#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 4.89 0.65 -1.43 1.11 -1.26 -4.98 116.67 115.64 2ckc s ASP 2564Ca 0.00 -0.45 0.43 0.00 0.18 0.00 0.00 52.55 52.71 2ckc s ASP 2564Cb 0.00 -1.06 2.28 0.00 1.07 0.00 0.00 42.92 45.22 2ckc s ASP 2564CO 0.00 0.03 2.32 -0.65 1.18 0.00 0.00 175.17 178.05 2ckc h PRO 2565N 2.12 0.00 -0.01 8.23 0.11 -2.01 -0.14 132.00 140.30 2ckc h PRO 2565Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2ckc h PRO 2565Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2ckc h PRO 2565CO 0.60 0.00 -0.33 -0.25 -0.21 0.00 0.00 178.00 177.81 2ckc n ASP 2566N -3.12 1.13 -4.66 -2.05 8.00 -1.26 -2.16 116.55 112.43 2ckc n ASP 2566Ca -0.03 -0.93 -0.42 0.00 0.71 0.00 0.00 54.79 54.12 2ckc n ASP 2566Cb 0.10 0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 2ckc n ASP 2566CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2ckc s THR 2567N -2.55 3.30 0.28 -3.53 2.01 -0.07 -4.65 115.64 110.44 2ckc s THR 2567Ca 0.22 0.36 -0.29 0.00 0.31 0.00 0.00 61.69 62.30 2ckc s THR 2567Cb 0.19 -3.25 -0.09 0.00 0.01 0.00 0.00 72.50 69.36 2ckc s THR 2567CO 0.55 -0.04 0.97 -0.13 -0.69 0.00 0.00 174.62 175.28 2ckc s ARG 2568N 4.38 4.71 -0.35 4.92 1.81 -1.26 -1.29 118.95 131.87 2ckc s ARG 2568Ca 0.81 1.51 -0.08 0.00 -1.72 0.00 0.00 55.73 56.25 2ckc s ARG 2568Cb -0.37 -3.10 0.03 0.00 -0.45 0.00 0.00 34.95 31.06 2ckc s ARG 2568CO 0.35 0.37 0.13 0.42 -0.68 0.00 0.00 175.30 175.90 2ckc s ILE 2569N -1.31 4.04 -0.40 1.52 -1.09 0.41 -4.84 121.20 119.52 2ckc s ILE 2569Ca 0.45 -1.02 -0.28 0.00 -2.23 0.00 0.00 60.65 57.57 2ckc s ILE 2569Cb -0.25 -3.26 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 2ckc s ILE 2569CO 0.31 -0.18 1.96 -2.16 -1.23 0.00 0.00 174.94 173.64 2ckc s PRO 2570N 1.46 2.98 0.21 2.79 0.04 -1.26 -3.88 135.00 137.34 2ckc s PRO 2570Ca -0.00 1.33 0.04 0.00 0.04 0.00 0.00 61.00 62.41 2ckc s PRO 2570Cb -0.19 -4.32 -0.05 0.00 0.04 0.00 0.00 34.50 29.98 2ckc s PRO 2570CO 0.04 -2.28 -0.03 0.14 0.04 0.00 0.00 177.00 174.91 2ckc s VAL 2571N 8.31 1.11 0.01 -0.36 -7.23 -0.45 -1.66 120.40 120.12 2ckc s VAL 2571Ca 0.82 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 2ckc s VAL 2571Cb -0.21 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.50 2ckc s VAL 2571CO 0.30 -0.43 -0.05 -0.51 -0.31 0.00 0.00 175.10 174.10 2ckc s ILE 2572N -3.37 0.39 -0.36 -0.62 2.07 0.48 -0.75 121.20 119.05 2ckc s ILE 2572Ca 0.26 -0.44 -0.13 0.00 -1.41 0.00 0.00 60.65 58.93 2ckc s ILE 2572Cb 0.05 -0.38 0.00 0.00 0.13 0.00 0.00 42.46 42.26 2ckc s ILE 2572CO 0.07 -0.04 0.24 0.21 -1.91 0.00 0.00 174.94 173.51 2ckc s ASN 2573N -0.52 5.94 0.28 4.50 3.84 0.75 -0.28 114.94 129.45 2ckc s ASN 2573Ca -0.02 -0.66 0.05 0.00 0.21 0.00 0.00 52.86 52.44 