#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3t s ALA -2 N 0.00 2.73 0.42 4.61 0.00 -1.26 -5.02 121.76 123.24 2k3t s ALA -2 Ca 0.00 0.82 -0.23 0.00 0.00 0.00 0.00 51.96 52.55 2k3t s ALA -2 Cb 0.00 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 2k3t s ALA -2 CO 0.00 -0.72 1.05 -1.64 0.00 0.00 0.00 175.76 174.45 2k3t s MET -1 N -3.23 4.08 0.84 0.00 -1.94 -1.26 -4.66 119.30 113.14 2k3t s MET -1 Ca 0.72 1.50 -0.14 0.00 -1.71 0.00 0.00 55.69 56.05 2k3t s MET -1 Cb -0.24 -2.45 0.20 0.00 2.01 0.00 0.00 34.83 34.35 2k3t s MET -1 CO 0.27 -0.21 1.10 0.41 -0.01 0.00 0.00 175.02 176.58 2k3t n GLY 2427N 0.23 -1.58 3.64 -0.03 0.00 -0.35 -4.97 105.19 102.13 2k3t n GLY 2427Ca 0.06 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.05 2k3t n GLY 2427CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k3t s ASP 2428N -4.98 5.33 0.54 1.61 1.01 -1.26 -4.83 116.67 114.09 2k3t s ASP 2428Ca 0.63 0.08 0.24 0.00 0.71 0.00 0.00 52.55 54.21 2k3t s ASP 2428Cb -0.02 -1.73 1.43 0.00 1.01 0.00 0.00 42.92 43.60 2k3t s ASP 2428CO 0.45 0.27 2.06 -0.65 0.21 0.00 0.00 175.17 177.50 2k3t h PRO 2429N 5.98 0.00 0.00 8.23 0.11 -1.90 -1.34 132.00 143.08 2k3t h PRO 2429Ca -0.42 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.64 2k3t h PRO 2429Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2k3t h PRO 2429CO 0.62 0.00 -0.24 0.78 -0.21 0.00 0.00 178.00 178.95 2k3t h GLY 2430N 0.00 0.00 1.23 -0.55 0.00 -1.93 -2.08 103.07 99.74 2k3t h GLY 2430Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.20 2k3t h GLY 2430CO -0.00 0.00 -1.54 1.41 0.00 0.00 0.00 176.54 176.41 2k3t h LEU 2431N 0.00 0.13 -9.83 3.11 -0.00 -1.67 -3.44 115.31 103.62 2k3t h LEU 2431Ca -0.00 -0.22 -0.53 0.00 -0.00 0.00 0.00 57.88 57.13 2k3t h LEU 2431Cb 1.04 -0.04 0.07 0.00 -0.00 0.00 0.00 40.66 41.73 2k3t h LEU 2431CO 0.03 1.19 0.72 -0.69 -0.00 0.00 0.00 178.44 179.69 2k3t s VAL 2432N -2.62 2.57 0.00 1.22 1.01 -0.60 -4.43 120.40 117.55 2k3t s VAL 2432Ca -0.06 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2k3t s VAL 2432Cb 0.08 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2k3t s VAL 2432CO 0.83 0.11 0.00 -0.24 0.00 0.00 0.00 175.10 175.79 2k3t n SER 2433N 1.46 0.92 -3.75 3.32 2.88 -0.94 -3.52 113.62 113.98 2k3t n SER 2433Ca 0.03 -0.98 -0.13 0.00 -1.33 0.00 0.00 58.87 56.46 2k3t n SER 2433Cb 0.41 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.76 2k3t n SER 2433CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k3t s ALA 2434N -2.00 -0.87 0.01 -1.46 0.00 -1.26 -0.74 121.76 115.44 2k3t s ALA 2434Ca 0.00 0.88 -0.09 0.00 0.00 0.00 0.00 51.96 52.75 2k3t s ALA 2434Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.67 2k3t s ALA 2434CO 0.00 -0.19 0.17 0.71 0.00 0.00 0.00 175.76 176.46 2k3t s TYR 2435N -0.11 0.02 0.00 0.00 2.02 -0.50 -4.95 117.35 113.83 2k3t s TYR 2435Ca -0.03 -0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 2k3t s TYR 2435Cb -0.03 -0.03 0.00 0.00 -0.40 0.00 0.00 41.96 41.50 2k3t s TYR 2435CO 0.01 -0.34 0.00 0.41 -1.57 0.00 0.00 175.55 174.06 2k3t n GLY 2436N 1.18 2.96 0.26 0.71 0.00 -1.26 -0.43 105.19 108.61 2k3t n GLY 2436Ca -0.21 -2.00 0.09 0.00 0.00 0.00 0.00 46.02 43.89 2k3t n GLY 2436CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3t