#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 6.44 0.56 -1.43 1.01 -1.26 -4.93 116.67 117.06 2ckc s ASP 2564Ca 0.00 1.67 0.35 0.00 0.71 0.00 0.00 52.55 55.28 2ckc s ASP 2564Cb 0.00 -2.52 1.48 0.00 1.01 0.00 0.00 42.92 42.89 2ckc s ASP 2564CO 0.00 -0.72 2.03 -0.65 0.21 0.00 0.00 175.17 176.04 2ckc h PRO 2565N 0.96 0.00 -0.00 8.23 0.11 -1.99 -2.34 132.00 136.97 2ckc h PRO 2565Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2ckc h PRO 2565Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2ckc h PRO 2565CO 0.60 0.00 -0.47 -3.47 -0.21 0.00 0.00 178.00 174.46 2ckc n ASP 2566N -3.10 0.69 -4.71 -2.05 2.03 -1.26 -1.22 116.55 106.93 2ckc n ASP 2566Ca 0.00 -0.48 -0.43 0.00 0.52 0.00 0.00 54.79 54.40 2ckc n ASP 2566Cb 0.28 0.27 -0.03 0.00 -0.72 0.00 0.00 41.12 40.92 2ckc n ASP 2566CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2ckc n THR 2567N -1.26 0.53 -3.36 5.18 -1.04 -0.88 -4.61 114.28 108.84 2ckc n THR 2567Ca 0.07 -0.13 -0.38 0.00 -2.04 0.00 0.00 64.05 61.57 2ckc n THR 2567Cb 0.34 -1.78 -0.06 0.00 -1.82 0.00 0.00 70.33 67.01 2ckc n THR 2567CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2ckc s ARG 2568N 0.25 4.22 -0.38 -2.82 1.81 -1.26 -0.41 118.95 120.36 2ckc s ARG 2568Ca 0.71 0.46 -0.05 0.00 -1.72 0.00 0.00 55.73 55.13 2ckc s ARG 2568Cb -0.57 -3.36 0.08 0.00 -0.45 0.00 0.00 34.95 30.65 2ckc s ARG 2568CO 0.42 0.34 0.16 0.42 -0.68 0.00 0.00 175.30 175.96 2ckc s ILE 2569N 0.01 3.52 -0.36 1.52 -1.09 -0.43 -4.96 121.20 119.41 2ckc s ILE 2569Ca 0.25 -1.62 -0.28 0.00 -2.23 0.00 0.00 60.65 56.77 2ckc s ILE 2569Cb -0.16 -3.20 -0.02 0.00 -1.58 0.00 0.00 42.46 37.50 2ckc s ILE 2569CO 0.12 -0.44 1.82 -2.16 -1.23 0.00 0.00 174.94 173.04 2ckc s PRO 2570N 1.27 3.24 0.16 2.79 0.04 -1.26 -3.82 135.00 137.42 2ckc s PRO 2570Ca 0.03 1.36 0.06 0.00 0.04 0.00 0.00 61.00 62.48 2ckc s PRO 2570Cb -0.22 -4.22 -0.04 0.00 0.04 0.00 0.00 34.50 30.06 2ckc s PRO 2570CO -0.01 -1.97 -0.12 0.14 0.04 0.00 0.00 177.00 175.08 2ckc s VAL 2571N 7.21 1.37 -0.00 -0.36 -7.23 -0.28 -0.62 120.40 120.48 2ckc s VAL 2571Ca 0.79 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.97 2ckc s VAL 2571Cb -0.21 -1.81 -0.00 0.00 0.56 0.00 0.00 36.38 34.91 2ckc s VAL 2571CO 0.32 -0.62 -0.05 -0.51 -0.31 0.00 0.00 175.10 173.93 2ckc s ILE 2572N -2.91 0.43 -0.36 -0.62 2.07 0.64 -0.30 121.20 120.13 2ckc s ILE 2572Ca 0.16 -0.26 -0.18 0.00 -1.41 0.00 0.00 60.65 58.97 2ckc s ILE 2572Cb -0.00 -0.37 -0.00 0.00 0.13 0.00 0.00 42.46 42.22 2ckc s ILE 2572CO 0.03 0.10 0.50 0.21 -1.91 0.00 0.00 174.94 173.87 2ckc s ASN 2573N -0.17 6.29 0.58 4.50 2.47 0.58 -0.29 114.94 128.90 2ckc s ASN 