#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cnk s VAL 2560N 0.00 4.01 -0.12 -0.18 1.01 -1.26 -4.09 120.40 119.77 3cnk s VAL 2560Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 3cnk s VAL 2560Cb 0.00 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.71 3cnk s VAL 2560CO 0.00 0.56 -0.06 -0.69 0.00 0.00 0.00 175.10 174.91 3cnk s VAL 2561N -0.37 0.94 0.13 2.92 1.01 -0.82 -4.51 120.40 119.69 3cnk s VAL 2561Ca 0.06 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 3cnk s VAL 2561Cb -0.12 -1.03 -0.06 0.00 0.00 0.00 0.00 36.38 35.17 3cnk s VAL 2561CO 0.02 0.28 0.43 0.00 0.00 0.00 0.00 175.10 175.83 3cnk s ALA 2562N 1.73 3.71 0.13 5.51 0.00 -1.26 -0.70 121.76 130.89 3cnk s ALA 2562Ca 0.04 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.53 3cnk s ALA 2562Cb -0.13 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 3cnk s ALA 2562CO -0.08 0.59 0.18 0.15 0.00 0.00 0.00 175.76 176.60 3cnk s LYS 2563N -2.35 1.00 0.00 0.00 -0.14 -0.51 -5.00 119.74 112.74 3cnk s LYS 2563Ca 0.39 -1.22 0.00 0.00 -1.36 0.00 0.00 55.97 53.78 3cnk s LYS 2563Cb -0.13 0.32 0.00 0.00 -1.68 0.00 0.00 37.83 36.34 3cnk s LYS 2563CO 0.21 -0.33 0.00 0.41 -0.76 0.00 0.00 175.35 174.88 3cnk n GLY 2564N -0.13 3.06 0.29 -3.33 0.00 -1.26 -0.64 105.19 103.19 3cnk n GLY 2564Ca -0.09 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.93 3cnk n GLY 2564CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3cnk h LEU 2565N 0.00 0.59 0.00 0.99 3.38 -1.93 -2.87 115.31 115.47 3cnk h LEU 2565Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3cnk h LEU 2565Cb 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3cnk h LEU 2565CO 0.00 0.57 0.00 0.61 0.09 0.00 0.00 178.44 179.71 3cnk n GLY 2566N -1.05 -0.79 0.25 0.83 0.00 0.10 -1.78 105.19 102.75 3cnk n GLY 2566Ca 0.03 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.15 3cnk n GLY 2566CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3cnk h LEU 2567N 0.00 0.00 0.00 0.99 3.38 -1.73 -3.38 115.31 114.57 3cnk h LEU 2567Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3cnk h LEU 2567Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3cnk h LEU 2567CO 0.00 0.00 -0.30 -1.54 0.09 0.00 0.00 178.44 176.69 3cnk n SER 2568N -2.97 1.48 -4.02 -0.43 3.41 -0.78 -4.48 113.62 105.82 3cnk n SER 2568Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.50 3cnk n SER 2568Cb 0.31 0.26 -0.12 0.00 -0.26 0.00 0.00 64.21 64.40 3cnk n SER 2568CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3cnk s LYS 2569N -0.75 0.44 0.14 4.33 1.02 -0.73 -2.48 119.74 121.70 3cnk s LYS 2569Ca 0.00 -0.64 -0.16 0.00 0.02 0.00 0.00 55.97 55.20 3cnk s LYS 2569Cb 0.00 -0.18 0.03 0.00 -0.52 0.00 0.00 37.83 37.16 3cnk s LYS 2569CO 0.00 0.02 0.41 0.00 -0.92 0.00 0.00 175.35 174.87 3cnk s ALA 2570N -1.24 -0.85 -0.01 5.17 0.00 -1.17 -4.08 121.76 119.58 3cnk s ALA 2570Ca -0.10 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 51.72 3cnk s ALA 2570Cb -0.09 