#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 5.54 0.53 -1.43 1.01 -1.26 -4.92 116.67 116.14 2ckc s ASP 2564Ca 0.00 1.53 0.19 0.00 0.71 0.00 0.00 52.55 54.98 2ckc s ASP 2564Cb 0.00 -2.44 1.36 0.00 1.01 0.00 0.00 42.92 42.85 2ckc s ASP 2564CO 0.00 -1.33 2.13 -0.65 0.21 0.00 0.00 175.17 175.53 2ckc h PRO 2565N -0.64 0.00 0.00 8.23 0.11 -1.99 -1.09 132.00 136.62 2ckc h PRO 2565Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2ckc h PRO 2565Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2ckc h PRO 2565CO 0.59 0.00 -0.56 -3.47 -0.21 0.00 0.00 178.00 174.34 2ckc n ASP 2566N -4.41 0.55 -4.71 -2.05 2.03 -1.26 -1.77 116.55 104.93 2ckc n ASP 2566Ca -0.01 -0.30 -0.42 0.00 0.52 0.00 0.00 54.79 54.58 2ckc n ASP 2566Cb 0.19 0.33 -0.03 0.00 -0.72 0.00 0.00 41.12 40.88 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 -3.01 2.33 0.29 5.18 2.01 -0.41 -4.64 115.64 117.38 2ckc s THR 2567Ca 0.10 0.11 -0.28 0.00 0.31 0.00 0.00 61.69 61.93 2ckc s THR 2567Cb 0.17 -3.07 -0.09 0.00 0.01 0.00 0.00 72.50 69.52 2ckc s THR 2567CO 0.72 0.01 0.95 -0.13 -0.69 0.00 0.00 174.62 175.48 2ckc s ARG 2568N 1.78 4.70 -0.36 4.92 1.81 -1.26 -1.01 118.95 129.52 2ckc s ARG 2568Ca 0.76 1.43 0.02 0.00 -1.72 0.00 0.00 55.73 56.22 2ckc s ARG 2568Cb -0.47 -3.02 0.10 0.00 -0.45 0.00 0.00 34.95 31.11 2ckc s ARG 2568CO 0.33 0.37 0.10 0.42 -0.68 0.00 0.00 175.30 175.84 2ckc s ILE 2569N -1.41 2.57 -0.25 1.52 -1.09 0.33 -4.90 121.20 117.97 2ckc s ILE 2569Ca 0.46 -2.29 -0.28 0.00 -2.23 0.00 0.00 60.65 56.30 2ckc s ILE 2569Cb -0.23 -2.85 -0.04 0.00 -1.58 0.00 0.00 42.46 37.77 2ckc s ILE 2569CO 0.28 -0.63 1.98 -2.84 -1.23 0.00 0.00 174.94 172.50 2ckc s PRO 2570N 0.94 3.34 0.26 2.79 0.02 -1.26 -3.81 135.00 137.28 2ckc s PRO 2570Ca 0.10 1.79 0.01 0.00 0.02 0.00 0.00 61.00 62.93 2ckc s PRO 2570Cb -0.20 -4.26 -0.05 0.00 0.02 0.00 0.00 34.50 30.01 2ckc s PRO 2570CO -0.07 -1.85 0.10 0.14 -0.33 0.00 0.00 177.00 174.99 2ckc s VAL 2571N 7.19 0.55 -0.07 3.83 -7.23 -0.64 -1.51 120.40 122.51 2ckc s VAL 2571Ca 0.89 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.95 2ckc s VAL 2571Cb -0.29 -2.64 0.02 0.00 0.56 0.00 0.00 36.38 34.04 2ckc s VAL 2571CO 0.34 0.00 0.27 -0.51 -0.31 0.00 0.00 175.10 174.90 2ckc s ILE 2572N -3.75 0.02 -0.23 -0.62 2.07 -0.45 -1.22 121.20 117.03 2ckc s ILE 2572Ca 0.38 -0.20 -0.16 0.00 -1.41 0.00 0.00 60.65 59.25 2ckc s ILE 2572Cb 0.08 -0.46 -0.04 0.00 0.13 0.00 0.00 42.46 42.17 2ckc s ILE 2572CO 0.14 -0.11 0.43 0.21 -1.91 0.00 0.00 174.94 173.70 2ckc s ASN 2573N -0.41 6.41 0.12 4.50 3.84 0.70 -0.36 114.94 129.75 2ckc s ASN 2573Ca -0.05 0.49 -0.05 0.00 0.21 0.00 0.00 52.86 53.46 2ckc s ASN 2573Cb -0.03 -2.25 -0.13 0.00 -0.55 0.00 0.00 41.25 38.29 2ckc s ASN 2573CO 0.02 -0.16 1.27 -0.07 -2.79 0.00 0.00 177.10 175.37 2ckc h LEU 2574N 8.13 0.54 -0.14 3.21 3.38 -1.80 0.34 115.31 128.97 2ckc h LEU 2574Ca -0.33 -0.45 -0.17 0.00 0.09 0.00 0.00 57.88 57.02 2ckc h LEU 2574Cb 1.16 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.75 2ckc h LEU 2574CO 0.70 1.27 -0.56 -0.33 0.09 0.00 0.00 178.44 179.60 2ckc h GLU 2575N 0.21 0.62 0.00 1.13 4.39 -1.94 -3.33 114.58 115.65 2ckc h GLU 2575Ca -0.09 -0.49 -0.11 0.00 0.34 0.00 0.00 59.36 59.01 2ckc h GLU 2575Cb 1.65 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.38 2ckc h GLU 2575CO 0.17 1.11 -0.62 0.22 -1.16 0.00 0.00 179.01 178.73 2ckc h ASP 2576N 0.27 0.00 0.00 1.42 1.82 -1.93 -3.48 116.42 114.52 2ckc h ASP 2576Ca -0.03 -0.74 0.00 0.00 -0.39 0.00 0.00 57.03 55.87 2ckc h ASP 2576Cb 1.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.21 2ckc h ASP 2576CO 0.12 1.23 0.00 0.61 -1.61 0.00 0.00 179.24 179.59 2ckc n GLY 2577N 1.53 0.94 3.63 -0.78 0.00 0.10 -5.06 105.19 105.54 2ckc n GLY 2577Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 3.13 -0.09 2.61 2.01 -1.20 -4.82 115.64 115.29 2ckc s THR 2578Ca 0.00 0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.19 2ckc s THR 2578Cb 0.00 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.37 2ckc s THR 2578CO 0.00 -0.06 -0.23 -0.60 -0.69 0.00 0.00 174.62 173.04 2ckc s ARG 2579N 5.37 2.88 -0.28 4.92 3.52 -1.26 -0.21 118.95 133.90 2ckc s ARG 2579Ca 0.91 -0.84 -0.02 0.00 -0.13 0.00 0.00 55.73 55.65 2ckc s ARG 2579Cb -0.35 -2.20 0.09 0.00 -1.56 0.00 0.00 34.95 30.93 2ckc s ARG 2579CO 0.36 0.18 0.09 -0.51 -0.81 0.00 0.00 175.30 174.61 2ckc s LEU 2580N 0.34 1.62 0.13 -0.88 1.43 -0.35 -5.00 118.68 115.97 2ckc s LEU 2580Ca -0.18 -1.36 0.07 0.00 -1.03 0.00 0.00 54.13 51.64 2ckc s LEU 2580Cb -0.17 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 2ckc s LEU 2580CO 0.08 -0.39 -0.16 0.68 0.23 0.00 0.00 176.35 176.79 2ckc s VAL 2581N 1.78 1.49 0.00 -1.59 -7.23 -1.26 -1.63 120.40 111.95 2ckc s VAL 2581Ca 0.07 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 2ckc s VAL 2581Cb -0.17 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.15 2ckc s VAL 2581CO -0.23 -0.37 0.00 0.61 -0.31 0.00 0.00 175.10 174.80 2ckc n GLY 2582N 0.50 0.78 0.16 2.32 0.00 -1.26 -2.83 105.19 104.85 2ckc n GLY 2582Ca -0.15 -0.64 0.04 0.00 0.00 0.00 0.00 46.02 45.27 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 5.08 -1.99 -3.11 114.58 116.17 2ckc h GLU 2583Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 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 0.40 0.00 -0.25 -1.00 0.00 0.00 179.01 178.16 