2ckc s ASN 2573Cb -0.04 -2.10 0.42 0.00 -0.55 0.00 0.00 41.25 38.97 2ckc s ASN 2573CO -0.00 -0.31 1.69 -0.07 -2.79 0.00 0.00 177.10 175.62 2ckc h LEU 2574N 8.50 0.33 0.13 3.21 3.38 -1.82 0.40 115.31 129.43 2ckc h LEU 2574Ca -0.29 -0.14 -0.19 0.00 0.09 0.00 0.00 57.88 57.35 2ckc h LEU 2574Cb 1.14 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.81 2ckc h LEU 2574CO 0.66 0.69 -0.85 -0.33 0.09 0.00 0.00 178.44 178.71 2ckc h GLU 2575N 0.27 0.27 0.00 1.13 4.39 -1.93 -3.32 114.58 115.39 2ckc h GLU 2575Ca 0.03 -0.45 -0.13 0.00 0.34 0.00 0.00 59.36 59.14 2ckc h GLU 2575Cb 0.80 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.60 2ckc h GLU 2575CO 0.06 1.22 -0.64 -0.44 -1.16 0.00 0.00 179.01 178.05 2ckc h ASP 2576N -0.42 0.00 0.00 1.42 5.19 -1.92 -3.47 116.42 117.23 2ckc h ASP 2576Ca -0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 2ckc h ASP 2576Cb 1.61 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.12 2ckc h ASP 2576CO 0.12 0.64 0.00 0.61 -3.12 0.00 0.00 179.24 177.49 2ckc n GLY 2577N 0.93 0.52 3.91 2.75 0.00 0.12 -5.04 105.19 108.38 2ckc n GLY 2577Ca 0.01 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 2ckc n GLY 2577CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ckc s THR 2578N -2.00 5.12 -0.10 2.61 -1.32 -1.14 -4.93 115.64 113.89 2ckc s THR 2578Ca 0.00 -0.06 -0.04 0.00 -1.21 0.00 0.00 61.69 60.38 2ckc s THR 2578Cb 0.00 -3.69 0.05 0.00 -1.51 0.00 0.00 72.50 67.35 2ckc s THR 2578CO 0.00 -0.13 0.22 -0.60 -2.21 0.00 0.00 174.62 171.90 2ckc s ARG 2579N -3.12 0.13 -0.24 7.08 3.52 -1.26 -0.18 118.95 124.89 2ckc s ARG 2579Ca 0.41 0.58 -0.00 0.00 -0.13 0.00 0.00 55.73 56.59 2ckc s ARG 2579Cb -0.11 -0.14 0.07 0.00 -1.56 0.00 0.00 34.95 33.21 2ckc s ARG 2579CO 0.27 -0.23 -0.01 -0.51 -0.81 0.00 0.00 175.30 174.01 2ckc s LEU 2580N 1.80 2.31 0.07 -0.88 2.01 0.08 -5.00 118.68 119.07 2ckc s LEU 2580Ca -0.04 -1.18 0.06 0.00 0.01 0.00 0.00 54.13 52.98 2ckc s LEU 2580Cb -0.11 -1.03 -0.03 0.00 0.01 0.00 0.00 46.19 45.02 2ckc s LEU 2580CO -0.08 -0.28 -0.16 0.68 1.01 0.00 0.00 176.35 177.53 2ckc s VAL 2581N 1.50 1.25 0.00 -1.59 -7.23 -1.26 -1.35 120.40 111.73 2ckc s VAL 2581Ca -0.02 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 2ckc s VAL 2581Cb -0.18 -1.18 0.00 0.00 0.56 0.00 0.00 36.38 35.58 2ckc s VAL 2581CO -0.09 -0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.17 2ckc n GLY 2582N 1.34 -0.05 0.21 2.32 0.00 -1.26 -3.49 105.19 104.27 2ckc n GLY 2582Ca -0.20 -1.21 0.15 0.00 0.00 0.00 0.00 46.02 44.76 2ckc n GLY 2582CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ckc h GLU 2583N 0.00 0.00 -0.00 1.61 4.11 -1.97 -1.52 114.58 116.81 2ckc h GLU 2583Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ckc h