 174.27 2dmx s GLN 18 N -3.92 2.69 0.27 4.82 -0.21 -1.26 -4.45 119.66 117.59 2dmx s GLN 18 Ca 0.31 -0.52 -0.02 0.00 0.02 0.00 0.00 55.36 55.16 2dmx s GLN 18 Cb 0.07 -2.43 0.35 0.00 1.00 0.00 0.00 33.01 32.00 2dmx s GLN 18 CO 0.10 -0.66 1.79 0.00 -2.12 0.00 0.00 175.29 174.40 2dmx h ALA 19 N 0.03 1.14 -0.20 6.09 0.00 -2.02 -1.94 119.26 122.37 2dmx h ALA 19 Ca -0.44 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2dmx h ALA 19 Cb 1.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2dmx h ALA 19 CO 0.56 0.56 0.00 0.43 0.00 0.00 0.00 179.25 180.80 2dmx n SER 20 N -4.24 2.21 -4.62 0.00 7.64 -1.26 -4.92 113.62 108.43 2dmx n SER 20 Ca 0.03 -2.23 -0.29 0.00 1.01 0.00 0.00 58.87 57.39 2dmx n SER 20 Cb 0.27 -0.46 0.19 0.00 -1.01 0.00 0.00 64.21 63.19 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 -1.59 0.78 0.45 -0.43 0.00 -0.73 -5.02 121.76 115.21 2dmx s ALA 21 Ca 0.17 0.07 -0.07 0.00 0.00 0.00 0.00 51.96 52.13 2dmx s ALA 21 Cb 0.12 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2dmx s ALA 21 CO 0.06 -3.01 0.77 -1.12 0.00 0.00 0.00 175.76 172.46 2dmx s SER 22 N -2.91 6.36 0.10 0.00 0.01 -1.26 -4.97 113.70 111.04 2dmx s SER 22 Ca 0.66 1.00 0.18 0.00 1.31 0.00 0.00 55.95 59.10 2dmx s SER 22 Cb -0.22 -2.27 0.75 0.00 0.21 0.00 0.00 66.02 64.50 2dmx s SER 22 CO 0.60 -0.51 1.56 -0.81 0.41 0.00 0.00 173.24 174.49 2dmx n PRO 23 N -1.89 0.08 -0.06 12.44 -0.04 -1.26 -2.75 135.00 141.53 2dmx n PRO 23 Ca 0.01 0.32 -0.15 0.00 -0.04 0.00 0.00 63.50 63.64 2dmx n PRO 23 Cb 0.55 -1.65 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.79 0.69 -0.04 0.54 4.07 -1.26 -3.98 120.64 118.86 2dmx n GLU 24 Ca 0.03 0.19 -0.10 0.00 -0.06 0.00 0.00 57.16 57.21 2dmx n GLU 24 Cb 0.19 -1.64 -0.04 0.00 -0.06 0.00 0.00 31.44 29.89 2dmx n GLU 24 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 2dmx h ASP 25 N 0.02 0.23 -0.51 4.31 5.19 -1.91 0.49 116.42 124.23 2dmx h ASP 25 Ca -0.46 -0.03 0.01 0.00 -0.62 0.00 0.00 57.03 55.94 2dmx h ASP 25 Cb 2.04 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 41.47 2dmx h ASP 25 CO 0.03 0.19 0.34 0.40 -3.12 0.00 0.00 179.24 177.08 2dmx h ILE 26 N 0.25 1.11 0.30 0.35 2.04 -1.75 0.56 117.51 120.37 2dmx h ILE 26 Ca 0.07 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2dmx h ILE 26 Cb -0.00 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2dmx h ILE 26 CO -0.01 0.12 -0.14 0.50 0.00 0.00 0.00 178.15 178.61 2dmx h LYS 27 N 0.66 -0.39 -0.17 2.37 3.64 -1.56 -2.33 116.57 118.80 2dmx h LYS 27 Ca 0.19 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2dmx h LYS 27 Cb -0.03 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2dmx h LYS 27 CO -0.05 -0.12 0.01 1.57 -2.27 0.00 0.00 179.45 178.60 2dmx h LYS 28 N -1.02 0.24 -0.33 1.90 2.10 -0.80 -2.49 116.57 116.16 2dmx h LYS 28 Ca -0.04 -0.03 -0.06 0.00 -2.00 