#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 6.10 0.60 -1.43 1.01 -1.26 -4.88 116.67 116.80 2ckc s ASP 2564Ca 0.00 2.19 0.33 0.00 0.71 0.00 0.00 52.55 55.78 2ckc s ASP 2564Cb 0.00 -2.59 1.90 0.00 1.01 0.00 0.00 42.92 43.24 2ckc s ASP 2564CO 0.00 -0.96 2.24 1.55 0.21 0.00 0.00 175.17 178.22 2ckc h PRO 2565N 1.75 0.00 0.00 8.23 0.13 -1.98 -1.52 132.00 138.60 2ckc h PRO 2565Ca -0.49 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 2ckc h PRO 2565Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2ckc h PRO 2565CO 0.59 0.02 -0.89 0.22 -0.23 0.00 0.00 178.00 177.72 2ckc h ASP 2566N 0.00 0.00 -2.51 1.44 3.58 -1.94 -1.38 116.42 115.62 2ckc h ASP 2566Ca -0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 2ckc h ASP 2566Cb 0.08 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.20 2ckc h ASP 2566CO 0.00 0.68 0.79 0.41 -2.88 0.00 0.00 179.24 178.24 2ckc n THR 2567N -3.18 0.30 -3.16 2.25 -1.04 -0.57 -4.53 114.28 104.35 2ckc n THR 2567Ca -0.02 -0.08 -0.37 0.00 -2.04 0.00 0.00 64.05 61.54 2ckc n THR 2567Cb 0.83 -1.62 -0.06 0.00 -1.82 0.00 0.00 70.33 67.66 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 0.52 4.27 -0.36 -2.82 1.81 -1.26 0.12 118.95 121.24 2ckc s ARG 2568Ca 0.75 0.85 -0.06 0.00 -1.72 0.00 0.00 55.73 55.55 2ckc s ARG 2568Cb -0.63 -3.07 0.06 0.00 -0.45 0.00 0.00 34.95 30.86 2ckc s ARG 2568CO 0.41 0.51 0.13 0.42 -0.68 0.00 0.00 175.30 176.09 2ckc s ILE 2569N -1.32 3.67 -0.52 1.52 -1.09 0.49 -4.71 121.20 119.24 2ckc s ILE 2569Ca 0.37 -1.36 -0.27 0.00 -2.23 0.00 0.00 60.65 57.16 2ckc s ILE 2569Cb -0.19 -3.18 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 2ckc s ILE 2569CO 0.21 -0.30 1.93 -2.16 -1.23 0.00 0.00 174.94 173.39 2ckc s PRO 2570N 1.35 2.73 0.23 2.79 0.04 -1.26 -3.92 135.00 136.95 2ckc s PRO 2570Ca 0.00 0.95 0.04 0.00 0.04 0.00 0.00 61.00 62.03 2ckc s PRO 2570Cb -0.21 -4.37 -0.05 0.00 0.04 0.00 0.00 34.50 29.91 2ckc s PRO 2570CO 0.01 -2.59 -0.01 0.14 0.04 0.00 0.00 177.00 174.59 2ckc s VAL 2571N 9.00 1.07 -0.02 -0.36 -7.23 -0.71 -2.09 120.40 120.07 2ckc s VAL 2571Ca 0.75 -2.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.87 2ckc s VAL 2571Cb -0.16 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.46 2ckc s VAL 2571CO 0.25 -0.35 0.04 -0.51 -0.31 0.00 0.00 175.10 174.22 2ckc s ILE 2572N -3.39 -0.00 -0.37 -0.62 2.07 0.45 -0.55 121.20 118.79 2ckc s ILE 2572Ca 0.28 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.37 2ckc s ILE 2572Cb 0.05 -0.07 0.00 0.00 0.13 0.00 0.00 42.46 42.58 2ckc s ILE 2572CO 0.08 0.00 0.36 0.21 -1.91 0.00 0.00 174.94 173.69 2ckc s ASN 2573N 0.03 6.16 0.52 4.50 2.47 0.74 -0.22 114.94 129.15 2ckc s ASN 2573Ca -0.00 -0.45 0.31 0.00 0.42 0.00 0.00 52.86 53.14 2ckc s ASN 2573Cb -0.00 -2.19 1.32 0.00 -1.45 0.00 0.00 41.25 38.93 2ckc s ASN 2573CO 0.00 -0.41 1.98 -0.07 -3.72 0.00 0.00 177.10 174.88 2ckc h LEU 2574N 8.79 0.00 -0.12 3.21 3.38 -1.86 0.23 115.31 128.95 2ckc h LEU 2574Ca -0.29 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.45 2ckc h LEU 2574Cb 1.