#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 -0.84 -0.03 4.61 0.00 -1.26 -4.85 121.76 119.38 2k3t s ALA -2 Ca 0.00 0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.16 2k3t s ALA -2 Cb 0.00 0.38 -0.24 0.00 0.00 0.00 0.00 23.12 23.26 2k3t s ALA -2 CO 0.00 -0.46 0.70 0.52 0.00 0.00 0.00 175.76 176.51 2k3t h MET -1 N 3.01 0.06 -7.61 0.00 0.00 -1.48 -3.48 114.93 105.42 2k3t h MET -1 Ca -0.32 -0.10 -0.46 0.00 0.00 0.00 0.00 59.70 58.83 2k3t h MET -1 Cb 1.21 0.04 0.12 0.00 0.00 0.00 0.00 31.60 32.97 2k3t h MET -1 CO 0.45 0.69 0.36 0.20 0.00 0.00 0.00 176.91 178.61 2k3t s GLY 2427N -5.12 1.71 -0.01 8.32 0.00 -0.59 -4.86 107.32 106.76 2k3t s GLY 2427Ca -0.07 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 43.62 2k3t s GLY 2427CO 0.82 -0.44 -0.09 0.99 0.00 0.00 0.00 173.10 174.38 2k3t s ASP 2428N -4.73 1.09 0.58 1.64 1.01 -1.26 -4.98 116.67 110.02 2k3t s ASP 2428Ca 0.68 -0.17 0.28 0.00 0.71 0.00 0.00 52.55 54.04 2k3t s ASP 2428Cb -0.07 -0.18 1.61 0.00 1.01 0.00 0.00 42.92 45.29 2k3t s ASP 2428CO 0.50 0.10 2.09 -0.65 0.21 0.00 0.00 175.17 177.42 2k3t h PRO 2429N 6.07 0.00 0.00 8.23 0.11 -1.90 -0.70 132.00 143.80 2k3t h PRO 2429Ca -0.31 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 2k3t h PRO 2429Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2k3t h PRO 2429CO 0.49 0.00 -0.33 0.78 -0.21 0.00 0.00 178.00 178.73 2k3t h GLY 2430N 0.00 0.00 0.84 -0.55 0.00 -1.93 -1.91 103.07 99.51 2k3t h GLY 2430Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.07 2k3t h GLY 2430CO -0.00 0.00 -1.82 1.41 0.00 0.00 0.00 176.54 176.13 2k3t h LEU 2431N 0.00 0.54 -9.75 3.11 -0.00 -1.65 -3.44 115.31 104.12 2k3t h LEU 2431Ca -0.00 -0.91 -0.53 0.00 -0.00 0.00 0.00 57.88 56.44 2k3t h LEU 2431Cb 1.21 -0.18 0.07 0.00 -0.00 0.00 0.00 40.66 41.77 2k3t h LEU 2431CO 0.04 1.79 0.89 -0.69 -0.00 0.00 0.00 178.44 180.47 2k3t s VAL 2432N -2.57 2.18 0.00 1.22 1.01 -0.38 -4.65 120.40 117.22 2k3t s VAL 2432Ca -0.18 0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2k3t s VAL 2432Cb 0.06 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.35 2k3t s VAL 2432CO 0.83 0.02 0.00 -0.24 0.00 0.00 0.00 175.10 175.71 2k3t n SER 2433N 2.66 1.09 -3.73 3.32 2.88 -0.87 -3.97 113.62 115.00 2k3t n SER 2433Ca 0.10 -1.02 -0.13 0.00 -1.33 0.00 0.00 58.87 56.48 2k3t n SER 2433Cb 0.37 0.01 -0.09 0.00 -0.75 0.00 0.00 64.21 63.75 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 -2.01 -0.96 -0.05 -1.46 0.00 -1.26 -0.61 121.76 115.40 2k3t s ALA 2434Ca 0.00 0.89 -0.08 0.00 0.00 0.00 0.00 51.96 52.77 2k3t s ALA 2434Cb 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.74 2k3t s ALA 2434CO 0.00 -0.22 0.20 0.71 0.00 0.00 0.00 175.76 176.45 2k3t s TYR 2435N -0.33 -0.15 0.00 0.00 2.02 -0.60 -4.95 117.35 113.34 2k3t s TYR 2435Ca -0.05 0.35 0.00 0.00 -0.37 0.00 0.00 57.07 57.00 2k3t s TYR 2435Cb -0.03 0.05 0.00 0.00 -0.40 0.00 0.00 41.96 41.57 2k3t s TYR 2435CO 0.02 -0.19 0.00 0.41 -1.57 0.00 0.00 175.55 174.23 2k3t n GLY 2436N 2.39 3.36 0.26 0.71 0.00 -1.26 -0.53 105.19 110.12 2k3t n GLY 2436Ca -0.16 -1.89 0.11 