#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jjp s THR 16 N 0.00 0.54 -0.37 -5.08 2.01 -1.26 -5.06 115.64 106.42 2jjp s THR 16 Ca 0.00 -1.27 -0.04 0.00 0.31 0.00 0.00 61.69 60.69 2jjp s THR 16 Cb 0.00 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 2jjp s THR 16 CO 0.00 -0.51 2.97 0.41 -0.69 0.00 0.00 174.62 176.80 2jjp n THR 17 N 1.12 3.30 -3.72 -0.82 -1.04 -1.26 -4.65 114.28 107.21 2jjp n THR 17 Ca -0.20 -2.67 -0.30 0.00 -2.04 0.00 0.00 64.05 58.83 2jjp n THR 17 Cb 0.56 -1.71 -0.14 0.00 -1.82 0.00 0.00 70.33 67.23 2jjp n THR 17 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2jjp s ILE 18 N -1.44 1.13 -0.14 12.58 -1.16 -1.26 -5.11 121.20 125.79 2jjp s ILE 18 Ca 0.61 -1.99 -0.40 0.00 -0.51 0.00 0.00 60.65 58.36 2jjp s ILE 18 Cb 0.36 -1.82 -0.17 0.00 0.61 0.00 0.00 42.46 41.44 2jjp s ILE 18 CO -0.17 -0.79 1.47 0.47 -2.81 0.00 0.00 174.94 173.11 2jjp n ASP 19 N 4.17 1.54 0.00 4.50 9.92 -1.26 -4.94 116.55 130.48 2jjp n ASP 19 Ca 0.04 1.12 0.00 0.00 -0.53 0.00 0.00 54.79 55.42 2jjp n ASP 19 Cb 0.38 -1.08 0.00 0.00 -0.64 0.00 0.00 41.12 39.78 2jjp n ASP 19 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2jjp n GLU 20 N 3.53 0.00 -1.78 -1.24 0.28 -1.26 -5.11 120.64 115.06 2jjp n GLU 20 Ca 0.23 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.23 2jjp n GLU 20 Cb 0.11 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.98 2jjp n GLU 20 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2jjp n VAL 21 N -0.43 -4.96 -1.68 3.84 0.31 -1.26 -4.90 118.33 109.25 2jjp n VAL 21 Ca 0.00 0.57 -0.45 0.00 -0.01 0.00 0.00 64.34 64.45 2jjp n VAL 21 Cb 0.00 -4.48 -0.04 0.00 -0.91 0.00 0.00 33.84 28.41 2jjp n VAL 21 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2jjp n PRO 22 N 0.30 2.21 -0.94 5.55 -0.02 -1.26 -4.90 135.00 135.94 2jjp n PRO 22 Ca -0.05 0.80 -0.31 0.00 -2.02 0.00 0.00 63.50 61.91 2jjp n PRO 22 Cb 0.08 -2.56 0.14 0.00 -0.02 0.00 0.00 33.50 31.14 2jjp n PRO 22 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2jjp s GLY 23 N 0.87 1.78 0.50 -1.23 0.00 -1.26 -4.69 107.32 103.28 2jjp s GLY 23 Ca 0.77 0.55 0.31 0.00 0.00 0.00 0.00 44.72 46.35 2jjp s GLY 23 CO 0.39 0.95 1.81 -0.33 0.00 0.00 0.00 173.10 175.92 2jjp h MET 24 N -1.47 0.10 -0.95 2.90 2.86 -1.83 -2.89 114.93 113.64 2jjp h MET 24 Ca -0.44 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.19 2jjp h MET 24 Cb 1.26 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.85 2jjp h MET 24 CO 0.45 0.07 0.58 0.00 1.06 0.00 0.00 176.91 179.07 2jjp h ALA 25 N 1.49 1.23 -2.21 6.32 0.00 -1.80 -3.23 119.26 121.06 2jjp h ALA 25 Ca 0.55 -0.10 -0.74 0.00 0.00 0.00 0.00 54.91 54.62 2jjp h ALA 25 Cb 1.96 -0.38 -0.22 0.00 0.00 0.00 0.00 17.79 19.15 2jjp h ALA 25 CO -0.09 0.67 0.16 0.34 0.00 0.00 0.00 179.25 180.33 2jjp s ASP 26 N -6.18 6.43 0.10 0.00 -1.08 -1.09 -4.89 116.67 109.95 2jjp s ASP 26 Ca -0.13 -1.97 -0.13 0.00 -0.52 0.00 0.00 52.55 49.80 2jjp s ASP 26 Cb 0.17 -2.27 -0.15 0.00 -1.46 0.00 0.00 42.92 39.21 2jjp s ASP 26 CO 0.82 -0.90 1.31 -0.08 0.52 0.00 0.00 175.17 176.84 2jjp h GLU 27 N 8.66 0.79 -0.74 4.34 4.81 -1.80 -1.80 114.58 128.83 2jjp h GLU 27 Ca -0.11 -0.62 -0.05 0.00 -0.13 0.00 0.00 59.36 58.45 2jjp h GLU 27 Cb 1.07 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 2jjp h GLU 27 CO 0.99 1.23 0.25 1.15 -0.73 0.00 0.00 179.01 181.90 2jjp h THR 28 N 0.52 1.26 -0.34 0.32 2.02 -1.91 -0.48 112.91 114.30 2jjp h THR 28 Ca -0.04 -0.88 -0.17 0.00 0.77 0.00 0.00 66.41 66.09 2jjp h THR 28 Cb 1.35 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2jjp h THR 28 CO 0.15 0.35 -0.46 0.00 0.37 0.00 0.00 175.52 175.93 2jjp h ALA 29 N 1.17 0.51 -0.21 6.16 0.00 -1.95 -2.15 119.26 122.78 2jjp h ALA 29 Ca 0.24 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.71 2jjp h ALA 29 Cb 0.28 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2jjp h ALA 29 CO -0.01 0.66 -0.06 1.25 0.00 0.00 0.00 179.25 181.10 2jjp h LEU 30 N 0.71 -0.20 -1.05 0.00 5.85 -0.89 -1.14 115.31 118.58 2jjp h LEU 30 Ca 0.04 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2jjp h LEU 30 Cb 1.06 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 2jjp h LEU 30 CO 0.11 -0.07 0.23 -0.07 -0.34 0.00 0.00 178.44 178.29 2jjp h LEU 31 N -0.01 0.83 -0.21 2.25 3.38 -1.02 -0.68 115.31 119.86 2jjp h LEU 31 Ca 0.10 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2jjp h LEU 31 Cb 0.16 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2jjp h LEU 31 CO -0.22 0.76 -0.18 -0.78 0.09 0.00 0.00 178.44 178.11 2jjp h ASP 32 N 0.89 0.52 0.10 -0.43 3.58 -1.20 -1.67 116.42 118.21 2jjp h ASP 32 Ca 0.21 -0.46 0.02 0.00 0.42 0.00 0.00 57.03 57.22 2jjp h ASP 32 Cb 0.20 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.06 2jjp h ASP 32 CO -0.02 0.88 -0.30 -0.25 -2.88 0.00 0.00 179.24 176.67 2jjp h TRP 33 N 0.18 -0.81 -0.75 0.28 7.01 -0.77 -2.59 115.95 118.50 2jjp h TRP 33 Ca 0.04 0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.19 2jjp h TRP 33 Cb 0.72 0.34 -0.09 0.00 -2.10 0.00 0.00 29.16 28.03 2jjp h TRP 33 CO 0.08 -0.40 0.31 -0.07 -2.79 0.00 0.00 178.44 175.56 2jjp h LEU 34 N -0.50 0.31 -0.71 0.65 3.38 -1.10 0.15 115.31 117.49 2jjp h LEU 34 Ca 0.04 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.18 2jjp h LEU 34 Cb 0.54 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 2jjp h LEU 34 CO -0.19 0.13 0.39 1.23 0.09 0.00 0.00 178.44 180.09 2jjp h GLY 35 N 0.47 1.05 1.14 0.83 0.00 -1.11 0.52 103.07 105.98 2jjp h GLY 35 Ca 0.40 -0.26 -0.18 0.00 0.00 0.00 0.00 47.33 47.29 2jjp h GLY 35 CO -0.38 0.14 -0.49 -0.84 0.00 0.00 0.00 176.54 174.97 2jjp h THR 36 N 0.69 1.27 -0.37 4.70 2.02 -0.89 -2.87 112.91 117.47 2jjp h THR 36 Ca 0.33 -1.67 -0.03 0.00 0.77 0.00 0.00 66.41 65.81 2jjp h THR 36 Cb 0.25 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 2jjp h THR 36 CO -0.21 0.55 0.13 0.24 0.37 0.00 0.00 175.52 176.60 2jjp h MET 37 N 0.71 0.57 -0.96 6.66 2.07 -0.72 0.30 114.93 123.56 2jjp h MET 37 Ca 0.03 -0.11 0.25 0.00 -2.07 0.00 0.00 59.70 57.80 2jjp h MET 37 Cb 1.10 -0.09 -0.13 0.00 -1.87 0.00 0.00 31.60 30.61 2jjp h MET 37 CO 0.11 0.57 0.50 -0.09 1.07 0.00 0.00 176.91 179.07 2jjp h ARG 38 N 0.45 0.44 0.09 1.72 2.43 -0.92 0.13 114.38 118.72 2jjp h ARG 38 Ca 0.12 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2jjp h ARG 38 Cb 0.23 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2jjp h ARG 38 CO -0.01 0.29 -0.05 1.49 -1.51 0.00 0.00 179.97 180.19 2jjp h GLU 39 N 0.46 -0.12 0.00 0.20 4.81 -1.24 -3.40 114.58 115.29 2jjp h GLU 39 Ca 0.63 0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 59.61 2jjp h GLU 39 Cb 1.24 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.60 2jjp h GLU 39 CO -0.52 0.37 -2.00 1.63 -0.73 0.00 0.00 179.01 177.76 2jjp n LYS 40 N -4.82 1.51 -3.06 1.92 5.02 0.10 -4.76 118.16 114.06 2jjp n LYS 40 Ca -0.07 -0.02 -0.19 0.00 -2.02 0.00 0.00 58.31 56.02 2jjp n LYS 40 Cb 0.27 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 2jjp n LYS 40 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2jjp n GLN 41 N -2.52 0.79 0.30 1.97 -0.06 0.33 -5.00 117.38 113.19 2jjp n GLN 41 Ca -0.23 -2.83 0.18 0.00 -2.00 0.00 0.00 57.00 52.12 2jjp n GLN 41 Cb 0.95 -1.34 0.94 0.00 -4.06 0.00 0.00 30.24 26.73 2jjp n GLN 41 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 2jjp h PRO 42 N 3.78 0.00 -4.33 3.69 0.13 -1.47 -3.37 132.00 130.44 2jjp h PRO 42 Ca 0.01 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.59 2jjp h PRO 42 Cb 0.94 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.70 2jjp h PRO 42 CO 0.42 0.03 -0.81 0.08 -0.23 0.00 0.00 178.00 177.49 2jjp s VAL 43 N -4.09 1.21 -0.02 1.56 1.01 -1.26 -2.51 120.40 116.30 2jjp s VAL 43 Ca -0.03 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.50 2jjp s VAL 43 Cb 0.12 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 2jjp s VAL 43 CO 0.50 0.31 -0.19 0.86 0.00 0.00 0.00 175.10 176.57 2jjp s TRP 44 N 1.62 1.77 -0.26 5.22 -0.00 -0.46 -4.95 118.94 121.87 2jjp s TRP 44 Ca 0.03 -0.37 -0.07 0.00 -0.00 0.00 0.00 56.10 55.69 2jjp s TRP 44 Cb -0.14 -1.15 -0.01 0.00 -0.00 0.00 0.00 33.47 32.17 2jjp s TRP 44 CO -0.09 -0.06 0.06 -1.14 -0.00 0.00 0.00 176.95 175.73 2jjp s GLN 45 N -0.37 3.43 0.92 5.86 0.74 -1.26 0.24 119.66 129.22 2jjp s GLN 45 Ca 0.05 -0.62 -0.14 0.00 0.05 0.00 0.00 55.36 54.70 2jjp s GLN 45 Cb -0.08 -3.30 0.21 0.00 1.10 0.00 0.00 33.01 30.93 2jjp s GLN 45 CO -0.00 -0.28 1.26 -0.40 -0.55 0.00 0.00 175.29 175.32 2jjp n ASP 46 N 4.89 0.27 0.00 6.67 5.68 -0.52 -4.92 116.55 128.62 2jjp n ASP 46 Ca -0.16 -1.56 0.07 0.00 -0.50 0.00 0.00 54.79 52.64 2jjp n ASP 46 Cb 0.50 -0.95 0.30 0.00 -1.14 0.00 0.00 41.12 39.84 2jjp n ASP 46 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 2jjp n ARG 47 N -3.63 0.01 -0.12 0.11 1.85 -1.26 -1.55 116.66 112.08 2jjp n ARG 47 Ca 0.16 0.26 0.12 0.00 -1.00 0.00 0.00 57.85 57.39 2jjp n ARG 47 Cb 0.57 -1.50 0.22 0.00 -1.05 0.00 0.00 32.46 30.70 2jjp n ARG 47 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2jjp n TYR 48 N -1.49 0.31 -0.94 2.89 4.02 -1.26 -4.93 117.16 115.76 2jjp n TYR 48 Ca 0.04 -0.15 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 2jjp n TYR 48 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 2jjp n TYR 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jjp n GLY 49 N 1.41 0.48 3.74 2.72 0.00 -0.60 -4.89 105.19 108.05 2jjp n GLY 49 Ca 0.18 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 2jjp n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jjp s VAL 50 N -2.00 5.12 0.06 1.61 1.01 -1.26 -4.48 120.40 120.47 2jjp s VAL 50 Ca 0.00 1.