#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 6.60 0.64 -1.43 1.01 -1.26 -4.95 116.67 117.28 2ckc s ASP 2564Ca 0.00 0.80 0.41 0.00 0.71 0.00 0.00 52.55 54.47 2ckc s ASP 2564Cb 0.00 -2.18 2.19 0.00 1.01 0.00 0.00 42.92 43.95 2ckc s ASP 2564CO 0.00 0.02 2.30 1.55 0.21 0.00 0.00 175.17 179.25 2ckc h PRO 2565N 2.88 0.00 0.00 8.23 0.13 -1.99 -1.10 132.00 140.15 2ckc h PRO 2565Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2ckc h PRO 2565Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ckc h PRO 2565CO 0.70 0.01 -0.69 0.22 -0.23 0.00 0.00 178.00 178.01 2ckc h ASP 2566N 0.00 0.00 -2.10 1.44 3.58 -1.94 -1.96 116.42 115.44 2ckc h ASP 2566Ca -0.00 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.84 2ckc h ASP 2566Cb 0.07 0.00 0.05 0.00 1.72 0.00 0.00 39.33 41.18 2ckc h ASP 2566CO 0.00 0.00 0.73 0.41 -2.88 0.00 0.00 179.24 177.51 2ckc n THR 2567N -2.81 0.04 -2.94 2.25 -1.04 -0.42 -4.51 114.28 104.86 2ckc n THR 2567Ca 0.01 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.05 61.62 2ckc n THR 2567Cb 0.54 -1.38 -0.06 0.00 -1.82 0.00 0.00 70.33 67.62 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 1.07 4.62 -0.37 -2.82 1.81 -1.26 0.05 118.95 122.04 2ckc s ARG 2568Ca 0.81 1.22 -0.00 0.00 -1.72 0.00 0.00 55.73 56.04 2ckc s ARG 2568Cb -0.76 -3.27 0.10 0.00 -0.45 0.00 0.00 34.95 30.58 2ckc s ARG 2568CO 0.41 0.54 0.13 0.42 -0.68 0.00 0.00 175.30 176.13 2ckc s ILE 2569N -1.08 2.87 -0.31 1.52 -1.09 0.17 -4.89 121.20 118.39 2ckc s ILE 2569Ca 0.37 -2.13 -0.29 0.00 -2.23 0.00 0.00 60.65 56.38 2ckc s ILE 2569Cb -0.23 -2.99 -0.01 0.00 -1.58 0.00 0.00 42.46 37.64 2ckc s ILE 2569CO 0.27 -0.61 1.66 -2.16 -1.23 0.00 0.00 174.94 172.87 2ckc s PRO 2570N 1.05 3.53 0.31 2.79 0.04 -1.26 -3.73 135.00 137.73 2ckc s PRO 2570Ca 0.08 1.40 0.04 0.00 0.04 0.00 0.00 61.00 62.57 2ckc s PRO 2570Cb -0.21 -4.11 -0.06 0.00 0.04 0.00 0.00 34.50 30.16 2ckc s PRO 2570CO -0.06 -1.62 0.02 0.14 0.04 0.00 0.00 177.00 175.53 2ckc s VAL 2571N 6.04 1.30 -0.05 -0.36 -7.23 -0.75 -1.10 120.40 118.25 2ckc s VAL 2571Ca 0.73 -2.03 -0.09 0.00 -1.81 0.00 0.00 61.98 58.79 2ckc s VAL 2571Cb -0.21 -2.67 0.02 0.00 0.56 0.00 0.00 36.38 34.07 2ckc s VAL 2571CO 0.32 -0.11 0.21 -0.51 -0.31 0.00 0.00 175.10 174.70 2ckc s ILE 2572N -3.23 0.03 -0.24 -0.62 2.07 0.10 -0.34 121.20 118.98 2ckc s ILE 2572Ca 0.34 -0.26 -0.16 0.00 -1.41 0.00 0.00 60.65 59.16 2ckc s ILE 2572Cb 0.07 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.24 2ckc s ILE 2572CO 0.14 -0.14 0.40 0.21 -1.91 0.00 0.00 174.94 173.63 2ckc s ASN 2573N -0.50 6.36 0.32 4.50 3.84 0.45 -0.79 114.94 129.11 2ckc s ASN 2573Ca -0.06 0.42 0.18 0.00 0.21 0.00 0.00 52.86 