#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ckc n ASP 2564N 0.00 3.20 0.28 -1.43 9.92 -1.26 -4.87 116.55 122.40 2ckc n ASP 2564Ca 0.00 1.21 0.14 0.00 -0.53 0.00 0.00 54.79 55.62 2ckc n ASP 2564Cb 0.00 -1.54 0.84 0.00 -0.64 0.00 0.00 41.12 39.77 2ckc n ASP 2564CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2ckc h PRO 2565N 2.81 0.00 0.00 -0.24 0.13 -1.99 -2.16 132.00 130.55 2ckc h PRO 2565Ca -0.48 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 2ckc h PRO 2565Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 2ckc h PRO 2565CO 0.64 0.06 -0.85 0.22 -0.23 0.00 0.00 178.00 177.84 2ckc h ASP 2566N 0.00 0.00 -2.19 1.44 3.58 -1.94 -0.96 116.42 116.35 2ckc h ASP 2566Ca -0.00 0.00 -0.62 0.00 0.42 0.00 0.00 57.03 56.83 2ckc h ASP 2566Cb 0.17 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.29 2ckc h ASP 2566CO 0.01 0.85 0.54 0.41 -2.88 0.00 0.00 179.24 178.16 2ckc n THR 2567N -3.35 0.51 -3.01 2.25 -1.04 -0.81 -4.36 114.28 104.46 2ckc n THR 2567Ca 0.00 -0.13 -0.37 0.00 -2.04 0.00 0.00 64.05 61.52 2ckc n THR 2567Cb 0.86 -1.19 -0.06 0.00 -1.82 0.00 0.00 70.33 68.12 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 0.10 4.37 -0.37 -2.82 1.81 -1.26 -0.12 118.95 120.66 2ckc s ARG 2568Ca 0.75 1.01 -0.01 0.00 -1.72 0.00 0.00 55.73 55.76 2ckc s ARG 2568Cb -0.77 -2.92 0.09 0.00 -0.45 0.00 0.00 34.95 30.90 2ckc s ARG 2568CO 0.47 0.40 0.12 0.42 -0.68 0.00 0.00 175.30 176.03 2ckc s ILE 2569N -1.48 2.99 -0.44 1.52 -1.09 0.24 -4.88 121.20 118.05 2ckc s ILE 2569Ca 0.43 -1.95 -0.28 0.00 -2.23 0.00 0.00 60.65 56.63 2ckc s ILE 2569Cb -0.18 -3.00 -0.02 0.00 -1.58 0.00 0.00 42.46 37.68 2ckc s ILE 2569CO 0.22 -0.52 1.88 -2.16 -1.23 0.00 0.00 174.94 173.13 2ckc s PRO 2570N 1.12 2.98 0.30 2.79 0.04 -1.26 -3.78 135.00 137.19 2ckc s PRO 2570Ca 0.05 1.15 0.08 0.00 0.04 0.00 0.00 61.00 62.33 2ckc s PRO 2570Cb -0.21 -4.30 -0.06 0.00 0.04 0.00 0.00 34.50 29.97 2ckc s PRO 2570CO -0.04 -2.29 -0.10 0.14 0.04 0.00 0.00 177.00 174.75 2ckc s VAL 2571N 8.13 1.99 0.01 -0.36 -7.23 -0.55 -0.59 120.40 121.79 2ckc s VAL 2571Ca 0.77 -2.20 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 2ckc s VAL 2571Cb -0.19 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 2ckc s VAL 2571CO 0.28 -0.29 -0.03 -0.51 -0.31 0.00 0.00 175.10 174.24 2ckc s ILE 2572N -2.79 0.20 -0.25 -0.62 2.07 0.53 -0.22 121.20 120.12 2ckc s ILE 2572Ca 0.30 -0.30 -0.11 0.00 -1.41 0.00 0.00 60.65 59.13 2ckc s ILE 2572Cb 0.02 -0.21 -0.05 0.00 0.13 0.00 0.00 42.46 42.35 2ckc s ILE 2572CO 0.14 -0.07 0.19 0.21 -1.91 0.00 0.00 174.94 173.50 2ckc s ASN 2573N -0.39 6.11 0.39 4.50 3.84 0.47 -0.31 114.94 129.55 2ckc s ASN 2573Ca -0.03 0.10 0.24 0.00 0.21 