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 3cnk s ALA 2570CO -0.00 -0.67 -0.08 0.71 0.00 0.00 0.00 175.76 175.72 3cnk s TYR 2571N -3.83 0.73 -0.13 0.00 2.02 -1.26 -4.23 117.35 110.65 3cnk s TYR 2571Ca 0.05 -0.14 -0.38 0.00 -0.37 0.00 0.00 57.07 56.24 3cnk s TYR 2571Cb 0.01 -0.47 -0.15 0.00 -0.40 0.00 0.00 41.96 40.96 3cnk s TYR 2571CO -0.09 -0.02 1.68 0.28 -1.57 0.00 0.00 175.55 175.83 3cnk n VAL 2572N 2.91 0.28 -1.00 0.71 0.31 -1.26 -1.90 118.33 118.39 3cnk n VAL 2572Ca -0.14 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3cnk n VAL 2572Cb 0.57 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 3cnk n VAL 2572CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cnk n GLY 2573N 3.85 0.61 3.23 2.92 0.00 -0.61 -5.02 105.19 110.17 3cnk n GLY 2573Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 3cnk n GLY 2573CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cnk s GLN 2574N -0.04 2.19 0.15 1.61 -0.21 -0.80 -5.03 119.66 117.53 3cnk s GLN 2574Ca 0.00 -0.80 -0.31 0.00 0.02 0.00 0.00 55.36 54.26 3cnk s GLN 2574Cb 0.00 -1.91 -0.10 0.00 1.00 0.00 0.00 33.01 32.00 3cnk s GLN 2574CO 0.00 0.36 1.70 0.15 -2.12 0.00 0.00 175.29 175.38 3cnk s LYS 2575N -0.18 4.17 -0.10 2.91 -0.14 -1.26 -4.46 119.74 120.67 3cnk s LYS 2575Ca -0.01 2.49 -0.04 0.00 -1.36 0.00 0.00 55.97 57.05 3cnk s LYS 2575Cb -0.12 -3.35 -0.04 0.00 -1.68 0.00 0.00 37.83 32.65 3cnk s LYS 2575CO 0.02 -0.74 0.05 0.45 -0.76 0.00 0.00 175.35 174.38 3cnk s SER 2576N 1.85 5.63 0.05 2.83 0.15 -0.02 -4.91 113.70 119.27 3cnk s SER 2576Ca 0.75 0.24 0.07 0.00 0.70 0.00 0.00 55.95 57.71 3cnk s SER 2576Cb -0.45 -1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 62.13 3cnk s SER 2576CO 0.33 0.37 -0.20 -0.44 1.20 0.00 0.00 173.24 174.50 3cnk s SER 2577N -0.82 2.41 0.21 5.45 0.01 -1.26 -0.87 113.70 118.83 3cnk s SER 2577Ca 0.13 -0.54 -0.13 0.00 1.31 0.00 0.00 55.95 56.72 3cnk s SER 2577Cb -0.12 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.93 3cnk s SER 2577CO 0.03 0.14 0.43 0.72 0.41 0.00 0.00 173.24 174.97 3cnk s PHE 2578N -0.85 0.25 0.19 2.43 -0.71 -0.43 -0.73 117.98 118.13 3cnk s PHE 2578Ca 0.07 -0.61 0.10 0.00 -1.04 0.00 0.00 56.93 55.45 3cnk s PHE 2578Cb -0.09 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.85 3cnk s PHE 2578CO 0.02 -0.89 -0.21 0.95 -1.34 0.00 0.00 175.22 173.75 3cnk s THR 2579N -3.97 2.09 -0.15 -4.49 -4.23 0.19 -0.32 115.64 104.76 3cnk s THR 2579Ca 0.17 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 3cnk s THR 2579Cb 0.00 -2.00 0.03 0.00 1.34 0.00 0.00 72.50 71.87 3cnk s THR 2579CO 0.03 -0.25 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.07 3cnk s VAL 2580N -1.96 1.37 -0.42 2.29 1.01 -0.07 -1.42 120.40 121.20 3cnk s VAL 2580Ca 0.19 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 3cnk s VAL 2580Cb -0.06 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 34.95 3cnk s VAL 2580CO 0.09 0.31 0.36 -0.62 0.00 0.00 0.00 175.10 175.24 3cnk s ASP 2581N 1.55 6.14 -0.13 3.32 -1.08 0.13 -0.87 116.67 125.73 3cnk s ASP 2581Ca 0.03 -0.88 0.15 0.00 -0.52 0.00 0.00 52.55 51.33 3cnk s ASP 2581Cb -0.14 -2.18 0.56 0.00 -1.46 0.00 0.00 42.92 39.70 3cnk s ASP 2581CO -0.09 -0.52 1.48 0.00 0.52 0.00 0.00 175.17 176.55 3cnk h SER 2583N 2.70 0.20 -0.12 0.00 4.64 -1.73 -1.52 113.55 117.72 3cnk h SER 2583Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cnk h SER 2583Cb 1.34 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3cnk h SER 2583CO 0.20 0.14 0.00 0.29 -0.87 0.00 0.00 176.83 176.59 3cnk n LYS 2584N -4.49 2.02 -2.53 4.77 4.76 -1.26 -4.90 118.16 116.52 3cnk n LYS 2584Ca 0.02 -1.50 -0.15 0.00 -2.87 0.00 0.00 58.31 53.81 3cnk n LYS 2584Cb 0.17 -1.46 0.04 0.00 -1.84 0.00 0.00 35.03 31.94 3cnk n LYS 2584CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3cnk n ALA 2585N 0.77 0.83 -2.07 7.82 0.00 -0.57 -4.91 120.51 122.38 3cnk n ALA 2585Ca 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 53.44 52.11 3cnk n ALA 2585Cb 0.46 0.45 0.00 0.00 0.00 0.00 0.00 19.45 20.36 3cnk n ALA 2585CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cnk n GLY 2586N 0.05 2.16 2.61 0.00 0.00 -1.26 -5.00 105.19 103.75 3cnk n GLY 2586Ca 0.09 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 3cnk n GLY 2586CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cnk n ASN 2587N 0.00 7.56 -3.80 1.61 3.02 -1.26 -4.96 115.26 117.42 3cnk n ASN 2587Ca 0.00 -3.50 -0.13 0.00 -0.03 0.00 0.00 54.58 50.92 3cnk n ASN 2587Cb 0.00 -1.22 0.05 0.00 -0.61 0.00 0.00 39.78 38.00 3cnk n ASN 2587CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3cnk n ASN 2588N 0.51 1.22 -4.63 6.41 2.85 -1.26 -5.10 115.26 115.26 3cnk n ASN 2588Ca 0.53 -1.91 -0.35 0.00 -0.11 0.00 0.00 54.58 52.74 3cnk n ASN 2588Cb 0.27 -0.30 -0.10 0.00 1.24 0.00 0.00 39.78 40.89 3cnk n ASN 2588CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 3cnk s MET 2589N -3.77 3.74 -0.12 1.20 -2.45 -1.26 -4.91 119.30 111.72 3cnk s MET 2589Ca 0.39 -0.38 -0.14 0.00 -1.25 0.00 0.00 55.69 54.32 3cnk s MET 2589Cb -0.03 -3.09 -0.05 0.00 1.25 0.00 0.00 34.83 32.92 3cnk s MET 2589CO 0.25 0.36 0.32 -1.17 1.05 0.00 0.00 175.02 175.83 3cnk s LEU 2590N 0.09 4.31 -0.08 4.11 2.96 -1.26 -0.96 118.68 127.84 3cnk s LEU 2590Ca 0.04 0.62 0.03 0.00 -0.22 0.00 0.00 54.13 54.60 3cnk s LEU 2590Cb -0.13 -2.41 0.01 0.00 0.50 0.00 0.00 46.19 44.16 3cnk s LEU 2590CO 0.01 0.17 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.29 3cnk s LEU 2591N -0.01 1.81 -0.05 -0.68 2.01 0.14 -5.00 118.68 116.91 3cnk s LEU 2591Ca 0.19 -0.41 0.02 0.00 0.01 0.00 0.00 54.13 53.94 3cnk s LEU 2591Cb -0.14 -1.07 0.01 0.00 0.01 0.00 0.00 46.19 45.00 3cnk s LEU 2591CO 0.06 0.08 -0.10 -0.69 1.01 0.00 0.00 176.35 176.70 3cnk s VAL 2592N 0.59 0.95 0.01 -1.59 1.01 -1.26 -0.61 120.40 119.50 3cnk s VAL 2592Ca -0.15 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 3cnk s VAL 2592Cb -0.16 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.35 3cnk s VAL 2592CO 0.05 0.30 