#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 7.27 0.62 -1.43 2.15 -1.26 -4.95 116.67 119.08 2ckc s ASP 2564Ca 0.00 1.61 0.29 0.00 0.43 0.00 0.00 52.55 54.88 2ckc s ASP 2564Cb 0.00 -2.49 1.55 0.00 -0.30 0.00 0.00 42.92 41.68 2ckc s ASP 2564CO 0.00 0.09 1.92 -0.65 -0.17 0.00 0.00 175.17 176.36 2ckc h PRO 2565N 3.78 0.00 0.00 4.34 0.11 -1.99 -1.62 132.00 136.62 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 0.66 0.00 -1.01 -3.47 -0.21 0.00 0.00 178.00 173.96 2ckc n ASP 2566N -3.35 0.72 -4.71 -2.05 2.03 -1.26 -1.32 116.55 106.61 2ckc n ASP 2566Ca 0.03 0.18 -0.42 0.00 0.52 0.00 0.00 54.79 55.10 2ckc n ASP 2566Cb 0.52 0.56 -0.03 0.00 -0.72 0.00 0.00 41.12 41.45 2ckc n ASP 2566CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2ckc s THR 2567N -3.31 2.17 0.32 5.18 2.01 -0.61 -4.51 115.64 116.88 2ckc s THR 2567Ca 0.01 0.05 -0.27 0.00 0.31 0.00 0.00 61.69 61.80 2ckc s THR 2567Cb 0.11 -3.03 -0.10 0.00 0.01 0.00 0.00 72.50 69.49 2ckc s THR 2567CO 0.79 0.00 0.97 -0.13 -0.69 0.00 0.00 174.62 175.56 2ckc s ARG 2568N 1.49 4.57 -0.37 4.92 1.81 -1.26 -0.65 118.95 129.46 2ckc s ARG 2568Ca 0.76 1.42 -0.04 0.00 -1.72 0.00 0.00 55.73 56.15 2ckc s ARG 2568Cb -0.49 -2.87 0.08 0.00 -0.45 0.00 0.00 34.95 31.22 2ckc s ARG 2568CO 0.33 0.25 0.14 0.42 -0.68 0.00 0.00 175.30 175.75 2ckc s ILE 2569N -1.52 3.44 -0.35 1.52 -1.09 0.34 -4.89 121.20 118.65 2ckc s ILE 2569Ca 0.49 -1.59 -0.28 0.00 -2.23 0.00 0.00 60.65 57.04 2ckc s ILE 2569Cb -0.21 -3.14 -0.03 0.00 -1.58 0.00 0.00 42.46 37.50 2ckc s ILE 2569CO 0.27 -0.40 1.90 -2.16 -1.23 0.00 0.00 174.94 173.32 2ckc s PRO 2570N 1.27 3.16 0.31 2.79 0.04 -1.26 -3.77 135.00 137.54 2ckc s PRO 2570Ca 0.02 1.42 0.05 0.00 0.04 0.00 0.00 61.00 62.52 2ckc s PRO 2570Cb -0.21 -4.26 -0.06 0.00 0.04 0.00 0.00 34.50 30.00 2ckc s PRO 2570CO -0.01 -2.07 0.02 0.14 0.04 0.00 0.00 177.00 175.13 2ckc s VAL 2571N 7.62 1.31 -0.01 -0.36 -7.23 -0.23 -0.37 120.40 121.13 2ckc s VAL 2571Ca 0.82 -2.03 -0.01 0.00 -1.81 0.00 0.00 61.98 58.95 2ckc s VAL 2571Cb -0.23 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.04 2ckc s VAL 2571CO 0.32 -0.11 0.02 -0.51 -0.31 0.00 0.00 175.10 174.51 2ckc s ILE 2572N -3.22 0.01 -0.29 -0.62 2.07 0.69 -0.24 121.20 119.60 2ckc s ILE 2572Ca 0.34 -0.05 -0.11 0.00 -1.41 0.00 0.00 60.65 59.42 2ckc s ILE 2572Cb 0.07 -0.06 -0.04 0.00 0.13 0.00 0.00 42.46 42.56 2ckc s ILE 2572CO 0.14 -0.03 0.19 0.21 -1.91 0.00 0.00 174.94 173.54 2ckc s ASN 2573N -0.08 5.95 0.17 4.50 3.04 0.53 -0.34 114.94 128.70 2ckc s ASN 2573Ca -0.01 -0.10 -0.00 0.00 0.04 0.00 0.00 52.86 52.79 2ckc s ASN 2573Cb -0.01 -2.11 0.02 0.00 -1.54 0.00 0.00 41.25 37.62 2ckc s ASN 