2573Ca 0.02 -0.13 0.36 0.00 0.42 0.00 0.00 52.86 53.52 2ckc s ASN 2573Cb -0.02 -2.26 1.67 0.00 -1.45 0.00 0.00 41.25 39.19 2ckc s ASN 2573CO -0.00 -0.49 2.10 -0.07 -3.72 0.00 0.00 177.10 174.92 2ckc h LEU 2574N 9.09 0.00 0.02 3.21 3.38 -1.83 0.28 115.31 129.47 2ckc h LEU 2574Ca -0.28 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 2ckc h LEU 2574Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2ckc h LEU 2574CO 0.77 0.03 -0.18 -0.33 0.09 0.00 0.00 178.44 178.82 2ckc h GLU 2575N 0.00 0.08 0.18 1.13 4.39 -1.92 -3.37 114.58 115.07 2ckc h GLU 2575Ca -0.00 -0.12 -0.33 0.00 0.34 0.00 0.00 59.36 59.25 2ckc h GLU 2575Cb 0.35 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2ckc h GLU 2575CO 0.00 1.00 -1.54 -0.44 -1.16 0.00 0.00 179.01 176.87 2ckc h ASP 2576N -0.77 0.61 0.00 1.42 3.32 -1.92 -3.47 116.42 115.61 2ckc h ASP 2576Ca -0.03 -0.76 0.00 0.00 0.02 0.00 0.00 57.03 56.26 2ckc h ASP 2576Cb 1.08 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.43 2ckc h ASP 2576CO 0.03 1.62 0.00 0.61 -1.72 0.00 0.00 179.24 179.78 2ckc n GLY 2577N 1.72 0.75 3.76 2.75 0.00 0.98 -5.05 105.19 110.10 2ckc n GLY 2577Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.23 3.33 -0.06 2.61 -1.32 -1.22 -4.83 115.64 111.91 2ckc s THR 2578Ca 0.00 1.26 -0.04 0.00 -1.21 0.00 0.00 61.69 61.70 2ckc s THR 2578Cb 0.00 -3.77 0.03 0.00 -1.51 0.00 0.00 72.50 67.25 2ckc s THR 2578CO 0.00 0.24 0.15 -0.60 -2.21 0.00 0.00 174.62 172.20 2ckc s ARG 2579N -1.77 0.12 -0.29 7.08 3.52 -1.26 -0.31 118.95 126.05 2ckc s ARG 2579Ca 0.49 0.32 0.03 0.00 -0.13 0.00 0.00 55.73 56.44 2ckc s ARG 2579Cb -0.32 -0.09 0.08 0.00 -1.56 0.00 0.00 34.95 33.06 2ckc s ARG 2579CO 0.41 -0.12 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.25 2ckc s LEU 2580N 0.80 3.66 0.24 -0.88 1.43 0.58 -4.98 118.68 119.53 2ckc s LEU 2580Ca -0.06 -1.65 0.05 0.00 -1.03 0.00 0.00 54.13 51.44 2ckc s LEU 2580Cb -0.08 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 2ckc s LEU 2580CO -0.04 -0.28 -0.04 0.68 0.23 0.00 0.00 176.35 176.89 2ckc s VAL 2581N 1.12 1.31 0.00 -1.59 -7.23 -1.26 -1.12 120.40 111.63 2ckc s VAL 2581Ca 0.00 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 2ckc s VAL 2581Cb -0.19 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.44 2ckc s VAL 2581CO -0.08 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 2ckc n GLY 2582N -0.45 2.85 0.11 2.32 0.00 -1.26 -1.74 105.19 107.02 2ckc n GLY 2582Ca -0.06 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.99 -3.26 114.58 115.05 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 -0.29 -0.25 0.07 0.00 0.00 179.01 178.54 2ckc n ASP 2584N -2.52 0.41 -4.77 3.06 8.00 -0.71 -4.85 116.55 115.17 2ckc n ASP 2584Ca 0.02 0.17 -0.37 0.00 0.71 0.00 0.00 54.79 55.32 2ckc n ASP 2584Cb 0.50 -0.15 -0.00 0.00 -0.02 0.00 0.00 41.12 41.45 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 -3.04 2.95 0.60 2.24 0.00 -1.06 -4.50 121.76 118.95 2ckc s ALA 2585Ca 0.11 1.