#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ckc s ASP 2564N 0.00 5.02 0.63 -1.43 2.15 -1.26 -4.99 116.67 116.79 2ckc s ASP 2564Ca 0.00 -0.15 0.27 0.00 0.43 0.00 0.00 52.55 53.10 2ckc s ASP 2564Cb 0.00 -1.21 1.40 0.00 -0.30 0.00 0.00 42.92 42.81 2ckc s ASP 2564CO 0.00 0.19 1.81 -0.65 -0.17 0.00 0.00 175.17 176.35 2ckc h PRO 2565N 3.61 0.00 0.00 4.34 0.11 -1.99 0.40 132.00 138.47 2ckc h PRO 2565Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2ckc h PRO 2565Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2ckc h PRO 2565CO 0.59 0.00 -0.61 0.22 -0.21 0.00 0.00 178.00 178.00 2ckc h ASP 2566N 0.00 0.00 -3.94 -2.05 3.58 -1.97 -3.26 116.42 108.79 2ckc h ASP 2566Ca 0.13 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 57.06 2ckc h ASP 2566Cb 1.14 0.00 0.07 0.00 1.72 0.00 0.00 39.33 42.26 2ckc h ASP 2566CO -0.00 0.14 0.57 -0.89 -2.88 0.00 0.00 179.24 176.17 2ckc s THR 2567N -3.20 2.83 0.23 2.25 2.01 0.13 -4.79 115.64 115.10 2ckc s THR 2567Ca 0.03 0.73 -0.08 0.00 0.31 0.00 0.00 61.69 62.68 2ckc s THR 2567Cb 0.07 -3.43 -0.06 0.00 0.01 0.00 0.00 72.50 69.09 2ckc s THR 2567CO 0.74 0.10 0.52 -0.13 -0.69 0.00 0.00 174.62 175.17 2ckc s ARG 2568N -2.22 3.73 -0.38 4.92 1.81 -1.26 -0.00 118.95 125.55 2ckc s ARG 2568Ca 0.56 0.15 0.02 0.00 -1.72 0.00 0.00 55.73 54.74 2ckc s ARG 2568Cb -0.35 -2.68 0.11 0.00 -0.45 0.00 0.00 34.95 31.58 2ckc s ARG 2568CO 0.45 0.31 0.11 0.42 -0.68 0.00 0.00 175.30 175.92 2ckc s ILE 2569N -1.86 2.60 -0.33 1.52 -1.09 0.29 -4.80 121.20 117.52 2ckc s ILE 2569Ca 0.46 -2.35 -0.28 0.00 -2.23 0.00 0.00 60.65 56.24 2ckc s ILE 2569Cb -0.11 -2.86 -0.02 0.00 -1.58 0.00 0.00 42.46 37.89 2ckc s ILE 2569CO 0.24 -0.64 1.76 -2.84 -1.23 0.00 0.00 174.94 172.22 2ckc s PRO 2570N 0.86 3.38 0.30 2.79 0.02 -1.26 -3.92 135.00 137.17 2ckc s PRO 2570Ca 0.11 1.40 0.03 0.00 0.02 0.00 0.00 61.00 62.56 2ckc s PRO 2570Cb -0.20 -4.17 -0.06 0.00 0.02 0.00 0.00 34.50 30.08 2ckc s PRO 2570CO -0.06 -1.80 0.07 0.14 -0.33 0.00 0.00 177.00 175.02 2ckc s VAL 2571N 6.66 0.93 -0.05 3.83 -7.23 -0.67 -1.32 120.40 122.55 2ckc s VAL 2571Ca 0.78 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.89 2ckc s VAL 2571Cb -0.22 -2.72 0.01 0.00 0.56 0.00 0.00 36.38 34.01 2ckc s VAL 2571CO 0.34 -0.01 0.15 -0.51 -0.31 0.00 0.00 175.10 174.75 2ckc s ILE 2572N -3.49 0.01 -0.18 -0.62 2.07 -0.48 -0.51 121.20 118.01 2ckc s ILE 2572Ca 0.37 -0.09 -0.20 0.00 -1.41 0.00 0.00 60.65 59.32 2ckc s ILE 2572Cb 0.08 -0.24 -0.03 0.00 0.13 0.00 0.00 42.46 42.40 2ckc s ILE 2572CO 0.15 -0.05 0.59 0.21 -1.91 0.00 0.00 174.94 173.93 2ckc s ASN 2573N -0.11 6.68 0.13 4.50 3.84 0.92 -0.50 114.94 130.40 2ckc s ASN 2573Ca -0.02 0.82 0.26 0.00 0.21 0.00 0.00 52.86 54.13 2ckc s ASN 2573Cb -0.02 -2.33 0.65 0.00 -0.55 0.00 0.00 41.25 39.00 2ckc s ASN 2573CO 0.00 -0.21 1.59 0.18 -2.79 0.00 0.00 177.10 175.87 2ckc n LEU 2574N 4.74 0.65 0.05 3.21 4.77 -0.20 -0.45 117.00 129.77 2ckc n LEU 2574Ca -0.03 0.38 -0.18 0.00 -0.03 0.00 0.00 56.01 56.16 2ckc n LEU 2574Cb 0.50 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.23 2ckc n LEU 2574CO 0.44 -0.09 0.12 1.05 -1.33 0.00 0.00 177.39 177.58 2ckc h GLU 2575N 0.00 0.61 0.00 3.23 4.11 -1.93 -3.39 114.58 117.21 2ckc h GLU 2575Ca 0.00 -0.65 -0.38 0.00 0.07 0.00 0.00 59.36 58.39 2ckc h GLU 2575Cb 0.69 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.07 2ckc h GLU 2575CO 0.00 1.26 -2.26 -0.25 0.07 0.00 0.00 179.01 177.82 2ckc n ASP 2576N -3.82 1.66 0.00 3.06 8.00 -1.24 -5.02 116.55 119.19 2ckc n ASP 2576Ca -0.10 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.69 2ckc n ASP 2576Cb 0.86 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 2ckc n ASP 2576CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ckc n GLY 2577N 1.53 1.02 3.72 0.44 0.00 0.40 -5.08 105.19 107.22 2ckc n GLY 2577Ca -0.45 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 2ckc n GLY 2577CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ckc n THR 2578N -0.14 0.49 -4.00 2.61 -1.04 -1.21 -4.75 114.28 106.24 2ckc n THR 2578Ca 0.00 -0.12 -0.23 0.00 -2.04 0.00 0.00 64.05 61.66 2ckc n THR 2578Cb 0.00 -1.87 -0.17 0.00 -1.82 0.00 0.00 70.33 66.47 2ckc n THR 2578CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2ckc s ARG 2579N 0.33 0.97 -0.27 -2.82 3.52 -1.26 -0.06 118.95 119.36 2ckc s ARG 2579Ca 0.71 -0.09 0.02 0.00 -0.13 0.00 0.00 55.73 56.24 2ckc s ARG 2579Cb -0.54 -1.09 0.07 0.00 -1.56 0.00 0.00 34.95 31.84 2ckc s ARG 2579CO 0.41 -0.19 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.17 2ckc s LEU 2580N 1.44 3.27 0.19 -0.88 2.01 0.34 -5.00 118.68 120.05 2ckc s LEU 2580Ca -0.02 -1.51 0.07 0.00 0.01 0.00 0.00 54.13 52.67 2ckc s LEU 2580Cb -0.13 -1.34 -0.05 0.00 0.01 0.00 0.00 46.19 44.68 2ckc s LEU 2580CO -0.03 -0.28 -0.13 0.68 1.01 0.00 0.00 176.35 177.59 2ckc s VAL 2581N 1.23 1.61 0.00 -1.59 -7.23 -1.26 -1.67 120.40 111.49 2ckc s VAL 2581Ca -0.01 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 2ckc s VAL 2581Cb -0.19 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.76 2ckc s VAL 2581CO -0.08 -0.63 0.00 0.61 -0.31 0.00 0.00 175.10 174.69 2ckc n GLY 2582N -0.32 1.08 0.26 2.32 0.00 -1.26 -2.81 105.19 104.46 2ckc n GLY 2582Ca -0.09 -0.77 0.16 0.00 0.00 0.00 0.00 46.02 45.32 2ckc n GLY 2582CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ckc h GLU 2583N 0.00 0.00 0.00 1.61 4.39 -2.00 -1.81 114.58 116.78 2ckc h GLU 2583Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ckc h GLU 