2ckc n ASP 2584N -3.21 0.07 -4.78 1.42 8.00 -1.13 -4.80 116.55 112.12 2ckc n ASP 2584Ca 0.02 0.51 -0.36 0.00 0.71 0.00 0.00 54.79 55.67 2ckc n ASP 2584Cb 0.69 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 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 -3.01 2.94 0.82 2.24 0.00 -1.18 -4.52 121.76 119.04 2ckc s ALA 2585Ca 0.13 0.75 -0.10 0.00 0.00 0.00 0.00 51.96 52.73 2ckc s ALA 2585Cb 0.17 -3.31 0.09 0.00 0.00 0.00 0.00 23.12 20.07 2ckc s ALA 2585CO 0.49 -0.43 1.11 -1.25 0.00 0.00 0.00 175.76 175.69 2ckc s PRO 2586N -2.88 1.83 0.45 0.00 0.04 -1.25 -4.62 135.00 128.58 2ckc s PRO 2586Ca 0.64 1.31 -0.18 0.00 0.04 0.00 0.00 61.00 62.81 2ckc s PRO 2586Cb -0.22 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 2ckc s PRO 2586CO 0.27 -1.98 0.93 0.15 0.04 0.00 0.00 177.00 176.40 2ckc s LYS 2587N -4.79 4.07 0.23 4.56 1.02 -1.26 -0.51 119.74 123.05 2ckc s LYS 2587Ca 0.63 0.96 -0.06 0.00 0.02 0.00 0.00 55.97 57.52 2ckc s LYS 2587Cb -0.19 -2.20 0.35 0.00 -0.52 0.00 0.00 37.83 35.27 2ckc s LYS 2587CO 0.56 -0.10 1.77 -0.97 -0.92 0.00 0.00 175.35 175.69 2ckc h ASN 2588N 1.53 0.42 0.12 2.83 -0.73 -0.24 0.24 115.58 119.75 2ckc h ASN 2588Ca -0.48 0.07 -0.02 0.00 1.87 0.00 0.00 56.30 57.74 2ckc h ASN 2588Cb 1.18 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.77 2ckc h ASN 2588CO 0.62 0.23 -0.11 0.07 -0.37 0.00 0.00 177.43 177.87 2ckc h LYS 2589N 0.57 0.00 0.00 6.67 2.10 -1.72 -2.39 116.57 121.80 2ckc h LYS 2589Ca 0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 2ckc h LYS 2589Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2ckc h LYS 2589CO -0.29 0.11 -1.29 -0.25 -2.00 0.00 0.00 179.45 175.73 2ckc n ASP 2590N -4.34 0.56 -0.15 7.07 9.92 -0.12 -4.20 116.55 125.28 2ckc n ASP 2590Ca -0.03 0.12 -0.03 0.00 -0.53 0.00 0.00 54.79 54.32 2ckc n ASP 2590Cb 0.19 0.96 0.04 0.00 -0.64 0.00 0.00 41.12 41.66 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 0.00 -0.33 -0.81 0.64 7.12 -0.07 -0.16 115.31 121.70 2ckc h LEU 2591Ca 0.00 0.13 0.04 0.00 0.13 0.00 0.00 57.88 58.18 2ckc h LEU 2591Cb 0.94 0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 41.27 2ckc h LEU 2591CO 0.00 -0.12 0.51 -0.37 -0.13 0.00 0.00 178.44 178.34 2ckc h VAL 2592N 0.05 1.11 -0.39 1.05 -1.51 -1.73 -1.18 116.25 113.65 2ckc h VAL 2592Ca 0.23 -0.34 -0.10 0.00 -1.23 0.00 0.00 66.70 65.26 2ckc h VAL 2592Cb 0.35 0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 29.53 2ckc h VAL 2592CO -0.44 0.18 -0.16 -0.33 -1.23 0.00 0.00 177.57 175.59 2ckc h GLU 2593N 0.99 0.79 -0.22 5.19 5.08 -1.48 -2.50 114.58 122.43 2ckc h GLU 2593Ca 0.33 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2ckc h GLU 2593Cb 