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.88 2ckc s ALA 2585Cb 0.17 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 2ckc s ALA 2585CO 0.63 -0.77 1.25 -1.25 0.00 0.00 0.00 175.76 175.62 2ckc s PRO 2586N -2.73 2.88 0.33 0.00 0.04 -1.25 -4.61 135.00 129.65 2ckc s PRO 2586Ca 0.65 1.94 -0.27 0.00 0.04 0.00 0.00 61.00 63.36 2ckc s PRO 2586Cb -0.30 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 2ckc s PRO 2586CO 0.37 -1.31 1.09 0.15 0.04 0.00 0.00 177.00 177.34 2ckc s LYS 2587N -3.28 4.43 0.44 4.56 1.02 -1.26 -1.32 119.74 124.33 2ckc s LYS 2587Ca 0.78 1.72 0.18 0.00 0.02 0.00 0.00 55.97 58.67 2ckc s LYS 2587Cb -0.34 -2.94 1.11 0.00 -0.52 0.00 0.00 37.83 35.14 2ckc s LYS 2587CO 0.37 0.05 1.91 -0.97 -0.92 0.00 0.00 175.35 175.79 2ckc h ASN 2588N 3.30 0.34 -0.45 2.83 -1.24 0.16 0.18 115.58 120.70 2ckc h ASN 2588Ca -0.47 0.02 -0.12 0.00 0.71 0.00 0.00 56.30 56.44 2ckc h ASN 2588Cb 1.22 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 40.21 2ckc h ASN 2588CO 0.65 0.17 -0.17 0.07 -1.29 0.00 0.00 177.43 176.86 2ckc h LYS 2589N 0.36 0.95 -0.68 6.67 2.10 -1.44 -2.98 116.57 121.54 2ckc h LYS 2589Ca 0.38 -0.37 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2ckc h LYS 2589Cb 0.97 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2ckc h LYS 2589CO -0.12 1.03 0.00 -0.25 -2.00 0.00 0.00 179.45 178.12 2ckc n ASP 2590N -4.13 3.69 -0.06 7.07 8.00 -0.15 -4.32 116.55 126.65 2ckc n ASP 2590Ca 0.01 -2.00 -0.10 0.00 0.71 0.00 0.00 54.79 53.40 2ckc n ASP 2590Cb 0.43 -0.45 -0.04 0.00 -0.02 0.00 0.00 41.12 41.03 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 4.06 0.28 -1.27 0.64 5.85 -0.56 -2.40 115.31 121.91 2ckc h LEU 2591Ca 0.00 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.66 2ckc h LEU 2591Cb 0.93 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 2ckc h LEU 2591CO 0.00 0.35 0.54 -0.37 -0.34 0.00 0.00 178.44 178.62 2ckc h VAL 2592N 0.20 1.00 -0.40 1.05 -1.51 -1.76 -0.82 116.25 114.02 2ckc h VAL 2592Ca 0.07 -0.29 -0.04 0.00 -1.23 0.00 0.00 66.70 65.21 2ckc h VAL 2592Cb 0.15 0.08 -0.02 0.00 -2.13 0.00 0.00 31.29 29.37 2ckc h VAL 2592CO -0.01 0.16 0.10 -0.33 -1.23 0.00 0.00 177.57 176.26 2ckc h GLU 2593N 0.85 0.63 -0.30 5.19 4.39 -1.76 -0.42 114.58 123.16 2ckc h GLU 2593Ca 0.37 