#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 -1.11 0.21 4.61 0.00 -1.26 -5.02 121.76 119.18 2k3t s ALA -2 Ca 0.00 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 2k3t s ALA -2 Cb 0.00 0.42 -0.09 0.00 0.00 0.00 0.00 23.12 23.44 2k3t s ALA -2 CO 0.00 -0.50 1.40 -1.64 0.00 0.00 0.00 175.76 175.02 2k3t s MET -1 N -2.67 4.31 0.15 0.00 -1.94 -1.26 -0.92 119.30 116.97 2k3t s MET -1 Ca -0.04 2.20 -0.10 0.00 -1.71 0.00 0.00 55.69 56.04 2k3t s MET -1 Cb -0.00 -3.16 -0.06 0.00 2.01 0.00 0.00 34.83 33.62 2k3t s MET -1 CO -0.04 -0.38 0.48 0.20 -0.01 0.00 0.00 175.02 175.27 2k3t s GLY 2427N 0.51 2.34 0.10 -0.03 0.00 -0.06 -4.80 107.32 105.37 2k3t s GLY 2427Ca 0.60 -0.31 -0.27 0.00 0.00 0.00 0.00 44.72 44.74 2k3t s GLY 2427CO 0.39 -0.12 0.84 -0.35 0.00 0.00 0.00 173.10 173.86 2k3t s ASP 2428N -2.02 7.36 0.60 1.64 -1.08 -1.26 -4.70 116.67 117.21 2k3t s ASP 2428Ca 0.40 1.62 0.36 0.00 -0.52 0.00 0.00 52.55 54.41 2k3t s ASP 2428Cb -0.13 -2.52 1.90 0.00 -1.46 0.00 0.00 42.92 40.71 2k3t s ASP 2428CO 0.20 0.04 2.21 1.55 0.52 0.00 0.00 175.17 179.69 2k3t h PRO 2429N 5.26 0.00 0.00 4.34 0.13 -1.92 -1.25 132.00 138.56 2k3t h PRO 2429Ca -0.44 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k3t h PRO 2429Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k3t h PRO 2429CO 0.70 0.03 -0.10 0.78 -0.23 0.00 0.00 178.00 179.18 2k3t h GLY 2430N 0.58 0.00 1.55 1.56 0.00 -1.94 -2.92 103.07 101.90 2k3t h GLY 2430Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2k3t h GLY 2430CO 0.00 0.00 -1.18 1.41 0.00 0.00 0.00 176.54 176.78 2k3t h LEU 2431N 0.00 0.00 -9.94 3.11 -0.00 -1.59 -3.44 115.31 103.45 2k3t h LEU 2431Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.36 2k3t h LEU 2431Cb 1.02 0.00 0.07 0.00 -0.00 0.00 0.00 40.66 41.75 2k3t h LEU 2431CO 0.00 0.84 0.57 -0.69 -0.00 0.00 0.00 178.44 179.16 2k3t s VAL 2432N -2.76 2.84 0.11 1.22 1.01 -1.05 -4.34 120.40 117.42 2k3t s VAL 2432Ca -0.01 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.73 2k3t s VAL 2432Cb 0.09 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 2k3t s VAL 2432CO 0.81 0.09 0.06 -0.24 0.00 0.00 0.00 175.10 175.83 2k3t n SER 2433N 0.13 0.34 -3.77 3.32 2.88 -1.07 -3.63 113.62 111.83 2k3t n SER 2433Ca 0.04 -1.63 -0.13 0.00 -1.33 0.00 0.00 58.87 55.82 2k3t n SER 2433Cb 0.45 0.40 -0.10 0.00 -0.75 0.00 0.00 64.21 64.20 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 -2.36 -0.78 -0.01 -1.46 0.00 -1.26 -0.48 121.76 115.41 2k3t s ALA 2434Ca 0.09 0.76 -0.05 0.00 0.00 0.00 0.00 51.96 52.75 2k3t s ALA 2434Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.74 2k3t s ALA 2434CO 0.06 -0.18 0.11 0.71 0.00 0.00 0.00 175.76 176.47 2k3t s TYR 2435N -0.18 0.02 0.00 0.00 2.02 -0.55 -4.95 117.35 113.70 2k3t s TYR 2435Ca -0.03 -0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.63 2k3t s TYR 2435Cb -0.03 -0.04 0.00 0.00 -0.40 0.00 0.00 41.96 41.49 2k3t s TYR 2435CO 0.01 -0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.20 2k3t n GLY 2436N 1.96 3.73 0.25 0.71 0.00 -1.26 -0.58 105.19 110.01 2k3t n GLY 2436Ca -0.20 -1.78 0.08 