0.00 0.00 60.65 58.52 2dmx h LYS 28 Cb 0.45 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.72 2dmx h LYS 28 CO 0.07 0.25 -0.03 0.00 -2.00 0.00 0.00 179.45 177.74 2dmx h ALA 29 N 1.79 0.45 0.67 0.07 0.00 0.07 -3.21 119.26 119.09 2dmx h ALA 29 Ca 0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2dmx h ALA 29 Cb 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2dmx h ALA 29 CO 0.00 0.24 -0.37 -0.92 0.00 0.00 0.00 179.25 178.20 2dmx h TYR 30 N 0.40 -0.98 -0.61 0.00 3.20 -0.97 -1.37 116.97 116.64 2dmx h TYR 30 Ca 0.09 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.00 2dmx h TYR 30 Cb 0.50 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 39.03 2dmx h TYR 30 CO 0.04 -0.57 -0.36 0.54 -1.64 0.00 0.00 178.16 176.17 2dmx n ARG 31 N -4.74 -0.27 -0.19 1.82 1.74 -1.06 0.14 116.66 114.09 2dmx n ARG 31 Ca -0.12 0.98 -0.04 0.00 -0.77 0.00 0.00 57.85 57.90 2dmx n ARG 31 Cb 0.39 -1.44 0.06 0.00 -1.02 0.00 0.00 32.46 30.45 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 0.62 -0.05 5.56 1.79 -1.55 -2.74 116.57 120.19 2dmx h LYS 32 Ca 0.10 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.56 2dmx h LYS 32 Cb 0.25 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.72 2dmx h LYS 32 CO -0.57 0.41 -0.18 -0.07 -1.08 0.00 0.00 179.45 177.96 2dmx h LEU 33 N 0.64 -0.55 -0.89 2.94 3.38 0.24 -1.98 115.31 119.09 2dmx h LEU 33 Ca 0.24 0.09 0.21 0.00 0.09 0.00 0.00 57.88 58.51 2dmx h LEU 33 Cb 0.08 0.24 -0.16 0.00 0.09 0.00 0.00 40.66 40.91 2dmx h LEU 33 CO -0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 178.44 178.13 2dmx h ALA 34 N 0.69 0.91 -0.48 1.53 0.00 -0.12 0.71 119.26 122.50 2dmx h ALA 34 Ca 0.07 0.31 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 2dmx h ALA 34 Cb 0.37 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2dmx h ALA 34 CO -0.21 -0.47 -0.02 1.25 0.00 0.00 0.00 179.25 179.80 2dmx h LEU 35 N 0.05 0.78 0.04 0.00 6.46 -1.34 -1.29 115.31 120.01 2dmx h LEU 35 Ca 0.50 -0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 58.05 2dmx h LEU 35 Cb 0.92 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 2dmx h LEU 35 CO -0.83 0.86 -0.02 -0.09 -0.62 0.00 0.00 178.44 177.74 2dmx h ARG 36 N 0.75 -0.05 -0.57 1.25 2.43 0.11 -2.08 114.38 116.21 2dmx h ARG 36 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2dmx h ARG 36 Cb 0.49 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2dmx h ARG 36 CO 0.02 0.01 0.00 0.91 -1.51 0.00 0.00 179.97 179.41 2dmx n TRP 37 N -5.09 0.55 -2.09 2.20 7.02 -0.21 -4.88 117.44 114.93 2dmx n TRP 37 Ca -0.08 -0.22 -0.41 0.00 -1.02 0.00 0.00 57.50 55.78 2dmx n TRP 37 Cb 0.07 -0.13 -0.02 0.00 -2.42 0.00 0.00 31.31 28.81 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 -1.64 3.08 0.14 -5.99 2.46 -0.49 -3.89 115.29 108.96 2dmx s HIS 38 Ca 0.18 1.20 -0.11 0.00 0.47 0.00 0.00 