0.00 0.00 52.86 53.39 2ckc s ASN 2573Cb -0.03 -2.12 0.53 0.00 -0.55 0.00 0.00 41.25 39.07 2ckc s ASN 2573CO -0.00 0.01 1.67 -0.07 -2.79 0.00 0.00 177.10 175.92 2ckc h LEU 2574N 7.86 0.00 0.00 3.21 3.38 -1.80 0.99 115.31 128.95 2ckc h LEU 2574Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2ckc h LEU 2574Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2ckc h LEU 2574CO 0.62 0.00 -1.22 -0.62 0.09 0.00 0.00 178.44 177.31 2ckc n GLU 2575N -2.89 0.56 -0.08 1.13 -0.58 -1.26 -4.44 120.64 113.09 2ckc n GLU 2575Ca 0.04 0.03 -0.13 0.00 -0.42 0.00 0.00 57.16 56.68 2ckc n GLU 2575Cb 0.49 -1.72 -0.07 0.00 -0.57 0.00 0.00 31.44 29.57 2ckc n GLU 2575CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2ckc n ASP 2576N -2.46 2.16 0.00 1.62 2.03 -1.21 -5.01 116.55 113.69 2ckc n ASP 2576Ca -0.01 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2ckc n ASP 2576Cb 0.54 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 2ckc n ASP 2576CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ckc n GLY 2577N 2.45 0.58 3.74 0.27 0.00 0.34 -5.07 105.19 107.51 2ckc n GLY 2577Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.04 2.85 -0.21 2.61 -1.32 -1.24 -4.78 115.64 111.52 2ckc s THR 2578Ca 0.00 0.34 -0.09 0.00 -1.21 0.00 0.00 61.69 60.73 2ckc s THR 2578Cb 0.00 -2.77 0.08 0.00 -1.51 0.00 0.00 72.50 68.31 2ckc s THR 2578CO 0.00 -0.30 0.47 -0.60 -2.21 0.00 0.00 174.62 171.98 2ckc s ARG 2579N -4.41 0.42 -0.33 7.08 3.52 -1.26 -0.39 118.95 123.57 2ckc s ARG 2579Ca 0.67 1.00 0.01 0.00 -0.13 0.00 0.00 55.73 57.28 2ckc s ARG 2579Cb -0.22 0.23 0.08 0.00 -1.56 0.00 0.00 34.95 33.48 2ckc s ARG 2579CO 0.50 -0.20 0.03 -0.51 -0.81 0.00 0.00 175.30 174.31 2ckc s LEU 2580N 2.08 4.38 0.13 -0.88 2.01 0.69 -4.97 118.68 122.12 2ckc s LEU 2580Ca -0.06 -1.78 0.07 0.00 0.01 0.00 0.00 54.13 52.38 2ckc s LEU 2580Cb -0.10 -1.67 -0.04 0.00 0.01 0.00 0.00 46.19 44.40 2ckc s LEU 2580CO -0.14 -0.34 -0.17 0.68 1.01 0.00 0.00 176.35 177.38 2ckc s VAL 2581N 1.07 1.60 0.00 -1.59 -7.23 -1.26 -1.48 120.40 111.51 2ckc s VAL 2581Ca 0.02 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 2ckc s VAL 2581Cb -0.20 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.11 2ckc s VAL 2581CO -0.05 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.07 2ckc n GLY 2582N 0.62 1.01 0.23 2.32 0.00 -1.26 -2.94 105.19 105.18 2ckc n GLY 2582Ca -0.16 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 4.39 -2.00 -2.18 114.58 116.40 2ckc h GLU 2583Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2ckc h GLU 2583Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2ckc h GLU 2583CO 0.00 0.15 -0.23 -0.44 -1.16 0.00 0.00 179.01 177.32 2ckc h ASP 2584N 