0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2ckc h GLU 2593CO -0.12 0.96 0.10 2.35 -1.00 0.00 0.00 179.01 181.29 2ckc h TRP 2594N 0.59 0.28 -0.20 4.33 7.01 -0.52 -1.65 115.95 125.80 2ckc h TRP 2594Ca 0.09 -0.00 -0.14 0.00 2.11 0.00 0.00 58.89 60.95 2ckc h TRP 2594Cb 0.71 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.66 2ckc h TRP 2594CO 0.06 0.22 -0.48 -0.07 -2.79 0.00 0.00 178.44 175.38 2ckc h LEU 2595N 0.30 0.56 -1.27 0.65 4.07 -0.79 0.21 115.31 119.04 2ckc h LEU 2595Ca 0.08 -0.27 -0.08 0.00 0.08 0.00 0.00 57.88 57.69 2ckc h LEU 2595Cb 0.04 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 2ckc h LEU 2595CO -0.01 0.95 -0.34 0.11 -1.08 0.00 0.00 178.44 178.06 2ckc h LYS 2596N 0.41 0.04 0.12 1.13 6.56 -1.07 -2.99 116.57 120.76 2ckc h LYS 2596Ca 0.02 -0.01 -0.28 0.00 -1.06 0.00 0.00 60.65 59.32 2ckc h LYS 2596Cb 0.99 -0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.66 2ckc h LYS 2596CO 0.09 0.38 -1.21 -0.07 -2.06 0.00 0.00 179.45 176.58 2ckc h LEU 2597N 0.03 0.56 -6.89 2.94 4.07 -1.04 -3.41 115.31 111.58 2ckc h LEU 2597Ca 0.00 -0.56 -0.61 0.00 0.08 0.00 0.00 57.88 56.80 2ckc h LEU 2597Cb 0.63 -0.18 -0.40 0.00 1.08 0.00 0.00 40.66 41.78 2ckc h LEU 2597CO 0.05 1.41 -0.73 -1.00 -1.08 0.00 0.00 178.44 177.08 2ckc s HIS 2598N -2.83 2.45 -0.49 1.13 3.76 0.69 -4.89 115.29 115.11 2ckc s HIS 2598Ca -0.06 -2.81 0.25 0.00 -0.15 0.00 0.00 55.06 52.29 2ckc s HIS 2598Cb 0.07 -2.02 0.96 0.00 1.11 0.00 0.00 32.58 32.71 2ckc s HIS 2598CO 0.90 -0.70 1.74 -1.00 -0.85 0.00 0.00 174.74 174.83 2ckc h PRO 2599N 5.90 0.00 -0.71 8.40 0.13 -1.79 -2.90 132.00 141.03 2ckc h PRO 2599Ca 0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2ckc h PRO 2599Cb 0.85 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 2ckc h PRO 2599CO 0.56 0.00 0.01 0.25 -0.23 0.00 0.00 178.00 178.59 2ckc n THR 2600N -2.32 1.99 -2.56 1.56 -2.24 -1.26 -4.91 114.28 104.54 2ckc n THR 2600Ca 0.03 -1.00 -0.23 0.00 -2.27 0.00 0.00 64.05 60.58 2ckc n THR 2600Cb 0.28 -0.35 0.07 0.00 -2.10 0.00 0.00 70.33 68.23 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 -2.26 2.37 0.11 4.78 1.13 -1.09 -2.50 117.35 119.88 2ckc s TYR 2601Ca 0.39 -0.05 -0.10 0.00 -1.41 0.00 0.00 57.07 55.90 2ckc s TYR 2601Cb 0.30 -2.91 0.00 0.00 -1.10 0.00 0.00 41.96 38.25 2ckc s TYR 2601CO 0.11 -1.28 0.24 -0.08 -2.51 0.00 0.00 175.55 172.03 2ckc s THR 2602N -2.98 0.12 -0.22 -3.49 -1.32 0.52 -4.86 115.64 103.41 2ckc s THR 2602Ca 0.61 -1.15 -0.27 0.00 -1.21 0.00 0.00 61.69 59.68 2ckc s THR 2602Cb -0.08 -1.42 -0.00 0.00 -1.51 0.00 0.00 72.50 69.48 2ckc s THR 2602CO 0.42 -0.54 0.93 -0.69 -2.21 0.00 0.00 174.62 172.53 2ckc s VAL 2603N -3.88 