55.06 56.81 2dmx s HIS 38 Cb 0.12 -3.72 -0.04 0.00 -0.13 0.00 0.00 32.58 28.81 2dmx s HIS 38 CO 0.09 -2.21 1.48 -1.00 -2.47 0.00 0.00 174.74 170.62 2dmx h PRO 39 N 4.54 0.94 -0.33 2.88 0.13 -1.84 -2.70 132.00 135.63 2dmx h PRO 39 Ca -0.47 -0.50 -0.08 0.00 -0.87 0.00 0.00 66.00 64.09 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 0.73 1.16 -0.13 0.22 -0.23 0.00 0.00 178.00 179.75 2dmx h ASP 40 N 0.77 0.56 1.32 1.44 1.82 -1.92 -2.29 116.42 118.12 2dmx h ASP 40 Ca 0.06 -0.15 -0.02 0.00 -0.39 0.00 0.00 57.03 56.53 2dmx h ASP 40 Cb 0.99 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.84 2dmx h ASP 40 CO 0.10 0.71 -0.07 0.11 -1.61 0.00 0.00 179.24 178.48 2dmx h LYS 41 N 0.53 0.00 -4.41 0.28 1.79 -1.85 -3.39 116.57 109.51 2dmx h LYS 41 Ca 0.09 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 57.85 2dmx h LYS 41 Cb 0.53 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 30.88 2dmx h LYS 41 CO 0.03 0.07 -0.46 -0.80 -1.08 0.00 0.00 179.45 177.21 2dmx s ASN 42 N -5.99 5.55 -0.02 0.86 0.01 -0.86 -4.96 114.94 109.52 2dmx s ASN 42 Ca 0.03 -1.78 -0.25 0.00 -0.71 0.00 0.00 52.86 50.14 2dmx s ASN 42 Cb 0.08 -1.95 -0.20 0.00 0.41 0.00 0.00 41.25 39.59 2dmx s ASN 42 CO 0.61 -0.59 1.23 1.55 -1.51 0.00 0.00 177.10 178.39 2dmx h PRO 43 N 8.33 -0.06 0.25 -0.60 0.13 -1.78 -3.24 132.00 135.03 2dmx h PRO 43 Ca -0.20 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.94 2dmx h PRO 43 Cb 1.07 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 2dmx h PRO 43 CO 0.78 0.41 -0.40 -0.44 -0.23 0.00 0.00 178.00 178.11 2dmx h ASP 44 N -0.55 -1.15 -3.72 1.44 3.32 -1.93 -3.37 116.42 110.46 2dmx h ASP 44 Ca -0.01 0.11 -0.68 0.00 0.02 0.00 0.00 57.03 56.48 2dmx h ASP 44 Cb 0.49 0.41 -0.36 0.00 0.22 0.00 0.00 39.33 40.09 2dmx h ASP 44 CO 0.01 -0.51 -0.70 0.54 -1.72 0.00 0.00 179.24 176.86 2dmx s ASN 45 N -4.63 4.82 -0.23 6.45 4.22 -1.25 -4.96 114.94 119.36 2dmx s ASN 45 Ca -0.17 -1.70 -0.18 0.00 -2.14 0.00 0.00 52.86 48.67 2dmx s ASN 45 Cb 0.07 -1.67 -0.16 0.00 1.28 0.00 0.00 41.25 40.77 2dmx s ASN 45 CO 0.63 -0.33 -0.00 0.29 -2.04 0.00 0.00 177.10 175.64 2dmx n LYS 46 N 4.46 0.57 0.41 3.55 5.02 -1.22 -4.06 118.16 126.89 2dmx n LYS 46 Ca -0.06 0.47 -0.17 0.00 -2.02 0.00 0.00 58.31 56.52 2dmx n LYS 46 Cb 0.42 -1.66 -0.08 0.00 -0.02 0.00 0.00 35.03 33.69 2dmx n LYS 46 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2dmx h GLU 47 N -1.00 -1.03 -0.98 1.97 4.57 -1.90 -0.90 114.58 115.30 2dmx h GLU 47 Ca -0.44 0.07 0.16 0.00 -1.18 0.00 0.00 59.36 57.97 2dmx h GLU 47 Cb 1.35 0.23 -0.16 0.00 -0.16 0.00 0.00 28.75 30.02 2dmx h GLU 47 CO -0.26 -0.68 -0.38 1.49 -1.18 0.00 0.00 179.01 178.00 2dmx h GLU 48 N -1.25 -0.01 -0.49 1.92 4.81 -1.98 0.41 114.58 118.00 2dmx h GLU 48 Ca -0.11 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 2dmx h GLU 48 Cb 0.83 