h ALA 2437N 0.00 1.79 0.00 4.61 0.00 -1.86 -2.82 119.26 120.97 2k3t h ALA 2437Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k3t h ALA 2437Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2k3t h ALA 2437CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.72 2k3t n GLY 2438N -1.32 -1.05 0.13 0.00 0.00 0.02 -1.06 105.19 101.93 2k3t n GLY 2438Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2k3t n GLY 2438CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k3t h LEU 2439N 0.00 0.00 0.02 0.99 3.38 -1.77 -3.28 115.31 114.65 2k3t h LEU 2439Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 2k3t h LEU 2439Cb 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2k3t h LEU 2439CO 0.00 0.61 -1.60 -0.33 0.09 0.00 0.00 178.44 177.21 2k3t h GLU 2440N 0.00 0.04 0.00 1.13 4.39 -1.29 -3.27 114.58 115.57 2k3t h GLU 2440Ca -0.01 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2k3t h GLU 2440Cb 1.26 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 2k3t h GLU 2440CO 0.08 0.68 0.00 0.41 -1.16 0.00 0.00 179.01 179.02 2k3t n GLY 2441N 1.56 0.23 0.00 -3.84 0.00 -0.61 -0.97 105.19 101.57 2k3t n GLY 2441Ca -0.15 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.95 2k3t n GLY 2441CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3t n GLY 2442N 0.00 -0.79 3.86 -0.02 0.00 -1.16 -4.42 105.19 102.67 2k3t n GLY 2442Ca 0.00 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 2k3t n GLY 2442CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k3t s VAL 2443N -3.00 4.95 0.41 1.61 1.01 -1.26 -2.97 120.40 121.15 2k3t s VAL 2443Ca 0.00 0.61 -0.25 0.00 0.00 0.00 0.00 61.98 62.34 2k3t s VAL 2443Cb 0.00 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.60 2k3t s VAL 2443CO 0.00 0.18 1.14 0.35 0.00 0.00 0.00 175.10 176.77 2k3t n THR 2444N 0.59 2.48 -0.83 3.92 -2.24 -0.46 -2.73 114.28 115.02 2k3t n THR 2444Ca -0.05 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2k3t n THR 2444Cb 0.52 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 2k3t n THR 2444CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k3t n GLY 2445N 1.00 0.59 3.43 3.38 0.00 -0.29 -4.91 105.19 108.38 2k3t n GLY 2445Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2k3t n GLY 2445CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k3t s ASN 2446N -2.56 3.53 0.13 1.61 0.01 -1.10 -5.02 114.94 111.53 2k3t s ASN 2446Ca 0.00 -0.67 -0.30 0.00 -0.71 0.00 0.00 52.86 51.18 2k3t s ASN 2446Cb 0.00 -0.35 -0.07 0.00 0.41 0.00 0.00 41.25 41.25 2k3t s ASN 2446CO 0.00 0.18 1.16 -2.16 -1.51 0.00 0.00 177.10 174.77 2k3t s PRO 2447N -2.06 4.50 -0.25 -0.60 0.04 -1.26 -4.36 135.00 131.01 2k3t s PRO 2447Ca 0.15 1.77 -0.08 0.00 0.04 0.00 0.00 61.00 62.88 2k3t s PRO 2447Cb -0.10 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 2k3t s PRO 2447CO 0.07 -0.10 0.08 0.00 0.04 0.00 0.00 177.00 177.09 2k3t s ALA 2448N 0.37 3.18 -0.05 8.56 0.00 0.03 -4.95 121.76 128.91 2k3t s ALA 2448Ca 0.54 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 51.41 2k3t s ALA 2448Cb -0.30 -2.11 -0.00 0.00 0.00 0.00 0.00 23.12 20.71 2k3t s ALA 2448CO 0.33 -0.50 -0.19 -2.00 0.00 0.00 0.00 175.76 173.40 2k3t s GLU 2449N 1.62 1.98 0.25 0.00 2.12 -1.26 -1.41 118.70 