0.20 -0.83 0.00 0.00 0.00 175.10 174.82 3cnk s GLY 2593N 0.47 -0.01 -0.15 4.51 0.00 -0.46 -5.01 107.32 106.67 3cnk s GLY 2593Ca -0.09 -0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.58 3cnk s GLY 2593CO 0.02 -0.24 -0.21 0.14 0.00 0.00 0.00 173.10 172.81 3cnk s VAL 2594N -1.75 2.02 -0.30 1.40 1.01 -1.26 -0.48 120.40 121.04 3cnk s VAL 2594Ca -0.11 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 3cnk s VAL 2594Cb -0.05 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 3cnk s VAL 2594CO 0.01 0.54 0.14 -2.28 0.00 0.00 0.00 175.10 173.50 3cnk s HIS 2595N 0.99 3.17 -0.34 5.22 2.46 0.95 -4.35 115.29 123.38 3cnk s HIS 2595Ca -0.03 -0.61 -0.08 0.00 0.47 0.00 0.00 55.06 54.82 3cnk s HIS 2595Cb -0.15 -2.33 0.03 0.00 -0.13 0.00 0.00 32.58 30.01 3cnk s HIS 2595CO -0.06 -0.46 0.13 0.20 -2.47 0.00 0.00 174.74 172.08 3cnk s GLY 2596N 1.60 1.86 0.25 1.59 0.00 -1.26 -1.56 107.32 109.79 3cnk s GLY 2596Ca 0.04 -1.71 0.21 0.00 0.00 0.00 0.00 44.72 43.27 3cnk s GLY 2596CO 0.06 0.78 1.65 -1.55 0.00 0.00 0.00 173.10 174.04 3cnk n PRO 2597N 4.86 0.16 0.00 2.90 -0.04 -1.26 -3.76 135.00 137.86 3cnk n PRO 2597Ca -0.12 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3cnk n PRO 2597Cb 0.45 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 3cnk n PRO 2597CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3cnk n ARG 2598N -2.17 0.00 -2.81 0.54 1.74 -1.26 -4.98 116.66 107.72 3cnk n ARG 2598Ca 0.01 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.67 3cnk n ARG 2598Cb 0.16 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.57 3cnk n ARG 2598CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3cnk s THR 2599N 0.00 4.79 0.82 0.55 2.01 -1.26 -5.04 115.64 117.51 3cnk s THR 2599Ca 0.00 1.74 -0.11 0.00 0.31 0.00 0.00 61.69 63.62 3cnk s THR 2599Cb 0.00 -4.19 0.09 0.00 0.01 0.00 0.00 72.50 68.42 3cnk s THR 2599CO 0.00 -0.10 1.13 -2.84 -0.69 0.00 0.00 174.62 172.12 3cnk s PRO 2600N 2.90 1.71 0.16 4.92 0.02 -1.25 -4.36 135.00 139.10 3cnk s PRO 2600Ca 0.38 1.44 -0.34 0.00 0.02 0.00 0.00 61.00 62.50 3cnk s PRO 2600Cb -0.15 -1.81 -0.15 0.00 0.02 0.00 0.00 34.50 32.40 3cnk s PRO 2600CO 0.07 -2.10 1.39 0.00 -0.33 0.00 0.00 177.00 176.04 3cnk h GLU 2602N 4.63 0.36 -2.62 0.00 5.08 -1.38 -3.47 114.58 117.18 3cnk h GLU 2602Ca -0.45 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 57.64 3cnk h GLU 2602Cb 1.30 -0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.34 3cnk h GLU 2602CO 0.79 0.70 -0.11 -1.21 -1.00 0.00 0.00 179.01 178.17 3cnk s GLU 2603N -4.45 0.74 -0.04 2.33 2.02 -1.18 -4.98 118.70 113.14 3cnk s GLU 2603Ca -0.14 0.17 -0.03 0.00 0.02 0.00 0.00 54.97 54.99 3cnk s GLU 2603Cb 0.05 0.34 0.02 0.00 0.10 0.00 0.00 34.13 34.65 3cnk s GLU 2603CO 0.75 -0.19 0.11 -1.50 0.02 0.00 0.00 175.26 174.44 3cnk s ILE 2604N -0.84 -0.01 -0.09 -1.63 2.07 -1.26 -1.07 121.20 118.36 3cnk s ILE 2604Ca -0.09 0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.21 3cnk s ILE 2604Cb -0.03 -0.16 