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.90 2ckc h LEU 2574CO 0.72 0.08 -0.89 -0.33 0.09 0.00 0.00 178.44 178.11 2ckc h GLU 2575N 0.00 0.71 0.00 1.13 4.39 -1.92 -3.31 114.58 115.57 2ckc h GLU 2575Ca -0.00 -0.65 -0.27 0.00 0.34 0.00 0.00 59.36 58.78 2ckc h GLU 2575Cb 0.52 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 29.29 2ckc h GLU 2575CO 0.01 1.25 -1.78 -0.25 -1.16 0.00 0.00 179.01 177.09 2ckc n ASP 2576N -3.88 0.67 0.00 1.42 8.00 -1.09 -4.95 116.55 116.72 2ckc n ASP 2576Ca -0.08 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.73 2ckc n ASP 2576Cb 0.80 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 42.17 2ckc n ASP 2576CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ckc n GLY 2577N 1.54 0.52 3.56 0.44 0.00 0.80 -5.01 105.19 107.05 2ckc n GLY 2577Ca -0.18 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 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 4.85 -0.14 2.61 2.01 -1.07 -4.92 115.64 116.99 2ckc s THR 2578Ca 0.00 0.57 -0.00 0.00 0.31 0.00 0.00 61.69 62.56 2ckc s THR 2578Cb 0.00 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.38 2ckc s THR 2578CO 0.00 -0.38 -0.13 -0.60 -0.69 0.00 0.00 174.62 172.82 2ckc s ARG 2579N 2.80 3.37 -0.29 4.92 3.52 -1.26 -0.19 118.95 131.82 2ckc s ARG 2579Ca 0.25 -0.69 0.03 0.00 -0.13 0.00 0.00 55.73 55.19 2ckc s ARG 2579Cb -0.14 -2.64 0.08 0.00 -1.56 0.00 0.00 34.95 30.68 2ckc s ARG 2579CO 0.16 0.18 -0.02 -0.51 -0.81 0.00 0.00 175.30 174.29 2ckc s LEU 2580N 0.44 3.81 0.15 -0.88 1.43 0.28 -4.94 118.68 118.97 2ckc s LEU 2580Ca -0.10 -1.70 0.07 0.00 -1.03 0.00 0.00 54.13 51.37 2ckc s LEU 2580Cb -0.16 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 2ckc s LEU 2580CO 0.05 -0.29 -0.15 0.68 0.23 0.00 0.00 176.35 176.87 2ckc s VAL 2581N 1.09 1.53 0.00 -1.59 -7.23 -1.26 -1.73 120.40 111.20 2ckc s VAL 2581Ca 0.01 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 2ckc s VAL 2581Cb -0.19 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.01 2ckc s VAL 2581CO -0.08 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 174.88 2ckc n GLY 2582N 0.24 1.83 0.13 2.32 0.00 -1.26 -2.41 105.19 106.05 2ckc n GLY 2582Ca -0.13 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.87 114.58 115.44 2ckc h GLU 2583Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 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 -0.15 -0.44 0.07 0.00 0.00 179.01 178.49 2ckc h ASP 2584N 0.00 0.00 -4.04 3.06 3.32 -1.82 -3.46 116.42 113.48 2ckc h ASP 2584Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 2ckc h ASP 2584Cb 0.81 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.43 2ckc h ASP 2584CO 0.00 0.15 0.47 0.00 -1.72 0.00 0.00 179.24 178.14 2ckc s ALA 2585N -3.45 2.83 0.55 3.45 0.00 -1.09 -4.61 121.76 119.44 2ckc s ALA 2585Ca 0.03 0.92 -0.20 0.00 0.00 0.00 0.00 51.96 52.71 2ckc s ALA 2585Cb 0.08 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 2ckc s ALA 2585CO 0.63 -0.77 1.17 -1.25 0.00 0.00 0.00 175.76 175.54 2ckc s PRO 2586N -2.98 3.27 0.47 0.00 0.04 -1.25 -4.67 135.00 129.87 2ckc s PRO 2586Ca 0.68 1.72 -0.20 0.00 0.04 0.00 0.00 61.00 63.24 2ckc s PRO 2586Cb -0.28 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 2ckc s PRO 2586CO 0.32 -0.94 1.00 0.15 0.04 0.00 0.00 177.00 177.57 2ckc s LYS 2587N -3.23 3.98 0.38 4.56 1.02 -1.26 -0.38 119.74 124.81 2ckc s LYS 2587Ca 0.73 1.23 0.14 0.00 0.02 0.00 0.00 55.97 58.08 2ckc s LYS 2587Cb -0.27 -2.13 0.96 0.00 -0.52 0.00 0.00 37.83 35.87 2ckc s LYS 2587CO 0.30 -0.26 1.82 -0.97 -0.92 0.00 0.00 175.35 175.32 2ckc h ASN 2588N 1.64 0.55 -0.10 2.83 -1.24 0.21 0.18 115.58 119.64 2ckc h ASN 2588Ca -0.49 0.06 -0.11 0.00 0.71 0.00 0.00 56.30 56.48 2ckc h ASN 2588Cb 1.20 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 40.20 2ckc h ASN 2588CO 0.60 0.20 -0.27 0.07 -1.29 0.00 0.00 177.43 176.74 2ckc h LYS 2589N 0.54 0.56 -0.01 6.67 2.10 -1.54 -2.94 116.57 121.94 2ckc h LYS 2589Ca 0.52 -0.22 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 2ckc h LYS 2589Cb 1.11 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 2ckc h LYS 2589CO -0.26 0.78 -0.23 -0.25 -2.00 0.00 0.00 179.45 177.48 2ckc n ASP 2590N -4.10 1.62 0.04 7.07 9.92 0.22 -4.30 116.55 127.02 2ckc n ASP 2590Ca -0.00 -1.31 -0.11 0.00 -0.53 0.00 0.00 54.79 52.84 2ckc n ASP 2590Cb 0.43 0.18 -0.05 0.00 -0.64 0.00 0.00 41.12 41.05 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 2.17 -0.37 -1.28 0.64 5.85 -0.59 0.11 115.31 121.85 2ckc h LEU 2591Ca 0.00 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.88 2ckc h LEU 2591Cb 0.63 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 2ckc h LEU 2591CO 0.00 -0.18 0.55 -0.37 -0.34 0.00 0.00 178.44 178.10 2ckc h VAL 2592N -0.20 0.95 -0.18 1.05 -1.51 -1.75 0.78 116.25 115.39 2ckc h VAL 2592Ca 0.05 -0.27 -0.15 0.00 -1.23 0.00 0.00 66.70 65.10 2ckc h VAL 2592Cb 0.27 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.52 2ckc h VAL 2592CO -0.14 0.15 -0.46 -0.33 -1.23 0.00 0.00 177.57 175.55 2ckc h GLU 2593N 0.80 0.63 -0.39 5.19 4.39 -1.64 -2.60 114.58 