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.98 2jjp s VAL 50 Cb 0.00 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2jjp s VAL 50 CO 0.00 0.35 0.28 0.26 0.00 0.00 0.00 175.10 175.99 2jjp s TRP 51 N 0.40 3.53 -0.02 5.22 0.52 -0.29 -1.44 118.94 126.85 2jjp s TRP 51 Ca 0.28 0.46 0.03 0.00 0.02 0.00 0.00 56.10 56.89 2jjp s TRP 51 Cb -0.16 -1.92 -0.00 0.00 -1.15 0.00 0.00 33.47 30.24 2jjp s TRP 51 CO 0.12 0.55 -0.12 -1.01 0.02 0.00 0.00 176.95 176.51 2jjp s HIS 52 N -1.47 1.18 -0.13 -1.98 3.76 0.14 0.51 115.29 117.29 2jjp s HIS 52 Ca 0.34 -0.28 0.01 0.00 -0.15 0.00 0.00 55.06 54.97 2jjp s HIS 52 Cb -0.13 -0.80 0.02 0.00 1.11 0.00 0.00 32.58 32.78 2jjp s HIS 52 CO 0.22 -0.09 -0.14 0.08 -0.85 0.00 0.00 174.74 173.96 2jjp s VAL 53 N -0.01 1.53 -0.06 -0.90 1.01 -0.46 -1.36 120.40 120.16 2jjp s VAL 53 Ca -0.00 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.40 2jjp s VAL 53 Cb -0.08 -1.43 -0.08 0.00 0.00 0.00 0.00 36.38 34.80 2jjp s VAL 53 CO 0.00 0.45 0.03 0.49 0.00 0.00 0.00 175.10 176.07 2jjp n PHE 54 N 4.58 0.00 -2.86 5.22 3.01 -1.04 -1.14 117.46 125.22 2jjp n PHE 54 Ca -0.17 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.95 2jjp n PHE 54 Cb 0.50 -0.28 -0.07 0.00 -0.01 0.00 0.00 39.48 39.62 2jjp n PHE 54 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2jjp s ARG 55 N -2.16 4.22 0.12 -1.08 0.52 -1.26 -3.33 118.95 115.98 2jjp s ARG 55 Ca -0.03 1.07 -0.23 0.00 -0.52 0.00 0.00 55.73 56.02 2jjp s ARG 55 Cb 0.02 -2.26 -0.05 0.00 0.52 0.00 0.00 34.95 33.19 2jjp s ARG 55 CO 0.25 0.02 1.68 1.25 0.02 0.00 0.00 175.30 178.51 2jjp h HIS 56 N 2.05 -0.35 -0.02 -0.53 -0.00 -1.87 0.87 115.15 115.30 2jjp h HIS 56 Ca -0.49 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 59.83 2jjp h HIS 56 Cb 1.18 0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 28.75 2jjp h HIS 56 CO 0.62 -0.20 -0.32 0.00 -0.00 0.00 0.00 177.93 178.02 2jjp h ALA 57 N 0.83 1.43 0.13 5.26 0.00 -1.95 -0.53 119.26 124.43 2jjp h ALA 57 Ca 0.07 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 2jjp h ALA 57 Cb 0.30 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.05 2jjp h ALA 57 CO -0.19 0.42 -0.82 -0.44 0.00 0.00 0.00 179.25 178.22 2jjp h ASP 58 N 0.03 0.51 -0.05 0.00 3.32 -1.90 -1.21 116.42 117.12 2jjp h ASP 58 Ca 0.00 -0.92 0.04 0.00 0.02 0.00 0.00 57.03 56.17 2jjp h ASP 58 Cb 0.59 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 2jjp h ASP 58 CO 0.04 1.39 -0.29 0.58 -1.72 0.00 0.00 179.24 179.24 2jjp h VAL 59 N -0.29 0.35 -0.49 -1.35 2.07 -0.74 -1.33 116.25 114.47 2jjp h VAL 59 Ca -0.14 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.48 2jjp h VAL 59 Cb 1.62 0.35 -0.10 0.00 -1.52 0.00 0.00 31.29 31.65 2jjp h VAL 59 CO 0.16 0.00 -0.14 1.56 0.02 0.00 0.00 177.57 179.16 2jjp h GLN 60 N -0.41 -0.02 -0.36 1.57 4.20 -1.10 -1.15 115.11 117.83 2jjp h GLN 60 Ca 0.08 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.86 2jjp h GLN 60 Cb 0.52 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.23 2jjp h GLN 60 CO -0.28 -0.02 -0.14 1.15 -0.67 0.00 0.00 178.83 178.87 2jjp h THR 61 N -0.03 0.54 0.91 -0.54 2.02 -0.72 -1.36 112.91 113.73 2jjp h THR 61 Ca 0.24 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.37 2jjp h THR 61 Cb 0.38 0.54 0.01 0.00 -1.74 0.00 0.00 68.15 67.34 2jjp h THR 61 CO -0.52 0.00 -0.46 0.58 0.37 0.00 0.00 175.52 175.49 2jjp h VAL 62 N -0.07 0.00 -0.73 3.16 2.07 -0.86 -2.35 116.25 117.47 2jjp h VAL 62 Ca 0.18 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.83 2jjp h VAL 62 Cb 0.34 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 2jjp h VAL 62 CO -0.41 0.00 0.49 -0.07 0.02 0.00 0.00 177.57 177.60 2jjp h LEU 63 N -1.26 0.44 -0.44 2.57 3.38 -0.97 -1.95 115.31 117.08 2jjp h LEU 63 Ca -0.12 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.69 2jjp h LEU 63 Cb 0.97 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2jjp h LEU 63 CO 0.19 0.24 -0.61 -0.09 0.09 0.00 0.00 178.44 178.26 2jjp h ARG 64 N 0.48 0.57 -4.27 1.13 2.43 -1.05 -3.43 114.38 110.23 2jjp h ARG 64 Ca 0.35 -0.39 -0.76 0.00 -0.81 0.00 0.00 59.98 58.38 2jjp h ARG 64 Cb 0.72 0.06 -0.22 0.00 -0.42 0.00 0.00 29.97 30.10 2jjp h ARG 64 CO -0.12 1.01 0.78 0.34 -1.51 0.00 0.00 179.97 180.47 2jjp s ASP 65 N -6.95 7.03 0.42 -3.80 -1.08 -0.73 -4.84 116.67 106.71 2jjp s ASP 65 Ca -0.07 -2.98 0.23 0.00 -0.52 0.00 0.00 52.55 49.21 2jjp s ASP 65 Cb 0.11 -2.31 0.77 0.00 -1.46 0.00 0.00 42.92 40.02 2jjp s ASP 65 CO 0.85 -0.63 1.76 0.71 0.52 0.00 0.00 175.17 178.38 2jjp h THR 66 N 4.56 0.53 -0.33 1.71 1.35 -1.81 0.19 112.91 119.11 2jjp h THR 66 Ca 0.21 -1.25 -0.06 0.00 -0.55 0.00 0.00 66.41 64.76 2jjp h THR 66 Cb 0.93 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.21 2jjp h THR 66 CO 1.07 0.24 -0.01 0.00 -0.25 0.00 0.00 175.52 176.56 2jjp h ALA 67 N 1.76 0.44 0.20 6.62 0.00 -1.97 -3.27 119.26 123.05 2jjp h ALA 67 Ca -0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 54.91 54.32 2jjp h ALA 67 Cb 0.85 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.54 2jjp h ALA 67 CO 0.03 0.21 -1.64 1.15 0.00 0.00 0.00 179.25 179.00 2jjp h THR 68 N 0.39 1.04 -3.59 0.00 2.02 -1.89 -3.42 112.91 107.46 2jjp h THR 68 Ca 0.09 -2.55 -0.66 0.00 0.77 0.00 0.00 66.41 64.06 2jjp h THR 68 Cb 0.47 2.84 -0.39 0.00 -1.74 0.00 0.00 68.15 69.33 2jjp h THR 68 CO 0.02 0.83 -0.65 -0.36 0.37 0.00 0.00 175.52 175.73 2jjp s PHE 69 N -2.57 3.61 0.33 3.16 0.40 0.64 -0.56 117.98 122.99 2jjp s PHE 69 Ca -0.15 -2.92 -0.18 0.00 -0.60 0.00 0.00 56.93 53.08 2jjp s PHE 69 Cb 0.05 -2.98 -0.09 0.00 0.51 0.00 0.00 43.02 40.51 2jjp s PHE 69 CO 0.87 -0.91 0.80 0.45 0.70 0.00 0.00 175.22 177.13 2jjp s SER 70 N 0.84 6.90 0.00 1.36 0.15 1.00 -4.13 113.70 119.81 2jjp s SER 70 Ca 0.12 1.44 0.27 0.00 0.70 0.00 0.00 55.95 58.48 2jjp s SER 70 Cb -0.21 -2.44 0.77 0.00 -1.71 0.00 0.00 66.02 62.43 2jjp s SER 70 CO -0.06 -0.19 1.58 -1.20 1.20 0.00 0.00 173.24 174.57 2jjp n SER 71 N -0.19 1.74 -4.53 5.45 7.64 -1.26 -0.21 113.62 122.26 2jjp n SER 71 Ca 0.03 -1.49 -0.43 0.00 1.01 0.00 0.00 58.87 57.99 2jjp n SER 71 Cb 0.53 0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.74 2jjp n SER 71 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jjp s ASP 72 N -2.12 6.38 0.16 6.43 3.68 -1.25 -4.29 116.67 125.65 2jjp s ASP 72 Ca 0.32 -0.23 -0.11 0.00 2.13 0.00 0.00 52.55 54.67 2jjp s ASP 72 Cb 0.20 -2.43 0.02 0.00 -1.45 0.00 0.00 42.92 39.25 2jjp s ASP 72 CO 0.37 -1.16 1.57 -0.65 0.13 0.00 0.00 175.17 175.44 2jjp h PRO 73 N 9.23 0.96 0.00 4.34 0.11 -1.87 -2.90 132.00 141.85 2jjp h PRO 73 Ca -0.26 -0.36 0.00 0.00 0.11 0.00 0.00 66.00 65.50 2jjp h PRO 73 Cb 1.08 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2jjp h PRO 73 CO 1.06 1.02 0.00 0.25 -0.21 0.00 0.00 178.00 180.13 2jjp n THR 74 N -4.21 0.00 -0.33 -1.15 -2.24 -1.26 -3.42 114.28 101.68 2jjp n THR 74 Ca 0.01 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.81 2jjp n THR 74 Cb 0.39 -0.56 0.20 0.00 -2.10 0.00 0.00 70.33 68.26 2jjp n THR 74 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2jjp h ARG 75 N 0.00 1.10 0.06 -0.78 2.43 -1.89 -3.22 114.38 112.08 2jjp h ARG 75 Ca 0.00 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 58.92 2jjp h ARG 75 Cb 0.00 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 2jjp h ARG 75 CO 0.00 0.73 -0.96 -0.39 -1.51 0.00 0.00 179.97 177.83 2jjp h VAL 76 N 1.13 1.25 -3.98 0.20 -1.51 -1.84 -3.48 116.25 108.02 2jjp h VAL 76 Ca 0.39 -2.35 -0.55 0.00 -1.23 0.00 0.00 66.70 62.96 2jjp h VAL 76 Cb 0.10 2.82 0.13 0.00 -2.13 0.00 0.00 31.29 32.21 2jjp h VAL 76 CO -0.13 0.59 0.69 2.30 -1.23 0.00 0.00 177.57 179.78 2jjp n ILE 77 N -4.23 2.98 0.22 7.19 -5.35 -1.22 -4.84 119.36 114.11 2jjp n ILE 77 Ca -0.22 -0.50 0.13 0.00 -0.27 0.00 0.00 62.75 61.89 2jjp n ILE 77 Cb 0.74 -1.82 0.65 0.00 -1.74 0.00 0.00 39.64 37.47 2jjp n ILE 77 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 2jjp h GLU 78 N 2.15 0.00 -4.03 6.28 -0.00 -1.92 -3.33 114.58 113.72 2jjp h GLU 78 Ca -0.51 0.00 -0.75 0.00 -0.00 0.00 0.00 59.36 58.11 2jjp h GLU 78 Cb 1.27 0.00 -0.28 0.00 -0.00 0.00 0.00 28.75 29.74 2jjp h GLU 78 CO 0.60 0.00 -0.22 0.20 -0.00 0.00 0.00 179.01 179.59 2jjp s GLY 79 N -3.63 2.28 -0.33 1.06 0.00 -1.26 -5.00 107.32 100.44 2jjp s GLY 79 Ca -0.02 -2.84 -0.25 0.00 0.00 0.00 0.00 44.72 41.61 2jjp s GLY 79 CO 0.26 1.17 1.71 0.00 0.00 0.00 0.00 173.10 176.23 2jjp n ALA 80 N 4.55 1.95 -3.32 3.20 0.00 -1.25 -4.78 120.51 120.86 2jjp n ALA 80 Ca -0.02 -2.75 -0.39 0.00 0.00 0.00 0.00 53.44 50.29 2jjp n ALA 80 Cb 0.42 -3.60 -0.03 0.00 0.00 0.00 0.00 19.45 16.24 2jjp n ALA 80 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jjp n SER 81 N 7.99 5.20 -4.64 0.00 3.41 -1.26 -5.02 113.62 119.30 2jjp n SER 81 Ca 0.45 -3.27 -0.43 0.00 -0.26 0.00 0.00 58.87 55.36 2jjp n SER 81 Cb 0.38 -1.13 -0.02 0.00 -0.26 0.00 0.00 64.21 63.17 2jjp n SER 81 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 2jjp s PRO 82 N -2.06 4.01 -0.00 4.33 0.02 -1.26 -4.90 135.00 135.14 2jjp s PRO 82 Ca 0.32 1.27 -0.30 0.00 0.02 0.00 0.00 61.00 62.31 2jjp s PRO 82 Cb 0.00 -3.82 -0.08 0.00 0.02 0.00 0.00 34.50 30.62 2jjp s PRO 82 CO -0.01 -1.00 1.94 0.99 -0.33 0.00 0.00 177.00 178.58 2jjp s THR 83 N 4.05 3.11 0.19 0.99 2.01 -1.26 -4.91 115.64 119.82 2jjp s THR 83 Ca 0.53 0.14 -0.31 0.00 0.31 0.00 0.00 61.69 62.36 2jjp s THR 83 Cb -0.16 -3.09 -0.10 0.00 0.01 0.00 0.00 72.50 69.16 2jjp s THR 83 CO 0.20 -0.02 1.49 -2.84 -0.69 0.00 0.00 174.62 172.75 2jjp s PRO 84 N 4.56 4.25 0.00 4.92 0.02 -1.26 -2.01 135.00 145.49 2jjp s PRO 84 Ca 0.87 2.29 0.00 0.00 0.02 0.00 0.00 61.00 64.18 2jjp s PRO 84 Cb -0.40 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 30.97 2jjp s PRO 84 CO 0.39 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.97 2jjp n GLY 85 N 3.11 0.86 3.51 0.52 0.00 -1.26 -4.26 105.19 107.67 2jjp n GLY 85 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 2jjp n GLY 85 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jjp s MET 86 N -0.37 4.05 0.61 1.61 -1.94 -0.85 -3.62 119.30 118.80 2jjp s MET 86 Ca 0.00 -2.33 0.32 0.00 -1.71 0.00 0.00 55.69 51.96 2jjp s MET 86 Cb 0.00 -5.27 1.82 0.00 2.01 0.00 0.00 34.83 33.39 2jjp s MET 86 CO 0.00 -1.98 2.17 0.97 -0.01 0.00 0.00 175.02 176.16 2jjp h ILE 87 N 5.05 0.37 -0.01 2.53 2.10 -1.93 0.89 117.51 126.52 2jjp h ILE 87 Ca 0.38 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.32 2jjp h ILE 87 Cb 0.87 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 2jjp h ILE 87 CO 1.34 0.00 -0.04 0.00 -1.08 0.00 0.00 178.15 178.37 2jjp n HIS 88 N -3.62 0.00 -1.35 2.19 1.44 -1.26 -3.62 115.22 108.99 2jjp n HIS 88 Ca -0.01 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.78 2jjp n HIS 88 Cb 0.23 -0.07 0.14 0.00 0.12 0.00 0.00 29.99 30.41 2jjp n HIS 88 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2jjp n GLU 89 N -0.62 1.16 -4.10 -1.40 1.02 0.31 -4.77 120.64 112.23 2jjp n GLU 89 Ca 0.19 -2.55 -0.19 0.00 -0.02 0.00 0.00 57.16 54.59 2jjp n GLU 89 Cb 0.25 -1.36 -0.16 0.00 -0.02 0.00 0.00 31.44 30.15 2jjp n GLU 89 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2jjp s ILE 90 N -2.53 0.42 0.45 -3.67 1.01 -1.23 -3.94 121.20 111.71 2jjp s ILE 90 Ca 0.30 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.89 2jjp s ILE 90 Cb 0.27 -0.46 -0.00 0.00 0.01 0.00 0.00 42.46 42.28 2jjp s ILE 90 CO -0.00 0.19 0.66 -1.81 0.00 0.00 0.00 174.94 173.98 2jjp s ASP 91 N 0.87 5.81 0.45 3.58 1.01 -1.26 -4.47 116.67 122.65 2jjp s ASP 91 Ca -0.11 0.23 -0.21 0.00 0.71 0.00 0.00 52.55 53.18 2jjp s ASP 91 Cb -0.14 -1.47 -0.13 0.00 1.01 0.00 0.00 42.92 42.20 2jjp s ASP 91 CO -0.00 -0.71 0.37 -2.65 0.21 0.00 0.00 175.17 172.39 2jjp n PRO 92 N -2.07 0.38 0.01 8.23 -0.02 -1.26 -1.22 135.00 139.06 2jjp n PRO 92 Ca 0.02 0.14 0.12 0.00 -2.02 0.00 0.00 63.50 61.75 2jjp n PRO 92 Cb 0.58 -1.37 0.17 0.00 -0.02 0.00 0.00 33.50 32.85 2jjp n PRO 92 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jjp n PRO 93 N 0.75 0.08 -0.24 0.52 -0.04 -1.26 -4.77 135.00 130.04 2jjp n PRO 93 Ca 0.11 0.01 -0.05 0.00 -0.04 0.00 0.00 63.50 63.53 2jjp n PRO 93 Cb 0.42 -1.54 0.10 0.00 -0.04 0.00 0.00 33.50 32.44 2jjp n PRO 93 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2jjp h GLU 94 N 0.00 1.08 -0.86 0.54 3.07 -1.90 -2.02 114.58 114.48 2jjp h GLU 94 Ca 0.00 -0.21 0.19 0.00 -0.50 0.00 0.00 59.36 58.83 2jjp h GLU 94 Cb 0.57 -0.17 -0.11 0.00 -0.84 0.00 0.00 28.75 28.20 2jjp