#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rh8 s SER 4636N 0.00 -0.42 -0.19 0.00 0.01 -1.26 -5.15 113.70 106.70 1rh8 s SER 4636Ca 0.00 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.07 1rh8 s SER 4636Cb 0.00 0.80 0.04 0.00 0.21 0.00 0.00 66.02 67.07 1rh8 s SER 4636CO 0.00 -0.14 -0.07 -1.38 0.41 0.00 0.00 173.24 172.05 1rh8 s HIS 4637N 0.36 2.04 0.44 2.43 0.00 -1.26 -5.13 115.29 114.17 1rh8 s HIS 4637Ca -0.01 -1.34 -0.22 0.00 -3.00 0.00 0.00 55.06 50.49 1rh8 s HIS 4637Cb -0.03 -1.46 -0.09 0.00 -4.00 0.00 0.00 32.58 26.99 1rh8 s HIS 4637CO -0.01 -0.68 1.01 -1.25 -1.00 0.00 0.00 174.74 172.81 1rh8 s PRO 4638N 1.52 4.04 -0.19 -0.38 0.04 -1.26 -5.01 135.00 133.76 1rh8 s PRO 4638Ca -0.01 1.33 -0.27 0.00 0.04 0.00 0.00 61.00 62.09 1rh8 s PRO 4638Cb -0.16 -2.27 -0.00 0.00 0.04 0.00 0.00 34.50 32.11 1rh8 s PRO 4638CO -0.08 -0.22 0.94 0.42 0.04 0.00 0.00 177.00 178.10 1rh8 s ILE 4639N -1.93 4.78 0.36 0.56 -1.09 -1.26 -4.47 121.20 118.15 1rh8 s ILE 4639Ca 0.63 1.84 -0.05 0.00 -2.23 0.00 0.00 60.65 60.84 1rh8 s ILE 4639Cb -0.16 -4.23 0.02 0.00 -1.58 0.00 0.00 42.46 36.51 1rh8 s ILE 4639CO 0.20 -0.07 0.56 0.42 -1.23 0.00 0.00 174.94 174.82 1rh8 s THR 4640N 2.64 0.00 0.00 2.92 -4.23 -1.26 -4.86 115.64 110.85 1rh8 s THR 4640Ca 0.42 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1rh8 s THR 4640Cb -0.16 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1rh8 s THR 4640CO 0.10 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1rh8 n GLY 4641N -0.58 -1.04 3.37 3.99 0.00 0.20 -4.13 105.19 107.02 1rh8 n GLY 4641Ca -0.01 -1.63 -0.19 0.00 0.00 0.00 0.00 46.02 44.18 1rh8 n GLY 4641CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rh8 s GLU 4642N -2.22 1.41 -0.01 1.61 2.02 -0.16 -2.53 118.70 118.82 1rh8 s GLU 4642Ca 0.00 -1.65 0.04 0.00 0.02 0.00 0.00 54.97 53.38 1rh8 s GLU 4642Cb 0.00 -1.16 -0.03 0.00 0.10 0.00 0.00 34.13 33.03 1rh8 s GLU 4642CO 0.00 0.15 -0.10 -1.50 0.02 0.00 0.00 175.26 173.84 1rh8 s ILE 4643N -2.96 3.43 -0.17 -1.63 2.07 -0.32 -1.23 121.20 120.39 1rh8 s ILE 4643Ca 0.25 -0.80 -0.02 0.00 -1.41 0.00 0.00 60.65 58.66 1rh8 s ILE 4643Cb 0.00 -2.45 -0.02 0.00 0.13 0.00 0.00 42.46 40.12 1rh8 s ILE 4643CO 0.09 0.44 -0.07 -1.58 -1.91 0.00 0.00 174.94 171.90 1rh8 s GLN 4644N -1.25 3.48 0.11 3.50 0.74 0.29 0.11 119.66 126.63 1rh8 s GLN 4644Ca 0.15 -0.61 -0.08 0.00 0.05 0.00 0.00 55.36 54.88 1rh8 s GLN 4644Cb -0.11 -2.84 -0.01 0.00 1.10 0.00 0.00 33.01 31.15 1rh8 s GLN 4644CO 0.05 0.10 0.19 -0.51 -0.55 0.00 0.00 175.29 174.57 1rh8 s LEU 4645N 0.69 1.42 -0.25 3.68 1.43 -1.00 -0.59 118.68 124.06 1rh8 s LEU 4645Ca -0.04 -0.77 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 1rh8 s LEU 4645Cb -0.15 0.96 0.07 0.00 0.03 0.00 0.00 46.19 47.09 1rh8 s LEU 4645CO 0.02 -0.76 -0.04 -1.58 0.23 0.00 0.00 176.35 174.22 1rh8 s GLN 4646N -3.91 1.60 0.31 1.70 0.74 -0.48 -1.96 119.66 117.67 1rh8 s GLN 4646Ca 0.09 -1.12 -0.16 0.00 0.05 0.00 0.00 55.36 54.23 1rh8 s GLN 4646Cb 0.05 -2.64 -0.09 0.00 1.10 0.00 0.00 33.01 31.43 1rh8 s GLN 4646CO -0.07 -0.66 0.74 0.42 -0.55 0.00 0.00 175.29 175.17 1rh8 s ILE 4647N 1.33 4.65 -0.29 -2.34 -1.09 -1.18 -2.00 121.20 120.27 1rh8 s ILE 4647Ca -0.03 1.03 -0.14 0.00 -2.23 0.00 0.00 60.65 59.27 1rh8 s ILE 4647Cb -0.19 -3.66 0.14 0.00 -1.58 0.00 0.00 42.46 37.18 1rh8 s ILE 4647CO -0.08 -0.11 0.88 0.21 -1.23 0.00 0.00 174.94 174.61 1rh8 s ASN 4648N -2.15 -0.72 -0.12 3.58 2.47 0.55 -1.56 114.94 116.99 1rh8 s ASN 4648Ca 0.52 1.04 0.00 0.00 0.42 0.00 0.00 52.86 54.85 1rh8 s ASN 4648Cb -0.11 1.64 -0.02 0.00 -1.45 0.00 0.00 41.25 41.31 1rh8 s ASN 4648CO 0.18 -0.15 -0.13 -0.47 -3.72 0.00 0.00 177.10 172.81 1rh8 s TYR 4649N 2.15 2.81 0.02 0.43 6.14 -1.26 0.11 117.35 127.74 1rh8 s TYR 4649Ca -0.06 -0.56 -0.17 0.00 0.64 0.00 0.00 57.07 56.92 1rh8 s TYR 4649Cb -0.06 -1.82 0.03 0.00 0.42 0.00 0.00 41.96 40.53 1rh8 s TYR 4649CO -0.17 -0.15 0.38 0.34 0.64 0.00 0.00 175.55 176.58 1rh8 s ASP 4650N 0.20 -0.25 -1.46 4.32 2.15 0.10 -4.91 116.67 116.82 1rh8 s ASP 4650Ca -0.08 0.04 -0.12 0.00 0.43 0.00 0.00 52.55 52.82 1rh8 s ASP 4650Cb -0.15 0.38 0.09 0.00 -0.30 0.00 0.00 42.92 42.94 1rh8 s ASP 4650CO 0.05 -0.58 0.72 -0.11 -0.17 0.00 0.00 175.17 175.08 1rh8 n LEU 4651N 0.79 -2.01 -0.44 -1.34 -0.00 -1.26 0.80 117.00 113.54 1rh8 n LEU 4651Ca -0.19 -0.61 -0.06 0.00 -0.00 0.00 0.00 56.01 55.15 1rh8 n LEU 4651Cb 0.58 -2.34 -0.02 0.00 -0.00 0.00 0.00 43.42 41.64 1rh8 n LEU 4651CO 0.21 0.29 -0.05 0.61 -0.00 0.00 0.00 177.39 178.45 1rh8 n GLY 4652N -1.42 0.70 3.26 -3.96 0.00 -1.26 -4.81 105.19 97.70 1rh8 n GLY 4652Ca 0.01 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1rh8 n GLY 4652CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rh8 s ASN 4653N -2.36 3.35 -0.28 1.61 0.01 0.24 -1.09 114.94 116.43 1rh8 s ASN 4653Ca 0.00 -0.50 -0.22 0.00 -0.71 0.00 0.00 52.86 51.43 1rh8 s ASN 4653Cb 0.00 -1.47 -0.01 0.00 0.41 0.00 0.00 41.25 40.18 