#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jcc s SER 2 N 0.00 7.03 0.09 1.61 1.04 -1.26 -3.96 113.70 118.24 2jcc s SER 2 Ca 0.00 1.67 -0.01 0.00 0.48 0.00 0.00 55.95 58.09 2jcc s SER 2 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 2jcc s SER 2 CO 0.00 -0.25 0.02 -1.00 0.98 0.00 0.00 173.24 172.99 2jcc s HIS 3 N -1.98 0.65 0.07 5.02 0.09 -0.48 -4.99 115.29 113.67 2jcc s HIS 3 Ca 0.57 -1.12 -0.12 0.00 -0.00 0.00 0.00 55.06 54.39 2jcc s HIS 3 Cb -0.12 -0.41 0.01 0.00 -0.00 0.00 0.00 32.58 32.06 2jcc s HIS 3 CO 0.17 -0.45 0.26 -1.54 -0.00 0.00 0.00 174.74 173.18 2jcc s SER 4 N -2.97 -0.03 -0.02 1.40 1.04 -1.26 0.35 113.70 112.21 2jcc s SER 4 Ca 0.14 -0.40 0.06 0.00 0.48 0.00 0.00 55.95 56.23 2jcc s SER 4 Cb 0.08 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 2jcc s SER 4 CO -0.05 -0.68 -0.19 -0.32 0.98 0.00 0.00 173.24 172.98 2jcc s MET 5 N -3.21 1.56 -0.03 4.02 -2.45 0.00 -1.05 119.30 118.14 2jcc s MET 5 Ca -0.00 -0.66 -0.06 0.00 -1.25 0.00 0.00 55.69 53.71 2jcc s MET 5 Cb 0.02 -1.48 0.01 0.00 1.25 0.00 0.00 34.83 34.62 2jcc s MET 5 CO -0.07 0.38 0.15 1.03 1.05 0.00 0.00 175.02 177.56 2jcc s ARG 6 N -0.38 0.30 0.02 4.11 1.81 -0.01 -2.29 118.95 122.52 2jcc s ARG 6 Ca 0.06 -0.03 0.09 0.00 -1.72 0.00 0.00 55.73 54.13 2jcc s ARG 6 Cb -0.08 0.13 -0.03 0.00 -0.45 0.00 0.00 34.95 34.53 2jcc s ARG 6 CO -0.00 -0.06 -0.25 0.71 -0.68 0.00 0.00 175.30 175.02 2jcc s TYR 7 N -0.50 2.36 -0.05 -0.53 1.51 -0.77 0.47 117.35 119.85 2jcc s TYR 7 Ca -0.06 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.63 2jcc s TYR 7 Cb -0.04 -1.44 0.01 0.00 -0.11 0.00 0.00 41.96 40.39 2jcc s TYR 7 CO 0.01 0.09 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.37 2jcc s PHE 8 N -0.76 1.25 -0.04 2.71 0.40 -0.06 -2.71 117.98 118.77 2jcc s PHE 8 Ca 0.11 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 2jcc s PHE 8 Cb -0.10 -0.91 -0.00 0.00 0.51 0.00 0.00 43.02 42.51 2jcc s PHE 8 CO 0.01 -0.20 -0.17 -0.06 0.70 0.00 0.00 175.22 175.51 2jcc s PHE 9 N 0.47 1.65 -0.09 0.36 0.08 0.15 -1.57 117.98 119.03 2jcc s PHE 9 Ca -0.09 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.49 2jcc s PHE 9 Cb -0.13 -1.11 0.02 0.00 -0.57 0.00 0.00 43.02 41.23 2jcc s PHE 9 CO 0.02 -0.16 -0.06 0.99 -0.10 0.00 0.00 175.22 175.91 2jcc s THR 10 N 0.03 0.86 -0.06 0.64 2.01 0.68 -1.28 115.64 118.52 2jcc s THR 10 Ca -0.03 -0.22 0.04 0.00 0.31 0.00 0.00 61.69 61.79 2jcc s THR 10 Cb -0.11 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.52 2jcc s THR 10 CO 0.02 0.33 -0.17 -0.94 -0.69 0.00 0.00 174.62 173.16 2jcc s SER 11 N 1.49 2.27 -0.07 3.53 1.04 -0.10 -0.42 113.70 121.43 2jcc s SER 11 Ca -0.00 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.07 2jcc s SER 11 Cb -0.13 -0.82 0.01 0.00 0.10 0.00 0.00 66.02 65.17 2jcc s SER 11 CO -0.05 0.13 -0.14 -0.69 0.98 0.00 0.00 173.24 173.47 2jcc s VAL 12 N 0.26 1.28 0.24 5.02 1.01 -0.15 -0.95 120.40 127.12 2jcc s VAL 12 Ca -0.10 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 2jcc s VAL 12 Cb -0.14 -1.15 -0.09 0.00 0.00 0.00 0.00 36.38 35.00 2jcc s VAL 12 CO 0.04 0.39 1.00 -0.94 0.00 0.00 0.00 175.10 175.59 2jcc s SER 13 N 0.58 7.49 -0.56 3.32 1.04 -0.50 -1.16 113.70 123.91 2jcc s SER 13 Ca -0.15 2.06 0.04 0.00 0.48 0.00 0.00 55.95 58.38 2jcc s SER 13 Cb -0.16 -2.61 0.15 0.00 0.10 0.00 0.00 66.02 63.50 2jcc s SER 13 CO 0.04 0.03 0.37 -0.13 0.98 0.00 0.00 173.24 174.53 2jcc s ARG 14 N -1.17 1.85 0.42 4.02 0.52 -1.26 -4.24 118.95 119.09 2jcc s ARG 14 Ca 0.43 -2.71 0.14 0.00 -0.52 0.00 0.00 55.73 53.07 2jcc s ARG 14 Cb -0.28 -2.81 1.01 0.00 0.52 0.00 0.00 34.95 33.39 2jcc s ARG 14 CO 0.35 -1.25 1.95 -1.00 0.02 0.00 0.00 175.30 175.37 2jcc h PRO 15 N 5.93 0.44 0.00 3.54 0.13 -1.87 -0.91 132.00 139.26 2jcc h PRO 15 Ca 0.09 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2jcc h PRO 15 Cb 0.84 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2jcc h PRO 15 CO 0.60 0.29 0.00 0.41 -0.23 0.00 0.00 178.00 179.07 2jcc n GLY 16 N -1.51 -1.06 3.36 1.56 0.00 -1.26 -4.79 105.19 101.49 2jcc n GLY 16 Ca 0.12 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 2jcc n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jcc s ARG 17 N -2.81 1.65 -0.00 1.61 0.52 -0.35 -5.10 118.95 114.46 2jcc s ARG 17 Ca 0.13 -1.95 -0.11 0.00 -0.52 0.00 0.00 55.73 53.29 2jcc s ARG 17 Cb 0.13 -0.20 -0.06 0.00 0.52 0.00 0.00 34.95 35.34 2jcc s ARG 17 CO 0.33 -0.44 0.75 0.78 0.02 0.00 0.00 175.30 176.74 2jcc h GLY 18 N 2.15 -0.41 -3.71 -3.53 0.00 -1.87 -3.45 103.07 92.25 2jcc h GLY 18 Ca -0.34 0.15 -0.54 0.00 0.00 0.00 0.00 47.33 46.60 2jcc h GLY 18 CO 0.53 -0.15 -0.14 -0.54 0.00 0.00 0.00 176.54 176.24 2jcc s GLU 19 N -3.14 3.78 0.78 4.80 2.02 -1.26 -4.85 118.70 120.83 2jcc s GLU 19 Ca -0.06 0.22 -0.11 0.00 0.02 0.00 0.00 54.97 55.05 2jcc s GLU 19 Cb 0.01 -2.68 0.06 0.00 0.10 0.00 0.00 34.13 31.62 2jcc s GLU 19 CO 0.17 0.34 1.09 -1.25 0.02 0.00 0.00 175.26 175.63 2jcc s PRO 20 N -2.78 2.15 -0.16 0.39 0.04 -1.26 -4.30 135.00 129.08 2jcc s PRO 20 Ca 0.46 1.15 -0.15 0.00 0.04 0.00 0.00 61.00 62.51 2jcc s PRO 20 Cb -0.11 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2jcc s PRO 20 CO 0.22 -1.71 0.33 0.50 0.04 0.00 0.00 177.00 176.38 2jcc s ARG 21 N -4.90 4.26 -0.08 4.56 6.06 -0.31 -4.94 118.95 123.61 2jcc s ARG 21 Ca 0.61 0.16 0.04 0.00 -2.50 0.00 0.00 55.73 54.04 2jcc s ARG 21 Cb -0.17 -3.44 0.00 0.00 0.06 0.00 0.00 34.95 31.40 2jcc s ARG 21 CO 0.56 0.19 -0.19 0.12 -2.50 0.00 0.00 175.30 173.48 2jcc s PHE 22 N 0.60 2.05 -0.03 5.12 5.36 -1.26 -0.98 117.98 128.84 2jcc s PHE 22 Ca 0.18 -0.76 0.02 0.00 -0.96 0.00 0.00 56.93 55.41 2jcc s PHE 22 Cb -0.13 -1.40 0.01 0.00 -0.34 0.00 0.00 43.02 41.15 2jcc s PHE 22 CO 0.05 -0.31 -0.08 0.42 -1.46 0.00 0.00 175.22 173.83 2jcc s ILE 23 N 0.35 0.75 -0.02 3.12 1.01 0.43 -0.75 121.20 126.09 2jcc s ILE 23 Ca -0.14 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.21 2jcc s ILE 23 Cb -0.16 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.64 2jcc s ILE 23 CO 0.06 0.24 -0.08 0.00 0.00 0.00 0.00 174.94 175.16 2jcc s ALA 24 N 0.31 0.79 0.03 9.38 0.00 0.23 -0.23 121.76 132.26 2jcc s ALA 24 Ca -0.05 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.62 2jcc s ALA 24 Cb -0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 2jcc s ALA 24 CO 0.01 0.13 -0.05 0.14 0.00 0.00 0.00 175.76 175.98 2jcc s VAL 25 N 0.19 0.34 -0.08 0.00 -7.23 -0.61 -0.16 120.40 112.84 2jcc s VAL 25 Ca -0.03 -0.96 0.02 0.00 -1.81 0.00 0.00 61.98 59.20 2jcc s VAL 25 Cb -0.08 -0.44 -0.02 0.00 0.56 0.00 0.00 36.38 36.40 2jcc s VAL 25 CO 0.00 -0.41 -0.13 -0.83 -0.31 0.00 0.00 175.10 173.42 2jcc s GLY 26 N -1.45 1.55 -0.01 2.32 0.00 -0.67 -0.88 107.32 108.19 2jcc s GLY 26 Ca -0.12 -0.93 0.07 0.00 0.00 0.00 0.00 44.72 43.73 2jcc s GLY 26 CO -0.00 -0.52 -0.22 -0.19 0.00 0.00 0.00 173.10 172.18 2jcc s TYR 27 N -0.29 2.47 -0.25 1.90 1.51 0.18 -0.56 117.35 122.31 2jcc s TYR 27 Ca 0.02 -0.33 -0.07 0.00 -1.01 0.00 0.00 57.07 55.69 2jcc s TYR 27 Cb -0.13 -1.51 -0.02 0.00 -0.11 0.00 0.00 41.96 40.19 2jcc s TYR 27 CO 0.03 0.09 0.05 0.08 -1.11 0.00 0.00 175.55 174.69 2jcc s VAL 28 N -0.72 4.08 0.00 0.71 1.01 -0.66 -0.83 120.40 123.99 2jcc s VAL 28 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2jcc s VAL 28 Cb -0.10 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.35 2jcc s VAL 28 CO 0.01 0.32 0.00 0.47 0.00 0.00 0.00 175.10 175.90 2jcc n ASP 29 N 4.89 0.00 -1.52 3.32 8.00 -0.22 -0.96 116.55 130.07 2jcc n ASP 29 Ca -0.16 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.41 2jcc n ASP 29 Cb 0.51 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 41.96 2jcc n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2jcc n ASP 30 N 4.94 5.02 -4.27 -2.24 8.00 -1.26 -4.90 116.55 121.83 2jcc n ASP 30 Ca 0.00 -2.90 -0.36 0.00 0.71 0.00 0.00 54.79 52.24 2jcc n ASP 30 Cb 0.00 -0.62 -0.13 0.00 -0.02 0.00 0.00 41.12 40.34 2jcc n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2jcc s THR 31 N -2.68 3.49 0.25 -3.53 2.01 -0.13 -5.04 115.64 110.01 2jcc s THR 31 Ca 0.50 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 2jcc s THR 31 Cb 0.38 -2.83 -0.11 0.00 0.01 0.00 0.00 72.50 69.95 2jcc s THR 31 CO 0.14 0.08 1.56 -1.58 -0.69 0.00 0.00 174.62 174.13 2jcc s GLN 32 N 1.41 4.18 0.00 4.92 0.74 -1.26 -1.66 119.66 127.99 2jcc s GLN 32 Ca 0.01 2.45 0.00 0.00 0.05 0.00 0.00 55.36 57.87 2jcc s GLN 32 Cb -0.17 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 30.86 2jcc s GLN 32 CO -0.00 -0.57 0.00 1.97 -0.55 0.00 0.00 175.29 176.13 2jcc n PHE 33 N 2.76 0.00 -3.80 1.67 1.16 0.27 -3.96 117.46 115.56 2jcc n PHE 33 Ca 0.10 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.57 2jcc n PHE 33 Cb 0.38 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.17 2jcc n PHE 33 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 2jcc s VAL 34 N -1.78 0.10 0.04 1.97 -7.23 -1.23 -0.67 120.40 111.59 2jcc s VAL 34 Ca 0.00 -0.79 -0.00 0.00 -1.81 0.00 0.00 61.98 59.38 2jcc s VAL 34 Cb 0.00 -0.92 -0.03 0.00 0.56 0.00 0.00 36.38 35.99 2jcc s VAL 34 CO 0.00 -0.43 -0.04 0.00 -0.31 0.00 0.00 175.10 174.32 2jcc s ARG 35 N -2.53 0.49 -0.01 4.82 1.70 -0.38 -1.66 118.95 121.37 2jcc s ARG 35 Ca -0.05 -0.92 0.00 0.00 -0.47 0.00 0.00 55.73 54.29 2jcc s ARG 35 Cb -0.01 0.09 0.01 0.00 -0.57 0.00 0.00 34.95 34.46 2jcc s ARG 35 CO -0.03 -0.06 0.00 0.12 -1.08 0.00 0.00 175.30 