h GLU 94 CO 0.00 0.91 0.39 1.25 -1.40 0.00 0.00 179.01 180.16 2jjp h HIS 95 N 1.04 0.66 -0.37 4.33 2.76 -1.38 -1.17 115.15 121.02 2jjp h HIS 95 Ca 0.23 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.42 2jjp h HIS 95 Cb 0.27 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 2jjp h HIS 95 CO 0.02 0.04 0.15 -0.09 -1.30 0.00 0.00 177.93 176.75 2jjp h ARG 96 N 0.47 0.55 -0.20 5.26 1.12 -1.64 0.18 114.38 120.12 2jjp h ARG 96 Ca 0.51 -0.10 -0.17 0.00 -1.11 0.00 0.00 59.98 59.11 2jjp h ARG 96 Cb 0.88 -0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 30.74 2jjp h ARG 96 CO -0.46 0.53 -0.57 0.00 -3.11 0.00 0.00 179.97 176.35 2jjp h ALA 97 N 1.00 0.61 0.04 2.80 0.00 -1.46 -1.97 119.26 120.27 2jjp h ALA 97 Ca 0.12 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jjp h ALA 97 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jjp h ALA 97 CO -0.01 0.69 -0.02 1.25 0.00 0.00 0.00 179.25 181.16 2jjp h LEU 98 N 0.49 -0.04 -0.71 0.00 5.85 -1.02 -2.31 115.31 117.56 2jjp h LEU 98 Ca 0.00 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.55 2jjp h LEU 98 Cb 1.14 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 2jjp h LEU 98 CO 0.11 0.23 0.38 -0.09 -0.34 0.00 0.00 178.44 178.73 2jjp h ARG 99 N -0.32 0.65 -0.97 1.25 9.65 -0.60 -0.67 114.38 123.37 2jjp h ARG 99 Ca -0.01 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.87 2jjp h ARG 99 Cb 0.29 -0.15 -0.06 0.00 -1.39 0.00 0.00 29.97 28.67 2jjp h ARG 99 CO 0.01 0.43 0.63 0.87 2.80 0.00 0.00 179.97 184.71 2jjp h LYS 100 N 0.67 1.18 -0.14 0.20 1.57 -1.27 -0.09 116.57 118.69 2jjp h LYS 100 Ca 0.33 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 2jjp h LYS 100 Cb 0.27 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jjp h LYS 100 CO -0.22 0.78 -0.04 0.28 -0.57 0.00 0.00 179.45 179.67 2jjp h VAL 101 N 1.21 1.30 -0.17 0.50 2.07 -0.56 -2.67 116.25 117.93 2jjp h VAL 101 Ca 0.39 -1.01 -0.12 0.00 0.82 0.00 0.00 66.70 66.78 2jjp h VAL 101 Cb 0.02 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2jjp h VAL 101 CO -0.13 0.30 -0.35 -0.37 0.02 0.00 0.00 177.57 177.04 2jjp h VAL 102 N -0.04 1.35 -0.65 2.57 -1.51 -1.23 -2.84 116.25 113.89 2jjp h VAL 102 Ca 0.03 -1.59 0.17 0.00 -1.23 0.00 0.00 66.70 64.08 2jjp h VAL 102 Cb 0.48 1.94 -0.03 0.00 -2.13 0.00 0.00 31.29 31.55 2jjp h VAL 102 CO 0.02 0.48 0.46 0.77 -1.23 0.00 0.00 177.57 178.07 2jjp h SER 103 N 0.18 0.10 0.98 4.19 4.64 -1.05 0.86 113.55 123.45 2jjp h SER 103 Ca 0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2jjp h SER 103 Cb 0.94 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2jjp h SER 103 CO 0.08 0.05 -0.06 0.77 -0.87 0.00 0.00 176.83 176.79 2jjp h SER 104 N 0.10 0.00 0.13 4.97 4.64 -1.22 -3.06 113.55 119.11 2jjp h SER 104 Ca 0.32 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.27 2jjp h SER 104 Cb 1.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2jjp h SER 104 CO -0.03 0.06 -2.02 0.00 -0.87 0.00 0.00 176.83 173.97 2jjp n ALA 105 N -2.13 0.93 -3.13 5.18 0.00 -0.25 -4.75 120.51 116.36 2jjp n ALA 105 Ca 0.00 -0.62 -0.45 0.00 0.00 0.00 0.00 53.44 52.38 2jjp n ALA 105 Cb 0.34 -0.65 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 2jjp n ALA 105 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2jjp s PHE 106 N -2.56 3.82 0.22 0.00 5.36 0.13 -4.93 117.98 120.02 2jjp s PHE 106 Ca -0.23 -2.33 0.07 0.00 -0.96 0.00 0.00 56.93 53.48 2jjp s PHE 106 Cb 0.07 -4.09 -0.04 0.00 -0.34 0.00 0.00 43.02 38.62 2jjp s PHE 106 CO 0.76 -1.20 0.14 0.95 -1.46 0.00 0.00 175.22 174.42 2jjp s THR 107 N 0.37 4.33 0.14 0.12 -4.23 -1.26 -4.69 115.64 110.43 2jjp s THR 107 Ca 0.36 -1.33 -0.26 0.00 -1.18 0.00 0.00 61.69 59.28 2jjp s THR 107 Cb -0.06 -3.28 -0.01 0.00 1.34 0.00 0.00 72.50 70.49 2jjp s THR 107 CO -0.04 -0.25 1.60 -0.65 -0.54 0.00 0.00 174.62 174.74 2jjp h PRO 108 N 1.94 -0.37 -0.92 3.99 0.11 -1.95 -0.75 132.00 134.05 2jjp h PRO 108 Ca -0.48 0.03 0.27 0.00 0.11 0.00 0.00 66.00 65.93 2jjp h PRO 108 Cb 1.22 0.08 -0.16 0.00 0.11 0.00 0.00 31.00 32.26 2jjp h PRO 108 CO 0.61 -0.25 0.23 0.00 -0.21 0.00 0.00 178.00 178.39 2jjp h ARG 109 N -0.38 0.14 -0.54 1.05 -0.00 -1.98 0.25 114.38 112.91 2jjp h ARG 109 Ca 0.11 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.98 59.47 2jjp h ARG 109 Cb 0.57 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 30.49 2jjp h ARG 109 CO -0.43 0.09 -0.12 1.15 0.00 0.00 0.00 179.97 180.66 2jjp h THR 110 N 0.14 1.27 0.08 2.04 2.02 -1.55 -1.70 112.91 115.21 2jjp h THR 110 Ca 0.60 -1.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 2jjp h THR 110 Cb 1.29 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 2jjp h THR 110 CO -0.73 0.46 -0.04 0.40 0.37 0.00 0.00 175.52 175.98 2jjp h ILE 111 N 0.92 1.17 -0.68 3.11 1.08 -0.15 -3.35 117.51 119.61 2jjp h ILE 111 Ca 0.14 -1.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.58 2jjp h ILE 111 Cb 0.70 1.80 -0.03 0.00 -3.07 0.00 0.00 36.82 36.22 2jjp h ILE 111 CO 0.05 0.24 0.33 0.77 -0.69 0.00 0.00 178.15 178.86 2jjp h SER 112 N -0.58 0.87 0.12 1.72 4.64 -0.51 -0.47 113.55 119.35 2jjp h SER 112 Ca -0.01 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2jjp h SER 112 Cb 0.48 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2jjp h SER 112 CO 0.02 0.73 0.00 0.47 -0.87 0.00 0.00 176.83 177.18 2jjp n ASP 113 N -4.34 0.37 0.10 4.97 8.00 -0.65 -1.85 116.55 123.15 2jjp n ASP 113 Ca 0.06 0.65 0.12 0.00 0.71 0.00 0.00 54.79 56.34 2jjp n ASP 113 Cb 0.13 -0.71 0.45 0.00 -0.02 0.00 0.00 41.12 40.97 2jjp n ASP 113 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2jjp n LEU 114 N -1.98 0.67 -0.11 0.64 4.77 -0.18 -4.29 117.00 116.51 2jjp n LEU 114 Ca -0.00 0.60 -0.05 0.00 -0.03 0.00 0.00 56.01 56.53 2jjp n LEU 114 Cb 0.06 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 40.73 2jjp n LEU 114 CO 0.08 -0.31 0.75 -0.08 -1.33 0.00 0.00 177.39 176.50 2jjp h GLU 115 N 0.00 -0.08 -0.72 3.23 4.81 -1.53 -0.20 114.58 120.10 2jjp h GLU 115 Ca 0.00 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2jjp h GLU 115 Cb 0.56 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 2jjp h GLU 115 CO 0.00 -0.05 0.46 -1.35 -0.73 0.00 0.00 179.01 177.34 2jjp h PRO 116 N -0.08 0.89 -0.63 0.92 0.11 -1.85 -0.71 132.00 130.64 2jjp h PRO 116 Ca 0.19 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 2jjp h PRO 116 Cb 0.38 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.26 2jjp h PRO 116 CO -0.45 0.59 0.13 -0.09 -0.21 0.00 0.00 178.00 177.97 2jjp h ARG 117 N 0.91 1.02 -0.65 1.05 9.65 -1.70 0.30 114.38 124.96 2jjp h ARG 117 Ca 0.28 -0.26 0.08 0.00 -1.10 0.00 0.00 59.98 58.98 2jjp h ARG 117 Cb -0.03 -0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 28.36 2jjp h ARG 117 CO -0.09 0.93 0.32 0.82 2.80 0.00 0.00 179.97 184.75 2jjp h ILE 118 N 0.93 0.88 -0.33 1.20 2.04 -0.54 -1.36 117.51 120.34 2jjp h ILE 118 Ca 0.19 -0.20 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 2jjp h ILE 118 Cb 0.39 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2jjp h ILE 118 CO 0.01 0.10 -0.45 -0.09 0.00 0.00 0.00 178.15 177.72 2jjp h ARG 119 N 0.57 0.88 0.68 2.37 2.43 -0.71 -1.97 114.38 118.64 2jjp h ARG 119 Ca 0.31 -0.51 -0.03 0.00 -0.81 0.00 0.00 59.98 58.94 2jjp h ARG 119 Cb 0.29 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2jjp h ARG 119 CO -0.24 1.15 -0.48 0.22 -1.51 0.00 0.00 179.97 179.12 2jjp h ASP 120 N 0.68 -1.23 -0.43 -3.80 3.58 -0.65 0.57 116.42 115.14 2jjp h ASP 120 Ca 0.04 0.08 0.09 0.00 0.42 0.00 0.00 57.03 57.65 2jjp h ASP 120 Cb 1.05 0.37 -0.09 0.00 1.72 0.00 0.00 39.33 42.39 2jjp h ASP 120 CO 0.11 -0.70 -0.15 0.58 -2.88 0.00 0.00 179.24 176.19 2jjp h VAL 121 N -1.10 0.48 -0.59 2.25 2.07 -1.33 -1.49 116.25 116.53 2jjp h VAL 121 Ca -0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.44 2jjp h VAL 121 Cb 0.90 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2jjp h VAL 121 CO 0.06 0.00 0.39 0.74 0.02 0.00 0.00 177.57 178.77 2jjp h THR 122 N -0.06 1.14 -0.38 2.57 2.02 -1.24 -0.62 112.91 116.34 2jjp h THR 122 Ca 0.21 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 2jjp h THR 122 Cb 0.38 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2jjp h THR 122 CO -0.48 0.14 0.07 -0.09 0.37 0.00 0.00 175.52 175.53 2jjp h ARG 123 N 0.79 0.63 -0.70 6.66 2.43 -0.57 -1.82 114.38 121.79 2jjp h ARG 123 Ca 0.22 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 2jjp h ARG 123 Cb -0.08 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 2jjp h ARG 123 CO -0.05 0.69 0.15 0.77 -1.51 0.00 0.00 179.97 180.01 2jjp h SER 124 N 0.48 1.08 -0.43 -3.80 0.02 -1.14 -1.39 113.55 108.37 2jjp h SER 124 Ca 0.12 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.75 2jjp h SER 124 Cb 0.36 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2jjp h SER 124 CO 0.01 1.05 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.66 2jjp h LEU 125 N 1.07 0.76 -0.81 5.07 3.38 -0.92 -3.00 115.31 120.87 2jjp h LEU 125 Ca 0.22 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 2jjp h LEU 125 Cb 0.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2jjp h LEU 125 CO 0.01 0.89 -0.52 -0.07 0.09 0.00 0.00 178.44 178.84 2jjp h LEU 126 N 0.61 0.21 -2.46 1.67 3.38 -1.30 -3.12 115.31 114.31 2jjp h LEU 126 Ca 0.12 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2jjp h LEU 126 Cb 0.51 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2jjp h LEU 126 CO 0.02 0.69 0.13 0.00 0.09 0.00 0.00 178.44 179.38 2jjp h ALA 127 N 1.31 1.44 -0.05 1.53 0.00 -1.10 -2.13 119.26 120.26 2jjp h ALA 127 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jjp h ALA 127 Cb 0.97 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2jjp h ALA 127 CO 0.08 -0.16 0.00 -3.47 0.00 0.00 0.00 179.25 175.69 2jjp n ASP 128 N -3.44 2.47 0.15 0.00 2.03 -1.18 -4.71 116.55 111.86 2jjp n ASP 128 Ca -0.01 -1.72 0.03 0.00 0.52 0.00 0.00 54.79 53.60 2jjp n ASP 128 Cb 0.22 -0.02 0.10 0.00 -0.72 0.00 0.00 41.12 40.69 2jjp n ASP 128 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jjp h ALA 129 N 3.30 0.73 0.00 -1.67 0.00 -1.48 -3.50 119.26 116.65 2jjp h ALA 129 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jjp h ALA 129 Cb 0.71 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2jjp h ALA 129 CO 0.00 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2jjp n GLY 130 N 0.98 -1.73 0.35 0.00 0.00 -1.26 -4.50 105.19 99.04 2jjp n GLY 130 Ca 0.01 -1.57 0.04 0.00 0.00 0.00 0.00 46.02 44.50 2jjp n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jjp n GLU 131 N 0.00 0.24 -3.40 1.61 1.02 -1.26 -4.87 120.64 113.97 2jjp n GLU 131 Ca 0.00 -1.03 -0.14 0.00 -0.02 0.00 0.00 57.16 55.97 2jjp n GLU 131 Cb 0.00 -1.17 -0.10 0.00 -0.02 0.00 0.00 31.44 30.15 2jjp n GLU 131 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2jjp s SER 132 N -0.74 1.01 0.26 1.62 0.15 -1.26 -1.22 113.70 113.52 2jjp s SER 132 Ca 0.10 -0.24 -0.15 0.00 0.70 0.00 0.00 55.95 56.37 2jjp s SER 132 Cb 0.07 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 65.10 2jjp s SER 132 CO 0.11 -0.34 0.54 0.72 1.20 0.00 0.00 173.24 175.47 2jjp s PHE 133 N 2.43 0.24 -0.35 3.44 -0.12 -1.04 -4.98 117.98 117.60 2jjp s PHE 133 Ca 0.10 -0.63 -0.25 0.00 -0.05 0.00 0.00 56.93 56.10 2jjp s PHE 133 Cb -0.15 0.31 0.01 0.00 -0.63 0.00 0.00 43.02 42.57 2jjp s PHE 133 CO -0.21 -1.06 0.87 0.34 -0.05 0.00 0.00 175.22 175.12 2jjp s ASP 134 N -3.00 6.66 0.43 1.98 3.68 -1.26 -0.08 116.67 125.09 2jjp s ASP 134 Ca 0.20 0.58 0.13 0.00 2.13 0.00 0.00 52.55 55.58 2jjp s ASP 134 Cb -0.02 -2.44 1.01 0.00 -1.45 0.00 0.00 42.92 40.02 2jjp s ASP 134 CO 0.09 -0.77 2.01 0.25 0.13 0.00 0.00 175.17 176.87 2jjp h LEU 135 N 9.85 0.37 0.08 -1.34 5.85 -1.25 -0.59 115.31 128.28 2jjp h LEU 135 Ca -0.24 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 2jjp h LEU 135 Cb 1.08 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2jjp h LEU 135 CO 0.95 0.23 -0.04 0.58 -0.34 0.00 0.00 178.44 179.82 2jjp h VAL 136 N 0.41 1.18 -0.42 1.05 2.07 -1.91 0.65 116.25 119.29 2jjp h VAL 136 Ca 0.24 -1.26 -0.09 0.00 0.82 0.00 0.00 66.70 66.41 2jjp h VAL 136 Cb 0.40 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 2jjp h VAL 136 CO -0.06 0.29 -0.09 0.44 0.02 0.00 0.00 177.57 178.17 2jjp h ASP 137 N -0.71 0.73 0.04 0.57 3.45 -1.88 0.12 116.42 118.73 2jjp h ASP 137 Ca -0.01 -0.20 -0.11 0.00 0.43 0.00 0.00 57.03 57.13 2jjp h ASP 137 Cb 0.57 -0.20 0.01 0.00 -0.56 0.00 0.00 39.33 39.15 2jjp h ASP 137 CO 0.02 0.85 -0.47 0.58 -1.57 0.00 0.00 179.24 178.65 2jjp h VAL 138 N 0.68 1.53 0.00 -1.35 2.07 -1.15 -3.41 116.25 114.63 2jjp h VAL 138 Ca 0.12 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.45 2jjp h VAL 138 Cb 0.55 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 2jjp h VAL 138 CO 0.03 0.61 -0.38 -0.11 0.02 0.00 0.00 177.57 177.75 2jjp n LEU 139 N -4.33 0.29 0.01 2.57 7.94 -0.49 -4.65 117.00 118.34 2jjp n LEU 139 Ca -0.11 0.11 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 2jjp n LEU 139 Cb 0.63 -0.04 0.40 0.00 0.53 0.00 0.00 43.42 44.95 2jjp n LEU 139 CO 0.43 -0.43 1.09 0.00 -1.11 0.00 0.00 177.39 177.37 2jjp h ALA 140 N 0.00 1.63 0.00 1.96 0.00 -0.81 -1.35 119.26 120.69 2jjp h ALA 140 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jjp h ALA 140 Cb 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jjp h ALA 140 CO 0.00 0.31 -0.12 0.35 0.00 0.00 0.00 179.25 179.79 2jjp h PHE 141 N 0.51 0.00 0.00 0.00 3.57 -0.98 -3.24 116.94 116.80 2jjp h PHE 141 Ca 0.13 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2jjp h PHE 141 Cb 0.05 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 2jjp h PHE 141 CO 0.00 0.00 -0.15 -1.00 -2.23 0.00 0.00 178.31 174.93 2jjp h PRO 142 N -0.80 0.00 0.88 6.41 0.13 -1.72 -3.08 132.00 133.82 2jjp h PRO 142 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2jjp h PRO 142 Cb 0.12 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.25 2jjp h PRO 142 CO 0.00 0.15 -0.42 1.25 -0.23 0.00 0.00 178.00 178.75 2jjp h LEU 143 N 0.00 -1.00 -1.06 1.56 5.85 -1.48 -1.99 115.31 117.20 2jjp h LEU 143 Ca -0.00 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 2jjp h LEU 143 Cb 0.35 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2jjp h LEU 143 CO 0.02 -0.68 -0.20 1.55 -0.34 0.00 0.00 178.44 178.78 2jjp h PRO 144 N -1.24 0.42 -0.10 5.25 0.13 -1.76 -1.43 132.00 133.28 2jjp h PRO 144 Ca -0.12 -0.14 0.03 0.00 -0.87 0.00 0.00 66.00 64.90 2jjp h PRO 144 Cb 0.91 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.97 2jjp h PRO 144 CO 0.20 0.61 -0.10 0.28 -0.23 0.00 0.00 178.00 178.76 2jjp h VAL 145 N 0.38 0.72 -0.54 1.56 2.07 -1.55 0.79 116.25 119.69 2jjp h VAL 145 Ca 0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.62 2jjp h VAL 145 Cb 0.58 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2jjp h VAL 145 CO 0.04 0.00 0.29 0.74 0.02 0.00 0.00 177.57 178.66 2jjp h THR 146 N -0.12 0.99 -0.23 2.57 2.02 -1.22 -2.23 112.91 114.69 2jjp h THR 146 Ca 0.07 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 2jjp h THR 146 Cb 0.22 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2jjp h THR 146 CO -0.17 0.10 -0.12 0.40 0.37 0.00 0.00 175.52 176.10 2jjp h ILE 147 N 0.57 1.30 -0.50 3.11 1.08 -0.67 -2.53 117.51 119.87 2jjp h ILE 147 Ca 0.23 -1.20 -0.11 0.00 -0.39 0.00 0.00 64.86 63.39 2jjp h ILE 147 Cb 0.10 1.59 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 2jjp h ILE 147 CO -0.14 0.37 -0.13 0.58 -0.69 0.00 0.00 178.15 178.14 2jjp h VAL 148 N 0.21 1.27 -0.35 1.67 2.07 -0.84 0.60 116.25 120.87 2jjp h VAL 148 Ca 0.05 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 2jjp h VAL 148 Cb 0.62 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2jjp h VAL 148 CO 0.04 0.44 0.20 0.00 0.02 0.00 0.00 177.57 178.27 2jjp h ALA 149 N 0.99 0.45 -0.31 1.67 0.00 -1.43 0.94 119.26 121.58 2jjp h ALA 149 Ca 0.13 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2jjp h ALA 149 Cb 0.68 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2jjp h ALA 149 CO 0.05 -0.03 -0.23 0.93 0.00 0.00 0.00 179.25 179.97 2jjp h GLU 150 N 0.45 0.60 -0.17 0.00 5.08 -1.16 0.30 114.58 119.68 2jjp h GLU 150 Ca 0.12 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2jjp h GLU 150 Cb 0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2jjp h GLU 150 CO -0.02 0.78 0.06 1.25 -1.00 0.00 0.00 179.01 180.08 2jjp h LEU 151 N 0.53 0.24 -1.39 1.33 5.85 -0.66 -2.90 115.31 118.30 2jjp h LEU 151 Ca 0.08 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2jjp h LEU 151 Cb 0.68 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2jjp h LEU 151 CO 0.05 0.35 0.00 -0.07 -0.34 0.00 0.00 178.44 178.43 2jjp h LEU 152 N 0.11 0.00 0.00 2.25 3.38 -0.39 0.70 115.31 121.36 2jjp h LEU 152 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jjp h LEU 152 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2jjp h LEU 152 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2jjp n GLY 153 N -0.12 0.74 3.91 0.83 0.00 0.66 -3.05 105.19 108.17 2jjp n GLY 153 Ca 0.01 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 2jjp n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jjp s LEU 154 N 0.00 4.16 0.88 0.99 1.43 0.71 -4.99 118.68 121.86 2jjp s LEU 154 Ca 0.00 0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 53.55 2jjp s LEU 154 Cb 0.00 -3.34 0.12 0.00 0.03 0.00 0.00 46.19 43.00 2jjp s LEU 154 CO 0.00 -0.10 1.11 -2.16 0.23 0.00 0.00 176.35 175.43 2jjp s PRO 155 N -3.34 1.32 0.48 1.29 0.04 -1.26 -4.26 135.00 129.26 2jjp s PRO 155 Ca 0.41 1.26 -0.24 0.00 0.04 0.00 0.00 61.00 62.47 2jjp s PRO 155 Cb -0.11 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 2jjp s PRO 155 CO 0.29 -2.33 1.34 -2.14 0.04 0.00 0.00 177.00 174.20 2jjp s PRO 156 N -4.76 3.54 0.30 0.56 0.02 -1.26 -4.96 135.00 128.44 2jjp s PRO 156 Ca 0.64 2.21 0.03 0.00 0.02 0.00 0.00 61.00 63.90 2jjp s PRO 156 Cb -0.20 -2.49 -0.03 0.00 0.02 0.00 0.00 34.50 31.80 2jjp s PRO 156 CO 0.58 -0.86 0.46 -1.64 -0.33 0.00 0.00 177.00 175.21 2jjp s MET 157 N -2.62 3.46 0.08 5.54 -1.94 -1.26 -5.01 119.30 117.56 2jjp s MET 157 Ca 0.65 -0.53 0.14 0.00 -1.71 0.00 0.00 55.69 54.24 2jjp s MET 157 Cb -0.39 -2.77 -0.13 0.00 2.01 0.00 0.00 34.83 33.55 2jjp s MET 157 CO 0.49 0.28 0.95 0.22 -0.01 0.00 0.00 175.02 176.94 2jjp h ASP 158 N 0.95 0.00 -3.53 3.03 3.58 -2.07 -3.47 116.42 114.91 2jjp h ASP 158 Ca -0.51 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.42 2jjp h ASP 158 Cb 1.22 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.30 2jjp h ASP 158 CO 0.61 0.70 0.60 -1.00 -2.88 0.00 0.00 179.24 177.27 2jjp s HIS 159 N -2.83 3.33 -0.30 0.28 3.76 -1.26 -5.01 115.29 113.25 2jjp s HIS 159 Ca -0.02 1.37 -0.15 0.00 -0.15 0.00 0.00 55.06 56.12 2jjp s HIS 159 Cb 0.08 -3.52 0.18 0.00 1.11 0.00 0.00 32.58 30.44 2jjp s HIS 159 CO 0.80 -1.49 1.15 -2.00 -0.85 0.00 0.00 174.74 172.35 2jjp s GLU 160 N -0.52 0.05 0.00 1.40 2.12 -1.26 -4.98 118.70 115.50 2jjp s GLU 160 Ca 0.53 0.03 0.19 0.00 0.36 0.00 0.00 54.97 56.09 2jjp s GLU 160 Cb -0.35 0.02 0.32 0.00 0.26 0.00 0.00 34.13 34.38 2jjp s GLU 160 CO 0.40 -0.08 1.12 1.04 -0.54 0.00 0.00 175.26 177.19 2jjp n GLN 161 N 4.83 0.00 -3.11 4.30 6.02 -1.26 -4.93 117.38 123.22 2jjp n GLN 161 Ca 0.10 -1.73 -0.02 0.00 -0.01 0.00 0.00 57.00 55.33 2jjp n GLN 161 Cb 0.59 0.07 0.00 0.00 1.02 0.00 0.00 30.24 31.92 2jjp n GLN 161 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2jjp n PHE 162 N 0.37 -2.91 -3.21 1.08 7.35 -1.26 -4.53 117.46 114.35 2jjp n PHE 162 Ca -0.01 1.11 -0.08 0.00 -0.76 0.00 0.00 57.45 57.72 2jjp n PHE 162 Cb 1.03 -4.03 0.00 0.00 0.35 0.00 0.00 39.48 36.84 2jjp n PHE 162 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2jjp n GLY 163 N -1.75 -1.21 0.30 7.13 0.00 -1.26 -4.24 105.19 104.16 2jjp n GLY 163 Ca -0.02 0.62 0.10 0.00 0.00 0.00 0.00 46.02 46.72 2jjp n GLY 163 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jjp h ASP 164 N 0.54 -0.16 0.58 1.61 2.03 -1.93 3.45 116.42 122.54 2jjp h ASP 164 Ca -0.16 0.20 -0.28 0.00 -0.73 0.00 0.00 57.03 56.06 2jjp h ASP 164 Cb 1.10 0.31 -0.03 0.00 -0.83 0.00 0.00 39.33 39.89 2jjp h ASP 164 CO 0.30 -0.18 -1.48 4.11 -1.03 0.00 0.00 179.24 180.96 2jjp h TRP 165 N 0.16 0.22 0.00 4.15 0.09 -1.98 -2.65 115.95 115.92 2jjp h TRP 165 Ca 0.50 -0.16 -0.13 0.00 0.09 0.00 0.00 58.89 59.19 2jjp h TRP 165 Cb 0.98 -0.01 -0.02 0.00 0.08 0.00 0.00 29.16 30.19 2jjp h TRP 165 CO -0.34 1.20 -0.63 0.66 0.09 0.00 0.00 178.44 179.42 2jjp h SER 166 N 0.03 0.00 -0.18 0.11 4.64 -1.60 -1.20 113.55 115.36 2jjp h SER 166 Ca -0.21 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.06 2jjp h SER 166 Cb 1.96 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.04 2jjp h SER 166 CO 0.13 0.63 -0.08 1.23 -0.87 0.00 0.00 176.83 177.87 2jjp h GLY 167 N 2.03 0.41 0.53 -0.77 0.00 0.63 -2.35 103.07 103.55 2jjp h GLY 167 Ca -0.01 -0.36 0.12 0.00 0.00 0.00 0.00 47.33 47.08 2jjp h GLY 167 CO 0.08 0.33 0.61 0.00 0.00 0.00 0.00 176.54 177.57 2jjp h ALA 168 N 0.69 1.59 0.03 3.60 0.00 -1.38 0.24 119.26 124.02 2jjp h ALA 168 Ca 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jjp h ALA 168 Cb 0.56 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jjp h ALA 168 CO 0.03 0.18 -0.02 1.25 0.00 0.00 0.00 179.25 180.69 2jjp h LEU 169 N 0.93 -0.04 -0.30 0.00 7.12 -1.12 -2.65 115.31 119.26 2jjp h LEU 169 Ca 0.47 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.34 2jjp h LEU 169 Cb 0.50 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 2jjp h LEU 169 CO -0.24 0.12 0.00 0.58 -0.13 0.00 0.00 178.44 178.78 2jjp h VAL 170 N -0.20 0.00 -0.55 1.05 2.07 -1.10 -2.97 116.25 114.55 2jjp h VAL 170 Ca -0.00 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2jjp h VAL 170 Cb 0.18 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2jjp h VAL 170 CO 0.01 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.93 2jjp n ASP 171 N -2.82 5.25 -4.72 0.57 2.03 0.80 -4.52 116.55 113.14 2jjp n ASP 171 Ca 0.04 -2.79 -0.42 0.00 0.52 0.00 0.00 54.79 52.14 2jjp n ASP 171 Cb 0.44 -0.66 -0.00 0.00 -0.72 0.00 0.00 41.12 40.19 2jjp n ASP 171 