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 2dmx h GLU 48 CO 0.18 -0.00 0.23 0.00 -0.73 0.00 0.00 179.01 178.68 2dmx h ALA 49 N 1.40 0.63 -0.83 2.92 0.00 -1.69 -2.76 119.26 118.93 2dmx h ALA 49 Ca 0.35 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.30 2dmx h ALA 49 Cb 0.60 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 2dmx h ALA 49 CO -0.98 0.19 0.38 1.49 0.00 0.00 0.00 179.25 180.33 2dmx h GLU 50 N 0.64 0.50 0.85 0.00 4.81 0.12 -1.83 114.58 119.67 2dmx h GLU 50 Ca 0.17 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2dmx h GLU 50 Cb 0.13 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2dmx h GLU 50 CO -0.02 0.33 -0.45 -0.22 -0.73 0.00 0.00 179.01 177.93 2dmx h LYS 51 N 0.52 -1.14 -1.23 1.92 3.11 -0.83 -2.46 116.57 116.46 2dmx h LYS 51 Ca 0.47 0.08 0.35 0.00 -2.81 0.00 0.00 60.65 58.74 2dmx h LYS 51 Cb 0.73 0.26 -0.08 0.00 -1.00 0.00 0.00 32.23 32.14 2dmx h LYS 51 CO -0.41 -0.76 0.84 0.87 -2.81 0.00 0.00 179.45 177.18 2dmx h LYS 52 N -1.19 0.13 -1.08 1.90 1.79 -1.31 0.28 116.57 117.10 2dmx h LYS 52 Ca -0.12 -0.01 0.29 0.00 -2.18 0.00 0.00 60.65 58.64 2dmx h LYS 52 Cb 0.93 -0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 31.45 2dmx h LYS 52 CO 0.16 0.08 0.70 0.35 -1.08 0.00 0.00 179.45 179.67 2dmx h PHE 53 N 0.13 0.58 -0.02 -1.35 3.04 -0.84 0.82 116.94 119.31 2dmx h PHE 53 Ca 0.64 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 62.49 2dmx h PHE 53 Cb 2.21 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 40.53 2dmx h PHE 53 CO -0.00 0.03 -0.56 -0.22 -2.02 0.00 0.00 178.31 175.53 2dmx h LYS 54 N 0.32 0.05 -0.06 1.11 1.63 -0.53 -2.19 116.57 116.90 2dmx h LYS 54 Ca 0.61 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 60.34 2dmx h LYS 54 Cb 1.68 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.32 2dmx h LYS 54 CO -0.28 0.60 -0.14 -0.07 -3.45 0.00 0.00 179.45 176.11 2dmx h LEU 55 N 0.03 0.23 -1.60 5.20 3.38 0.53 0.21 115.31 123.29 2dmx h LEU 55 Ca -0.00 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.35 2dmx h LEU 55 Cb 1.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2dmx h LEU 55 CO 0.08 0.76 -0.20 1.62 0.09 0.00 0.00 178.44 180.79 2dmx h VAL 56 N -0.29 0.73 0.17 1.22 3.04 -1.28 -1.26 116.25 118.58 2dmx h VAL 56 Ca 0.00 -0.81 -0.35 0.00 -1.01 0.00 0.00 66.70 64.53 2dmx h VAL 56 Cb 0.72 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 2dmx h VAL 56 CO 0.03 0.19 -1.77 0.28 -1.01 0.00 0.00 177.57 175.30 2dmx h SER 57 N 0.00 0.55 0.48 3.17 0.02 -1.35 -3.20 113.55 113.23 2dmx h SER 57 Ca -0.00 -0.88 -0.02 0.00 -0.84 0.00 0.00 61.79 60.05 2dmx h SER 57 Cb 0.49 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2dmx h SER 57 CO 0.03 1.75 -0.23 -0.08 -1.14 0.00 0.00 176.83 177.15 2dmx h GLU 58 N 0.10 -0.62 -0.55 3.45 4.81 -0.41 -3.14 114.58 118.22 2dmx h GLU 58 Ca -0.34 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.03 2dmx h GLU 58 Cb 2.08 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 31.52 2dmx h GLU 58 CO 0.16 -0.32 0.08 0.00 -0.73 0.00 0.00 179.01 178.21 2dmx h ALA 59 N -0.69 0.61 -1.05 2.92 0.00 -1.43 0.03 119.26 119.65 2dmx h ALA 59 Ca -0.07 0.13 0.29 0.00 0.00 0.00 0.00 54.91 55.26 2dmx h ALA 59 Cb 0.59 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 18.46 2dmx h ALA 59 CO 0.11 -0.33 0.65 -0.92 0.00 0.00 0.00 179.25 178.76 2dmx h TYR 60 N 0.21 0.81 0.15 0.00 3.20 -1.58 0.22 116.97 119.98 2dmx h TYR 60 Ca 0.28 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.99 2dmx h TYR 60 Cb 0.41 -0.23 0.02 0.00 1.54 0.00 0.00 36.73 38.48 2dmx h TYR 60 CO -0.26 -0.01 -0.84 0.93 -1.64 0.00 0.00 178.16 176.34 2dmx h GLU 61 N 0.41 0.31 -0.85 1.82 5.08 -1.01 -0.47 114.58 119.87 2dmx h GLU 61 Ca 0.66 -0.53 0.18 0.00 -1.00 0.00 0.00 59.36 58.67 2dmx h GLU 61 Cb 1.56 0.20 -0.11 0.00 0.50 0.00 0.00 28.75 30.90 2dmx h GLU 61 CO -0.42 1.25 0.38 0.28 -1.00 0.00 0.00 179.01 179.50 2dmx h VAL 62 N -0.35 0.59 0.07 3.13 2.07 0.53 0.81 116.25 123.09 2dmx h VAL 62 Ca -0.15 -0.16 -0.22 0.00 0.82 0.00 0.00 66.70 66.99 2dmx h VAL 62 Cb 1.67 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2dmx h VAL 62 CO 0.16 0.09 -1.16 -0.07 0.02 0.00 0.00 177.57 176.61 2dmx h LEU 63 N 0.48 0.23 -0.87 2.57 3.38 -1.28 0.12 115.31 119.94 2dmx h LEU 63 Ca 0.50 -0.79 0.21 0.00 0.09 0.00 0.00 57.88 57.88 2dmx h LEU 63 Cb 0.83 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.39 2dmx h LEU 63 CO -0.45 1.49 0.35 -1.28 0.09 0.00 0.00 178.44 178.64 2dmx h SER 64 N -0.58 0.27 -3.96 -0.43 0.87 -0.69 -3.40 113.55 105.63 2dmx h SER 64 Ca -0.27 0.15 -0.48 0.00 -1.23 0.00 0.00 61.79 59.97 2dmx h SER 64 Cb 1.53 0.15 0.16 0.00 -0.44 0.00 0.00 62.40 63.80 2dmx h SER 64 CO -0.01 -0.01 0.21 -1.81 -0.53 0.00 0.00 176.83 174.68 2dmx s ASP 65 N -5.19 2.97 -0.19 6.23 1.01 0.24 -4.99 116.67 116.75 2dmx s ASP 65 Ca -0.12 1.54 -0.07 0.00 0.71 0.00 0.00 52.55 54.61 2dmx s ASP 65 Cb 0.24 -2.20 -0.21 0.00 1.01 0.00 0.00 42.92 41.76 2dmx s ASP 65 CO 0.77 -2.96 0.09 -1.54 0.21 0.00 0.00 175.17 171.74 2dmx n SER 66 N -4.10 2.03 -0.04 0.27 3.41 -1.26 -3.41 113.62 110.51 2dmx n SER 66 Ca 0.07 0.16 -0.16 0.00 -0.26 0.00 0.00 58.87 58.67 2dmx n SER 66 Cb 0.55 -0.74 -0.07 0.00 -0.26 0.00 0.00 64.21 63.69 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 -0.24 0.70 -0.17 4.33 5.09 -1.94 -1.32 116.57 123.02 2dmx h LYS 67 Ca -0.49 -0.53 -0.02 0.00 0.09 0.00 0.00 60.65 59.70 2dmx h LYS 67 Cb 1.84 0.10 -0.01 0.00 0.10 0.00 0.00 32.23 34.25 2dmx h LYS 67 CO -0.07 1.15 0.02 0.87 -2.09 0.00 0.00 179.45 179.32 2dmx h LYS 68 N 0.40 0.29 -0.21 0.07 1.57 -1.77 0.52 116.57 117.45 2dmx h LYS 68 Ca -0.03 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2dmx