120.96 2ckc h GLU 2593Ca 0.39 -0.44 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 2ckc h GLU 2593Cb 0.45 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 2ckc h GLU 2593CO -0.16 1.06 -0.00 2.35 -1.16 0.00 0.00 179.01 181.09 2ckc h TRP 2594N 0.30 0.64 -0.20 4.33 7.01 0.29 -1.90 115.95 126.42 2ckc h TRP 2594Ca -0.01 -0.07 -0.08 0.00 2.11 0.00 0.00 58.89 60.84 2ckc h TRP 2594Cb 1.07 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.94 2ckc h TRP 2594CO 0.09 0.62 -0.23 -0.07 -2.79 0.00 0.00 178.44 176.06 2ckc h LEU 2595N 0.58 0.36 -0.67 0.65 4.07 -0.80 0.12 115.31 119.63 2ckc h LEU 2595Ca 0.12 -0.11 -0.14 0.00 0.08 0.00 0.00 57.88 57.83 2ckc h LEU 2595Cb 0.37 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 2ckc h LEU 2595CO 0.01 0.60 -0.66 0.11 -1.08 0.00 0.00 178.44 177.42 2ckc h LYS 2596N 0.33 0.03 0.00 1.13 1.57 -1.00 -3.18 116.57 115.46 2ckc h LYS 2596Ca 0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2ckc h LYS 2596Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 2ckc h LYS 2596CO 0.04 0.68 -0.48 -0.07 -0.57 0.00 0.00 179.45 179.06 2ckc h LEU 2597N 0.02 0.00 -6.73 2.94 3.38 -0.58 -3.40 115.31 110.94 2ckc h LEU 2597Ca -0.01 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.36 2ckc h LEU 2597Cb 1.17 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.53 2ckc h LEU 2597CO 0.09 0.02 -0.81 -1.00 0.09 0.00 0.00 178.44 176.83 2ckc s HIS 2598N -3.27 1.72 -0.09 1.13 3.76 0.32 -4.95 115.29 113.92 2ckc s HIS 2598Ca 0.03 -2.40 0.31 0.00 -0.15 0.00 0.00 55.06 52.85 2ckc s HIS 2598Cb 0.07 -1.53 1.18 0.00 1.11 0.00 0.00 32.58 33.41 2ckc s HIS 2598CO 0.73 -0.77 1.89 -1.00 -0.85 0.00 0.00 174.74 174.74 2ckc h PRO 2599N 6.22 0.00 -0.71 8.40 0.13 -1.79 -2.89 132.00 141.37 2ckc h PRO 2599Ca 0.12 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.09 2ckc h PRO 2599Cb 0.90 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.94 2ckc h PRO 2599CO 0.44 0.00 0.20 0.25 -0.23 0.00 0.00 178.00 178.66 2ckc n THR 2600N -2.90 2.92 -2.38 1.56 -2.24 -1.26 -4.97 114.28 105.01 2ckc n THR 2600Ca 0.01 -1.56 -0.26 0.00 -2.27 0.00 0.00 64.05 59.97 2ckc n THR 2600Cb 0.31 -0.34 0.04 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 -2.94 3.14 -0.01 4.78 1.13 -1.09 -3.62 117.35 118.74 2ckc s TYR 2601Ca 0.56 0.54 -0.02 0.00 -1.41 0.00 0.00 57.07 56.73 2ckc s TYR 2601Cb 0.44 -2.84 0.00 0.00 -1.10 0.00 0.00 41.96 38.46 2ckc s TYR 2601CO 0.14 -0.96 0.04 0.99 -2.51 0.00 0.00 175.55 173.26 2ckc s THR 2602N -3.03 0.02 -0.16 -3.49 2.01 0.70 -4.91 115.64 106.79 2ckc s THR 2602Ca 0.55 -0.19 -0.27 0.00 0.31 0.00 0.00 61.69 62.10 2ckc s THR 2602Cb -0.11 -0.13 -0.01 0.00 0.01 0.00 0.00 72.50 72.26 2ckc s THR 2602CO 