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jjp n ILE 172 N 0.67 2.12 -1.70 5.18 0.13 -1.01 -4.81 119.36 119.94 2jjp n ILE 172 Ca 0.26 -0.50 -0.29 0.00 -1.10 0.00 0.00 62.75 61.11 2jjp n ILE 172 Cb 1.08 -1.67 -0.04 0.00 -0.84 0.00 0.00 39.64 38.17 2jjp n ILE 172 CO 0.00 0.00 0.00 -1.58 2.80 0.00 0.00 176.55 177.77 2jjp s GLN 173 N -2.00 2.10 -0.15 9.51 0.74 -1.26 -4.87 119.66 123.72 2jjp s GLN 173 Ca 0.56 0.82 -0.12 0.00 0.05 0.00 0.00 55.36 56.67 2jjp s GLN 173 Cb -0.53 -4.66 0.04 0.00 1.10 0.00 0.00 33.01 28.96 2jjp s GLN 173 CO 0.62 -3.52 0.39 1.41 -0.55 0.00 0.00 175.29 173.64 2jjp s MET 174 N 8.08 0.43 0.00 1.67 1.75 -1.26 -4.88 119.30 125.09 2jjp s MET 174 Ca 0.88 0.62 0.00 0.00 -1.25 0.00 0.00 55.69 55.93 2jjp s MET 174 Cb -0.14 0.13 0.00 0.00 2.84 0.00 0.00 34.83 37.66 2jjp s MET 174 CO 0.17 -0.09 0.00 -3.47 -0.65 0.00 0.00 175.02 170.98 2jjp n ASP 175 N 3.35 0.00 -4.44 1.11 2.03 -1.26 -5.07 116.55 112.27 2jjp n ASP 175 Ca -0.17 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.70 2jjp n ASP 175 Cb 0.56 0.05 -0.06 0.00 -0.72 0.00 0.00 41.12 40.95 2jjp n ASP 175 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jjp s ASP 176 N -3.81 6.22 0.09 1.67 2.15 -1.26 -4.94 116.67 116.79 2jjp s ASP 176 Ca 0.00 -0.96 0.15 0.00 0.43 0.00 0.00 52.55 52.18 2jjp s ASP 176 Cb 0.00 -2.30 0.66 0.00 -0.30 0.00 0.00 42.92 40.99 2jjp s ASP 176 CO 0.00 -0.94 1.48 -2.65 -0.17 0.00 0.00 175.17 172.89 2jjp n PRO 177 N 6.26 0.06 0.01 4.34 -0.02 -1.26 -1.79 135.00 142.59 2jjp n PRO 177 Ca -0.07 0.35 0.13 0.00 -2.02 0.00 0.00 63.50 61.89 2jjp n PRO 177 Cb 0.45 -1.62 0.55 0.00 -0.02 0.00 0.00 33.50 32.85 2jjp n PRO 177 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2jjp n THR 178 N -1.74 0.24 -2.07 3.45 -2.24 -1.26 -4.82 114.28 105.84 2jjp n THR 178 Ca 0.02 0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 2jjp n THR 178 Cb 0.16 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 67.75 2jjp n THR 178 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jjp s ASP 179 N -3.11 6.27 0.40 3.42 3.68 -0.74 -4.93 116.67 121.67 2jjp s ASP 179 Ca 0.12 1.59 0.09 0.00 2.13 0.00 0.00 52.55 56.48 2jjp s ASP 179 Cb 0.17 -2.53 0.87 0.00 -1.45 0.00 0.00 42.92 39.97 2jjp s ASP 179 CO 0.48 -1.35 2.01 -0.65 0.13 0.00 0.00 175.17 175.79 2jjp h PRO 180 N 11.20 0.56 -0.52 4.34 0.11 -1.90 -2.89 132.00 142.90 2jjp h PRO 180 Ca -0.34 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.83 2jjp h PRO 180 Cb 1.16 -0.13 -0.11 0.00 0.11 0.00 0.00 31.00 32.04 2jjp h PRO 180 CO 1.01 0.37 -0.30 0.00 -0.21 0.00 0.00 178.00 178.87 2jjp h ALA 181 N 1.69 -0.02 -0.78 -0.75 0.00 -1.98 -2.89 119.26 114.53 2jjp h ALA 181 Ca 0.23 0.15 0.22 0.00 0.00 0.00 0.00 54.91 55.52 2jjp h ALA 181 Cb 0.20 0.70 -0.15 0.00 0.00 0.00 0.00 17.79 18.54 2jjp h ALA 181 CO -0.06 -0.65 0.02 -0.11 0.00 0.00 0.00 179.25 178.45 2jjp n LEU 182 N -5.43 -0.09 -0.26 0.00 7.94 -1.09 0.19 117.00 118.27 2jjp n LEU 182 Ca 0.03 1.33 0.06 0.00 -1.11 0.00 0.00 56.01 56.33 2jjp n LEU 182 Cb 0.34 -0.49 0.19 0.00 0.53 0.00 0.00 43.42 44.00 2jjp n LEU 182 CO 0.04 -1.35 0.98 0.00 -1.11 0.00 0.00 177.39 175.95 2jjp h ALA 183 N 1.57 1.04 -0.30 1.96 0.00 -1.70 -1.95 119.26 119.88 2jjp h ALA 183 Ca 0.48 0.14 -0.18 0.00 0.00 0.00 0.00 54.91 55.35 2jjp h ALA 183 Cb 0.99 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jjp h ALA 183 CO -0.74 -0.27 -0.52 1.49 0.00 0.00 0.00 179.25 179.21 2jjp h GLU 184 N 0.37 0.89 -0.80 0.00 4.81 0.20 -1.29 114.58 118.76 2jjp h GLU 184 Ca 0.42 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2jjp h GLU 184 Cb 0.69 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 2jjp h GLU 184 CO -0.45 1.19 0.51 0.00 -0.73 0.00 0.00 179.01 179.53 2jjp h ARG 185 N 0.69 1.07 0.31 1.92 2.47 -1.05 0.23 114.38 120.02 2jjp h ARG 185 Ca 0.02 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 2jjp h ARG 185 Cb 1.13 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 29.21 2jjp h ARG 185 CO 0.12 0.73 -0.20 0.82 0.56 0.00 0.00 179.97 182.00 2jjp h ILE 186 N 1.09 0.57 -0.89 2.04 1.08 -1.30 -3.06 117.51 117.04 2jjp h ILE 186 Ca 0.29 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.80 2jjp h ILE 186 Cb -0.09 0.57 -0.05 0.00 -3.07 0.00 0.00 36.82 34.18 2jjp h ILE 186 CO -0.06 0.00 0.58 0.00 -0.69 0.00 0.00 178.15 177.98 2jjp h ALA 187 N 0.16 1.45 -0.74 1.87 0.00 -0.94 -2.16 119.26 118.90 2jjp h ALA 187 Ca -0.03 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.97 2jjp h ALA 187 Cb 0.42 -0.31 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 2jjp h ALA 187 CO 0.02 0.45 0.30 0.22 0.00 0.00 0.00 179.25 180.25 2jjp h ASP 188 N 1.09 0.29 -0.11 0.00 -0.00 -0.49 -1.51 116.42 115.70 2jjp h ASP 188 Ca 0.36 0.10 -0.06 0.00 -0.00 0.00 0.00 57.03 57.43 2jjp h ASP 188 Cb 0.05 0.07 -0.00 0.00 -0.00 0.00 0.00 39.33 39.45 2jjp h ASP 188 CO -0.11 0.12 -0.18 0.58 -0.00 0.00 0.00 179.24 179.65 2jjp h VAL 189 N 0.46 1.38 0.00 2.25 2.07 -1.33 -3.38 116.25 117.69 2jjp h VAL 189 Ca 0.40 -1.42 -0.19 0.00 0.82 0.00 0.00 66.70 66.31 2jjp h VAL 189 Cb 0.58 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 2jjp h VAL 189 CO -0.38 0.41 -0.90 -0.07 0.02 0.00 0.00 177.57 176.65 2jjp h LEU 190 N -0.10 0.00 -0.66 2.57 3.38 -1.10 -3.37 115.31 116.03 2jjp h LEU 190 Ca 0.01 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.06 2jjp h LEU 190 Cb 0.74 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 2jjp h LEU 190 CO 0.04 0.90 0.32 0.78 0.09 0.00 0.00 178.44 180.57 2jjp h ASN 191 N 0.00 0.42 -0.50 -0.43 4.21 -1.47 0.25 115.58 118.06 2jjp h ASN 191 Ca -0.01 0.05 -0.05 0.00 1.21 0.00 0.00 56.30 57.51 2jjp h ASN 191 Cb 1.66 -0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 38.81 2jjp h ASN 191 CO 0.12 0.26 0.16 1.55 -1.29 0.00 0.00 177.43 178.23 2jjp h PRO 192 N 0.57 0.84 -0.10 0.81 0.13 -1.81 -1.76 132.00 130.68 2jjp h PRO 192 Ca 0.32 -0.16 -0.07 0.00 -0.87 0.00 0.00 66.00 65.22 2jjp h PRO 192 Cb 0.31 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.30 2jjp h PRO 192 CO -0.24 0.73 -0.21 1.25 -0.23 0.00 0.00 178.00 179.30 2jjp h LEU 193 N 0.81 0.35 -1.66 1.56 5.85 -1.62 -2.21 115.31 118.38 2jjp h LEU 193 Ca 0.18 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.38 2jjp h LEU 193 Cb 0.26 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2jjp h LEU 193 CO -0.01 0.86 0.30 0.74 -0.34 0.00 0.00 178.44 179.99 2jjp h THR 194 N -0.14 1.00 -0.08 1.05 2.02 -0.52 -1.55 112.91 114.68 2jjp h THR 194 Ca 0.00 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 2jjp h THR 194 Cb 0.80 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2jjp h THR 194 CO 0.05 0.08 -0.27 0.00 0.37 0.00 0.00 175.52 175.74 2jjp h ALA 195 N 1.75 0.14 -0.89 6.16 0.00 -1.20 -0.93 119.26 124.28 2jjp h ALA 195 Ca 0.19 -0.41 0.16 0.00 0.00 0.00 0.00 54.91 54.85 2jjp h ALA 195 Cb 0.22 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 2jjp h ALA 195 CO -0.05 0.15 0.58 -0.92 0.00 0.00 0.00 179.25 179.01 2jjp h TYR 196 N -0.16 0.74 0.06 0.00 3.20 -1.22 -1.49 116.97 118.11 2jjp h TYR 196 Ca -0.01 0.02 -0.24 0.00 3.14 0.00 0.00 58.73 61.64 2jjp h TYR 196 Cb 0.90 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 2jjp h TYR 196 CO 0.12 0.24 -1.09 -0.07 -1.64 0.00 0.00 178.16 175.73 2jjp h LEU 197 N 0.60 0.23 -1.09 2.82 3.38 -1.02 -2.58 115.31 117.65 2jjp h LEU 197 Ca 0.46 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.21 2jjp h LEU 197 Cb 0.87 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 2jjp h LEU 197 CO -0.21 1.16 0.62 0.50 0.09 0.00 0.00 178.44 180.60 2jjp h LYS 198 N 0.05 1.21 -0.46 1.13 3.64 -0.51 0.28 116.57 121.92 2jjp h LYS 198 Ca -0.07 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.11 2jjp h LYS 198 Cb 1.82 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 2jjp h LYS 198 CO 0.16 0.80 -0.23 0.00 -2.27 0.00 0.00 179.45 177.92 2jjp h ALA 199 N 1.42 0.73 -0.37 5.00 0.00 -1.21 -2.09 119.26 122.73 2jjp h ALA 199 Ca 0.35 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2jjp h ALA 199 Cb -0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2jjp h ALA 199 CO -0.08 0.67 0.10 0.00 0.00 0.00 0.00 179.25 179.94 2jjp h ARG 200 N 0.81 0.59 -0.95 0.00 2.47 -0.98 -2.00 114.38 114.32 2jjp h ARG 200 Ca 0.10 -0.13 0.08 0.00 -1.26 0.00 0.00 59.98 58.76 2jjp h ARG 200 Cb 0.80 -0.08 -0.07 0.00 -1.65 0.00 0.00 29.97 28.97 2jjp h ARG 200 CO 0.07 0.61 0.62 0.00 0.56 0.00 0.00 179.97 181.83 2jjp h ALA 202 N 1.50 1.07 -0.57 0.00 0.00 -1.13 0.96 119.26 121.09 2jjp h ALA 202 Ca 0.42 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2jjp h ALA 202 Cb 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jjp h ALA 202 CO -0.17 0.58 -0.05 0.93 0.00 0.00 0.00 179.25 180.53 2jjp h GLU 203 N 0.34 1.02 -0.21 0.00 5.08 -0.78 -2.56 114.58 117.47 2jjp h GLU 203 Ca 0.04 -0.34 -0.15 0.00 -1.00 0.00 0.00 59.36 57.91 2jjp h GLU 203 Cb 0.75 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2jjp h GLU 203 CO 0.06 1.03 -0.49 0.00 -1.00 0.00 0.00 179.01 178.61 2jjp h ARG 204 N 0.92 0.57 -0.87 2.33 2.47 -1.00 -2.65 114.38 116.15 2jjp h ARG 204 Ca 0.16 -0.33 0.08 0.00 -1.26 0.00 0.00 59.98 58.62 2jjp h ARG 204 Cb 0.60 0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.89 2jjp h ARG 204 CO 0.04 0.93 0.56 -0.09 0.56 0.00 0.00 179.97 181.97 2jjp h ARG 205 N 0.45 0.89 -0.53 0.04 2.43 -0.63 -1.45 114.38 115.58 2jjp h ARG 205 Ca 0.02 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2jjp h ARG 205 Cb 1.02 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 2jjp h ARG 205 CO 0.09 0.59 0.20 0.00 -1.51 0.00 0.00 179.97 179.34 2jjp h ALA 206 N 1.55 0.69 -1.91 2.80 0.00 -1.35 -3.41 119.26 117.63 2jjp h ALA 206 Ca 0.39 -0.17 -0.42 0.00 0.00 0.00 0.00 54.91 54.71 2jjp h ALA 206 Cb 0.31 -0.21 -0.31 0.00 0.00 0.00 0.00 17.79 17.58 2jjp h ALA 206 CO -0.15 0.32 -0.77 0.34 0.00 0.00 0.00 179.25 178.98 2jjp s ASP 207 N -6.05 0.67 0.23 0.00 2.15 -0.86 -5.13 116.67 107.68 2jjp s ASP 207 Ca -0.13 -2.29 -0.30 0.00 0.43 0.00 0.00 52.55 50.26 2jjp s ASP 207 Cb 0.12 0.43 -0.09 0.00 -0.30 0.00 0.00 42.92 43.08 2jjp s ASP 207 CO 0.78 -0.17 1.28 -2.84 -0.17 0.00 0.00 175.17 174.06 2jjp s PRO 208 N 0.68 4.41 0.00 4.34 0.02 -0.60 -4.71 135.00 139.14 2jjp s PRO 208 Ca 0.27 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.34 2jjp s PRO 208 Cb -0.03 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.31 2jjp s PRO 208 CO -0.10 -0.19 0.00 0.41 -0.33 0.00 0.00 177.00 176.79 2jjp n GLY 209 N 1.95 2.40 0.71 0.52 0.00 -1.26 -5.05 105.19 104.46 2jjp n GLY 209 Ca 0.04 -1.91 0.08 0.00 0.00 0.00 0.00 46.02 44.24 2jjp n GLY 209 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jjp n ASP 210 N 0.00 2.60 -4.59 1.61 2.03 -1.26 -4.64 116.55 112.30 2jjp n ASP 210 Ca 0.00 -1.76 -0.30 0.00 0.52 0.00 0.00 54.79 53.26 2jjp n ASP 210 Cb 0.00 -0.09 0.20 0.00 -0.72 0.00 0.00 41.12 40.52 2jjp n ASP 210 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2jjp s ASP 211 N -1.24 2.05 0.33 1.67 1.47 -1.26 -4.76 116.67 114.93 2jjp s ASP 