1rh8 s ASN 4653CO 0.00 0.16 0.72 -0.22 -1.51 0.00 0.00 177.10 176.25 1rh8 s LEU 4654N 0.38 4.09 -0.12 0.60 2.96 -0.98 0.00 118.68 125.61 1rh8 s LEU 4654Ca -0.16 0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 54.45 1rh8 s LEU 4654Cb -0.17 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.50 1rh8 s LEU 4654CO 0.07 -0.49 -0.01 -0.63 -1.32 0.00 0.00 176.35 173.97 1rh8 s ILE 4655N 2.73 4.15 -0.05 6.68 1.09 0.29 0.11 121.20 136.20 1rh8 s ILE 4655Ca 0.30 -0.29 0.01 0.00 -1.10 0.00 0.00 60.65 59.57 1rh8 s ILE 4655Cb -0.15 -2.78 0.02 0.00 -1.06 0.00 0.00 42.46 38.49 1rh8 s ILE 4655CO 0.10 0.55 -0.05 -0.63 -0.10 0.00 0.00 174.94 174.81 1rh8 s ILE 4656N -0.28 0.59 -0.22 2.92 1.09 0.25 -0.33 121.20 125.22 1rh8 s ILE 4656Ca 0.06 -0.14 -0.03 0.00 -1.10 0.00 0.00 60.65 59.44 1rh8 s ILE 4656Cb -0.12 -0.61 0.00 0.00 -1.06 0.00 0.00 42.46 40.67 1rh8 s ILE 4656CO 0.02 0.24 -0.06 -1.00 -0.10 0.00 0.00 174.94 174.04 1rh8 s HIS 4657N 0.98 2.96 -0.39 3.97 3.76 -0.85 0.67 115.29 126.38 1rh8 s HIS 4657Ca -0.10 -1.15 -0.22 0.00 -0.15 0.00 0.00 55.06 53.44 1rh8 s HIS 4657Cb -0.14 -2.08 0.01 0.00 1.11 0.00 0.00 32.58 31.48 1rh8 s HIS 4657CO -0.00 -0.62 0.73 0.42 -0.85 0.00 0.00 174.74 174.42 1rh8 s ILE 4658N 1.43 4.76 0.00 0.60 1.09 -0.73 -1.38 121.20 126.97 1rh8 s ILE 4658Ca 0.05 0.59 0.00 0.00 -1.10 0.00 0.00 60.65 60.19 1rh8 s ILE 4658Cb -0.15 -4.21 0.00 0.00 -1.06 0.00 0.00 42.46 37.05 1rh8 s ILE 4658CO -0.05 -0.50 0.00 0.18 -0.10 0.00 0.00 174.94 174.47 1rh8 n LEU 4659N 6.39 0.89 -3.94 2.97 4.77 0.24 -0.91 117.00 127.42 1rh8 n LEU 4659Ca 0.01 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.90 1rh8 n LEU 4659Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1rh8 n LEU 4659CO 0.54 0.00 0.31 0.00 -1.33 0.00 0.00 177.39 176.91 1rh8 s GLN 4660N 0.00 1.73 0.06 3.23 0.00 -1.13 0.21 119.66 123.75 1rh8 s GLN 4660Ca 0.00 -1.22 0.06 0.00 -0.00 0.00 0.00 55.36 54.20 1rh8 s GLN 4660Cb 0.00 0.53 -0.03 0.00 0.00 0.00 0.00 33.01 33.52 1rh8 s GLN 4660CO 0.00 -0.76 -0.16 0.00 0.00 0.00 0.00 175.29 174.37 1rh8 s ALA 4661N -3.73 1.37 0.26 2.60 0.00 -0.47 0.10 121.76 121.89 1rh8 s ALA 4661Ca 0.18 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.23 1rh8 s ALA 4661Cb -0.03 -0.20 -0.06 0.00 0.00 0.00 0.00 23.12 22.84 1rh8 s ALA 4661CO 0.09 0.26 -0.02 -0.98 0.00 0.00 0.00 175.76 175.11 1rh8 s ARG 4662N -1.39 1.46 -1.57 0.00 1.70 -0.36 -2.97 118.95 115.81 1rh8 s ARG 4662Ca 0.02 -1.74 0.00 0.00 -0.47 0.00 0.00 55.73 53.54 1rh8 s ARG 4662Cb -0.09 -0.87 0.00 0.00 -0.57 0.00 0.00 34.95 33.43 1rh8 s ARG 4662CO 0.02 -0.05 0.00 0.09 -1.08 0.00 0.00 175.30 174.28 1rh8 n ASN 4663N -0.51 -5.06 -3.24 -2.89 3.02 -1.19 -0.99 115.26 104.39 1rh8 n ASN 4663Ca -0.05 0.13 -0.23 0.00 -0.03 0.00 0.00 54.58 54.40 1rh8 n ASN 4663Cb 0.64 -4.29 0.20 0.00 -0.61 0.00 0.00 39.78 35.72 1rh8 n ASN 4663CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1rh8 n LEU 4664N -2.80 0.00 -4.66 3.41 4.77 -0.88 -0.63 117.00 116.21 1rh8 n LEU 4664Ca -0.20 -0.79 -0.43 0.00 -0.03 0.00 0.00 56.01 54.56 1rh8 n LEU 4664Cb 0.64 -0.75 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1rh8 n LEU 4664CO 0.25 -2.11 0.91 0.54 -1.33 0.00 0.00 177.39 175.65 1rh8 s VAL 4665N -2.24 4.67 0.41 4.08 0.11 -1.26 -4.70 120.40 121.48 1rh8 s VAL 4665Ca 0.52 2.01 -0.25 0.00 -2.93 0.00 0.00 61.98 61.33 1rh8 s VAL 4665Cb -0.07 -4.30 -0.08 0.00 -1.53 0.00 0.00 36.38 30.40 1rh8 s VAL 4665CO 0.41 -0.16 1.22 -2.16 -3.33 0.00 0.00 175.10 171.08 1rh8 s PRO 4666N 3.09 3.95 -0.19 1.54 0.04 -1.26 -4.77 135.00 137.40 1rh8 s PRO 4666Ca 0.45 1.95 -0.02 0.00 0.04 0.00 0.00 61.00 63.42 1rh8 s PRO 4666Cb -0.16 -2.66 0.06 0.00 0.04 0.00 0.00 34.50 31.79 1rh8 s PRO 4666CO 0.07 -0.44 0.02 1.03 0.04 0.00 0.00 177.00 177.72 1rh8 s ARG 4667N -2.34 0.84 0.44 4.56 0.52 -1.26 -4.99 118.95 116.72 1rh8 s ARG 4667Ca 0.58 -0.48 -0.08 0.00 -0.52 0.00 0.00 55.73 55.24 1rh8 s ARG 4667Cb -0.33 -2.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.98 1rh8 s ARG 4667CO 0.42 -0.60 0.78 0.34 0.02 0.00 0.00 175.30 176.25 1rh8 s ASP 4668N 1.78 6.38 -1.77 0.23 2.15 -1.26 -4.05 116.67 120.15 1rh8 s ASP 4668Ca -0.01 1.03 -0.00 0.00 0.43 0.00 0.00 52.55 53.99 1rh8 s ASP 4668Cb -0.17 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1rh8 s ASP 4668CO -0.08 -0.49 0.06 0.59 -0.17 0.00 0.00 175.17 175.09 1rh8 n ASN 4669N -1.79 -5.96 -3.58 -0.34 3.02 -1.26 -4.96 115.26 100.39 1rh8 n ASN 4669Ca 0.01 -0.05 -0.17 0.00 -0.03 0.00 0.00 54.58 54.35 1rh8 n ASN 4669Cb 0.54 -4.94 -0.08 0.00 -0.61 0.00 0.00 39.78 34.69 1rh8 n ASN 4669CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1rh8 s ASN 4670N -2.12 1.19 0.00 6.41 -0.87 -1.26 -5.17 114.94 113.12 1rh8 s ASN 4670Ca 0.03 -1.63 0.00 0.00 -1.57 0.00 0.00 52.86 49.69 1rh8 s ASN 4670Cb -0.01 0.52 0.00 0.00 -0.02 0.00 0.00 41.25 41.73 1rh8 s ASN 4670CO 0.04 -1.02 0.00 0.61 -2.57 0.00 0.00 177.10 174.16 1rh8 n GLY 4671N -0.52 -1.98 4.61 0.66 0.00 -1.26 -4.99 105.19 101.71 1rh8 n GLY 4671Ca 0.05 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1rh8 n GLY 4671CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rh8 n TYR 4672N 0.09 0.00 -2.46 1.61 4.02 -1.26 -4.91 117.16 114.25 1rh8 n TYR 4672Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 1rh8 n TYR 4672Cb 0.00 -0.25 -0.04 0.00 -0.02 0.00 0.00 39.34 39.03 1rh8 n TYR 4672CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1rh8 s SER 4673N -0.82 7.20 -0.28 7.72 0.15 -1.26 -5.03 113.70 121.37 1rh8 s SER 4673Ca 0.00 2.13 -0.02 0.00 0.70 0.00 0.00 55.95 58.76 1rh8 s SER 4673Cb 0.00 -2.60 0.04 0.00 -1.71 0.00 0.00 66.02 61.75 1rh8 s SER 4673CO 0.00 -0.29 -0.02 -1.81 1.20 0.00 0.00 173.24 172.32 1rh8 s ASP 4674N 0.05 4.71 0.37 5.45 1.01 -1.26 -4.97 116.67 122.04 1rh8 s ASP 4674Ca 0.51 -1.13 -0.27 0.00 0.71 0.00 0.00 52.55 52.37 1rh8 s ASP 4674Cb -0.30 -1.70 -0.09 0.00 1.01 0.00 0.00 42.92 41.83 1rh8 s ASP 4674CO 0.35 -0.22 1.27 -2.84 0.21 0.00 0.00 175.17 173.94 1rh8 s PRO 4675N 1.28 4.17 0.37 8.23 0.02 -1.26 -4.58 135.00 143.23 1rh8 s PRO 4675Ca -0.03 2.10 0.06 0.00 0.02 0.00 0.00 61.00 63.15 1rh8 s PRO 4675Cb -0.19 -2.89 -0.07 0.00 0.02 0.00 0.00 34.50 31.38 1rh8 s PRO 4675CO -0.02 -0.31 0.01 -0.59 -0.33 0.00 0.00 177.00 175.76 1rh8 s PHE 4676N -1.24 2.32 0.10 6.54 -0.71 0.12 -4.93 117.98 120.18 1rh8 s PHE 4676Ca 0.53 -0.73 0.10 0.00 -1.04 0.00 0.00 56.93 55.79 1rh8 s PHE 4676Cb -0.37 -1.56 -0.04 0.00 -1.21 0.00 0.00 43.02 39.84 1rh8 s PHE 4676CO 0.48 0.34 -0.25 0.08 -1.34 0.00 0.00 175.22 174.53 1rh8 s VAL 4677N -2.88 2.07 -0.23 -2.49 1.01 -1.26 0.10 120.40 116.72 1rh8 s VAL 4677Ca 0.35 -1.60 0.02 0.00 0.00 0.00 0.00 61.98 60.75 1rh8 s VAL 4677Cb 0.08 -1.83 0.05 0.00 0.00 0.00 0.00 36.38 34.69 1rh8 s VAL 4677CO 0.17 0.12 -0.14 -0.54 0.00 0.00 0.00 175.10 174.71 1rh8 s LYS 4678N -1.80 2.44 -0.15 2.72 1.02 0.31 -0.25 119.74 124.03 1rh8 s LYS 4678Ca 0.11 -1.14 0.02 0.00 0.02 0.00 0.00 55.97 54.98 1rh8 s LYS 4678Cb -0.10 -2.74 0.01 0.00 -0.52 0.00 0.00 37.83 34.48 1rh8 s LYS 4678CO 0.05 -0.45 -0.20 0.08 -0.92 0.00 0.00 175.35 173.90 1rh8 s VAL 4679N 1.19 1.98 0.03 3.17 1.01 -0.10 -1.52 120.40 126.16 1rh8 s VAL 4679Ca -0.04 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 1rh8 s VAL 4679Cb -0.17 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 1rh8 s VAL 4679CO -0.08 0.53 0.13 -0.72 0.00 0.00 0.00 175.10 174.96 1rh8 s TYR 4680N 1.01 0.12 0.34 5.22 -0.85 -1.19 -2.36 117.35 119.64 1rh8 s TYR 4680Ca -0.03 -0.35 -0.26 0.00 -0.52 0.00 0.00 57.07 55.92 1rh8 s TYR 4680Cb -0.15 -0.09 -0.10 0.00 0.38 0.00 0.00 41.96 42.01 1rh8 s TYR 4680CO -0.06 -0.36 0.96 -0.51 -1.52 0.00 0.00 175.55 174.07 1rh8 s LEU 4681N -1.91 4.30 0.11 -3.49 2.01 -1.26 -2.63 118.68 115.81 1rh8 s LEU 4681Ca -0.08 1.87 -0.29 0.00 0.01 0.00 0.00 54.13 55.63 1rh8 s LEU 4681Cb -0.03 -4.06 -0.11 0.00 0.01 0.00 0.00 46.19 42.01 1rh8 s LEU 4681CO -0.03 -0.14 1.62 -0.07 1.01 0.00 0.00 176.35 178.74 1rh8 h LEU 4682N 3.03 -0.93 0.00 1.79 3.38 -1.58 -3.42 115.31 117.58 1rh8 h LEU 4682Ca -0.47 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1rh8 h LEU 4682Cb 1.19 0.34 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1rh8 h LEU 4682CO 0.64 -0.44 0.00 -0.81 0.09 0.00 0.00 178.44 177.92 1rh8 n PRO 4683N -5.43 1.48 0.00 1.13 -0.05 -1.26 -4.82 135.00 126.04 1rh8 n PRO 4683Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.37 1rh8 n PRO 4683Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.79 1rh8 n PRO 4683CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1rh8 n GLY 4684N 5.00 -0.29 0.08 0.55 0.00 -1.26 -3.91 105.19 105.36 1rh8 n GLY 4684Ca 0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 1rh8 n GLY 4684CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1rh8 h ARG 4685N 0.00 0.01 -0.01 1.61 2.43 -1.94 -3.47 114.38 113.01 1rh8 h ARG 4685Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1rh8 h ARG 4685Cb 0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1rh8 h ARG 4685CO 0.00 0.01 0.00 0.41 -1.51 0.00 0.00 179.97 178.88 1rh8 n GLY 4686N -1.15 1.74 3.80 2.80 0.00 -1.25 -5.09 105.19 106.04 1rh8 n GLY 4686Ca -0.04 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 1rh8 n GLY 4686CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rh8 s GLN 4687N -1.18 4.40 -0.27 1.61 0.00 -1.26 -5.01 119.66 117.95 1rh8 s GLN 4687Ca 0.00 1.05 -0.11 0.00 -0.00 0.00 0.00 55.36 56.29 1rh8 s GLN 4687Cb 0.00 -2.94 -0.05 0.00 0.00 0.00 0.00 33.01 30.02 1rh8 s GLN 4687CO 0.00 0.40 0.19 0.54 0.00 0.00 0.00 175.29 176.42 1rh8 s VAL 4688N -1.47 5.31 -0.31 3.63 0.11 -1.26 -4.49 120.40 121.92 1rh8 s VAL 4688Ca 0.43 0.19 -0.10 0.00 -2.93 0.00 0.00 61.98 59.58 1rh8 s VAL 4688Cb -0.18 -3.53 -0.01 0.00 -1.53 0.00 0.00 36.38 31.12 1rh8 s VAL 4688CO 0.23 0.27 0.16 -0.32 -3.33 0.00 0.00 175.10 172.11 1rh8 s MET 4689N 1.61 3.38 0.54 1.54 1.75 -0.99 -4.93 119.30 122.21 