4.77 -0.01 5.08 1.01 -1.26 -1.34 120.40 124.78 2ckc s VAL 2603Ca 0.07 1.80 -0.14 0.00 0.00 0.00 0.00 61.98 63.71 2ckc s VAL 2603Cb 0.04 -4.21 -0.34 0.00 0.00 0.00 0.00 36.38 31.87 2ckc s VAL 2603CO -0.09 -0.10 0.84 -0.78 0.00 0.00 0.00 175.10 174.98 2ckc h ASP 2604N 7.49 0.75 -3.93 3.32 1.82 -1.60 -3.46 116.42 120.81 2ckc h ASP 2604Ca -0.23 -0.93 -0.53 0.00 -0.39 0.00 0.00 57.03 54.95 2ckc h ASP 2604Cb 1.09 -0.24 0.09 0.00 0.68 0.00 0.00 39.33 40.94 2ckc h ASP 2604CO 0.91 1.75 0.66 0.00 -1.61 0.00 0.00 179.24 180.95 2ckc s MET 2605N -2.59 4.08 0.00 0.28 0.23 -0.57 -4.89 119.30 115.84 2ckc s MET 2605Ca -0.12 2.28 0.27 0.00 -1.03 0.00 0.00 55.69 57.09 2ckc s MET 2605Cb 0.05 -2.88 1.32 0.00 -1.53 0.00 0.00 34.83 31.79 2ckc s MET 2605CO 0.90 -0.44 1.91 -0.35 -2.03 0.00 0.00 175.02 175.01 2ckc n PRO 2606N 0.36 0.33 -0.95 3.16 -0.04 -1.26 -4.85 135.00 131.75 2ckc n PRO 2606Ca 0.02 0.03 -0.31 0.00 -0.04 0.00 0.00 63.50 63.21 2ckc n PRO 2606Cb 0.42 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.52 2ckc n PRO 2606CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ckc s SER 2607N -2.63 3.38 0.69 3.54 0.01 -1.26 -4.99 113.70 112.44 2ckc s SER 2607Ca 0.24 1.91 -0.11 0.00 1.31 0.00 0.00 55.95 59.30 2ckc s SER 2607Cb 0.18 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2ckc s SER 2607CO 0.42 -2.76 1.06 -0.72 0.41 0.00 0.00 173.24 171.64 2ckc s TYR 2608N -2.76 3.17 -0.06 2.43 1.13 -1.26 -4.99 117.35 115.01 2ckc s TYR 2608Ca 0.64 1.41 -0.30 0.00 -1.41 0.00 0.00 57.07 57.41 2ckc s TYR 2608Cb -0.20 -2.86 -0.03 0.00 -1.10 0.00 0.00 41.96 37.76 2ckc s TYR 2608CO 0.58 -1.17 1.18 0.08 -2.51 0.00 0.00 175.55 173.71 2ckc s VAL 2609N -3.06 4.31 0.47 -3.49 1.01 -1.26 -4.99 120.40 113.39 2ckc s VAL 2609Ca 0.58 1.63 -0.22 0.00 0.00 0.00 0.00 61.98 63.97 2ckc s VAL 2609Cb -0.14 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.09 2ckc s VAL 2609CO 0.55 -0.00 0.70 -0.81 0.00 0.00 0.00 175.10 175.54 2ckc n PRO 2610N 5.18 0.79 -1.53 2.72 -0.04 -1.26 -4.77 135.00 136.09 2ckc n PRO 2610Ca 0.11 0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 63.43 2ckc n PRO 2610Cb 0.46 -1.75 -0.02 0.00 -0.04 0.00 0.00 33.50 32.16 2ckc n PRO 2610CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2ckc n LYS 2611N 0.19 2.39 -3.78 0.54 5.02 -1.26 -4.73 118.16 116.54 2ckc n LYS 2611Ca 0.11 -2.34 -0.13 0.00 -2.02 0.00 0.00 58.31 53.93 2ckc n LYS 2611Cb 0.42 -3.16 -0.13 0.00 -0.02 0.00 0.00 35.03 32.14 2ckc n LYS 2611CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2ckc s ASN 2612N 3.81 -0.15 -0.72 4.39 -0.87 -1.26 -5.10 114.94 115.04 2ckc s ASN 2612Ca 0.51 0.34 -0.13 0.00 -1.57 0.00 0.00 52.86 52.00 2ckc