211 Ca 0.23 1.83 0.08 0.00 1.18 0.00 0.00 52.55 55.86 2jjp s ASP 211 Cb 0.14 -2.42 0.59 0.00 -0.34 0.00 0.00 42.92 40.89 2jjp s ASP 211 CO 0.21 -3.59 1.79 0.25 0.68 0.00 0.00 175.17 174.51 2jjp h LEU 212 N -2.20 0.25 -0.98 2.11 5.85 -0.97 -1.85 115.31 117.52 2jjp h LEU 212 Ca -0.52 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.07 2jjp h LEU 212 Cb 1.30 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 2jjp h LEU 212 CO 0.47 0.54 0.19 0.40 -0.34 0.00 0.00 178.44 179.69 2jjp h ILE 213 N 0.22 1.23 -0.42 4.05 2.04 -1.78 0.76 117.51 123.61 2jjp h ILE 213 Ca 0.03 -0.80 -0.13 0.00 1.00 0.00 0.00 64.86 64.97 2jjp h ILE 213 Cb 0.63 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2jjp h ILE 213 CO 0.05 0.31 -0.24 0.28 0.00 0.00 0.00 178.15 178.54 2jjp h SER 214 N 0.90 0.88 -0.57 1.72 0.02 -1.76 -1.43 113.55 113.31 2jjp h SER 214 Ca 0.20 -0.34 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 2jjp h SER 214 Cb 0.26 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2jjp h SER 214 CO -0.01 1.08 0.05 0.03 -1.14 0.00 0.00 176.83 176.85 2jjp h ARG 215 N 0.74 0.97 -0.25 3.45 3.08 -1.00 -1.72 114.38 119.66 2jjp h ARG 215 Ca 0.09 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 2jjp h ARG 215 Cb 0.79 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2jjp h ARG 215 CO 0.07 0.95 0.09 -0.07 -1.07 0.00 0.00 179.97 179.94 2jjp h LEU 216 N 0.87 0.35 -1.31 3.04 3.38 -0.69 -1.03 115.31 119.91 2jjp h LEU 216 Ca 0.17 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2jjp h LEU 216 Cb 0.47 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2jjp h LEU 216 CO 0.02 0.43 -0.23 0.58 0.09 0.00 0.00 178.44 179.33 2jjp h VAL 217 N 0.25 1.21 0.00 1.22 2.07 -1.22 -3.02 116.25 116.76 2jjp h VAL 217 Ca 0.08 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2jjp h VAL 217 Cb 0.20 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2jjp h VAL 217 CO -0.01 0.30 -0.64 -0.07 0.02 0.00 0.00 177.57 177.17 2jjp h LEU 218 N 0.15 0.00 -9.69 2.57 3.38 -1.15 -3.46 115.31 107.12 2jjp h LEU 218 Ca 0.03 -0.12 -0.57 0.00 0.09 0.00 0.00 57.88 57.31 2jjp h LEU 218 Cb 0.50 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.34 2jjp h LEU 218 CO 0.03 0.06 0.64 0.00 0.09 0.00 0.00 178.44 179.26 2jjp n ALA 219 N -1.95 1.49 -3.66 1.53 0.00 -0.40 -5.01 120.51 112.51 2jjp n ALA 219 Ca 0.03 0.39 -0.08 0.00 0.00 0.00 0.00 53.44 53.77 2jjp n ALA 219 Cb 0.48 -2.31 -0.09 0.00 0.00 0.00 0.00 19.45 17.53 2jjp n ALA 219 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2jjp s GLU 220 N -0.94 0.37 -0.09 0.00 2.12 -1.26 -4.39 118.70 114.51 2jjp s GLU 220 Ca 0.63 1.05 0.01 0.00 0.36 0.00 0.00 54.97 57.02 2jjp s GLU 220 Cb -0.59 0.33 0.02 0.00 0.26 0.00 0.00 34.13 34.15 2jjp s GLU 220 CO 0.54 -0.23 -0.11 0.08 -0.54 0.00 0.00 175.26 175.00 2jjp s VAL 221 N 2.44 1.14 -1.43 3.70 1.01 -0.81 -4.79 120.40 121.66 2jjp s VAL 221 Ca -0.04 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 2jjp s VAL 221 Cb -0.11 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.19 2jjp s VAL 221 CO -0.14 0.37 0.26 0.47 0.00 0.00 0.00 175.10 176.07 2jjp n ASP 222 N 4.29 -0.61 0.00 3.32 8.00 -1.26 -1.15 116.55 129.14 2jjp n ASP 222 Ca -0.19 -1.21 0.00 0.00 0.71 0.00 0.00 54.79 54.10 2jjp n ASP 222 Cb 0.51 -2.03 0.00 0.00 -0.02 0.00 0.00 41.12 39.58 2jjp n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jjp n GLY 223 N -2.31 2.37 3.61 0.44 0.00 -1.26 -4.96 105.19 103.08 2jjp n GLY 223 Ca -0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 2jjp n GLY 223 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jjp s ARG 224 N -0.02 4.05 0.15 1.61 6.06 -0.30 -5.04 118.95 125.46 2jjp s ARG 224 Ca 0.00 0.32 0.08 0.00 -2.50 0.00 0.00 55.73 53.63 2jjp s ARG 224 Cb 0.00 -3.66 -0.04 0.00 0.06 0.00 0.00 34.95 31.31 2jjp s ARG 224 CO 0.00 -0.38 -0.17 0.00 -2.50 0.00 0.00 175.30 172.25 2jjp s ALA 225 N 2.35 1.84 -0.08 6.12 0.00 -1.26 -1.92 121.76 128.81 2jjp s ALA 225 Ca 0.22 -1.42 -0.26 0.00 0.00 0.00 0.00 51.96 50.50 2jjp s ALA 225 Cb -0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 2jjp s ALA 225 CO 0.09 0.20 0.82 -0.51 0.00 0.00 0.00 175.76 176.36 2jjp s LEU 226 N -2.57 4.29 0.98 0.00 1.43 -1.26 -5.08 118.68 116.47 2jjp s LEU 226 Ca 0.13 1.32 -0.15 0.00 -1.03 0.00 0.00 54.13 54.40 2jjp s LEU 226 Cb -0.06 -3.27 0.19 0.00 0.03 0.00 0.00 46.19 43.08 2jjp s LEU 226 CO 0.05 -0.25 1.21 1.51 0.23 0.00 0.00 176.35 179.11 2jjp s ASP 227 N 0.96 2.88 0.40 2.29 1.47 -1.26 -4.72 116.67 118.70 2jjp s ASP 227 Ca 0.42 0.60 0.16 0.00 1.18 0.00 0.00 52.55 54.91 2jjp s ASP 227 Cb -0.18 -0.88 0.86 0.00 -0.34 0.00 0.00 42.92 42.37 2jjp s ASP 227 CO 0.19 -2.90 1.86 0.44 0.68 0.00 0.00 175.17 175.44 2jjp h ASP 228 N -1.75 0.00 0.01 2.11 3.32 -1.98 -0.05 116.42 118.08 2jjp h ASP 228 Ca -0.46 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.62 2jjp h ASP 228 Cb 1.29 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 2jjp h ASP 228 CO 0.47 0.32 -0.31 -0.08 -1.72 0.00 0.00 179.24 177.92 2jjp h GLU 229 N 0.00 -0.45 -0.27 3.56 4.81 -1.95 -0.73 114.58 119.55 2jjp h GLU 229 Ca -0.00 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 2jjp h GLU 229 Cb 0.62 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 2jjp h GLU 229 CO 0.04 -0.30 -0.23 0.93 -0.73 0.00 0.00 179.01 178.72 2jjp h GLU 230 N -0.47 0.63 -0.66 1.92 5.08 -1.59 -0.85 114.58 118.64 2jjp h GLU 230 Ca 0.06 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 2jjp h GLU 230 Cb 0.55 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2jjp h GLU 230 CO -0.25 0.92 0.24 0.00 -1.00 0.00 0.00 179.01 178.92 2jjp h ALA 231 N 0.70 0.87 -0.11 3.43 0.00 -1.01 -0.37 119.26 122.77 2jjp h ALA 231 Ca 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2jjp h ALA 231 Cb 0.78 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jjp h ALA 231 CO 0.06 0.51 0.02 0.00 0.00 0.00 0.00 179.25 179.84 2jjp h ALA 232 N 1.10 0.14 -0.23 0.00 0.00 -1.02 -0.05 119.26 119.20 2jjp h ALA 232 Ca 0.22 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2jjp h ALA 232 Cb 0.24 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2jjp h ALA 232 CO -0.01 -0.22 -0.12 -0.91 0.00 0.00 0.00 179.25 177.99 2jjp h ASN 233 N -0.04 -0.40 -0.25 0.00 2.35 -1.06 -1.09 115.58 115.09 2jjp h ASN 233 Ca 0.03 0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.78 2jjp h ASN 233 Cb 0.26 0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 2jjp h ASN 233 CO 0.00 -0.16 -0.19 0.15 -1.65 0.00 0.00 177.43 175.58 2jjp h PHE 234 N -0.10 0.78 -0.03 1.19 3.57 -1.03 -2.47 116.94 118.85 2jjp h PHE 234 Ca 0.12 -0.16 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 2jjp h PHE 234 Cb 0.29 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2jjp h PHE 234 CO -0.29 0.83 -0.21 0.77 -2.23 0.00 0.00 178.31 177.19 2jjp h SER 235 N 0.62 0.05 0.07 0.41 0.02 -0.76 -2.19 113.55 111.77 2jjp h SER 235 Ca 0.09 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2jjp h SER 235 Cb 0.67 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2jjp h SER 235 CO 0.05 0.26 -0.04 0.74 -1.14 0.00 0.00 176.83 176.71 2jjp h THR 236 N 0.05 1.12 -0.43 -2.27 2.02 -0.80 -1.29 112.91 111.30 2jjp h THR 236 Ca 0.01 -0.69 0.09 0.00 0.77 0.00 0.00 66.41 66.59 2jjp h THR 236 Cb 0.40 1.56 -0.09 0.00 -1.74 0.00 0.00 68.15 68.28 2jjp h THR 236 CO 0.03 0.17 -0.19 0.00 0.37 0.00 0.00 175.52 175.90 2jjp h ALA 237 N 0.48 0.14 -0.73 6.16 0.00 -1.31 0.23 119.26 124.22 2jjp h ALA 237 Ca -0.01 0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.15 2jjp h ALA 237 Cb 0.36 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 2jjp h ALA 237 CO 0.02 -0.54 0.36 -0.07 0.00 0.00 0.00 179.25 179.01 2jjp h LEU 238 N -0.10 0.46 -0.24 0.00 4.07 -1.30 0.12 115.31 118.31 2jjp h LEU 238 Ca 0.21 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.21 2jjp h LEU 238 Cb 0.42 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 2jjp h LEU 238 CO -0.50 0.25 0.06 0.25 -1.08 0.00 0.00 178.44 177.43 2jjp h LEU 239 N 0.60 0.37 -0.18 1.67 5.85 -0.59 -1.12 115.31 121.92 2jjp h LEU 239 Ca 0.37 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.90 2jjp h LEU 239 Cb 0.41 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 2jjp h LEU 239 CO -0.29 0.50 -0.12 0.25 -0.34 0.00 0.00 178.44 178.45 2jjp h LEU 240 N 0.22 -0.39 -0.62 2.25 6.46 -0.71 -1.88 115.31 120.64 2jjp h LEU 240 Ca 0.08 0.08 0.12 0.00 -0.12 0.00 0.00 57.88 58.04 2jjp h LEU 240 Cb 0.28 0.20 -0.09 0.00 -0.73 0.00 0.00 40.66 40.32 2jjp h LEU 240 CO 0.00 -0.16 0.10 0.00 -0.62 0.00 0.00 178.44 177.77 2jjp h ALA 241 N 1.01 0.72 0.00 1.25 0.00 -0.58 -0.29 119.26 121.37 2jjp h ALA 241 Ca 0.11 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2jjp h ALA 241 Cb 0.28 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jjp h ALA 241 CO -0.25 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.07 2jjp n GLY 242 N -1.33 -1.17 0.00 0.00 0.00 -0.44 -1.84 105.19 100.40 2jjp n GLY 242 Ca 0.10 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.28 2jjp n GLY 242 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jjp n HIS 243 N -2.02 0.03 0.00 1.61 -0.00 -0.15 -3.38 115.22 111.31 2jjp n HIS 243 Ca 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 2jjp n HIS 243 Cb 0.20 -0.17 0.00 0.00 -0.00 0.00 0.00 29.99 30.03 2jjp n HIS 243 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 2jjp n ILE 244 N -1.55 0.00 0.34 1.59 2.08 -1.04 -4.76 119.36 116.02 2jjp n ILE 244 Ca 0.04 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.22 2jjp n ILE 244 Cb 0.34 -0.96 -0.07 0.00 -0.75 0.00 0.00 39.64 38.21 2jjp n ILE 244 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 2jjp h THR 245 N 0.00 0.00 -0.61 1.39 1.35 -1.61 -0.62 112.91 112.80 2jjp h THR 245 Ca 0.00 -0.23 -0.01 0.00 -0.55 0.00 0.00 66.41 65.62 2jjp h THR 245 Cb 0.70 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.09 2jjp h THR 245 CO 0.00 0.00 0.34 0.74 -0.25 0.00 0.00 175.52 176.35 2jjp h THR 246 N -1.13 1.18 -0.95 6.82 2.02 -1.89 0.63 112.91 119.60 2jjp h THR 246 Ca -0.09 -0.46 0.09 0.00 0.77 0.00 0.00 66.41 66.72 2jjp h THR 246 Cb 0.69 0.36 -0.08 0.00 -1.74 0.00 0.00 68.15 67.38 2jjp h THR 246 CO 0.15 0.20 0.59 0.74 0.37 0.00 0.00 175.52 177.57 2jjp h THR 247 N 0.85 0.97 0.04 3.16 2.02 -1.53 -1.09 112.91 117.33 2jjp h THR 247 Ca 0.22 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 2jjp h THR 247 Cb 0.02 -0.11 0.01 0.00 -1.74 0.00 0.00 68.15 66.33 2jjp h THR 247 CO -0.04 0.18 -0.29 0.58 0.37 0.00 0.00 175.52 176.32 2jjp h VAL 248 N 0.99 1.65 -0.45 3.16 2.07 -0.68 -3.30 116.25 119.70 2jjp h VAL 248 Ca 0.45 -2.30 -0.01 0.00 0.82 0.00 0.00 66.70 65.66 2jjp h VAL 248 Cb 0.35 3.19 -0.02 0.00 -1.52 0.00 0.00 31.29 33.28 2jjp h VAL 248 CO -0.23 0.62 0.25 0.25 0.02 0.00 0.00 177.57 178.48 2jjp h LEU 249 N -0.70 0.57 -0.87 2.57 5.85 -0.75 -1.75 115.31 120.23 2jjp h LEU 249 Ca -0.05 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 2jjp h LEU 249 Cb 1.18 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 