0.00 0.00 0.00 0.00 46.02 44.12 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 1.87 0.00 4.61 0.00 -1.84 -2.85 119.26 121.05 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 0.07 0.00 0.78 0.00 0.00 0.00 179.25 180.10 2k3t h GLY 2438N 0.18 0.00 2.00 0.00 0.00 -1.23 -1.42 103.07 102.59 2k3t h GLY 2438Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.18 2k3t h GLY 2438CO 0.01 0.00 -0.69 1.41 0.00 0.00 0.00 176.54 177.27 2k3t h LEU 2439N 0.00 0.00 0.13 3.11 3.38 -1.74 -3.36 115.31 116.83 2k3t h LEU 2439Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2k3t h LEU 2439Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2k3t h LEU 2439CO 0.00 0.69 -1.79 -0.33 0.09 0.00 0.00 178.44 177.10 2k3t h GLU 2440N 0.00 0.28 0.00 1.13 4.39 -1.45 -3.18 114.58 115.75 2k3t h GLU 2440Ca -0.01 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.21 2k3t h GLU 2440Cb 1.53 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.36 2k3t h GLU 2440CO 0.09 1.16 0.00 0.41 -1.16 0.00 0.00 179.01 179.51 2k3t n GLY 2441N 1.84 -0.53 0.00 -3.84 0.00 -0.91 -1.87 105.19 99.88 2k3t n GLY 2441Ca -0.25 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.36 3.26 -0.02 0.00 -1.23 -4.17 105.19 101.67 2k3t n GLY 2442Ca 0.00 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.97 1.96 0.13 1.61 1.01 -1.26 -3.05 120.40 117.82 2k3t s VAL 2443Ca 0.00 -1.03 -0.33 0.00 0.00 0.00 0.00 61.98 60.62 2k3t s VAL 2443Cb 0.00 -1.65 -0.13 0.00 0.00 0.00 0.00 36.38 34.60 2k3t s VAL 2443CO 0.00 0.55 1.66 0.35 0.00 0.00 0.00 175.10 177.66 2k3t n THR 2444N 2.79 0.11 0.00 3.92 -2.24 -0.91 -2.15 114.28 115.80 2k3t n THR 2444Ca -0.17 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2k3t n THR 2444Cb 0.52 -1.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 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 3.69 2.16 3.75 3.38 0.00 -0.13 -4.82 105.19 113.22 2k3t n GLY 2445Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.16 5.61 0.35 1.61 0.01 -0.91 -5.00 114.94 113.44 2k3t s ASN 2446Ca 0.00 0.21 -0.27 0.00 -0.71 0.00 0.00 52.86 52.09 2k3t s ASN 2446Cb 0.00 -1.64 -0.09 0.00 0.41 0.00 0.00 41.25 39.93 2k3t s ASN 2446CO 0.00 0.35 1.16 -2.16 -1.51 0.00 0.00 177.10 174.94 2k3t s PRO 2447N -1.18 4.32 0.17 -0.60 0.04 -1.26 -4.30 135.00 132.19 2k3t s PRO 2447Ca 0.17 1.86 0.08 0.00 0.04 0.00 0.00 61.00 63.15 2k3t s PRO 2447Cb -0.12 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 2k3t s PRO 2447CO 0.06 -0.10 -0.17 0.00 0.04 0.00 0.00 177.00 176.83 2k3t s ALA 2448N -1.30 1.99 0.12 8.56 0.00 -0.16 -4.95 121.76 126.01 2k3t s ALA 2448Ca 0.51 -1.52 -0.15 0.00 0.00 0.00 0.00 51.96 50.81 2k3t s ALA 2448Cb -0.32 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.67 2k3t s ALA 2448CO 0.41 0.19 0.37 -1.83 0.00 0.00 0.00 175.76 174.90 2k3t s GLU 2449N -2.98 1.04 0.10 0.00 4.04 -1.26 -1.00 118.70 118.64 2k3t s GLU 2449Ca 0.17 -0.76 -0.25 0.00 0.04 0.00 0.00 54.97 54.17 2k3t s GLU 2449Cb -0.05 0.45 0.08 0.00 0.02 0.00 0.00 34.13 34.63 2k3t s GLU 2449CO 0.07 -0.40 0.68 -0.59 -1.84 0.00 0.00 175.26 173.18 2k3t s PHE 2450N -3.82 -0.50 -0.12 4.83 -0.12 -0.48 -1.01 117.98 116.76 2k3t s PHE 2450Ca 0.04 0.37 0.01 0.00 -0.05 0.00 0.00 56.93 57.30 2k3t s PHE 2450Cb 0.02 0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 42.94 2k3t s PHE 2450CO -0.12 -0.75 -0.17 0.08 -0.05 0.00 0.00 175.22 174.21 2k3t s VAL 2451N -3.36 2.73 -0.66 -2.49 1.01 0.25 -0.59 120.40 117.30 2k3t s VAL 2451Ca 0.01 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 60.94 2k3t s VAL 2451Cb -0.01 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.28 2k3t s VAL 2451CO -0.10 0.54 1.30 -0.69 0.00 0.00 0.00 175.10 176.15 2k3t s VAL 2452N 0.32 3.81 -0.37 2.92 1.01 0.64 -1.49 120.40 127.24 2k3t s VAL 2452Ca -0.13 0.60 -0.28 0.00 0.00 0.00 0.00 61.98 62.17 2k3t s VAL 2452Cb -0.16 -4.74 0.02 0.00 0.00 0.00 0.00 36.38 31.50 2k3t s VAL 2452CO 0.07 -1.54 1.03 0.21 0.00 0.00 0.00 175.10 174.86 2k3t s ASN 2453N 3.80 6.77 0.00 3.32 3.04 0.36 -2.34 114.94 129.89 2k3t s ASN 2453Ca 0.42 0.74 0.22 0.00 0.04 0.00 0.00 52.86 54.28 2k3t s ASN 2453Cb -0.08 -2.51 -0.11 0.00 -1.54 0.00 0.00 41.25 37.01 2k3t s ASN 2453CO 0.20 -0.94 1.00 0.35 -3.04 0.00 0.00 177.10 174.67 2k3t n THR 2454N 6.11 0.00 -0.08 -5.21 -2.24 -1.11 -2.58 114.28 109.16 2k3t n THR 2454Ca 0.10 -0.14 0.15 0.00 -2.27 0.00 0.00 64.05 61.89 2k3t n THR 2454Cb 0.48 1.13 0.55 0.00 -2.10 0.00 0.00 70.33 70.39 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 1.29 0.28 1.04 3.42 0.02 -1.86 -0.11 113.55 117.63 2k3t h SER 2455Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k3t h SER 2455Cb 0.64 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2k3t h SER 2455CO 0.00 0.16 -0.37 0.59 -1.14 0.00 0.00 176.83 176.07 2k3t n ASN 2456N -4.45 0.67 -0.10 3.07 3.02 -1.26 -4.51 115.26 111.69 2k3t n ASN 2456Ca 0.11 0.26 -0.21 0.00 -0.03 0.00 0.00 54.58 54.71 2k3t n ASN 2456Cb 0.47 -0.19 -0.07 0.00 -0.61 0.00 0.00 39.78 39.38 2k3t n ASN 2456CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k3t n ALA 2457N -1.76 1.69 0.00 5.41 0.00 -0.17 -4.86 120.51 120.83 2k3t n ALA 2457Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2k3t n ALA 2457Cb 0.42 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 1.84 0.13 4.01 0.00 0.00 -0.51 -3.88 105.19 106.77 2k3t n GLY 2458Ca -0.39 -1.77 -0.20 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.00 4.35 0.00 4.61 0.00 -0.10 -4.77 121.76 123.85 2k3t s ALA 2459Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.09 2k3t s ALA 2459Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2k3t s ALA 2459CO 0.00 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.28 2k3t n GLY 2460N -2.33 3.78 3.80 0.00 0.00 -1.26 -0.89 105.19 108.30 2k3t n GLY 2460Ca 0.13 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.21 3.16 0.00 4.61 0.00 -1.26 -4.84 121.76 121.21 2k3t s ALA 2461Ca 0.00 0.44 -0.00 0.00 0.00 0.00 0.00 51.96 52.40 2k3t s ALA 2461Cb 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2k3t s ALA 2461CO 0.00 0.17 0.09 -1.17 0.00 0.00 0.00 175.76 174.85 2k3t s LEU 2462N -2.52 3.92 0.07 0.00 2.96 -1.26 -1.47 118.68 120.39 2k3t s LEU 2462Ca 0.55 0.15 0.08 