0.00 0.00 0.00 0.00 46.02 44.07 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 1.58 0.00 4.61 0.00 -1.81 -2.81 119.26 120.83 2k3t h ALA 2437Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 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 0.11 -0.02 0.78 0.00 0.00 0.00 179.25 180.12 2k3t h GLY 2438N 0.39 0.00 2.00 0.00 0.00 -1.28 -0.68 103.07 103.49 2k3t h GLY 2438Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2k3t h GLY 2438CO 0.01 0.00 -0.15 1.41 0.00 0.00 0.00 176.54 177.81 2k3t h LEU 2439N 0.00 0.00 0.00 3.11 3.38 -1.76 -3.25 115.31 116.79 2k3t h LEU 2439Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 2k3t h LEU 2439Cb 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2k3t h LEU 2439CO 0.00 0.15 -1.96 -0.62 0.09 0.00 0.00 178.44 176.11 2k3t n GLU 2440N -3.31 0.66 0.00 1.13 1.02 -0.29 -3.51 120.64 116.33 2k3t n GLU 2440Ca 0.00 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2k3t n GLU 2440Cb 0.39 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2k3t n GLU 2440CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k3t n GLY 2441N 1.52 0.72 0.00 0.62 0.00 -1.00 -1.10 105.19 105.95 2k3t n GLY 2441Ca -0.18 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 0.00 3.81 -0.02 0.00 -1.07 -4.62 105.19 103.29 2k3t n GLY 2442Ca 0.00 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 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 -3.74 4.69 0.72 1.61 1.01 -1.26 -1.85 120.40 121.57 2k3t s VAL 2443Ca 0.00 1.23 -0.16 0.00 0.00 0.00 0.00 61.98 63.05 2k3t s VAL 2443Cb 0.00 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.50 2k3t s VAL 2443CO 0.00 0.46 1.19 0.35 0.00 0.00 0.00 175.10 177.10 2k3t n THR 2444N 1.45 3.48 -0.79 3.92 -2.24 -0.42 -3.36 114.28 116.32 2k3t n THR 2444Ca -0.08 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2k3t n THR 2444Cb 0.51 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 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 0.84 0.53 3.44 3.38 0.00 -0.57 -4.96 105.19 107.85 2k3t n GLY 2445Ca 0.14 0.00 -0.31 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 -2.51 3.77 0.33 1.61 0.01 -1.21 -5.01 114.94 111.93 2k3t s ASN 2446Ca 0.00 -0.38 -0.28 0.00 -0.71 0.00 0.00 52.86 51.50 2k3t s ASN 2446Cb 0.00 -0.63 -0.09 0.00 0.41 0.00 0.00 41.25 40.93 2k3t s ASN 2446CO 0.00 0.28 1.12 -2.16 -1.51 0.00 0.00 177.10 174.84 2k3t s PRO 2447N -1.18 4.41 -0.02 -0.60 0.04 -1.26 -4.35 135.00 132.03 2k3t s PRO 2447Ca 0.13 1.80 0.04 0.00 0.04 0.00 0.00 61.00 63.01 2k3t s PRO 2447Cb -0.10 -2.95 -0.01 0.00 0.04 0.00 0.00 34.50 31.48 2k3t s PRO 2447CO 0.03 0.00 -0.14 0.00 0.04 0.00 0.00 177.00 176.94 2k3t s ALA 2448N -1.30 1.21 0.08 8.56 0.00 -0.16 -4.98 121.76 125.18 2k3t s ALA 2448Ca 0.50 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.94 2k3t s ALA 2448Cb -0.31 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 2k3t s ALA 2448CO 0.39 0.25 -0.13 -1.83 0.00 0.00 0.00 175.76 174.44 2k3t s GLU 2449N -0.09 0.83 0.20 0.00 1.03 -1.26 -1.46 118.70 117.95 2k3t s GLU 2449Ca 0.01 -1.03 -0.21 0.00 0.03 0.00 0.00 54.97 53.77 