#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 6.52 0.53 -1.43 1.11 -1.26 -4.95 116.67 117.19 2ckc s ASP 2564Ca 0.00 1.11 0.35 0.00 0.18 0.00 0.00 52.55 54.19 2ckc s ASP 2564Cb 0.00 -2.31 1.67 0.00 1.07 0.00 0.00 42.92 43.35 2ckc s ASP 2564CO 0.00 -0.38 2.05 -0.65 1.18 0.00 0.00 175.17 177.37 2ckc h PRO 2565N 1.30 0.00 0.00 8.23 0.11 -1.99 -2.19 132.00 137.46 2ckc h PRO 2565Ca -0.47 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 2ckc h PRO 2565Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2ckc h PRO 2565CO 0.64 0.00 -0.52 -0.44 -0.21 0.00 0.00 178.00 177.47 2ckc h ASP 2566N 0.00 0.00 -3.53 -2.05 5.19 -1.94 -2.02 116.42 112.07 2ckc h ASP 2566Ca 0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 2ckc h ASP 2566Cb 0.26 0.00 0.08 0.00 0.18 0.00 0.00 39.33 39.85 2ckc h ASP 2566CO 0.00 0.34 0.80 -0.89 -3.12 0.00 0.00 179.24 176.37 2ckc s THR 2567N -3.05 2.29 0.05 0.35 2.01 -0.82 -4.62 115.64 111.85 2ckc s THR 2567Ca 0.04 0.26 -0.27 0.00 0.31 0.00 0.00 61.69 62.02 2ckc s THR 2567Cb 0.07 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 2ckc s THR 2567CO 0.74 0.05 0.86 -0.13 -0.69 0.00 0.00 174.62 175.45 2ckc s ARG 2568N -0.94 4.57 -0.42 4.92 1.81 -1.26 -0.03 118.95 127.61 2ckc s ARG 2568Ca 0.58 1.24 -0.07 0.00 -1.72 0.00 0.00 55.73 55.77 2ckc s ARG 2568Cb -0.45 -3.39 0.09 0.00 -0.45 0.00 0.00 34.95 30.75 2ckc s ARG 2568CO 0.50 0.19 0.24 0.42 -0.68 0.00 0.00 175.30 175.98 2ckc s ILE 2569N 0.18 3.85 -0.39 1.52 -1.09 0.42 -4.91 121.20 120.78 2ckc s ILE 2569Ca 0.43 -1.67 -0.28 0.00 -2.23 0.00 0.00 60.65 56.91 2ckc s ILE 2569Cb -0.21 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 2ckc s ILE 2569CO 0.26 -0.58 1.79 -2.16 -1.23 0.00 0.00 174.94 173.02 2ckc s PRO 2570N 1.32 3.21 0.25 2.79 0.04 -1.26 -3.86 135.00 137.48 2ckc s PRO 2570Ca 0.04 1.25 0.02 0.00 0.04 0.00 0.00 61.00 62.35 2ckc s PRO 2570Cb -0.23 -4.23 -0.05 0.00 0.04 0.00 0.00 34.50 30.03 2ckc s PRO 2570CO -0.01 -2.02 0.06 0.14 0.04 0.00 0.00 177.00 175.22 2ckc s VAL 2571N 7.27 0.77 -0.05 -0.36 -7.23 -0.27 -1.08 120.40 119.45 2ckc s VAL 2571Ca 0.77 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.85 2ckc s VAL 2571Cb -0.20 -2.54 0.01 0.00 0.56 0.00 0.00 36.38 34.21 2ckc s VAL 2571CO 0.31 -0.12 0.20 -0.51 -0.31 0.00 0.00 175.10 174.67 2ckc s ILE 2572N -3.60 0.03 -0.18 -0.62 2.07 -0.11 -0.41 121.20 118.38 2ckc s ILE 2572Ca 0.34 -0.28 -0.15 0.00 -1.41 0.00 0.00 60.65 59.15 2ckc s ILE 2572Cb 0.07 -0.38 -0.04 0.00 0.13 0.00 0.00 42.46 42.24 2ckc s ILE 2572CO 0.12 -0.16 0.35 0.21 -1.91 0.00 0.00 174.94 173.55 2ckc s ASN 2573N -0.55 6.44 0.07 4.50 2.47 0.01 -0.73 114.94 127.15 2ckc s ASN 2573Ca -0.06 0.51 0.28 0.00 0.42 0.00 0.00 