122.01 2k3t s GLU 2449Ca 0.06 -0.68 -0.14 0.00 0.36 0.00 0.00 54.97 54.58 2k3t s GLU 2449Cb -0.15 -1.70 -0.00 0.00 0.26 0.00 0.00 34.13 32.54 2k3t s GLU 2449CO 0.04 0.27 0.52 -0.59 -0.54 0.00 0.00 175.26 174.95 2k3t s PHE 2450N 0.02 0.29 -0.06 5.30 -0.71 -0.49 -0.80 117.98 121.53 2k3t s PHE 2450Ca -0.04 -0.67 0.04 0.00 -1.04 0.00 0.00 56.93 55.21 2k3t s PHE 2450Cb -0.12 0.27 0.00 0.00 -1.21 0.00 0.00 43.02 41.96 2k3t s PHE 2450CO 0.03 -1.04 -0.17 0.08 -1.34 0.00 0.00 175.22 172.78 2k3t s VAL 2451N -3.97 1.44 -0.53 -2.49 1.01 0.43 -0.50 120.40 115.78 2k3t s VAL 2451Ca 0.21 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.23 2k3t s VAL 2451Cb -0.01 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 35.14 2k3t s VAL 2451CO 0.09 0.42 1.06 -0.69 0.00 0.00 0.00 175.10 175.97 2k3t s VAL 2452N 0.27 4.25 -0.40 2.92 1.01 0.41 -1.41 120.40 127.44 2k3t s VAL 2452Ca -0.09 0.75 -0.26 0.00 0.00 0.00 0.00 61.98 62.37 2k3t s VAL 2452Cb -0.14 -4.59 0.02 0.00 0.00 0.00 0.00 36.38 31.67 2k3t s VAL 2452CO 0.04 -1.11 0.97 0.21 0.00 0.00 0.00 175.10 175.20 2k3t s ASN 2453N 2.69 6.66 0.00 3.32 3.84 0.08 -1.93 114.94 129.60 2k3t s ASN 2453Ca 0.39 0.52 0.22 0.00 0.21 0.00 0.00 52.86 54.20 2k3t s ASN 2453Cb -0.09 -2.48 -0.05 0.00 -0.55 0.00 0.00 41.25 38.07 2k3t s ASN 2453CO 0.25 -0.95 1.04 0.35 -2.79 0.00 0.00 177.10 175.00 2k3t n THR 2454N 6.18 0.00 -0.01 -5.21 -2.24 -1.26 -2.22 114.28 109.53 2k3t n THR 2454Ca 0.08 -0.17 0.16 0.00 -2.27 0.00 0.00 64.05 61.85 2k3t n THR 2454Cb 0.48 1.14 0.61 0.00 -2.10 0.00 0.00 70.33 70.46 2k3t n THR 2454CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2k3t h SER 2455N 1.59 0.14 1.23 3.42 0.02 -1.81 0.22 113.55 118.35 2k3t h SER 2455Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3t h SER 2455Cb 0.67 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2k3t h SER 2455CO 0.00 0.08 -0.35 0.78 -1.14 0.00 0.00 176.83 176.20 2k3t h ASN 2456N 0.15 0.00 0.00 3.07 2.35 -1.82 -3.37 115.58 115.96 2k3t h ASN 2456Ca 0.24 -0.09 -0.15 0.00 -0.55 0.00 0.00 56.30 55.75 2k3t h ASN 2456Cb 0.74 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 2k3t h ASN 2456CO -0.03 0.05 -1.84 0.00 -1.65 0.00 0.00 177.43 173.95 2k3t n ALA 2457N -1.87 2.04 0.00 -0.83 0.00 -0.12 -4.88 120.51 114.85 2k3t n ALA 2457Ca 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2k3t n ALA 2457Cb 0.45 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.66 2k3t n ALA 2457CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3t n GLY 2458N 1.93 1.04 3.38 0.00 0.00 -0.14 -4.01 105.19 107.39 2k3t n GLY 2458Ca -0.14 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 2k3t n GLY 2458CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3t s ALA 2459N -1.50 -0.56 0.00 4.61 0.00 -1.26 -4.61 121.76 118.43 2k3t s ALA 2459Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2k3t s ALA 2459Cb 0.00 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.90 2k3t s ALA 2459CO 0.00 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.48 2k3t n GLY 2460N -0.24 1.25 3.77 0.00 0.00 -1.26 -1.22 105.19 107.49 2k3t n GLY 2460Ca -0.11 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 2k3t n GLY 2460CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3t