2k3t s GLU 2449Cb -0.08 -0.74 0.04 0.00 -0.80 0.00 0.00 34.13 32.55 2k3t s GLU 2449CO 0.00 0.15 0.60 -0.59 -1.33 0.00 0.00 175.26 174.09 2k3t s PHE 2450N -1.65 -0.32 -0.09 4.83 -0.71 -0.42 -0.91 117.98 118.70 2k3t s PHE 2450Ca 0.01 0.01 0.04 0.00 -1.04 0.00 0.00 56.93 55.95 2k3t s PHE 2450Cb -0.08 0.53 -0.01 0.00 -1.21 0.00 0.00 43.02 42.26 2k3t s PHE 2450CO 0.02 -0.95 -0.21 0.08 -1.34 0.00 0.00 175.22 172.81 2k3t s VAL 2451N -3.83 2.33 -0.56 -2.49 1.01 0.31 -0.44 120.40 116.74 2k3t s VAL 2451Ca 0.06 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.81 2k3t s VAL 2451Cb -0.02 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.49 2k3t s VAL 2451CO -0.05 0.56 1.23 -0.69 0.00 0.00 0.00 175.10 176.15 2k3t s VAL 2452N 0.09 4.00 -0.50 2.92 1.01 0.45 -1.56 120.40 126.81 2k3t s VAL 2452Ca -0.10 0.91 -0.26 0.00 0.00 0.00 0.00 61.98 62.54 2k3t s VAL 2452Cb -0.16 -4.64 0.03 0.00 0.00 0.00 0.00 36.38 31.61 2k3t s VAL 2452CO 0.06 -1.24 0.99 0.21 0.00 0.00 0.00 175.10 175.11 2k3t s ASN 2453N 3.17 6.46 0.00 3.32 3.04 0.21 -2.26 114.94 128.88 2k3t s ASN 2453Ca 0.46 0.03 0.23 0.00 0.04 0.00 0.00 52.86 53.62 2k3t s ASN 2453Cb -0.08 -2.47 0.08 0.00 -1.54 0.00 0.00 41.25 37.24 2k3t s ASN 2453CO 0.27 -1.18 1.13 0.35 -3.04 0.00 0.00 177.10 174.63 2k3t n THR 2454N 6.45 0.00 0.22 -5.21 -2.24 -1.25 -2.04 114.28 110.20 2k3t n THR 2454Ca 0.06 -0.14 0.15 0.00 -2.27 0.00 0.00 64.05 61.85 2k3t n THR 2454Cb 0.48 0.96 0.80 0.00 -2.10 0.00 0.00 70.33 70.48 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 1.30 0.00 1.51 3.42 0.02 -1.89 -0.02 113.55 117.89 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 0.62 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 2k3t h SER 2455CO 0.00 0.00 -0.01 0.78 -1.14 0.00 0.00 176.83 176.46 2k3t h ASN 2456N 0.00 0.00 0.00 3.07 2.35 -1.84 -3.40 115.58 115.77 2k3t h ASN 2456Ca 0.06 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 2k3t h ASN 2456Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 2k3t h ASN 2456CO -0.00 0.01 -1.26 0.00 -1.65 0.00 0.00 177.43 174.54 2k3t n ALA 2457N -2.10 2.26 0.00 -0.83 0.00 -0.17 -4.88 120.51 114.79 2k3t n ALA 2457Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2k3t n ALA 2457Cb 0.43 0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.29 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 3.03 0.20 3.76 0.00 0.00 -0.35 -3.63 105.19 108.20 2k3t n GLY 2458Ca -0.08 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 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 3.42 0.00 4.61 0.00 -1.26 -4.59 121.76 121.93 2k3t s ALA 2459Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.89 2k3t s ALA 2459Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2k3t s ALA 2459CO 0.00 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2k3t n GLY 2460N 1.31 2.26 3.80 0.00 0.00 -1.26 -1.13 105.19 110.17 2k3t n GLY 2460Ca -0.00 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 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 3.11 -0.02 4.61 0.00 -1.26 -4.88 121.76 121.31 2k3t s ALA 2461Ca 0.00 