0.01 0.00 0.13 0.00 0.00 42.46 42.41 3cnk s ILE 2604CO 0.05 0.02 -0.16 -0.22 -1.91 0.00 0.00 174.94 172.72 3cnk s LEU 2605N 0.29 1.76 -0.18 8.50 2.96 0.62 -5.00 118.68 127.62 3cnk s LEU 2605Ca -0.02 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3cnk s LEU 2605Cb -0.03 -1.05 0.02 0.00 0.50 0.00 0.00 46.19 45.63 3cnk s LEU 2605CO -0.01 0.05 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.19 3cnk s VAL 2606N 0.75 2.17 -0.09 1.68 1.01 -1.26 -1.29 120.40 123.36 3cnk s VAL 2606Ca -0.12 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 60.99 3cnk s VAL 2606Cb -0.16 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.30 3cnk s VAL 2606CO 0.02 0.52 -0.21 -0.54 0.00 0.00 0.00 175.10 174.90 3cnk s LYS 2607N 1.30 2.75 -0.36 2.72 1.02 -0.36 -4.97 119.74 121.84 3cnk s LYS 2607Ca 0.05 -0.77 -0.28 0.00 0.02 0.00 0.00 55.97 54.98 3cnk s LYS 2607Cb -0.13 -2.11 0.02 0.00 -0.52 0.00 0.00 37.83 35.09 3cnk s LYS 2607CO -0.12 0.13 1.04 -1.58 -0.92 0.00 0.00 175.35 173.91 3cnk s HIS 2608N 0.44 3.07 -2.72 3.18 5.65 -1.26 -0.67 115.29 122.98 3cnk s HIS 2608Ca -0.17 0.99 0.24 0.00 0.25 0.00 0.00 55.06 56.37 3cnk s HIS 2608Cb -0.17 -3.81 0.43 0.00 -1.18 0.00 0.00 32.58 27.85 3cnk s HIS 2608CO 0.07 -0.87 1.40 1.33 -0.65 0.00 0.00 174.74 176.02 3cnk n VAL 2609N 6.07 0.15 0.00 0.89 0.24 -0.23 -4.98 118.33 120.47 3cnk n VAL 2609Ca 0.11 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3cnk n VAL 2609Cb 0.48 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 3cnk n VAL 2609CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cnk n GLY 2610N 1.35 3.45 2.41 7.63 0.00 -1.24 -4.97 105.19 113.82 3cnk n GLY 2610Ca 0.16 -1.71 -0.20 0.00 0.00 0.00 0.00 46.02 44.26 3cnk n GLY 2610CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cnk n SER 2611N 0.00 -5.84 -1.54 1.61 7.64 -1.26 -1.41 113.62 112.82 3cnk n SER 2611Ca 0.00 -0.01 -0.17 0.00 1.01 0.00 0.00 58.87 59.70 3cnk n SER 2611Cb 0.00 -4.86 -0.05 0.00 -1.01 0.00 0.00 64.21 58.28 3cnk n SER 2611CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3cnk n ARG 2612N -3.01 -1.26 -3.37 1.43 5.12 -1.26 -4.21 116.66 110.09 3cnk n ARG 2612Ca -0.24 1.02 -0.38 0.00 -1.93 0.00 0.00 57.85 56.32 3cnk n ARG 2612Cb 0.69 -5.33 -0.06 0.00 -1.16 0.00 0.00 32.46 26.59 3cnk n ARG 2612CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3cnk s LEU 2613N -4.28 4.30 -0.12 0.55 2.96 -0.50 -0.33 118.68 121.25 3cnk s LEU 2613Ca 0.00 0.79 0.01 0.00 -0.22 0.00 0.00 54.13 54.71 3cnk s LEU 2613Cb 0.00 -2.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.04 3cnk s LEU 2613CO 0.00 0.06 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.63 3cnk s TYR 2614N 0.38 2.77 -0.25 5.38 1.51 -0.05 -1.06 117.35 126.02 3cnk s TYR 2614Ca 0.24 -0.66 -0.08 0.00 -1.01 0.00 0.00 57.07 55.56 3cnk s TYR 2614Cb -0.15 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 3cnk s TYR 2614CO 0.10 -0.21 0.09 0.45 -1.11 0.00 0.00 175.55 174.87 3cnk s SER 2615N 0.27 5.34 -0.08 2.29 