174.25 2jcc s PHE 36 N -2.59 0.07 -0.06 5.89 5.36 0.77 -0.89 117.98 126.52 2jcc s PHE 36 Ca -0.04 0.03 -0.01 0.00 -0.96 0.00 0.00 56.93 55.95 2jcc s PHE 36 Cb -0.02 -0.12 0.03 0.00 -0.34 0.00 0.00 43.02 42.57 2jcc s PHE 36 CO -0.05 -0.03 -0.01 0.34 -1.46 0.00 0.00 175.22 174.01 2jcc s ASP 37 N 0.36 1.31 0.65 6.13 2.15 -1.26 -0.61 116.67 125.41 2jcc s ASP 37 Ca -0.03 -0.09 0.40 0.00 0.43 0.00 0.00 52.55 53.26 2jcc s ASP 37 Cb -0.05 -0.42 2.22 0.00 -0.30 0.00 0.00 42.92 44.37 2jcc s ASP 37 CO -0.01 -0.15 2.29 0.77 -0.17 0.00 0.00 175.17 177.90 2jcc h SER 38 N 7.94 0.00 -0.03 -0.34 4.64 -1.33 -1.39 113.55 123.04 2jcc h SER 38 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2jcc h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2jcc h SER 38 CO 0.33 0.00 -0.02 0.47 -0.87 0.00 0.00 176.83 176.74 2jcc n ASP 39 N -3.20 2.83 -4.78 4.97 9.92 -1.26 -4.96 116.55 120.06 2jcc n ASP 39 Ca -0.03 -1.91 -0.32 0.00 -0.53 0.00 0.00 54.79 52.00 2jcc n ASP 39 Cb 0.12 0.02 0.06 0.00 -0.64 0.00 0.00 41.12 40.69 2jcc n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jcc s ALA 40 N -1.90 2.45 0.28 2.24 0.00 -0.53 -4.96 121.76 119.35 2jcc s ALA 40 Ca 0.26 0.35 0.14 0.00 0.00 0.00 0.00 51.96 52.71 2jcc s ALA 40 Cb 0.19 -3.27 0.57 0.00 0.00 0.00 0.00 23.12 20.61 2jcc s ALA 40 CO 0.29 -1.40 1.71 0.00 0.00 0.00 0.00 175.76 176.37 2jcc h ALA 41 N -0.48 1.10 0.01 0.00 0.00 -1.93 -3.33 119.26 114.63 2jcc h ALA 41 Ca -0.45 -0.43 -0.22 0.00 0.00 0.00 0.00 54.91 53.81 2jcc h ALA 41 Cb 1.23 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2jcc h ALA 41 CO 0.54 0.59 -1.05 0.66 0.00 0.00 0.00 179.25 179.99 2jcc h SER 42 N 0.00 0.04 -4.13 0.00 4.64 -1.92 -3.47 113.55 108.70 2jcc h SER 42 Ca -0.00 -0.05 -0.36 0.00 -0.47 0.00 0.00 61.79 60.91 2jcc h SER 42 Cb 0.90 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 2jcc h SER 42 CO 0.06 1.04 -0.50 0.00 -0.87 0.00 0.00 176.83 176.56 2jcc n GLN 43 N -3.36 -3.07 -4.28 4.77 1.13 -1.25 -4.98 117.38 106.34 2jcc n GLN 43 Ca -0.02 0.76 -0.16 0.00 -1.94 0.00 0.00 57.00 55.64 2jcc n GLN 43 Cb 0.95 -5.47 -0.10 0.00 0.11 0.00 0.00 30.24 25.73 2jcc n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2jcc s ARG 44 N -5.41 1.14 0.23 -1.09 0.52 -1.26 -5.02 118.95 108.05 2jcc s ARG 44 Ca 0.16 -1.47 -0.31 0.00 -0.52 0.00 0.00 55.73 53.60 2jcc s ARG 44 Cb -0.08 -0.80 -0.11 0.00 0.52 0.00 0.00 34.95 34.48 2jcc s ARG 44 CO 0.20 0.12 1.57 1.41 0.02 0.00 0.00 175.30 178.62 2jcc s MET 45 N -3.59 4.18 0.02 3.54 -2.45 -1.26 -4.69 119.30 115.05 2jcc s MET 45 Ca 0.18 2.45 0.06 0.00 -1.25 0.00 0.00 55.69 57.13 2jcc s MET 45 Cb 0.01 -3.09 -0.03 0.00 1.25 0.00 0.00 34.83 32.97 2jcc s MET 45 CO 0.03 -0.59 -0.18 -1.21 1.05 0.00 0.00 175.02 174.11 2jcc s GLU 46 N 0.30 2.16 0.44 4.11 2.02 -0.07 -4.95 118.70 122.72 2jcc s GLU 46 Ca 0.66 -0.92 -0.22 0.00 0.02 0.00 0.00 54.97 54.52 2jcc s GLU 46 Cb -0.45 -2.22 -0.09 0.00 0.10 0.00 0.00 34.13 31.47 2jcc s GLU 46 CO 0.39 0.56 1.02 -1.25 0.02 0.00 0.00 175.26 176.00 2jcc s PRO 47 N -1.24 4.02 0.00 0.39 0.04 -1.26 -1.25 135.00 135.70 2jcc s PRO 47 Ca 0.14 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.53 2jcc s PRO 47 Cb -0.10 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2jcc s PRO 47 CO 0.04 -0.24 0.32 0.54 0.04 0.00 0.00 177.00 177.70 2jcc n ARG 48 N -0.60 0.09 -4.24 4.56 5.12 0.15 -4.81 116.66 116.94 2jcc n ARG 48 Ca 0.07 -0.37 -0.17 0.00 -1.93 0.00 0.00 57.85 55.45 2jcc n ARG 48 Cb 0.52 -0.66 -0.14 0.00 -1.16 0.00 0.00 32.46 31.02 2jcc n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jcc s ALA 49 N -0.10 0.60 0.24 7.54 0.00 -1.23 -4.68 121.76 124.13 2jcc s ALA 49 Ca 0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 51.96 51.54 2jcc s ALA 49 Cb 0.00 -0.13 0.43 0.00 0.00 0.00 0.00 23.12 23.42 2jcc s ALA 49 CO 0.00 0.13 1.70 -1.35 0.00 0.00 0.00 175.76 176.24 2jcc h PRO 50 N 5.79 0.31 0.00 0.00 0.11 -1.94 -2.97 132.00 133.31 2jcc h PRO 50 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2jcc h PRO 50 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2jcc h PRO 50 CO 0.49 0.21 0.00 -2.67 -0.21 0.00 0.00 178.00 175.82 2jcc n TRP 51 N -5.10 0.42 0.97 0.65 4.27 -1.26 -1.81 117.44 115.58 2jcc n TRP 51 Ca 0.13 0.14 0.14 0.00 -3.89 0.00 0.00 57.50 54.02 2jcc n TRP 51 Cb 0.42 -0.72 0.60 0.00 -1.36 0.00 0.00 31.31 30.25 2jcc n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 2jcc n ILE 52 N -1.86 0.05 0.20 -1.67 0.13 -1.12 -3.82 119.36 111.28 2jcc n ILE 52 Ca 0.05 -0.03 0.07 0.00 -1.10 0.00 0.00 62.75 61.75 2jcc n ILE 52 Cb 0.32 -0.50 0.40 0.00 -0.84 0.00 0.00 39.64 39.01 2jcc n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 2jcc h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.49 -2.83 114.58 124.84 2jcc h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jcc h GLU 53 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2jcc h GLU 53 CO 0.00 0.31 0.00 0.00 -1.00 0.00 0.00 179.01 178.32 2jcc n GLN 54 N -3.51 0.12 -2.00 2.33 10.64 -1.25 -4.77 117.38 118.94 2jcc n GLN 54 Ca -0.00 0.18 -0.39 0.00 -1.83 0.00 0.00 57.00 54.96 2jcc n GLN 54 Cb 0.47 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.35 2jcc n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2jcc s GLU 55 N -2.77 3.90 0.97 2.61 0.41 -1.07 -5.03 118.70 117.71 2jcc s GLU 55 Ca 0.11 2.20 -0.16 0.00 -0.41 0.00 0.00 54.97 56.71 2jcc s GLU 55 Cb 0.10 -2.72 0.23 0.00 -1.78 0.00 0.00 34.13 29.96 2jcc s GLU 55 CO 0.26 -0.57 1.13 0.41 -0.49 0.00 0.00 175.26 176.00 2jcc n GLY 56 N 0.64 -1.94 0.19 -1.39 0.00 -1.26 -4.91 105.19 96.52 2jcc n GLY 56 Ca 0.04 -1.63 0.04 0.00 0.00 0.00 0.00 46.02 44.48 2jcc n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jcc h PRO 57 N 0.00 0.00 -0.61 1.61 0.11 -1.98 -2.78 132.00 128.35 2jcc h PRO 57 Ca -0.39 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 2jcc h PRO 57 Cb 1.10 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 2jcc h PRO 57 CO 0.26 0.38 0.15 0.93 -0.21 0.00 0.00 178.00 179.51 2jcc h GLU 58 N 0.00 0.95 -0.50 1.05 4.39 -2.00 -1.61 114.58 116.86 2jcc h GLU 58 Ca -0.00 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.43 2jcc h GLU 58 Cb 0.77 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 2jcc h GLU 58 CO 0.05 0.85 0.08 -0.92 -1.16 0.00 0.00 179.01 177.91 2jcc h TYR 59 N 0.91 0.88 -0.22 4.33 3.20 -1.85 -2.50 116.97 121.72 2jcc h TYR 59 Ca 0.20 -0.12 -0.12 0.00 3.14 0.00 0.00 58.73 61.82 2jcc h TYR 59 Cb 0.33 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 2jcc h TYR 59 CO 0.02 0.80 -0.35 -1.49 -1.64 0.00 0.00 178.16 175.50 2jcc h TRP 60 N 0.71 0.77 -0.18 -3.82 4.06 -1.34 -0.81 115.95 115.35 2jcc h TRP 60 Ca 0.15 -0.26 0.03 0.00 2.06 0.00 0.00 58.89 60.87 2jcc h TRP 60 Cb 0.39 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.37 2jcc h TRP 60 CO 0.03 1.01 -0.04 -0.44 -3.56 0.00 0.00 178.44 175.44 2jcc h ASP 61 N 0.31 -0.15 -0.10 -3.49 3.32 -1.38 -0.96 116.42 113.98 2jcc h ASP 61 Ca 0.02 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.14 2jcc h ASP 61 Cb 0.94 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 2jcc h ASP 61 CO 0.08 -0.05 -0.05 1.23 -1.72 0.00 0.00 179.24 178.73 2jcc h GLY 62 N 0.01 0.04 1.07 2.75 0.00 -1.35 -0.69 103.07 104.90 2jcc h GLY 62 Ca 0.09 0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.39 2jcc h GLY 62 CO -0.18 -0.06 0.05 0.83 0.00 0.00 0.00 176.54 177.18 2jcc h GLU 63 N -0.04 1.06 -0.23 4.80 4.39 -1.10 -1.19 114.58 122.27 2jcc h GLU 63 Ca 0.06 -0.31 0.02 0.00 0.34 0.00 0.00 59.36 59.46 2jcc h GLU 63 Cb 0.12 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2jcc h GLU 63 CO -0.12 1.01 0.09 1.15 -1.16 0.00 0.00 179.01 179.98 2jcc h THR 64 N 0.96 0.97 -0.37 1.13 2.02 -1.02 0.85 112.91 117.46 2jcc h THR 64 Ca 0.18 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.25 2jcc h THR 64 Cb 0.50 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2jcc h THR 64 CO 0.02 0.04 0.07 0.08 0.37 0.00 0.00 175.52 176.10 2jcc h ARG 65 N 0.21 0.60 -0.81 6.66 0.11 -0.92 -1.23 114.38 119.00 2jcc h ARG 65 Ca 0.10 -0.15 0.02 0.00 0.10 0.00 0.00 59.98 60.04 2jcc h ARG 65 Cb 0.05 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 31.01 2jcc h ARG 65 CO -0.08 0.65 0.53 0.87 0.10 0.00 0.00 179.97 182.04 2jcc h LYS 66 N 0.45 1.03 -0.21 0.08 1.57 -1.07 -2.13 116.57 116.29 2jcc h LYS 66 Ca 0.11 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 2jcc h LYS 66 Cb 0.33 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2jcc h LYS 66 CO 0.00 0.68 -0.44 -0.24 -0.57 0.00 0.00 179.45 178.89 2jcc h VAL 67 N 1.06 1.31 -0.16 0.50 3.04 -0.55 -0.64 116.25 120.80 2jcc h VAL 67 Ca 0.31 -1.62 -0.05 0.00 -1.01 0.00 0.00 66.70 64.33 2jcc h VAL 67 Cb -0.07 1.62 -0.01 0.00 -2.01 0.00 0.00 31.29 30.82 2jcc h VAL 67 CO -0.09 0.51 -0.12 0.11 -1.01 0.00 0.00 177.57 176.97 2jcc h LYS 68 N 0.42 0.26 0.05 4.17 1.57 -0.91 0.18 116.57 122.30 2jcc h LYS 68 Ca 0.03 -0.06 -0.24 0.00 -1.87 0.00 0.00 60.65 58.52 2jcc h LYS 68 Cb 0.94 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 2jcc h LYS 68 CO 0.08 0.39 -1.04 0.00 -0.57 0.00 0.00 179.45 178.31 2jcc h ALA 69 N 1.64 0.30 -0.46 3.86 0.00 -1.11 -1.18 119.26 122.31 2jcc h ALA 69 Ca 0.05 -0.78 0.01 0.00 0.00 0.00 0.00 54.91 54.19 2jcc h ALA 69 Cb 0.37 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2jcc h ALA 69 CO 0.02 0.91 0.29 0.45 0.00 0.00 0.00 179.25 180.93 2jcc h HIS 70 N 