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.43 2k3t s ALA 2461Cb 0.00 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 2k3t s ALA 2461CO 0.00 0.14 -0.02 -1.17 0.00 0.00 0.00 175.76 174.71 2k3t s LEU 2462N -2.73 3.42 -0.25 0.00 2.96 -1.26 -1.11 118.68 119.72 2k3t s LEU 2462Ca 0.57 -0.01 0.19 0.00 -0.22 0.00 0.00 54.13 54.67 2k3t s LEU 2462Cb -0.13 -1.91 0.49 0.00 0.50 0.00 0.00 46.19 45.14 2k3t s LEU 2462CO 0.18 0.30 1.14 -1.20 -1.32 0.00 0.00 176.35 175.45 2k3t n SER 2463N 1.63 2.28 -4.76 3.68 7.64 0.16 -4.98 113.62 119.26 2k3t n SER 2463Ca -0.16 -2.46 -0.41 0.00 1.01 0.00 0.00 58.87 56.86 2k3t n SER 2463Cb 0.53 -0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 63.27 2k3t n SER 2463CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k3t s VAL 2464N -3.68 2.67 0.00 0.44 0.11 -1.25 -4.04 120.40 114.66 2k3t s VAL 2464Ca 0.33 0.63 0.01 0.00 -2.93 0.00 0.00 61.98 60.02 2k3t s VAL 2464Cb 0.35 -3.40 -0.01 0.00 -1.53 0.00 0.00 36.38 31.79 2k3t s VAL 2464CO -0.03 0.13 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.95 2k3t s THR 2465N -0.71 0.24 -0.25 5.04 2.01 -0.79 -4.96 115.64 116.22 2k3t s THR 2465Ca 0.53 -0.27 -0.08 0.00 0.31 0.00 0.00 61.69 62.19 2k3t s THR 2465Cb -0.41 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 2k3t s THR 2465CO 0.50 -0.02 0.08 -0.63 -0.69 0.00 0.00 174.62 173.86 2k3t s ILE 2466N -0.29 4.40 0.18 1.82 1.01 -1.26 -0.54 121.20 126.51 2k3t s ILE 2466Ca -0.01 -0.15 0.06 0.00 0.00 0.00 0.00 60.65 60.55 2k3t s ILE 2466Cb -0.03 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 2k3t s ILE 2466CO -0.00 0.33 0.08 -0.62 0.00 0.00 0.00 174.94 174.73 2k3t s ASP 2467N 1.63 5.19 0.00 3.58 2.15 -0.28 -4.85 116.67 124.09 2k3t s ASP 2467Ca 0.06 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 52.77 2k3t s ASP 2467Cb -0.15 -1.25 0.00 0.00 -0.30 0.00 0.00 42.92 41.22 2k3t s ASP 2467CO 0.04 0.06 0.00 0.61 -0.17 0.00 0.00 175.17 175.71 2k3t n GLY 2468N -0.39 -0.53 0.13 2.66 0.00 -1.26 -0.69 105.19 105.10 2k3t n GLY 2468Ca -0.09 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 45.02 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 0.20 -3.67 1.61 -0.04 -1.26 -4.83 135.00 127.00 2k3t n PRO 2469Ca 0.00 0.40 -0.10 0.00 -0.04 0.00 0.00 63.50 63.76 2k3t n PRO 2469Cb 0.00 -1.86 -0.05 0.00 -0.04 0.00 0.00 33.50 31.55 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 -4.26 -0.18 -0.75 3.54 0.01 -1.26 -5.07 113.70 105.73 2k3t s SER 2470Ca 0.05 -0.35 -0.26 0.00 1.31 0.00 0.00 55.95 56.70 2k3t s SER 2470Cb 0.10 0.45 0.01 0.00 0.21 0.00 0.00 66.02 66.79 2k3t s SER 2470CO 0.41 -0.81 1.51 -0.54 0.41 0.00 0.00 173.24 174.22 2k3t s LYS 2471N -3.69 3.04 0.60 12.44 1.02 -1.26 -4.95 119.74 126.93 2k3t s LYS 2471Ca 0.02 -0.11 -0.20 0.00 0.02 0.00 0.00 55.97 55.70 2k3t s LYS 2471Cb 0.02 -4.45 -0.03 0.00 -0.52 0.00 0.00 37.83 32.85 2k3t s LYS 2471CO -0.11 -2.41 1.32 0.14 -0.92 0.00 0.00 175.35 173.37 2k3t s VAL 2472N 6.89 2.09 -0.45 3.17 -7.23 -1.26 -4.86 120.40 118.75 2k3t s VAL 2472Ca 0.48 0.06 -0.29 0.00 -1.81 0.00 0.00 61.98 60.42 2k3t s VAL 2472Cb -0.08 -3.03 0.02 