0.15 0.16 -0.90 113.70 120.93 3cnk s SER 2615Ca -0.10 -0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.40 3cnk s SER 2615Cb -0.16 -1.97 -0.03 0.00 -1.71 0.00 0.00 66.02 62.16 3cnk s SER 2615CO 0.06 -0.03 -0.09 -0.69 1.20 0.00 0.00 173.24 173.69 3cnk s VAL 2616N 1.59 3.51 -0.01 4.45 1.01 0.56 -1.23 120.40 130.27 3cnk s VAL 2616Ca 0.06 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.52 3cnk s VAL 2616Cb -0.15 -2.44 -0.00 0.00 0.00 0.00 0.00 36.38 33.79 3cnk s VAL 2616CO 0.05 0.58 -0.06 -0.44 0.00 0.00 0.00 175.10 175.23 3cnk s SER 2617N -0.52 0.75 0.08 3.32 0.01 -0.41 -1.32 113.70 115.60 3cnk s SER 2617Ca 0.08 -0.11 -0.01 0.00 1.31 0.00 0.00 55.95 57.21 3cnk s SER 2617Cb -0.12 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 3cnk s SER 2617CO 0.02 0.06 0.00 -0.72 0.41 0.00 0.00 173.24 173.01 3cnk s TYR 2618N -0.01 0.62 -0.07 2.43 1.13 -0.05 -0.28 117.35 121.12 3cnk s TYR 2618Ca 0.01 -1.11 0.00 0.00 -1.41 0.00 0.00 57.07 54.56 3cnk s TYR 2618Cb -0.04 -0.41 0.02 0.00 -1.10 0.00 0.00 41.96 40.43 3cnk s TYR 2618CO -0.00 -0.43 -0.06 -1.17 -2.51 0.00 0.00 175.55 171.38 3cnk s LEU 2619N -2.96 1.22 0.12 -3.49 2.96 -0.23 -0.84 118.68 115.45 3cnk s LEU 2619Ca 0.13 -0.21 0.11 0.00 -0.22 0.00 0.00 54.13 53.94 3cnk s LEU 2619Cb 0.08 -0.64 -0.04 0.00 0.50 0.00 0.00 46.19 46.09 3cnk s LEU 2619CO -0.06 -0.08 -0.26 -0.76 -1.32 0.00 0.00 176.35 173.86 3cnk s LEU 2620N 1.29 2.32 -0.01 -0.68 1.43 -1.26 -0.89 118.68 120.87 3cnk s LEU 2620Ca -0.04 -0.72 0.12 0.00 -1.03 0.00 0.00 54.13 52.46 3cnk s LEU 2620Cb -0.14 -1.25 -0.17 0.00 0.03 0.00 0.00 46.19 44.67 3cnk s LEU 2620CO -0.02 0.19 0.32 1.17 0.23 0.00 0.00 176.35 178.23 3cnk n LYS 2621N 1.01 1.06 -3.95 1.70 4.81 -1.26 -1.57 118.16 119.96 3cnk n LYS 2621Ca -0.18 -0.08 -0.12 0.00 -0.87 0.00 0.00 58.31 57.06 3cnk n LYS 2621Cb 0.53 -1.22 -0.13 0.00 0.02 0.00 0.00 35.03 34.22 3cnk n LYS 2621CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3cnk s ASP 2622N -3.05 0.19 0.67 3.14 1.01 -1.26 -4.80 116.67 112.57 3cnk s ASP 2622Ca -0.02 -0.13 -0.16 0.00 0.71 0.00 0.00 52.55 52.95 3cnk s ASP 2622Cb 0.08 0.01 0.01 0.00 1.01 0.00 0.00 42.92 44.02 3cnk s ASP 2622CO 0.49 -0.05 1.16 -1.59 0.21 0.00 0.00 175.17 175.39 3cnk s LYS 2623N -0.35 2.59 0.00 8.23 -2.85 -1.26 -4.86 119.74 121.24 3cnk s LYS 2623Ca -0.03 1.61 0.00 0.00 -1.00 0.00 0.00 55.97 56.55 3cnk s LYS 2623Cb -0.03 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 3cnk s LYS 2623CO -0.00 -1.45 0.00 0.41 0.10 0.00 0.00 175.35 174.40 3cnk n GLY 2624N 0.02 0.89 3.76 0.59 0.00 -0.26 -4.96 105.19 105.23 3cnk n GLY 2624Ca 0.12 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 3cnk n GLY 2624CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cnk s GLU 2625N -1.35 4.11 0.28 1.61 2.12 -1.26 -1.32 118.70 122.89 3cnk s GLU 2625Ca 0.00 0.17 0.12 0.00 0.36 0.00 0.00 54.97 55.61 3cnk s GLU 2625Cb 0.00 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 3cnk s GLU 2625CO 0.00 