2583Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2ckc h GLU 2583CO 0.00 0.00 -0.02 -0.44 -1.16 0.00 0.00 179.01 177.39 2ckc h ASP 2584N 0.00 0.00 -4.06 1.42 5.19 -1.88 -3.44 116.42 113.65 2ckc h ASP 2584Ca 0.00 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 55.94 2ckc h ASP 2584Cb 0.62 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.16 2ckc h ASP 2584CO 0.00 0.02 0.39 0.00 -3.12 0.00 0.00 179.24 176.53 2ckc s ALA 2585N -3.76 2.91 0.43 3.45 0.00 -0.68 -4.59 121.76 119.51 2ckc s ALA 2585Ca 0.00 0.62 -0.25 0.00 0.00 0.00 0.00 51.96 52.33 2ckc s ALA 2585Cb 0.10 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 2ckc s ALA 2585CO 0.53 -0.28 1.28 -1.25 0.00 0.00 0.00 175.76 176.04 2ckc s PRO 2586N -3.12 3.86 0.63 0.00 0.04 -1.25 -4.71 135.00 130.44 2ckc s PRO 2586Ca 0.66 2.10 -0.15 0.00 0.04 0.00 0.00 61.00 63.65 2ckc s PRO 2586Cb -0.17 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 2ckc s PRO 2586CO 0.21 -0.56 1.07 0.15 0.04 0.00 0.00 177.00 177.91 2ckc s LYS 2587N -2.37 3.11 0.36 4.56 1.02 -1.26 -0.55 119.74 124.61 2ckc s LYS 2587Ca 0.59 1.23 0.12 0.00 0.02 0.00 0.00 55.97 57.93 2ckc s LYS 2587Cb -0.37 -2.00 0.94 0.00 -0.52 0.00 0.00 37.83 35.88 2ckc s LYS 2587CO 0.46 -0.98 1.79 -0.97 -0.92 0.00 0.00 175.35 174.73 2ckc h ASN 2588N 0.17 0.59 -0.07 2.83 -0.00 -0.47 -0.18 115.58 118.44 2ckc h ASN 2588Ca -0.46 0.08 -0.14 0.00 -0.00 0.00 0.00 56.30 55.78 2ckc h ASN 2588Cb 1.23 -0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 39.52 2ckc h ASN 2588CO 0.56 0.18 -0.42 0.07 -0.00 0.00 0.00 177.43 177.82 2ckc h LYS 2589N 0.56 0.61 -0.00 6.67 2.10 -1.83 -3.06 116.57 121.62 2ckc h LYS 2589Ca 0.57 -0.32 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 2ckc h LYS 2589Cb 1.17 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2ckc h LYS 2589CO -0.32 0.92 -0.38 -0.25 -2.00 0.00 0.00 179.45 177.42 2ckc n ASP 2590N -4.02 0.38 -0.16 7.07 8.00 -0.23 -4.25 116.55 123.34 2ckc n ASP 2590Ca -0.02 -0.07 -0.04 0.00 0.71 0.00 0.00 54.79 55.37 2ckc n ASP 2590Cb 0.53 0.07 0.03 0.00 -0.02 0.00 0.00 41.12 41.73 2ckc n ASP 2590CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2ckc h LEU 2591N 0.00 -0.62 -1.39 0.64 5.85 -1.03 0.01 115.31 118.77 2ckc h LEU 2591Ca 0.00 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.93 2ckc h LEU 2591Cb 0.50 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 2ckc h LEU 2591CO 0.00 -0.21 0.45 -0.37 -0.34 0.00 0.00 178.44 177.97 2ckc h VAL 2592N -0.06 1.07 -0.12 1.05 -1.51 -1.78 0.15 116.25 115.05 2ckc h VAL 2592Ca 0.23 -0.27 -0.20 0.00 -1.23 0.00 0.00 66.70 65.24 2ckc h VAL 2592Cb 0.42 0.22 0.01 0.00 -2.13 0.00 0.00 31.29 29.82 2ckc h VAL 2592CO -0.54 0.14 -0.69 -0.33 -1.23 0.00 0.00 