0.00 0.00 -3.77 1.42 5.19 -1.88 -3.44 116.42 113.94 2ckc h ASP 2584Ca -0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 2ckc h ASP 2584Cb 0.76 0.00 0.05 0.00 0.18 0.00 0.00 39.33 40.33 2ckc h ASP 2584CO 0.02 0.23 0.63 0.00 -3.12 0.00 0.00 179.24 176.99 2ckc s ALA 2585N -3.83 3.50 0.46 3.45 0.00 -0.82 -4.62 121.76 119.90 2ckc s ALA 2585Ca -0.01 1.19 -0.25 0.00 0.00 0.00 0.00 51.96 52.90 2ckc s ALA 2585Cb 0.11 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 2ckc s ALA 2585CO 0.63 -0.56 1.39 -1.25 0.00 0.00 0.00 175.76 175.97 2ckc s PRO 2586N -1.41 3.63 0.49 0.00 0.04 -1.25 -4.54 135.00 131.96 2ckc s PRO 2586Ca 0.50 2.33 -0.22 0.00 0.04 0.00 0.00 61.00 63.66 2ckc s PRO 2586Cb -0.38 -2.59 -0.07 0.00 0.04 0.00 0.00 34.50 31.50 2ckc s PRO 2586CO 0.48 -0.84 1.13 0.15 0.04 0.00 0.00 177.00 177.97 2ckc s LYS 2587N -2.51 3.64 0.45 4.56 1.02 -1.26 -0.59 119.74 125.04 2ckc s LYS 2587Ca 0.62 1.66 0.19 0.00 0.02 0.00 0.00 55.97 58.46 2ckc s LYS 2587Cb -0.42 -2.24 1.14 0.00 -0.52 0.00 0.00 37.83 35.78 2ckc s LYS 2587CO 0.53 -0.62 1.92 -0.97 -0.92 0.00 0.00 175.35 175.29 2ckc h ASN 2588N 1.73 0.31 -0.44 2.83 -1.24 0.16 0.15 115.58 119.08 2ckc h ASN 2588Ca -0.50 0.02 -0.10 0.00 0.71 0.00 0.00 56.30 56.43 2ckc h ASN 2588Cb 1.25 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 40.25 2ckc h ASN 2588CO 0.59 0.15 -0.13 0.07 -1.29 0.00 0.00 177.43 176.82 2ckc h LYS 2589N 0.32 0.87 -0.19 6.67 2.10 -1.48 -3.20 116.57 121.66 2ckc h LYS 2589Ca 0.38 -0.34 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 2ckc h LYS 2589Cb 0.99 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 2ckc h LYS 2589CO -0.10 0.99 0.00 -0.25 -2.00 0.00 0.00 179.45 178.08 2ckc n ASP 2590N -4.25 2.71 -0.18 7.07 8.00 -0.13 -4.27 116.55 125.51 2ckc n ASP 2590Ca -0.00 -1.88 -0.02 0.00 0.71 0.00 0.00 54.79 53.60 2ckc n ASP 2590Cb 0.39 -0.12 0.07 0.00 -0.02 0.00 0.00 41.12 41.45 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 3.81 0.24 -1.02 0.64 5.85 -0.79 -2.18 115.31 121.87 2ckc h LEU 2591Ca 0.00 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2ckc h LEU 2591Cb 0.83 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.83 2ckc h LEU 2591CO 0.00 0.16 0.66 -0.37 -0.34 0.00 0.00 178.44 178.55 2ckc h VAL 2592N 0.41 1.23 -0.48 1.05 -1.51 -1.79 -1.01 116.25 114.16 2ckc h VAL 2592Ca 0.26 -0.45 -0.03 0.00 -1.23 0.00 0.00 66.70 65.25 2ckc h VAL 2592Cb 0.26 -0.21 -0.02 0.00 -2.13 0.00 0.00 31.29 29.19 2ckc h VAL 2592CO -0.24 0.24 0.20 -0.33 -1.23 0.00 0.00 177.57 176.21 2ckc h GLU 2593N 1.32 0.71 -0.47 5.19 4.39 -1.69 -1.48 114.58 122.55 2ckc h GLU 2593Ca 0.38 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.86 2ckc h GLU 