1rh8 s MET 4689Ca 0.08 -0.69 -0.10 0.00 -1.25 0.00 0.00 55.69 53.73 1rh8 s MET 4689Cb -0.15 -3.59 -0.05 0.00 2.84 0.00 0.00 34.83 33.88 1rh8 s MET 4689CO 0.09 -0.41 0.92 0.08 -0.65 0.00 0.00 175.02 175.06 1rh8 s VAL 4690N 1.63 4.76 -0.11 10.11 1.01 -1.26 -0.92 120.40 135.62 1rh8 s VAL 4690Ca 0.05 0.67 -0.05 0.00 0.00 0.00 0.00 61.98 62.65 1rh8 s VAL 4690Cb -0.17 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1rh8 s VAL 4690CO 0.07 -0.94 0.08 -0.69 0.00 0.00 0.00 175.10 173.61 1rh8 s VAL 4691N -2.90 4.96 0.73 2.92 1.01 0.65 -4.94 120.40 122.83 1rh8 s VAL 4691Ca 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.44 1rh8 s VAL 4691Cb -0.11 -3.14 0.08 0.00 0.00 0.00 0.00 36.38 33.21 1rh8 s VAL 4691CO 0.46 0.60 1.04 -1.10 0.00 0.00 0.00 175.10 176.10 1rh8 s GLN 4692N -0.83 1.99 0.27 2.72 -0.21 -1.26 -4.40 119.66 117.94 1rh8 s GLN 4692Ca 0.13 -0.35 -0.01 0.00 0.02 0.00 0.00 55.36 55.14 1rh8 s GLN 4692Cb -0.12 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.70 1rh8 s GLN 4692CO 0.03 -1.38 0.48 -0.80 -2.12 0.00 0.00 175.29 171.50 1rh8 s ASN 4693N -4.58 6.37 0.54 5.90 -0.87 -1.26 -4.77 114.94 116.28 1rh8 s ASN 4693Ca 0.62 0.49 0.03 0.00 -1.57 0.00 0.00 52.86 52.42 1rh8 s ASN 4693Cb -0.10 -2.05 0.09 0.00 -0.02 0.00 0.00 41.25 39.18 1rh8 s ASN 4693CO 0.45 -0.16 0.65 0.00 -2.57 0.00 0.00 177.10 175.47 1rh8 n ALA 4694N -1.09 0.45 -1.43 0.60 0.00 -1.24 -4.97 120.51 112.83 1rh8 n ALA 4694Ca -0.04 -1.42 -0.53 0.00 0.00 0.00 0.00 53.44 51.45 1rh8 n ALA 4694Cb 0.55 0.30 -0.08 0.00 0.00 0.00 0.00 19.45 20.22 1rh8 n ALA 4694CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1rh8 n SER 4695N -2.76 1.91 0.27 0.00 2.88 -1.26 -4.79 113.62 109.86 1rh8 n SER 4695Ca 0.12 0.52 0.16 0.00 -1.33 0.00 0.00 58.87 58.33 1rh8 n SER 4695Cb 0.42 -1.19 0.72 0.00 -0.75 0.00 0.00 64.21 63.41 1rh8 n SER 4695CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rh8 h ALA 4696N 11.35 1.05 -0.50 -1.46 0.00 -1.98 -2.82 119.26 124.90 1rh8 h ALA 4696Ca -0.26 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.66 1rh8 h ALA 4696Cb 1.34 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1rh8 h ALA 4696CO 1.03 0.08 0.34 1.05 0.00 0.00 0.00 179.25 181.74 1rh8 h GLU 4697N 0.00 0.41 0.01 0.00 4.11 -1.99 0.79 114.58 117.91 1rh8 h GLU 4697Ca -0.00 -0.02 -0.30 0.00 0.07 0.00 0.00 59.36 59.10 1rh8 h GLU 4697Cb 0.46 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1rh8 h GLU 4697CO 0.01 0.27 -1.79 2.48 0.07 0.00 0.00 179.01 180.06 1rh8 n TYR 4698N -4.47 0.92 -0.01 2.06 0.18 -1.08 -4.08 117.16 110.67 1rh8 n TYR 4698Ca 0.07 0.32 -0.13 0.00 1.88 0.00 0.00 57.90 60.04 1rh8 n TYR 4698Cb 0.26 -1.17 -0.10 0.00 -0.38 0.00 0.00 39.34 37.95 1rh8 n TYR 4698CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 1rh8 h LYS 4699N 0.00 -0.03 -1.39 -3.48 1.79 -1.27 -2.70 116.57 109.50 1rh8 h LYS 4699Ca -0.32 0.00 0.40 0.00 -2.18 0.00 0.00 60.65 58.56 1rh8 h LYS 4699Cb 2.04 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 32.63 1rh8 h LYS 4699CO 0.07 0.54 0.98 0.00 -1.08 0.00 0.00 179.45 179.97 1rh8 h ARG 4700N -0.62 0.04 0.22 3.15 2.47 0.40 1.17 114.38 121.21 1rh8 h ARG 4700Ca -0.00 -0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.39 1rh8 h ARG 4700Cb 0.58 -0.01 0.03 0.00 -1.65 0.00 0.00 29.97 28.92 1rh8 h ARG 4700CO 0.00 0.03 -1.47 0.00 0.56 0.00 0.00 179.97 179.09 1rh8 h ARG 4701N 0.04 0.47 -0.56 0.04 3.08 -1.69 -3.25 114.38 112.52 1rh8 h ARG 4701Ca 0.69 -0.80 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1rh8 h ARG 4701Cb 2.62 0.30 0.00 0.00 0.08 0.00 0.00 29.97 32.97 1rh8 h ARG 4701CO -0.07 1.38 0.00 -2.37 -1.07 0.00 0.00 179.97 177.84 1rh8 n THR 4702N -3.66 1.00 1.04 2.04 5.66 0.28 -4.03 114.28 116.61 1rh8 n THR 4702Ca -0.16 -0.69 0.05 0.00 -3.05 0.00 0.00 64.05 60.19 1rh8 n THR 4702Cb 1.09 0.05 0.13 0.00 -1.55 0.00 0.00 70.33 70.05 1rh8 n THR 4702CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1rh8 n LYS 4703N 0.65 1.70 0.00 1.09 4.76 0.33 -3.14 118.16 123.56 1rh8 n LYS 4703Ca 0.16 -1.06 0.00 0.00 -2.87 0.00 0.00 58.31 54.53 1rh8 n LYS 4703Cb 0.55 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.49 1rh8 n LYS 4703CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1rh8 n TYR 4704N 0.36 0.00 -0.03 2.13 4.01 -1.26 -3.56 117.16 118.81 1rh8 n TYR 4704Ca 0.10 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.86 1rh8 n TYR 4704Cb 0.26 -0.42 -0.14 0.00 -0.31 0.00 0.00 39.34 38.73 1rh8 n TYR 4704CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1rh8 n VAL 4705N -1.75 0.68 1.38 -0.72 0.24 -1.26 -4.27 118.33 112.63 1rh8 n VAL 4705Ca 0.00 -0.65 0.14 0.00 -2.04 0.00 0.00 64.34 61.78 1rh8 n VAL 4705Cb 0.00 -0.29 0.45 0.00 -1.47 0.00 0.00 33.84 32.53 1rh8 n VAL 4705CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rh8 n GLN 4706N -2.54 1.39 -0.01 7.34 6.02 -1.19 -4.03 117.38 124.36 1rh8 n GLN 4706Ca -0.14 -0.83 -0.01 0.00 -0.01 0.00 0.00 57.00 56.01 1rh8 