2573CO -0.00 -0.08 1.40 -0.07 -3.04 0.00 0.00 177.10 175.31 2ckc h LEU 2574N 8.38 0.40 -0.23 3.21 3.38 -1.52 0.18 115.31 129.11 2ckc h LEU 2574Ca -0.35 -0.29 -0.18 0.00 0.09 0.00 0.00 57.88 57.16 2ckc h LEU 2574Cb 1.18 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2ckc h LEU 2574CO 0.57 1.06 -0.54 1.05 0.09 0.00 0.00 178.44 180.66 2ckc h GLU 2575N 0.20 0.77 0.08 1.13 4.11 -1.94 -3.34 114.58 115.58 2ckc h GLU 2575Ca -0.04 -0.52 -0.22 0.00 0.07 0.00 0.00 59.36 58.64 2ckc h GLU 2575Cb 1.41 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 2ckc h GLU 2575CO 0.13 1.15 -1.13 0.22 0.07 0.00 0.00 179.01 179.45 2ckc h ASP 2576N 0.50 0.27 0.00 3.06 3.58 -1.91 -3.48 116.42 118.44 2ckc h ASP 2576Ca -0.00 -0.82 0.00 0.00 0.42 0.00 0.00 57.03 56.62 2ckc h ASP 2576Cb 1.16 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2ckc h ASP 2576CO 0.12 1.49 0.00 0.61 -2.88 0.00 0.00 179.24 178.58 2ckc n GLY 2577N 1.66 0.56 3.77 -0.78 0.00 0.64 -5.08 105.19 105.97 2ckc n GLY 2577Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 3.15 -0.05 2.61 -1.32 -1.22 -4.80 115.64 112.01 2ckc s THR 2578Ca 0.00 0.85 -0.00 0.00 -1.21 0.00 0.00 61.69 61.33 2ckc s THR 2578Cb 0.00 -3.42 0.03 0.00 -1.51 0.00 0.00 72.50 67.59 2ckc s THR 2578CO 0.00 -0.02 -0.01 -0.60 -2.21 0.00 0.00 174.62 171.78 2ckc s ARG 2579N -2.74 0.50 -0.36 7.08 3.52 -1.26 -0.35 118.95 125.34 2ckc s ARG 2579Ca 0.64 0.07 0.03 0.00 -0.13 0.00 0.00 55.73 56.34 2ckc s ARG 2579Cb -0.28 -0.74 0.10 0.00 -1.56 0.00 0.00 34.95 32.48 2ckc s ARG 2579CO 0.34 -0.19 0.08 -0.51 -0.81 0.00 0.00 175.30 174.21 2ckc s LEU 2580N 1.41 4.42 0.12 -0.88 1.43 0.67 -4.96 118.68 120.89 2ckc s LEU 2580Ca -0.04 -2.22 0.08 0.00 -1.03 0.00 0.00 54.13 50.91 2ckc s LEU 2580Cb -0.13 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 2ckc s LEU 2580CO -0.03 -0.36 -0.19 0.68 0.23 0.00 0.00 176.35 176.68 2ckc s VAL 2581N 0.81 1.66 0.00 -1.59 -7.23 -1.26 -1.06 120.40 111.73 2ckc s VAL 2581Ca 0.12 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 2ckc s VAL 2581Cb -0.20 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.13 2ckc s VAL 2581CO -0.09 -0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.12 2ckc n GLY 2582N 0.79 0.38 0.14 2.32 0.00 -1.26 -3.13 105.19 104.43 2ckc n GLY 2582Ca -0.17 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.00 -3.00 114.58 115.30 2ckc h GLU 2583Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 2ckc h GLU 2583Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2ckc h GLU 2583CO 0.00 0.00 -0.18 -0.44 0.07 0.00 0.00 179.01 178.46 2ckc h ASP 2584N 0.00 0.00 -3.57 3.06 3.32 -1.88 -3.44 116.42 113.91 2ckc h ASP 