s ASN 2612Cb 0.14 0.28 0.19 0.00 -0.02 0.00 0.00 41.25 41.83 2ckc s ASN 2612CO -0.02 -0.11 0.65 0.00 -2.57 0.00 0.00 177.10 175.05 2ckc s ALA 2613N 0.68 3.89 -0.18 0.60 0.00 -1.26 -4.81 121.76 120.67 2ckc s ALA 2613Ca -0.05 -3.07 0.04 0.00 0.00 0.00 0.00 51.96 48.88 2ckc s ALA 2613Cb -0.06 -3.34 -0.22 0.00 0.00 0.00 0.00 23.12 19.49 2ckc s ALA 2613CO -0.03 -2.17 0.12 -3.47 0.00 0.00 0.00 175.76 170.20 2ckc n ASP 2614N 4.32 1.47 -4.20 0.00 2.03 -1.26 -4.47 116.55 114.43 2ckc n ASP 2614Ca 0.05 0.06 -0.43 0.00 0.52 0.00 0.00 54.79 54.99 2ckc n ASP 2614Cb 0.44 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 2ckc n ASP 2614CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2ckc n VAL 2615N -3.19 4.02 -4.04 5.18 3.14 -1.26 -4.89 118.33 117.29 2ckc n VAL 2615Ca -0.35 -4.12 -0.31 0.00 -2.96 0.00 0.00 64.34 56.59 2ckc n VAL 2615Cb 1.05 -2.44 -0.16 0.00 -1.06 0.00 0.00 33.84 31.23 2ckc n VAL 2615CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 2ckc s LEU 2616N 2.03 2.26 0.00 6.55 2.96 -1.26 -4.95 118.68 126.26 2ckc s LEU 2616Ca 0.46 -0.81 0.26 0.00 -0.22 0.00 0.00 54.13 53.83 2ckc s LEU 2616Cb 0.05 -1.32 0.69 0.00 0.50 0.00 0.00 46.19 46.12 2ckc s LEU 2616CO 0.00 -0.10 1.54 0.49 -1.32 0.00 0.00 176.35 176.97 2ckc n PHE 2617N 4.66 0.00 -2.04 5.38 3.01 -1.26 -4.71 117.46 122.49 2ckc n PHE 2617Ca -0.17 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.01 2ckc n PHE 2617Cb 0.48 -0.23 -0.05 0.00 -0.01 0.00 0.00 39.48 39.67 2ckc n PHE 2617CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2ckc s SER 2618N -2.82 5.15 0.23 4.37 0.01 -1.26 -4.03 113.70 115.34 2ckc s SER 2618Ca 0.16 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2ckc s SER 2618Cb 0.18 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2ckc s SER 2618CO 0.62 -2.70 0.00 -0.24 0.41 0.00 0.00 173.24 171.33 2ckc n SER 2619N 13.84 -0.26 -4.62 2.44 2.88 -1.26 -4.89 113.62 121.75 2ckc n SER 2619Ca 0.37 0.40 -0.41 0.00 -1.33 0.00 0.00 58.87 57.90 2ckc n SER 2619Cb 0.48 0.43 -0.06 0.00 -0.75 0.00 0.00 64.21 64.31 2ckc n SER 2619CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2ckc s PHE 2620N -1.76 3.26 -0.40 0.66 0.08 -1.26 -4.23 117.98 114.33 2ckc s PHE 2620Ca 0.00 0.84 -0.07 0.00 0.12 0.00 0.00 56.93 57.82 2ckc s PHE 2620Cb 0.00 -2.98 0.01 0.00 -0.57 0.00 0.00 43.02 39.48 2ckc s PHE 2620CO 0.00 -0.41 0.47 0.94 -0.10 0.00 0.00 175.22 176.12 2ckc n GLN 2621N 5.89 -1.47 0.00 0.44 7.27 -1.26 -5.11 117.38 123.14 2ckc n GLN 2621Ca 0.01 1.53 0.00 0.00 0.07 0.00 0.00 57.00 58.62 2ckc n GLN 2621Cb 0.48 -4.62 0.00 0.00 2.41 0.00 0.00 30.24 28.51 2ckc n GLN 2621CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49