#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmk s TYR 2 N 0.00 -0.65 0.18 0.00 6.14 -1.21 -4.74 117.35 117.06 1pmk s TYR 2 Ca 0.00 0.12 -0.24 0.00 0.64 0.00 0.00 57.07 57.59 1pmk s TYR 2 Cb 0.00 0.12 0.07 0.00 0.42 0.00 0.00 41.96 42.57 1pmk s TYR 2 CO 0.00 -0.44 1.57 1.25 0.64 0.00 0.00 175.55 178.57 1pmk h HIS 3 N 5.87 -1.24 0.00 4.97 -0.00 -1.57 6.58 115.15 129.76 1pmk h HIS 3 Ca -0.02 0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.43 1pmk h HIS 3 Cb 1.22 0.64 0.00 0.00 -0.00 0.00 0.00 27.41 29.27 1pmk h HIS 3 CO -0.06 -0.41 0.00 0.41 -0.00 0.00 0.00 177.93 177.87 1pmk n GLY 4 N -1.41 -0.64 0.53 5.26 0.00 -1.25 -4.64 105.19 103.04 1pmk n GLY 4 Ca 0.03 0.64 0.36 0.00 0.00 0.00 0.00 46.02 47.04 1pmk n GLY 4 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pmk h ASP 5 N 0.00 0.08 0.00 1.61 3.32 -1.86 -3.44 116.42 116.13 1pmk h ASP 5 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1pmk h ASP 5 Cb 0.00 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1pmk h ASP 5 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1pmk n GLY 6 N -1.73 0.77 0.29 2.75 0.00 -1.26 -3.70 105.19 102.32 1pmk n GLY 6 Ca 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.28 1pmk n GLY 6 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pmk h GLN 7 N 3.49 -0.07 -0.24 1.61 4.15 -1.85 0.64 115.11 122.83 1pmk h GLN 7 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 1pmk h GLN 7 Cb 0.00 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1pmk h GLN 7 CO 0.00 -0.05 -0.13 0.77 -1.93 0.00 0.00 178.83 177.49 1pmk h SER 8 N -0.07 0.39 -0.15 -0.69 0.02 -1.94 -3.46 113.55 107.64 1pmk h SER 8 Ca 0.28 -0.09 -0.63 0.00 -0.84 0.00 0.00 61.79 60.51 1pmk h SER 8 Cb 0.52 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1pmk h SER 8 CO -0.69 0.55 0.96 0.00 -1.14 0.00 0.00 176.83 176.51 1pmk n TYR 9 N -4.22 1.02 -0.22 3.45 9.36 0.21 -4.80 117.16 121.97 1pmk n TYR 9 Ca 0.00 0.67 0.04 0.00 3.32 0.00 0.00 57.90 61.94 1pmk n TYR 9 Cb 0.31 -1.82 0.10 0.00 -0.63 0.00 0.00 39.34 37.30 1pmk n TYR 9 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1pmk n ARG 10 N 5.45 2.85 -0.04 2.98 3.00 -1.26 -4.89 116.66 124.75 1pmk n ARG 10 Ca 0.40 -1.94 -0.02 0.00 -0.01 0.00 0.00 57.85 56.29 1pmk n ARG 10 Cb -0.04 -1.23 0.02 0.00 0.00 0.00 0.00 32.46 31.22 1pmk n ARG 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1pmk n GLY 11 N -0.02 -2.21 2.35 -0.13 0.00 -1.26 -5.02 105.19 98.90 1pmk n GLY 11 Ca 0.08 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 1pmk n GLY 11 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pmk n THR 12 N -2.81 0.27 -4.33 2.61 -2.24 -1.26 -4.83 114.28 101.70 1pmk n THR 12 Ca 0.01 -4.32 -0.31 0.00 -2.27 0.00 0.00 64.05 57.16 1pmk n THR 12 Cb 0.04 -1.97 -0.10 0.00 -2.10 0.00 0.00 70.33 66.20 