53.60 2ckc s ASN 2573Cb -0.04 -2.23 0.14 0.00 -0.55 0.00 0.00 41.25 38.58 2ckc s ASN 2573CO 0.01 -0.14 1.46 -0.07 -2.79 0.00 0.00 177.10 175.57 2ckc h LEU 2574N 8.14 0.00 0.00 3.21 3.38 -1.85 0.10 115.31 128.30 2ckc h LEU 2574Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2ckc h LEU 2574Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2ckc h LEU 2574CO 0.69 0.33 -0.45 -0.62 0.09 0.00 0.00 178.44 178.48 2ckc n GLU 2575N -3.16 0.02 0.00 1.13 -0.58 -1.26 -4.43 120.64 112.37 2ckc n GLU 2575Ca 0.02 0.01 -0.02 0.00 -0.42 0.00 0.00 57.16 56.75 2ckc n GLU 2575Cb 0.67 -1.51 -0.01 0.00 -0.57 0.00 0.00 31.44 30.02 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 -1.55 0.32 0.00 1.62 -0.08 -1.20 -5.05 116.55 110.61 2ckc n ASP 2576Ca 0.05 0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 2ckc n ASP 2576Cb 0.34 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 43.69 2ckc n ASP 2576CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ckc n GLY 2577N 2.98 1.69 3.71 0.27 0.00 0.35 -5.07 105.19 109.12 2ckc n GLY 2577Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.07 3.27 -0.05 2.61 2.01 -1.25 -4.81 115.64 115.36 2ckc s THR 2578Ca 0.00 0.86 0.06 0.00 0.31 0.00 0.00 61.69 62.92 2ckc s THR 2578Cb 0.00 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 2ckc s THR 2578CO 0.00 0.05 -0.24 -0.60 -0.69 0.00 0.00 174.62 173.13 2ckc s ARG 2579N 1.52 2.41 -0.29 4.92 3.52 -1.26 -0.41 118.95 129.35 2ckc s ARG 2579Ca 0.66 -0.89 0.02 0.00 -0.13 0.00 0.00 55.73 55.39 2ckc s ARG 2579Cb -0.37 -2.15 0.08 0.00 -1.56 0.00 0.00 34.95 30.96 2ckc s ARG 2579CO 0.30 0.46 -0.00 -0.51 -0.81 0.00 0.00 175.30 174.74 2ckc s LEU 2580N -0.35 3.59 0.10 -0.88 1.43 0.54 -4.97 118.68 118.14 2ckc s LEU 2580Ca 0.02 -1.69 0.06 0.00 -1.03 0.00 0.00 54.13 51.49 2ckc s LEU 2580Cb -0.12 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 2ckc s LEU 2580CO 0.02 -0.31 -0.15 0.68 0.23 0.00 0.00 176.35 176.82 2ckc s VAL 2581N 1.17 1.27 0.00 -1.59 -7.23 -1.26 -1.81 120.40 110.95 2ckc s VAL 2581Ca 0.03 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2ckc s VAL 2581Cb -0.19 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.41 2ckc s VAL 2581CO -0.09 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.00 2ckc n GLY 2582N 0.89 0.31 0.18 2.32 0.00 -1.26 -2.99 105.19 104.64 2ckc n GLY 2582Ca -0.18 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.51 114.58 116.07 2ckc h GLU 2583Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ckc h GLU 2583Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2ckc h GLU 2583CO 0.00 0.00 0.00 -0.44 -1.16 0.00 0.00 179.01 177.41 2ckc h ASP 2584N 0.00 0.00 -3.81 1.42 5.19 -1.90 -3.44 116.42 113.88 2ckc h ASP 2584Ca 0.00 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.91 2ckc h ASP 2584Cb 0.87 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.40 2ckc h ASP 2584CO 0.00 0.00 0.47 0.00 -3.12 0.00 0.00 179.24 176.59 2ckc s ALA 2585N -3.41 3.40 0.45 3.45 0.00 -0.95 -4.55 121.76 120.15 2ckc s ALA 2585Ca 0.05 0.88 -0.25 0.00 0.00 0.00 0.00 51.96 52.63 2ckc s ALA 2585Cb 0.08 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 2ckc s ALA 2585CO 0.57 -0.14 1.37 -1.25 0.00 0.00 0.00 175.76 176.32 2ckc s PRO 2586N -1.45 3.73 0.59 0.00 0.04 -1.24 -4.58 135.00 132.08 2ckc s PRO 2586Ca 0.44 2.30 -0.19 0.00 0.04 0.00 0.00 61.00 63.60 2ckc s PRO 2586Cb -0.31 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 2ckc s PRO 2586CO 0.40 -0.74 1.21 0.15 0.04 0.00 0.00 177.00 178.06 2ckc s LYS 2587N -2.43 2.99 0.37 4.56 1.02 -1.26 -0.65 119.74 124.33 2ckc s LYS 2587Ca 0.61 1.83 0.12 0.00 0.02 0.00 0.00 55.97 58.54 2ckc s LYS 2587Cb -0.41 -1.94 0.91 0.00 -0.52 0.00 0.00 37.83 35.87 2ckc s LYS 2587CO 0.53 -1.19 1.84 -0.97 -0.92 0.00 0.00 175.35 174.63 2ckc h ASN 2588N 0.91 0.59 0.16 2.83 -1.24 0.23 0.24 115.58 119.30 2ckc h ASN 2588Ca -0.50 0.06 -0.11 0.00 0.71 0.00 0.00 56.30 56.45 2ckc h ASN 2588Cb 1.30 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 40.28 2ckc h ASN 2588CO 0.55 0.25 -0.40 0.07 -1.29 0.00 0.00 177.43 176.61 2ckc h LYS 2589N 0.59 0.32 0.00 6.67 2.10 -1.66 -3.08 116.57 121.52 2ckc h LYS 2589Ca 0.50 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 2ckc h LYS 2589Cb 0.97 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 2ckc h LYS 2589CO -0.24 0.67 -0.88 -0.25 -2.00 0.00 0.00 179.45 176.76 2ckc n ASP 2590N -4.03 0.72 -0.22 7.07 9.92 0.18 -4.20 116.55 125.98 2ckc n ASP 2590Ca -0.01 0.12 0.02 0.00 -0.53 0.00 0.00 54.79 54.38 2ckc n ASP 2590Cb 0.48 0.44 0.11 0.00 -0.64 0.00 0.00 41.12 41.51 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 -0.39 -1.19 0.64 7.12 -0.56 -0.57 115.31 120.35 2ckc h LEU 2591Ca 0.00 0.18 -0.00 0.00 0.13 0.00 0.00 57.88 58.18 2ckc h LEU 2591Cb 0.84 0.33 -0.04 0.00 -0.53 0.00 0.00 40.66 41.26 2ckc h LEU 2591CO 0.00 -0.16 0.45 -0.37 -0.13 0.00 0.00 178.44 178.22 2ckc h VAL 2592N 0.08 1.21 -0.16 1.05 -1.51 -1.73 -1.86 116.25 113.32 2ckc h VAL 2592Ca 0.35 -0.45 -0.18 0.00 -1.23 0.00 0.00 66.70 65.19 2ckc h VAL 2592Cb 0.57 0.16 0.01 0.00 -2.13 0.00 0.00 31.29 29.90 2ckc h VAL 2592CO -0.61 0.21 -0.58 -0.33 -1.23 0.00 0.00 177.57 175.03 2ckc h GLU 2593N 1.01 0.68 -0.57 5.19 5.08 -1.42 -2.84 114.58 121.72 2ckc h GLU 2593Ca 0.27 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2ckc h GLU 2593Cb -0.05 