GLU 2583Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2ckc h GLU 2583CO 0.00 0.00 -0.02 -0.25 0.07 0.00 0.00 179.01 178.81 2ckc n ASP 2584N -2.72 0.06 -4.87 3.06 8.00 -1.23 -4.83 116.55 114.03 2ckc n ASP 2584Ca 0.02 -0.18 -0.31 0.00 0.71 0.00 0.00 54.79 55.03 2ckc n ASP 2584Cb 0.29 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 2ckc n ASP 2584CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ckc s ALA 2585N -2.58 3.23 0.82 2.24 0.00 -0.57 -4.57 121.76 120.34 2ckc s ALA 2585Ca 0.28 -0.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.03 2ckc s ALA 2585Cb 0.20 -2.87 0.09 0.00 0.00 0.00 0.00 23.12 20.54 2ckc s ALA 2585CO 0.47 -0.17 1.20 -1.25 0.00 0.00 0.00 175.76 176.01 2ckc s PRO 2586N -4.10 1.55 0.69 0.00 0.04 -1.25 -4.52 135.00 127.41 2ckc s PRO 2586Ca 0.54 1.72 -0.13 0.00 0.04 0.00 0.00 61.00 63.18 2ckc s PRO 2586Cb -0.10 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.68 2ckc s PRO 2586CO 0.34 -2.27 1.08 0.15 0.04 0.00 0.00 177.00 176.34 2ckc s LYS 2587N -4.22 2.78 0.13 4.56 1.02 -1.26 -0.45 119.74 122.30 2ckc s LYS 2587Ca 0.72 1.18 -0.17 0.00 0.02 0.00 0.00 55.97 57.72 2ckc s LYS 2587Cb -0.28 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 35.05 2ckc s LYS 2587CO 0.52 -1.24 1.72 -0.97 -0.92 0.00 0.00 175.35 174.46 2ckc h ASN 2588N -0.41 0.44 -0.39 2.83 -0.73 -0.68 -0.22 115.58 116.43 2ckc h ASN 2588Ca -0.45 -0.10 -0.13 0.00 1.87 0.00 0.00 56.30 57.48 2ckc h ASN 2588Cb 1.23 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.69 2ckc h ASN 2588CO 0.55 0.42 -0.26 0.07 -0.37 0.00 0.00 177.43 177.83 2ckc h LYS 2589N 0.43 0.91 -0.01 6.67 2.10 -1.80 -3.02 116.57 121.85 2ckc h LYS 2589Ca 0.12 -0.40 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2ckc h LYS 2589Cb 0.08 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 2ckc h LYS 2589CO -0.02 1.06 -0.09 -0.25 -2.00 0.00 0.00 179.45 178.15 2ckc n ASP 2590N -4.09 0.83 -0.07 7.07 9.92 -1.15 -4.18 116.55 124.88 2ckc n ASP 2590Ca -0.00 -0.98 -0.07 0.00 -0.53 0.00 0.00 54.79 53.21 2ckc n ASP 2590Cb 0.47 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.95 2ckc n ASP 2590CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2ckc h LEU 2591N 1.16 -0.34 -1.29 0.64 5.85 -0.89 -1.53 115.31 118.91 2ckc h LEU 2591Ca 0.00 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2ckc h LEU 2591Cb 0.38 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 2ckc h LEU 2591CO 0.00 -0.13 0.51 -0.37 -0.34 0.00 0.00 178.44 178.11 2ckc h VAL 2592N -0.04 1.08 -0.24 1.05 -1.51 -1.79 -0.09 116.25 114.71 2ckc h VAL 2592Ca 0.14 -0.30 -0.11 0.00 -1.23 0.00 0.00 66.70 65.19 2ckc h VAL 2592Cb 0.26 0.11 -0.00 0.00 -2.13 0.00 0.00 31.29 29.52 2ckc h VAL 2592CO -0.31 0.16 -0.29 -0.33 -1.23 0.00 0.00 177.57 175.57 2ckc h GLU 2593N 0.89 0.62 -0.82 5.19 4.39 -1.68 -1.99 114.58 121.17 2ckc h GLU 2593Ca 0.32 -0.35 0.01 0.00 0.34 0.00 0.00 59.36 59.68 2ckc h GLU 2593Cb 0.14 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 2ckc h GLU 2593CO -0.10 0.95 0.54 2.35 -1.16 0.00 0.00 179.01 181.59 2ckc h TRP 2594N 0.32 1.04 -0.19 4.33 7.01 -0.34 -1.11 115.95 127.01 2ckc h TRP 2594Ca 0.03 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 60.97 2ckc h TRP 2594Cb 0.86 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.56 2ckc h TRP 2594CO 0.08 0.66 -0.24 -0.07 -2.79 0.00 0.00 178.44 176.08 2ckc h LEU 2595N 1.11 0.34 -0.37 0.65 4.07 -0.85 0.29 115.31 120.55 2ckc h LEU 2595Ca 0.30 -0.10 -0.19 0.00 0.08 0.00 0.00 57.88 57.97 2ckc h LEU 2595Cb -0.12 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.52 2ckc h LEU 2595CO -0.06 0.59 -0.69 0.11 -1.08 0.00 0.00 178.44 177.30 2ckc h LYS 2596N 0.31 0.55 -0.00 1.13 1.57 -0.51 -2.93 116.57 116.69 2ckc h LYS 2596Ca 0.05 -0.42 -0.21 0.00 -1.87 0.00 0.00 60.65 58.21 2ckc h LYS 2596Cb 0.59 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2ckc h LYS 2596CO 0.04 1.04 -0.89 -0.07 -0.57 0.00 0.00 179.45 179.00 2ckc h LEU 2597N 0.39 0.36 -6.83 2.94 3.38 -0.81 -3.38 115.31 111.36 2ckc h LEU 2597Ca -0.02 -0.29 -0.61 0.00 0.09 0.00 0.00 57.88 57.05 2ckc h LEU 2597Cb 1.27 -0.11 -0.41 0.00 0.09 0.00 0.00 40.66 41.50 2ckc h LEU 2597CO 0.13 1.09 -0.70 1.41 0.09 0.00 0.00 178.44 180.45 2ckc n HIS 2598N -3.70 1.97 0.48 1.13 8.25 0.98 -4.91 115.22 119.41 2ckc n HIS 2598Ca -0.05 -4.00 0.12 0.00 -0.26 0.00 0.00 57.72 53.54 2ckc n HIS 2598Cb 0.81 -0.35 0.46 0.00 1.12 0.00 0.00 29.99 32.03 2ckc n HIS 2598CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2ckc n PRO 2599N 2.19 0.23 -0.71 -0.41 -0.04 -1.11 -2.73 135.00 132.41 2ckc n PRO 2599Ca 0.23 0.35 0.04 0.00 -0.04 0.00 0.00 63.50 64.08 2ckc n PRO 2599Cb 0.39 -1.86 0.30 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.27 2.18 -2.39 0.52 -2.24 -1.26 -4.90 114.28 103.90 2ckc n THR 2600Ca 0.03 -1.11 -0.25 0.00 -2.27 0.00 0.00 64.05 60.45 2ckc n THR 2600Cb 0.31 -0.35 0.13 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.38 1.53 -0.12 4.78 1.13 -1.10 -3.29 117.35 117.90 2ckc s TYR 2601Ca 0.42 -0.12 -0.11 0.00 -1.41 0.00 0.00 57.07 55.85 2ckc s TYR 2601Cb 0.33 -3.33 0.03 0.00 -1.10 0.00 0.00 41.96 37.89 2ckc s TYR 2601CO 0.12 -2.02 0.33 0.99 -2.51 0.00 0.00 175.55 172.46 2ckc s THR 2602N -3.37 -0.00 -0.03 -3.49 2.01 0.61 -4.82 115.64 106.54 2ckc s THR 2602Ca 0.69 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.39 2ckc s THR 2602Cb -0.05 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.95 2ckc s THR 2602CO 0.47 0.00 