2jjp h LEU 249 CO 0.06 0.50 -0.25 0.25 -0.34 0.00 0.00 178.44 178.65 2jjp h LEU 250 N 0.59 0.56 -0.82 2.25 5.85 -1.37 0.13 115.31 122.50 2jjp h LEU 250 Ca 0.16 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2jjp h LEU 250 Cb 0.06 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2jjp h LEU 250 CO -0.03 0.80 0.49 1.23 -0.34 0.00 0.00 178.44 180.60 2jjp h GLY 251 N 1.01 1.19 1.08 3.75 0.00 -1.60 -1.70 103.07 106.80 2jjp h GLY 251 Ca 0.07 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 2jjp h GLY 251 CO 0.05 0.48 -0.09 3.43 0.00 0.00 0.00 176.54 180.41 2jjp h ASN 252 N 1.12 1.00 0.01 0.19 2.35 -0.11 -1.49 115.58 118.66 2jjp h ASN 252 Ca 0.29 -0.35 0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2jjp h ASN 252 Cb -0.04 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.02 2jjp h ASN 252 CO -0.06 1.11 -0.18 0.40 -1.65 0.00 0.00 177.43 177.05 2jjp h ILE 253 N 0.87 0.56 -0.35 2.81 2.04 -0.74 -0.47 117.51 122.23 2jjp h ILE 253 Ca 0.14 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 2jjp h ILE 253 Cb 0.65 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2jjp h ILE 253 CO 0.04 0.00 0.16 0.58 0.00 0.00 0.00 178.15 178.94 2jjp h VAL 254 N -0.31 1.17 -0.45 1.67 2.07 -1.20 -1.04 116.25 118.17 2jjp h VAL 254 Ca 0.05 -0.50 0.09 0.00 0.82 0.00 0.00 66.70 67.16 2jjp h VAL 254 Cb 0.37 0.85 -0.10 0.00 -1.52 0.00 0.00 31.29 30.90 2jjp h VAL 254 CO -0.16 0.18 -0.24 0.03 0.02 0.00 0.00 177.57 177.40 2jjp h ARG 255 N 0.43 -0.14 -0.20 1.57 3.08 -1.19 -0.49 114.38 117.44 2jjp h ARG 255 Ca 0.12 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 2jjp h ARG 255 Cb 0.14 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2jjp h ARG 255 CO -0.01 -0.09 -0.10 1.15 -1.07 0.00 0.00 179.97 179.84 2jjp h THR 256 N -0.15 1.31 -0.70 2.04 2.02 -0.86 -2.52 112.91 114.05 2jjp h THR 256 Ca 0.21 -1.17 0.04 0.00 0.77 0.00 0.00 66.41 66.26 2jjp h THR 256 Cb 0.48 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 2jjp h THR 256 CO -0.54 0.35 0.46 -0.07 0.37 0.00 0.00 175.52 176.10 2jjp h LEU 257 N 0.11 0.70 -2.19 2.58 3.38 -1.07 -0.69 115.31 118.14 2jjp h LEU 257 Ca 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2jjp h LEU 257 Cb 0.59 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2jjp h LEU 257 CO 0.03 0.48 -0.06 -0.78 0.09 0.00 0.00 178.44 178.19 2jjp h ASP 258 N 0.81 0.00 1.14 -0.43 3.58 -0.76 -1.56 116.42 119.20 2jjp h ASP 258 Ca 0.28 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.63 2jjp h ASP 258 Cb 0.11 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2jjp h ASP 258 CO -0.08 0.06 -0.91 -0.33 -2.88 0.00 0.00 179.24 175.10 2jjp h GLU 259 N 0.00 0.00 -2.40 0.28 5.08 -0.74 -3.39 114.58 113.41 2jjp h GLU 259 Ca -0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.76 2jjp h GLU 259 Cb 0.19 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.03 2jjp h GLU 259 CO 0.01 0.30 -0.76 0.72 -1.00 0.00 0.00 179.01 178.29 2jjp n HIS 260 N -3.00 2.00 0.49 4.33 8.25 -0.65 -4.99 115.22 121.65 2jjp n HIS 260 Ca -0.03 -3.94 0.11 0.00 -0.26 0.00 0.00 57.72 53.60 2jjp n HIS 260 Cb 0.74 -0.41 0.45 0.00 1.12 0.00 0.00 29.99 31.89 2jjp n HIS 260 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2jjp n PRO 261 N 1.55 0.15 0.21 -0.41 -0.04 -0.81 -2.70 135.00 132.96 2jjp n PRO 261 Ca 0.25 0.33 0.18 0.00 -0.04 0.00 0.00 63.50 64.22 2jjp n PRO 261 Cb 0.43 -1.76 0.83 0.00 -0.04 0.00 0.00 33.50 32.96 2jjp n PRO 261 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jjp h ALA 262 N 2.40 1.72 0.00 0.55 0.00 -1.94 -1.07 119.26 120.92 2jjp h ALA 262 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2jjp h ALA 262 Cb 0.41 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2jjp h ALA 262 CO 0.00 -0.41 -0.30 0.45 0.00 0.00 0.00 179.25 178.99 2jjp h HIS 263 N 0.00 0.00 -0.39 0.00 3.86 -1.82 -2.96 115.15 113.84 2jjp h HIS 263 Ca 0.09 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.37 2jjp h HIS 263 Cb 0.71 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.12 2jjp h HIS 263 CO 0.00 0.30 0.01 -1.49 0.86 0.00 0.00 177.93 177.62 2jjp h TRP 264 N 0.00 0.00 -0.18 2.45 4.06 -1.41 -2.00 115.95 118.87 2jjp h TRP 264 Ca -0.00 0.03 -0.15 0.00 2.06 0.00 0.00 58.89 60.82 2jjp h TRP 264 Cb 1.19 0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 29.40 2jjp h TRP 264 CO 0.00 -0.06 -0.53 -0.44 -3.56 0.00 0.00 178.44 173.85 2jjp h ASP 265 N 0.12 0.58 -0.50 -3.49 3.32 -1.67 -2.11 116.42 112.67 2jjp h ASP 265 Ca 0.19 -0.30 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 2jjp h ASP 265 Cb 0.26 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2jjp h ASP 265 CO -0.31 1.00 -0.01 0.00 -1.72 0.00 0.00 179.24 178.20 2jjp h ALA 266 N 1.01 0.95 0.00 3.45 0.00 -1.46 -2.27 119.26 120.94 2jjp h ALA 266 Ca 0.01 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 2jjp h ALA 266 Cb 1.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2jjp h ALA 266 CO 0.10 0.63 -0.71 0.00 0.00 0.00 0.00 179.25 179.27 2jjp h ALA 267 N 1.11 0.59 -0.30 0.00 0.00 -1.27 -1.73 119.26 117.66 2jjp h ALA 267 Ca 0.16 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jjp h ALA 267 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2jjp h ALA 267 CO 0.03 0.89 0.19 0.00 0.00 0.00 0.00 179.25 180.36 2jjp h ALA 268 N 1.29 0.38 -0.39 0.00 0.00 -1.27 -2.08 119.26 117.18 2jjp h ALA 268 Ca -0.01 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2jjp h ALA 268 Cb 1.48 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2jjp h ALA 268 CO 0.09 -0.13 -0.24 0.93 0.00 0.00 0.00 179.25 179.90 2jjp h GLU 269 N 0.39 0.80 -2.60 0.00 4.39 -1.39 -3.39 114.58 112.79 2jjp h GLU 269 Ca 0.11 -0.34 -0.59 0.00 0.34 0.00 0.00 59.36 58.88 2jjp h GLU 269 Cb -0.01 -0.03 -0.39 0.00 -0.10 0.00 0.00 28.75 28.22 2jjp h GLU 269 CO -0.02 0.96 -0.86 0.34 -1.16 0.00 0.00 179.01 178.27 2jjp s ASP 270 N -6.76 2.57 0.30 1.42 -1.08 -0.66 -4.98 116.67 107.49 2jjp s ASP 270 Ca -0.10 -2.78 0.16 0.00 -0.52 0.00 0.00 52.55 49.32 2jjp s ASP 270 Cb 0.13 -0.62 0.89 0.00 -1.46 0.00 0.00 42.92 41.86 2jjp s ASP 270 CO 0.84 -0.22 1.45 -2.65 0.52 0.00 0.00 175.17 175.11 2jjp n PRO 271 N 3.27 0.11 0.17 4.34 -0.02 -0.79 -0.73 135.00 141.34 2jjp n PRO 271 Ca 0.20 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.40 2jjp n PRO 271 Cb 0.41 -2.00 0.53 0.00 -0.02 0.00 0.00 33.50 32.42 2jjp n PRO 271 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2jjp h GLY 272 N 0.00 0.00 2.00 -1.23 0.00 -1.94 -1.51 103.07 100.40 2jjp h GLY 272 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jjp h GLY 272 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.75 2jjp h ARG 273 N 0.00 0.00 0.02 4.80 3.08 -1.27 -3.37 114.38 117.64 2jjp h ARG 273 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 2jjp h ARG 273 Cb 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2jjp h ARG 273 CO 0.00 0.00 -0.11 0.82 -1.07 0.00 0.00 179.97 179.61 2jjp h ILE 274 N 0.00 0.72 -0.98 2.04 2.04 -1.45 -2.42 117.51 117.45 2jjp h ILE 274 Ca 0.00 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.11 2jjp h ILE 274 Cb 0.40 0.72 -0.13 0.00 -0.74 0.00 0.00 36.82 37.07 2jjp h ILE 274 CO 0.00 0.00 0.55 -0.65 0.00 0.00 0.00 178.15 178.05 2jjp h PRO 275 N -0.20 0.50 -0.17 2.37 0.11 -1.80 0.38 132.00 133.18 2jjp h PRO 275 Ca 0.04 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 2jjp h PRO 275 Cb 0.24 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 2jjp h PRO 275 CO -0.10 0.33 -0.30 0.00 -0.21 0.00 0.00 178.00 177.72 2jjp h ALA 276 N 1.75 1.17 -0.48 -0.75 0.00 -1.70 -1.19 119.26 118.05 2jjp h ALA 276 Ca 0.64 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2jjp h ALA 276 Cb 1.26 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2jjp h ALA 276 CO -0.51 0.54 0.28 0.82 0.00 0.00 0.00 179.25 180.38 2jjp h ILE 277 N 0.30 1.16 0.28 0.00 2.04 -0.67 -1.53 117.51 119.08 2jjp h ILE 277 Ca 0.04 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 2jjp h ILE 277 Cb 0.68 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2jjp h ILE 277 CO 0.05 0.16 -0.13 0.58 0.00 0.00 0.00 178.15 178.81 2jjp h VAL 278 N 0.64 0.77 -0.91 1.67 2.07 -1.08 -1.06 116.25 118.35 2jjp h VAL 278 Ca 0.17 -0.39 0.20 0.00 0.82 0.00 0.00 66.70 67.51 2jjp h VAL 278 Cb 0.02 0.98 -0.12 0.00 -1.52 0.00 0.00 31.29 30.65 2jjp h VAL 278 CO -0.03 0.08 0.45 -0.33 0.02 0.00 0.00 177.57 177.76 2jjp h GLU 279 N -0.58 0.49 -0.17 1.57 4.39 -1.17 -1.77 114.58 117.35 2jjp h GLU 279 Ca -0.04 -0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.46 2jjp h GLU 279 Cb 0.42 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2jjp h GLU 279 CO 0.06 0.33 -0.61 1.49 -1.16 0.00 0.00 179.01 179.12 2jjp h GLU 280 N 0.51 0.58 -0.22 2.33 4.57 -0.89 -2.43 114.58 119.03 2jjp h GLU 280 Ca 0.55 -0.40 -0.17 0.00 -1.18 0.00 0.00 59.36 58.16 2jjp h GLU 280 Cb 0.97 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.62 2jjp h GLU 280 CO -0.47 1.02 -0.54 0.28 -1.18 0.00 0.00 179.01 178.12 2jjp h VAL 281 N 0.43 1.31 -0.70 0.32 2.07 -0.83 -0.35 116.25 118.49 2jjp h VAL 281 Ca -0.01 -1.77 0.13 0.00 0.82 0.00 0.00 66.70 65.88 2jjp h VAL 281 Cb 1.18 1.72 -0.09 0.00 -1.52 0.00 0.00 31.29 32.58 2jjp h VAL 281 CO 0.12 0.56 0.25 -0.07 0.02 0.00 0.00 177.57 178.44 2jjp h LEU 282 N 0.49 0.19 -0.19 2.57 3.38 -1.21 0.86 115.31 121.41 2jjp h LEU 282 Ca 0.01 0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 2jjp h LEU 282 Cb 1.10 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2jjp h LEU 282 CO 0.11 0.08 -0.27 -0.09 0.09 0.00 0.00 178.44 178.36 2jjp h ARG 283 N 0.39 0.51 -0.10 1.13 2.43 -1.20 -3.01 114.38 114.53 2jjp h ARG 283 Ca 0.38 -0.30 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2jjp h ARG 283 Cb 0.57 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2jjp h ARG 283 CO -0.40 0.89 -0.21 -0.92 -1.51 0.00 0.00 179.97 177.83 2jjp h TYR 284 N 0.16 0.41 -2.76 2.20 3.20 -0.47 -3.39 116.97 116.32 2jjp h TYR 284 Ca 0.02 -0.15 -0.61 0.00 3.14 0.00 0.00 58.73 61.14 2jjp h TYR 284 Cb 0.84 -0.08 -0.40 0.00 1.54 0.00 0.00 36.73 38.64 2jjp h TYR 284 CO 0.09 0.81 -0.78 1.03 -1.64 0.00 0.00 178.16 177.67 2jjp s ARG 285 N -3.99 1.54 0.04 1.82 0.52 0.29 -5.00 118.95 114.16 2jjp s ARG 285 Ca -0.14 -2.51 -0.31 0.00 -0.52 0.00 0.00 55.73 52.25 2jjp s ARG 285 Cb 0.04 -2.33 -0.07 0.00 0.52 0.00 0.00 34.95 33.12 2jjp s ARG 285 CO 0.76 -1.30 1.46 -1.25 0.02 0.00 0.00 175.30 174.99 2jjp s PRO 286 N -0.39 4.27 0.29 3.54 0.04 -1.14 -4.57 135.00 137.03 2jjp s PRO 286 Ca 0.26 2.08 0.03 0.00 0.04 0.00 0.00 61.00 63.41 2jjp s PRO 286 Cb -0.06 -3.51 0.69 0.00 0.04 0.00 0.00 34.50 31.66 2jjp s PRO 286 CO -0.14 -0.59 1.73 -1.35 0.04 0.00 0.00 177.00 176.69 2jjp h PRO 287 N 7.75 0.50 -4.27 0.56 0.11 -1.85 -3.29 132.00 131.51 2jjp h PRO 287 Ca -0.40 -0.03 -0.72 0.00 0.11 0.00 0.00 66.00 64.96 2jjp h PRO 287 Cb 1.19 -0.11 -0.31 0.00 0.11 0.00 0.00 31.00 31.88 2jjp h PRO 287 CO 0.90 0.33 -0.41 -0.06 -0.21 0.00 0.00 178.00 178.55 2jjp s PHE 288 N -5.89 3.48 -0.26 0.65 0.40 -1.26 -0.39 