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2ckc h GLU 2593CO -0.05 1.14 0.37 2.35 -1.00 0.00 0.00 179.01 181.82 2ckc h TRP 2594N 0.37 0.72 -0.11 4.33 7.01 -0.77 -1.41 115.95 126.09 2ckc h TRP 2594Ca -0.03 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 60.87 2ckc h TRP 2594Cb 1.21 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 28.02 2ckc h TRP 2594CO 0.10 0.46 -0.46 -0.07 -2.79 0.00 0.00 178.44 175.67 2ckc h LEU 2595N 0.77 0.27 -0.76 0.65 4.07 -1.26 0.88 115.31 119.94 2ckc h LEU 2595Ca 0.21 -0.12 -0.12 0.00 0.08 0.00 0.00 57.88 57.93 2ckc h LEU 2595Cb -0.08 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 2ckc h LEU 2595CO -0.04 0.70 -0.31 0.11 -1.08 0.00 0.00 178.44 177.81 2ckc h LYS 2596N 0.21 0.59 0.00 1.13 1.57 -1.03 -3.12 116.57 115.91 2ckc h LYS 2596Ca 0.01 -0.26 -0.21 0.00 -1.87 0.00 0.00 60.65 58.33 2ckc h LYS 2596Cb 0.89 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 2ckc h LYS 2596CO 0.07 0.83 -1.08 -0.07 -0.57 0.00 0.00 179.45 178.63 2ckc h LEU 2597N 0.50 0.00 -6.89 2.94 -0.00 -1.08 -3.40 115.31 107.38 2ckc h LEU 2597Ca 0.06 0.00 -0.61 0.00 -0.00 0.00 0.00 57.88 57.33 2ckc h LEU 2597Cb 0.79 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 41.04 2ckc h LEU 2597CO 0.06 0.89 -0.66 1.41 -0.00 0.00 0.00 178.44 180.15 2ckc n HIS 2598N -3.24 2.37 0.37 1.13 8.25 0.27 -4.90 115.22 119.48 2ckc n HIS 2598Ca -0.03 -4.09 0.14 0.00 -0.26 0.00 0.00 57.72 53.47 2ckc n HIS 2598Cb 0.92 -0.44 0.52 0.00 1.12 0.00 0.00 29.99 32.12 2ckc n HIS 2598CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2ckc h PRO 2599N 5.37 0.00 -0.73 -0.41 0.13 -1.78 -2.91 132.00 131.66 2ckc h PRO 2599Ca 0.18 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.24 2ckc h PRO 2599Cb 0.78 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.88 2ckc h PRO 2599CO 0.65 0.00 0.08 0.25 -0.23 0.00 0.00 178.00 178.75 2ckc n THR 2600N -2.59 2.21 -2.55 1.56 -2.24 -1.26 -4.91 114.28 104.49 2ckc n THR 2600Ca 0.02 -1.13 -0.24 0.00 -2.27 0.00 0.00 64.05 60.43 2ckc n THR 2600Cb 0.31 -0.37 0.11 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.38 1.54 0.15 4.78 1.13 -1.10 -2.96 117.35 118.51 2ckc s TYR 2601Ca 0.42 -0.26 -0.11 0.00 -1.41 0.00 0.00 57.07 55.71 2ckc s TYR 2601Cb 0.33 -3.05 0.01 0.00 -1.10 0.00 0.00 41.96 38.14 2ckc s TYR 2601CO 0.12 -1.78 0.33 -0.08 -2.51 0.00 0.00 175.55 171.62 2ckc s THR 2602N -3.19 0.07 -0.05 -3.49 -1.32 0.03 -4.84 115.64 102.86 2ckc s THR 2602Ca 0.67 -1.12 -0.17 0.00 -1.21 0.00 0.00 61.69 59.86 2ckc s THR 2602Cb -0.05 -1.60 -0.05 0.00 -1.51 0.00 0.00 72.50 69.29 2ckc s THR 2602CO 0.45 -0.34 0.47 -0.69 -2.21 0.00 0.00 174.62 172.30 2ckc s VAL 2603N -3.91 