0.44 -0.11 0.89 -0.69 -0.69 0.00 0.00 174.62 174.47 2ckc s VAL 2603N -0.31 4.84 -0.04 3.82 1.01 -1.26 -0.41 120.40 128.05 2ckc s VAL 2603Ca -0.04 1.77 -0.22 0.00 0.00 0.00 0.00 61.98 63.49 2ckc s VAL 2603Cb -0.02 -4.19 -0.28 0.00 0.00 0.00 0.00 36.38 31.88 2ckc s VAL 2603CO 0.00 0.01 0.95 -0.78 0.00 0.00 0.00 175.10 175.28 2ckc h ASP 2604N 7.27 0.42 -3.14 3.32 1.82 -1.72 -3.43 116.42 120.95 2ckc h ASP 2604Ca -0.29 -0.89 -0.64 0.00 -0.39 0.00 0.00 57.03 54.82 2ckc h ASP 2604Cb 1.13 -0.13 -0.35 0.00 0.68 0.00 0.00 39.33 40.66 2ckc h ASP 2604CO 0.85 1.27 -0.85 -0.32 -1.61 0.00 0.00 179.24 178.58 2ckc s MET 2605N -2.69 2.69 0.00 0.28 1.75 -1.13 -5.01 119.30 115.19 2ckc s MET 2605Ca -0.14 -0.72 0.13 0.00 -1.25 0.00 0.00 55.69 53.71 2ckc s MET 2605Cb 0.01 -2.31 0.76 0.00 2.84 0.00 0.00 34.83 36.14 2ckc s MET 2605CO 0.81 -0.15 1.22 -0.35 -0.65 0.00 0.00 175.02 175.90 2ckc n PRO 2606N 4.48 0.38 -3.93 4.11 -0.04 -1.26 -4.69 135.00 134.05 2ckc n PRO 2606Ca -0.19 0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.13 2ckc n PRO 2606Cb 0.51 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 2ckc n PRO 2606CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ckc n SER 2607N -1.04 -0.83 -3.87 3.54 7.64 -1.26 -5.17 113.62 112.63 2ckc n SER 2607Ca 0.09 -2.89 -0.20 0.00 1.01 0.00 0.00 58.87 56.88 2ckc n SER 2607Cb 0.05 1.76 0.12 0.00 -1.01 0.00 0.00 64.21 65.12 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 -0.56 -3.31 -1.86 1.43 4.11 -1.26 -4.70 117.16 111.01 2ckc n TYR 2608Ca 0.05 -1.26 -0.42 0.00 -0.00 0.00 0.00 57.90 56.26 2ckc n TYR 2608Cb 0.54 -0.65 -0.03 0.00 -0.00 0.00 0.00 39.34 39.20 2ckc n TYR 2608CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2ckc s VAL 2609N -2.68 3.34 0.00 -3.48 0.11 -1.26 -4.90 120.40 111.53 2ckc s VAL 2609Ca 0.55 0.40 -0.32 0.00 -2.93 0.00 0.00 61.98 59.67 2ckc s VAL 2609Cb -0.03 -3.30 -0.11 0.00 -1.53 0.00 0.00 36.38 31.42 2ckc s VAL 2609CO 0.37 -0.08 1.91 -2.65 -3.33 0.00 0.00 175.10 171.32 2ckc n PRO 2610N 7.59 2.55 -3.46 1.54 -0.02 -1.26 -4.93 135.00 137.02 2ckc n PRO 2610Ca 0.20 0.94 -0.43 0.00 -2.02 0.00 0.00 63.50 62.18 2ckc n PRO 2610Cb 0.43 -2.83 -0.04 0.00 -0.02 0.00 0.00 33.50 31.04 2ckc n PRO 2610CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2ckc s LYS 2611N 3.95 3.38 -0.36 -0.52 -0.14 -1.26 -4.99 119.74 119.79 2ckc s LYS 2611Ca 0.89 -2.64 -0.09 0.00 -1.36 0.00 0.00 55.97 52.78 2ckc s LYS 2611Cb -0.55 -4.22 0.04 0.00 -1.68 0.00 0.00 37.83 31.41 2ckc s LYS 2611CO 0.45 -1.25 0.16 -0.80 -0.76 0.00 0.00 175.35 173.15 2ckc s ASN 2612N 1.49 5.53 0.19 2.83 0.02 -1.26 -4.99 114.94 118.74 2ckc s ASN 2612Ca 0.20 -1.09 0.00 0.00 -1.02 0.00 0.00 52.86 50.95 