#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 6.29 0.36 1.45 1.01 -1.26 -4.91 116.67 119.62 2ckc s ASP 2564Ca 0.00 1.99 0.27 0.00 0.71 0.00 0.00 52.55 55.51 2ckc s ASP 2564Cb 0.00 -2.57 1.26 0.00 1.01 0.00 0.00 42.92 42.62 2ckc s ASP 2564CO 0.00 -0.82 1.80 1.55 0.21 0.00 0.00 175.17 177.92 2ckc h PRO 2565N 1.63 0.00 0.00 8.23 0.13 -2.00 -1.32 132.00 138.67 2ckc h PRO 2565Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2ckc h PRO 2565Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ckc h PRO 2565CO 0.59 0.00 -0.68 -3.47 -0.23 0.00 0.00 178.00 174.22 2ckc n ASP 2566N -2.46 0.65 -4.70 1.44 2.03 -1.26 -0.71 116.55 111.54 2ckc n ASP 2566Ca 0.00 -0.44 -0.43 0.00 0.52 0.00 0.00 54.79 54.44 2ckc n ASP 2566Cb 0.16 0.49 -0.03 0.00 -0.72 0.00 0.00 41.12 41.02 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 -1.55 0.13 -2.68 5.18 -1.04 -0.50 -4.54 114.28 109.29 2ckc n THR 2567Ca 0.05 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.63 2ckc n THR 2567Cb 0.34 -1.96 -0.06 0.00 -1.82 0.00 0.00 70.33 66.83 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 1.71 4.80 -0.32 -2.82 1.81 -1.26 -0.53 118.95 122.33 2ckc s ARG 2568Ca 0.78 1.56 -0.01 0.00 -1.72 0.00 0.00 55.73 56.34 2ckc s ARG 2568Cb -0.53 -3.26 0.07 0.00 -0.45 0.00 0.00 34.95 30.78 2ckc s ARG 2568CO 0.35 0.44 0.04 0.42 -0.68 0.00 0.00 175.30 175.87 2ckc s ILE 2569N -1.13 2.93 -0.34 1.52 -1.09 0.14 -4.91 121.20 118.32 2ckc s ILE 2569Ca 0.42 -1.63 -0.28 0.00 -2.23 0.00 0.00 60.65 56.93 2ckc s ILE 2569Cb -0.27 -2.80 -0.02 0.00 -1.58 0.00 0.00 42.46 37.78 2ckc s ILE 2569CO 0.34 -0.27 1.83 -2.16 -1.23 0.00 0.00 174.94 173.45 2ckc s PRO 2570N 1.19 3.27 0.26 2.79 0.04 -1.26 -3.84 135.00 137.45 2ckc s PRO 2570Ca -0.01 1.41 0.03 0.00 0.04 0.00 0.00 61.00 62.48 2ckc s PRO 2570Cb -0.20 -4.22 -0.06 0.00 0.04 0.00 0.00 34.50 30.06 2ckc s PRO 2570CO -0.03 -1.93 0.02 0.14 0.04 0.00 0.00 177.00 175.24 2ckc s VAL 2571N 7.14 1.06 -0.06 -0.36 -7.23 -0.46 -0.82 120.40 119.66 2ckc s VAL 2571Ca 0.80 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.89 2ckc s VAL 2571Cb -0.22 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.22 2ckc s VAL 2571CO 0.33 -0.19 0.16 -0.51 -0.31 0.00 0.00 175.10 174.58 2ckc s ILE 2572N -3.40 -0.00 -0.34 -0.62 2.07 0.53 -0.62 121.20 118.81 2ckc s ILE 2572Ca 0.32 0.01 -0.16 0.00 -1.41 0.00 0.00 60.65 59.41 2ckc s ILE 2572Cb 0.07 -0.24 -0.01 0.00 0.13 0.00 0.00 42.46 42.41 2ckc s ILE 2572CO 0.12 0.00 0.39 0.21 -1.91 0.00 0.00 174.94 173.75 2ckc s ASN 2573N 0.14 6.21 0.18 4.50 2.47 0.75 -0.20 114.94 128.99 2ckc s ASN 2573Ca -0.00 -0.15 0.02 0.00 0.42 0.00 0.00 52.86 53.15 2ckc s ASN 