1pmk n THR 12 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1pmk s SER 13 N -1.36 4.51 0.00 3.42 0.15 -1.26 -5.02 113.70 114.14 1pmk s SER 13 Ca 0.35 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1pmk s SER 13 Cb 0.12 -0.95 0.00 0.00 -1.71 0.00 0.00 66.02 63.49 1pmk s SER 13 CO -0.10 0.22 0.57 -1.54 1.20 0.00 0.00 173.24 173.59 1pmk n SER 14 N 1.04 0.00 -3.96 5.45 3.41 -1.26 -2.24 113.62 116.06 1pmk n SER 14 Ca -0.14 -1.30 -0.16 0.00 -0.26 0.00 0.00 58.87 57.02 1pmk n SER 14 Cb 0.52 -0.06 -0.14 0.00 -0.26 0.00 0.00 64.21 64.27 1pmk n SER 14 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1pmk s THR 15 N 0.00 0.42 0.85 6.66 -4.23 -1.26 0.23 115.64 118.31 1pmk s THR 15 Ca 0.00 -0.24 -0.09 0.00 -1.18 0.00 0.00 61.69 60.18 1pmk s THR 15 Cb 0.00 -0.35 0.16 0.00 1.34 0.00 0.00 72.50 73.65 1pmk s THR 15 CO 0.00 0.11 1.17 0.42 -0.54 0.00 0.00 174.62 175.78 1pmk s THR 16 N -0.14 2.07 -1.01 3.99 -4.23 -0.79 -1.64 115.64 113.88 1pmk s THR 16 Ca 0.02 -0.26 0.01 0.00 -1.18 0.00 0.00 61.69 60.28 1pmk s THR 16 Cb -0.02 -2.81 0.06 0.00 1.34 0.00 0.00 72.50 71.07 1pmk s THR 16 CO -0.00 0.00 0.63 0.41 -0.54 0.00 0.00 174.62 175.12 1pmk n THR 17 N -3.34 0.21 0.00 3.99 -1.04 -0.13 -2.07 114.28 111.89 1pmk n THR 17 Ca 0.15 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1pmk n THR 17 Cb 0.60 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 1pmk n THR 17 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1pmk n THR 18 N 0.02 0.00 0.00 12.58 -2.24 -1.26 -5.01 114.28 118.37 1pmk n THR 18 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1pmk n THR 18 Cb 0.31 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1pmk n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pmk n GLY 19 N 2.47 1.07 3.71 3.38 0.00 -0.88 -5.13 105.19 109.81 1pmk n GLY 19 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1pmk n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pmk s LYS 20 N -0.62 -0.24 -0.04 1.61 1.02 -1.26 -4.73 119.74 115.47 1pmk s LYS 20 Ca 0.00 -0.01 -0.03 0.00 0.02 0.00 0.00 55.97 55.96 1pmk s LYS 20 Cb 0.00 -1.71 -0.04 0.00 -0.52 0.00 0.00 37.83 35.57 1pmk s LYS 20 CO 0.00 -3.07 0.10 -1.59 -0.92 0.00 0.00 175.35 169.87 1pmk s LYS 21 N -5.43 3.20 0.37 1.68 -2.85 -1.26 -1.89 119.74 113.57 1pmk s LYS 21 Ca 0.70 -0.36 -0.26 0.00 -1.00 0.00 0.00 55.97 55.04 1pmk s LYS 21 Cb -0.10 -2.96 -0.09 0.00 -2.06 0.00 0.00 37.83 32.61 1pmk s LYS 21 CO 0.55 0.69 1.20 0.00 0.10 0.00 0.00 175.35 177.89 1pmk s GLN 23 N -2.11 3.07 0.28 0.00 0.74 0.57 -4.76 119.66 117.45 1pmk s GLN 23 Ca 0.54 0.76 -0.29 0.00 0.05 0.00 0.00 55.36 56.43 1pmk s GLN 23 Cb -0.33 -2.02 -0.09 0.00 1.10 0.00 0.00 33.01 31.67 1pmk s GLN 23 CO 0.42 -0.96 1.04 -1.54 -0.55 0.00 0.00 175.29 173.71 1pmk s SER 24 N -4.04 7.33 0.45 6.67 1.04 -1.26 -4.60 113.70 119.29 1pmk s SER 24 Ca 0.57 2.12 0.15 0.00 0.48 0.00 0.00 55.95 59.28 1pmk s SER 24 Cb -0.12 -2.61 1.09 0.00 0.10 0.00 0.00 66.02 64.47 1pmk s SER 24 CO 0.54 -0.09 2.01 -0.50 0.98 0.00 0.00 173.24 176.18 1pmk h TRP 25 N 3.73 0.34 0.00 5.02 4.06 -1.59 -0.52 115.95 126.98 1pmk h TRP 25 Ca -0.46 0.01 -0.10 0.00 2.06 0.00 0.00 58.89 60.40 1pmk h TRP 25 Cb 1.21 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 29.24 1pmk h TRP 25 CO 0.59 0.17 -0.47 0.77 -3.56 0.00 0.00 178.44 175.95 1pmk h SER 26 N 0.32 0.00 -3.52 -3.49 0.02 -1.80 -3.40 113.55 101.69 1pmk h SER 26 Ca 0.23 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.66 1pmk h SER 26 Cb 0.50 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 1pmk h SER 26 CO -0.05 0.47 0.04 -0.55 -1.14 0.00 0.00 176.83 175.60 1pmk s SER 27 N -6.65 6.94 0.00 3.07 0.15 -0.21 -5.00 113.70 112.00 1pmk s SER 27 Ca -0.01 1.28 0.00 0.00 0.70 0.00 0.00 55.95 57.93 1pmk s SER 27 Cb 0.12 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1pmk s SER 27 CO 0.72 0.01 0.46 0.23 1.20 0.00 0.00 173.24 175.87 1pmk n MET 28 N 0.55 0.37 -0.08 5.44 2.81 -1.26 -4.76 117.12 120.19 1pmk n MET 28 Ca -0.02 -0.57 -0.07 0.00 -1.81 0.00 0.00 57.70 55.23 1pmk n MET 28 Cb 0.52 -0.74 -0.00 0.00 -0.71 0.00 0.00 33.22 32.28 1pmk n MET 28 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pmk h THR 29 N 0.96 0.49 0.00 2.03 1.03 -1.94 -3.29 112.91 112.19 1pmk h THR 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1pmk h THR 29 Cb 0.48 0.49 0.00 0.00 -1.07 0.00 0.00 68.15 68.04 1pmk h THR 29 CO 0.00 0.00 0.00 -0.81 -0.01 0.00 0.00 175.52 174.70 1pmk n PRO 30 N -5.34 0.00 -4.00 0.00 -0.05 -1.26 -4.87 135.00 119.47 1pmk n PRO 30 Ca 0.01 0.40 -0.31 0.00 -0.05 0.00 0.00 63.50 63.54 1pmk n PRO 30 Cb 0.26 -0.89 -0.15 0.00 -0.05 0.00 0.00 33.50 32.66 1pmk n PRO 30 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 175.50 174.44 1pmk s HIS 31 N -0.95 2.97 -0.32 0.54 3.76 -1.25 -5.01 115.29 115.03 1pmk s HIS 31 Ca 0.00 -2.20 -0.29 0.00 -0.15 0.00 0.00 55.06 52.43 1pmk s HIS 31 Cb 0.00 -1.93 -0.01 0.00 1.11 0.00 0.00 32.58 31.75 1pmk s HIS 31 CO 0.00 -0.85 1.59 1.03 -0.85 0.00 0.00 174.74 175.66 1pmk s ARG 32 N 1.20 3.58 0.20 1.40 0.52 -1.24 -4.57 118.95 120.03 1pmk s ARG 32 Ca -0.05 1.32 0.04 0.00 -0.52 0.00 0.00 55.73 56.53 1pmk s ARG 32 Cb -0.19 -4.07 -0.05 0.00 0.52 0.00 0.00 34.95 31.15 1pmk s ARG 32 CO -0.07 -1.55 -0.04 -3.38 0.02 0.00 0.00 175.30 170.28 1pmk s HIS 33 N 5.77 1.45 -0.18 -0.53 -3.43 -1.26 -5.08 115.29 112.03 1pmk s HIS 33 Ca 0.70 -0.85 -0.13 0.00 -0.80 0.00 0.00 55.06 53.98 1pmk s HIS 33 Cb -0.20 -0.80 -0.21 0.00 -1.43 0.00 0.00 32.58 29.94 1pmk s HIS 33 CO 0.31 0.02 0.18 1.04 -2.00 0.00 0.00 174.74 174.29 1pmk n GLN 34 N -0.33 0.66 -1.96 -0.38 3.00 -1.26 -4.71 117.38 