177.57 174.92 2ckc h GLU 2593N 0.78 0.68 -0.77 5.19 4.39 -1.47 -2.29 114.58 121.10 2ckc h GLU 2593Ca 0.28 -0.57 -0.06 0.00 0.34 0.00 0.00 59.36 59.35 2ckc h GLU 2593Cb 0.14 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 2ckc h GLU 2593CO -0.08 1.19 0.26 2.35 -1.16 0.00 0.00 179.01 181.57 2ckc h TRP 2594N 0.36 1.21 -0.40 4.33 7.01 -0.23 -2.69 115.95 125.55 2ckc h TRP 2594Ca -0.05 -0.11 -0.06 0.00 2.11 0.00 0.00 58.89 60.77 2ckc h TRP 2594Cb 1.34 -0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 28.02 2ckc h TRP 2594CO 0.10 0.94 -0.01 -0.07 -2.79 0.00 0.00 178.44 176.61 2ckc h LEU 2595N 1.13 0.60 -0.49 0.65 4.07 -0.68 0.10 115.31 120.70 2ckc h LEU 2595Ca 0.25 -0.13 -0.15 0.00 0.08 0.00 0.00 57.88 57.93 2ckc h LEU 2595Cb 0.28 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 2ckc h LEU 2595CO -0.01 0.68 -0.41 0.07 -1.08 0.00 0.00 178.44 177.69 2ckc h LYS 2596N 0.60 0.79 -0.23 1.13 2.10 -1.10 -2.93 116.57 116.93 2ckc h LYS 2596Ca 0.12 -0.42 -0.14 0.00 -2.00 0.00 0.00 60.65 58.22 2ckc h LYS 2596Cb 0.40 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 2ckc h LYS 2596CO 0.02 1.05 -0.42 -0.07 -2.00 0.00 0.00 179.45 178.02 2ckc h LEU 2597N 0.64 0.60 -6.99 7.07 -0.00 -1.19 -3.39 115.31 112.04 2ckc h LEU 2597Ca 0.05 -0.27 -0.62 0.00 -0.00 0.00 0.00 57.88 57.04 2ckc h LEU 2597Cb 0.98 -0.17 -0.41 0.00 -0.00 0.00 0.00 40.66 41.05 2ckc h LEU 2597CO 0.09 0.95 -0.63 -1.00 -0.00 0.00 0.00 178.44 177.85 2ckc s HIS 2598N -4.21 3.20 -1.61 1.13 3.76 0.33 -4.87 115.29 113.02 2ckc s HIS 2598Ca -0.07 -3.19 0.25 0.00 -0.15 0.00 0.00 55.06 51.90 2ckc s HIS 2598Cb 0.12 -2.45 1.34 0.00 1.11 0.00 0.00 32.58 32.70 2ckc s HIS 2598CO 0.83 -0.59 1.85 -0.35 -0.85 0.00 0.00 174.74 175.63 2ckc n PRO 2599N 2.13 0.49 -0.13 8.40 -0.04 -1.17 -2.72 135.00 141.96 2ckc n PRO 2599Ca 0.21 0.04 0.10 0.00 -0.04 0.00 0.00 63.50 63.81 2ckc n PRO 2599Cb 0.37 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.63 2ckc n PRO 2599CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2ckc n THR 2600N -1.20 0.34 -2.40 0.52 -2.24 -1.26 -4.95 114.28 103.09 2ckc n THR 2600Ca 0.14 -0.48 -0.24 0.00 -2.27 0.00 0.00 64.05 61.20 2ckc n THR 2600Cb 0.16 0.50 0.08 0.00 -2.10 0.00 0.00 70.33 68.98 2ckc n THR 2600CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2ckc s TYR 2601N -1.66 2.37 0.17 4.78 1.13 -1.10 -1.03 117.35 122.01 2ckc s TYR 2601Ca 0.33 0.10 -0.10 0.00 -1.41 0.00 0.00 57.07 55.99 2ckc s TYR 2601Cb 0.18 -3.12 -0.00 0.00 -1.10 0.00 0.00 41.96 37.92 2ckc s TYR 2601CO 0.26 -1.49 0.31 -0.08 -2.51 0.00 0.00 175.55 172.05 2ckc s THR 2602N -3.16 0.06 -0.06 -3.49 -1.32 0.35 -4.78 115.64 103.24 2ckc s THR 2602Ca 0.63 -1.33 -0.20 0.00 -1.21 0.00 0.00 61.69 59.57 2ckc s THR 