s ALA 2461N -2.00 3.18 -0.01 4.61 0.00 -1.26 -4.89 121.76 121.38 2k3t s ALA 2461Ca 0.00 0.85 0.04 0.00 0.00 0.00 0.00 51.96 52.85 2k3t s ALA 2461Cb 0.00 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 2k3t s ALA 2461CO 0.00 -0.33 -0.14 -1.17 0.00 0.00 0.00 175.76 174.12 2k3t s LEU 2462N -2.32 2.00 -0.34 0.00 2.96 -1.26 -1.09 118.68 118.62 2k3t s LEU 2462Ca 0.55 -0.26 0.16 0.00 -0.22 0.00 0.00 54.13 54.36 2k3t s LEU 2462Cb -0.28 -0.74 0.43 0.00 0.50 0.00 0.00 46.19 46.10 2k3t s LEU 2462CO 0.35 0.16 0.90 -1.20 -1.32 0.00 0.00 176.35 175.24 2k3t n SER 2463N 2.81 1.35 -4.76 3.68 7.64 0.22 -5.01 113.62 119.56 2k3t n SER 2463Ca -0.15 -2.81 -0.41 0.00 1.01 0.00 0.00 58.87 56.51 2k3t n SER 2463Cb 0.55 -0.55 -0.02 0.00 -1.01 0.00 0.00 64.21 63.17 2k3t n SER 2463CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2k3t s VAL 2464N -2.98 2.67 0.00 0.44 1.01 -1.26 -4.00 120.40 116.28 2k3t s VAL 2464Ca 0.31 0.61 0.07 0.00 0.00 0.00 0.00 61.98 62.97 2k3t s VAL 2464Cb 0.43 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 2k3t s VAL 2464CO 0.00 0.12 -0.22 -0.89 0.00 0.00 0.00 175.10 174.11 2k3t s THR 2465N -0.47 1.74 -0.25 3.92 2.01 -0.67 -4.98 115.64 116.95 2k3t s THR 2465Ca 0.55 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 2k3t s THR 2465Cb -0.41 -1.47 0.03 0.00 0.01 0.00 0.00 72.50 70.66 2k3t s THR 2465CO 0.48 0.42 -0.07 -0.63 -0.69 0.00 0.00 174.62 174.12 2k3t s ILE 2466N -0.59 2.73 0.31 1.82 1.01 -1.26 -0.49 121.20 124.72 2k3t s ILE 2466Ca 0.08 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.63 2k3t s ILE 2466Cb -0.09 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 2k3t s ILE 2466CO -0.00 0.18 0.50 -0.62 0.00 0.00 0.00 174.94 175.00 2k3t s ASP 2467N 1.29 6.32 0.00 3.58 2.15 -0.45 -4.91 116.67 124.65 2k3t s ASP 2467Ca -0.01 0.42 0.00 0.00 0.43 0.00 0.00 52.55 53.39 2k3t s ASP 2467Cb -0.17 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 2k3t s ASP 2467CO -0.05 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 2k3t n GLY 2468N -1.49 -1.32 0.22 2.66 0.00 -1.26 -0.71 105.19 103.30 2k3t n GLY 2468Ca -0.05 -0.94 0.09 0.00 0.00 0.00 0.00 46.02 45.12 2k3t n GLY 2468CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3t h PRO 2469N 0.00 0.00 -4.50 1.61 0.13 -1.90 -3.46 132.00 123.89 2k3t h PRO 2469Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.83 2k3t h PRO 2469Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 2k3t h PRO 2469CO 0.00 0.24 -0.44 -1.12 -0.23 0.00 0.00 178.00 176.45 2k3t s SER 2470N -6.38 0.76 0.99 1.44 0.01 -1.26 -5.06 113.70 104.20 2k3t s SER 2470Ca -0.02 -1.48 -0.12 0.00 1.31 0.00 0.00 55.95 55.65 2k3t s SER 2470Cb 0.12 0.51 0.18 0.00 0.21 0.00 0.00 66.02 67.05 2k3t s SER 2470CO 0.64 -1.03 1.08 -0.54 0.41 0.00 0.00 173.24 173.80 2k3t s LYS 2471N -3.70 0.50 0.05 12.44 1.02 -1.26 -4.95 119.74 123.83 2k3t s LYS 2471Ca 0.36 0.83 0.04 0.00 0.02 0.00 0.00 55.97 57.22 2k3t s LYS 2471Cb 0.03 -1.72 -0.02 0.00 -0.52 0.00 0.00 37.83 35.60 2k3t s LYS 2471CO 0.18 -2.76 -0.13 0.14 -0.92 0.00 0.00 175.35 171.86 2k3t s VAL 2472N -2.80 0.99 -1.43 3.17 -7.23 -1.26 -4.30 120.40 107.54 2k3t s VAL 2472Ca 0.65 -1.05 -0.11 0.00 -1.81 0.00 0.00 61.98 59.66 2k3t s VAL 2472Cb -0.20 -0.93 0.06 0.00 