52.86 54.01 2ckc s ASN 2573Cb -0.04 -2.21 1.07 0.00 -1.45 0.00 0.00 41.25 38.63 2ckc s ASN 2573CO 0.01 0.00 1.87 0.18 -3.72 0.00 0.00 177.10 175.44 2ckc n LEU 2574N 4.07 0.30 0.08 3.21 4.77 -0.98 -0.71 117.00 127.74 2ckc n LEU 2574Ca -0.10 0.52 -0.10 0.00 -0.03 0.00 0.00 56.01 56.30 2ckc n LEU 2574Cb 0.51 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 2ckc n LEU 2574CO 0.40 -0.06 0.17 -0.33 -1.33 0.00 0.00 177.39 176.24 2ckc h GLU 2575N 0.00 0.21 0.00 3.23 4.39 -1.93 -3.39 114.58 117.08 2ckc h GLU 2575Ca 0.00 -0.26 -0.08 0.00 0.34 0.00 0.00 59.36 59.35 2ckc h GLU 2575Cb 0.59 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2ckc h GLU 2575CO 0.00 1.03 -1.32 -0.40 -1.16 0.00 0.00 179.01 177.16 2ckc n ASP 2576N -3.61 3.39 0.00 1.42 5.68 -1.20 -5.02 116.55 117.21 2ckc n ASP 2576Ca -0.04 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 2ckc n ASP 2576Cb 0.87 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.75 2ckc n ASP 2576CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ckc n GLY 2577N 3.20 1.02 3.67 6.12 0.00 0.11 -5.05 105.19 114.26 2ckc n GLY 2577Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2ckc n GLY 2577CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ckc s THR 2578N -2.00 4.79 -0.02 2.61 2.01 -1.23 -4.88 115.64 116.91 2ckc s THR 2578Ca 0.00 1.90 0.07 0.00 0.31 0.00 0.00 61.69 63.98 2ckc s THR 2578Cb 0.00 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 2ckc s THR 2578CO 0.00 -0.04 -0.25 -0.60 -0.69 0.00 0.00 174.62 173.04 2ckc s ARG 2579N 2.38 2.06 -0.27 4.92 3.52 -1.26 -0.81 118.95 129.49 2ckc s ARG 2579Ca 0.44 -0.88 0.00 0.00 -0.13 0.00 0.00 55.73 55.16 2ckc s ARG 2579Cb -0.17 -1.96 0.08 0.00 -1.56 0.00 0.00 34.95 31.35 2ckc s ARG 2579CO 0.13 0.51 0.03 -0.51 -0.81 0.00 0.00 175.30 174.65 2ckc s LEU 2580N -0.53 2.58 0.15 -0.88 1.43 0.45 -4.98 118.68 116.91 2ckc s LEU 2580Ca 0.08 -1.45 0.08 0.00 -1.03 0.00 0.00 54.13 51.80 2ckc s LEU 2580Cb -0.10 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 2ckc s LEU 2580CO -0.00 -0.34 -0.17 0.68 0.23 0.00 0.00 176.35 176.75 2ckc s VAL 2581N 1.47 1.68 0.00 -1.59 -7.23 -1.26 -1.11 120.40 112.36 2ckc s VAL 2581Ca 0.03 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 2ckc s VAL 2581Cb -0.18 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.01 2ckc s VAL 2581CO -0.14 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 174.93 2ckc n GLY 2582N 0.39 3.62 0.21 2.32 0.00 -1.26 -1.87 105.19 108.60 2ckc n GLY 2582Ca -0.14 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 3.07 -1.99 -2.06 114.58 115.21 2ckc h GLU 2583Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2ckc h GLU 2583Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2ckc