2593Cb -0.11 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 2ckc h GLU 2593CO -0.09 0.64 -0.08 2.35 -1.16 0.00 0.00 179.01 180.67 2ckc h TRP 2594N 0.63 0.92 -0.24 4.33 7.01 -0.97 -2.63 115.95 125.00 2ckc h TRP 2594Ca 0.16 -0.16 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 2ckc h TRP 2594Cb 0.19 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 2ckc h TRP 2594CO 0.00 0.88 -0.21 -0.07 -2.79 0.00 0.00 178.44 176.25 2ckc h LEU 2595N 0.76 0.42 -0.80 0.65 4.07 -0.77 0.13 115.31 119.78 2ckc h LEU 2595Ca 0.13 -0.13 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 2ckc h LEU 2595Cb 0.57 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.17 2ckc h LEU 2595CO 0.03 0.65 0.01 0.11 -1.08 0.00 0.00 178.44 178.16 2ckc h LYS 2596N 0.39 0.92 0.00 1.13 1.57 -0.93 -3.16 116.57 116.49 2ckc h LYS 2596Ca 0.06 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.46 2ckc h LYS 2596Cb 0.59 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 2ckc h LYS 2596CO 0.04 0.90 -0.97 -0.07 -0.57 0.00 0.00 179.45 178.79 2ckc h LEU 2597N 0.85 0.00 -6.82 2.94 3.38 -1.15 -3.40 115.31 111.11 2ckc h LEU 2597Ca 0.16 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.52 2ckc h LEU 2597Cb 0.48 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.83 2ckc h LEU 2597CO 0.02 0.49 -0.74 -1.00 0.09 0.00 0.00 178.44 177.30 2ckc s HIS 2598N -2.98 2.48 0.16 1.13 3.76 0.41 -4.92 115.29 115.33 2ckc s HIS 2598Ca 0.00 -2.87 0.29 0.00 -0.15 0.00 0.00 55.06 52.33 2ckc s HIS 2598Cb 0.08 -1.97 1.18 0.00 1.11 0.00 0.00 32.58 32.98 2ckc s HIS 2598CO 0.78 -0.68 1.92 -1.00 -0.85 0.00 0.00 174.74 174.91 2ckc h PRO 2599N 5.66 0.00 -0.81 8.40 0.13 -1.79 -2.92 132.00 140.67 2ckc h PRO 2599Ca 0.17 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.19 2ckc h PRO 2599Cb 0.83 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.90 2ckc h PRO 2599CO 0.56 0.12 0.13 0.25 -0.23 0.00 0.00 178.00 178.83 2ckc n THR 2600N -3.29 2.03 -2.40 1.56 -2.24 -1.26 -4.87 114.28 103.81 2ckc n THR 2600Ca 0.00 -1.03 -0.24 0.00 -2.27 0.00 0.00 64.05 60.51 2ckc n THR 2600Cb 0.35 -0.44 0.07 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.18 2.59 0.32 4.78 1.13 -1.10 -2.56 117.35 120.33 2ckc s TYR 2601Ca 0.37 0.15 -0.06 0.00 -1.41 0.00 0.00 57.07 56.12 2ckc s TYR 2601Cb 0.29 -3.06 0.00 0.00 -1.10 0.00 0.00 41.96 38.09 2ckc s TYR 2601CO 0.10 -1.35 0.49 -0.08 -2.51 0.00 0.00 175.55 172.20 2ckc s THR 2602N -3.10 0.00 -0.11 -3.49 -1.32 0.58 -4.85 115.64 103.35 2ckc s THR 2602Ca 0.61 -1.52 -0.04 0.00 -1.21 0.00 0.00 61.69 59.53 2ckc s THR 2602Cb -0.09 -2.57 -0.04 0.00 -1.51 0.00 0.00 72.50 68.30 2ckc s THR 2602CO 0.43 0.00 0.06 -0.69 -2.21 0.00 0.00 174.62 