5.06 0.11 5.08 1.01 -1.26 -0.72 120.40 125.78 2ckc s VAL 2603Ca 0.11 0.95 0.13 0.00 0.00 0.00 0.00 61.98 63.17 2ckc s VAL 2603Cb 0.03 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2ckc s VAL 2603CO -0.04 0.45 1.52 -0.78 0.00 0.00 0.00 175.10 176.25 2ckc h ASP 2604N 5.67 0.00 -3.61 3.32 3.58 -1.37 -3.42 116.42 120.58 2ckc h ASP 2604Ca -0.46 0.00 -0.62 0.00 0.42 0.00 0.00 57.03 56.37 2ckc h ASP 2604Cb 1.20 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.12 2ckc h ASP 2604CO 0.69 0.63 -0.08 -0.32 -2.88 0.00 0.00 179.24 177.27 2ckc s MET 2605N -3.24 4.06 0.08 0.28 1.75 -1.05 -4.96 119.30 116.23 2ckc s MET 2605Ca 0.01 0.24 -0.12 0.00 -1.25 0.00 0.00 55.69 54.57 2ckc s MET 2605Cb 0.10 -3.65 -0.21 0.00 2.84 0.00 0.00 34.83 33.91 2ckc s MET 2605CO 0.75 -0.31 1.20 -1.00 -0.65 0.00 0.00 175.02 175.01 2ckc h PRO 2606N 8.01 0.65 -2.45 4.11 0.13 -1.94 -3.46 132.00 137.07 2ckc h PRO 2606Ca -0.30 -0.71 -0.08 0.00 -0.87 0.00 0.00 66.00 64.04 2ckc h PRO 2606Cb 1.15 0.21 -0.24 0.00 0.13 0.00 0.00 31.00 32.24 2ckc h PRO 2606CO 0.70 1.30 -0.16 -1.12 -0.23 0.00 0.00 178.00 178.48 2ckc s SER 2607N -7.27 -0.62 0.63 1.44 0.01 -1.26 -5.16 113.70 101.47 2ckc s SER 2607Ca -0.09 1.08 -0.09 0.00 1.31 0.00 0.00 55.95 58.17 2ckc s SER 2607Cb 0.07 1.01 0.00 0.00 0.21 0.00 0.00 66.02 67.31 2ckc s SER 2607CO 0.91 -0.20 0.99 -0.72 0.41 0.00 0.00 173.24 174.64 2ckc s TYR 2608N 1.05 3.36 -0.06 2.43 1.13 -1.26 -4.97 117.35 119.03 2ckc s TYR 2608Ca -0.06 0.92 -0.31 0.00 -1.41 0.00 0.00 57.07 56.21 2ckc s TYR 2608Cb -0.06 -2.83 -0.09 0.00 -1.10 0.00 0.00 41.96 37.88 2ckc s TYR 2608CO -0.09 -0.90 2.02 1.55 -2.51 0.00 0.00 175.55 175.61 2ckc n VAL 2609N -2.75 0.63 -1.72 -3.49 3.14 -1.26 -4.91 118.33 107.95 2ckc n VAL 2609Ca 0.05 -0.21 -0.40 0.00 -2.96 0.00 0.00 64.34 60.82 2ckc n VAL 2609Cb 0.57 -2.27 0.02 0.00 -1.06 0.00 0.00 33.84 31.09 2ckc n VAL 2609CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2ckc n PRO 2610N 7.68 2.04 -1.07 1.45 -0.02 -1.26 -4.85 135.00 138.97 2ckc n PRO 2610Ca 0.23 0.73 -0.15 0.00 -2.02 0.00 0.00 63.50 62.29 2ckc n PRO 2610Cb 0.39 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.30 2ckc n PRO 2610CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2ckc n LYS 2611N -0.07 1.96 -0.06 -0.52 5.02 -1.26 -4.13 118.16 119.10 2ckc n LYS 2611Ca 0.06 -1.33 -0.04 0.00 -2.02 0.00 0.00 58.31 54.97 2ckc n LYS 2611Cb 0.40 -1.86 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 2ckc n LYS 2611CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2ckc h ASN 2612N 2.56 0.00 -3.75 4.39 -0.00 -2.02 -3.38 115.58 113.38 2ckc h ASN 2612Ca 0.24 -0.22 -0.73 0.00 -0.00 0.00 0.00 56.30 55.59 2ckc