0.00 -0.22 0.00 0.00 54.13 54.68 2k3t s LEU 2462Cb -0.14 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.20 2k3t s LEU 2462CO 0.19 0.26 -0.21 -0.55 -1.32 0.00 0.00 176.35 174.73 2k3t s SER 2463N -1.81 2.51 -0.27 3.68 0.15 0.13 -4.99 113.70 113.10 2k3t s SER 2463Ca 0.24 -0.61 -0.25 0.00 0.70 0.00 0.00 55.95 56.03 2k3t s SER 2463Cb -0.12 -0.17 0.07 0.00 -1.71 0.00 0.00 66.02 64.09 2k3t s SER 2463CO 0.15 0.11 0.73 0.54 1.20 0.00 0.00 173.24 175.96 2k3t s VAL 2464N -0.99 0.00 0.15 4.45 0.11 -1.26 -1.06 120.40 121.79 2k3t s VAL 2464Ca 0.07 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.88 2k3t s VAL 2464Cb -0.09 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.82 2k3t s VAL 2464CO 0.03 0.00 0.68 0.28 -3.33 0.00 0.00 175.10 172.76 2k3t s THR 2465N 0.43 0.00 -0.07 5.04 -1.32 -0.92 -5.04 115.64 113.76 2k3t s THR 2465Ca -0.00 -0.16 -0.01 0.00 -1.21 0.00 0.00 61.69 60.30 2k3t s THR 2465Cb -0.05 -1.18 0.03 0.00 -1.51 0.00 0.00 72.50 69.79 2k3t s THR 2465CO 0.00 0.00 -0.02 -0.63 -2.21 0.00 0.00 174.62 171.76 2k3t s ILE 2466N -3.65 0.48 0.22 5.08 1.01 -1.26 -0.98 121.20 122.09 2k3t s ILE 2466Ca 0.04 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.73 2k3t s ILE 2466Cb -0.02 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 2k3t s ILE 2466CO -0.09 0.26 0.37 -0.62 0.00 0.00 0.00 174.94 174.87 2k3t s ASP 2467N 1.73 6.34 0.00 3.58 2.15 -0.47 -4.86 116.67 125.15 2k3t s ASP 2467Ca 0.02 0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.26 2k3t s ASP 2467Cb -0.13 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.55 2k3t s ASP 2467CO -0.05 -0.06 0.00 0.61 -0.17 0.00 0.00 175.17 175.51 2k3t n GLY 2468N -0.97 -0.98 0.07 2.66 0.00 -1.26 -0.43 105.19 104.28 2k3t n GLY 2468Ca -0.06 -0.90 0.10 0.00 0.00 0.00 0.00 46.02 45.15 2k3t n GLY 2468CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k3t n PRO 2469N 0.00 0.11 -3.92 1.61 -0.04 -1.26 -4.82 135.00 126.68 2k3t n PRO 2469Ca 0.00 0.35 -0.08 0.00 -0.04 0.00 0.00 63.50 63.73 2k3t n PRO 2469Cb 0.00 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 31.71 2k3t n PRO 2469CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2k3t s SER 2470N -3.71 -0.13 0.85 3.54 0.01 -1.26 -4.96 113.70 108.05 2k3t s SER 2470Ca 0.05 -0.81 -0.11 0.00 1.31 0.00 0.00 55.95 56.39 2k3t s SER 2470Cb 0.09 0.68 0.11 0.00 0.21 0.00 0.00 66.02 67.10 2k3t s SER 2470CO 0.33 -1.28 1.10 -0.54 0.41 0.00 0.00 173.24 173.26 2k3t s LYS 2471N -3.82 1.58 0.02 12.44 -0.14 -1.26 -4.96 119.74 123.59 2k3t s LYS 2471Ca 0.17 1.11 0.01 0.00 -1.36 0.00 0.00 55.97 55.90 2k3t s LYS 2471Cb -0.04 -1.82 -0.01 0.00 -1.68 0.00 0.00 37.83 34.28 2k3t s LYS 2471CO 0.09 -2.10 -0.04 0.14 -0.76 0.00 0.00 175.35 172.67 2k3t s VAL 2472N -2.85 0.29 -0.93 3.17 -7.23 -1.26 -4.68 120.40 106.91 2k3t s VAL 2472Ca 0.63 -0.57 -0.20 0.00 -1.81 0.00 0.00 61.98 60.03 2k3t s VAL 2472Cb -0.19 -0.33 0.11 0.00 0.56 0.00 0.00 36.38 36.54 2k3t s VAL 2472CO 0.57 -0.19 1.18 -0.54 -0.31 0.00 0.00 175.10 175.81 2k3t s LYS 2473N -0.80 3.56 0.08 4.82 -0.14 -1.24 -4.94 119.74 121.08 2k3t s LYS 2473Ca -0.06 -1.57 -0.29 0.00 -1.36 0.00 0.00 55.97 52.69 2k3t s LYS 2473Cb -0.06 -4.95 -0.05 0.00 -1.68 0.00 0.00 37.83 31.09 2k3t s LYS 2473CO -0.00 -1.86 0.93 -1.64 -0.76 0.00 0.00 175.35 172.01 2k3t s MET 2474N 3.24 4.64 -0.21 1.68 -1.94 -1.26 -3.49 119.30 121.95 2k3t s MET 2474Ca 0.35 1.37 -0.01 0.00 -1.71 0.00 0.00 55.69 55.69 2k3t s MET 2474Cb -0.05 -3.39 0.01 0.00 2.01 0.00 0.00 34.83 33.42 2k3t s MET 2474CO -0.08 0.18 -0.12 0.34 -0.01 0.00 0.00 175.02 175.34 2k3t s ASP 2475N 0.16 3.81 -0.12 3.03 2.15 0.20 -5.01 116.67 120.89 2k3t s ASP 2475Ca 0.46 -0.64 -0.06 0.00 0.43 0.00 0.00 52.55 52.75 2k3t s ASP 2475Cb -0.22 -1.61 -0.04 0.00 -0.30 0.00 0.00 42.92 40.75 2k3t s ASP 2475CO 0.28 -0.04 0.08 0.00 -0.17 0.00 0.00 175.17 175.32 2k3t s GLN 2477N -0.69 0.97 -0.10 0.00 -2.07 -0.45 -5.03 119.66 112.30 2k3t s GLN 2477Ca 0.12 -0.37 -0.10 0.00 -1.82 0.00 0.00 55.36 53.19 2k3t s GLN 2477Cb -0.12 0.44 -0.05 0.00 -1.09 0.00 0.00 33.01 32.19 2k3t s GLN 2477CO 0.02 -0.34 0.23 -2.00 -1.32 0.00 0.00 175.29 171.88 2k3t s GLU 2478N -2.62 3.73 0.25 9.60 2.12 -1.26 -0.56 118.70 129.95 2k3t s GLU 2478Ca -0.04 0.04 0.01 0.00 0.36 0.00 0.00 54.97 55.34 2k3t s GLU 2478Cb -0.00 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 2k3t s GLU 2478CO -0.03 0.66 0.13 0.00 -0.54 0.00 0.00 175.26 175.48 2k3t h PRO 2480N 2.41 0.00 0.00 0.00 0.11 -2.03 -2.23 132.00 130.26 2k3t h PRO 2480Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2k3t h PRO 2480Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2k3t h PRO 2480CO 0.55 0.00 -0.34 -1.91 -0.21 0.00 0.00 178.00 176.09 2k3t n GLU 2481N -4.07 0.25 0.00 1.05 2.13 -1.26 -4.92 120.64 113.81 2k3t n GLU 2481Ca -0.01 0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2k3t n GLU 2481Cb 0.20 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.20 2k3t n GLU 2481CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k3t n GLY 2482N 1.34 0.57 3.58 8.31 0.00 -0.84 -2.74 105.19 115.42 2k3t n GLY 2482Ca 0.05 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.96 3.18 0.02 1.61 2.02 -0.99 -1.21 117.35 118.02 2k3t s TYR 2483Ca 0.00 0.42 -0.16 0.00 -0.37 0.00 0.00 57.07 56.95 2k3t s TYR 2483Cb 0.00 -3.04 -0.06 0.00 -0.40 0.00 0.00 41.96 38.46 2k3t s TYR 2483CO 0.00 -0.55 0.46 0.50 -1.57 0.00 0.00 175.55 174.39 2k3t s ARG 2484N 2.62 4.02 -0.08 -0.62 3.52 0.27 -0.26 118.95 128.42 2k3t s ARG 2484Ca 0.24 0.51 0.03 0.00 -0.13 0.00 0.00 55.73 56.38 2k3t s ARG 2484Cb -0.15 -3.23 0.01 0.00 -1.56 0.00 0.00 34.95 30.02 2k3t s ARG 2484CO 0.13 0.66 -0.15 0.08 -0.81 0.00 0.00 175.30 175.21 2k3t s VAL 2485N -1.03 1.33 -0.04 7.11 1.01 0.25 -1.34 120.40 127.70 2k3t s VAL 2485Ca 0.25 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.70 2k3t s VAL 2485Cb -0.17 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 2k3t s VAL 2485CO 0.15 0.40 -0.21 -0.89 0.00 0.00 0.00 175.10 174.55 2k3t s THR 2486N 0.63 2.47 -0.01 3.92 2.01 -0.39 -1.39 115.64 122.88 2k3t s THR 2486Ca -0.15 -0.95 -0.14 0.00 0.31 0.00 0.00 61.69 60.77 2k3t s THR 2486Cb -0.16 -1.91 0.02 0.00 0.01 0.00 0.00 72.50 70.46 2k3t