0.00 0.56 0.00 0.00 36.38 33.85 2k3t s VAL 2472CO 0.12 -0.01 1.30 -0.75 -0.31 0.00 0.00 175.10 175.46 2k3t s LYS 2473N -3.16 3.62 0.01 4.82 2.20 -0.82 -4.93 119.74 121.47 2k3t s LYS 2473Ca 0.77 0.76 0.07 0.00 -0.36 0.00 0.00 55.97 57.22 2k3t s LYS 2473Cb -0.38 -3.98 -0.03 0.00 -1.51 0.00 0.00 37.83 31.93 2k3t s LYS 2473CO 0.43 -1.51 -0.22 1.41 -0.36 0.00 0.00 175.35 175.09 2k3t s MET 2474N 4.77 2.08 0.06 4.03 1.75 -1.26 -1.04 119.30 129.68 2k3t s MET 2474Ca 0.56 -0.95 0.06 0.00 -1.25 0.00 0.00 55.69 54.10 2k3t s MET 2474Cb -0.11 -2.11 -0.03 0.00 2.84 0.00 0.00 34.83 35.42 2k3t s MET 2474CO 0.32 0.55 -0.16 0.34 -0.65 0.00 0.00 175.02 175.42 2k3t s ASP 2475N -0.98 1.95 -0.00 1.11 2.15 0.20 -5.01 116.67 116.09 2k3t s ASP 2475Ca 0.12 -0.53 0.01 0.00 0.43 0.00 0.00 52.55 52.57 2k3t s ASP 2475Cb -0.10 -0.12 -0.00 0.00 -0.30 0.00 0.00 42.92 42.40 2k3t s ASP 2475CO 0.01 0.04 -0.03 0.00 -0.17 0.00 0.00 175.17 175.03 2k3t s GLN 2477N -0.14 1.34 -0.05 0.00 -2.07 -0.22 -5.02 119.66 113.49 2k3t s GLN 2477Ca 0.00 -0.74 -0.13 0.00 -1.82 0.00 0.00 55.36 52.67 2k3t s GLN 2477Cb -0.01 0.54 -0.05 0.00 -1.09 0.00 0.00 33.01 32.39 2k3t s GLN 2477CO -0.00 -0.57 0.34 -2.00 -1.32 0.00 0.00 175.29 171.73 2k3t s GLU 2478N -3.83 3.86 0.22 9.60 2.12 -1.26 -0.43 118.70 128.97 2k3t s GLU 2478Ca 0.06 0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.64 2k3t s GLU 2478Cb -0.01 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 2k3t s GLU 2478CO -0.06 0.64 0.14 0.00 -0.54 0.00 0.00 175.26 175.44 2k3t h PRO 2480N 2.54 0.00 0.00 0.00 0.11 -2.03 -1.80 132.00 130.81 2k3t h PRO 2480Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 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 0.53 0.00 -0.17 -1.91 -0.21 0.00 0.00 178.00 176.24 2k3t n GLU 2481N -3.92 0.06 0.00 1.05 4.07 -1.26 -4.94 120.64 115.70 2k3t n GLU 2481Ca -0.01 0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 2k3t n GLU 2481Cb 0.20 -1.56 0.00 0.00 -0.06 0.00 0.00 31.44 30.03 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 1.46 0.62 3.60 8.31 0.00 -0.68 -3.88 105.19 114.62 2k3t n GLY 2482Ca 0.06 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.52 2.45 -0.02 1.61 2.02 -0.96 -1.40 117.35 119.53 2k3t s TYR 2483Ca 0.00 0.65 -0.25 0.00 -0.37 0.00 0.00 57.07 57.10 2k3t s TYR 2483Cb 0.00 -4.35 -0.04 0.00 -0.40 0.00 0.00 41.96 37.17 2k3t s TYR 2483CO 0.00 -1.86 0.75 0.50 -1.57 0.00 0.00 175.55 173.37 2k3t s ARG 2484N 4.95 4.47 -0.05 -0.62 3.52 0.42 -0.41 118.95 131.23 2k3t s ARG 2484Ca 0.58 1.00 0.05 0.00 -0.13 0.00 0.00 55.73 57.23 2k3t s ARG 2484Cb -0.12 -3.42 -0.02 0.00 -1.56 0.00 0.00 34.95 29.84 2k3t s ARG 2484CO 0.31 0.13 -0.21 0.08 -0.81 0.00 0.00 175.30 174.80 2k3t s VAL 2485N 0.51 2.41 -0.01 7.11 1.01 0.42 -1.06 120.40 130.78 2k3t s VAL 2485Ca 0.39 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.45 2k3t s VAL 2485Cb -0.19 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 2k3t s VAL 2485CO 0.21 0.58 -0.10 -0.89 0.00 0.00 0.00 175.10 174.89 2k3t s THR 2486N -0.40 0.83 -0.01 3.92 2.01 -0.57 -1.30 115.64 120.11 2k3t s