h ASN 2612Cb 1.14 0.00 -0.33 0.00 -0.00 0.00 0.00 38.32 39.13 2ckc h ASN 2612CO 0.45 0.68 -0.08 0.00 -0.00 0.00 0.00 177.43 178.48 2ckc s ALA 2613N -2.51 4.05 -0.40 1.57 0.00 -1.26 -5.01 121.76 118.21 2ckc s ALA 2613Ca -0.07 -3.55 -0.06 0.00 0.00 0.00 0.00 51.96 48.27 2ckc s ALA 2613Cb 0.00 -3.00 0.09 0.00 0.00 0.00 0.00 23.12 20.21 2ckc s ALA 2613CO 0.19 -2.17 0.21 0.34 0.00 0.00 0.00 175.76 174.34 2ckc s ASP 2614N 0.74 5.42 0.40 0.00 2.15 -1.26 -5.05 116.67 119.07 2ckc s ASP 2614Ca 0.22 -1.66 -0.02 0.00 0.43 0.00 0.00 52.55 51.53 2ckc s ASP 2614Cb -0.12 -1.90 -0.04 0.00 -0.30 0.00 0.00 42.92 40.56 2ckc s ASP 2614CO -0.08 -0.51 0.64 0.68 -0.17 0.00 0.00 175.17 175.73 2ckc s VAL 2615N 1.31 5.02 -1.11 1.11 -7.23 -1.26 -4.98 120.40 113.26 2ckc s VAL 2615Ca 0.04 -0.16 0.05 0.00 -1.81 0.00 0.00 61.98 60.09 2ckc s VAL 2615Cb -0.23 -3.85 0.23 0.00 0.56 0.00 0.00 36.38 33.08 2ckc s VAL 2615CO -0.00 -0.66 0.94 0.18 -0.31 0.00 0.00 175.10 175.25 2ckc n LEU 2616N -1.91 2.05 -1.67 1.32 4.77 -1.26 -4.85 117.00 115.45 2ckc n LEU 2616Ca -0.02 -1.03 -0.20 0.00 -0.03 0.00 0.00 56.01 54.72 2ckc n LEU 2616Cb 0.56 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 2ckc n LEU 2616CO 0.50 0.34 -0.20 0.49 -1.33 0.00 0.00 177.39 177.19 2ckc n PHE 2617N 0.17 -0.13 -2.74 -1.77 3.01 -1.26 -4.88 117.46 109.86 2ckc n PHE 2617Ca 0.08 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.11 2ckc n PHE 2617Cb 0.43 -3.46 -0.02 0.00 -0.01 0.00 0.00 39.48 36.42 2ckc n PHE 2617CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2ckc s SER 2618N -2.66 6.67 0.00 4.37 0.15 -1.26 -4.20 113.70 116.77 2ckc s SER 2618Ca 0.00 -2.01 0.00 0.00 0.70 0.00 0.00 55.95 54.64 2ckc s SER 2618Cb 0.00 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2ckc s SER 2618CO 0.00 -1.20 0.00 -1.20 1.20 0.00 0.00 173.24 172.04 2ckc n SER 2619N 7.58 0.00 -4.07 5.45 7.64 -1.26 -4.91 113.62 124.04 2ckc n SER 2619Ca 0.33 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 60.04 2ckc n SER 2619Cb 0.49 -0.61 -0.13 0.00 -1.01 0.00 0.00 64.21 62.95 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 -2.21 0.87 0.11 1.43 0.08 -1.26 -5.02 117.98 111.98 2ckc s PHE 2620Ca 0.00 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 56.72 2ckc s PHE 2620Cb 0.00 -0.53 0.00 0.00 -0.57 0.00 0.00 43.02 41.92 2ckc s PHE 2620CO 0.00 -0.01 0.00 0.94 -0.10 0.00 0.00 175.22 176.05 2ckc n GLN 2621N 2.04 0.00 0.00 0.44 7.27 -1.26 -3.97 117.38 121.90 2ckc n GLN 2621Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.89 2ckc n GLN 2621Cb 0.56 -0.13 0.00 0.00 2.41 0.00 0.00 30.24 33.08 2ckc n GLN 2621CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30