0.38 -0.20 0.71 -0.54 0.00 0.00 175.26 175.61 3cnk s TYR 2626N 0.02 2.29 -0.19 5.30 1.51 0.54 -4.73 117.35 122.09 3cnk s TYR 2626Ca 0.19 -0.33 -0.01 0.00 -1.01 0.00 0.00 57.07 55.90 3cnk s TYR 2626Cb -0.14 -1.00 0.00 0.00 -0.11 0.00 0.00 41.96 40.72 3cnk s TYR 2626CO 0.06 0.71 -0.12 0.99 -1.11 0.00 0.00 175.55 176.08 3cnk s THR 2627N -2.48 2.73 -0.26 -0.71 2.01 -0.60 -1.31 115.64 115.02 3cnk s THR 2627Ca 0.30 -0.72 -0.11 0.00 0.31 0.00 0.00 61.69 61.47 3cnk s THR 2627Cb -0.05 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 3cnk s THR 2627CO 0.15 0.49 0.18 -0.22 -0.69 0.00 0.00 174.62 174.52 3cnk s LEU 2628N 1.30 4.08 -0.13 4.42 2.96 0.01 -0.04 118.68 131.28 3cnk s LEU 2628Ca 0.04 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.02 3cnk s LEU 2628Cb -0.14 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 3cnk s LEU 2628CO -0.07 0.02 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.15 3cnk s VAL 2629N 1.35 2.93 -0.17 1.68 1.01 0.37 -0.36 120.40 127.20 3cnk s VAL 2629Ca 0.07 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 3cnk s VAL 2629Cb -0.15 -2.22 0.04 0.00 0.00 0.00 0.00 36.38 34.06 3cnk s VAL 2629CO 0.07 0.53 -0.05 -0.69 0.00 0.00 0.00 175.10 174.95 3cnk s VAL 2630N 0.39 1.14 -0.04 2.92 1.01 -1.26 -1.35 120.40 123.22 3cnk s VAL 2630Ca -0.11 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.25 3cnk s VAL 2630Cb -0.16 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 3cnk s VAL 2630CO 0.06 0.11 -0.23 -0.54 0.00 0.00 0.00 175.10 174.49 3cnk s LYS 2631N 1.61 2.31 -0.18 2.72 1.02 0.22 -1.89 119.74 125.55 3cnk s LYS 2631Ca 0.00 -0.87 0.01 0.00 0.02 0.00 0.00 55.97 55.13 3cnk s LYS 2631Cb -0.16 -2.15 0.03 0.00 -0.52 0.00 0.00 37.83 35.04 3cnk s LYS 2631CO -0.08 0.53 -0.16 -0.46 -0.92 0.00 0.00 175.35 174.26 3cnk s TRP 2632N -0.51 2.60 -1.43 3.18 -0.11 0.30 -0.68 118.94 122.29 3cnk s TRP 2632Ca 0.07 -1.60 -0.07 0.00 1.22 0.00 0.00 56.10 55.72 3cnk s TRP 2632Cb -0.11 -1.78 0.04 0.00 -1.50 0.00 0.00 33.47 30.12 3cnk s TRP 2632CO 0.00 -0.77 0.86 0.41 -4.62 0.00 0.00 176.95 172.84 3cnk n GLY 2633N 4.65 -0.40 2.99 5.86 0.00 -0.14 -2.56 105.19 115.59 3cnk n GLY 2633Ca -0.18 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3cnk n GLY 2633CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3cnk n HIS 2634N -4.52 0.00 -4.78 1.61 8.25 -1.26 -4.97 115.22 109.55 3cnk n HIS 2634Ca -0.11 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.03 3cnk n HIS 2634Cb 0.60 -0.99 -0.13 0.00 1.12 0.00 0.00 29.99 30.59 3cnk n HIS 2634CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3cnk s GLU 2635N -0.87 2.40 0.22 -0.41 0.41 -1.06 -5.03 118.70 114.36 3cnk s GLU 2635Ca 0.00 -0.77 -0.31 0.00 -0.41 0.00 0.00 54.97 53.48 3cnk s GLU 2635Cb 0.00 -2.35 -0.10 0.00 -1.78 0.00 0.00 34.13 29.90 3cnk s GLU 2635CO 0.00 0.60 1.54 -1.01 -0.49 0.00 0.00 175.26 175.90 3cnk s HIS 2636N -0.81 2.99 0.80 1.61 3.76 -1.26 -0.54 115.29 121.83 3cnk s HIS 2636Ca 0.13 0.77 -0.11 0.00 -0.15 0.00 0.00 55.06 55.70 3cnk s HIS 2636Cb -0.11 -3.93 0.07 0.00 1.11 0.00 0.00 32.58 29.73 3cnk s HIS 2636CO 0.03 -3.25 1.09 0.96 -0.85 0.00 0.00 174.74 172.71 3cnk s ILE 2637N 0.56 3.17 0.12 0.60 -4.36 -0.79 -4.85 121.20 115.65 3cnk s ILE 2637Ca 0.66 0.38 -0.34 0.00 -0.26 0.00 0.00 60.65 61.09 3cnk s ILE 2637Cb -0.44 -2.90 -0.13 0.00 1.25 0.00 0.00 42.46 40.24 3cnk s ILE 2637CO 0.38 -0.50 1.64 -2.65 0.24 0.00 0.00 174.94 174.05 3cnk n PRO 2638N -3.60 2.20 0.00 0.37 -0.02 -1.26 -1.18 135.00 131.51 3cnk n PRO 2638Ca 0.08 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3cnk n PRO 2638Cb 0.54 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3cnk n PRO 2638CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cnk n GLY 2639N 3.61 2.86 3.78 -1.23 0.00 -1.26 -4.75 105.19 108.19 3cnk n GLY 2639Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3cnk n GLY 2639CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cnk s SER 2640N -0.29 7.38 0.31 1.61 0.15 -0.33 -3.60 113.70 118.94 3cnk s SER 2640Ca 0.00 1.66 -0.27 0.00 0.70 0.00 0.00 55.95 58.03 3cnk s SER 2640Cb 0.00 -2.50 -0.09 0.00 -1.71 0.00 0.00 66.02 61.71 3cnk s SER 2640CO 0.00 0.18 1.00 -2.16 1.20 0.00 0.00 173.24 173.46 3cnk s PRO 2641N -1.25 4.57 -0.07 5.44 0.04 -1.26 -4.71 135.00 137.76 3cnk s PRO 2641Ca 0.37 1.50 -0.06 0.00 0.04 0.00 0.00 61.00 62.85 3cnk s PRO 2641Cb -0.23 -2.94 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 3cnk s PRO 2641CO 0.26 0.23 0.17 0.71 0.04 0.00 0.00 177.00 178.42 3cnk s TYR 2642N -1.43 3.59 -0.22 0.56 1.51 0.52 -4.94 117.35 116.93 3cnk s TYR 2642Ca 0.48 0.49 -0.20 0.00 -1.01 0.00 0.00 57.07 56.83 3cnk s TYR 2642Cb -0.24 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 39.67 3cnk s TYR 2642CO 0.30 0.70 0.61 1.03 -1.11 0.00 0.00 175.55 177.08 3cnk s ARG 2643N -1.37 4.17 -0.17 -0.62 0.52 -1.26 -0.81 118.95 119.40 3cnk s ARG 2643Ca 0.20 0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 55.95 3cnk s ARG 2643Cb -0.12 -3.60 -0.01 0.00 0.52 0.00 0.00 34.95 31.73 3cnk s ARG 2643CO 0.10 -0.29 -0.10 0.08 0.02 0.00 0.00 175.30 175.10 3cnk s VAL 2644N 2.10 3.10 -0.18 3.52 1.01 -0.43 -4.49 120.40 125.02 3cnk s VAL 2644Ca 0.27 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 3cnk s VAL 2644Cb -0.16 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3cnk s VAL 2644CO 0.10 0.49 -0.01 -0.69 0.00 0.00 0.00 175.10 174.98 3cnk s VAL 2645N 0.83 3.94 -0.20 2.92 1.01 -1.03 -0.34 120.40 127.53 3cnk s VAL 2645Ca -0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 3cnk s VAL 2645Cb -0.15 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 3cnk s VAL 2645CO 0.01 0.45 -0.07 -0.69 0.00 0.00 0.00 175.10 174.80 3cnk s VAL 2646N 0.75 3.26 -2.00 2.92 1.01 -0.43 -3.02 120.40 122.89 3cnk s VAL 2646Ca -0.00 -0.54 0.30 0.00 0.00 0.00 0.00 61.98 61.73 3cnk s VAL 2646Cb -0.14 -2.46 0.84 0.00 0.00 0.00 0.00 36.38 34.62 3cnk s VAL 2646CO 0.02 0.45 2.11 -0.81 0.00 0.00 0.00 175.10 176.87