0.14 0.55 0.00 0.00 3.86 -0.52 -1.17 115.15 118.01 2jcc h HIS 70 Ca -0.09 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.17 2jcc h HIS 70 Cb 1.71 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 29.95 2jcc h HIS 70 CO 0.05 0.34 -0.34 1.03 0.86 0.00 0.00 177.93 179.87 2jcc h SER 71 N 0.59 -1.01 -0.82 2.45 0.87 -0.50 -1.89 113.55 113.24 2jcc h SER 71 Ca 0.17 0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.88 2jcc h SER 71 Cb -0.04 0.40 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 2jcc h SER 71 CO -0.05 -0.40 0.54 1.56 -0.53 0.00 0.00 176.83 177.95 2jcc h GLN 72 N -0.49 1.06 -0.38 2.24 1.08 -1.02 -0.83 115.11 116.76 2jcc h GLN 72 Ca 0.06 -0.06 0.07 0.00 -1.45 0.00 0.00 58.65 57.26 2jcc h GLN 72 Cb 0.58 -0.24 -0.06 0.00 -0.05 0.00 0.00 27.48 27.71 2jcc h GLN 72 CO -0.27 0.70 -0.01 1.15 -0.95 0.00 0.00 178.83 179.45 2jcc h THR 73 N 1.09 0.71 0.00 -0.54 2.02 -1.02 -2.12 112.91 113.04 2jcc h THR 73 Ca 0.31 -0.03 -0.10 0.00 0.77 0.00 0.00 66.41 67.35 2jcc h THR 73 Cb -0.09 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2jcc h THR 73 CO -0.08 0.02 -0.50 0.45 0.37 0.00 0.00 175.52 175.78 2jcc h HIS 74 N 0.10 0.00 -0.31 3.16 3.86 -0.64 0.26 115.15 121.57 2jcc h HIS 74 Ca 0.19 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.43 2jcc h HIS 74 Cb 0.27 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 2jcc h HIS 74 CO -0.27 0.50 0.13 -0.09 0.86 0.00 0.00 177.93 179.06 2jcc h ARG 75 N 0.00 0.27 -0.09 2.45 2.43 -1.02 -2.44 114.38 115.98 2jcc h ARG 75 Ca -0.00 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.97 2jcc h ARG 75 Cb 1.18 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 2jcc h ARG 75 CO 0.06 0.18 -0.69 0.28 -1.51 0.00 0.00 179.97 178.30 2jcc h VAL 76 N 0.28 1.37 -0.95 0.20 2.07 -0.74 -2.96 116.25 115.52 2jcc h VAL 76 Ca 0.14 -2.07 0.10 0.00 0.82 0.00 0.00 66.70 65.68 2jcc h VAL 76 Cb 0.08 2.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.82 2jcc h VAL 76 CO -0.12 0.63 0.59 0.44 0.02 0.00 0.00 177.57 179.13 2jcc h ASP 77 N 0.29 0.88 -0.25 0.57 3.32 -0.45 -1.27 116.42 119.50 2jcc h ASP 77 Ca -0.02 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.12 2jcc h ASP 77 Cb 1.25 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.62 2jcc h ASP 77 CO 0.12 0.50 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.02 2jcc h LEU 78 N 0.98 -0.21 -0.28 1.55 3.38 -1.26 -0.84 115.31 118.62 2jcc h LEU 78 Ca 0.45 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.52 2jcc h LEU 78 Cb 0.37 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2jcc h LEU 78 CO -0.24 -0.07 0.13 1.23 0.09 0.00 0.00 178.44 179.58 2jcc h GLY 79 N 0.01 0.37 0.64 0.83 0.00 -1.47 -2.10 103.07 101.34 2jcc h GLY 79 Ca 0.12 -0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.41 2jcc h GLY 79 CO -0.25 0.07 0.16 -0.84 0.00 0.00 0.00 176.54 175.68 2jcc h THR 80 N 0.28 0.88 -0.17 4.70 2.02 -0.80 -1.76 112.91 118.06 2jcc h THR 80 Ca 0.12 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 2jcc h THR 80 Cb 0.05 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2jcc h THR 80 CO -0.09 0.06 -0.07 -0.07 0.37 0.00 0.00 175.52 175.72 2jcc h LEU 81 N 0.33 0.36 -2.00 2.58 3.38 -1.08 -0.06 115.31 118.82 2jcc h LEU 81 Ca 0.20 -0.40 0.17 0.00 0.09 0.00 0.00 57.88 57.94 2jcc h LEU 81 Cb 0.18 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2jcc h LEU 81 CO -0.19 0.68 0.45 -0.09 0.09 0.00 0.00 178.44 179.38 2jcc h ARG 82 N 0.04 0.00 0.05 1.13 2.43 -1.29 -1.35 114.38 115.40 2jcc h ARG 82 Ca 0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2jcc h ARG 82 Cb 0.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2jcc h ARG 82 CO 0.02 0.00 -0.02 0.78 -1.51 0.00 0.00 179.97 179.24 2jcc h GLY 83 N 0.00 -0.07 0.00 2.80 0.00 -0.73 -1.50 103.07 103.57 2jcc h GLY 83 Ca 0.28 0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.74 2jcc h GLY 83 CO -0.00 -0.03 -0.14 -0.97 0.00 0.00 0.00 176.54 175.41 2jcc h TYR 84 N -0.80 -0.30 -0.24 5.60 0.05 -0.03 -2.67 116.97 118.58 2jcc h TYR 84 Ca -0.01 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.82 2jcc h TYR 84 Cb 0.65 0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.59 2jcc h TYR 84 CO 0.15 -0.22 0.00 0.66 -1.05 0.00 0.00 178.16 177.69 2jcc n TYR 85 N -5.36 0.31 -3.64 4.88 4.01 -0.60 -4.95 117.16 111.81 2jcc n TYR 85 Ca 0.04 -0.16 -0.22 0.00 -0.16 0.00 0.00 57.90 57.40 2jcc n TYR 85 Cb 0.27 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.35 2jcc n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2jcc n ASN 86 N 0.49 -2.94 -4.91 7.72 3.02 -1.01 -5.00 115.26 112.64 2jcc n ASN 86 Ca 0.16 -0.71 -0.31 0.00 -0.03 0.00 0.00 54.58 53.69 2jcc n ASN 86 Cb 0.35 -4.51 -0.04 0.00 -0.61 0.00 0.00 39.78 34.97 2jcc n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2jcc s GLN 87 N -5.97 3.57 0.69 3.52 -0.21 -0.57 -5.06 119.66 115.64 2jcc s GLN 87 Ca 0.22 -0.19 -0.12 0.00 0.02 0.00 0.00 55.36 55.29 2jcc s GLN 87 Cb -0.10 -2.89 0.17 0.00 1.00 0.00 0.00 33.01 31.18 2jcc s GLN 87 CO 0.78 0.49 0.78 -1.13 -2.12 0.00 0.00 175.29 174.10 2jcc n SER 88 N 0.07 -0.70 -0.00 5.90 3.41 -1.26 -4.75 113.62 116.29 2jcc n SER 88 Ca -0.03 -1.14 0.08 0.00 -0.26 0.00 0.00 58.87 57.52 2jcc n SER 88 Cb 0.52 -0.65 -0.11 0.00 -0.26 0.00 0.00 64.21 63.71 2jcc n SER 88 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jcc n GLU 89 N -3.16 1.06 0.17 4.33 4.71 -1.26 -4.44 120.64 122.05 2jcc n GLU 89 Ca 0.10 -0.04 0.13 0.00 -0.01 0.00 0.00 57.16 57.34 2jcc n GLU 89 Cb 0.37 -1.35 0.40 0.00 -1.01 0.00 0.00 31.44 29.86 2jcc n GLU 89 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jcc h ALA 90 N 2.25 1.00 -2.87 0.62 0.00 -1.98 -3.44 119.26 114.84 2jcc h ALA 90 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 2jcc h ALA 90 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 2jcc h ALA 90 CO 0.00 0.00 -0.53 0.20 0.00 0.00 0.00 179.25 178.92 2jcc s GLY 91 N -3.84 2.06 0.37 0.00 0.00 -1.26 -4.80 107.32 99.84 2jcc s GLY 91 Ca 0.07 -0.70 -0.26 0.00 0.00 0.00 0.00 44.72 43.83 2jcc s GLY 91 CO 0.57 -0.45 1.07 -0.45 0.00 0.00 0.00 173.10 173.84 2jcc s SER 92 N -1.00 6.87 0.03 1.64 0.15 -1.26 -4.89 113.70 115.24 2jcc s SER 92 Ca 0.15 2.13 -0.04 0.00 0.70 0.00 0.00 55.95 58.89 2jcc s SER 92 Cb -0.12 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.58 2jcc s SER 92 CO 0.04 -0.42 0.05 -1.00 1.20 0.00 0.00 173.24 173.11 2jcc s HIS 93 N -1.49 0.26 -0.07 3.44 3.76 -1.26 -4.95 115.29 114.97 2jcc s HIS 93 Ca 0.54 -0.59 0.03 0.00 -0.15 0.00 0.00 55.06 54.89 2jcc s HIS 93 Cb -0.26 -0.19 0.00 0.00 1.11 0.00 0.00 32.58 33.25 2jcc s HIS 93 CO 0.32 -0.33 -0.18 0.99 -0.85 0.00 0.00 174.74 174.70 2jcc s THR 94 N -2.54 1.58 -0.11 1.30 2.01 -1.26 -1.40 115.64 115.21 2jcc s THR 94 Ca -0.06 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 2jcc s THR 94 Cb -0.02 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 2jcc s THR 94 CO -0.04 0.45 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.56 2jcc s VAL 95 N 0.40 3.48 -0.01 3.82 1.01 -0.12 -0.38 120.40 128.60 2jcc s VAL 95 Ca -0.14 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.37 2jcc s VAL 95 Cb -0.16 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 2jcc s VAL 95 CO 0.06 0.54 -0.19 -1.10 0.00 0.00 0.00 175.10 174.41 2jcc s GLN 96 N -0.05 1.51 0.05 2.72 -0.21 -0.44 -0.93 119.66 122.32 2jcc s GLN 96 Ca -0.01 -0.68 0.04 0.00 0.02 0.00 0.00 55.36 54.73 2jcc s GLN 96 Cb -0.14 -1.47 -0.03 0.00 1.00 0.00 0.00 33.01 32.38 2jcc s GLN 96 CO 0.03 0.40 -0.11 0.50 -2.12 0.00 0.00 175.29 173.99 2jcc s ARG 97 N -0.47 0.69 -0.06 2.91 3.52 -0.41 -0.78 118.95 124.34 2jcc s ARG 97 Ca 0.07 -0.83 -0.05 0.00 -0.13 0.00 0.00 55.73 54.79 2jcc s ARG 97 Cb -0.07 -0.59 0.02 0.00 -1.56 0.00 0.00 34.95 32.75 2jcc s ARG 97 CO -0.01 0.13 0.16 1.41 -0.81 0.00 0.00 175.30 176.18 2jcc s MET 98 N -1.58 0.18 0.06 5.12 -2.45 -0.42 -0.68 119.30 119.53 2jcc s MET 98 Ca -0.05 0.26 -0.14 0.00 -1.25 0.00 0.00 55.69 54.51 2jcc s MET 98 Cb -0.10 0.04 0.02 0.00 1.25 0.00 0.00 34.83 36.05 2jcc s MET 98 CO 0.01 -0.05 0.30 1.52 1.05 0.00 0.00 175.02 177.86 2jcc s TYR 99 N 0.29 -0.09 -2.62 4.11 -0.85 -1.10 -1.32 117.35 115.78 2jcc s TYR 99 Ca -0.02 -0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.43 2jcc s TYR 99 Cb -0.03 0.10 0.00 0.00 0.38 0.00 0.00 41.96 42.41 2jcc s TYR 99 CO -0.01 -0.53 0.00 0.41 -1.52 0.00 0.00 175.55 173.89 2jcc n GLY 100 N 0.40 -1.77 3.35 5.49 0.00 -0.87 -1.84 105.19 109.95 2jcc n GLY 100 Ca -0.18 -1.12 -0.20 0.00 0.00 0.00 0.00 46.02 44.52 2jcc n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jcc s ASP 102 N -3.09 3.87 0.10 0.00 1.01 0.01 -0.82 116.67 117.75 2jcc s ASP 102 Ca 0.21 -0.51 0.08 0.00 0.71 0.00 0.00 52.55 53.03 2jcc s ASP 102 Cb -0.03 -0.57 -0.03 0.00 1.01 0.00 0.00 42.92 43.29 2jcc s ASP 102 CO 0.08 0.20 -0.19 0.68 0.21 0.00 0.00 175.17 176.15 2jcc s VAL 103 N -1.08 1.59 0.00 -1.27 -7.23 0.16 -1.11 120.40 111.46 2jcc s VAL 103 Ca 0.17 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 2jcc s VAL 103 Cb -0.11 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.35 2jcc s VAL 103 CO 0.09 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 2jcc n GLY 104 N 1.06 -1.95 0.17 2.32 0.00 -0.68 -1.38 105.19 104.73 2jcc n GLY 104 Ca -0.19 -1.49 0.05 0.00 0.00 0.00 0.00 46.02 44.38 2jcc n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jcc h SER 105 N -0.46 