s THR 2486CO 0.04 0.58 0.29 -0.72 -0.69 0.00 0.00 174.62 174.12 2k3t s TYR 2487N -0.58 -0.15 -0.29 4.92 1.13 -0.17 -0.63 117.35 121.58 2k3t s TYR 2487Ca 0.08 0.20 -0.05 0.00 -1.41 0.00 0.00 57.07 55.89 2k3t s TYR 2487Cb -0.11 0.08 0.02 0.00 -1.10 0.00 0.00 41.96 40.85 2k3t s TYR 2487CO 0.00 -0.39 0.04 0.99 -2.51 0.00 0.00 175.55 173.69 2k3t s THR 2488N -1.41 3.55 0.75 -3.49 2.01 -1.23 -0.99 115.64 114.82 2k3t s THR 2488Ca -0.13 -0.92 -0.11 0.00 0.31 0.00 0.00 61.69 60.84 2k3t s THR 2488Cb -0.05 -2.87 0.04 0.00 0.01 0.00 0.00 72.50 69.63 2k3t s THR 2488CO 0.03 0.05 1.09 -2.16 -0.69 0.00 0.00 174.62 172.95 2k3t s PRO 2489N 1.41 2.49 0.00 4.92 0.04 -1.26 -3.71 135.00 138.89 2k3t s PRO 2489Ca 0.00 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.63 2k3t s PRO 2489Cb -0.18 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2k3t s PRO 2489CO 0.00 -1.32 0.00 0.00 0.04 0.00 0.00 177.00 175.72 2k3t n MET 2490N -3.22 0.00 -3.96 4.56 0.00 -1.26 -0.95 117.12 112.29 2k3t n MET 2490Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.67 2k3t n MET 2490Cb 0.56 -0.28 -0.12 0.00 0.00 0.00 0.00 33.22 33.39 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 0.00 0.10 0.45 3.17 0.00 -1.26 -1.27 121.76 122.95 2k3t s ALA 2491Ca 0.00 -0.47 -0.23 0.00 0.00 0.00 0.00 51.96 51.26 2k3t s ALA 2491Cb 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 23.12 23.16 2k3t s ALA 2491CO 0.00 -0.13 1.13 -1.25 0.00 0.00 0.00 175.76 175.51 2k3t s PRO 2492N -1.17 3.82 0.00 0.00 0.04 -1.26 -4.83 135.00 131.60 2k3t s PRO 2492Ca -0.13 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2k3t s PRO 2492Cb -0.08 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.08 2k3t s PRO 2492CO -0.01 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.97 2k3t n GLY 2493N 0.35 0.87 3.64 0.56 0.00 -0.46 -4.86 105.19 105.29 2k3t n GLY 2493Ca 0.07 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.73 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 6.34 -0.32 1.61 0.01 -1.26 -0.47 113.70 115.61 2k3t s SER 2494Ca 0.00 0.40 -0.14 0.00 1.31 0.00 0.00 55.95 57.52 2k3t s SER 2494Cb 0.00 -2.22 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 2k3t s SER 2494CO 0.00 -0.11 0.31 -0.31 0.41 0.00 0.00 173.24 173.54 2k3t s TYR 2495N 1.60 3.22 -0.51 2.43 1.51 -0.29 -4.36 117.35 120.95 2k3t s TYR 2495Ca 0.17 0.04 -0.20 0.00 -1.01 0.00 0.00 57.07 56.07 2k3t s TYR 2495Cb -0.15 -2.56 0.05 0.00 -0.11 0.00 0.00 41.96 39.19 2k3t s TYR 2495CO 0.08 -0.34 0.67 -1.17 -1.11 0.00 0.00 175.55 173.68 2k3t s LEU 2496N 1.92 4.84 -0.39 -1.29 2.96 0.43 -2.13 118.68 125.02 2k3t s LEU 2496Ca 0.10 -0.83 -0.19 0.00 -0.22 0.00 0.00 54.13 53.00 2k3t s LEU 2496Cb -0.16 -2.50 0.01 0.00 0.50 0.00 0.00 46.19 44.03 2k3t s LEU 2496CO 0.11 -0.93 0.56 -0.63 -1.32 0.00 0.00 176.35 174.13 2k3t s ILE 2497N 2.80 4.95 -0.23 6.68 1.01 0.29 -1.36 121.20 135.34 2k3t s ILE 2497Ca 0.17 0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.85 2k3t s ILE 2497Cb -0.18 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 2k3t s ILE 2497CO 0.13 -0.39 0.31 -0.44 0.00 0.00 