h GLU 2583CO 0.00 0.28 -0.04 -0.44 -1.40 0.00 0.00 179.01 177.42 2ckc h ASP 2584N 0.00 0.00 -3.91 1.42 5.19 -1.72 -3.46 116.42 113.94 2ckc h ASP 2584Ca -0.00 -0.01 -0.50 0.00 -0.62 0.00 0.00 57.03 55.90 2ckc h ASP 2584Cb 0.55 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.09 2ckc h ASP 2584CO 0.04 0.00 0.46 0.00 -3.12 0.00 0.00 179.24 176.62 2ckc s ALA 2585N -3.14 3.20 0.73 3.45 0.00 -0.78 -4.50 121.76 120.72 2ckc s ALA 2585Ca 0.09 0.84 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 2ckc s ALA 2585Cb 0.10 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.94 2ckc s ALA 2585CO 0.63 -0.29 1.17 -1.25 0.00 0.00 0.00 175.76 176.02 2ckc s PRO 2586N -2.12 2.19 0.58 0.00 0.04 -1.25 -4.57 135.00 129.86 2ckc s PRO 2586Ca 0.53 1.63 -0.15 0.00 0.04 0.00 0.00 61.00 63.05 2ckc s PRO 2586Cb -0.27 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 2ckc s PRO 2586CO 0.35 -1.77 1.02 0.15 0.04 0.00 0.00 177.00 176.79 2ckc s LYS 2587N -4.07 3.58 0.59 4.56 1.02 -1.26 -0.43 119.74 123.72 2ckc s LYS 2587Ca 0.71 1.01 0.32 0.00 0.02 0.00 0.00 55.97 58.03 2ckc s LYS 2587Cb -0.26 -2.08 1.86 0.00 -0.52 0.00 0.00 37.83 36.83 2ckc s LYS 2587CO 0.46 -0.59 2.24 -0.97 -0.92 0.00 0.00 175.35 175.58 2ckc h ASN 2588N 0.40 0.00 0.12 2.83 -1.24 0.00 0.34 115.58 118.03 2ckc h ASN 2588Ca -0.46 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.40 2ckc h ASN 2588Cb 1.20 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.24 2ckc h ASN 2588CO 0.60 0.02 -0.54 0.07 -1.29 0.00 0.00 177.43 176.29 2ckc h LYS 2589N 0.00 0.45 0.00 6.67 2.10 -1.66 -3.22 116.57 120.92 2ckc h LYS 2589Ca -0.00 -0.28 -0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2ckc h LYS 2589Cb 0.06 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.42 2ckc h LYS 2589CO 0.00 0.88 -0.64 -0.44 -2.00 0.00 0.00 179.45 177.25 2ckc h ASP 2590N 0.35 0.00 -0.62 7.07 3.32 -0.76 -3.37 116.42 122.42 2ckc h ASP 2590Ca 0.01 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.18 2ckc h ASP 2590Cb 1.05 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.49 2ckc h ASP 2590CO 0.10 0.01 -0.18 0.25 -1.72 0.00 0.00 179.24 177.69 2ckc h LEU 2591N 0.00 -0.66 -1.01 1.55 7.12 -0.81 0.21 115.31 121.71 2ckc h LEU 2591Ca -0.00 0.19 -0.07 0.00 0.13 0.00 0.00 57.88 58.13 2ckc h LEU 2591Cb 1.01 0.41 -0.02 0.00 -0.53 0.00 0.00 40.66 41.53 2ckc h LEU 2591CO 0.00 -0.22 -0.05 -0.37 -0.13 0.00 0.00 178.44 177.67 2ckc h VAL 2592N -0.03 1.23 -0.07 1.05 -1.51 -1.74 -0.56 116.25 114.62 2ckc h VAL 2592Ca 0.29 -0.99 -0.17 0.00 -1.23 0.00 0.00 66.70 64.60 2ckc h VAL 2592Cb 0.48 0.99 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 2ckc h VAL 2592CO -0.65 0.34 -0.69 -0.33 -1.23 0.00 0.00 177.57 175.00 2ckc h GLU 2593N 0.61 0.32 -0.10 5.19 3.07 -1.35 -2.64 114.58 119.68 2ckc h GLU 2593Ca 0.12 -0.25 -0.11 0.00 -0.50 0.00 0.00 59.36 58.62 2ckc h GLU 2593Cb 0.46 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 2ckc h GLU 2593CO 0.02 0.89 -0.41 2.35 -1.40 0.00 0.00 179.01 180.46 2ckc h TRP 2594N 0.22 0.25 -0.07 4.33 7.01 0.01 -2.71 115.95 125.00 2ckc h TRP 2594Ca -0.02 -0.07 -0.17 0.00 2.11 0.00 0.00 58.89 60.74 2ckc h TRP 2594Cb 1.25 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 28.24 2ckc h TRP 2594CO 0.03 0.60 -0.69 -0.07 -2.79 0.00 0.00 178.44 175.53 2ckc h LEU 2595N 0.18 0.37 -0.78 0.65 4.07 -1.01 0.31 115.31 119.11 2ckc h LEU 2595Ca 0.02 -0.24 -0.13 0.00 0.08 0.00 0.00 57.88 57.61 2ckc h LEU 2595Cb 0.81 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 2ckc h LEU 2595CO 0.06 0.95 -0.57 0.07 -1.08 0.00 0.00 178.44 177.87 2ckc h LYS 2596N 0.22 0.12 0.13 1.13 2.10 -1.30 -2.37 116.57 116.60 2ckc h LYS 2596Ca -0.02 -0.08 -0.30 0.00 -2.00 0.00 0.00 60.65 58.26 2ckc h LYS 2596Cb 1.24 0.01 0.03 0.00 -0.90 0.00 0.00 32.23 32.60 2ckc h LYS 2596CO 0.11 0.66 -1.25 -0.07 -2.00 0.00 0.00 179.45 176.90 2ckc h LEU 2597N 0.09 0.79 -6.75 7.07 3.38 -1.29 -3.40 115.31 115.20 2ckc h LEU 2597Ca -0.00 -0.75 -0.61 0.00 0.09 0.00 0.00 57.88 56.61 2ckc h LEU 2597Cb 1.04 -0.25 -0.41 0.00 0.09 0.00 0.00 40.66 41.13 2ckc h LEU 2597CO 0.08 1.56 -0.68 1.41 0.09 0.00 0.00 178.44 180.90 2ckc n HIS 2598N -3.74 2.31 0.84 1.13 8.25 0.11 -4.89 115.22 119.22 2ckc n HIS 2598Ca -0.13 -4.05 0.10 0.00 -0.26 0.00 0.00 57.72 53.38 2ckc n HIS 2598Cb 0.99 -0.43 0.48 0.00 1.12 0.00 0.00 29.99 32.16 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 1.93 0.13 -0.64 -0.41 -0.04 -0.90 -2.73 135.00 132.34 2ckc n PRO 2599Ca 0.24 0.12 0.06 0.00 -0.04 0.00 0.00 63.50 63.87 2ckc n PRO 2599Cb 0.39 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.41 1.96 -2.60 0.52 -2.24 -1.26 -4.93 114.28 104.32 2ckc n THR 2600Ca 0.07 -1.03 -0.24 0.00 -2.27 0.00 0.00 64.05 60.59 2ckc n THR 2600Cb 0.21 -0.27 0.12 0.00 -2.10 0.00 0.00 70.33 68.29 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 -2.23 1.41 0.10 4.78 1.13 -1.11 -2.31 117.35 119.13 2ckc s TYR 2601Ca 0.41 -0.33 -0.14 0.00 -1.41 0.00 0.00 57.07 55.60 2ckc s TYR 2601Cb 0.30 -2.99 0.02 0.00 -1.10 0.00 0.00 41.96 38.19 2ckc s TYR 2601CO 0.13 -1.80 0.33 -0.08 -2.51 0.00 0.00 175.55 171.62 2ckc s THR 2602N -3.17 0.09 -0.00 -3.49 -1.32 0.09 -4.82 115.64 103.01 2ckc s THR 2602Ca 0.67 -0.76 -0.26 0.00 -1.21 0.00 0.00 61.69 60.13 2ckc s THR 2602Cb -0.05 -1.19 -0.04 0.00 -1.51 0.00 0.00 72.50 69.71 2ckc s THR 2602CO 0.45 -0.42 0.82 -0.69 -2.21 0.00 0.00 