n GLN 4706Cb 0.81 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.58 1rh8 n GLN 4706CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1rh8 h LYS 4707N 2.03 -0.02 -0.64 -1.09 2.10 -1.64 -0.68 116.57 116.62 1rh8 h LYS 4707Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1rh8 h LYS 4707Cb 0.53 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1rh8 h LYS 4707CO 0.00 -0.02 0.00 0.43 -2.00 0.00 0.00 179.45 177.86 1rh8 n SER 4708N -2.84 3.73 -0.12 7.07 7.64 -1.26 -4.46 113.62 123.38 1rh8 n SER 4708Ca -0.00 -2.00 -0.21 0.00 1.01 0.00 0.00 58.87 57.67 1rh8 n SER 4708Cb 0.02 -0.43 -0.09 0.00 -1.01 0.00 0.00 64.21 62.70 1rh8 n SER 4708CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rh8 n LEU 4709N 1.41 2.32 -3.43 -3.43 4.77 -1.13 -4.16 117.00 113.35 1rh8 n LEU 4709Ca 0.22 0.09 -0.22 0.00 -0.03 0.00 0.00 56.01 56.07 1rh8 n LEU 4709Cb 0.58 -0.74 -0.11 0.00 -2.33 0.00 0.00 43.42 40.82 1rh8 n LEU 4709CO 0.15 0.69 -0.23 0.20 -1.33 0.00 0.00 177.39 176.86 1rh8 s ASN 4710N -6.67 2.20 0.22 -1.43 0.01 -0.28 -2.07 114.94 106.91 1rh8 s ASN 4710Ca -0.32 -1.34 -0.14 0.00 -0.71 0.00 0.00 52.86 50.35 1rh8 s ASN 4710Cb 0.10 0.17 -0.08 0.00 0.41 0.00 0.00 41.25 41.86 1rh8 s ASN 4710CO 0.47 -0.35 0.62 -2.16 -1.51 0.00 0.00 177.10 174.16 1rh8 s PRO 4711N 1.84 3.98 0.43 -0.60 0.04 -1.16 -4.65 135.00 134.88 1rh8 s PRO 4711Ca 0.13 0.53 0.07 0.00 0.04 0.00 0.00 61.00 61.77 1rh8 s PRO 4711Cb -0.16 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 1rh8 s PRO 4711CO -0.20 0.36 0.21 -1.21 0.04 0.00 0.00 177.00 176.20 1rh8 s GLU 4712N -2.40 2.26 0.00 4.56 2.02 -1.26 -1.37 118.70 122.52 1rh8 s GLU 4712Ca 0.44 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 53.59 1rh8 s GLU 4712Cb -0.13 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.08 1rh8 s GLU 4712CO 0.20 -0.18 0.00 0.91 0.02 0.00 0.00 175.26 176.21 1rh8 n TRP 4713N -1.32 -0.31 -4.21 1.61 8.01 0.55 -4.66 117.44 117.12 1rh8 n TRP 4713Ca -0.01 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.85 1rh8 n TRP 4713Cb 0.64 0.18 -0.05 0.00 -2.01 0.00 0.00 31.31 30.07 1rh8 n TRP 4713CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1rh8 n ASN 4714N -1.85 -1.17 -4.88 -0.99 5.03 -0.08 -3.61 115.26 107.70 1rh8 n ASN 4714Ca 0.00 -1.11 -0.24 0.00 0.87 0.00 0.00 54.58 54.10 1rh8 n ASN 4714Cb 0.00 -2.41 -0.02 0.00 -1.02 0.00 0.00 39.78 36.33 1rh8 n ASN 4714CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1rh8 s GLN 4715N -6.97 2.35 -0.04 3.52 -1.52 -0.22 -4.94 119.66 111.84 1rh8 s GLN 4715Ca 0.36 -1.82 -0.03 0.00 -1.95 0.00 0.00 55.36 51.92 1rh8 s GLN 4715Cb -0.20 -2.20 0.01 0.00 -0.22 0.00 0.00 33.01 30.40 1rh8 s GLN 4715CO 0.95 -0.42 0.10 0.99 -0.25 0.00 0.00 175.29 176.65 1rh8 s THR 4716N -2.64 -0.00 0.08 -0.19 2.01 -1.26 -1.77 115.64 111.87 1rh8 s THR 4716Ca 0.41 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.45 1rh8 s THR 4716Cb -0.02 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.31 1rh8 s THR 4716CO 0.24 0.01 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.41 1rh8 s VAL 4717N 0.13 0.71 0.04 3.82 1.01 0.21 -4.97 120.40 121.36 1rh8 s VAL 4717Ca -0.01 -1.60 0.01 0.00 0.00 0.00 0.00 61.98 60.38 1rh8 s VAL 4717Cb -0.01 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1rh8 s VAL 4717CO -0.00 -0.64 -0.05 -0.63 0.00 0.00 0.00 175.10 173.78 1rh8 s ILE 4718N -2.62 0.29 -0.58 2.22 1.01 -1.26 0.86 121.20 121.12 1rh8 s ILE 4718Ca 0.03 -1.19 0.05 0.00 0.00 0.00 0.00 60.65 59.54 1rh8 s ILE 4718Cb -0.02 -0.68 0.18 0.00 0.01 0.00 0.00 42.46 41.95 1rh8 s ILE 4718CO -0.02 -0.58 0.46 -1.22 0.00 0.00 0.00 174.94 173.57 1rh8 n TYR 4719N 1.18 1.54 -1.78 3.97 4.01 0.30 -4.93 117.16 121.45 1rh8 n TYR 4719Ca -0.21 -3.89 -0.34 0.00 -0.16 0.00 0.00 57.90 53.30 1rh8 n TYR 4719Cb 0.56 -0.27 0.05 0.00 -0.31 0.00 0.00 39.34 39.37 1rh8 n TYR 4719CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1rh8 s LYS 4720N -0.95 2.70 0.00 -0.72 3.01 -1.26 -2.31 119.74 120.21 1rh8 s LYS 4720Ca 0.29 1.63 0.00 0.00 -1.01 0.00 0.00 55.97 56.88 1rh8 s LYS 4720Cb 0.01 -1.92 0.00 0.00 -1.01 0.00 0.00 37.83 34.91 1rh8 s LYS 4720CO -0.17 -1.37 0.00 0.45 0.51 0.00 0.00 175.35 174.77 1rh8 n SER 4721N -2.19 -1.11 -3.82 2.83 2.88 -1.16 -4.95 113.62 106.11 1rh8 n SER 4721Ca 0.12 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.40 1rh8 n SER 4721Cb 0.51 -0.42 -0.17 0.00 -0.75 0.00 0.00 64.21 63.38 1rh8 n SER 4721CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1rh8 s ILE 4722N -2.00 0.73 0.21 2.46 1.01 -0.25 -5.06 121.20 118.30 1rh8 s ILE 4722Ca 0.00 -0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.40 1rh8 s ILE 4722Cb 0.00 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 1rh8 s ILE 4722CO 0.00 0.14 0.13 -0.94 0.00 0.00 0.00 174.94 174.27 1rh8 s SER 4723N 1.81 5.34 0.62 3.58 1.04 -1.26 -3.99 113.70 120.84 1rh8 s SER 4723Ca 0.02 -0.26 0.26 0.00 0.48 0.00 0.00 55.95 56.45 1rh8 s SER 4723Cb -0.14 -1.32 