THR 2486Ca 0.04 -0.43 -0.10 0.00 0.31 0.00 0.00 61.69 61.51 2k3t s THR 2486Cb -0.12 -0.70 0.01 0.00 0.01 0.00 0.00 72.50 71.70 2k3t s THR 2486CO 0.02 0.24 0.20 -0.72 -0.69 0.00 0.00 174.62 173.67 2k3t s TYR 2487N -0.14 -0.05 -0.27 4.92 1.13 -0.53 -0.63 117.35 121.77 2k3t s TYR 2487Ca 0.02 0.04 -0.03 0.00 -1.41 0.00 0.00 57.07 55.69 2k3t s TYR 2487Cb -0.05 0.01 0.02 0.00 -1.10 0.00 0.00 41.96 40.84 2k3t s TYR 2487CO -0.00 -0.31 -0.00 0.99 -2.51 0.00 0.00 175.55 173.72 2k3t s THR 2488N -1.27 3.28 0.10 -3.49 2.01 -0.21 -0.99 115.64 115.07 2k3t s THR 2488Ca -0.13 -0.97 -0.29 0.00 0.31 0.00 0.00 61.69 60.61 2k3t s THR 2488Cb -0.06 -2.71 -0.06 0.00 0.01 0.00 0.00 72.50 69.68 2k3t s THR 2488CO 0.02 0.11 0.92 -2.16 -0.69 0.00 0.00 174.62 172.82 2k3t s PRO 2489N 1.37 4.66 0.00 4.92 0.04 -1.26 -1.95 135.00 142.79 2k3t s PRO 2489Ca 0.00 1.37 0.26 0.00 0.04 0.00 0.00 61.00 62.67 2k3t s PRO 2489Cb -0.17 -3.37 0.75 0.00 0.04 0.00 0.00 34.50 31.75 2k3t s PRO 2489CO -0.02 0.25 1.56 0.00 0.04 0.00 0.00 177.00 178.84 2k3t n MET 2490N 2.70 1.10 -3.72 4.56 0.00 -1.26 -1.52 117.12 118.98 2k3t n MET 2490Ca 0.01 -0.68 -0.14 0.00 0.00 0.00 0.00 57.70 56.89 2k3t n MET 2490Cb 0.49 -1.49 -0.08 0.00 0.00 0.00 0.00 33.22 32.15 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 -2.37 -0.92 0.82 3.17 0.00 -1.26 -1.13 121.76 120.07 2k3t s ALA 2491Ca 0.27 0.41 -0.12 0.00 0.00 0.00 0.00 51.96 52.52 2k3t s ALA 2491Cb 0.20 0.13 0.08 0.00 0.00 0.00 0.00 23.12 23.52 2k3t s ALA 2491CO 0.48 -0.31 1.10 -1.25 0.00 0.00 0.00 175.76 175.77 2k3t s PRO 2492N -1.58 1.88 0.00 0.00 0.04 -1.26 -4.84 135.00 129.23 2k3t s PRO 2492Ca -0.11 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.58 2k3t s PRO 2492Cb -0.04 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2k3t s PRO 2492CO 0.03 -1.77 0.00 0.41 0.04 0.00 0.00 177.00 175.72 2k3t n GLY 2493N -1.92 0.67 3.37 0.56 0.00 -0.44 -4.87 105.19 102.56 2k3t n GLY 2493Ca 0.07 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 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 4.11 -0.12 1.61 0.01 -1.26 -0.48 113.70 113.56 2k3t s SER 2494Ca 0.00 -0.32 -0.01 0.00 1.31 0.00 0.00 55.95 56.93 2k3t s SER 2494Cb 0.00 -1.64 -0.02 0.00 0.21 0.00 0.00 66.02 64.57 2k3t s SER 2494CO 0.00 0.15 -0.07 -0.31 0.41 0.00 0.00 173.24 173.41 2k3t s TYR 2495N 0.47 2.94 -0.35 2.43 1.51 -0.01 -4.33 117.35 120.00 2k3t s TYR 2495Ca -0.08 -0.29 -0.16 0.00 -1.01 0.00 0.00 57.07 55.52 2k3t s TYR 2495Cb -0.16 -1.85 -0.01 0.00 -0.11 0.00 0.00 41.96 39.83 2k3t s TYR 2495CO 0.04 0.02 0.39 -0.51 -1.11 0.00 0.00 175.55 174.38 2k3t s LEU 2496N 0.02 4.47 -0.87 -1.29 1.02 0.13 -0.68 118.68 121.48 2k3t s LEU 2496Ca -0.01 -0.25 -0.19 0.00 0.02 0.00 0.00 54.13 53.69 2k3t s LEU 2496Cb -0.14 -2.37 0.12 0.00 0.02 0.00 0.00 46.19 43.82 2k3t s LEU 2496CO 0.03 -0.38 1.08 -0.63 0.02 0.00 0.00 176.35 176.47 2k3t s ILE 2497N 2.07 4.66 -1.31 -0.59 1.01 -0.11 -1.12 121.20 125.81 2k3t s ILE 2497Ca 0.13 -1.34 -0.17 0.00 0.00 0.00 0.00 60.65 59.27 2k3t s ILE 2497Cb -0.16 -4.75 0.08 0.00 0.01 0.00 0.00 42.46 37.63 2k3t s ILE 