112.40 1pmk n GLN 34 Ca -0.07 0.38 -0.25 0.00 -0.01 0.00 0.00 57.00 57.05 1pmk n GLN 34 Cb 0.62 -1.69 -0.06 0.00 0.00 0.00 0.00 30.24 29.12 1pmk n GLN 34 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1pmk s LYS 35 N -2.47 2.29 0.28 -1.09 3.01 -1.26 -4.65 119.74 115.86 1pmk s LYS 35 Ca -0.28 -0.55 0.11 0.00 -1.01 0.00 0.00 55.97 54.24 1pmk s LYS 35 Cb 0.07 -5.09 -0.05 0.00 -1.01 0.00 0.00 37.83 31.75 1pmk s LYS 35 CO 0.66 -3.93 -0.17 0.95 0.51 0.00 0.00 175.35 173.37 1pmk s THR 37 N 11.62 2.31 0.55 2.17 -4.23 -1.26 -4.90 115.64 121.90 1pmk s THR 37 Ca 0.73 -2.33 0.29 0.00 -1.18 0.00 0.00 61.69 59.20 1pmk s THR 37 Cb -0.05 -2.34 0.44 0.00 1.34 0.00 0.00 72.50 71.89 1pmk s THR 37 CO 0.07 -0.38 1.91 -0.65 -0.54 0.00 0.00 174.62 175.03 1pmk h PRO 38 N 2.26 0.00 0.00 3.99 0.10 -1.80 -2.22 132.00 134.34 1pmk h PRO 38 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.70 1pmk h PRO 38 Cb 1.25 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.35 1pmk h PRO 38 CO 0.63 0.00 0.00 -1.91 0.10 0.00 0.00 178.00 176.82 1pmk n GLU 39 N -4.16 0.00 0.00 1.05 2.13 -1.26 -1.77 120.64 116.63 1pmk n GLU 39 Ca 0.14 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.60 1pmk n GLU 39 Cb 0.81 -1.44 0.00 0.00 0.27 0.00 0.00 31.44 31.08 1pmk n GLU 39 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1pmk n ASN 40 N -2.20 0.44 -2.71 4.31 5.03 -1.08 -3.74 115.26 115.32 1pmk n ASN 40 Ca 0.00 -1.61 -0.08 0.00 0.87 0.00 0.00 54.58 53.76 1pmk n ASN 40 Cb 0.00 -0.22 0.10 0.00 -1.02 0.00 0.00 39.78 38.64 1pmk n ASN 40 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1pmk n TYR 41 N -0.17 -2.09 -0.33 3.10 4.01 -0.86 -4.89 117.16 115.93 1pmk n TYR 41 Ca 0.00 -2.08 0.21 0.00 -0.16 0.00 0.00 57.90 55.87 1pmk n TYR 41 Cb 0.11 1.36 0.47 0.00 -0.31 0.00 0.00 39.34 40.97 1pmk n TYR 41 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1pmk h PRO 42 N 2.27 0.43 -0.51 -0.72 0.10 -1.43 -0.07 132.00 132.07 1pmk h PRO 42 Ca -0.23 -0.03 -0.05 0.00 0.10 0.00 0.00 66.00 65.80 1pmk h PRO 42 Cb 1.25 -0.10 -0.02 0.00 0.10 0.00 0.00 31.00 32.23 1pmk h PRO 42 CO 0.03 0.29 0.13 -0.91 0.10 0.00 0.00 178.00 177.64 1pmk h ASN 43 N 0.45 0.77 -1.97 -2.05 2.35 -1.92 -3.46 115.58 109.75 1pmk h ASN 43 Ca 0.61 -0.23 -0.43 0.00 -0.55 0.00 0.00 56.30 55.70 1pmk h ASN 43 Cb 1.44 -0.20 0.02 0.00 0.05 0.00 0.00 38.32 39.63 1pmk h ASN 43 CO -0.35 0.80 -0.20 0.00 -1.65 0.00 0.00 177.43 176.03 1pmk s ALA 44 N -5.32 4.20 -1.07 -0.83 0.00 -0.04 -4.98 121.76 113.73 1pmk s ALA 44 Ca -0.13 -1.45 -0.26 0.00 0.00 0.00 0.00 51.96 50.11 1pmk s ALA 44 Cb 0.12 -1.82 -0.22 0.00 0.00 0.00 0.00 23.12 21.20 1pmk s ALA 44 CO 0.80 -0.36 2.07 0.41 0.00 0.00 0.00 175.76 178.68 1pmk n GLY 45 N -1.96 -0.16 2.86 0.00 0.00 -1.26 -4.65 105.19 100.01 1pmk n GLY 45 Ca 0.05 