0.56 0.00 0.00 36.38 35.86 2k3t s VAL 2472CO 0.59 -0.11 2.27 1.17 -0.31 0.00 0.00 175.10 178.71 2k3t n LYS 2473N 1.72 3.32 -2.51 4.82 4.81 -0.91 -4.89 118.16 124.52 2k3t n LYS 2473Ca -0.19 -2.84 -0.41 0.00 -0.87 0.00 0.00 58.31 54.00 2k3t n LYS 2473Cb 0.55 -3.07 -0.04 0.00 0.02 0.00 0.00 35.03 32.49 2k3t n LYS 2473CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 2k3t s MET 2474N 1.98 4.60 -0.04 1.64 1.75 -1.26 -3.29 119.30 124.67 2k3t s MET 2474Ca 0.49 1.72 -0.02 0.00 -1.25 0.00 0.00 55.69 56.64 2k3t s MET 2474Cb 0.14 -3.27 0.03 0.00 2.84 0.00 0.00 34.83 34.58 2k3t s MET 2474CO -0.06 0.10 0.09 0.34 -0.65 0.00 0.00 175.02 174.84 2k3t s ASP 2475N -0.21 0.04 0.09 1.11 2.15 0.16 -4.99 116.67 115.02 2k3t s ASP 2475Ca 0.49 0.18 0.07 0.00 0.43 0.00 0.00 52.55 53.71 2k3t s ASP 2475Cb -0.30 0.06 -0.04 0.00 -0.30 0.00 0.00 42.92 42.35 2k3t s ASP 2475CO 0.35 -0.15 -0.13 0.00 -0.17 0.00 0.00 175.17 175.08 2k3t s GLN 2477N -2.00 0.65 -0.29 0.00 2.00 -0.34 -5.02 119.66 114.66 2k3t s GLN 2477Ca 0.19 -0.03 -0.21 0.00 -2.00 0.00 0.00 55.36 53.31 2k3t s GLN 2477Cb -0.11 0.29 -0.01 0.00 0.80 0.00 0.00 33.01 33.99 2k3t s GLN 2477CO 0.11 -0.17 0.68 -2.00 -0.50 0.00 0.00 175.29 173.42 2k3t s GLU 2478N -1.03 3.96 0.34 1.67 2.12 -1.26 -0.58 118.70 123.92 2k3t s GLU 2478Ca -0.11 0.45 0.08 0.00 0.36 0.00 0.00 54.97 55.74 2k3t s GLU 2478Cb -0.04 -3.71 -0.07 0.00 0.26 0.00 0.00 34.13 30.57 2k3t s GLU 2478CO 0.04 -0.57 -0.05 0.00 -0.54 0.00 0.00 175.26 174.13 2k3t h PRO 2480N 2.05 0.04 0.00 0.00 0.11 -2.03 -1.55 132.00 130.62 2k3t h PRO 2480Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2k3t h PRO 2480Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2k3t h PRO 2480CO 0.72 0.02 0.00 -1.91 -0.21 0.00 0.00 178.00 176.62 2k3t n GLU 2481N -4.48 0.22 0.00 1.05 4.07 -1.26 -4.92 120.64 115.33 2k3t n GLU 2481Ca 0.02 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 2k3t n GLU 2481Cb 0.29 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.17 2k3t n GLU 2481CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k3t n GLY 2482N 1.17 0.29 3.59 8.31 0.00 -0.58 -4.06 105.19 113.89 2k3t n GLY 2482Ca 0.10 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 2k3t n GLY 2482CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k3t s TYR 2483N 0.00 2.12 0.17 1.61 2.02 -0.81 -1.43 117.35 121.03 2k3t s TYR 2483Ca 0.00 0.63 -0.30 0.00 -0.37 0.00 0.00 57.07 57.03 2k3t s TYR 2483Cb 0.00 -4.25 -0.07 0.00 -0.40 0.00 0.00 41.96 37.23 2k3t s TYR 2483CO 0.00 -2.30 0.98 0.50 -1.57 0.00 0.00 175.55 173.16 2k3t s ARG 2484N 5.53 4.74 -0.09 -0.62 3.52 0.25 -0.45 118.95 131.83 2k3t s ARG 2484Ca 0.65 1.51 0.01 0.00 -0.13 0.00 0.00 55.73 57.78 2k3t s ARG 2484Cb -0.15 -3.32 0.02 0.00 -1.56 0.00 0.00 34.95 29.93 2k3t s ARG 2484CO 0.30 0.30 -0.11 0.08 -0.81 0.00 0.00 175.30 175.06 2k3t s VAL 2485N -0.50 1.19 -0.02 7.11 1.01 0.34 -1.20 120.40 128.33 2k3t s VAL 2485Ca 0.45 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 62.04 2k3t s VAL 2485Cb -0.25 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 2k3t s VAL 2485CO 0.32 0.38 -0.21 -0.89 0.00 0.00 0.00 175.10 174.70 2k3t s THR 2486N 1.09 1.64 0.00 3.92 2.01 -0.46 -1.40 115.64 122.44 2k3t s THR 2486Ca -0.06 