2ckc s ASN 2612Cb -0.12 -1.95 0.00 0.00 0.02 0.00 0.00 41.25 39.20 2ckc s ASN 2612CO -0.08 -0.36 0.00 0.00 0.02 0.00 0.00 177.10 176.68 2ckc n ALA 2613N 4.90 -1.67 -2.92 0.60 0.00 -1.26 -4.61 120.51 115.56 2ckc n ALA 2613Ca -0.12 0.20 -0.44 0.00 0.00 0.00 0.00 53.44 53.09 2ckc n ALA 2613Cb 0.45 -0.58 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 2ckc n ALA 2613CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ckc s ASP 2614N -4.46 6.36 -0.03 0.00 1.01 -1.26 -4.95 116.67 113.33 2ckc s ASP 2614Ca 0.00 -1.47 -0.00 0.00 0.71 0.00 0.00 52.55 51.78 2ckc s ASP 2614Cb 0.00 -2.40 0.03 0.00 1.01 0.00 0.00 42.92 41.56 2ckc s ASP 2614CO 0.00 -1.25 0.03 0.54 0.21 0.00 0.00 175.17 174.70 2ckc s VAL 2615N 3.34 0.04 -0.13 -1.27 0.11 -1.26 -5.12 120.40 116.10 2ckc s VAL 2615Ca 0.25 0.22 -0.15 0.00 -2.93 0.00 0.00 61.98 59.37 2ckc s VAL 2615Cb -0.13 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.48 2ckc s VAL 2615CO 0.02 0.14 0.36 -1.48 -3.33 0.00 0.00 175.10 170.81 2ckc s LEU 2616N 1.40 4.28 -1.42 2.54 -0.00 -1.26 -4.99 118.68 119.24 2ckc s LEU 2616Ca -0.05 0.65 -0.10 0.00 -0.00 0.00 0.00 54.13 54.64 2ckc s LEU 2616Cb -0.13 -2.49 0.06 0.00 -0.00 0.00 0.00 46.19 43.63 2ckc s LEU 2616CO -0.03 0.10 2.34 0.49 -0.00 0.00 0.00 176.35 179.25 2ckc n PHE 2617N 3.37 2.91 -2.19 3.48 3.72 -1.26 -4.48 117.46 123.00 2ckc n PHE 2617Ca -0.11 -2.92 -0.20 0.00 -0.05 0.00 0.00 57.45 54.18 2ckc n PHE 2617Cb 0.52 -2.22 -0.03 0.00 -0.94 0.00 0.00 39.48 36.81 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 3.96 -5.50 -4.56 4.37 7.64 -1.26 -4.90 113.62 113.38 2ckc n SER 2618Ca 0.57 0.14 -0.41 0.00 1.01 0.00 0.00 58.87 60.18 2ckc n SER 2618Cb 0.31 -4.66 -0.03 0.00 -1.01 0.00 0.00 64.21 58.82 2ckc n SER 2618CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ckc s SER 2619N -2.21 6.43 0.00 6.43 1.04 -1.26 -4.71 113.70 119.42 2ckc s SER 2619Ca 0.00 -1.25 0.15 0.00 0.48 0.00 0.00 55.95 55.32 2ckc s SER 2619Cb 0.00 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.59 2ckc s SER 2619CO 0.00 -1.57 0.85 0.49 0.98 0.00 0.00 173.24 173.99 2ckc n PHE 2620N 8.97 0.00 -0.11 5.02 3.72 -1.26 -4.53 117.46 129.27 2ckc n PHE 2620Ca 0.27 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.47 2ckc n PHE 2620Cb 0.51 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.96 2ckc n PHE 2620CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2ckc n GLN 2621N 0.15 0.55 0.00 -1.08 6.02 -1.26 -5.30 117.38 116.45 2ckc n GLN 2621Ca 0.07 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 2ckc n GLN 2621Cb 0.33 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 29.93 2ckc n GLN 2621CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41