0.00 0.48 1.61 4.64 -1.91 -2.64 113.55 115.27 2jcc h SER 105 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jcc h SER 105 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jcc h SER 105 CO 0.00 0.41 0.00 -0.90 -0.87 0.00 0.00 176.83 175.47 2jcc n ASP 106 N -3.42 0.00 -1.05 4.97 5.75 -1.26 -4.82 116.55 116.72 2jcc n ASP 106 Ca 0.00 -0.05 -0.10 0.00 -0.01 0.00 0.00 54.79 54.64 2jcc n ASP 106 Cb 0.58 -0.29 -0.01 0.00 -1.03 0.00 0.00 41.12 40.36 2jcc n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2jcc n TRP 107 N -1.29 -0.38 -4.06 2.11 7.02 -0.99 -5.04 117.44 114.80 2jcc n TRP 107 Ca 0.12 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.30 2jcc n TRP 107 Cb 0.20 -2.30 -0.06 0.00 -2.42 0.00 0.00 31.31 26.73 2jcc n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2jcc s ARG 108 N -4.17 2.88 0.23 -0.99 0.52 -1.26 -4.85 118.95 111.31 2jcc s ARG 108 Ca 0.00 -0.75 -0.31 0.00 -0.52 0.00 0.00 55.73 54.14 2jcc s ARG 108 Cb 0.00 -2.70 -0.13 0.00 0.52 0.00 0.00 34.95 32.64 2jcc s ARG 108 CO 0.00 0.54 1.49 0.34 0.02 0.00 0.00 175.30 177.69 2jcc n PHE 109 N 0.21 2.35 -0.04 -0.53 7.35 -1.26 -1.69 117.46 123.84 2jcc n PHE 109 Ca -0.09 0.35 -0.07 0.00 -0.76 0.00 0.00 57.45 56.89 2jcc n PHE 109 Cb 0.53 -2.51 -0.03 0.00 0.35 0.00 0.00 39.48 37.81 2jcc n PHE 109 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2jcc n LEU 110 N 2.47 2.15 -3.60 -2.13 4.77 -0.27 -4.81 117.00 115.58 2jcc n LEU 110 Ca 0.12 0.01 -0.06 0.00 -0.03 0.00 0.00 56.01 56.05 2jcc n LEU 110 Cb 0.32 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 2jcc n LEU 110 CO 0.63 0.47 0.75 0.00 -1.33 0.00 0.00 177.39 177.91 2jcc s ARG 111 N -2.15 0.87 0.07 3.23 1.70 -1.22 -5.00 118.95 116.44 2jcc s ARG 111 Ca -0.11 -0.39 -0.08 0.00 -0.47 0.00 0.00 55.73 54.68 2jcc s ARG 111 Cb 0.03 0.35 -0.01 0.00 -0.57 0.00 0.00 34.95 34.76 2jcc s ARG 111 CO 0.17 -0.39 0.16 0.20 -1.08 0.00 0.00 175.30 174.36 2jcc s GLY 112 N -2.64 0.12 0.03 3.88 0.00 -1.26 -0.81 107.32 106.65 2jcc s GLY 112 Ca 0.08 -0.63 0.03 0.00 0.00 0.00 0.00 44.72 44.20 2jcc s GLY 112 CO -0.05 -0.80 -0.08 -0.19 0.00 0.00 0.00 173.10 171.98 2jcc s TYR 113 N -3.62 0.73 -0.29 1.90 1.51 0.23 -4.93 117.35 112.88 2jcc s TYR 113 Ca 0.03 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.71 2jcc s TYR 113 Cb 0.04 -0.44 0.19 0.00 -0.11 0.00 0.00 41.96 41.64 2jcc s TYR 113 CO -0.10 -0.04 0.59 -1.58 -1.11 0.00 0.00 175.55 173.31 2jcc s HIS 114 N -1.04 -1.65 0.07 2.71 2.46 -1.25 -2.05 115.29 114.54 2jcc s HIS 114 Ca -0.05 1.47 -0.12 0.00 0.47 0.00 0.00 55.06 56.83 2jcc s HIS 114 Cb -0.08 0.46 0.01 0.00 -0.13 0.00 0.00 32.58 32.84 2jcc s HIS 114 CO 0.01 -0.94 0.27 1.14 -2.47 0.00 0.00 174.74 172.75 2jcc s GLN 115 N 2.83 0.86 0.09 2.88 -2.07 -0.43 -0.23 119.66 123.59 2jcc s GLN 115 Ca 0.17 -0.71 0.04 0.00 -1.82 0.00 0.00 55.36 53.05 2jcc s GLN 115 Cb -0.13 0.36 -0.03 0.00 -1.09 0.00 0.00 33.01 32.12 2jcc s GLN 115 CO -0.23 -0.28 -0.12 0.71 -1.32 0.00 0.00 175.29 174.05 2jcc s TYR 116 N -3.23 1.11 0.07 9.60 1.51 -0.37 -1.30 117.35 124.74 2jcc s TYR 116 Ca -0.00 -0.56 0.05 0.00 -1.01 0.00 0.00 57.07 55.55 2jcc s TYR 116 Cb 0.02 -0.61 -0.03 0.00 -0.11 0.00 0.00 41.96 41.23 2jcc s TYR 116 CO -0.08 0.03 -0.15 0.00 -1.11 0.00 0.00 175.55 174.24 2jcc s ALA 117 N -1.91 1.24 -0.11 3.71 0.00 0.04 -1.35 121.76 123.38 2jcc s ALA 117 Ca 0.02 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.03 2jcc s ALA 117 Cb -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.92 2jcc s ALA 117 CO 0.01 0.20 -0.23 -0.47 0.00 0.00 0.00 175.76 175.27 2jcc s TYR 118 N -1.14 2.59 -1.26 0.00 5.04 -0.19 -1.33 117.35 121.06 2jcc s TYR 118 Ca -0.00 -1.14 -0.10 0.00 -2.44 0.00 0.00 57.07 53.39 2jcc s TYR 118 Cb -0.09 -1.74 0.08 0.00 0.35 0.00 0.00 41.96 40.55 2jcc s TYR 118 CO 0.02 -0.48 0.47 -0.25 -1.34 0.00 0.00 175.55 173.97 2jcc n ASP 119 N 3.70 -3.48 0.00 4.32 8.00 0.49 -1.79 116.55 127.79 2jcc n ASP 119 Ca -0.19 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 54.91 2jcc n ASP 119 Cb 0.53 -2.90 0.00 0.00 -0.02 0.00 0.00 41.12 38.73 2jcc n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jcc n GLY 120 N -1.14 2.71 3.86 0.44 0.00 -1.26 -5.02 105.19 104.79 2jcc n GLY 120 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2jcc n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jcc s LYS 121 N -0.67 3.36 0.25 1.61 1.02 -0.74 -5.03 119.74 119.54 2jcc s LYS 121 Ca 0.00 -0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.45 2jcc s LYS 121 Cb 0.00 -3.10 -0.14 0.00 -0.52 0.00 0.00 37.83 34.07 2jcc s LYS 121 CO 0.00 0.73 1.16 -0.25 -0.92 0.00 0.00 175.35 176.07 2jcc n ASP 122 N 1.65 1.71 0.00 2.83 8.00 -1.26 -1.02 116.55 128.46 2jcc n ASP 122 Ca -0.17 1.16 -0.03 0.00 0.71 0.00 0.00 54.79 56.46 2jcc n ASP 122 Cb 0.54 -1.31 -0.01 0.00 -0.02 0.00 0.00 41.12 40.32 2jcc n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jcc n TYR 123 N 0.96 0.00 -3.70 1.24 9.36 -0.46 -4.75 117.16 119.81 2jcc n TYR 123 Ca 0.11 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.20 2jcc n TYR 123 Cb 0.30 -0.14 -0.07 0.00 -0.63 0.00 0.00 39.34 38.80 2jcc n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2jcc s ILE 124 N -2.15 0.06 -0.09 2.97 2.07 -1.22 -3.15 121.20 119.68 2jcc s ILE 124 Ca -0.07 -0.49 -0.20 0.00 -1.41 0.00 0.00 60.65 58.49 2jcc s ILE 124 Cb 0.02 -0.86 0.04 0.00 0.13 0.00 0.00 42.46 41.79 2jcc s ILE 124 CO 0.09 -0.27 0.47 0.00 -1.91 0.00 0.00 174.94 173.33 2jcc s ALA 125 N -2.08 -1.20 0.23 1.50 0.00 -0.78 -1.23 121.76 118.20 2jcc s ALA 125 Ca -0.08 0.99 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 2jcc s ALA 125 Cb -0.02 -0.29 -0.10 0.00 0.00 0.00 0.00 23.12 22.72 2jcc s ALA 125 CO 0.00 -0.28 1.38 -1.17 0.00 0.00 0.00 175.76 175.69 2jcc s LEU 126 N -0.68 4.40 0.57 0.00 2.96 0.68 -0.88 118.68 125.73 2jcc s LEU 126 Ca -0.08 2.56 -0.07 0.00 -0.22 0.00 0.00 54.13 56.32 2jcc s LEU 126 Cb -0.03 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 2jcc s LEU 126 CO 0.04 -0.62 0.89 -0.54 -1.32 0.00 0.00 176.35 174.81 2jcc s LYS 127 N -0.32 3.19 0.38 1.98 1.02 -0.52 -4.74 119.74 120.72 2jcc s LYS 127 Ca 0.58 0.18 0.13 0.00 0.02 0.00 0.00 55.97 56.88 2jcc s LYS 127 Cb -0.40 -2.26 0.94 0.00 -0.52 0.00 0.00 37.83 35.59 2jcc s LYS 127 CO 0.41 -0.56 1.86 1.49 -0.92 0.00 0.00 175.35 177.64 2jcc h GLU 128 N -0.10 0.54 0.00 1.68 4.81 -1.91 0.55 114.58 120.15 2jcc h GLU 128 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2jcc h GLU 128 Cb 1.23 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2jcc h GLU 128 CO 0.61 0.36 0.00 -0.40 -0.73 0.00 0.00 179.01 178.85 2jcc n ASP 129 N -4.55 0.00 -1.81 1.04 5.68 -1.26 -4.90 116.55 110.76 2jcc n ASP 129 Ca 0.18 0.50 -0.19 0.00 -0.50 0.00 0.00 54.79 54.78 2jcc n ASP 129 Cb 0.57 -0.50 -0.05 0.00 -1.14 0.00 0.00 41.12 40.00 2jcc n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2jcc n LEU 130 N -1.50 -1.62 0.00 -2.12 4.77 0.19 -4.78 117.00 111.93 2jcc n LEU 130 Ca 0.03 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2jcc n LEU 130 Cb 0.14 -2.74 0.00 0.00 -2.33 0.00 0.00 43.42 38.49 2jcc n LEU 130 CO 0.11 -0.67 0.05 0.54 -1.33 0.00 0.00 177.39 176.09 2jcc n ARG 131 N -2.62 1.04 -4.32 3.23 1.74 -1.26 -4.77 116.66 109.69 2jcc n ARG 131 Ca -0.21 -0.10 -0.18 0.00 -0.77 0.00 0.00 57.85 56.60 2jcc n ARG 131 Cb 0.65 -0.45 -0.10 0.00 -1.02 0.00 0.00 32.46 31.55 2jcc n ARG 131 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2jcc s SER 132 N -0.18 2.38 0.08 0.55 0.01 -1.26 -4.96 113.70 110.33 2jcc s SER 132 Ca 0.00 -0.99 0.09 0.00 1.31 0.00 0.00 55.95 56.36 2jcc s SER 132 Cb 0.00 -0.11 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 2jcc s SER 132 CO 0.00 -0.19 -0.24 0.26 0.41 0.00 0.00 173.24 173.48 2jcc s TRP 133 N -2.91 2.39 -0.21 2.43 0.52 -1.26 -1.44 118.94 118.46 2jcc s TRP 133 Ca 0.20 -0.35 -0.04 0.00 0.02 0.00 0.00 56.10 55.92 2jcc s TRP 133 Cb -0.01 -1.35 -0.02 0.00 -1.15 0.00 0.00 33.47 30.94 2jcc s TRP 133 CO 0.05 0.26 -0.02 0.99 0.02 0.00 0.00 176.95 178.25 2jcc s THR 134 N -0.96 3.71 -0.17 2.01 2.01 -0.06 -4.92 115.64 117.27 2jcc s THR 134 Ca 0.14 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.76 2jcc s THR 134 Cb -0.10 -2.68 0.02 0.00 0.01 0.00 0.00 72.50 69.75 2jcc s THR 134 CO 0.05 0.43 -0.18 0.00 -0.69 0.00 0.00 174.62 174.23 2jcc s ALA 135 N 1.15 2.17 0.10 7.40 0.00 -1.26 -1.87 121.76 129.45 2jcc s ALA 135 Ca 0.02 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 50.92 2jcc s ALA 135 Cb -0.14 -1.13 -0.23 0.00 0.00 0.00 0.00 23.12 21.62 2jcc s ALA 135 CO 0.00 -0.34 1.21 0.00 0.00 0.00 0.00 175.76 176.63 2jcc h ALA 136 N 7.94 0.31 -4.80 0.00 0.00 -1.85 -3.47 119.26 117.40 2jcc h ALA 136 Ca -0.43 -0.94 -0.51 0.00 0.00 0.00 0.00 54.91 53.04 2jcc h ALA 136 Cb 1.14 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 2jcc h ALA 136 CO 0.60 1.20 -0.42 -0.40 0.00 0.00 0.00 179.25 180.24 2jcc n ASP 137 N -3.38 1.43 -0.08 0.00 5.75 -1.26 -5.06 116.55 113.96 2jcc n ASP 137 Ca -0.03 -2.95 -0.09 0.00 -0.01 0.00 0.00 54.79 51.71 2jcc n ASP 137 Cb 0.97 0.86 0.06 0.00 -1.03 0.00 0.00 41.12 41.97 2jcc n ASP 137 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 2jcc h MET 138 N 0.00 0.76 -0.56 0.11 2.86 -2.00 -2.91 114.93 113.20 2jcc h MET 138 Ca -0.29 -0.35 0.08 0.00 -2.06 0.00 0.00 59.70 57.07 2jcc h MET 138 Cb 1.09 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.68 2jcc h MET 