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.82 2ckc h GLU 2593Cb 0.32 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2ckc h GLU 2593CO -0.14 0.66 -0.23 2.35 -1.16 0.00 0.00 179.01 180.49 2ckc h TRP 2594N 0.50 0.64 -0.18 4.33 7.01 -0.82 -2.30 115.95 125.12 2ckc h TRP 2594Ca 0.12 -0.13 -0.10 0.00 2.11 0.00 0.00 58.89 60.90 2ckc h TRP 2594Cb 0.31 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 2ckc h TRP 2594CO 0.02 0.75 -0.30 -0.07 -2.79 0.00 0.00 178.44 176.05 2ckc h LEU 2595N 0.50 0.36 -1.52 0.65 4.07 -0.82 0.13 115.31 118.69 2ckc h LEU 2595Ca 0.08 -0.13 -0.05 0.00 0.08 0.00 0.00 57.88 57.86 2ckc h LEU 2595Cb 0.67 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 2ckc h LEU 2595CO 0.05 0.66 -0.25 0.11 -1.08 0.00 0.00 178.44 177.93 2ckc h LYS 2596N 0.31 0.00 0.01 1.13 1.57 -0.53 -2.99 116.57 116.08 2ckc h LYS 2596Ca 0.04 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.53 2ckc h LYS 2596Cb 0.70 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.96 2ckc h LYS 2596CO 0.05 0.25 -1.70 -0.07 -0.57 0.00 0.00 179.45 177.41 2ckc h LEU 2597N 0.00 0.04 -6.97 2.94 3.38 -0.98 -3.43 115.31 110.29 2ckc h LEU 2597Ca -0.00 -0.09 -0.62 0.00 0.09 0.00 0.00 57.88 57.27 2ckc h LEU 2597Cb 0.51 -0.01 -0.41 0.00 0.09 0.00 0.00 40.66 40.84 2ckc h LEU 2597CO 0.03 1.08 -0.70 -1.00 0.09 0.00 0.00 178.44 177.94 2ckc s HIS 2598N -2.60 2.63 -0.83 1.13 3.76 0.36 -4.90 115.29 114.84 2ckc s HIS 2598Ca -0.06 -2.88 0.22 0.00 -0.15 0.00 0.00 55.06 52.19 2ckc s HIS 2598Cb 0.08 -2.18 0.89 0.00 1.11 0.00 0.00 32.58 32.48 2ckc s HIS 2598CO 0.82 -0.69 1.69 -0.35 -0.85 0.00 0.00 174.74 175.36 2ckc n PRO 2599N 2.73 0.09 -0.86 8.40 -0.04 -1.22 -2.70 135.00 141.39 2ckc n PRO 2599Ca 0.16 0.23 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 2ckc n PRO 2599Cb 0.37 -1.64 0.40 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.80 2.63 -2.30 0.52 -2.24 -1.26 -4.96 114.28 104.87 2ckc n THR 2600Ca 0.04 -1.37 -0.25 0.00 -2.27 0.00 0.00 64.05 60.21 2ckc n THR 2600Cb 0.27 -0.23 0.07 0.00 -2.10 0.00 0.00 70.33 68.34 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 -2.64 2.73 -0.07 4.78 1.13 -1.10 -2.88 117.35 119.31 2ckc s TYR 2601Ca 0.54 0.29 -0.10 0.00 -1.41 0.00 0.00 57.07 56.39 2ckc s TYR 2601Cb 0.40 -3.15 0.02 0.00 -1.10 0.00 0.00 41.96 38.14 2ckc s TYR 2601CO 0.17 -1.40 0.25 0.99 -2.51 0.00 0.00 175.55 173.05 2ckc s THR 2602N -3.18 0.03 -0.09 -3.49 2.01 0.60 -4.85 115.64 106.67 2ckc s THR 2602Ca 0.61 -0.21 -0.30 0.00 0.31 0.00 0.00 61.69 62.10 2ckc s THR 2602Cb -0.10 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 2ckc s THR 2602CO 0.44 -0.12 1.23 -0.69 -0.69 0.00 0.00 