2602Cb -0.08 -1.83 -0.05 0.00 -1.51 0.00 0.00 72.50 69.03 2ckc s THR 2602CO 0.44 -0.26 0.58 -0.69 -2.21 0.00 0.00 174.62 172.48 2ckc s VAL 2603N -3.96 5.04 -0.13 5.08 1.01 -1.26 -1.38 120.40 124.79 2ckc s VAL 2603Ca 0.17 1.20 -0.10 0.00 0.00 0.00 0.00 61.98 63.25 2ckc s VAL 2603Cb 0.03 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.41 2ckc s VAL 2603CO 0.00 0.35 0.11 -0.78 0.00 0.00 0.00 175.10 174.78 2ckc h ASP 2604N 6.28 0.00 -3.54 3.32 3.58 -1.49 -3.43 116.42 121.15 2ckc h ASP 2604Ca -0.43 -0.23 -0.70 0.00 0.42 0.00 0.00 57.03 56.09 2ckc h ASP 2604Cb 1.19 0.00 -0.34 0.00 1.72 0.00 0.00 39.33 41.91 2ckc h ASP 2604CO 0.73 0.77 -0.49 -0.32 -2.88 0.00 0.00 179.24 177.05 2ckc s MET 2605N -1.95 2.17 0.08 0.28 1.75 -0.71 -4.93 119.30 115.98 2ckc s MET 2605Ca -0.11 -1.91 -0.01 0.00 -1.25 0.00 0.00 55.69 52.42 2ckc s MET 2605Cb 0.01 -3.67 -0.26 0.00 2.84 0.00 0.00 34.83 33.74 2ckc s MET 2605CO 0.25 -1.11 1.14 -1.35 -0.65 0.00 0.00 175.02 173.30 2ckc h PRO 2606N 7.99 0.20 -2.47 4.11 0.11 -1.86 -3.42 132.00 136.66 2ckc h PRO 2606Ca -0.13 -0.34 0.06 0.00 0.11 0.00 0.00 66.00 65.71 2ckc h PRO 2606Cb 1.04 0.13 -0.15 0.00 0.11 0.00 0.00 31.00 32.13 2ckc h PRO 2606CO 0.73 1.14 0.40 0.45 -0.21 0.00 0.00 178.00 180.51 2ckc s SER 2607N -7.00 -0.44 0.20 -2.05 0.15 -1.26 -5.16 113.70 98.14 2ckc s SER 2607Ca -0.03 0.04 -0.22 0.00 0.70 0.00 0.00 55.95 56.44 2ckc s SER 2607Cb 0.08 0.45 0.08 0.00 -1.71 0.00 0.00 66.02 64.92 2ckc s SER 2607CO 0.86 -0.72 1.02 -0.72 1.20 0.00 0.00 173.24 174.89 2ckc s TYR 2608N -3.18 0.08 -0.31 3.44 1.13 -1.26 -5.11 117.35 112.15 2ckc s TYR 2608Ca 0.03 -0.51 -0.29 0.00 -1.41 0.00 0.00 57.07 54.89 2ckc s TYR 2608Cb -0.01 0.71 0.01 0.00 -1.10 0.00 0.00 41.96 41.58 2ckc s TYR 2608CO -0.09 -0.97 1.14 0.54 -2.51 0.00 0.00 175.55 173.66 2ckc s VAL 2609N -2.13 4.40 -0.43 -3.49 0.11 -1.26 -4.93 120.40 112.67 2ckc s VAL 2609Ca 0.22 1.61 -0.29 0.00 -2.93 0.00 0.00 61.98 60.59 2ckc s VAL 2609Cb -0.03 -4.33 -0.09 0.00 -1.53 0.00 0.00 36.38 30.40 2ckc s VAL 2609CO 0.06 -0.46 2.34 -2.65 -3.33 0.00 0.00 175.10 171.05 2ckc n PRO 2610N 6.98 1.22 -3.84 1.54 -0.02 -1.26 -4.92 135.00 134.69 2ckc n PRO 2610Ca 0.13 0.22 -0.36 0.00 -2.02 0.00 0.00 63.50 61.47 2ckc n PRO 2610Cb 0.47 -2.98 -0.12 0.00 -0.02 0.00 0.00 33.50 30.85 2ckc n PRO 2610CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2ckc s LYS 2611N 7.32 3.74 0.10 -0.52 1.02 -1.26 -4.94 119.74 125.21 2ckc s LYS 2611Ca 1.05 -0.44 -0.06 0.00 0.02 0.00 0.00 55.97 56.55 2ckc s LYS 2611Cb -0.48 -3.30 -0.17 0.00 -0.52 0.00 0.00 37.83 33.36 2ckc s LYS 2611CO 0.36 -0.06 1.23 -0.91 -0.92 0.00 0.00 175.35 175.05 2ckc h ASN 2612N 7.83 0.54 -3.91 2.83 -0.26 -2.06 -3.32 115.58 117.23 2ckc h ASN 2612Ca -0.37 -0.48 -0.70 0.00 -0.56 0.00 0.00 56.30 54.19 2ckc h ASN 2612Cb 1.18 -0.17 -0.36 0.00 -1.06 0.00 0.00 38.32 37.91 2ckc h ASN 2612CO 0.60 1.31 -0.30 0.00 -1.06 0.00 0.00 177.43 177.99 2ckc s ALA 2613N -3.05 3.78 -0.78 -0.83 0.00 -1.26 -4.93 121.76 114.69 2ckc s ALA 2613Ca -0.06 -3.46 0.07 0.00 0.00 0.00 0.00 51.96 48.52 2ckc s ALA 2613Cb 0.08 -2.69 0.40 0.00 0.00 0.00 0.00 23.12 20.91 2ckc s ALA 2613CO 0.88 -2.13 1.14 -0.40 0.00 0.00 0.00 175.76 175.26 2ckc n ASP 2614N 3.09 3.23 -2.42 0.00 5.75 -1.25 -4.93 116.55 120.01 2ckc n ASP 2614Ca 0.12 -2.41 -0.00 0.00 -0.01 0.00 0.00 54.79 52.49 2ckc n ASP 2614Cb 0.37 -0.56 -0.00 0.00 -1.03 0.00 0.00 41.12 39.91 2ckc n ASP 2614CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2ckc n VAL 2615N 0.35 -9.71 -2.60 2.12 0.31 -1.26 -4.89 118.33 102.64 2ckc n VAL 2615Ca 0.14 1.44 -0.41 0.00 -0.01 0.00 0.00 64.34 65.50 2ckc n VAL 2615Cb 0.68 -6.23 -0.03 0.00 -0.91 0.00 0.00 33.84 27.35 2ckc n VAL 2615CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2ckc s LEU 2616N -1.22 3.47 0.10 7.52 2.01 -1.26 -4.74 118.68 124.56 2ckc s LEU 2616Ca -0.01 -0.89 0.01 0.00 0.01 0.00 0.00 54.13 53.25 2ckc s LEU 2616Cb 0.00 -2.54 -0.23 0.00 0.01 0.00 0.00 46.19 43.43 2ckc s LEU 2616CO 0.60 -1.66 1.22 0.15 1.01 0.00 0.00 176.35 177.66 2ckc h PHE 2617N 9.86 0.28 -3.09 0.29 3.04 -2.05 -3.38 116.94 121.90 2ckc h PHE 2617Ca -0.11 -0.20 -0.74 0.00 3.98 0.00 0.00 57.97 60.91 2ckc h PHE 2617Cb 1.04 -0.01 -0.22 0.00 2.56 0.00 0.00 35.95 39.31 2ckc h PHE 2617CO 1.17 1.14 -0.14 -1.12 -2.02 0.00 0.00 178.31 177.34 2ckc s SER 2618N -6.96 6.18 -0.73 0.41 0.01 -1.26 -5.01 113.70 106.35 2ckc s SER 2618Ca -0.02 -1.58 -0.27 0.00 1.31 0.00 0.00 55.95 55.40 2ckc s SER 2618Cb 0.08 -2.23 0.02 0.00 0.21 0.00 0.00 66.02 64.10 2ckc s SER 2618CO 0.85 -0.89 1.44 -0.44 0.41 0.00 0.00 173.24 174.61 2ckc s SER 2619N 3.40 5.95 -0.82 2.44 0.01 -1.26 -4.94 113.70 118.48 2ckc s SER 2619Ca 0.06 -0.33 -0.26 0.00 1.31 0.00 0.00 55.95 56.74 2ckc s SER 2619Cb -0.27 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.44 2ckc s SER 2619CO 0.05 -1.97 1.39 -0.36 0.41 0.00 0.00 173.24 172.76 2ckc s PHE 2620N 6.57 2.30 -0.02 2.43 0.08 -1.26 -4.71 117.98 123.36 2ckc s PHE 2620Ca 0.44 -0.20 0.11 0.00 0.12 0.00 0.00 56.93 57.40 2ckc s PHE 2620Cb -0.09 -4.59 -0.23 0.00 -0.57 0.00 0.00 43.02 37.54 2ckc s PHE 2620CO 0.15 -2.04 0.76 0.37 -0.10 0.00 0.00 175.22 174.35 2ckc h GLN 2621N 10.34 0.01 0.00 0.44 4.15 -2.05 -3.55 115.11 124.45 2ckc h GLN 2621Ca -0.13 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.28 2ckc h GLN 2621Cb 1.04 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.74 2ckc h GLN 2621CO 1.32 0.60 0.00 1.63 -1.93 0.00 0.00 178.83 180.44