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 60.95 2k3t s THR 2486Cb -0.14 -1.37 0.01 0.00 0.01 0.00 0.00 72.50 71.01 2k3t s THR 2486CO -0.02 0.46 0.22 -0.72 -0.69 0.00 0.00 174.62 173.88 2k3t s TYR 2487N -0.45 -0.05 -0.28 4.92 1.13 -0.50 -0.66 117.35 121.45 2k3t s TYR 2487Ca 0.07 0.02 -0.06 0.00 -1.41 0.00 0.00 57.07 55.70 2k3t s TYR 2487Cb -0.08 0.02 0.01 0.00 -1.10 0.00 0.00 41.96 40.81 2k3t s TYR 2487CO -0.00 -0.35 0.05 0.99 -2.51 0.00 0.00 175.55 173.72 2k3t s THR 2488N -1.49 3.73 0.39 -3.49 2.01 -1.21 -0.79 115.64 114.79 2k3t s THR 2488Ca -0.13 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 60.92 2k3t s THR 2488Cb -0.06 -2.91 -0.10 0.00 0.01 0.00 0.00 72.50 69.43 2k3t s THR 2488CO 0.02 0.12 0.90 -2.16 -0.69 0.00 0.00 174.62 172.80 2k3t s PRO 2489N 1.46 4.23 0.00 4.92 0.04 -1.26 -2.15 135.00 142.25 2k3t s PRO 2489Ca 0.02 1.04 0.02 0.00 0.04 0.00 0.00 61.00 62.12 2k3t s PRO 2489Cb -0.17 -2.34 0.03 0.00 0.04 0.00 0.00 34.50 32.07 2k3t s PRO 2489CO 0.01 0.06 0.86 0.00 0.04 0.00 0.00 177.00 177.98 2k3t n MET 2490N -0.38 1.63 -3.70 4.56 0.00 -1.26 -1.14 117.12 116.84 2k3t n MET 2490Ca 0.05 -1.23 -0.14 0.00 0.00 0.00 0.00 57.70 56.38 2k3t n MET 2490Cb 0.53 -1.04 -0.08 0.00 0.00 0.00 0.00 33.22 32.63 2k3t n MET 2490CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k3t s ALA 2491N -0.69 -1.08 0.66 3.17 0.00 -1.26 -1.37 121.76 121.19 2k3t s ALA 2491Ca 0.03 0.76 -0.14 0.00 0.00 0.00 0.00 51.96 52.62 2k3t s ALA 2491Cb 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 2k3t s ALA 2491CO 0.02 -0.27 1.07 -1.25 0.00 0.00 0.00 175.76 175.33 2k3t s PRO 2492N -0.94 2.96 0.00 0.00 0.04 -1.26 -4.82 135.00 130.97 2k3t s PRO 2492Ca -0.10 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2k3t s PRO 2492Cb -0.04 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2k3t s PRO 2492CO 0.05 -1.10 0.00 0.41 0.04 0.00 0.00 177.00 176.40 2k3t n GLY 2493N -1.18 0.59 3.06 0.56 0.00 -0.49 -4.87 105.19 102.86 2k3t n GLY 2493Ca 0.09 -1.68 -0.24 0.00 0.00 0.00 0.00 46.02 44.19 2k3t n GLY 2493CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3t s SER 2494N -4.00 1.77 -0.19 1.61 0.01 -1.26 -0.43 113.70 111.21 2k3t s SER 2494Ca 0.00 -0.29 -0.05 0.00 1.31 0.00 0.00 55.95 56.92 2k3t s SER 2494Cb 0.00 -0.59 -0.03 0.00 0.21 0.00 0.00 66.02 65.61 2k3t s SER 2494CO 0.00 0.09 0.01 -0.31 0.41 0.00 0.00 173.24 173.44 2k3t s TYR 2495N 0.27 3.09 -0.38 2.43 1.51 0.20 -4.32 117.35 120.15 2k3t s TYR 2495Ca -0.07 -0.27 -0.15 0.00 -1.01 0.00 0.00 57.07 55.58 2k3t s TYR 2495Cb -0.12 -2.06 0.00 0.00 -0.11 0.00 0.00 41.96 39.67 2k3t s TYR 2495CO 0.02 -0.09 0.32 -1.17 -1.11 0.00 0.00 175.55 173.53 2k3t s LEU 2496N 0.71 4.75 -0.53 -1.29 2.96 0.12 -0.84 118.68 124.56 2k3t s LEU 2496Ca 0.01 -0.58 -0.18 0.00 -0.22 0.00 0.00 54.13 53.16 2k3t s LEU 2496Cb -0.14 -2.24 0.08 0.00 0.50 0.00 0.00 46.19 44.40 2k3t s LEU 2496CO 0.02 -0.39 0.58 -0.63 -1.32 0.00 0.00 176.35 174.61 2k3t s ILE 2497N 1.85 4.99 -0.83 6.68 1.01 0.07 -1.34 121.20 133.62 2k3t s ILE 2497Ca 0.08 -0.88 -0.16 0.00 0.00 0.00 0.00 60.65 59.69 2k3t s ILE 2497Cb -0.18 -4.31 0.18 0.00 0.01 0.00 0.00 42.46 38.16 2k3t s ILE 2497CO 0.11 -0.85 0.85 -0.44 0.00 0.00 0.00 174.94 174.62 2k3t s SER 2498N 