2573Cb -0.02 -2.21 0.07 0.00 -1.45 0.00 0.00 41.25 37.64 2ckc s ASN 2573CO -0.00 -0.35 1.43 -0.07 -3.72 0.00 0.00 177.10 174.39 2ckc h LEU 2574N 8.79 0.30 0.08 3.21 3.38 -1.82 0.22 115.31 129.46 2ckc h LEU 2574Ca -0.30 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 2ckc h LEU 2574Cb 1.14 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2ckc h LEU 2574CO 0.70 0.97 -0.04 -0.33 0.09 0.00 0.00 178.44 179.83 2ckc h GLU 2575N 0.15 -0.10 0.00 1.13 3.07 -1.93 -3.19 114.58 113.71 2ckc h GLU 2575Ca -0.03 0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.72 2ckc h GLU 2575Cb 1.37 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.29 2ckc h GLU 2575CO 0.12 0.26 -0.56 -0.44 -1.40 0.00 0.00 179.01 177.00 2ckc h ASP 2576N -0.48 0.00 0.00 1.42 5.19 -1.93 -3.47 116.42 117.16 2ckc h ASP 2576Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2ckc h ASP 2576Cb 0.41 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.92 2ckc h ASP 2576CO 0.02 0.55 0.00 0.61 -3.12 0.00 0.00 179.24 177.30 2ckc n GLY 2577N 1.24 0.47 3.75 2.75 0.00 0.73 -5.02 105.19 109.12 2ckc n GLY 2577Ca 0.02 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 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 4.82 -0.06 2.61 -1.32 -1.03 -4.88 115.64 113.78 2ckc s THR 2578Ca 0.00 1.48 0.03 0.00 -1.21 0.00 0.00 61.69 61.99 2ckc s THR 2578Cb 0.00 -4.04 0.01 0.00 -1.51 0.00 0.00 72.50 66.95 2ckc s THR 2578CO 0.00 0.37 -0.15 -0.60 -2.21 0.00 0.00 174.62 172.04 2ckc s ARG 2579N -0.03 1.84 -0.31 7.08 3.52 -1.26 -0.18 118.95 129.62 2ckc s ARG 2579Ca 0.36 -0.52 0.01 0.00 -0.13 0.00 0.00 55.73 55.45 2ckc s ARG 2579Cb -0.19 -1.52 0.09 0.00 -1.56 0.00 0.00 34.95 31.77 2ckc s ARG 2579CO 0.20 0.11 0.07 -0.51 -0.81 0.00 0.00 175.30 174.36 2ckc s LEU 2580N 0.42 2.98 0.24 -0.88 1.43 0.21 -4.98 118.68 118.09 2ckc s LEU 2580Ca -0.11 -1.72 0.08 0.00 -1.03 0.00 0.00 54.13 51.35 2ckc s LEU 2580Cb -0.14 -1.11 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 2ckc s LEU 2580CO 0.04 -0.38 -0.13 0.68 0.23 0.00 0.00 176.35 176.79 2ckc s VAL 2581N 1.39 1.82 0.00 -1.59 -7.23 -1.26 -1.36 120.40 112.18 2ckc s VAL 2581Ca 0.08 -2.21 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 2ckc s VAL 2581Cb -0.18 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.55 2ckc s VAL 2581CO -0.18 -0.47 0.00 0.61 -0.31 0.00 0.00 175.10 174.75 2ckc n GLY 2582N -0.48 2.87 0.13 2.32 0.00 -1.26 -2.02 105.19 106.74 2ckc n GLY 2582Ca -0.07 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 9.09 -1.99 -3.11 114.58 120.18 2ckc h GLU 2583Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2ckc h GLU 2583Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2ckc