174.62 174.79 2ckc s VAL 2603N -0.41 4.24 -0.06 3.82 1.01 -1.26 -0.26 120.40 127.48 2ckc s VAL 2603Ca -0.05 1.55 -0.23 0.00 0.00 0.00 0.00 61.98 63.25 2ckc s VAL 2603Cb -0.03 -4.00 -0.18 0.00 0.00 0.00 0.00 36.38 32.17 2ckc s VAL 2603CO 0.01 -0.04 0.93 -0.78 0.00 0.00 0.00 175.10 175.22 2ckc h ASP 2604N 7.70 -0.12 -3.15 3.32 3.58 -1.16 -3.43 116.42 123.16 2ckc h ASP 2604Ca -0.32 -0.46 -0.63 0.00 0.42 0.00 0.00 57.03 56.05 2ckc h ASP 2604Cb 1.14 0.03 -0.35 0.00 1.72 0.00 0.00 39.33 41.87 2ckc h ASP 2604CO 0.91 0.48 -0.85 -0.04 -2.88 0.00 0.00 179.24 176.86 2ckc s MET 2605N -3.42 2.54 0.44 0.28 -1.94 -1.18 -5.00 119.30 111.03 2ckc s MET 2605Ca -0.14 -0.66 0.18 0.00 -1.71 0.00 0.00 55.69 53.35 2ckc s MET 2605Cb 0.00 -2.21 1.11 0.00 2.01 0.00 0.00 34.83 35.74 2ckc s MET 2605CO 0.54 -0.16 1.90 -1.35 -0.01 0.00 0.00 175.02 175.94 2ckc h PRO 2606N 7.78 0.35 0.00 2.03 0.11 -1.88 -3.41 132.00 136.98 2ckc h PRO 2606Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2ckc h PRO 2606Cb 1.15 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2ckc h PRO 2606CO 0.55 0.23 0.00 0.43 -0.21 0.00 0.00 178.00 179.00 2ckc n SER 2607N -4.47 0.00 0.00 -2.05 7.64 -1.26 -3.88 113.62 109.60 2ckc n SER 2607Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2ckc n SER 2607Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.00 0.00 -3.75 1.43 4.11 -1.26 -5.01 117.16 112.68 2ckc n TYR 2608Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.75 2ckc n TYR 2608Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.19 2ckc n TYR 2608CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2ckc s VAL 2609N 0.00 -0.07 -0.52 -3.48 1.01 -1.25 -5.10 120.40 110.99 2ckc s VAL 2609Ca 0.00 0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.93 2ckc s VAL 2609Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 2ckc s VAL 2609CO 0.00 0.09 1.76 -2.16 0.00 0.00 0.00 175.10 174.79 2ckc s PRO 2610N 1.27 2.96 -0.08 2.72 0.04 -1.26 -4.97 135.00 135.68 2ckc s PRO 2610Ca -0.08 0.83 -0.03 0.00 0.04 0.00 0.00 61.00 61.77 2ckc s PRO 2610Cb -0.12 -4.28 -0.04 0.00 0.04 0.00 0.00 34.50 30.10 2ckc s PRO 2610CO -0.05 -2.33 0.07 0.15 0.04 0.00 0.00 177.00 174.88 2ckc s LYS 2611N 6.35 3.16 -0.00 4.56 1.02 -1.26 -5.01 119.74 128.56 2ckc s LYS 2611Ca 0.68 -0.33 -0.00 0.00 0.02 0.00 0.00 55.97 56.34 2ckc s LYS 2611Cb -0.15 -2.94 -0.00 0.00 -0.52 0.00 0.00 37.83 34.22 2ckc s LYS 2611CO 0.25 0.72 -0.00 -1.71 -0.92 0.00 0.00 175.35 173.69 2ckc n ASN 2612N 1.85 0.02 0.00 2.83 2.85 -1.26 -4.98 115.26 116.57 2ckc n ASN 2612Ca -0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 2ckc n ASN 2612Cb 0.54 -0.28 