172.21 2ckc s VAL 2603N -3.23 4.82 0.25 5.08 1.01 -1.26 -0.35 120.40 126.72 2ckc s VAL 2603Ca 0.28 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.28 2ckc s VAL 2603Cb -0.01 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2ckc s VAL 2603CO 0.17 0.60 1.57 -0.78 0.00 0.00 0.00 175.10 176.66 2ckc h ASP 2604N 5.19 0.14 -3.30 3.32 3.58 -1.11 -3.28 116.42 120.96 2ckc h ASP 2604Ca -0.52 -0.09 -0.66 0.00 0.42 0.00 0.00 57.03 56.19 2ckc h ASP 2604Cb 1.21 -0.04 -0.39 0.00 1.72 0.00 0.00 39.33 41.82 2ckc h ASP 2604CO 0.57 0.74 -0.39 -0.32 -2.88 0.00 0.00 179.24 176.95 2ckc s MET 2605N -3.65 2.74 0.03 0.28 1.75 -1.23 -5.01 119.30 114.22 2ckc s MET 2605Ca -0.03 -3.26 -0.10 0.00 -1.25 0.00 0.00 55.69 51.06 2ckc s MET 2605Cb 0.12 -3.63 -0.04 0.00 2.84 0.00 0.00 34.83 34.12 2ckc s MET 2605CO 0.78 -1.26 1.16 -1.35 -0.65 0.00 0.00 175.02 173.70 2ckc h PRO 2606N 5.74 -0.22 -1.47 4.11 0.11 -1.87 -3.42 132.00 134.98 2ckc h PRO 2606Ca 0.13 0.01 -0.17 0.00 0.11 0.00 0.00 66.00 66.08 2ckc h PRO 2606Cb 0.79 0.05 -0.25 0.00 0.11 0.00 0.00 31.00 31.69 2ckc h PRO 2606CO 0.77 -0.14 -0.53 -1.12 -0.21 0.00 0.00 178.00 176.76 2ckc s SER 2607N -3.10 -0.22 0.05 -2.05 0.01 -1.26 -4.78 113.70 102.35 2ckc s SER 2607Ca -0.05 -0.78 -0.22 0.00 1.31 0.00 0.00 55.95 56.22 2ckc s SER 2607Cb 0.02 1.33 -0.11 0.00 0.21 0.00 0.00 66.02 67.47 2ckc s SER 2607CO 0.18 -0.26 1.34 0.10 0.41 0.00 0.00 173.24 175.01 2ckc h TYR 2608N 7.48 -0.88 -3.24 2.43 -0.00 -2.01 -3.42 116.97 117.33 2ckc h TYR 2608Ca 0.00 0.01 -0.29 0.00 -0.00 0.00 0.00 58.73 58.45 2ckc h TYR 2608Cb 1.13 0.35 -0.35 0.00 -0.00 0.00 0.00 36.73 37.86 2ckc h TYR 2608CO 0.25 -0.41 -0.65 0.08 -0.00 0.00 0.00 178.16 177.42 2ckc s VAL 2609N -4.75 -0.14 -0.86 -0.90 1.01 -1.26 -5.09 120.40 108.42 2ckc s VAL 2609Ca -0.11 0.29 -0.25 0.00 0.00 0.00 0.00 61.98 61.91 2ckc s VAL 2609Cb 0.03 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 36.21 2ckc s VAL 2609CO 0.37 0.12 1.42 -2.16 0.00 0.00 0.00 175.10 174.85 2ckc s PRO 2610N 1.73 3.29 0.03 2.72 0.05 -1.26 -4.86 135.00 136.69 2ckc s PRO 2610Ca -0.02 -0.56 -0.27 0.00 0.05 0.00 0.00 61.00 60.20 2ckc s PRO 2610Cb -0.12 -4.73 -0.17 0.00 0.05 0.00 0.00 34.50 29.54 2ckc s PRO 2610CO -0.05 -2.27 1.32 0.87 0.05 0.00 0.00 177.00 176.92 2ckc h LYS 2611N 10.28 -0.57 -3.18 4.56 1.57 -2.00 -3.41 116.57 123.82 2ckc h LYS 2611Ca -0.06 0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 58.23 2ckc h LYS 2611Cb 1.04 0.13 -0.40 0.00 0.08 0.00 0.00 32.23 33.08 2ckc h LYS 2611CO 1.34 -0.27 -0.77 1.21 -0.57 0.00 0.00 179.45 180.39 2ckc s ASN 2612N -4.83 3.36 -0.64 0.86 2.47 -1.26 -5.02 114.94 109.88 2ckc s ASN 2612Ca -0.15 -1.18 0.05 0.00 0.42 0.00 