138 CO 0.47 0.97 0.22 0.00 1.06 0.00 0.00 176.91 179.63 2jcc h ALA 139 N 1.00 0.71 0.00 6.32 0.00 -1.97 -1.92 119.26 123.40 2jcc h ALA 139 Ca 0.07 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2jcc h ALA 139 Cb 0.84 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2jcc h ALA 139 CO 0.07 -0.18 -0.14 0.00 0.00 0.00 0.00 179.25 179.01 2jcc h ALA 140 N 1.37 1.25 -0.14 0.00 0.00 -1.84 -2.03 119.26 117.87 2jcc h ALA 140 Ca 0.27 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2jcc h ALA 140 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2jcc h ALA 140 CO -0.26 0.17 -0.36 1.96 0.00 0.00 0.00 179.25 180.76 2jcc h GLN 141 N 0.00 0.29 -0.26 0.00 1.08 -1.16 -0.63 115.11 114.43 2jcc h GLN 141 Ca -0.00 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 2jcc h GLN 141 Cb 0.39 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2jcc h GLN 141 CO 0.02 0.62 0.12 1.15 -0.95 0.00 0.00 178.83 179.78 2jcc h THR 142 N 0.25 1.15 -0.67 -0.54 2.02 -1.20 -2.13 112.91 111.79 2jcc h THR 142 Ca 0.03 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 66.78 2jcc h THR 142 Cb 0.76 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 2jcc h THR 142 CO 0.06 0.16 0.42 0.74 0.37 0.00 0.00 175.52 177.27 2jcc h THR 143 N 0.28 1.10 -0.38 3.16 2.02 -1.42 -2.67 112.91 115.01 2jcc h THR 143 Ca 0.09 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 2jcc h THR 143 Cb 0.14 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 2jcc h THR 143 CO -0.01 0.15 0.15 0.50 0.37 0.00 0.00 175.52 176.68 2jcc h LYS 144 N 0.84 0.53 -0.14 6.66 3.64 -0.91 -2.07 116.57 125.11 2jcc h LYS 144 Ca 0.27 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.46 2jcc h LYS 144 Cb -0.00 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2jcc h LYS 144 CO -0.10 0.44 -0.37 0.45 -2.27 0.00 0.00 179.45 177.60 2jcc h HIS 145 N 0.53 0.64 -0.65 1.91 3.86 -1.16 -1.91 115.15 118.38 2jcc h HIS 145 Ca 0.13 -0.25 0.11 0.00 -1.16 0.00 0.00 60.37 59.20 2jcc h HIS 145 Cb 0.11 -0.11 -0.08 0.00 1.06 0.00 0.00 27.41 28.39 2jcc h HIS 145 CO 0.00 0.99 0.24 0.87 0.86 0.00 0.00 177.93 180.89 2jcc h LYS 146 N 0.11 0.39 -0.10 2.45 1.57 -1.21 -2.22 116.57 117.56 2jcc h LYS 146 Ca -0.01 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.54 2jcc h LYS 146 Cb 0.99 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2jcc h LYS 146 CO 0.08 0.26 -0.78 -1.49 -0.57 0.00 0.00 179.45 176.96 2jcc h TRP 147 N 0.41 0.78 -0.44 -1.35 4.06 -1.36 -2.58 115.95 115.46 2jcc h TRP 147 Ca 0.34 -0.35 -0.08 0.00 2.06 0.00 0.00 58.89 60.85 2jcc h TRP 147 Cb 0.45 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.47 2jcc h TRP 147 CO -0.18 1.15 -0.06 0.93 -3.56 0.00 0.00 178.44 176.72 2jcc h GLU 148 N 0.38 0.74 -0.20 0.49 5.08 -1.19 -0.52 114.58 119.36 2jcc h GLU 148 Ca -0.05 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.00 2jcc h GLU 148 Cb 1.38 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2jcc h GLU 148 CO 0.14 0.80 -0.29 0.00 -1.00 0.00 0.00 179.01 178.66 2jcc h ALA 149 N 1.25 1.13 -0.65 3.43 0.00 -1.31 -2.86 119.26 120.25 2jcc h ALA 149 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2jcc h ALA 149 Cb 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jcc h ALA 149 CO 0.03 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.83 2jcc n ALA 150 N -2.48 2.45 -3.88 0.00 0.00 -0.98 -4.98 120.51 110.63 2jcc n ALA 150 Ca -0.01 -1.17 -0.26 0.00 0.00 0.00 0.00 53.44 52.01 2jcc n ALA 150 Cb 0.42 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 2jcc n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2jcc n HIS 151 N 1.39 -1.71 -0.08 0.00 -0.00 -0.29 -4.92 115.22 109.60 2jcc n HIS 151 Ca 0.22 0.72 -0.13 0.00 -0.00 0.00 0.00 57.72 58.53 2jcc n HIS 151 Cb 0.57 -3.80 -0.05 0.00 -0.00 0.00 0.00 29.99 26.71 2jcc n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2jcc h VAL 152 N -1.85 1.32 -0.64 1.59 2.07 -1.61 -2.91 116.25 114.22 2jcc h VAL 152 Ca -0.63 -1.42 0.11 0.00 0.82 0.00 0.00 66.70 65.58 2jcc h VAL 152 Cb 1.37 1.68 -0.08 0.00 -1.52 0.00 0.00 31.29 32.74 2jcc h VAL 152 CO 0.60 0.44 0.21 0.00 0.02 0.00 0.00 177.57 178.84 2jcc h ALA 153 N 0.67 0.82 -0.18 1.67 0.00 -1.91 0.46 119.26 120.78 2jcc h ALA 153 Ca 0.04 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2jcc h ALA 153 Cb 0.81 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2jcc h ALA 153 CO 0.06 -0.23 -0.13 1.49 0.00 0.00 0.00 179.25 180.44 2jcc h GLU 154 N 0.37 0.30 0.07 0.00 4.81 -1.86 0.12 114.58 118.38 2jcc h GLU 154 Ca 0.33 -0.07 -0.24 0.00 -0.13 0.00 0.00 59.36 59.25 2jcc h GLU 154 Cb 0.46 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2jcc h GLU 154 CO -0.36 0.43 -1.11 1.96 -0.73 0.00 0.00 179.01 179.20 2jcc h GLN 155 N 0.28 0.18 -0.26 1.92 4.20 -1.03 -3.01 115.11 117.39 2jcc h GLN 155 Ca 0.06 -0.29 -0.07 0.00 0.06 0.00 0.00 58.65 58.40 2jcc h GLN 155 Cb 0.40 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2jcc h GLN 155 CO 0.02 1.11 -0.13 1.25 -0.67 0.00 0.00 178.83 180.42 2jcc h LEU 156 N 0.06 0.56 -0.77 1.46 6.46 0.32 -2.67 115.31 120.73 2jcc h LEU 156 Ca -0.08 -0.41 0.09 0.00 -0.12 0.00 0.00 57.88 57.35 2jcc h LEU 156 Cb 1.84 -0.15 -0.07 0.00 -0.73 0.00 0.00 40.66 41.54 2jcc h LEU 156 CO 0.17 0.85 0.43 -0.09 -0.62 0.00 0.00 178.44 179.18 2jcc h ARG 157 N 0.27 0.72 -0.78 1.25 2.43 -0.83 0.25 114.38 117.69 2jcc h ARG 157 Ca 0.06 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.28 2jcc h ARG 157 Cb 0.64 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.95 2jcc h ARG 157 CO 0.04 0.48 0.42 0.00 -1.51 0.00 0.00 179.97 179.39 2jcc h ALA 158 N 1.43 1.10 -0.00 2.80 0.00 -1.37 -0.58 119.26 122.64 2jcc h ALA 158 Ca 0.37 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 2jcc h ALA 158 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jcc h ALA 158 CO -0.24 0.02 -0.01 -0.92 0.00 0.00 0.00 179.25 178.10 2jcc h TYR 159 N 0.70 0.02 -0.74 0.00 3.20 -0.74 -3.00 116.97 116.42 2jcc h TYR 159 Ca 0.38 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.22 2jcc h TYR 159 Cb 0.39 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 2jcc h TYR 159 CO -0.08 0.64 0.38 -0.07 -1.64 0.00 0.00 178.16 177.39 2jcc h LEU 160 N -0.60 0.93 -1.61 2.82 3.38 -0.37 0.86 115.31 120.72 2jcc h LEU 160 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2jcc h LEU 160 Cb 0.64 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2jcc h LEU 160 CO 0.00 0.77 0.00 -0.62 0.09 0.00 0.00 178.44 178.68 2jcc n GLU 161 N -4.34 2.07 0.00 1.13 1.02 -0.24 -3.80 120.64 116.47 2jcc n GLU 161 Ca 0.07 -1.59 0.00 0.00 -0.02 0.00 0.00 57.16 55.62 2jcc n GLU 161 Cb 0.11 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2jcc n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jcc n GLY 162 N 1.29 -0.08 0.07 0.62 0.00 -1.04 -4.83 105.19 101.22 2jcc n GLY 162 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 2jcc n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2jcc h THR 163 N 0.00 1.19 -0.13 2.61 2.02 -1.13 -1.14 112.91 116.32 2jcc h THR 163 Ca 0.00 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2jcc h THR 163 Cb 0.00 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2jcc h THR 163 CO 0.00 0.17 0.08 0.00 0.37 0.00 0.00 175.52 176.14 2jcc h VAL 165 N 0.17 1.20 -0.79 0.00 2.07 -1.65 -1.62 116.25 115.64 2jcc h VAL 165 Ca 0.05 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 2jcc h VAL 165 Cb -0.01 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2jcc h VAL 165 CO -0.02 0.21 0.41 -0.08 0.02 0.00 0.00 177.57 178.12 2jcc h GLU 166 N 0.28 1.12 -0.33 1.57 4.81 -1.14 -1.79 114.58 119.10 2jcc h GLU 166 Ca 0.09 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 2jcc h GLU 166 Cb 0.24 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2jcc h GLU 166 CO -0.00 0.84 -0.13 0.00 -0.73 0.00 0.00 179.01 178.99 2jcc h ALA 167 N 1.22 0.46 -0.37 2.92 0.00 -1.21 -2.24 119.26 120.02 2jcc h ALA 167 Ca 0.28 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2jcc h ALA 167 Cb 0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2jcc h ALA 167 CO -0.04 0.34 0.08 1.25 0.00 0.00 0.00 179.25 180.88 2jcc h LEU 168 N 0.43 0.03 -0.33 0.00 5.85 -1.04 0.11 115.31 120.36 2jcc h LEU 168 Ca 0.08 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2jcc h LEU 168 Cb 0.64 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 2jcc h LEU 168 CO 0.04 0.05 0.22 0.03 -0.34 0.00 0.00 178.44 178.44 2jcc h ARG 169 N 0.21 0.44 -0.87 1.25 3.08 -1.32 0.85 114.38 118.02 2jcc h ARG 169 Ca 0.18 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.32 2jcc h ARG 169 Cb 0.20 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.07 2jcc h ARG 169 CO -0.23 0.30 0.49 -0.09 -1.07 0.00 0.00 179.97 179.38 2jcc h ARG 170 N 0.44 0.75 -0.07 0.04 2.43 -0.79 -1.75 114.38 115.42 2jcc h ARG 170 Ca 0.12 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2jcc h ARG 170 Cb -0.04 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 2jcc h ARG 170 CO -0.03 0.49 -0.17 1.88 -1.51 0.00 0.00 179.97 180.64 2jcc h TYR 171 N 0.77 0.30 -0.83 2.20 0.05 -0.33 -2.78 116.97 116.35 2jcc h TYR 171 Ca 0.44 -0.12 0.23 0.00 0.05 0.00 0.00 58.73 59.34 2jcc h TYR 171 Cb 0.49 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.14 2jcc h TYR 171 CO -0.06 0.78 0.59 -0.07 -1.05 0.00 0.00 178.16 178.35 2jcc h LEU 172 N -0.26 0.07 0.00 3.88 3.38 -0.51 0.74 115.31 122.61 2jcc h LEU 172 Ca -0.00 