174.62 172.57 2ckc s VAL 2603N -3.65 4.87 -0.04 5.08 1.01 -1.26 -0.93 120.40 125.48 2ckc s VAL 2603Ca 0.02 1.72 -0.09 0.00 0.00 0.00 0.00 61.98 63.63 2ckc s VAL 2603Cb 0.02 -4.16 -0.30 0.00 0.00 0.00 0.00 36.38 31.94 2ckc s VAL 2603CO -0.11 0.26 0.70 -0.78 0.00 0.00 0.00 175.10 175.18 2ckc h ASP 2604N 6.40 0.58 -3.16 3.32 3.58 -1.39 -3.44 116.42 122.31 2ckc h ASP 2604Ca -0.42 -0.86 -0.57 0.00 0.42 0.00 0.00 57.03 55.60 2ckc h ASP 2604Cb 1.21 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 42.01 2ckc h ASP 2604CO 0.74 1.72 0.90 -0.32 -2.88 0.00 0.00 179.24 179.40 2ckc s MET 2605N -2.59 4.05 0.14 0.28 1.75 -1.22 -4.94 119.30 116.78 2ckc s MET 2605Ca -0.15 1.26 -0.25 0.00 -1.25 0.00 0.00 55.69 55.31 2ckc s MET 2605Cb 0.06 -3.79 -0.01 0.00 2.84 0.00 0.00 34.83 33.93 2ckc s MET 2605CO 0.86 -0.93 1.63 -1.00 -0.65 0.00 0.00 175.02 174.92 2ckc h PRO 2606N 8.51 -0.33 -4.11 4.11 0.13 -1.95 -3.35 132.00 135.01 2ckc h PRO 2606Ca -0.23 0.02 -0.62 0.00 -0.87 0.00 0.00 66.00 64.30 2ckc h PRO 2606Cb 1.08 0.07 -0.40 0.00 0.13 0.00 0.00 31.00 31.89 2ckc h PRO 2606CO 1.02 -0.22 -0.74 -1.12 -0.23 0.00 0.00 178.00 176.71 2ckc s SER 2607N -4.96 4.40 0.02 1.44 0.01 -1.26 -4.99 113.70 108.36 2ckc s SER 2607Ca -0.15 -1.92 -0.06 0.00 1.31 0.00 0.00 55.95 55.12 2ckc s SER 2607Cb 0.11 -1.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.05 2ckc s SER 2607CO 0.67 -0.39 1.10 0.10 0.41 0.00 0.00 173.24 175.12 2ckc h TYR 2608N 7.82 -0.25 -3.48 2.43 -0.00 -2.01 -3.45 116.97 118.03 2ckc h TYR 2608Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 58.73 58.45 2ckc h TYR 2608Cb 1.01 0.10 -0.26 0.00 0.00 0.00 0.00 36.73 37.58 2ckc h TYR 2608CO 0.41 -0.12 -0.58 0.54 -0.00 0.00 0.00 178.16 178.41 2ckc s VAL 2609N -3.49 0.01 -0.35 -0.90 0.11 -1.26 -5.09 120.40 109.43 2ckc s VAL 2609Ca -0.03 -0.10 -0.28 0.00 -2.93 0.00 0.00 61.98 58.64 2ckc s VAL 2609Cb 0.01 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 2ckc s VAL 2609CO 0.10 -0.06 1.82 -2.84 -3.33 0.00 0.00 175.10 170.80 2ckc s PRO 2610N -0.13 3.27 0.14 1.54 0.02 -1.26 -4.85 135.00 133.73 2ckc s PRO 2610Ca -0.02 1.40 -0.10 0.00 0.02 0.00 0.00 61.00 62.30 2ckc s PRO 2610Cb -0.02 -4.22 -0.04 0.00 0.02 0.00 0.00 34.50 30.24 2ckc s PRO 2610CO 0.00 -1.93 1.44 -0.22 -0.33 0.00 0.00 177.00 175.96 2ckc h LYS 2611N 13.13 0.84 -5.66 5.54 3.64 -2.01 -3.43 116.57 128.63 2ckc h LYS 2611Ca -0.33 -0.51 -0.66 0.00 -1.27 0.00 0.00 60.65 57.88 2ckc h LYS 2611Cb 1.17 0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 32.91 2ckc h LYS 2611CO 1.04 1.15 -0.57 -0.80 -2.27 0.00 0.00 179.45 178.00 2ckc s ASN 2612N -6.93 5.59 0.72 4.20 -0.87 -1.26 -5.08 114.94 111.31 2ckc s ASN 2612Ca -0.10 0.19 -0.14 