3.03 6.66 -0.57 3.58 0.01 0.35 -1.43 113.70 125.34 2k3t s SER 2498Ca 0.10 -2.39 -0.23 0.00 1.31 0.00 0.00 55.95 54.74 2k3t s SER 2498Cb -0.23 -2.27 0.05 0.00 0.21 0.00 0.00 66.02 63.78 2k3t s SER 2498CO 0.08 -0.76 0.91 -0.63 0.41 0.00 0.00 173.24 173.25 2k3t s ILE 2499N 1.10 4.44 -0.08 1.44 1.01 -1.26 -1.66 121.20 126.18 2k3t s ILE 2499Ca 0.21 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.93 2k3t s ILE 2499Cb -0.10 -4.54 -0.03 0.00 0.01 0.00 0.00 42.46 37.80 2k3t s ILE 2499CO -0.08 -1.14 -0.07 -0.54 0.00 0.00 0.00 174.94 173.12 2k3t s LYS 2500N 3.81 2.91 0.02 2.79 1.02 -1.26 -1.21 119.74 127.82 2k3t s LYS 2500Ca 0.27 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.71 2k3t s LYS 2500Cb -0.14 -2.63 -0.02 0.00 -0.52 0.00 0.00 37.83 34.52 2k3t s LYS 2500CO 0.17 0.58 -0.03 -0.47 -0.92 0.00 0.00 175.35 174.67 2k3t s TYR 2501N -0.58 0.29 -1.64 3.18 5.04 -0.65 -0.61 117.35 122.38 2k3t s TYR 2501Ca 0.09 -0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.29 2k3t s TYR 2501Cb -0.12 -0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.00 2k3t s TYR 2501CO 0.02 -0.14 0.00 0.41 -1.34 0.00 0.00 175.55 174.50 2k3t n GLY 2502N 1.86 1.43 0.00 8.97 0.00 -0.25 -4.35 105.19 112.84 2k3t n GLY 2502Ca -0.22 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2k3t n GLY 2502CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3t n GLY 2503N -1.04 0.53 1.85 -0.02 0.00 -1.26 -4.94 105.19 100.31 2k3t n GLY 2503Ca -0.16 -2.18 -0.11 0.00 0.00 0.00 0.00 46.02 43.57 2k3t n GLY 2503CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k3t n PRO 2504N -0.17 1.63 -4.72 1.61 -0.04 -1.26 -4.76 135.00 127.28 2k3t n PRO 2504Ca 0.00 -0.96 -0.26 0.00 -0.04 0.00 0.00 63.50 62.24 2k3t n PRO 2504Cb 0.00 -1.54 -0.16 0.00 -0.04 0.00 0.00 33.50 31.75 2k3t n PRO 2504CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2k3t s TYR 2505N -0.50 1.62 0.43 0.54 2.02 -1.26 -4.98 117.35 115.21 2k3t s TYR 2505Ca 0.31 -0.56 -0.26 0.00 -0.37 0.00 0.00 57.07 56.19 2k3t s TYR 2505Cb 0.19 -1.14 -0.09 0.00 -0.40 0.00 0.00 41.96 40.52 2k3t s TYR 2505CO -0.03 -0.25 1.46 -1.01 -1.57 0.00 0.00 175.55 174.15 2k3t s HIS 2506N 0.40 2.48 0.84 2.71 3.76 -1.26 -1.64 115.29 122.58 2k3t s HIS 2506Ca -0.11 1.21 -0.12 0.00 -0.15 0.00 0.00 55.06 55.89 2k3t s HIS 2506Cb -0.14 -3.98 0.10 0.00 1.11 0.00 0.00 32.58 29.66 2k3t s HIS 2506CO 0.04 -3.04 1.18 0.96 -0.85 0.00 0.00 174.74 173.03 2k3t s ILE 2507N -1.17 2.00 -0.17 0.60 -5.25 -0.35 -4.82 121.20 112.04 2k3t s ILE 2507Ca 0.58 0.00 -0.28 0.00 -0.99 0.00 0.00 60.65 59.96 2k3t s ILE 2507Cb -0.45 -2.96 -0.06 0.00 2.95 0.00 0.00 42.46 41.94 2k3t s ILE 2507CO 0.60 0.00 2.17 -0.83 -1.79 0.00 0.00 174.94 175.09 2k3t s GLY 2508N -4.52 0.70 0.00 6.27 0.00 -0.79 -1.31 107.32 107.66 2k3t s GLY 2508Ca 0.63 0.89 0.00 0.00 0.00 0.00 0.00 44.72 46.24 2k3t s GLY 2508CO 0.50 3.74 0.00 0.61 0.00 0.00 0.00 173.10 177.95 2k3t n GLY 2509N 5.52 0.63 3.80 0.20 0.00 -1.26 -4.72 105.19 109.35 2k3t n GLY 2509Ca 0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 2k3t n GLY 2509CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k3t s SER 2510N -2.58 7.12 0.57 1.61 0.15 -0.43 -4.38 113.70 115.76 2k3t s SER 2510Ca 0.00 1.79 -0.14 0.00 0.70 0.00 