0.00 174.94 174.55 2k3t s SER 2498N 1.86 6.28 -0.18 3.58 0.01 -0.16 -1.28 113.70 123.81 2k3t s SER 2498Ca 0.19 0.32 0.01 0.00 1.31 0.00 0.00 55.95 57.78 2k3t s SER 2498Cb -0.15 -2.18 0.04 0.00 0.21 0.00 0.00 66.02 63.93 2k3t s SER 2498CO 0.15 -0.05 -0.11 -0.63 0.41 0.00 0.00 173.24 173.01 2k3t s ILE 2499N 1.41 1.56 -0.00 1.44 1.01 -1.26 -2.17 121.20 123.18 2k3t s ILE 2499Ca 0.14 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.99 2k3t s ILE 2499Cb -0.15 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 2k3t s ILE 2499CO 0.07 0.25 -0.17 -0.54 0.00 0.00 0.00 174.94 174.55 2k3t s LYS 2500N 1.45 1.32 -0.05 2.79 1.02 -0.23 -1.24 119.74 124.80 2k3t s LYS 2500Ca 0.01 -0.63 -0.09 0.00 0.02 0.00 0.00 55.97 55.27 2k3t s LYS 2500Cb -0.15 -1.29 0.02 0.00 -0.52 0.00 0.00 37.83 35.89 2k3t s LYS 2500CO -0.09 0.35 0.23 -0.47 -0.92 0.00 0.00 175.35 174.45 2k3t s TYR 2501N -0.45 -0.17 -1.10 3.18 6.14 -0.98 -0.69 117.35 123.28 2k3t s TYR 2501Ca 0.06 0.38 0.00 0.00 0.64 0.00 0.00 57.07 58.15 2k3t s TYR 2501Cb -0.07 0.06 0.00 0.00 0.42 0.00 0.00 41.96 42.37 2k3t s TYR 2501CO -0.00 -0.22 0.00 0.41 0.64 0.00 0.00 175.55 176.38 2k3t n GLY 2502N 2.24 1.17 0.00 8.97 0.00 -0.54 -4.57 105.19 112.47 2k3t n GLY 2502Ca -0.17 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.60 0.86 1.79 -0.02 0.00 -1.26 -4.95 105.19 100.01 2k3t n GLY 2503Ca -0.10 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.97 1.54 -4.84 1.61 -0.04 -1.26 -4.81 135.00 126.24 2k3t n PRO 2504Ca 0.00 -0.73 -0.27 0.00 -0.04 0.00 0.00 63.50 62.46 2k3t n PRO 2504Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.80 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 -0.08 1.85 0.34 0.54 2.02 -1.26 -5.01 117.35 115.75 2k3t s TYR 2505Ca 0.30 -0.68 -0.29 0.00 -0.37 0.00 0.00 57.07 56.03 2k3t s TYR 2505Cb 0.17 -1.29 -0.11 0.00 -0.40 0.00 0.00 41.96 40.33 2k3t s TYR 2505CO -0.02 -0.29 1.51 0.72 -1.57 0.00 0.00 175.55 175.90 2k3t n HIS 2506N 3.57 2.88 -3.30 2.71 8.25 -1.26 -2.32 115.22 125.75 2k3t n HIS 2506Ca -0.21 0.38 -0.34 0.00 -0.26 0.00 0.00 57.72 57.30 2k3t n HIS 2506Cb 0.52 -2.55 -0.06 0.00 1.12 0.00 0.00 29.99 29.03 2k3t n HIS 2506CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2k3t s ILE 2507N -0.68 4.81 0.00 1.59 -5.25 -0.37 -4.80 121.20 116.49 2k3t s ILE 2507Ca 0.58 0.79 0.00 0.00 -0.99 0.00 0.00 60.65 61.03 2k3t s ILE 2507Cb -0.49 -3.69 0.00 0.00 2.95 0.00 0.00 42.46 41.23 2k3t s ILE 2507CO 0.58 0.05 0.00 0.61 -1.79 0.00 0.00 174.94 174.38 2k3t n GLY 2508N 0.24 2.39 1.24 6.27 0.00 -1.10 -0.72 105.19 113.50 2k3t n GLY 2508Ca -0.01 0.38 0.10 0.00 0.00 0.00 0.00 46.02 46.49 2k3t n GLY 2508CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3t n GLY 2509N 0.00 2.07 3.76 -0.02 0.00 -1.26 -5.02 105.19 104.72 2k3t n GLY 2509Ca 0.00 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.96 5.76 0.48 1.61 0.15 0.11 -4.39 113.70 116.46 2k3t s SER 2510Ca 0.43 2.70 -0.19 0.00 0.70 0.00 0.00 55.95 59.60 2k3t s SER 2510Cb 0.24 -2.63 -0.09 0.00 -1.71 0.00 0.00 66.02 61.82 2k3t s SER 2510CO 0.27 -1.23 0.97 -2.16 1.20 0.00 0.00 