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 2jcc h LEU 172 Cb 0.77 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2jcc h LEU 172 CO 0.04 0.03 -1.54 1.21 0.09 0.00 0.00 178.44 178.27 2jcc n GLU 173 N -4.33 0.63 0.06 1.13 4.07 -0.69 -2.96 120.64 118.55 2jcc n GLU 173 Ca 0.17 0.15 -0.15 0.00 -0.06 0.00 0.00 57.16 57.27 2jcc n GLU 173 Cb 0.85 -1.75 -0.14 0.00 -0.06 0.00 0.00 31.44 30.34 2jcc n GLU 173 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 2jcc h ASN 174 N 0.00 0.32 -0.87 4.31 2.35 -1.10 -3.30 115.58 117.28 2jcc h ASN 174 Ca -0.17 -0.44 -0.44 0.00 -0.55 0.00 0.00 56.30 54.69 2jcc h ASN 174 Cb 1.54 -0.10 -0.27 0.00 0.05 0.00 0.00 38.32 39.54 2jcc h ASN 174 CO 0.04 1.36 0.56 0.61 -1.65 0.00 0.00 177.43 178.35 2jcc n GLY 175 N 1.62 4.17 0.24 2.83 0.00 0.19 -4.70 105.19 109.54 2jcc n GLY 175 Ca -0.14 -0.96 0.02 0.00 0.00 0.00 0.00 46.02 44.93 2jcc n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jcc h LYS 176 N 0.98 0.29 -0.02 1.61 3.64 -1.62 0.56 116.57 122.00 2jcc h LYS 176 Ca 0.55 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.92 2jcc h LYS 176 Cb 2.64 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 34.39 2jcc h LYS 176 CO 0.96 0.19 0.09 1.05 -2.27 0.00 0.00 179.45 179.47 2jcc h GLU 177 N 0.29 0.00 0.00 1.90 9.09 -1.89 -2.26 114.58 121.72 2jcc h GLU 177 Ca 0.34 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.59 2jcc h GLU 177 Cb 0.50 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.58 2jcc h GLU 177 CO -0.41 0.00 -1.54 2.41 0.05 0.00 0.00 179.01 179.53 2jcc n THR 178 N -3.24 0.53 0.10 -1.06 -1.04 -0.04 -4.67 114.28 104.85 2jcc n THR 178 Ca -0.02 -0.15 0.03 0.00 -2.04 0.00 0.00 64.05 61.87 2jcc n THR 178 Cb 0.16 -1.49 -0.01 0.00 -1.82 0.00 0.00 70.33 67.17 2jcc n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2jcc h LEU 179 N -0.29 0.00 -3.22 -4.42 3.38 -0.02 -3.28 115.31 107.46 2jcc h LEU 179 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2jcc h LEU 179 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2jcc h LEU 179 CO -0.13 0.44 0.00 0.00 0.09 0.00 0.00 178.44 178.84 2jcc n GLN 180 N -3.01 3.81 -2.55 1.13 6.02 -0.85 -4.97 117.38 116.95 2jcc n GLN 180 Ca -0.03 -2.88 -0.25 0.00 -0.01 0.00 0.00 57.00 53.83 2jcc n GLN 180 Cb 0.74 -1.92 0.03 0.00 1.02 0.00 0.00 30.24 30.12 2jcc n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2jcc s ARG 181 N -2.08 2.85 -0.06 -1.09 1.70 -1.24 -5.02 118.95 114.02 2jcc s ARG 181 Ca 0.49 -0.23 -0.02 0.00 -0.47 0.00 0.00 55.73 55.50 2jcc s ARG 181 Cb 0.33 -2.36 0.03 0.00 -0.57 0.00 0.00 34.95 32.39 2jcc s ARG 181 CO 0.21 -0.64 0.07 0.99 -1.08 0.00 0.00 175.30 174.85 2jcc s THR 182 N -2.88 -0.12 -0.25 4.99 2.01 -1.26 -4.74 115.64 113.39 2jcc s THR 182 Ca 0.53 0.35 -0.00 0.00 0.31 0.00 0.00 61.69 62.88 2jcc s THR 182 Cb -0.10 -0.21 0.04 0.00 0.01 0.00 0.00 72.50 72.23 2jcc s THR 182 CO 0.43 0.12 -0.07 -1.81 -0.69 0.00 0.00 174.62 172.60 2jcc s ASP 183 N 2.17 4.35 0.39 3.53 1.01 -0.72 -4.97 116.67 122.44 2jcc s ASP 183 Ca 0.05 -1.04 -0.25 0.00 0.71 0.00 0.00 52.55 52.02 2jcc s ASP 183 Cb -0.12 -1.63 -0.09 0.00 1.01 0.00 0.00 42.92 42.09 2jcc s ASP 183 CO -0.04 -0.16 1.13 0.00 0.21 0.00 0.00 175.17 176.32 2jcc s ALA 184 N 1.26 3.15 0.33 5.23 0.00 -1.26 -1.51 121.76 128.96 2jcc s ALA 184 Ca -0.02 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 52.54 2jcc s ALA 184 Cb -0.18 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 2jcc s ALA 184 CO -0.05 -0.42 1.44 -1.25 0.00 0.00 0.00 175.76 175.48 2jcc s PRO 185 N -2.30 4.21 -0.23 0.00 0.04 -1.26 -4.52 135.00 130.93 2jcc s PRO 185 Ca 0.57 2.43 -0.17 0.00 0.04 0.00 0.00 61.00 63.86 2jcc s PRO 185 Cb -0.28 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 2jcc s PRO 185 CO 0.36 -0.43 0.47 0.15 0.04 0.00 0.00 177.00 177.59 2jcc s LYS 186 N -1.50 4.12 0.03 4.56 1.02 0.00 -4.86 119.74 123.12 2jcc s LYS 186 Ca 0.54 0.29 0.08 0.00 0.02 0.00 0.00 55.97 56.90 2jcc s LYS 186 Cb -0.44 -3.60 -0.03 0.00 -0.52 0.00 0.00 37.83 33.24 2jcc s LYS 186 CO 0.55 -0.21 -0.24 0.95 -0.92 0.00 0.00 175.35 175.47 2jcc s THR 187 N 1.85 1.96 0.28 2.17 -4.23 -1.26 -1.22 115.64 115.19 2jcc s THR 187 Ca 0.21 -1.27 -0.21 0.00 -1.18 0.00 0.00 61.69 59.24 2jcc s THR 187 Cb -0.15 -1.67 0.02 0.00 1.34 0.00 0.00 72.50 72.03 2jcc s THR 187 CO 0.09 0.35 0.73 -1.38 -0.54 0.00 0.00 174.62 173.87 2jcc s HIS 188 N -0.76 -0.19 0.04 3.99 -3.43 -1.09 -5.01 115.29 108.85 2jcc s HIS 188 Ca 0.10 -0.26 0.08 0.00 -0.80 0.00 0.00 55.06 54.17 2jcc s HIS 188 Cb -0.09 0.71 -0.03 0.00 -1.43 0.00 0.00 32.58 31.74 2jcc s HIS 188 CO 0.01 -1.23 -0.22 1.41 -2.00 0.00 0.00 174.74 172.71 2jcc s MET 189 N -3.90 1.51 0.03 -0.38 1.75 -1.26 -0.83 119.30 116.22 2jcc s MET 189 Ca 0.11 -0.98 0.07 0.00 -1.25 0.00 0.00 55.69 53.64 2jcc s MET 189 Cb -0.06 -1.63 -0.02 0.00 2.84 0.00 0.00 34.83 35.96 2jcc s MET 189 CO 0.07 0.42 -0.19 0.95 -0.65 0.00 0.00 175.02 175.61 2jcc s THR 190 N -0.79 1.55 -0.05 10.11 -4.23 -0.75 -4.99 115.64 116.49 2jcc s THR 190 Ca 0.09 -1.08 0.04 0.00 -1.18 0.00 0.00 61.69 59.56 2jcc s THR 190 Cb -0.09 -1.34 -0.03 0.00 1.34 0.00 0.00 72.50 72.38 2jcc s THR 190 CO 0.02 0.23 -0.15 -2.28 -0.54 0.00 0.00 174.62 171.90 2jcc s HIS 191 N -0.72 2.69 -0.03 3.99 2.46 -1.26 -1.42 115.29 121.01 2jcc s HIS 191 Ca 0.07 -0.18 -0.01 0.00 0.47 0.00 0.00 55.06 55.41 2jcc s HIS 191 Cb -0.08 -1.63 0.03 0.00 -0.13 0.00 0.00 32.58 30.77 2jcc s HIS 191 CO 0.01 0.17 0.05 -1.01 -2.47 0.00 0.00 174.74 171.49 2jcc s HIS 192 N -0.70 0.00 -0.64 3.88 3.76 -0.52 -5.03 115.29 116.04 2jcc s HIS 192 Ca 0.11 0.19 -0.18 0.00 -0.15 0.00 0.00 55.06 55.03 2jcc s HIS 192 Cb -0.11 -0.23 0.12 0.00 1.11 0.00 0.00 32.58 33.47 2jcc s HIS 192 CO 0.01 -0.11 0.72 0.00 -0.85 0.00 0.00 174.74 174.50 2jcc s ALA 193 N 1.18 3.52 0.13 -1.40 0.00 -1.26 -0.34 121.76 123.59 2jcc s ALA 193 Ca -0.08 -2.45 -0.19 0.00 0.00 0.00 0.00 51.96 49.24 2jcc s ALA 193 Cb -0.13 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.43 2jcc s ALA 193 CO -0.03 -2.35 1.75 -0.39 0.00 0.00 0.00 175.76 174.74 2jcc h VAL 194 N 5.78 0.95 -2.17 0.00 -1.51 -1.91 -3.48 116.25 113.92 2jcc h VAL 194 Ca -0.21 -0.07 -0.01 0.00 -1.23 0.00 0.00 66.70 65.18 2jcc h VAL 194 Cb 1.08 0.73 -0.00 0.00 -2.13 0.00 0.00 31.29 30.97 2jcc h VAL 194 CO 1.05 0.04 0.02 -1.54 -1.23 0.00 0.00 177.57 175.91 2jcc n SER 195 N -5.02 -0.29 0.17 4.19 3.41 -1.19 -5.03 113.62 109.87 2jcc n SER 195 Ca -0.02 -1.23 0.12 0.00 -0.26 0.00 0.00 58.87 57.48 2jcc n SER 195 Cb 0.08 0.49 0.63 0.00 -0.26 0.00 0.00 64.21 65.15 2jcc n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2jcc h ASP 196 N 0.27 0.00 0.00 4.04 5.19 -2.04 -3.01 116.42 120.88 2jcc h ASP 196 Ca -0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2jcc h ASP 196 Cb 0.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 2jcc h ASP 196 CO 0.06 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.18 2jcc n HIS 197 N -2.32 0.00 -4.13 4.55 1.44 -1.26 -4.85 115.22 108.65 2jcc n HIS 197 Ca -0.01 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.61 2jcc n HIS 197 Cb 0.05 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.06 2jcc n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2jcc s GLU 198 N -0.07 0.72 -0.29 -1.40 2.02 -1.14 -0.57 118.70 117.97 2jcc s GLU 198 Ca 0.00 -1.28 -0.15 0.00 0.02 0.00 0.00 54.97 53.57 2jcc s GLU 198 Cb 0.00 0.04 0.11 0.00 0.10 0.00 0.00 34.13 34.38 2jcc s GLU 198 CO 0.00 -0.08 0.77 0.00 0.02 0.00 0.00 175.26 175.97 2jcc s ALA 199 N -3.81 -2.07 -0.01 5.21 0.00 0.19 -3.05 121.76 118.24 2jcc s ALA 199 Ca 0.10 2.34 -0.28 0.00 0.00 0.00 0.00 51.96 54.12 2jcc s ALA 199 Cb 0.07 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 2jcc s ALA 199 CO -0.07 -0.54 0.88 0.99 0.00 0.00 0.00 175.76 177.02 2jcc s THR 200 N 1.91 4.88 -0.13 0.00 2.01 0.54 -0.21 115.64 124.63 2jcc s THR 200 Ca -0.08 1.84 -0.01 0.00 0.31 0.00 0.00 61.69 63.74 2jcc s THR 200 Cb -0.06 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 2jcc s THR 200 CO -0.19 0.22 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.11 2jcc s LEU 201 N 0.76 2.96 -0.11 4.42 1.43 -0.86 -1.44 118.68 125.84 2jcc s LEU 201 Ca 0.46 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 2jcc s LEU 201 Cb -0.20 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 2jcc s LEU 201 CO 0.25 0.18 -0.18 -0.60 0.23 0.00 0.00 176.35 176.23 2jcc s ARG 202 N 0.25 3.19 -0.40 1.70 3.52 -0.51 -1.83 118.95 124.88 2jcc s ARG 202 Ca -0.06 -0.77 -0.13 0.00 -0.13 0.00 0.00 55.73 54.63 2jcc s ARG 202 Cb -0.15 -2.47 0.03 0.00 -1.56 0.00 0.00 34.95 30.80 2jcc s ARG 202 CO 0.04 0.22 0.27 0.00 -0.81 0.00 0.00 175.30 175.02 2jcc s TRP 204 N 1.60 3.64 -0.10 0.00 0.52 -0.01 -2.05 118.94 122.55 2jcc s TRP 204 Ca 0.03 0.96 -0.00 0.00 0.02 0.00 0.00 56.10 57.11 2jcc s TRP 204 Cb -0.20 -2.41 0.02 0.00 -1.15 0.00 0.00 33.47 29.73 2jcc s TRP 204 CO 0.08 0.43 -0.07 0.00 0.02 0.00 0.00 176.95 177.41 2jcc s ALA 205 N -0.34 1.22 0.06 0.98 0.00 0.21 -2.67 121.76 121.22 2jcc s ALA 205 Ca 0.25 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.76 2jcc s ALA 205 Cb -0.16 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2jcc s ALA 205 CO 0.12 -0.31 -0.06 -0.51 0.00 0.00 0.00 175.76 175.00 2jcc s LEU 206 N 1.52 2.41 -1.28 0.00 1.43 -0.36 -0.28 118.68 122.12 2jcc s LEU 206 Ca 0.01 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 2jcc s LEU 206 