h GLU 2583CO 0.00 0.00 -0.27 -0.25 0.05 0.00 0.00 179.01 178.54 2ckc n ASP 2584N -2.53 0.29 -4.77 3.06 9.92 -0.86 -4.85 116.55 116.81 2ckc n ASP 2584Ca 0.03 0.05 -0.37 0.00 -0.53 0.00 0.00 54.79 53.97 2ckc n ASP 2584Cb 0.48 -0.08 -0.02 0.00 -0.64 0.00 0.00 41.12 40.86 2ckc n ASP 2584CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ckc s ALA 2585N -2.98 3.09 0.78 2.24 0.00 -1.18 -4.57 121.76 119.14 2ckc s ALA 2585Ca 0.13 0.89 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 2ckc s ALA 2585Cb 0.18 -3.35 0.07 0.00 0.00 0.00 0.00 23.12 20.02 2ckc s ALA 2585CO 0.62 -0.48 1.13 -1.25 0.00 0.00 0.00 175.76 175.79 2ckc s PRO 2586N -2.45 1.99 0.48 0.00 0.04 -1.25 -4.57 135.00 129.24 2ckc s PRO 2586Ca 0.59 1.43 -0.19 0.00 0.04 0.00 0.00 61.00 62.87 2ckc s PRO 2586Cb -0.28 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 2ckc s PRO 2586CO 0.35 -1.88 0.99 0.15 0.04 0.00 0.00 177.00 176.64 2ckc s LYS 2587N -4.48 3.96 0.50 4.56 1.02 -1.26 -0.68 119.74 123.35 2ckc s LYS 2587Ca 0.66 1.16 0.15 0.00 0.02 0.00 0.00 55.97 57.96 2ckc s LYS 2587Cb -0.22 -2.13 1.19 0.00 -0.52 0.00 0.00 37.83 36.15 2ckc s LYS 2587CO 0.52 -0.27 2.12 -0.97 -0.92 0.00 0.00 175.35 175.83 2ckc h ASN 2588N 1.45 0.05 -0.32 2.83 -0.73 0.02 0.22 115.58 119.10 2ckc h ASN 2588Ca -0.48 -0.00 -0.14 0.00 1.87 0.00 0.00 56.30 57.55 2ckc h ASN 2588Cb 1.20 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 39.77 2ckc h ASN 2588CO 0.60 0.06 -0.34 0.07 -0.37 0.00 0.00 177.43 177.46 2ckc h LYS 2589N 0.05 0.79 0.00 6.67 2.10 -1.21 -3.16 116.57 121.81 2ckc h LYS 2589Ca 0.01 -0.42 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2ckc h LYS 2589Cb 0.04 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 2ckc h LYS 2589CO 0.00 1.05 -0.24 -0.25 -2.00 0.00 0.00 179.45 178.01 2ckc n ASP 2590N -4.19 0.76 -0.18 7.07 9.92 -0.61 -4.09 116.55 125.24 2ckc n ASP 2590Ca -0.03 0.40 -0.04 0.00 -0.53 0.00 0.00 54.79 54.59 2ckc n ASP 2590Cb 0.51 -0.43 0.03 0.00 -0.64 0.00 0.00 41.12 40.58 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 -0.84 -1.25 0.64 7.12 -0.57 0.14 115.31 120.55 2ckc h LEU 2591Ca 0.00 0.20 -0.05 0.00 0.13 0.00 0.00 57.88 58.16 2ckc h LEU 2591Cb 0.74 0.46 -0.02 0.00 -0.53 0.00 0.00 40.66 41.31 2ckc h LEU 2591CO 0.00 -0.26 -0.01 -0.37 -0.13 0.00 0.00 178.44 177.67 2ckc h VAL 2592N -0.11 1.19 -0.10 1.05 -1.51 -1.75 -1.01 116.25 114.02 2ckc h VAL 2592Ca 0.25 -0.78 -0.15 0.00 -1.23 0.00 0.00 66.70 64.79 2ckc h VAL 2592Cb 0.50 0.97 0.01 0.00 -2.13 0.00 0.00 31.29 30.63 2ckc h VAL 2592CO -0.61 0.26 -0.54 -0.33 -1.23 0.00 0.00 177.57 175.12 2ckc h GLU 2593N 0.48 0.53 -0.74 5.19 5.08 -1.38 -2.87 114.58 120.87 2ckc h GLU 2593Ca 0.10 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2ckc h GLU 2593Cb 0.33 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2ckc h GLU 2593CO 0.01 1.08 0.45 2.35 -1.00 0.00 0.00 179.01 181.90 2ckc h TRP 2594N 0.13 0.96 -0.49 4.33 7.01 -0.42 -2.06 115.95 125.42 2ckc h TRP 2594Ca -0.04 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.92 2ckc h TRP 2594Cb 1.19 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 27.91 2ckc h TRP 2594CO 0.11 0.64 0.12 -0.07 -2.79 0.00 0.00 178.44 176.45 2ckc h LEU 2595N 1.02 0.68 -0.67 0.65 4.07 -1.15 0.17 115.31 120.08 2ckc h LEU 2595Ca 0.27 -0.11 -0.10 0.00 0.08 0.00 0.00 57.88 58.01 2ckc h LEU 2595Cb -0.05 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.50 2ckc h LEU 2595CO -0.05 0.68 -0.48 0.11 -1.08 0.00 0.00 178.44 177.62 2ckc h LYS 2596N 0.72 0.00 0.00 1.13 1.57 -1.16 -2.74 116.57 116.08 2ckc h LYS 2596Ca 0.16 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2ckc h LYS 2596Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2ckc h LYS 2596CO -0.00 0.48 -0.29 -0.07 -0.57 0.00 0.00 179.45 179.00 2ckc h LEU 2597N 0.00 0.00 -6.88 2.94 -0.00 -0.88 -3.40 115.31 107.09 2ckc h LEU 2597Ca -0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 57.88 57.26 2ckc h LEU 2597Cb 1.08 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 41.34 2ckc h LEU 2597CO 0.06 0.25 -0.73 -1.00 -0.00 0.00 0.00 178.44 177.02 2ckc s HIS 2598N -3.09 2.48 -1.40 1.13 3.76 -0.04 -4.91 115.29 113.22 2ckc s HIS 2598Ca 0.05 -2.83 0.22 0.00 -0.15 0.00 0.00 55.06 52.36 2ckc s HIS 2598Cb 0.06 -2.03 1.10 0.00 1.11 0.00 0.00 32.58 32.83 2ckc s HIS 2598CO 0.71 -0.69 1.71 -0.35 -0.85 0.00 0.00 174.74 175.27 2ckc n PRO 2599N 2.67 0.29 -0.58 8.40 -0.04 -1.21 -2.63 135.00 141.91 2ckc n PRO 2599Ca 0.19 0.08 0.09 0.00 -0.04 0.00 0.00 63.50 63.82 2ckc n PRO 2599Cb 0.38 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.30 1.88 -2.47 0.52 -2.24 -1.26 -4.98 114.28 104.43 2ckc n THR 2600Ca 0.10 -1.27 -0.23 0.00 -2.27 0.00 0.00 64.05 60.37 2ckc n THR 2600Cb 0.18 0.09 0.05 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.94 2.92 -0.04 4.78 1.13 -1.08 -2.90 117.35 120.22 2ckc s TYR 2601Ca 0.48 0.22 -0.07 0.00 -1.41 0.00 0.00 57.07 56.28 2ckc s TYR 2601Cb 0.32 -2.90 0.01 0.00 -1.10 0.00 0.00 41.96 38.29 2ckc s TYR 2601CO 0.22 -1.05 0.18 0.99 -2.51 0.00 0.00 175.55 173.37 2ckc s THR 2602N -2.95 0.03 0.08 -3.49 2.01 0.72 -4.87 115.64 107.16 2ckc s THR 2602Ca 0.58 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 2ckc s THR 2602Cb -0.10 -0.35 -0.06 0.00 0.01 0.00 0.00 72.50 72.00 2ckc s THR 2602CO 0.41 -0.15 1.16 -0.69 -0.69 0.00 0.00 174.62 174.66 2ckc s VAL 2603N -0.51 4.08 -0.05 3.82 1.01 -1.26 -0.35 120.40 127.15 2ckc s VAL 2603Ca -0.06 1.54 -0.23 0.00 0.00 0.00 0.00 61.98 63.23 2ckc s VAL 2603Cb -0.04 -3.99 -0.28 0.00 0.00 0.00 0.00 36.38 32.08 2ckc s VAL 2603CO 0.01 0.15 0.95 -0.78 0.00 0.00 0.00 175.10 175.42 2ckc h ASP 2604N 6.50 0.38 -3.63 3.32 3.58 -1.25 -3.42 116.42 121.90 2ckc h ASP 2604Ca -0.42 -0.89 -0.64 0.00 0.42 0.00 0.00 57.03 55.50 2ckc h ASP 2604Cb 1.21 -0.12 -0.39 0.00 1.72 0.00 0.00 39.33 41.75 2ckc h ASP 2604CO 0.79 1.23 -0.75 -0.32 -2.88 0.00 0.00 179.24 177.31 2ckc s MET 2605N -2.69 1.52 0.00 0.28 1.75 -1.15 -4.99 119.30 114.03 2ckc s MET 2605Ca -0.15 -1.52 0.27 0.00 -1.25 0.00 0.00 55.69 53.05 2ckc s MET 2605Cb 0.01 -2.86 1.38 0.00 2.84 0.00 0.00 34.83 36.19 2ckc s MET 2605CO 0.80 -0.83 1.93 -0.35 -0.65 0.00 0.00 175.02 175.92 2ckc n PRO 2606N 4.44 0.39 -3.93 4.11 -0.04 -1.26 -4.65 135.00 134.06 2ckc n PRO 2606Ca -0.03 0.03 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 2ckc n PRO 2606Cb 0.42 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 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 -2.56 4.27 0.00 3.54 0.01 -1.26 -5.03 113.70 112.67 2ckc s SER 2607Ca 0.26 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2ckc s SER 2607Cb 0.18 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.72 2ckc s SER 2607CO 0.41 -0.08 0.00 0.00 0.41 0.00 0.00 173.24 173.98 2ckc n TYR 2608N 4.73 0.00 -3.54 2.43 4.11 -1.26 -4.99 117.16 118.64 2ckc n TYR 2608Ca -0.17 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.50 2ckc n TYR 2608Cb 0.49 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.68 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 0.00 -0.21 -0.15 -3.48 0.11 -1.26 -5.10 120.40 110.31 2ckc s VAL 2609Ca 0.00 -0.20 -0.29 0.00 -2.93 0.00 0.00 61.98 58.57 2ckc s VAL 2609Cb 0.00 -0.67 -0.06 0.00 -1.53 0.00 0.00 36.38 34.13 2ckc s VAL 2609CO 0.00 -0.29 2.04 -2.84 -3.33 0.00 0.00 175.10 170.68 2ckc s PRO 2610N 2.23 3.52 0.24 1.54 0.02 -1.26 -4.95 135.00 136.34 2ckc s PRO 2610Ca 0.05 2.10 0.01 0.00 0.02 0.00 0.00 61.00 63.18 2ckc s PRO 2610Cb -0.16 -4.26 -0.05 0.00 0.02 0.00 0.00 34.50 30.06 2ckc s PRO 2610CO -0.13 -1.65 0.10 -1.59 -0.33 0.00 0.00 177.00 173.39 2ckc s LYS 2611N 5.54 1.35 0.41 5.54 -2.85 -1.26 -5.00 119.74 123.47 2ckc s LYS 2611Ca 0.92 -1.72 0.00 0.00 -1.00 0.00 0.00 55.97 54.16 2ckc s LYS 2611Cb -0.34 -0.17 0.00 0.00 -2.06 0.00 0.00 37.83 35.26 2ckc s LYS 2611CO 0.36 -0.30 0.00 -1.71 0.10 0.00 0.00 175.35 173.80 2ckc n ASN 2612N -0.41 0.00 -0.06 0.03 2.85 -1.26 -1.03 115.26 115.37 2ckc n ASN 2612Ca -0.00 