1.54 -0.69 -0.69 0.00 0.00 174.62 175.25 2ckc s VAL 2603N 0.21 3.61 0.21 3.82 1.01 -1.26 -0.38 120.40 127.62 2ckc s VAL 2603Ca -0.00 0.88 -0.04 0.00 0.00 0.00 0.00 61.98 62.82 2ckc s VAL 2603Cb -0.03 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.80 2ckc s VAL 2603CO 0.00 -0.04 1.60 -0.78 0.00 0.00 0.00 175.10 175.88 2ckc h ASP 2604N 8.69 0.73 -3.57 3.32 3.58 -1.58 -3.35 116.42 124.24 2ckc h ASP 2604Ca -0.38 -0.29 -0.68 0.00 0.42 0.00 0.00 57.03 56.10 2ckc h ASP 2604Cb 1.17 -0.20 -0.37 0.00 1.72 0.00 0.00 39.33 41.65 2ckc h ASP 2604CO 0.94 0.99 -0.62 -0.32 -2.88 0.00 0.00 179.24 177.35 2ckc s MET 2605N -4.44 1.80 0.30 0.28 1.75 -1.22 -4.97 119.30 112.79 2ckc s MET 2605Ca -0.09 -1.84 0.05 0.00 -1.25 0.00 0.00 55.69 52.57 2ckc s MET 2605Cb 0.13 -3.43 0.71 0.00 2.84 0.00 0.00 34.83 35.07 2ckc s MET 2605CO 0.83 -1.01 1.79 -1.35 -0.65 0.00 0.00 175.02 174.63 2ckc h PRO 2606N 7.87 0.79 -1.23 4.11 0.11 -1.93 -1.08 132.00 140.64 2ckc h PRO 2606Ca -0.09 -0.05 -0.68 0.00 0.11 0.00 0.00 66.00 65.28 2ckc h PRO 2606Cb 1.04 -0.18 -0.30 0.00 0.11 0.00 0.00 31.00 31.66 2ckc h PRO 2606CO 0.62 0.52 0.69 0.43 -0.21 0.00 0.00 178.00 180.05 2ckc n SER 2607N -4.72 7.27 0.00 -2.05 7.64 -1.26 -4.77 113.62 115.73 2ckc n SER 2607Ca 0.22 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.31 2ckc n SER 2607Cb 0.52 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 2ckc n SER 2607CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ckc n TYR 2608N -0.79 0.00 -3.69 1.43 4.11 -0.41 -4.67 117.16 113.14 2ckc n TYR 2608Ca 0.58 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 58.30 2ckc n TYR 2608Cb 0.59 -0.35 -0.17 0.00 -0.00 0.00 0.00 39.34 39.42 2ckc n TYR 2608CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 2ckc s VAL 2609N -2.39 -0.14 -0.55 -3.48 -7.23 -1.26 -5.10 120.40 100.25 2ckc s VAL 2609Ca 0.00 0.36 -0.27 0.00 -1.81 0.00 0.00 61.98 60.26 2ckc s VAL 2609Cb 0.00 -0.18 -0.01 0.00 0.56 0.00 0.00 36.38 36.75 2ckc s VAL 2609CO 0.00 0.15 1.72 -2.16 -0.31 0.00 0.00 175.10 174.50 2ckc s PRO 2610N 1.95 2.95 0.17 4.82 0.04 -1.26 -4.76 135.00 138.91 2ckc s PRO 2610Ca 0.01 0.72 0.18 0.00 0.04 0.00 0.00 61.00 61.95 2ckc s PRO 2610Cb -0.12 -4.28 -0.02 0.00 0.04 0.00 0.00 34.50 30.12 2ckc s PRO 2610CO -0.04 -2.35 1.07 1.57 0.04 0.00 0.00 177.00 177.30 2ckc h LYS 2611N 13.46 0.00 0.00 4.56 2.10 -1.99 -3.48 116.57 131.22 2ckc h LYS 2611Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2ckc h LYS 2611Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2ckc h LYS 2611CO 1.17 0.24 0.00 -1.71 -2.00 0.00 0.00 179.45 177.15 2ckc n ASN 2612N -2.93 0.00 -3.74 7.07 5.15 -1.26 -4.65 115.26 114.90 2ckc n ASN 2612Ca -0.04 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.81 