Cb -0.13 -0.01 0.00 0.00 0.03 0.00 0.00 46.19 46.08 2jcc s LEU 206 CO -0.06 -0.41 0.00 -0.24 0.23 0.00 0.00 176.35 175.87 2jcc n SER 207 N 0.58 -4.38 -4.95 2.29 2.88 -0.96 -0.82 113.62 108.27 2jcc n SER 207 Ca -0.17 0.16 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 2jcc n SER 207 Cb 0.59 -3.73 -0.03 0.00 -0.75 0.00 0.00 64.21 60.29 2jcc n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2jcc s PHE 208 N -2.68 3.48 -0.22 0.66 -0.12 -1.02 -4.67 117.98 113.40 2jcc s PHE 208 Ca 0.00 0.13 -0.17 0.00 -0.05 0.00 0.00 56.93 56.83 2jcc s PHE 208 Cb 0.00 -1.68 0.06 0.00 -0.63 0.00 0.00 43.02 40.77 2jcc s PHE 208 CO 0.00 0.45 0.58 -0.47 -0.05 0.00 0.00 175.22 175.72 2jcc s TYR 209 N -1.87 -0.73 0.80 3.49 6.14 -0.57 0.66 117.35 125.28 2jcc s TYR 209 Ca 0.35 1.64 -0.14 0.00 0.64 0.00 0.00 57.07 59.57 2jcc s TYR 209 Cb -0.10 0.32 0.19 0.00 0.42 0.00 0.00 41.96 42.79 2jcc s TYR 209 CO 0.29 -0.36 0.94 -2.30 0.64 0.00 0.00 175.55 174.76 2jcc n PRO 210 N 3.37 -1.55 0.25 4.97 -0.02 -1.26 -1.75 135.00 139.02 2jcc n PRO 210 Ca -0.17 -1.46 0.09 0.00 -2.02 0.00 0.00 63.50 59.94 2jcc n PRO 210 Cb 0.56 -1.10 0.65 0.00 -0.02 0.00 0.00 33.50 33.59 2jcc n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jcc h ALA 211 N -2.09 1.63 -2.56 3.55 0.00 -1.96 -3.44 119.26 114.38 2jcc h ALA 211 Ca -0.32 -0.10 -0.53 0.00 0.00 0.00 0.00 54.91 53.97 2jcc h ALA 211 Cb 0.91 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.72 2jcc h ALA 211 CO 0.22 0.13 0.92 -2.00 0.00 0.00 0.00 179.25 178.52 2jcc s GLU 212 N -4.62 4.21 0.08 0.00 2.12 -1.26 -4.97 118.70 114.26 2jcc s GLU 212 Ca -0.04 2.36 -0.25 0.00 0.36 0.00 0.00 54.97 57.40 2jcc s GLU 212 Cb 0.15 -3.28 0.06 0.00 0.26 0.00 0.00 34.13 31.33 2jcc s GLU 212 CO 0.64 -0.65 0.59 -1.50 -0.54 0.00 0.00 175.26 173.81 2jcc s ILE 213 N 1.56 0.01 -0.09 -3.70 2.07 -1.26 -4.70 121.20 115.08 2jcc s ILE 213 Ca 0.71 -0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.87 2jcc s ILE 213 Cb -0.43 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.18 2jcc s ILE 213 CO 0.32 -0.05 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.34 2jcc s THR 214 N -2.81 0.94 -0.22 4.00 2.01 -0.28 -4.97 115.64 114.31 2jcc s THR 214 Ca -0.03 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.71 2jcc s THR 214 Cb -0.01 -0.95 0.05 0.00 0.01 0.00 0.00 72.50 71.60 2jcc s THR 214 CO -0.05 0.34 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.34 2jcc s LEU 215 N 1.45 2.76 0.02 4.42 1.43 -1.26 -0.75 118.68 126.74 2jcc s LEU 215 Ca -0.01 -1.07 0.06 0.00 -1.03 0.00 0.00 54.13 52.09 2jcc s LEU 215 Cb -0.13 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 2jcc s LEU 215 CO -0.05 -0.14 -0.19 0.42 0.23 0.00 0.00 176.35 176.62 2jcc s THR 216 N 1.25 1.51 -0.04 5.49 -4.23 -0.93 -4.96 115.64 113.74 2jcc s THR 216 Ca -0.03 -1.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.44 2jcc s THR 216 Cb -0.17 -1.30 -0.04 0.00 1.34 0.00 0.00 72.50 72.33 2jcc s THR 216 CO -0.08 0.27 0.15 0.26 -0.54 0.00 0.00 174.62 174.68 2jcc s TRP 217 N -0.65 3.50 0.03 3.99 0.52 -1.26 -0.64 118.94 124.43 2jcc s TRP 217 Ca 0.07 0.36 0.06 0.00 0.02 0.00 0.00 56.10 56.60 2jcc s TRP 217 Cb -0.08 -1.83 -0.02 0.00 -1.15 0.00 0.00 33.47 30.38 2jcc s TRP 217 CO 0.01 0.64 -0.17 -0.65 0.02 0.00 0.00 176.95 176.80 2jcc s GLN 218 N -1.66 1.14 -0.24 4.98 -0.21 0.74 -1.11 119.66 123.30 2jcc s GLN 218 Ca 0.23 -0.80 0.02 0.00 0.02 0.00 0.00 55.36 54.82 2jcc s GLN 218 Cb -0.12 -1.19 0.06 0.00 1.00 0.00 0.00 33.01 32.76 2jcc s GLN 218 CO 0.14 0.30 -0.08 0.50 -2.12 0.00 0.00 175.29 174.03 2jcc s ARG 219 N -1.06 1.92 -1.23 2.91 3.52 -0.00 -1.08 118.95 123.93 2jcc s ARG 219 Ca 0.04 -1.09 -0.04 0.00 -0.13 0.00 0.00 55.73 54.51 2jcc s ARG 219 Cb -0.08 -2.67 0.00 0.00 -1.56 0.00 0.00 34.95 30.64 2jcc s ARG 219 CO 0.01 -0.56 1.05 -0.25 -0.81 0.00 0.00 175.30 174.75 2jcc n ASP 220 N 4.59 -4.15 0.00 -2.12 8.00 -1.07 -2.49 116.55 119.31 2jcc n ASP 220 Ca -0.13 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.81 2jcc n ASP 220 Cb 0.44 -4.90 0.00 0.00 -0.02 0.00 0.00 41.12 36.64 2jcc n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jcc n GLY 221 N -1.54 2.99 3.83 0.44 0.00 -1.26 -5.00 105.19 104.65 2jcc n GLY 221 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 2jcc n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jcc s GLU 222 N -0.00 3.95 -0.12 1.61 2.12 -1.04 -5.02 118.70 120.19 2jcc s GLU 222 Ca 0.00 0.45 -0.29 0.00 0.36 0.00 0.00 54.97 55.48 2jcc s GLU 222 Cb 0.00 -3.20 -0.06 0.00 0.26 0.00 0.00 34.13 31.13 2jcc s GLU 222 CO 0.00 0.67 1.89 -0.51 -0.54 0.00 0.00 175.26 176.77 2jcc s ASP 223 N -1.13 6.19 -1.16 -1.70 1.01 -1.26 -0.82 116.67 117.80 2jcc s ASP 223 Ca 0.25 2.09 -0.09 0.00 0.71 0.00 0.00 52.55 55.51 2jcc s ASP 223 Cb -0.17 -2.53 0.24 0.00 1.01 0.00 0.00 42.92 41.48 2jcc s ASP 223 CO 0.14 -1.34 1.38 1.67 0.21 0.00 0.00 175.17 177.23 2jcc n GLN 224 N 7.85 3.69 0.06 8.23 -0.06 -0.26 -4.84 117.38 132.05 2jcc n GLN 224 Ca 0.22 -4.19 -0.09 0.00 -2.00 0.00 0.00 57.00 50.93 2jcc n GLN 224 Cb 0.44 -2.73 -0.06 0.00 -4.06 0.00 0.00 30.24 23.83 2jcc n GLN 224 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 2jcc h THR 225 N 3.89 0.65 -3.40 1.69 2.02 -1.91 -3.35 112.91 112.48 2jcc h THR 225 Ca 0.25 -1.07 -0.60 0.00 0.77 0.00 0.00 66.41 65.76 2jcc h THR 225 Cb 0.79 1.10 -0.10 0.00 -1.74 0.00 0.00 68.15 68.20 2jcc h THR 225 CO 1.22 0.17 0.26 -1.58 0.37 0.00 0.00 175.52 175.96 2jcc s GLN 226 N -3.16 4.15 0.00 6.66 2.00 -1.26 -3.34 119.66 124.71 2jcc s GLN 226 Ca -0.11 0.69 0.00 0.00 -2.00 0.00 0.00 55.36 53.95 2jcc s GLN 226 Cb 0.00 -3.64 0.00 0.00 0.80 0.00 0.00 33.01 30.18 2jcc s GLN 226 CO 0.39 -0.42 0.00 -3.47 -0.50 0.00 0.00 175.29 171.30 2jcc n ASP 227 N 5.69 0.00 -4.73 6.67 2.03 -1.26 -5.10 116.55 119.84 2jcc n ASP 227 Ca 0.01 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.91 2jcc n ASP 227 Cb 0.49 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.85 2jcc n ASP 227 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2jcc s THR 228 N -1.76 3.81 -0.24 5.18 2.01 -1.21 -4.25 115.64 119.18 2jcc s THR 228 Ca 0.00 1.45 -0.06 0.00 0.31 0.00 0.00 61.69 63.39 2jcc s THR 228 Cb 0.00 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 2jcc s THR 228 CO 0.00 0.20 0.04 -1.61 -0.69 0.00 0.00 174.62 172.56 2jcc s GLU 229 N 0.16 3.59 -0.15 4.92 0.41 0.19 -4.96 118.70 122.87 2jcc s GLU 229 Ca 0.54 -0.51 0.01 0.00 -0.41 0.00 0.00 54.97 54.59 2jcc s GLU 229 Cb -0.31 -3.24 0.02 0.00 -1.78 0.00 0.00 34.13 28.83 2jcc s GLU 229 CO 0.34 -0.17 -0.15 -1.17 -0.49 0.00 0.00 175.26 173.61 2jcc s LEU 230 N 1.54 1.75 0.32 1.80 2.96 -1.26 -0.34 118.68 125.44 2jcc s LEU 230 Ca 0.06 -0.50 -0.11 0.00 -0.22 0.00 0.00 54.13 53.36 2jcc s LEU 230 Cb -0.15 -1.21 -0.07 0.00 0.50 0.00 0.00 46.19 45.26 2jcc s LEU 230 CO 0.02 -0.04 0.67 0.68 -1.32 0.00 0.00 176.35 176.36 2jcc s VAL 231 N 1.39 4.82 0.13 1.68 -7.23 -1.16 -5.03 120.40 114.99 2jcc s VAL 231 Ca 0.03 0.61 -0.34 0.00 -1.81 0.00 0.00 61.98 60.47 2jcc s VAL 231 Cb -0.13 -3.66 -0.14 0.00 0.56 0.00 0.00 36.38 33.01 2jcc s VAL 231 CO -0.10 -0.27 1.62 1.21 -0.31 0.00 0.00 175.10 177.25 2jcc n GLU 232 N -0.66 2.16 -1.63 4.82 4.07 -1.26 -4.69 120.64 123.45 2jcc n GLU 232 Ca 0.02 0.78 -0.47 0.00 -0.06 0.00 0.00 57.16 57.43 2jcc n GLU 232 Cb 0.53 -2.56 -0.04 0.00 -0.06 0.00 0.00 31.44 29.32 2jcc n GLU 232 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2jcc n THR 233 N 3.63 0.69 -4.40 6.31 -1.04 -1.26 -4.90 114.28 113.31 2jcc n THR 233 Ca 0.18 -0.17 -0.21 0.00 -2.04 0.00 0.00 64.05 61.81 2jcc n THR 233 Cb 0.29 -1.21 -0.13 0.00 -1.82 0.00 0.00 70.33 67.45 2jcc n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jcc s ARG 234 N -0.11 0.99 0.23 -2.82 1.70 -0.33 -4.96 118.95 113.65 2jcc s ARG 234 Ca 0.73 -0.75 -0.30 0.00 -0.47 0.00 0.00 55.73 54.94 2jcc s ARG 234 Cb -0.75 -1.00 -0.09 0.00 -0.57 0.00 0.00 34.95 32.54 2jcc s ARG 234 CO 0.48 0.25 1.03 -1.25 -1.08 0.00 0.00 175.30 174.74 2jcc s PRO 235 N -1.07 4.71 0.18 3.89 0.04 -1.26 -0.68 135.00 140.81 2jcc s PRO 235 Ca 0.02 1.65 0.10 0.00 0.04 0.00 0.00 61.00 62.81 2jcc s PRO 235 Cb -0.08 -3.26 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 2jcc s PRO 235 CO 0.01 0.29 1.37 0.00 0.04 0.00 0.00 177.00 178.71 2jcc h ALA 236 N 4.37 0.51 0.00 8.56 0.00 -1.35 -3.47 119.26 127.88 2jcc h ALA 236 Ca -0.45 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 53.71 2jcc h ALA 236 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2jcc h ALA 236 CO 0.69 1.02 0.00 0.41 0.00 0.00 0.00 179.25 181.37 2jcc n GLY 237 N 1.18 0.83 0.54 0.00 0.00 -1.26 -4.95 105.19 101.53 2jcc n GLY 237 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 2jcc n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jcc n ASP 238 N 0.00 2.50 0.00 1.61 5.75 -1.26 -4.95 116.55 120.20 2jcc n ASP 238 Ca 0.00 -3.39 0.00 0.00 -0.01 0.00 0.00 54.79 51.39 2jcc n ASP 238 Cb 0.00 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.58 2jcc n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jcc n GLY 239 N -1.13 0.79 3.77 6.12 0.00 -1.26 -5.05 105.19 108.42 2jcc n GLY 239 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 2jcc n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jcc s THR 240 N -3.08 3.10 0.37 2.61 -4.23 -1.26 -4.82 115.64 108.33 2jcc s THR 240 Ca 0.00 -1.59 0.08 0.00 -1.18 0.00 0.00 61.69 59.00 2jcc s THR 