1.26 0.00 0.10 0.00 0.00 66.02 65.92 1rh8 s SER 4723CO -0.07 0.02 1.70 -0.03 0.98 0.00 0.00 173.24 175.83 1rh8 h MET 4724N 2.00 0.00 0.10 4.02 4.05 -1.94 1.11 114.93 124.27 1rh8 h MET 4724Ca -0.48 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 58.95 1rh8 h MET 4724Cb 1.22 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.00 1rh8 h MET 4724CO 0.61 0.00 -0.16 0.93 0.23 0.00 0.00 176.91 178.53 1rh8 h GLU 4725N 0.00 -0.30 0.00 0.39 5.08 -2.00 -1.62 114.58 116.12 1rh8 h GLU 4725Ca 0.20 0.02 -0.32 0.00 -1.00 0.00 0.00 59.36 58.26 1rh8 h GLU 4725Cb 1.50 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.76 1rh8 h GLU 4725CO -0.00 -0.20 -2.09 1.04 -1.00 0.00 0.00 179.01 176.76 1rh8 n GLN 4726N -5.28 0.66 -0.05 2.33 1.13 -0.12 -4.37 117.38 111.69 1rh8 n GLN 4726Ca -0.07 0.10 -0.08 0.00 -1.94 0.00 0.00 57.00 55.02 1rh8 n GLN 4726Cb 0.20 -1.63 -0.02 0.00 0.11 0.00 0.00 30.24 28.90 1rh8 n GLN 4726CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1rh8 h LEU 4727N 0.00 -0.31 -2.08 1.08 5.85 0.12 0.36 115.31 120.33 1rh8 h LEU 4727Ca -0.42 0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.48 1rh8 h LEU 4727Cb 2.08 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 43.28 1rh8 h LEU 4727CO 0.05 -0.12 0.34 0.24 -0.34 0.00 0.00 178.44 178.60 1rh8 h MET 4728N -0.05 0.00 0.00 1.25 2.86 -1.49 0.51 114.93 118.01 1rh8 h MET 4728Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1rh8 h MET 4728Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1rh8 h MET 4728CO -0.27 0.00 -0.50 0.87 1.06 0.00 0.00 176.91 178.07 1rh8 h LYS 4729N 0.00 0.00 -6.10 1.72 1.79 -1.17 -2.85 116.57 109.97 1rh8 h LYS 4729Ca 0.16 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 58.03 1rh8 h LYS 4729Cb 0.83 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.43 1rh8 h LYS 4729CO -0.00 0.00 -0.24 0.15 -1.08 0.00 0.00 179.45 178.28 1rh8 s LYS 4730N -3.23 3.78 -0.15 3.15 1.02 0.18 -4.78 119.74 119.71 1rh8 s LYS 4730Ca 0.05 0.21 0.01 0.00 0.02 0.00 0.00 55.97 56.26 1rh8 s LYS 4730Cb 0.10 -3.03 -0.00 0.00 -0.52 0.00 0.00 37.83 34.38 1rh8 s LYS 4730CO 0.71 0.58 -0.16 0.99 -0.92 0.00 0.00 175.35 176.55 1rh8 s THR 4731N -1.35 2.62 -0.41 2.17 2.01 -1.26 -2.54 115.64 116.88 1rh8 s THR 4731Ca 0.32 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 61.24 1rh8 s THR 4731Cb -0.14 -2.10 0.02 0.00 0.01 0.00 0.00 72.50 70.29 1rh8 s THR 4731CO 0.17 0.52 1.12 -0.22 -0.69 0.00 0.00 174.62 175.53 1rh8 s LEU 4732N 0.75 3.76 -0.30 4.42 2.96 0.11 -1.41 118.68 128.97 1rh8 s LEU 4732Ca -0.07 0.73 -0.09 0.00 -0.22 0.00 0.00 54.13 54.49 1rh8 s LEU 4732Cb -0.16 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 1rh8 s LEU 4732CO 0.01 -1.10 0.12 -0.70 -1.32 0.00 0.00 176.35 173.36 1rh8 s GLU 4733N 4.13 3.29 -0.22 1.98 2.12 -1.08 0.35 118.70 129.27 1rh8 s GLU 4733Ca 0.47 -0.74 -0.15 0.00 0.36 0.00 0.00 54.97 54.91 1rh8 s GLU 4733Cb -0.10 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1rh8 s GLU 4733CO 0.25 -0.41 0.36 0.08 -0.54 0.00 0.00 175.26 175.00 1rh8 s VAL 4734N 1.58 5.22 -0.10 3.70 1.01 0.15 -3.19 120.40 128.77 1rh8 s VAL 4734Ca 0.04 0.60 0.01 0.00 0.00 0.00 0.00 61.98 62.63 1rh8 s VAL 4734Cb -0.17 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1rh8 s VAL 4734CO 0.05 0.25 -0.10 0.42 0.00 0.00 0.00 175.10 175.72 1rh8 s THR 4735N 1.38 1.13 -0.13 3.92 -4.23 -0.58 0.11 115.64 117.24 1rh8 s THR 4735Ca 0.17 -0.40 -0.18 0.00 -1.18 0.00 0.00 61.69 60.10 1rh8 s THR 4735Cb -0.15 -1.09 -0.04 0.00 1.34 0.00 0.00 72.50 72.56 1rh8 s THR 4735CO 0.08 0.37 0.49 -0.69 -0.54 0.00 0.00 174.62 174.33 1rh8 s VAL 4736N 1.30 5.17 0.07 2.29 1.01 0.33 0.12 120.40 130.68 1rh8 s VAL 4736Ca -0.02 0.96 0.06 0.00 0.00 0.00 0.00 61.98 62.97 1rh8 s VAL 4736Cb -0.14 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1rh8 s VAL 4736CO -0.04 0.30 -0.16 0.26 0.00 0.00 0.00 175.10 175.46 1rh8 s TRP 4737N 0.79 1.34 -0.05 5.22 0.52 0.28 0.45 118.94 127.50 1rh8 s TRP 4737Ca 0.26 -0.42 0.06 0.00 0.02 0.00 0.00 56.10 56.01 1rh8 s TRP 4737Cb -0.15 -0.76 -0.01 0.00 -1.15 0.00 0.00 33.47 31.39 1rh8 s TRP 4737CO 0.10 0.08 -0.25 0.34 0.02 0.00 0.00 176.95 177.25 1rh8 s ASP 4738N -1.61 3.02 -0.05 2.95 -1.08 0.15 0.11 116.67 120.15 1rh8 s ASP 4738Ca 0.01 -0.50 -0.30 0.00 -0.52 0.00 0.00 52.55 51.24 1rh8 s ASP 4738Cb -0.09 -0.80 -0.05 0.00 -1.46 0.00 0.00 42.92 40.52 1rh8 s ASP 4738CO 0.02 0.25 1.43 -0.31 0.52 0.00 0.00 175.17 177.08 1rh8 s TYR 4739N -0.18 2.63 0.00 -5.34 2.02 -1.26 0.12 117.35 115.33 1rh8 s TYR 4739Ca -0.03 0.70 0.00 0.00 -0.37 0.00 0.00 57.07 57.38 1rh8 s TYR 4739Cb -0.13 -3.69 0.00 0.00 -0.40 0.00 0.00 41.96 37.74 1rh8 s TYR 4739CO 0.03 -2.63 0.00 -3.47 -1.57 0.00 0.00 175.55 167.92 1rh8 n ASP 4740N 6.12 -0.50 -0.07 2.29 2.03 -0.83 -4.89 116.55 120.71 1rh8 n ASP 4740Ca 0.14 -0.45 -0.07 0.00 0.52 0.00 0.00 54.79 54.94 1rh8 n ASP 4740Cb 0.44 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.69 1rh8 