0.00 55.95 58.30 2k3t s SER 2510Cb 0.00 -2.56 -0.06 0.00 -1.71 0.00 0.00 66.02 61.69 2k3t s SER 2510CO 0.00 -0.23 1.00 -2.16 1.20 0.00 0.00 173.24 173.05 2k3t s PRO 2511N -2.58 3.76 -0.18 5.44 0.04 -1.26 -4.78 135.00 135.43 2k3t s PRO 2511Ca 0.56 0.84 -0.04 0.00 0.04 0.00 0.00 61.00 62.40 2k3t s PRO 2511Cb -0.15 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 2k3t s PRO 2511CO 0.19 -0.42 -0.03 -0.06 0.04 0.00 0.00 177.00 176.72 2k3t s PHE 2512N -2.91 2.99 -0.63 0.56 0.40 -0.51 -4.92 117.98 112.96 2k3t s PHE 2512Ca 0.57 -0.53 -0.23 0.00 -0.60 0.00 0.00 56.93 56.14 2k3t s PHE 2512Cb -0.10 -2.03 0.06 0.00 0.51 0.00 0.00 43.02 41.46 2k3t s PHE 2512CO 0.43 -0.25 0.95 -1.59 0.70 0.00 0.00 175.22 175.47 2k3t s LYS 2513N 0.86 3.16 -0.20 0.44 0.00 -1.26 -0.76 119.74 121.98 2k3t s LYS 2513Ca -0.00 -0.69 -0.22 0.00 0.00 0.00 0.00 55.97 55.06 2k3t s LYS 2513Cb -0.14 -4.18 -0.02 0.00 0.00 0.00 0.00 37.83 33.48 2k3t s LYS 2513CO 0.02 -1.72 0.67 0.00 0.00 0.00 0.00 175.35 174.31 2k3t s ALA 2514N 4.02 3.55 -0.12 0.59 0.00 -0.02 -4.76 121.76 125.02 2k3t s ALA 2514Ca 0.24 -0.24 -0.12 0.00 0.00 0.00 0.00 51.96 51.84 2k3t s ALA 2514Cb -0.16 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 2k3t s ALA 2514CO 0.12 -0.62 0.26 0.15 0.00 0.00 0.00 175.76 175.67 2k3t s LYS 2515N 2.07 3.95 -0.01 0.00 1.02 -0.14 -0.63 119.74 125.99 2k3t s LYS 2515Ca 0.30 0.06 0.04 0.00 0.02 0.00 0.00 55.97 56.39 2k3t s LYS 2515Cb -0.16 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 2k3t s LYS 2515CO 0.10 0.49 -0.12 0.08 -0.92 0.00 0.00 175.35 174.98 2k3t s VAL 2516N -0.29 0.98 0.27 3.17 1.01 0.42 -2.96 120.40 123.00 2k3t s VAL 2516Ca 0.17 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.65 2k3t s VAL 2516Cb -0.13 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 2k3t s VAL 2516CO 0.05 0.28 0.11 0.42 0.00 0.00 0.00 175.10 175.96 2k3t s THR 2517N -0.19 0.51 0.00 3.92 -4.23 -1.16 -1.39 115.64 113.11 2k3t s THR 2517Ca 0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 2k3t s THR 2517Cb -0.06 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.17 2k3t s THR 2517CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2k3t n GLY 2518N -0.50 0.72 3.74 3.99 0.00 -1.26 -1.35 105.19 110.54 2k3t n GLY 2518Ca 0.00 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 2k3t n GLY 2518CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k3t s PRO 2519N -1.14 4.45 0.16 1.61 0.04 -1.26 -4.32 135.00 134.55 2k3t s PRO 2519Ca 0.00 1.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 2k3t s PRO 2519Cb 0.00 -3.19 -0.08 0.00 0.04 0.00 0.00 34.50 31.27 2k3t s PRO 2519CO 0.00 -0.12 1.28 0.50 0.04 0.00 0.00 177.00 178.70 2k3t s ARG 2520N -0.56 4.40 0.30 4.56 3.52 -1.26 -4.74 118.95 125.17 2k3t s ARG 2520Ca 0.53 1.97 0.16 0.00 -0.13 0.00 0.00 55.73 58.26 2k3t s ARG 2520Cb -0.35 -3.24 0.21 0.00 -1.56 0.00 0.00 34.95 30.01 2k3t s ARG 2520CO 0.40 -0.26 1.51 -0.07 -0.81 0.00 0.00 175.30 176.07 2k3t h LEU 2521N 5.88 0.00 0.00 -0.88 -0.00 -1.61 -3.49 115.31 115.21 2k3t h LEU 2521Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 2k3t h LEU 2521Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 2k3t h LEU 2521CO 0.79 0.50 0.00 0.52 -0.00 0.00 0.00 178.44 180.25