h LYS 68 Cb 1.22 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2dmx h LYS 68 CO 0.13 0.48 0.06 -0.09 -0.57 0.00 0.00 179.45 179.45 2dmx h ARG 69 N 0.06 0.33 -0.53 3.15 2.43 -0.77 0.50 114.38 119.55 2dmx h ARG 69 Ca 0.05 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2dmx h ARG 69 Cb 0.34 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2dmx h ARG 69 CO 0.01 0.44 0.27 1.03 -1.51 0.00 0.00 179.97 180.20 2dmx h SER 70 N 0.15 0.68 -0.46 -3.80 0.87 -1.22 -0.77 113.55 109.00 2dmx h SER 70 Ca 0.07 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 2dmx h SER 70 Cb 0.26 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2dmx h SER 70 CO -0.00 0.60 0.06 -0.07 -0.53 0.00 0.00 176.83 176.89 2dmx h LEU 71 N 0.70 0.74 -1.32 2.23 3.38 -0.79 -1.93 115.31 118.32 2dmx h LEU 71 Ca 0.18 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2dmx h LEU 71 Cb 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2dmx h LEU 71 CO -0.03 0.83 -0.05 0.22 0.09 0.00 0.00 178.44 179.50 2dmx h TYR 72 N 0.63 0.40 -0.09 1.13 3.20 -0.67 0.25 116.97 121.82 2dmx h TYR 72 Ca 0.14 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 2dmx h TYR 72 Cb 0.41 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 2dmx h TYR 72 CO 0.03 0.45 -0.08 0.22 -1.64 0.00 0.00 178.16 177.14 2dmx h ASP 73 N 0.37 0.23 -0.05 -2.11 1.82 -0.86 -1.19 116.42 114.64 2dmx h ASP 73 Ca 0.08 -0.47 -0.02 0.00 -0.39 0.00 0.00 57.03 56.23 2dmx h ASP 73 Cb 0.33 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.28 2dmx h ASP 73 CO 0.01 0.65 -0.05 0.08 -1.61 0.00 0.00 179.24 178.32 2dmx h ARG 74 N -0.19 0.12 0.61 0.28 0.11 -1.16 -3.33 114.38 110.82 2dmx h ARG 74 Ca 0.02 -0.06 -0.03 0.00 0.10 0.00 0.00 59.98 60.01 2dmx h ARG 74 Cb 0.58 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.66 2dmx h ARG 74 CO 0.02 0.58 -0.38 0.00 0.10 0.00 0.00 179.97 180.29 2dmx h ALA 75 N 0.54 -1.19 -0.15 0.08 0.00 -0.59 -3.47 119.26 114.48 2dmx h ALA 75 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2dmx h ALA 75 Cb 0.56 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2dmx h ALA 75 CO 0.01 -1.15 0.00 0.41 0.00 0.00 0.00 179.25 178.52 2dmx n GLY 76 N -1.48 1.73 0.24 0.00 0.00 -0.45 -3.73 105.19 101.50 2dmx n GLY 76 Ca -0.11 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.98 7.01 0.29 0.00 1.01 -1.24 -5.02 116.67 113.73 2dmx s ASP 78 Ca -0.13 2.44 -0.20 0.00 0.71 0.00 0.00 52.55 55.36 2dmx s ASP 78 Cb 0.02 -2.63 0.05 0.00 1.01 0.00 0.00 42.92 41.36 2dmx s ASP 78 CO 0.48 -0.34 0.82 -0.94 0.21 0.00 0.00 175.17 175.40 2dmx s SER 79 N -0.76 -0.12 0.11 0.27 1.04 -1.26 -4.68 113.70 108.30 2dmx s SER 79 Ca 0.47 -0.77 -0.16 0.00 0.48 0.00 0.00 55.95 55.97 2dmx s SER 79 Cb -0.35 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 2dmx s SER 79 CO 0.45 -1.36 1.56 -0.50 0.98 0.00 