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1pmk n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pmk n LEU 46 N 18.67 4.71 0.00 0.99 4.32 -1.26 -4.73 117.00 139.70 1pmk n LEU 46 Ca 0.42 -5.63 0.00 0.00 -0.02 0.00 0.00 56.01 50.78 1pmk n LEU 46 Cb 0.47 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 1pmk n LEU 46 CO 0.63 2.29 0.00 0.41 -1.22 0.00 0.00 177.39 179.50 1pmk n THR 47 N -0.10 0.00 0.00 -5.08 -1.04 -1.26 -3.48 114.28 103.32 1pmk n THR 47 Ca 0.32 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 1pmk n THR 47 Cb 0.38 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 1pmk n THR 47 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1pmk n MET 48 N 0.00 0.00 -2.30 -2.82 2.81 -1.26 -3.86 117.12 109.70 1pmk n MET 48 Ca 0.00 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.69 1pmk n MET 48 Cb 0.00 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.53 1pmk n MET 48 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1pmk n ASN 49 N 0.00 4.14 -4.99 7.83 6.94 -1.26 -2.45 115.26 125.46 1pmk n ASN 49 Ca 0.00 -3.41 -0.19 0.00 -0.02 0.00 0.00 54.58 50.96 1pmk n ASN 49 Cb 0.00 -0.40 0.01 0.00 -2.36 0.00 0.00 39.78 37.03 1pmk n ASN 49 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1pmk s TYR 50 N -3.58 2.96 0.29 -2.53 1.51 -1.25 -4.25 117.35 110.49 1pmk s TYR 50 Ca 0.45 -0.21 -0.29 0.00 -1.01 0.00 0.00 57.07 56.01 1pmk s TYR 50 Cb 0.40 -2.31 -0.10 0.00 -0.11 0.00 0.00 41.96 39.83 1pmk s TYR 50 CO -0.03 -0.36 1.32 0.00 -1.11 0.00 0.00 175.55 175.38 1pmk s ARG 52 N -1.25 0.68 -0.56 0.00 3.00 -0.78 -4.81 118.95 115.24 1pmk s ARG 52 Ca 0.52 0.01 0.04 0.00 0.00 0.00 0.00 55.73 56.30 1pmk s ARG 52 Cb -0.39 0.32 0.16 0.00 0.00 0.00 0.00 34.95 35.04 1pmk s ARG 52 CO 0.48 -0.24 0.40 0.54 0.00 0.00 0.00 175.30 176.48 1pmk s ASN 53 N -1.55 3.45 0.04 0.23 6.03 -1.26 0.88 114.94 122.76 1pmk s ASN 53 Ca -0.00 -3.38 0.06 0.00 -1.03 0.00 0.00 52.86 48.51 1pmk s ASN 53 Cb -0.01 -1.12 0.29 0.00 -3.03 0.00 0.00 41.25 37.38 1pmk s ASN 53 CO -0.01 -0.14 1.20 -0.81 -2.03 0.00 0.00 177.10 175.30 1pmk n PRO 54 N 2.53 0.02 -0.39 3.55 -0.04 -1.26 -4.50 135.00 134.91 1pmk n PRO 54 Ca 0.21 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 1pmk n PRO 54 Cb 0.39 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1pmk n PRO 54 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1pmk n ASP 55 N -1.60 0.00 -2.40 3.54 5.75 -1.26 -5.00 116.55 115.59 1pmk n ASP 55 Ca 0.01 -0.45 -0.18 0.00 -0.01 0.00 0.00 54.79 54.17 1pmk n ASP 55 Cb 0.05 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.16 1pmk n ASP 55 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pmk n ALA 56 N -3.00 4.30 -1.63 2.12 0.00 -1.26 -4.98 120.51 116.06 1pmk n ALA 56 Ca 0.00 -3.62 -0.29 0.00 0.00 0.00 0.00 53.44 49.53 1pmk n ALA 56 Cb 