2497CO 0.12 -1.48 1.78 -1.20 0.00 0.00 0.00 174.94 174.16 2k3t n SER 2498N 6.74 4.83 -4.59 3.58 7.64 0.29 -1.60 113.62 130.51 2k3t n SER 2498Ca 0.18 -2.92 -0.42 0.00 1.01 0.00 0.00 58.87 56.72 2k3t n SER 2498Cb 0.48 -1.72 -0.02 0.00 -1.01 0.00 0.00 64.21 61.94 2k3t n SER 2498CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2k3t s ILE 2499N 3.82 3.82 0.08 0.44 1.01 -1.26 -1.88 121.20 127.24 2k3t s ILE 2499Ca 0.52 0.76 0.07 0.00 0.00 0.00 0.00 60.65 62.00 2k3t s ILE 2499Cb 0.05 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 2k3t s ILE 2499CO 0.05 -0.97 -0.10 -0.54 0.00 0.00 0.00 174.94 173.38 2k3t s LYS 2500N 5.31 2.18 -0.05 2.79 1.02 -1.26 -1.37 119.74 128.37 2k3t s LYS 2500Ca 0.57 -0.98 -0.12 0.00 0.02 0.00 0.00 55.97 55.46 2k3t s LYS 2500Cb -0.12 -2.32 0.02 0.00 -0.52 0.00 0.00 37.83 34.89 2k3t s LYS 2500CO 0.28 0.52 0.28 -0.47 -0.92 0.00 0.00 175.35 175.04 2k3t s TYR 2501N -1.15 -0.20 -0.71 3.18 5.04 -0.83 -0.67 117.35 122.01 2k3t s TYR 2501Ca 0.20 0.42 0.00 0.00 -2.44 0.00 0.00 57.07 55.25 2k3t s TYR 2501Cb -0.11 0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.28 2k3t s TYR 2501CO 0.12 -0.28 0.00 0.41 -1.34 0.00 0.00 175.55 174.46 2k3t n GLY 2502N 1.97 0.78 0.00 8.97 0.00 -0.26 -4.47 105.19 112.17 2k3t n GLY 2502Ca -0.18 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.72 0.92 1.43 -0.02 0.00 -1.26 -4.86 105.19 100.68 2k3t n GLY 2503Ca -0.07 -1.95 -0.05 0.00 0.00 0.00 0.00 46.02 43.95 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 0.00 1.27 -4.91 1.61 -0.04 -1.26 -4.82 135.00 126.85 2k3t n PRO 2504Ca 0.00 -0.59 -0.27 0.00 -0.04 0.00 0.00 63.50 62.60 2k3t n PRO 2504Cb 0.00 -1.23 -0.16 0.00 -0.04 0.00 0.00 33.50 32.07 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 -0.67 1.80 0.51 0.54 2.02 -1.26 -5.02 117.35 115.28 2k3t s TYR 2505Ca 0.11 -0.48 -0.22 0.00 -0.37 0.00 0.00 57.07 56.11 2k3t s TYR 2505Cb 0.09 -1.20 -0.06 0.00 -0.40 0.00 0.00 41.96 40.40 2k3t s TYR 2505CO 0.01 -0.14 1.30 -1.01 -1.57 0.00 0.00 175.55 174.14 2k3t s HIS 2506N -0.09 2.48 0.97 2.71 3.76 -1.26 -1.96 115.29 121.90 2k3t s HIS 2506Ca -0.01 1.42 -0.14 0.00 -0.15 0.00 0.00 55.06 56.17 2k3t s HIS 2506Cb -0.11 -3.68 0.18 0.00 1.11 0.00 0.00 32.58 30.08 2k3t s HIS 2506CO 0.02 -2.47 1.18 0.96 -0.85 0.00 0.00 174.74 173.58 2k3t s ILE 2507N -1.37 1.93 0.03 0.60 -4.36 -0.47 -4.85 121.20 112.71 2k3t s ILE 2507Ca 0.68 0.00 -0.31 0.00 -0.26 0.00 0.00 60.65 60.77 2k3t s ILE 2507Cb -0.37 -2.77 -0.10 0.00 1.25 0.00 0.00 42.46 40.47 2k3t s ILE 2507CO 0.44 0.00 1.95 0.61 0.24 0.00 0.00 174.94 178.18 2k3t n GLY 2508N -2.39 1.80 1.83 6.27 0.00 -0.72 -1.64 105.19 110.34 2k3t n GLY 2508Ca 0.10 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.93 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 4.49 1.40 3.84 -0.02 0.00 -1.26 -4.78 105.19 108.86 2k3t n GLY 2509Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.13 6.83 0.37 1.61 0.15 -0.65 -4.00 113.70 114.88 2k3t s SER 2510Ca 0.00 1.12 -0.26 0.00 0.70 0.00 0.00 55.95 57.51 2k3t s SER 2510Cb 0.00 -2.31 -0.09 0.00 -1.71 0.00 0.00 66.02 