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.48 2ckc n ASN 2612Cb 0.66 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.69 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 6.82 1.62 0.51 5.20 0.00 -1.26 -4.68 120.51 128.71 2ckc n ALA 2613Ca 0.00 -0.96 0.13 0.00 0.00 0.00 0.00 53.44 52.61 2ckc n ALA 2613Cb 0.00 -0.09 0.44 0.00 0.00 0.00 0.00 19.45 19.80 2ckc n ALA 2613CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2ckc h ASP 2614N 0.00 0.00 0.70 0.00 3.32 -1.48 -2.34 116.42 116.61 2ckc h ASP 2614Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ckc h ASP 2614Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 2ckc h ASP 2614CO 0.00 0.00 -0.31 1.33 -1.72 0.00 0.00 179.24 178.54 2ckc n VAL 2615N -2.33 0.01 -3.50 -1.35 0.24 -1.24 -4.74 118.33 105.41 2ckc n VAL 2615Ca 0.04 -0.01 -0.37 0.00 -2.04 0.00 0.00 64.34 61.96 2ckc n VAL 2615Cb 0.35 -0.04 -0.08 0.00 -1.47 0.00 0.00 33.84 32.60 2ckc n VAL 2615CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2ckc s LEU 2616N -3.03 4.18 0.00 1.34 1.02 -0.88 -4.94 118.68 116.37 2ckc s LEU 2616Ca 0.12 0.43 0.00 0.00 0.02 0.00 0.00 54.13 54.70 2ckc s LEU 2616Cb 0.18 -2.38 0.00 0.00 0.02 0.00 0.00 46.19 44.01 2ckc s LEU 2616CO 0.64 0.02 0.00 0.49 0.02 0.00 0.00 176.35 177.52 2ckc n PHE 2617N 4.05 -2.03 -2.23 0.29 3.72 -1.26 -4.69 117.46 115.31 2ckc n PHE 2617Ca -0.11 0.18 0.02 0.00 -0.05 0.00 0.00 57.45 57.49 2ckc n PHE 2617Cb 0.52 -0.12 0.01 0.00 -0.94 0.00 0.00 39.48 38.95 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 -2.55 0.42 -4.46 4.37 7.64 -1.26 -5.01 113.62 112.77 2ckc n SER 2618Ca 0.00 -1.96 -0.44 0.00 1.01 0.00 0.00 58.87 57.49 2ckc n SER 2618Cb 0.07 -0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.02 2ckc n SER 2618CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ckc s SER 2619N -1.42 6.57 -1.13 6.43 0.15 -1.26 -4.93 113.70 118.11 2ckc s SER 2619Ca 0.16 -1.89 -0.17 0.00 0.70 0.00 0.00 55.95 54.75 2ckc s SER 2619Cb 0.18 -2.41 0.12 0.00 -1.71 0.00 0.00 66.02 62.20 2ckc s SER 2619CO -0.08 -1.14 1.42 -0.36 1.20 0.00 0.00 173.24 174.29 2ckc s PHE 2620N 3.00 3.12 -0.10 3.44 0.40 -1.26 -4.63 117.98 121.95 2ckc s PHE 2620Ca 0.32 -1.67 -0.19 0.00 -0.60 0.00 0.00 56.93 54.80 2ckc s PHE 2620Cb -0.06 -4.45 -0.27 0.00 0.51 0.00 0.00 43.02 38.75 2ckc s PHE 2620CO -0.07 -1.58 0.62 0.37 0.70 0.00 0.00 175.22 175.26 2ckc h GLN 2621N 8.02 0.22 0.00 0.44 -0.00 -2.04 -3.57 115.11 118.18 2ckc h GLN 2621Ca 0.29 -0.38 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 2ckc h GLN 2621Cb 0.93 0.14 0.00 0.00 0.00 0.00 0.00 27.48 28.55 2ckc h GLN 2621CO 1.28 1.18 0.00 1.63 0.00 0.00 0.00 178.83 182.92