n ASP 4740CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1rh8 n ARG 4741N -0.94 0.67 0.24 -0.67 3.00 -1.26 -4.55 116.66 113.15 1rh8 n ARG 4741Ca 0.00 0.05 -0.10 0.00 -0.01 0.00 0.00 57.85 57.79 1rh8 n ARG 4741Cb 0.00 -1.59 -0.05 0.00 0.00 0.00 0.00 32.46 30.82 1rh8 n ARG 4741CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 1rh8 h PHE 4742N 0.00 -0.62 0.00 -1.55 -1.00 -2.03 -3.48 116.94 108.26 1rh8 h PHE 4742Ca -0.42 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.34 1rh8 h PHE 4742Cb 2.05 0.20 0.00 0.00 3.61 0.00 0.00 35.95 41.81 1rh8 h PHE 4742CO 0.00 -0.38 0.00 0.45 -1.61 0.00 0.00 178.31 176.77 1rh8 n SER 4743N -4.88 0.00 -3.15 2.17 2.88 -1.26 -5.15 113.62 104.23 1rh8 n SER 4743Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1rh8 n SER 4743Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1rh8 n SER 4743CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1rh8 n SER 4744N 0.00 -1.26 -4.46 -3.46 2.88 -1.26 -4.67 113.62 101.39 1rh8 n SER 4744Ca 0.00 -0.09 -0.22 0.00 -1.33 0.00 0.00 58.87 57.22 1rh8 n SER 4744Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1rh8 n SER 4744CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1rh8 s ASN 4745N -1.87 2.62 0.20 -3.46 2.20 -1.26 -1.96 114.94 111.41 1rh8 s ASN 4745Ca 0.00 -1.34 0.09 0.00 -0.94 0.00 0.00 52.86 50.67 1rh8 s ASN 4745Cb 0.00 -0.14 -0.04 0.00 -2.00 0.00 0.00 41.25 39.07 1rh8 s ASN 4745CO 0.00 -0.54 -0.18 -0.62 -2.94 0.00 0.00 177.10 172.83 1rh8 s ASP 4746N -3.50 2.84 0.50 3.54 2.15 0.32 -4.79 116.67 117.73 1rh8 s ASP 4746Ca 0.35 -0.94 -0.17 0.00 0.43 0.00 0.00 52.55 52.21 1rh8 s ASP 4746Cb 0.08 -0.18 -0.08 0.00 -0.30 0.00 0.00 42.92 42.44 1rh8 s ASP 4746CO 0.15 -0.06 0.98 0.12 -0.17 0.00 0.00 175.17 176.19 1rh8 s PHE 4747N -2.41 3.41 0.00 -5.34 5.36 -1.26 0.31 117.98 118.05 1rh8 s PHE 4747Ca 0.21 1.49 0.00 0.00 -0.96 0.00 0.00 56.93 57.67 1rh8 s PHE 4747Cb -0.04 -2.81 0.00 0.00 -0.34 0.00 0.00 43.02 39.83 1rh8 s PHE 4747CO 0.08 -0.36 0.00 1.28 -1.46 0.00 0.00 175.22 174.77 1rh8 n LEU 4748N -1.44 0.01 0.00 6.12 4.77 0.17 -4.69 117.00 121.94 1rh8 n LEU 4748Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1rh8 n LEU 4748Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1rh8 n LEU 4748CO 0.45 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1rh8 n GLY 4749N 0.67 1.02 2.78 -0.72 0.00 -1.00 -4.20 105.19 103.73 1rh8 n GLY 4749Ca 0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 1rh8 n GLY 4749CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rh8 s GLU 4750N -1.99 -0.01 0.09 1.61 2.12 -0.57 0.12 118.70 120.07 1rh8 s GLU 4750Ca 0.00 0.17 0.08 0.00 0.36 0.00 0.00 54.97 55.58 1rh8 s GLU 4750Cb 0.00 -0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.10 1rh8 s GLU 4750CO 0.00 -0.16 -0.20 0.08 -0.54 0.00 0.00 175.26 174.44 1rh8 s VAL 4751N 1.03 1.59 -0.23 3.70 1.01 0.31 0.11 120.40 127.92 1rh8 s VAL 4751Ca -0.09 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 60.45 1rh8 s VAL 4751Cb -0.13 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.84 1rh8 s VAL 4751CO -0.03 -0.05 -0.12 -0.76 0.00 0.00 0.00 175.10 174.14 1rh8 s LEU 4752N -1.77 2.92 -0.37 3.92 1.43 -1.26 -0.68 118.68 122.87 1rh8 s LEU 4752Ca 0.05 -0.93 -0.00 0.00 -1.03 0.00 0.00 54.13 52.22 1rh8 s LEU 4752Cb -0.10 -1.58 0.10 0.00 0.03 0.00 0.00 46.19 44.64 1rh8 s LEU 4752CO 0.04 -0.10 0.12 -0.63 0.23 0.00 0.00 176.35 176.01 1rh8 s ILE 4753N 1.26 2.86 -0.05 -0.59 1.09 0.15 -4.99 121.20 120.94 1rh8 s ILE 4753Ca -0.01 -2.11 -0.30 0.00 -1.10 0.00 0.00 60.65 57.14 1rh8 s ILE 4753Cb -0.16 -2.98 -0.05 0.00 -1.06 0.00 0.00 42.46 38.20 1rh8 s ILE 4753CO -0.07 -0.60 1.59 -1.81 -0.10 0.00 0.00 174.94 173.95 1rh8 s ASP 4754N 1.42 6.71 0.02 3.58 1.11 -1.26 0.07 116.67 128.32 1rh8 s ASP 4754Ca 0.08 2.19 0.23 0.00 0.18 0.00 0.00 52.55 55.23 1rh8 s ASP 4754Cb -0.21 -2.54 0.97 0.00 1.07 0.00 0.00 42.92 42.21 1rh8 s ASP 4754CO -0.05 -0.88 1.74 0.18 1.18 0.00 0.00 175.17 177.33 1rh8 n LEU 4755N 6.78 0.06 0.28 1.23 4.77 -1.05 -2.12 117.00 126.95 1rh8 n LEU 4755Ca 0.16 0.51 0.18 0.00 -0.03 0.00 0.00 56.01 56.84 1rh8 n LEU 4755Cb 0.43 -0.49 0.83 0.00 -2.33 0.00 0.00 43.42 41.85 1rh8 n LEU 4755CO 0.61 -0.13 1.04 -1.28 -1.33 0.00 0.00 177.39 176.31 1rh8 h SER 4756N 0.00 0.00 0.00 -1.43 0.87 -1.69 -3.21 113.55 108.09 1rh8 h SER 4756Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1rh8 h SER 4756Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1rh8 h SER 4756CO 0.00 0.00 -0.28 -0.24 -0.53 0.00 0.00 176.83 175.78 1rh8 n SER 4757N -3.00 0.00 -4.50 6.23 2.88 -1.17 -4.95 113.62 109.11 1rh8 n SER 4757Ca -0.00 -1.56 -0.15 0.00 -1.33 0.00 0.00 58.87 55.82 1rh8 n SER 4757Cb 0.22 -0.11 -0.12 0.00 -0.75 0.00 0.00 64.21 63.45 1rh8 n SER 4757CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1rh8 n THR 4758N 0.00 0.00 0.62 2.46 5.66 -0.90 -4.69 114.28 117.43 1rh8 n THR 4758Ca 0.00 -0.45 0.08 0.00 -3.05 0.00 0.00 