2ckc n ASN 2612Cb 0.72 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.88 2ckc n ASN 2612CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ckc s ALA 2613N -0.17 -0.90 0.07 5.20 0.00 -1.26 -5.03 121.76 119.66 2ckc s ALA 2613Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.69 2ckc s ALA 2613Cb 0.00 -0.26 -0.26 0.00 0.00 0.00 0.00 23.12 22.60 2ckc s ALA 2613CO 0.00 -0.23 1.11 0.22 0.00 0.00 0.00 175.76 176.86 2ckc h ASP 2614N 4.63 0.26 -1.28 0.00 3.58 -2.05 -3.41 116.42 118.16 2ckc h ASP 2614Ca -0.28 -0.30 -0.61 0.00 0.42 0.00 0.00 57.03 56.26 2ckc h ASP 2614Cb 1.18 -0.09 -0.11 0.00 1.72 0.00 0.00 39.33 42.03 2ckc h ASP 2614CO 0.34 1.24 1.42 -0.69 -2.88 0.00 0.00 179.24 178.66 2ckc s VAL 2615N -2.66 4.00 0.00 2.25 1.01 -1.26 -4.69 120.40 119.05 2ckc s VAL 2615Ca -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2ckc s VAL 2615Cb 0.08 -5.03 0.00 0.00 0.00 0.00 0.00 36.38 31.43 2ckc s VAL 2615CO 0.86 -1.89 0.00 0.18 0.00 0.00 0.00 175.10 174.25 2ckc n LEU 2616N 8.64 0.01 -0.04 3.92 4.77 -1.26 -4.91 117.00 128.12 2ckc n LEU 2616Ca 0.31 0.01 -0.06 0.00 -0.03 0.00 0.00 56.01 56.24 2ckc n LEU 2616Cb 0.51 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 2ckc n LEU 2616CO 0.64 -0.44 -0.78 0.49 -1.33 0.00 0.00 177.39 175.97 2ckc n PHE 2617N -2.36 0.00 -2.09 -1.77 3.72 -1.26 -5.03 117.46 108.67 2ckc n PHE 2617Ca 0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 2ckc n PHE 2617Cb 0.00 -0.34 -0.03 0.00 -0.94 0.00 0.00 39.48 38.17 2ckc n PHE 2617CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2ckc n SER 2618N -2.71 -5.25 -2.02 4.37 7.64 -1.26 -1.81 113.62 112.58 2ckc n SER 2618Ca -0.15 0.13 -0.21 0.00 1.01 0.00 0.00 58.87 59.64 2ckc n SER 2618Cb 0.67 -4.33 -0.05 0.00 -1.01 0.00 0.00 64.21 59.49 2ckc n SER 2618CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ckc n SER 2619N -1.30 -5.75 -4.53 6.43 7.64 -1.26 -4.92 113.62 109.93 2ckc n SER 2619Ca -0.21 0.24 -0.42 0.00 1.01 0.00 0.00 58.87 59.50 2ckc n SER 2619Cb 0.64 -4.92 -0.03 0.00 -1.01 0.00 0.00 64.21 58.90 2ckc n SER 2619CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2ckc s PHE 2620N -2.92 2.58 -0.05 1.43 5.36 -0.75 -4.59 117.98 119.04 2ckc s PHE 2620Ca 0.00 -0.69 0.02 0.00 -0.96 0.00 0.00 56.93 55.30 2ckc s PHE 2620Cb 0.00 -4.57 -0.05 0.00 -0.34 0.00 0.00 43.02 38.07 2ckc s PHE 2620CO 0.00 -1.87 -0.02 1.04 -1.46 0.00 0.00 175.22 172.91 2ckc n GLN 2621N 8.50 1.49 0.00 10.12 6.02 -1.26 -5.07 117.38 137.19 2ckc n GLN 2621Ca 0.20 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2ckc n GLN 2621Cb 0.50 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.64 2ckc n GLN 2621CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22