0.00 -0.58 0.12 0.00 0.00 0.00 0.00 19.45 18.99 1pmk n ALA 56 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1pmk s ASP 57 N -3.56 3.84 0.05 0.00 -1.08 -1.26 -5.01 116.67 109.64 1pmk s ASP 57 Ca 0.42 0.95 -0.24 0.00 -0.52 0.00 0.00 52.55 53.16 1pmk s ASP 57 Cb 0.40 -1.52 -0.12 0.00 -1.46 0.00 0.00 42.92 40.22 1pmk s ASP 57 CO -0.04 -2.34 1.37 0.07 0.52 0.00 0.00 175.17 174.75 1pmk h LYS 58 N -1.35 -0.69 -5.96 4.34 2.10 -1.95 -3.44 116.57 109.61 1pmk h LYS 58 Ca -0.49 0.05 -0.55 0.00 -2.00 0.00 0.00 60.65 57.65 1pmk h LYS 58 Cb 1.33 0.16 -0.14 0.00 -0.90 0.00 0.00 32.23 32.67 1pmk h LYS 58 CO 0.63 -0.46 -0.75 0.20 -2.00 0.00 0.00 179.45 177.07 1pmk s GLY 60 N -1.71 1.73 0.30 0.07 0.00 -1.25 -4.08 107.32 102.38 1pmk s GLY 60 Ca -0.12 -1.81 -0.25 0.00 0.00 0.00 0.00 44.72 42.54 1pmk s GLY 60 CO 0.39 -1.89 0.90 2.56 0.00 0.00 0.00 173.10 175.06 1pmk s PRO 61 N -3.57 4.54 0.00 2.90 0.04 -1.24 -4.48 135.00 133.18 1pmk s PRO 61 Ca 0.27 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1pmk s PRO 61 Cb -0.03 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1pmk s PRO 61 CO 0.12 0.32 0.00 -2.67 0.04 0.00 0.00 177.00 174.81 1pmk n TRP 62 N 0.67 -0.10 -4.02 0.56 4.27 0.25 -3.80 117.44 115.28 1pmk n TRP 62 Ca 0.01 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.52 1pmk n TRP 62 Cb 0.50 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.39 1pmk n TRP 62 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1pmk s PHE 64 N -3.99 3.21 0.75 0.00 0.08 -1.26 -2.28 117.98 114.50 1pmk s PHE 64 Ca 0.24 0.11 -0.13 0.00 0.12 0.00 0.00 56.93 57.27 1pmk s PHE 64 Cb 0.00 -2.72 0.05 0.00 -0.57 0.00 0.00 43.02 39.78 1pmk s PHE 64 CO 0.10 -0.42 1.15 0.99 -0.10 0.00 0.00 175.22 176.94 1pmk s THR 65 N 2.13 2.65 -2.10 0.64 2.01 -1.19 0.21 115.64 120.00 1pmk s THR 65 Ca 0.14 0.28 0.27 0.00 0.31 0.00 0.00 61.69 62.69 1pmk s THR 65 Cb -0.16 -2.72 0.43 0.00 0.01 0.00 0.00 72.50 70.06 1pmk s THR 65 CO 0.12 -0.21 1.69 0.35 -0.69 0.00 0.00 174.62 175.87 1pmk n THR 66 N -3.04 0.00 -2.75 -0.82 -2.24 -1.13 -4.35 114.28 99.94 1pmk n THR 66 Ca 0.12 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.29 1pmk n THR 66 Cb 0.51 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 1pmk n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pmk s ASP 67 N -2.26 6.74 0.64 3.42 2.15 -1.26 -4.85 116.67 121.25 1pmk s ASP 67 Ca 0.32 0.69 0.36 0.00 0.43 0.00 0.00 52.55 54.35 1pmk s ASP 67 Cb 0.20 -2.49 2.03 0.00 -0.30 0.00 0.00 42.92 42.36 1pmk s ASP 67 CO 0.43 -0.89 2.23 1.55 -0.17 0.00 0.00 175.17 178.31 1pmk h PRO 68 N 8.44 0.00 0.00 4.34 0.13 -1.95 0.25 132.00 143.21 1pmk h PRO 68 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1pmk h PRO 68 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1pmk h PRO 68 CO 1.01 0.00 -0.73 0.45 -0.23 0.00 0.00 178.00 178.50 1pmk n SER 69 N -3.37 0.62 -3.98 1.44 2.88 -1.26 -4.74 113.62 105.20 1pmk n SER 69 Ca -0.02 -0.14 -0.30 0.00 -1.33 0.00 0.00 58.87 57.09 1pmk n SER 69 Cb 0.17 0.42 -0.16 0.00 -0.75 0.00 0.00 64.21 63.89 1pmk n SER 69 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1pmk s VAL 70 N -3.12 1.47 0.07 2.46 1.01 0.88 -5.00 120.40 118.18 1pmk s VAL 70 Ca 0.07 -0.68 0.16 0.00 0.00 0.00 0.00 61.98 61.53 1pmk s VAL 70 Cb 0.15 -1.46 0.08 0.00 0.00 0.00 0.00 36.38 35.14 1pmk s VAL 70 CO 0.75 0.34 1.60 -0.09 0.00 0.00 0.00 175.10 177.70 1pmk h ARG 71 N 8.06 0.00 0.00 2.72 9.65 -1.85 -3.34 114.38 129.61 1pmk h ARG 71 Ca -0.33 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.55 1pmk h ARG 71 Cb 1.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 1pmk h ARG 71 CO 0.49 0.48 0.00 -2.67 2.80 0.00 0.00 179.97 181.06 1pmk n TRP 72 N -3.44 0.00 -4.12 2.20 4.27 -1.26 -3.13 117.44 111.96 1pmk n TRP 72 Ca 0.00 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.49 1pmk n TRP 72 Cb 0.62 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.50 1pmk n TRP 72 CO 0.00 0.00 0.00 -1.83 -2.29 0.00 0.00 177.69 173.57 1pmk s GLU 73 N -1.62 1.50 0.15 -2.67 -1.05 -0.96 -4.93 118.70 109.12 1pmk s GLU 73 Ca 0.00 -1.57 -0.29 0.00 -0.15 0.00 0.00 54.97 52.97 1pmk s GLU 73 Cb 0.00 0.37 -0.07 0.00 -0.44 0.00 0.00 34.13 33.99 1pmk s GLU 73 CO 0.00 -0.57 0.90 0.71 0.95 0.00 0.00 175.26 177.25 1pmk s TYR 74 N -3.83 3.87 0.32 4.83 2.02 -1.26 -1.60 117.35 121.69 1pmk s TYR 74 Ca 0.32 1.77 -0.05 0.00 -0.37 0.00 0.00 57.07 58.74 1pmk s TYR 74 Cb 0.03 -2.96 0.07 0.00 -0.40 0.00 0.00 41.96 38.70 1pmk s TYR 74 CO 0.14 0.34 0.43 0.00 -1.57 0.00 0.00 175.55 174.89 1pmk s ASN 76 N -2.59 5.19 -0.06 0.00 2.47 -0.65 -4.34 114.94 114.95 1pmk s ASN 76 Ca 0.25 -1.26 -0.22 0.00 0.42 0.00 0.00 52.86 52.05 1pmk s ASN 76 Cb -0.01 -1.82 0.05 0.00 -1.45 0.00 0.00 41.25 38.02 1pmk s ASN 76 CO 0.17 -0.33 0.50 -1.48 -3.72 0.00 0.00 177.10 172.24 1pmk s LEU 77 N 1.34 0.09 0.46 3.21 2.34 -1.26 -4.97 118.68 119.89 1pmk s LEU 77 Ca -0.02 0.53 0.02 0.00 0.06 0.00 0.00 54.13 54.72 1pmk s LEU 77 Cb -0.20 1.87 0.01 0.00 -0.56 0.00 0.00 46.19 47.31 1pmk s LEU 77 CO 0.01 -0.46 0.67 -0.75 -1.06 0.00 0.00 176.35 174.76 1pmk s LYS 78 N -0.95 2.90 0.48 1.48 2.20 -1.26 -5.03 119.74 119.55 1pmk s LYS 78 Ca -0.10 -0.71 -0.12 0.00 -0.36 0.00 0.00 55.97 54.69 1pmk s LYS 78 Cb -0.03 -2.59 -0.06 0.00 -1.51 0.00 0.00 37.83 33.64 1pmk s LYS 78 CO 0.06 -0.36 0.87 0.21 -0.36 0.00 0.00 175.35 175.77 1pmk s LYS 79 N -4.55 3.77 0.00 4.03 2.47 -1.26 -3.36 119.74 120.84 1pmk s LYS 79 Ca 0.51 0.61 0.00 0.00 -1.56 0.00 0.00 55.97 55.53 1pmk s LYS 79 Cb -0.10 -2.27 0.00 0.00 -1.46 0.00 0.00 37.83 34.00 1pmk s LYS 79 CO 0.37 -0.20 0.00 0.00 0.16 0.00 0.00 175.35 175.67