64.05 60.64 1rh8 n THR 4758Cb 0.61 -1.18 0.37 0.00 -1.55 0.00 0.00 70.33 68.59 1rh8 n THR 4758CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1rh8 n SER 4759N 13.41 0.00 -1.12 1.09 7.64 -1.26 -2.58 113.62 130.79 1rh8 n SER 4759Ca 0.50 0.45 0.04 0.00 1.01 0.00 0.00 58.87 60.87 1rh8 n SER 4759Cb 0.34 -0.48 0.20 0.00 -1.01 0.00 0.00 64.21 63.26 1rh8 n SER 4759CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1rh8 n HIS 4760N -1.48 0.96 -0.17 1.43 8.25 -1.26 -4.23 115.22 118.73 1rh8 n HIS 4760Ca 0.05 -0.35 -0.07 0.00 -0.26 0.00 0.00 57.72 57.09 1rh8 n HIS 4760Cb 0.19 -0.26 0.08 0.00 1.12 0.00 0.00 29.99 31.13 1rh8 n HIS 4760CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1rh8 h LEU 4761N 2.04 0.93 -4.41 2.41 3.38 -1.64 -3.12 115.31 114.90 1rh8 h LEU 4761Ca 0.00 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1rh8 h LEU 4761Cb 1.13 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1rh8 h LEU 4761CO 0.21 0.99 0.10 0.47 0.09 0.00 0.00 178.44 180.29 1rh8 n ASP 4762N -4.19 2.28 -4.16 -0.43 8.00 -1.26 -3.43 116.55 113.36 1rh8 n ASP 4762Ca 0.03 -1.88 -0.33 0.00 0.71 0.00 0.00 54.79 53.33 1rh8 n ASP 4762Cb 0.33 -0.60 -0.05 0.00 -0.02 0.00 0.00 41.12 40.78 1rh8 n ASP 4762CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1rh8 n ASN 4763N 2.63 -0.60 -4.22 -2.24 5.15 -0.60 -4.92 115.26 110.45 1rh8 n ASN 4763Ca 0.16 -1.21 -0.38 0.00 -0.60 0.00 0.00 54.58 52.55 1rh8 n ASN 4763Cb 0.37 -2.04 -0.11 0.00 -0.53 0.00 0.00 39.78 37.47 1rh8 n ASN 4763CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1rh8 s THR 4764N -4.08 3.77 -0.15 -0.44 -4.23 -1.20 -4.93 115.64 104.37 1rh8 s THR 4764Ca 0.12 -1.51 -0.29 0.00 -1.18 0.00 0.00 61.69 58.82 1rh8 s THR 4764Cb -0.06 -3.33 -0.04 0.00 1.34 0.00 0.00 72.50 70.41 1rh8 s THR 4764CO 0.96 -0.45 1.72 -2.16 -0.54 0.00 0.00 174.62 174.16 1rh8 s PRO 4765N 1.33 3.85 0.17 3.99 0.04 -1.26 -4.46 135.00 138.66 1rh8 s PRO 4765Ca 0.02 1.92 0.04 0.00 0.04 0.00 0.00 61.00 63.03 1rh8 s PRO 4765Cb -0.22 -4.07 -0.05 0.00 0.04 0.00 0.00 34.50 30.20 1rh8 s PRO 4765CO 0.00 -1.24 -0.07 1.03 0.04 0.00 0.00 177.00 176.77 1rh8 s ARG 4766N 4.67 1.12 -0.07 4.56 1.81 -0.83 -4.94 118.95 125.28 1rh8 s ARG 4766Ca 0.77 -1.51 -0.17 0.00 -1.72 0.00 0.00 55.73 53.10 1rh8 s ARG 4766Cb -0.30 -0.58 -0.05 0.00 -0.45 0.00 0.00 34.95 33.58 1rh8 s ARG 4766CO 0.31 0.01 0.46 -1.58 -0.68 0.00 0.00 175.30 173.82 1rh8 s TRP 4767N -3.39 3.60 -0.26 -0.53 0.52 -1.26 -2.38 118.94 115.24 1rh8 s TRP 4767Ca 0.20 0.94 0.01 0.00 0.02 0.00 0.00 56.10 57.27 1rh8 s TRP 4767Cb 0.04 -2.46 0.05 0.00 -1.15 0.00 0.00 33.47 29.95 1rh8 s TRP 4767CO 0.03 0.35 -0.08 0.71 0.02 0.00 0.00 176.95 177.98 1rh8 s TYR 4768N -0.04 3.21 -0.03 -1.98 1.51 0.29 -4.93 117.35 115.38 1rh8 s TYR 4768Ca 0.25 -2.06 -0.34 0.00 -1.01 0.00 0.00 57.07 53.91 1rh8 s TYR 4768Cb -0.16 -2.00 -0.12 0.00 -0.11 0.00 0.00 41.96 39.57 1rh8 s TYR 4768CO 0.12 -0.84 1.80 -2.30 -1.11 0.00 0.00 175.55 173.22 1rh8 n PRO 4769N 4.53 2.12 -2.63 -1.71 -0.02 -1.26 -1.18 135.00 134.84 1rh8 n PRO 4769Ca -0.15 0.77 -0.35 0.00 -2.02 0.00 0.00 63.50 61.75 1rh8 n PRO 4769Cb 0.44 -2.59 -0.05 0.00 -0.02 0.00 0.00 33.50 31.27 1rh8 n PRO 4769CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1rh8 s LEU 4770N 3.27 4.08 0.45 2.45 1.43 -1.05 -4.65 118.68 124.65 1rh8 s LEU 4770Ca 0.90 1.92 0.06 0.00 -1.03 0.00 0.00 54.13 55.97 1rh8 s LEU 4770Cb -0.71 -4.30 -0.04 0.00 0.03 0.00 0.00 46.19 41.18 1rh8 s LEU 4770CO 0.49 -0.45 0.14 -0.54 0.23 0.00 0.00 176.35 176.22 1rh8 s LYS 4771N -2.69 2.17 0.45 1.70 1.02 0.31 -4.77 119.74 117.93 1rh8 s LYS 4771Ca 0.59 -2.03 -0.15 0.00 0.02 0.00 0.00 55.97 54.40 1rh8 s LYS 4771Cb -0.18 -1.84 -0.08 0.00 -0.52 0.00 0.00 37.83 35.21 1rh8 s LYS 4771CO 0.23 -0.22 0.89 -1.21 -0.92 0.00 0.00 175.35 174.12 1rh8 s GLU 4772N -3.91 3.93 0.56 1.68 2.02 -1.26 -1.51 118.70 120.21 1rh8 s GLU 4772Ca 0.32 0.80 -0.21 0.00 0.02 0.00 0.00 54.97 55.90 1rh8 s GLU 4772Cb 0.04 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 1rh8 s GLU 4772CO 0.18 -0.13 1.34 0.00 0.02 0.00 0.00 175.26 176.66 1rh8 n GLN 4773N -1.28 1.59 -2.78 1.61 10.64 -1.26 -4.83 117.38 121.08 1rh8 n GLN 4773Ca 0.05 0.59 -0.43 0.00 -1.83 0.00 0.00 57.00 55.39 1rh8 n GLN 4773Cb 0.54 -2.56 -0.04 0.00 -0.86 0.00 0.00 30.24 27.32 1rh8 n GLN 4773CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1rh8 s THR 4774N -1.30 4.24 -0.26 -0.39 2.01 -1.26 -4.98 115.64 113.71 1rh8 s THR 4774Ca 0.73 0.20 -0.29 0.00 0.31 0.00 0.00 61.69 62.65 1rh8 s THR 4774Cb -0.41 -4.65 -0.06 0.00 0.01 0.00 0.00 72.50 67.39 1rh8 s THR 4774CO 0.48 -1.33 2.24 -0.62 -0.69 0.00 0.00 174.62 174.70 1rh8 n GLU 4775N 7.89 1.79 -0.50 4.92 1.02 -1.26 -5.31 120.64 129.20 1rh8 n GLU 4775Ca 0.01 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1rh8 n GLU 4775Cb 0.47 -3.19 0.00 0.00 -0.02 0.00 0.00 31.44 28.71 1rh8 n GLU 4775CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76