2584Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 2ckc h ASP 2584Cb 0.87 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.47 2ckc h ASP 2584CO 0.00 0.18 0.69 0.00 -1.72 0.00 0.00 179.24 178.40 2ckc s ALA 2585N -3.86 3.56 0.44 3.45 0.00 -1.13 -4.66 121.76 119.55 2ckc s ALA 2585Ca -0.01 1.26 -0.25 0.00 0.00 0.00 0.00 51.96 52.97 2ckc s ALA 2585Cb 0.11 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 2ckc s ALA 2585CO 0.61 -0.67 1.33 -1.25 0.00 0.00 0.00 175.76 175.78 2ckc s PRO 2586N -0.86 3.74 0.59 0.00 0.04 -1.25 -4.51 135.00 132.75 2ckc s PRO 2586Ca 0.55 2.20 -0.19 0.00 0.04 0.00 0.00 61.00 63.60 2ckc s PRO 2586Cb -0.40 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 2ckc s PRO 2586CO 0.46 -0.69 1.23 0.15 0.04 0.00 0.00 177.00 178.19 2ckc s LYS 2587N -2.45 2.97 0.34 4.56 1.02 -1.26 -0.51 119.74 124.41 2ckc s LYS 2587Ca 0.61 1.89 0.06 0.00 0.02 0.00 0.00 55.97 58.55 2ckc s LYS 2587Cb -0.39 -1.96 0.73 0.00 -0.52 0.00 0.00 37.83 35.69 2ckc s LYS 2587CO 0.49 -1.23 1.88 -0.97 -0.92 0.00 0.00 175.35 174.60 2ckc h ASN 2588N 0.94 0.73 -0.77 2.83 -0.73 -0.26 0.68 115.58 119.01 2ckc h ASN 2588Ca -0.51 0.03 -0.05 0.00 1.87 0.00 0.00 56.30 57.64 2ckc h ASN 2588Cb 1.30 -0.11 -0.03 0.00 0.27 0.00 0.00 38.32 39.74 2ckc h ASN 2588CO 0.55 0.40 0.27 0.07 -0.37 0.00 0.00 177.43 178.34 2ckc h LYS 2589N 0.79 1.18 -0.24 6.67 2.10 -1.49 -2.84 116.57 122.73 2ckc h LYS 2589Ca 0.43 -0.24 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 2ckc h LYS 2589Cb 0.57 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 2ckc h LYS 2589CO -0.20 0.98 0.00 -0.25 -2.00 0.00 0.00 179.45 177.98 2ckc n ASP 2590N -4.26 2.59 0.13 7.07 8.00 -0.41 -4.40 116.55 125.26 2ckc n ASP 2590Ca 0.06 -1.86 -0.13 0.00 0.71 0.00 0.00 54.79 53.58 2ckc n ASP 2590Cb 0.21 -0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 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 3.48 -0.63 -1.53 0.64 5.85 -0.66 -1.02 115.31 121.43 2ckc h LEU 2591Ca 0.00 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.83 2ckc h LEU 2591Cb 0.76 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 2ckc h LEU 2591CO 0.00 -0.32 0.38 -0.37 -0.34 0.00 0.00 178.44 177.78 2ckc h VAL 2592N -0.44 1.03 -0.42 1.05 -1.51 -1.77 -0.08 116.25 114.11 2ckc h VAL 2592Ca 0.02 -0.20 -0.07 0.00 -1.23 0.00 0.00 66.70 65.21 2ckc h VAL 2592Cb 0.45 0.38 -0.01 0.00 -2.13 0.00 0.00 31.29 29.97 2ckc h VAL 2592CO -0.10 0.11 -0.02 -0.33 -1.23 0.00 0.00 177.57 176.00 2ckc h GLU 2593N 0.60 0.75 -0.40 5.19 4.39 -1.68 -0.78 114.58 122.65 2ckc h GLU 2593Ca 0.24 -0.25 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 2ckc h GLU 2593Cb 0.18 