0.00 52.86 52.00 2ckc s ASN 2612Cb 0.02 -0.52 0.18 0.00 -1.45 0.00 0.00 41.25 39.48 2ckc s ASN 2612CO 0.55 -0.39 0.48 0.00 -3.72 0.00 0.00 177.10 174.01 2ckc n ALA 2613N 5.11 3.32 1.08 1.71 0.00 -1.26 -4.88 120.51 125.59 2ckc n ALA 2613Ca -0.06 -4.22 0.12 0.00 0.00 0.00 0.00 53.44 49.28 2ckc n ALA 2613Cb 0.44 -0.96 0.12 0.00 0.00 0.00 0.00 19.45 19.05 2ckc n ALA 2613CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2ckc n ASP 2614N 2.07 1.88 -4.65 0.00 5.75 -1.26 -4.79 116.55 115.56 2ckc n ASP 2614Ca 0.23 -1.42 -0.39 0.00 -0.01 0.00 0.00 54.79 53.19 2ckc n ASP 2614Cb 0.38 0.32 -0.07 0.00 -1.03 0.00 0.00 41.12 40.73 2ckc n ASP 2614CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2ckc s VAL 2615N -2.41 5.11 0.28 2.12 0.11 -1.26 -5.04 120.40 119.31 2ckc s VAL 2615Ca 0.22 0.89 -0.29 0.00 -2.93 0.00 0.00 61.98 59.87 2ckc s VAL 2615Cb 0.19 -3.82 -0.09 0.00 -1.53 0.00 0.00 36.38 31.13 2ckc s VAL 2615CO 0.52 0.16 1.03 -0.76 -3.33 0.00 0.00 175.10 172.72 2ckc s LEU 2616N 1.77 4.52 -0.28 2.54 1.43 -1.26 -4.05 118.68 123.35 2ckc s LEU 2616Ca 0.22 2.10 -0.00 0.00 -1.03 0.00 0.00 54.13 55.42 2ckc s LEU 2616Cb -0.15 -3.71 -0.00 0.00 0.03 0.00 0.00 46.19 42.35 2ckc s LEU 2616CO 0.09 -0.07 0.27 0.49 0.23 0.00 0.00 176.35 177.36 2ckc n PHE 2617N 1.11 -1.14 -3.22 0.29 3.01 -1.26 -5.09 117.46 111.15 2ckc n PHE 2617Ca -0.01 0.43 0.00 0.00 1.01 0.00 0.00 57.45 58.89 2ckc n PHE 2617Cb 0.46 -2.50 0.00 0.00 -0.01 0.00 0.00 39.48 37.43 2ckc n PHE 2617CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2ckc n SER 2618N -1.29 0.00 -2.17 4.37 3.41 -1.26 -5.09 113.62 111.59 2ckc n SER 2618Ca -0.00 -0.66 -0.01 0.00 -0.26 0.00 0.00 58.87 57.94 2ckc n SER 2618Cb 0.50 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.44 2ckc n SER 2618CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ckc n SER 2619N -1.40 -3.75 -4.67 4.04 7.64 -1.26 -4.93 113.62 109.29 2ckc n SER 2619Ca 0.00 0.81 -0.43 0.00 1.01 0.00 0.00 58.87 60.26 2ckc n SER 2619Cb 0.00 -3.48 -0.02 0.00 -1.01 0.00 0.00 64.21 59.69 2ckc n SER 2619CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2ckc s PHE 2620N -0.73 2.89 0.03 1.43 0.40 -1.26 -4.89 117.98 115.85 2ckc s PHE 2620Ca -0.07 1.02 -0.23 0.00 -0.60 0.00 0.00 56.93 57.05 2ckc s PHE 2620Cb 0.00 -3.51 -0.16 0.00 0.51 0.00 0.00 43.02 39.87 2ckc s PHE 2620CO 0.46 -1.72 1.40 0.37 0.70 0.00 0.00 175.22 176.42 2ckc h GLN 2621N 8.07 0.18 0.00 0.44 5.75 -1.95 -3.42 115.11 124.18 2ckc h GLN 2621Ca -0.29 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.14 2ckc h GLN 2621Cb 1.12 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.66 2ckc h GLN 2621CO 0.95 0.51 0.00 1.17 -2.65 0.00 0.00 178.83 178.81