0.00 173.24 174.38 2dmx h TRP 80 N 2.00 0.66 -3.45 5.02 6.55 -2.00 -3.39 115.95 121.33 2dmx h TRP 80 Ca -0.25 -0.11 -0.69 0.00 0.95 0.00 0.00 58.89 58.79 2dmx h TRP 80 Cb 1.24 -0.17 -0.18 0.00 -0.86 0.00 0.00 29.16 29.19 2dmx h TRP 80 CO 0.86 0.71 -0.11 1.03 -1.05 0.00 0.00 178.44 179.88 2dmx s ARG 81 N -5.03 3.12 0.04 0.49 1.81 -1.26 -5.02 118.95 113.09 2dmx s ARG 81 Ca -0.13 -0.79 -0.22 0.00 -1.72 0.00 0.00 55.73 52.87 2dmx s ARG 81 Cb 0.09 -4.01 0.05 0.00 -0.45 0.00 0.00 34.95 30.63 2dmx s ARG 81 CO 0.77 -0.98 0.52 0.00 -0.68 0.00 0.00 175.30 174.93 2dmx s ALA 82 N 2.32 -1.32 0.00 2.13 0.00 -1.26 -5.12 121.76 118.50 2dmx s ALA 82 Ca 0.14 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.72 2dmx s ALA 82 Cb -0.18 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.28 2dmx s ALA 82 CO 0.13 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2dmx n GLY 83 N 0.49 4.19 3.17 0.00 0.00 -1.26 -5.10 105.19 106.68 2dmx n GLY 83 Ca -0.18 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.63 -2.62 0.00 -0.02 0.00 -1.26 -4.95 105.19 94.71 2dmx n GLY 84 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 2.25 0.57 3.86 -0.02 0.00 -1.26 -5.12 105.19 105.47 2dmx n GLY 85 Ca 0.11 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 3.35 0.27 4.61 0.00 -1.26 -5.09 121.76 121.64 2dmx s ALA 86 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 51.90 2dmx s ALA 86 Cb 0.00 -2.71 -0.05 0.00 0.00 0.00 0.00 23.12 20.36 2dmx s ALA 86 CO 0.00 0.23 0.10 -1.12 0.00 0.00 0.00 175.76 174.97 2dmx s SER 87 N -2.60 1.32 1.06 0.00 0.01 -1.26 -5.11 113.70 107.13 2dmx s SER 87 Ca 0.52 -1.41 -0.21 0.00 1.31 0.00 0.00 55.95 56.17 2dmx s SER 87 Cb -0.10 0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.28 2dmx s SER 87 CO 0.23 -0.74 -0.54 0.61 0.41 0.00 0.00 173.24 173.20 2dmx n GLY 88 N -0.50 -2.77 3.59 3.44 0.00 -1.26 -4.79 105.19 102.91 2dmx n GLY 88 Ca -0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.88 3.30 0.13 1.61 0.04 -1.26 -4.97 135.00 130.97 2dmx s PRO 89 Ca 0.48 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.72 2dmx s PRO 89 Cb -0.05 -4.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.27 2dmx s PRO 89 CO 0.67 -1.90 0.08 0.45 0.04 0.00 0.00 177.00 176.34 2dmx s SER 90 N 5.84 0.29 -0.25 6.66 0.15 -1.26 -5.14 113.70 119.99 2dmx s SER 90 Ca 0.74 -1.14 -0.10 0.00 0.70 0.00 0.00 55.95 56.15 2dmx s SER 90 Cb -0.19 0.30 -0.05 0.00 -1.71 0.00 0.00 66.02 64.37 2dmx s SER 90 CO 0.32 -0.74 0.16 -0.94 1.20 0.00 0.00 173.24 173.24 2dmx s SER 91 N -3.02 6.01 0.00 5.45 1.04 -1.26 -5.20 113.70 116.73 2dmx s SER 91 Ca 0.21 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.71 2dmx s SER 91 Cb 0.07 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 64.10 2dmx s SER 91 CO 0.00 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.87