0.00 0.00 1.24 0.00 0.00 39.78 41.28 2ckc n ASN 2612CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ckc n ALA 2613N -2.52 1.90 -1.44 5.20 0.00 -1.26 -5.04 120.51 117.35 2ckc n ALA 2613Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2ckc n ALA 2613Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2ckc n ALA 2613CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ckc n ASP 2614N -1.68 -4.96 -4.69 0.00 9.92 -1.26 -4.97 116.55 108.91 2ckc n ASP 2614Ca 0.00 0.38 -0.31 0.00 -0.53 0.00 0.00 54.79 54.32 2ckc n ASP 2614Cb 0.00 -3.80 -0.08 0.00 -0.64 0.00 0.00 41.12 36.60 2ckc n ASP 2614CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2ckc s VAL 2615N -2.52 4.10 -1.29 2.53 -7.23 -1.26 -5.02 120.40 109.71 2ckc s VAL 2615Ca 0.00 -0.81 -0.18 0.00 -1.81 0.00 0.00 61.98 59.18 2ckc s VAL 2615Cb 0.00 -2.90 0.04 0.00 0.56 0.00 0.00 36.38 34.08 2ckc s VAL 2615CO 0.00 0.23 1.83 -0.11 -0.31 0.00 0.00 175.10 176.75 2ckc n LEU 2616N 0.93 4.87 0.00 1.32 7.94 -1.26 -4.55 117.00 126.25 2ckc n LEU 2616Ca -0.12 -3.81 0.00 0.00 -1.11 0.00 0.00 56.01 50.97 2ckc n LEU 2616Cb 0.52 -1.72 0.00 0.00 0.53 0.00 0.00 43.42 42.75 2ckc n LEU 2616CO 0.37 -0.05 0.00 0.33 -1.11 0.00 0.00 177.39 176.93 2ckc n PHE 2617N 9.01 0.00 -3.54 1.96 7.35 -1.26 -4.94 117.46 126.04 2ckc n PHE 2617Ca 0.49 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.78 2ckc n PHE 2617Cb 0.45 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.17 2ckc n PHE 2617CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2ckc s SER 2618N -2.05 6.06 0.12 -2.13 1.04 -1.26 -4.95 113.70 110.52 2ckc s SER 2618Ca 0.00 -0.37 -0.18 0.00 0.48 0.00 0.00 55.95 55.88 2ckc s SER 2618Cb 0.00 -2.14 -0.04 0.00 0.10 0.00 0.00 66.02 63.94 2ckc s SER 2618CO 0.00 -0.21 1.68 0.28 0.98 0.00 0.00 173.24 175.97 2ckc h SER 2619N 8.47 0.40 -3.83 7.02 0.02 -1.94 -3.42 113.55 120.27 2ckc h SER 2619Ca -0.32 -0.14 -0.68 0.00 -0.84 0.00 0.00 61.79 59.81 2ckc h SER 2619Cb 1.16 -0.10 -0.20 0.00 0.14 0.00 0.00 62.40 63.39 2ckc h SER 2619CO 0.62 0.43 -0.74 0.12 -1.14 0.00 0.00 176.83 176.12 2ckc s PHE 2620N -5.66 2.77 -0.27 3.45 5.36 -1.26 -4.81 117.98 117.56 2ckc s PHE 2620Ca -0.13 -0.11 -0.07 0.00 -0.96 0.00 0.00 56.93 55.66 2ckc s PHE 2620Cb 0.09 -1.61 0.01 0.00 -0.34 0.00 0.00 43.02 41.17 2ckc s PHE 2620CO 0.73 0.28 0.26 1.04 -1.46 0.00 0.00 175.22 176.07 2ckc n GLN 2621N 1.92 -1.93 0.00 10.12 6.02 -1.26 -5.15 117.38 127.09 2ckc n GLN 2621Ca -0.17 1.79 0.00 0.00 -0.01 0.00 0.00 57.00 58.62 2ckc n GLN 2621Cb 0.52 -4.26 0.00 0.00 1.02 0.00 0.00 30.24 27.52 2ckc n GLN 2621CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41