173.24 172.30 2k3t s PRO 2511N -2.63 4.05 -0.18 5.44 0.04 -1.26 -4.79 135.00 135.66 2k3t s PRO 2511Ca 0.65 1.05 -0.07 0.00 0.04 0.00 0.00 61.00 62.67 2k3t s PRO 2511Cb -0.39 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 2k3t s PRO 2511CO 0.48 -0.19 0.06 -0.06 0.04 0.00 0.00 177.00 177.33 2k3t s PHE 2512N -2.40 3.25 -2.01 0.56 0.08 -0.40 -4.90 117.98 112.15 2k3t s PHE 2512Ca 0.61 0.08 0.13 0.00 0.12 0.00 0.00 56.93 57.86 2k3t s PHE 2512Cb -0.10 -2.06 0.36 0.00 -0.57 0.00 0.00 43.02 40.65 2k3t s PHE 2512CO 0.23 0.17 1.30 0.36 -0.10 0.00 0.00 175.22 177.19 2k3t n LYS 2513N 3.45 1.91 0.00 0.44 2.85 -1.26 -0.54 118.16 125.01 2k3t n LYS 2513Ca -0.17 -1.41 0.00 0.00 -1.05 0.00 0.00 58.31 55.68 2k3t n LYS 2513Cb 0.52 -1.31 0.00 0.00 -0.65 0.00 0.00 35.03 33.59 2k3t n LYS 2513CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k3t n ALA 2514N 0.65 0.00 -2.63 0.58 0.00 -0.91 -3.30 120.51 114.91 2k3t n ALA 2514Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.16 2k3t n ALA 2514Cb 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.73 2k3t n ALA 2514CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k3t s LYS 2515N 0.00 4.09 0.00 0.00 1.02 -0.78 -1.14 119.74 122.93 2k3t s LYS 2515Ca 0.00 0.62 0.03 0.00 0.02 0.00 0.00 55.97 56.65 2k3t s LYS 2515Cb 0.00 -3.67 -0.03 0.00 -0.52 0.00 0.00 37.83 33.61 2k3t s LYS 2515CO 0.00 -0.49 -0.08 0.08 -0.92 0.00 0.00 175.35 173.95 2k3t s VAL 2516N 2.65 3.59 0.33 3.17 1.01 0.38 -3.48 120.40 128.05 2k3t s VAL 2516Ca 0.29 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.51 2k3t s VAL 2516Cb -0.15 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2k3t s VAL 2516CO 0.09 0.40 0.11 0.42 0.00 0.00 0.00 175.10 176.12 2k3t s THR 2517N -0.98 0.70 0.00 3.92 -4.23 -1.17 -1.36 115.64 112.52 2k3t s THR 2517Ca 0.17 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 2k3t s THR 2517Cb -0.11 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.16 2k3t s THR 2517CO 0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 2k3t n GLY 2518N -0.69 0.80 3.71 3.99 0.00 -1.26 -2.14 105.19 109.60 2k3t n GLY 2518Ca -0.02 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.33 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 -1.06 4.32 0.04 1.61 0.04 -1.26 -4.40 135.00 134.29 2k3t s PRO 2519Ca 0.00 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 2k3t s PRO 2519Cb 0.00 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 31.16 2k3t s PRO 2519CO 0.00 -0.44 1.59 0.50 0.04 0.00 0.00 177.00 178.68 2k3t s ARG 2520N 1.29 4.22 -0.20 4.56 3.52 -1.26 -4.78 118.95 126.29 2k3t s ARG 2520Ca 0.64 2.22 0.05 0.00 -0.13 0.00 0.00 55.73 58.51 2k3t s ARG 2520Cb -0.36 -3.63 0.43 0.00 -1.56 0.00 0.00 34.95 29.83 2k3t s ARG 2520CO 0.30 -0.70 1.37 1.28 -0.81 0.00 0.00 175.30 176.74 2k3t n LEU 2521N 5.69 4.44 0.00 -0.88 4.77 -0.40 -5.03 117.00 125.59 2k3t n LEU 2521Ca 0.15 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 53.83 2k3t n LEU 2521Cb 0.42 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2k3t n LEU 2521CO 0.62 0.64 0.00 0.55 -1.33 0.00 0.00 177.39 177.87