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2ckc h GLU 2593CO -0.07 0.84 -0.20 2.35 -1.16 0.00 0.00 179.01 180.78 2ckc h TRP 2594N 0.59 0.88 -0.66 4.33 7.01 -0.23 -2.64 115.95 125.21 2ckc h TRP 2594Ca 0.12 -0.19 -0.04 0.00 2.11 0.00 0.00 58.89 60.89 2ckc h TRP 2594Cb 0.51 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.33 2ckc h TRP 2594CO 0.04 0.91 0.26 -0.07 -2.79 0.00 0.00 178.44 176.79 2ckc h LEU 2595N 0.68 0.89 -2.05 0.65 4.07 -0.72 0.31 115.31 119.13 2ckc h LEU 2595Ca 0.10 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 2ckc h LEU 2595Cb 0.70 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 42.21 2ckc h LEU 2595CO 0.05 0.80 -0.07 0.11 -1.08 0.00 0.00 178.44 178.25 2ckc h LYS 2596N 0.95 0.00 0.00 1.13 1.57 -0.79 -2.09 116.57 117.34 2ckc h LYS 2596Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2ckc h LYS 2596Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2ckc h LYS 2596CO -0.02 0.07 -1.53 1.28 -0.57 0.00 0.00 179.45 178.68 2ckc n LEU 2597N -3.42 0.37 -3.52 2.94 4.77 -0.47 -4.74 117.00 112.93 2ckc n LEU 2597Ca -0.02 0.04 -0.28 0.00 -0.03 0.00 0.00 56.01 55.72 2ckc n LEU 2597Cb 0.22 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.16 2ckc n LEU 2597CO 0.27 -0.02 -0.27 -1.00 -1.33 0.00 0.00 177.39 175.04 2ckc s HIS 2598N -3.39 1.42 -0.21 -1.77 3.76 -0.03 -4.93 115.29 110.14 2ckc s HIS 2598Ca -0.03 -2.28 0.29 0.00 -0.15 0.00 0.00 55.06 52.89 2ckc s HIS 2598Cb 0.13 -1.28 1.11 0.00 1.11 0.00 0.00 32.58 33.65 2ckc s HIS 2598CO 0.86 -0.79 1.84 -1.00 -0.85 0.00 0.00 174.74 174.81 2ckc h PRO 2599N 6.14 0.00 -0.74 8.40 0.13 -1.84 -2.91 132.00 141.17 2ckc h PRO 2599Ca 0.16 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.27 2ckc h PRO 2599Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 2ckc h PRO 2599CO 0.40 0.00 0.02 0.25 -0.23 0.00 0.00 178.00 178.45 2ckc n THR 2600N -2.73 1.84 -2.45 1.56 -2.24 -1.26 -4.92 114.28 104.08 2ckc n THR 2600Ca 0.02 -0.93 -0.24 0.00 -2.27 0.00 0.00 64.05 60.63 2ckc n THR 2600Cb 0.31 -0.37 0.09 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.15 2.25 -0.14 4.78 1.13 -1.10 -1.39 117.35 120.73 2ckc s TYR 2601Ca 0.36 0.02 -0.13 0.00 -1.41 0.00 0.00 57.07 55.90 2ckc s TYR 2601Cb 0.27 -3.07 0.04 0.00 -1.10 0.00 0.00 41.96 38.10 2ckc s TYR 2601CO 0.10 -1.49 0.38 0.99 -2.51 0.00 0.00 175.55 173.02 2ckc s THR 2602N -3.12 -0.00 0.10 -3.49 2.01 0.53 -4.81 115.64 106.86 2ckc s THR 2602Ca 0.63 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.34 2ckc s THR 2602Cb -0.08 -0.53 -0.06 0.00 0.01 0.00 0.00 72.50 71.84 2ckc s THR 2602CO 0.43 0.00 0.96 0.54 -0.69 0.00 0.00 174.62 175.86 2ckc s VAL 2603N 0.29 4.53 0.04 3.82 0.11 -1.26 -0.22 120.40 127.70 2ckc s VAL 2603Ca -0.01 2.06 -0.17 0.00 -2.93 0.00 0.00 61.98 60.93 2ckc s VAL 2603Cb -0.03 -4.32 -0.25 0.00 -1.53 0.00 0.00 36.38 30.26 2ckc s VAL 2603CO -0.00 0.31 1.12 -0.78 -3.33 0.00 0.00 175.10 172.42 2ckc h ASP 2604N 5.66 0.73 -3.71 3.54 3.58 -0.98 -3.41 116.42 121.83 2ckc h ASP 2604Ca -0.43 -0.77 -0.68 0.00 0.42 0.00 0.00 57.03 55.58 2ckc h ASP 2604Cb 1.21 -0.22 -0.34 0.00 1.72 0.00 0.00 39.33 41.69 2ckc h ASP 2604CO 0.72 1.41 -0.76 -0.04 -2.88 0.00 0.00 179.24 177.69 2ckc s MET 2605N -3.18 2.48 0.51 0.28 -1.94 -1.14 -4.95 119.30 111.36 2ckc s MET 2605Ca -0.11 -1.21 0.27 0.00 -1.71 0.00 0.00 55.69 52.93 2ckc s MET 2605Cb 0.05 -3.00 1.37 0.00 2.01 0.00 0.00 34.83 35.26 2ckc s MET 2605CO 0.88 -0.53 2.03 -1.00 -0.01 0.00 0.00 175.02 176.39 2ckc h PRO 2606N 7.91 0.00 -4.83 2.03 0.13 -1.91 -3.36 132.00 131.98 2ckc h PRO 2606Ca -0.24 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.21 2ckc h PRO 2606Cb 1.07 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.85 2ckc h PRO 2606CO 0.52 0.13 -0.75 -1.12 -0.23 0.00 0.00 178.00 176.55 2ckc s SER 2607N -6.13 4.63 0.05 1.44 0.01 -1.26 -5.03 113.70 107.40 2ckc s SER 2607Ca -0.02 -1.29 -0.09 0.00 1.31 0.00 0.00 55.95 55.85 2ckc s SER 2607Cb 0.12 -1.63 -0.02 0.00 0.21 0.00 0.00 66.02 64.70 2ckc s SER 2607CO 0.59 -0.22 1.16 0.10 0.41 0.00 0.00 173.24 175.28 2ckc h TYR 2608N 7.90 -0.54 -3.26 2.43 -0.00 -1.97 -3.40 116.97 118.12 2ckc h TYR 2608Ca -0.21 0.04 -0.27 0.00 -0.00 0.00 0.00 58.73 58.28 2ckc h TYR 2608Cb 1.06 0.27 -0.33 0.00 -0.00 0.00 0.00 36.73 37.73 2ckc h TYR 2608CO 0.62 -0.11 -0.63 0.54 -0.00 0.00 0.00 178.16 178.58 2ckc s VAL 2609N -3.72 -0.10 -1.17 -0.90 0.11 -1.26 -5.01 120.40 108.35 2ckc s VAL 2609Ca -0.03 0.24 -0.21 0.00 -2.93 0.00 0.00 61.98 59.04 2ckc s VAL 2609Cb 0.03 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.65 2ckc s VAL 2609CO 0.18 0.10 1.81 -2.84 -3.33 0.00 0.00 175.10 171.02 2ckc s PRO 2610N 1.45 3.15 0.15 1.54 0.02 -1.26 -4.59 135.00 135.45 2ckc s PRO 2610Ca -0.06 -1.34 -0.01 0.00 0.02 0.00 0.00 61.00 59.61 2ckc s PRO 2610Cb -0.12 -5.34 -0.04 0.00 0.02 0.00 0.00 34.50 29.03 2ckc s PRO 2610CO -0.05 -3.11 1.35 1.57 -0.33 0.00 0.00 177.00 176.43 2ckc h LYS 2611N 9.18 0.31 -4.38 5.54 2.10 -1.98 -3.36 116.57 123.99 2ckc h LYS 2611Ca 0.28 -0.33 -0.72 0.00 -2.00 0.00 0.00 60.65 57.89 2ckc h LYS 2611Cb 0.93 0.09 -0.31 0.00 -0.90 0.00 0.00 32.23 32.05 2ckc h LYS 2611CO 1.33 1.02 -0.45 1.21 -2.00 0.00 0.00 179.45 180.56 2ckc s ASN 2612N -7.00 5.56 -1.00 7.07 3.84 -1.26 -5.03 114.94 117.11 2ckc s ASN 2612Ca -0.04 -1.88 -0.20 0.00 0.21 0.00 0.00 52.86 50.95 2ckc s ASN 2612Cb 0.10 -1.95 0.11 0.00 -0.55 0.00 0.00 41.25 38.95 2ckc s ASN 2612CO 0.85 -0.63 1.29 0.00 -2.79 0.00 0.00 177.10 175.82 2ckc s ALA 2613N 1.31 3.21 -0.38 1.71 0.00 -1.26 -4.78 121.76 121.56 2ckc s ALA 2613Ca 0.06 -2.67 0.02 0.00 0.00 0.00 0.00 51.96 49.37 2ckc s ALA 2613Cb -0.25 -4.24 0.15 0.00 0.00 0.00 0.00 23.12 18.78 2ckc s ALA 2613CO -0.01 -3.19 0.27 -0.51 0.00 0.00 0.00 175.76 172.32 2ckc s ASP 2614N 4.03 2.45 0.00 0.00 1.01 -1.26 -5.00 116.67 117.90 2ckc s ASP 2614Ca 0.39 -2.57 0.09 0.00 0.71 0.00 0.00 52.55 51.18 2ckc s ASP 2614Cb -0.03 -0.47 -0.23 0.00 1.01 0.00 0.00 42.92 43.21 2ckc s ASP 2614CO -0.08 -0.25 0.84 -0.37 0.21 0.00 0.00 175.17 175.52 2ckc h VAL 2615N 4.88 1.10 0.00 -1.27 -1.51 -2.02 -3.48 116.25 113.94 2ckc h VAL 2615Ca 0.14 -2.90 0.00 0.00 -1.23 0.00 0.00 66.70 62.71 2ckc h VAL 2615Cb 0.94 2.56 0.00 0.00 -2.13 0.00 0.00 31.29 32.66 2ckc h VAL 2615CO 0.32 0.65 0.00 0.18 -1.23 0.00 0.00 177.57 177.49 2ckc n LEU 2616N -3.17 0.00 -4.49 4.19 7.99 -1.26 -4.67 117.00 115.60 2ckc n LEU 2616Ca -0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 56.01 55.45 2ckc n LEU 2616Cb 1.02 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 44.30 2ckc n LEU 2616CO 0.46 0.00 1.02 0.12 -1.51 0.00 0.00 177.39 177.48 2ckc s PHE 2617N 0.00 2.70 -0.29 -1.77 5.36 -1.26 -4.96 117.98 117.75 2ckc s PHE 2617Ca 0.00 -0.75 -0.05 0.00 -0.96 0.00 0.00 56.93 55.17 2ckc s PHE 2617Cb 0.00 -4.42 0.02 0.00 -0.34 0.00 0.00 43.02 38.28 2ckc s PHE 2617CO 0.00 -1.73 0.05 0.45 -1.46 0.00 0.00 175.22 172.53 2ckc s SER 2618N 3.92 4.98 -0.13 6.13 0.15 -1.26 -4.88 113.70 122.61 2ckc s SER 2618Ca 0.32 -0.84 0.15 0.00 0.70 0.00 0.00 55.95 56.27 2ckc s SER 2618Cb -0.09 -1.83 0.32 0.00 -1.71 0.00 0.00 66.02 62.71 2ckc s SER 2618CO 0.02 -0.20 1.16 -1.20 1.20 0.00 0.00 173.24 174.22 2ckc n SER 2619N 4.80 1.67 0.09 5.45 7.64 -1.26 -4.74 113.62 127.27 2ckc n SER 2619Ca -0.14 -3.14 -0.18 0.00 1.01 0.00 0.00 58.87 56.41 2ckc n SER 2619Cb 0.47 -0.43 -0.11 0.00 -1.01 0.00 0.00 64.21 63.13 2ckc n SER 2619CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2ckc h PHE 2620N 0.50 0.78 -0.04 1.43 0.04 -2.03 -3.26 116.94 114.36 2ckc h PHE 2620Ca -0.03 -0.49 -0.13 0.00 2.80 0.00 0.00 57.97 60.12 2ckc h PHE 2620Cb 1.15 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.23 2ckc h PHE 2620CO 0.32 1.35 -0.55 -0.56 -0.60 0.00 0.00 178.31 178.26 2ckc h GLN 2621N 0.21 0.12 0.00 1.51 -0.00 -2.02 -3.58 115.11 111.35 2ckc h GLN 2621Ca -0.15 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.43 2ckc h GLN 2621Cb 1.85 0.01 0.00 0.00 -0.00 0.00 0.00 27.48 29.34 2ckc h GLN 2621CO 0.21 0.64 0.00 1.17 -0.00 0.00 0.00 178.83 180.85