61.92 2k3t s SER 2510CO 0.00 0.04 1.12 -2.16 1.20 0.00 0.00 173.24 173.44 2k3t s PRO 2511N -2.16 4.23 -0.22 5.44 0.04 -1.26 -4.73 135.00 136.34 2k3t s PRO 2511Ca 0.41 1.74 -0.18 0.00 0.04 0.00 0.00 61.00 63.02 2k3t s PRO 2511Cb -0.14 -2.76 -0.03 0.00 0.04 0.00 0.00 34.50 31.60 2k3t s PRO 2511CO 0.20 -0.14 0.49 -0.06 0.04 0.00 0.00 177.00 177.52 2k3t s PHE 2512N -1.42 3.33 -0.59 0.56 0.40 -0.63 -4.84 117.98 114.79 2k3t s PHE 2512Ca 0.54 0.68 -0.27 0.00 -0.60 0.00 0.00 56.93 57.29 2k3t s PHE 2512Cb -0.29 -2.65 0.04 0.00 0.51 0.00 0.00 43.02 40.63 2k3t s PHE 2512CO 0.36 -0.14 1.11 -1.59 0.70 0.00 0.00 175.22 175.66 2k3t s LYS 2513N 1.79 3.40 -0.19 0.44 0.00 -1.26 -0.93 119.74 122.99 2k3t s LYS 2513Ca 0.22 -0.01 -0.17 0.00 0.00 0.00 0.00 55.97 56.00 2k3t s LYS 2513Cb -0.15 -4.05 -0.04 0.00 0.00 0.00 0.00 37.83 33.59 2k3t s LYS 2513CO 0.09 -1.68 0.46 0.00 0.00 0.00 0.00 175.35 174.23 2k3t s ALA 2514N 4.69 3.54 -0.23 0.59 0.00 0.14 -4.65 121.76 125.84 2k3t s ALA 2514Ca 0.37 -0.43 -0.09 0.00 0.00 0.00 0.00 51.96 51.81 2k3t s ALA 2514Cb -0.09 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 2k3t s ALA 2514CO 0.22 -0.33 0.11 0.15 0.00 0.00 0.00 175.76 175.91 2k3t s LYS 2515N 1.39 3.90 -0.02 0.00 1.02 -0.26 -0.83 119.74 124.93 2k3t s LYS 2515Ca 0.22 -0.36 0.07 0.00 0.02 0.00 0.00 55.97 55.92 2k3t s LYS 2515Cb -0.15 -3.41 -0.02 0.00 -0.52 0.00 0.00 37.83 33.73 2k3t s LYS 2515CO 0.09 -0.00 -0.23 0.08 -0.92 0.00 0.00 175.35 174.37 2k3t s VAL 2516N 1.17 1.82 0.20 3.17 1.01 0.36 -2.59 120.40 125.54 2k3t s VAL 2516Ca 0.06 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.09 2k3t s VAL 2516Cb -0.14 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 2k3t s VAL 2516CO 0.04 0.51 -0.01 0.42 0.00 0.00 0.00 175.10 176.07 2k3t s THR 2517N -0.45 0.90 0.00 3.92 -4.23 -0.77 -1.33 115.64 113.69 2k3t s THR 2517Ca 0.06 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2k3t s THR 2517Cb -0.10 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.53 2k3t s THR 2517CO -0.00 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 2k3t n GLY 2518N -0.33 -1.62 3.82 3.99 0.00 -1.26 -1.30 105.19 108.48 2k3t n GLY 2518Ca -0.06 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.65 3.11 0.07 1.61 0.04 -1.26 -4.28 135.00 133.64 2k3t s PRO 2519Ca 0.00 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 2k3t s PRO 2519Cb 0.00 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 2k3t s PRO 2519CO 0.00 -0.97 1.04 0.50 0.04 0.00 0.00 177.00 177.61 2k3t s ARG 2520N -4.73 4.58 0.11 4.56 3.52 -1.26 -4.58 118.95 121.14 2k3t s ARG 2520Ca 0.60 1.55 -0.01 0.00 -0.13 0.00 0.00 55.73 57.74 2k3t s ARG 2520Cb -0.14 -3.38 -0.19 0.00 -1.56 0.00 0.00 34.95 29.67 2k3t s ARG 2520CO 0.49 0.00 1.23 -0.07 -0.81 0.00 0.00 175.30 176.14 2k3t h LEU 2521N 6.17 0.33 -1.20 -0.88 4.07 -1.51 -3.49 115.31 118.80 2k3t h LEU 2521Ca -0.42 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.21 2k3t h LEU 2521Cb 1.21 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.85 2k3t h LEU 2521CO 0.75 1.21 0.00 0.52 -1.08 0.00 0.00 178.44 179.84