0.00 -1.57 0.00 0.00 52.86 51.23 2ckc s ASN 2612Cb 0.11 -1.77 0.03 0.00 -0.02 0.00 0.00 41.25 39.60 2ckc s ASN 2612CO 0.88 0.31 1.15 0.00 -2.57 0.00 0.00 177.10 176.88 2ckc s ALA 2613N -0.48 2.23 -0.37 0.60 0.00 -1.26 -4.91 121.76 117.57 2ckc s ALA 2613Ca 0.10 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.77 2ckc s ALA 2613Cb -0.12 -3.39 0.41 0.00 0.00 0.00 0.00 23.12 20.02 2ckc s ALA 2613CO 0.02 -1.67 1.40 -0.25 0.00 0.00 0.00 175.76 175.26 2ckc n ASP 2614N -2.75 3.52 0.20 0.00 8.00 -1.26 -4.07 116.55 120.18 2ckc n ASP 2614Ca 0.12 -2.76 0.12 0.00 0.71 0.00 0.00 54.79 52.97 2ckc n ASP 2614Cb 0.51 -0.66 0.15 0.00 -0.02 0.00 0.00 41.12 41.10 2ckc n ASP 2614CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2ckc h VAL 2615N 1.19 0.00 -5.04 2.53 3.04 -2.05 -3.48 116.25 112.43 2ckc h VAL 2615Ca 0.23 -0.99 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 2ckc h VAL 2615Cb 1.79 1.90 0.00 0.00 -2.01 0.00 0.00 31.29 32.97 2ckc h VAL 2615CO 0.50 0.00 -0.40 0.18 -1.01 0.00 0.00 177.57 176.83 2ckc n LEU 2616N -3.01 -7.23 0.06 3.16 7.99 -1.26 -4.97 117.00 111.73 2ckc n LEU 2616Ca 0.03 0.43 0.11 0.00 -0.01 0.00 0.00 56.01 56.57 2ckc n LEU 2616Cb 0.53 -3.14 -0.07 0.00 -0.11 0.00 0.00 43.42 40.63 2ckc n LEU 2616CO 0.35 -2.01 -0.30 2.22 -1.51 0.00 0.00 177.39 176.13 2ckc n PHE 2617N -0.45 0.60 -3.59 -1.77 -1.74 -1.26 -5.02 117.46 104.23 2ckc n PHE 2617Ca 0.10 0.17 -0.24 0.00 -0.56 0.00 0.00 57.45 56.92 2ckc n PHE 2617Cb 0.42 -0.79 0.02 0.00 1.52 0.00 0.00 39.48 40.65 2ckc n PHE 2617CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2ckc n SER 2618N -2.53 -5.70 -3.38 5.98 7.64 -1.26 -4.99 113.62 109.38 2ckc n SER 2618Ca -0.02 -0.82 -0.17 0.00 1.01 0.00 0.00 58.87 58.86 2ckc n SER 2618Cb 0.58 -3.32 -0.09 0.00 -1.01 0.00 0.00 64.21 60.37 2ckc n SER 2618CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ckc s SER 2619N -3.26 1.40 -0.11 6.43 0.01 -1.26 -5.12 113.70 111.79 2ckc s SER 2619Ca 0.27 -1.13 -0.08 0.00 1.31 0.00 0.00 55.95 56.32 2ckc s SER 2619Cb -0.10 0.55 0.04 0.00 0.21 0.00 0.00 66.02 66.72 2ckc s SER 2619CO 0.85 -0.33 0.29 0.12 0.41 0.00 0.00 173.24 174.58 2ckc s PHE 2620N 1.93 -0.35 -0.00 2.43 5.36 -1.26 -5.08 117.98 121.01 2ckc s PHE 2620Ca 0.13 0.84 -0.01 0.00 -0.96 0.00 0.00 56.93 56.93 2ckc s PHE 2620Cb -0.15 0.11 -0.00 0.00 -0.34 0.00 0.00 43.02 42.64 2ckc s PHE 2620CO -0.19 -0.20 -0.01 0.94 -1.46 0.00 0.00 175.22 174.30 2ckc n GLN 2621N 3.52 0.02 0.00 10.12 7.27 -1.26 -5.30 117.38 131.75 2ckc n GLN 2621Ca -0.18 0.01 0.00 0.00 0.07 0.00 0.00 57.00 56.90 2ckc n GLN 2621Cb 0.56 -0.32 0.00 0.00 2.41 0.00 0.00 30.24 32.89 2ckc n GLN 2621CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76