240 Cb 0.00 -3.03 -0.07 0.00 1.34 0.00 0.00 72.50 70.74 2jcc s THR 240 CO 0.00 -0.16 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.54 2jcc s PHE 241 N -2.40 2.49 -0.01 3.99 0.40 0.21 -0.91 117.98 121.74 2jcc s PHE 241 Ca 0.39 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 2jcc s PHE 241 Cb -0.03 -1.57 0.01 0.00 0.51 0.00 0.00 43.02 41.93 2jcc s PHE 241 CO 0.24 0.49 -0.02 -0.65 0.70 0.00 0.00 175.22 175.98 2jcc s GLN 242 N -3.69 0.21 0.01 0.44 -0.21 0.14 -2.26 119.66 114.29 2jcc s GLN 242 Ca 0.34 -0.04 -0.07 0.00 0.02 0.00 0.00 55.36 55.61 2jcc s GLN 242 Cb 0.04 -0.25 0.00 0.00 1.00 0.00 0.00 33.01 33.80 2jcc s GLN 242 CO 0.18 0.00 0.14 0.21 -2.12 0.00 0.00 175.29 173.70 2jcc s LYS 243 N 0.22 0.49 0.11 2.91 2.20 0.61 -1.18 119.74 125.10 2jcc s LYS 243 Ca -0.02 -0.42 -0.00 0.00 -0.36 0.00 0.00 55.97 55.17 2jcc s LYS 243 Cb -0.04 0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 36.44 2jcc s LYS 243 CO -0.01 -0.12 0.01 1.67 -0.36 0.00 0.00 175.35 176.55 2jcc s TRP 244 N -1.46 0.84 -0.05 4.03 1.48 -1.26 0.64 118.94 123.16 2jcc s TRP 244 Ca -0.14 -1.11 -0.04 0.00 -1.06 0.00 0.00 56.10 53.74 2jcc s TRP 244 Cb -0.07 -0.50 0.02 0.00 -1.16 0.00 0.00 33.47 31.75 2jcc s TRP 244 CO 0.01 -0.38 0.13 0.00 -4.06 0.00 0.00 176.95 172.66 2jcc s ALA 245 N -3.89 -0.31 0.05 2.67 0.00 -0.87 -3.01 121.76 116.40 2jcc s ALA 245 Ca 0.18 0.44 0.06 0.00 0.00 0.00 0.00 51.96 52.65 2jcc s ALA 245 Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 2jcc s ALA 245 CO -0.02 -0.08 -0.17 0.00 0.00 0.00 0.00 175.76 175.49 2jcc s ALA 246 N 0.34 1.40 -0.03 0.00 0.00 0.54 0.32 121.76 124.33 2jcc s ALA 246 Ca -0.02 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.01 2jcc s ALA 246 Cb -0.03 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.87 2jcc s ALA 246 CO -0.01 0.28 -0.08 0.14 0.00 0.00 0.00 175.76 176.09 2jcc s VAL 247 N -0.92 0.68 -0.25 0.00 -7.23 -0.76 0.54 120.40 112.46 2jcc s VAL 247 Ca 0.03 -0.30 -0.29 0.00 -1.81 0.00 0.00 61.98 59.62 2jcc s VAL 247 Cb -0.09 -0.62 -0.01 0.00 0.56 0.00 0.00 36.38 36.23 2jcc s VAL 247 CO 0.02 0.22 1.35 -0.69 -0.31 0.00 0.00 175.10 175.69 2jcc s VAL 248 N 0.27 4.09 -0.09 1.32 1.01 -1.26 -2.03 120.40 123.71 2jcc s VAL 248 Ca -0.04 1.25 0.04 0.00 0.00 0.00 0.00 61.98 63.23 2jcc s VAL 248 Cb -0.09 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 2jcc s VAL 248 CO 0.00 -0.36 -0.24 -0.69 0.00 0.00 0.00 175.10 173.81 2jcc s VAL 249 N 4.31 2.00 0.04 2.92 1.01 0.71 -4.93 120.40 126.47 2jcc s VAL 249 Ca 0.59 -1.00 -0.37 0.00 0.00 0.00 0.00 61.98 61.20 2jcc s VAL 249 Cb -0.19 -1.73 -0.16 0.00 0.00 0.00 0.00 36.38 34.30 2jcc s VAL 249 CO 0.22 0.55 1.45 -2.65 0.00 0.00 0.00 175.10 174.67 2jcc n PRO 250 N 3.41 1.33 -1.45 2.72 -0.02 -1.26 0.58 135.00 140.30 2jcc n PRO 250 Ca -0.19 0.48 -0.53 0.00 -2.02 0.00 0.00 63.50 61.25 2jcc n PRO 250 Cb 0.53 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.80 2jcc n PRO 250 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jcc n SER 251 N 3.17 -0.56 0.00 2.55 7.64 0.27 -0.80 113.62 125.89 2jcc n SER 251 Ca 0.19 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.22 2jcc n SER 251 Cb 0.20 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 2jcc n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jcc n GLY 252 N 1.78 1.68 1.32 0.23 0.00 -1.26 -4.80 105.19 104.14 2jcc n GLY 252 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 2jcc n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jcc n GLN 253 N -2.00 3.74 -0.32 1.61 6.02 0.02 -4.69 117.38 121.75 2jcc n GLN 253 Ca 0.00 -2.94 -0.04 0.00 -0.01 0.00 0.00 57.00 54.01 2jcc n GLN 253 Cb 0.00 -1.99 0.08 0.00 1.02 0.00 0.00 30.24 29.35 2jcc n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2jcc h GLU 254 N 2.82 1.20 -0.02 -1.09 3.07 -1.87 -3.12 114.58 115.58 2jcc h GLU 254 Ca 0.00 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 2jcc h GLU 254 Cb 1.62 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 29.29 2jcc h GLU 254 CO 0.32 0.87 0.00 1.04 -1.40 0.00 0.00 179.01 179.84 2jcc n GLN 255 N -4.38 1.06 -0.15 2.33 6.02 -1.26 -2.60 117.38 118.40 2jcc n GLN 255 Ca 0.09 -0.09 0.11 0.00 -0.01 0.00 0.00 57.00 57.10 2jcc n GLN 255 Cb 0.08 -1.25 0.28 0.00 1.02 0.00 0.00 30.24 30.37 2jcc n GLN 255 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jcc n ARG 256 N -0.66 2.13 -4.55 -1.09 1.74 -1.18 -4.93 116.66 108.13 2jcc n ARG 256 Ca 0.12 -1.71 -0.32 0.00 -0.77 0.00 0.00 57.85 55.17 2jcc n ARG 256 Cb 0.07 -1.44 -0.11 0.00 -1.02 0.00 0.00 32.46 29.96 2jcc n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2jcc s TYR 257 N -1.59 2.75 -0.03 -1.55 1.51 -1.07 -2.59 117.35 114.78 2jcc s TYR 257 Ca 0.35 -0.13 0.01 0.00 -1.01 0.00 0.00 57.07 56.30 2jcc s TYR 257 Cb 0.20 -1.55 0.01 0.00 -0.11 0.00 0.00 41.96 40.51 2jcc s TYR 257 CO 0.28 0.32 -0.06 0.95 -1.11 0.00 0.00 175.55 175.93 2jcc s THR 258 N -0.96 0.57 -0.12 -0.71 -4.23 -0.24 -4.51 115.64 105.43 2jcc s THR 258 Ca 0.16 -0.19 -0.11 0.00 -1.18 0.00 0.00 61.69 60.38 2jcc s THR 258 Cb -0.11 -0.56 -0.05 0.00 1.34 0.00 0.00 72.50 73.13 2jcc s THR 258 CO 0.06 0.21 0.23 0.00 -0.54 0.00 0.00 174.62 174.59 2jcc s HIS 260 N -0.41 2.30 -0.16 0.00 3.76 0.19 -0.27 115.29 120.70 2jcc s HIS 260 Ca 0.16 -1.48 -0.07 0.00 -0.15 0.00 0.00 55.06 53.52 2jcc s HIS 260 Cb -0.13 -1.60 -0.04 0.00 1.11 0.00 0.00 32.58 31.92 2jcc s HIS 260 CO 0.05 -0.72 0.08 0.08 -0.85 0.00 0.00 174.74 173.38 2jcc s VAL 261 N 1.44 4.96 -0.07 -0.90 1.01 -0.92 -2.18 120.40 123.73 2jcc s VAL 261 Ca -0.00 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.02 2jcc s VAL 261 Cb -0.16 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.03 2jcc s VAL 261 CO -0.09 0.50 -0.14 -1.10 0.00 0.00 0.00 175.10 174.28 2jcc s GLN 262 N -0.01 1.85 -0.22 2.72 -0.21 0.07 -2.53 119.66 121.32 2jcc s GLN 262 Ca 0.07 -0.48 -0.27 0.00 0.02 0.00 0.00 55.36 54.71 2jcc s GLN 262 Cb -0.12 -1.51 0.08 0.00 1.00 0.00 0.00 33.01 32.46 2jcc s GLN 262 CO 0.01 0.06 0.76 -1.58 -2.12 0.00 0.00 175.29 172.42 2jcc s HIS 263 N 0.57 -0.71 0.30 0.91 2.46 -1.26 -1.13 115.29 116.44 2jcc s HIS 263 Ca -0.14 1.60 0.07 0.00 0.47 0.00 0.00 55.06 57.05 2jcc s HIS 263 Cb -0.16 0.32 0.79 0.00 -0.13 0.00 0.00 32.58 33.40 2jcc s HIS 263 CO 0.04 -0.41 1.73 0.93 -2.47 0.00 0.00 174.74 174.56 2jcc h GLU 264 N 4.34 0.57 0.00 2.88 5.08 -1.95 -0.29 114.58 125.20 2jcc h GLU 264 Ca -0.28 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2jcc h GLU 264 Cb 1.16 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2jcc h GLU 264 CO 0.15 0.38 0.00 0.41 -1.00 0.00 0.00 179.01 178.94 2jcc n GLY 265 N -1.32 -0.82 3.39 -3.84 0.00 -1.26 -4.65 105.19 96.69 2jcc n GLY 265 Ca 0.24 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 2jcc n GLY 265 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jcc s LEU 266 N -3.42 5.02 0.31 0.99 2.96 -0.12 -4.55 118.68 119.87 2jcc s LEU 266 Ca 0.03 -1.07 0.07 0.00 -0.22 0.00 0.00 54.13 52.93 2jcc s LEU 266 Cb 0.05 -2.08 0.81 0.00 0.50 0.00 0.00 46.19 45.47 2jcc s LEU 266 CO 0.17 -0.46 1.73 -0.65 -1.32 0.00 0.00 176.35 175.82 2jcc h PRO 267 N 8.54 0.55 -4.17 0.98 0.11 -1.84 -3.41 132.00 132.75 2jcc h PRO 267 Ca -0.26 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 65.56 2jcc h PRO 267 Cb 1.11 -0.12 -0.25 0.00 0.11 0.00 0.00 31.00 31.84 2jcc h PRO 267 CO 0.73 0.36 -0.73 0.15 -0.21 0.00 0.00 178.00 178.30 2jcc s LYS 268 N -5.82 0.32 0.20 1.05 1.02 -1.26 -5.13 119.74 110.12 2jcc s LYS 268 Ca -0.11 -0.37 -0.32 0.00 0.02 0.00 0.00 55.97 55.20 2jcc s LYS 268 Cb 0.26 -0.18 -0.12 0.00 -0.52 0.00 0.00 37.83 37.27 2jcc s LYS 268 CO 0.79 0.04 1.74 -2.30 -0.92 0.00 0.00 175.35 174.70 2jcc n PRO 269 N 2.35 2.80 -3.11 -1.68 -0.02 -1.26 -4.99 135.00 129.09 2jcc n PRO 269 Ca -0.17 1.01 -0.31 0.00 -2.02 0.00 0.00 63.50 62.01 2jcc n PRO 269 Cb 0.57 -2.87 -0.05 0.00 -0.02 0.00 0.00 33.50 31.14 2jcc n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2jcc s LEU 270 N 1.38 4.00 -0.19 2.45 1.43 -1.05 -4.93 118.68 121.76 2jcc s LEU 270 Ca 0.76 1.09 -0.02 0.00 -1.03 0.00 0.00 54.13 54.93 2jcc s LEU 270 Cb -0.50 -3.91 0.06 0.00 0.03 0.00 0.00 46.19 41.87 2jcc s LEU 270 CO 0.33 -0.25 0.01 -0.89 0.23 0.00 0.00 176.35 175.78 2jcc s THR 271 N -2.10 0.70 -0.19 5.49 2.01 -1.26 -2.16 115.64 118.13 2jcc s THR 271 Ca 0.51 -0.63 -0.07 0.00 0.31 0.00 0.00 61.69 61.81 2jcc s THR 271 Cb -0.10 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 2jcc s THR 271 CO 0.25 -0.15 0.04 -0.76 -0.69 0.00 0.00 174.62 173.31 2jcc s LEU 272 N 1.78 3.60 -0.00 4.42 1.43 0.63 -4.93 118.68 125.61 2jcc s LEU 272 Ca -0.01 -0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.12 2jcc s LEU 272 Cb -0.17 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 2jcc s LEU 272 CO -0.07 0.12 -0.23 -0.60 0.23 0.00 0.00 176.35 175.79 2jcc s ARG 273 N 0.70 1.79 0.18 1.70 3.52 -1.26 -1.07 118.95 124.50 2jcc s ARG 273 Ca 0.02 -0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 54.46 2jcc s ARG 273 Cb -0.14 -1.78 -0.07 0.00 -1.56 0.00 0.00 34.95 31.40 2jcc s ARG 273 CO 0.02 0.48 1.05 -0.46 -0.81 0.00 0.00 175.30 175.58 2jcc s TRP 274 N -0.60 3.69 0.00 5.12 -0.11 -1.26 -5.08 118.94 120.70 2jcc s TRP 274 Ca 0.09 1.69 0.00 0.00 1.22 0.00 0.00 56.10 59.10 2jcc s TRP 274 Cb -0.09 -3.19 0.00 0.00 -1.50 0.00 0.00 33.47 28.70 2jcc s TRP 274 CO -0.00 -0.27 0.00 -0.85 -4.62 0.00 0.00 176.95 171.21