117.98 114.71 2jjp s PHE 288 Ca -0.12 -2.09 0.27 0.00 -0.60 0.00 0.00 56.93 54.40 2jjp s PHE 288 Cb 0.24 -3.42 0.74 0.00 0.51 0.00 0.00 43.02 41.09 2jjp s PHE 288 CO 0.78 -0.98 1.75 -1.00 0.70 0.00 0.00 175.22 176.48 2jjp h PRO 289 N 8.21 0.00 -4.11 0.24 0.13 -1.77 -3.44 132.00 131.26 2jjp h PRO 289 Ca -0.16 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.67 2jjp h PRO 289 Cb 1.06 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.90 2jjp h PRO 289 CO 0.81 0.00 -0.74 -0.65 -0.23 0.00 0.00 178.00 177.18 2jjp s GLN 290 N -3.37 0.29 0.28 0.86 -0.21 -1.26 -0.48 119.66 115.77 2jjp s GLN 290 Ca 0.05 -0.12 0.11 0.00 0.02 0.00 0.00 55.36 55.42 2jjp s GLN 290 Cb 0.07 -0.29 -0.05 0.00 1.00 0.00 0.00 33.01 33.74 2jjp s GLN 290 CO 0.62 0.07 -0.10 -1.64 -2.12 0.00 0.00 175.29 172.12 2jjp s MET 291 N -0.04 1.96 -0.01 2.91 -1.94 -0.61 -4.94 119.30 116.63 2jjp s MET 291 Ca 0.01 -1.64 0.05 0.00 -1.71 0.00 0.00 55.69 52.40 2jjp s MET 291 Cb -0.02 -1.93 -0.01 0.00 2.01 0.00 0.00 34.83 34.88 2jjp s MET 291 CO -0.00 0.31 -0.16 -0.65 -0.01 0.00 0.00 175.02 174.51 2jjp s GLN 292 N -3.60 1.25 0.18 2.03 -0.21 -1.26 -0.23 119.66 117.82 2jjp s GLN 292 Ca 0.31 -0.59 0.00 0.00 0.02 0.00 0.00 55.36 55.10 2jjp s GLN 292 Cb -0.05 -1.22 -0.04 0.00 1.00 0.00 0.00 33.01 32.70 2jjp s GLN 292 CO 0.17 0.33 0.07 1.03 -2.12 0.00 0.00 175.29 174.77 2jjp s ARG 293 N -0.46 1.13 -0.07 2.91 1.81 0.32 -4.79 118.95 119.81 2jjp s ARG 293 Ca 0.06 -1.57 0.02 0.00 -1.72 0.00 0.00 55.73 52.52 2jjp s ARG 293 Cb -0.06 0.02 0.01 0.00 -0.45 0.00 0.00 34.95 34.47 2jjp s ARG 293 CO -0.00 -0.27 -0.12 0.99 -0.68 0.00 0.00 175.30 175.22 2jjp s THR 294 N -3.92 1.16 0.25 0.02 2.01 0.71 0.19 115.64 116.06 2jjp s THR 294 Ca 0.30 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 2jjp s THR 294 Cb 0.07 -1.07 -0.09 0.00 0.01 0.00 0.00 72.50 71.42 2jjp s THR 294 CO 0.07 0.36 1.23 0.42 -0.69 0.00 0.00 174.62 176.01 2jjp s THR 295 N 0.70 3.24 -2.41 -0.82 -4.23 -0.46 -0.00 115.64 111.66 2jjp s THR 295 Ca -0.14 1.13 0.23 0.00 -1.18 0.00 0.00 61.69 61.74 2jjp s THR 295 Cb -0.16 -3.72 0.07 0.00 1.34 0.00 0.00 72.50 70.03 2jjp s THR 295 CO 0.03 0.22 1.15 0.35 -0.54 0.00 0.00 174.62 175.84 2jjp n THR 296 N 1.80 0.00 -3.54 3.99 -2.24 0.27 -0.99 114.28 113.58 2jjp n THR 296 Ca 0.02 -0.36 -0.09 0.00 -2.27 0.00 0.00 64.05 61.36 2jjp n THR 296 Cb 0.43 1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.99 2jjp n THR 296 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2jjp s LYS 297 N -2.28 0.70 0.03 -0.78 -2.85 -1.26 -4.78 119.74 108.51 2jjp s LYS 297 Ca 0.22 -0.14 -0.35 0.00 -1.00 0.00 0.00 55.97 54.70 2jjp s LYS 297 Cb 0.19 0.33 -0.14 0.00 -2.06 0.00 0.00 37.83 36.14 2jjp s LYS 297 CO 0.46 -0.28 1.62 0.00 0.10 0.00 0.00 175.35 177.25 2jjp n ALA 298 N 0.09 0.52 -2.53 0.59 0.00 -1.26 -4.12 120.51 113.79 2jjp n ALA 298 Ca -0.08 0.41 -0.18 0.00 0.00 0.00 0.00 53.44 53.59 2jjp n ALA 298 Cb 0.60 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 17.68 2jjp n ALA 298 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2jjp s THR 299 N 1.93 0.00 0.02 0.00 -1.32 0.87 -4.92 115.64 112.22 2jjp s THR 299 Ca 0.86 -1.84 0.02 0.00 -1.21 0.00 0.00 61.69 59.52 2jjp s THR 299 Cb -0.79 -2.57 -0.02 0.00 -1.51 0.00 0.00 72.50 67.61 2jjp s THR 299 CO 0.47 0.00 -0.06 -1.83 -2.21 0.00 0.00 174.62 170.99 2jjp s GLU 300 N -3.22 0.43 -0.09 7.08 -1.05 -1.26 0.47 118.70 121.05 2jjp s GLU 300 Ca 0.37 -0.53 0.02 0.00 -0.15 0.00 0.00 54.97 54.68 2jjp s GLU 300 Cb 0.01 -0.24 0.01 0.00 -0.44 0.00 0.00 34.13 33.47 2jjp s GLU 300 CO 0.26 0.05 -0.14 0.08 0.95 0.00 0.00 175.26 176.45 2jjp s VAL 301 N -0.95 1.35 -1.59 1.83 1.01 -0.15 -4.78 120.40 117.12 2jjp s VAL 301 Ca -0.07 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2jjp s VAL 301 Cb -0.07 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.07 2jjp s VAL 301 CO -0.00 0.41 0.00 0.00 0.00 0.00 0.00 175.10 175.51 2jjp n ALA 302 N 4.02 -0.47 -0.98 5.51 0.00 -1.26 -0.29 120.51 127.04 2jjp n ALA 302 Ca -0.20 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2jjp n ALA 302 Cb 0.51 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.05 2jjp n ALA 302 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jjp n GLY 303 N -0.97 0.60 3.59 0.00 0.00 -1.26 -5.02 105.19 102.12 2jjp n GLY 303 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 2jjp n GLY 303 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jjp s VAL 304 N -2.51 5.14 0.14 1.61 1.01 0.61 -5.06 120.40 121.33 2jjp s VAL 304 Ca 0.00 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 2jjp s VAL 304 Cb 0.00 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 2jjp s VAL 304 CO 0.00 0.30 1.08 -2.16 0.00 0.00 0.00 175.10 174.32 2jjp s PRO 305 N 1.48 4.60 -0.07 2.72 0.04 -1.26 -0.98 135.00 141.52 2jjp s PRO 305 Ca 0.07 1.66 0.03 0.00 0.04 0.00 0.00 61.00 62.79 2jjp s PRO 305 Cb -0.15 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.09 2jjp s PRO 305 CO 0.08 0.06 -0.14 0.42 0.04 0.00 0.00 177.00 177.45 2jjp s ILE 306 N 0.00 1.31 0.92 0.56 1.01 0.18 -4.95 121.20 120.23 2jjp s ILE 306 Ca 0.50 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 2jjp s ILE 306 Cb -0.28 -1.17 0.14 0.00 0.01 0.00 0.00 42.46 41.16 2jjp s ILE 306 CO 0.33 0.39 1.11 -2.16 0.00 0.00 0.00 174.94 174.61 2jjp s PRO 307 N 0.57 1.04 0.57 2.79 0.04 -1.26 -0.09 135.00 138.66 2jjp s PRO 307 Ca -0.15 0.48 -0.17 0.00 0.04 0.00 0.00 61.00 61.21 2jjp s PRO 307 Cb -0.16 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2jjp s PRO 307 CO 0.05 -2.31 1.07 0.00 0.04 0.00 0.00 177.00 175.85 2jjp s ALA 308 N -3.11 2.74 -0.92 8.56 0.00 -1.26 -4.17 121.76 123.60 2jjp s ALA 308 Ca 0.64 0.50 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2jjp s ALA 308 Cb -0.16 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2jjp s ALA 308 CO 0.55 -0.75 0.00 -0.25 0.00 0.00 0.00 175.76 175.32 2jjp n ASP 309 N -1.77 -3.69 -4.60 0.00 8.00 -0.16 -4.91 116.55 109.42 2jjp n ASP 309 Ca 0.09 0.11 -0.23 0.00 0.71 0.00 0.00 54.79 55.47 2jjp n ASP 309 Cb 0.52 -2.53 -0.08 0.00 -0.02 0.00 0.00 41.12 39.02 2jjp n ASP 309 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2jjp s VAL 310 N -2.42 3.14 0.19 2.53 -7.23 -1.26 -4.87 120.40 110.48 2jjp s VAL 310 Ca 0.00 -2.04 -0.17 0.00 -1.81 0.00 0.00 61.98 57.95 2jjp s VAL 310 Cb 0.00 -2.70 -0.08 0.00 0.56 0.00 0.00 36.38 34.16 2jjp s VAL 310 CO 0.00 -0.37 0.65 -0.32 -0.31 0.00 0.00 175.10 174.75 2jjp s MET 311 N -3.64 4.12 -0.11 4.82 1.75 -1.26 -1.35 119.30 123.63 2jjp s MET 311 Ca 0.31 0.69 0.01 0.00 -1.25 0.00 0.00 55.69 55.45 2jjp s MET 311 Cb -0.06 -2.88 0.02 0.00 2.84 0.00 0.00 34.83 34.76 2jjp s MET 311 CO 0.19 0.42 -0.10 0.08 -0.65 0.00 0.00 175.02 174.95 2jjp s VAL 312 N -1.52 1.18 -0.22 10.11 1.01 0.13 -1.14 120.40 129.95 2jjp s VAL 312 Ca 0.41 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.88 2jjp s VAL 312 Cb -0.16 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2jjp s VAL 312 CO 0.20 0.39 0.12 0.20 0.00 0.00 0.00 175.10 176.01 2jjp s ASN 313 N 1.37 5.85 -0.31 3.32 0.02 0.18 -0.52 114.94 124.86 2jjp s ASN 313 Ca -0.01 0.06 -0.10 0.00 -1.02 0.00 0.00 52.86 51.79 2jjp s ASN 313 Cb -0.14 -2.04 -0.02 0.00 0.02 0.00 0.00 41.25 39.08 2jjp s ASN 313 CO -0.05 0.08 0.17 0.42 0.02 0.00 0.00 177.10 177.74 2jjp s THR 314 N 0.93 4.82 -1.07 1.60 -4.23 0.68 -1.36 115.64 117.02 2jjp s THR 314 Ca 0.06 -0.27 -0.22 0.00 -1.18 0.00 0.00 61.69 60.08 2jjp s THR 314 Cb -0.13 -3.42 0.05 0.00 1.34 0.00 0.00 72.50 70.34 2jjp s THR 314 CO 0.03 0.10 1.50 0.26 -0.54 0.00 0.00 174.62 175.97 2jjp s TRP 315 N 1.66 2.58 0.32 3.99 0.52 -0.29 -1.58 118.94 126.14 2jjp s TRP 315 Ca 0.05 -0.99 0.02 0.00 0.02 0.00 0.00 56.10 55.21 2jjp s TRP 315 Cb -0.17 -4.70 0.59 0.00 -1.15 0.00 0.00 33.47 28.04 2jjp s TRP 315 CO 0.08 -1.91 1.92 0.28 0.02 0.00 0.00 176.95 177.33 2jjp h VAL 316 N 6.57 1.04 -0.51 4.03 2.07 -1.09 -1.52 116.25 126.85 2jjp h VAL 316 Ca 0.24 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2jjp h VAL 316 Cb 0.99 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2jjp h VAL 316 CO 1.43 0.17 0.27 0.25 0.02 0.00 0.00 177.57 179.71 2jjp h LEU 317 N 0.96 0.39 0.20 2.57 5.85 -1.58 -1.66 115.31 122.03 2jjp h LEU 317 Ca 0.38 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.12 2jjp h LEU 317 Cb 0.25 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2jjp h LEU 317 CO -0.14 0.27 -0.14 -1.28 -0.34 0.00 0.00 178.44 176.81 2jjp h SER 318 N 0.52 -0.36 -0.83 1.25 0.87 -1.71 -2.50 113.55 110.78 2jjp h SER 318 Ca 0.22 0.03 0.16 0.00 -1.23 0.00 0.00 61.79 60.97 2jjp h SER 318 Cb 0.11 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.12 2jjp h SER 318 CO -0.14 -0.22 0.55 0.00 -0.53 0.00 0.00 176.83 176.48 2jjp h ALA 319 N 0.44 2.04 0.00 6.23 0.00 -1.04 -1.00 119.26 125.93 2jjp h ALA 319 Ca -0.01 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2jjp h ALA 319 Cb 0.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2jjp h ALA 319 CO 0.00 -0.27 -0.68 -0.91 0.00 0.00 0.00 179.25 177.39 2jjp h ASN 320 N 0.51 0.00 -0.52 0.00 4.21 -1.08 -2.92 115.58 115.77 2jjp h ASN 320 Ca 0.42 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.93 2jjp h ASN 320 Cb 0.88 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.08 2jjp h ASN 320 CO -0.16 0.68 0.00 0.54 -1.29 0.00 0.00 177.43 177.19 2jjp n ARG 321 N -3.58 2.21 -2.93 0.81 5.12 -0.45 -4.86 116.66 112.98 2jjp n ARG 321 Ca -0.00 -1.88 -0.42 0.00 -1.93 0.00 0.00 57.85 53.62 2jjp n ARG 321 Cb 0.70 -1.41 -0.05 0.00 -1.16 0.00 0.00 32.46 30.54 2jjp n ARG 321 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2jjp s ASP 322 N -1.02 6.70 0.56 0.55 3.68 -0.77 -4.76 116.67 121.61 2jjp s ASP 322 Ca 0.35 0.75 0.37 0.00 2.13 0.00 0.00 52.55 56.16 2jjp s ASP 322 Cb 0.18 -2.42 1.92 0.00 -1.45 0.00 0.00 42.92 41.16 2jjp s ASP 322 CO 0.24 -0.60 2.13 0.77 0.13 0.00 0.00 175.17 177.85 2jjp h SER 323 N 8.02 0.00 1.24 -0.34 4.64 -1.90 -0.96 113.55 124.24 2jjp h SER 323 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2jjp h SER 323 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2jjp h SER 323 CO 0.88 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 177.28 2jjp h ASP 324 N 0.00 0.00 0.14 4.97 3.32 -1.95 -3.22 116.42 119.68 2jjp h ASP 324 Ca 0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 2jjp h ASP 324 Cb 0.12 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 2jjp h ASP 324 CO 0.00 0.00 -2.19 0.00 -1.72 0.00 0.00 179.24 175.33 2jjp n ALA 325 N -2.01 1.41 -2.96 3.45 0.00 -0.41 -4.99 120.51 115.01 2jjp n ALA 325 Ca 0.02 -1.06 -0.10 0.00 0.00 0.00 0.00 53.44 52.31 2jjp n ALA 325 Cb 0.35 -0.39 -0.11 0.00 0.00 0.00 0.00 19.45 19.30 2jjp n ALA 325 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2jjp s HIS 326 N -2.53 0.32 0.21 0.00 3.76 -0.97 -5.08 115.29 111.00 2jjp s HIS 326 Ca -0.15 -0.51 -0.26 0.00 -0.15 0.00 0.00 55.06 53.98 2jjp s HIS 326 Cb 0.07 -0.22 -0.09 0.00 1.11 0.00 0.00 32.58 33.46 2jjp s HIS 326 CO 0.77 -0.17 0.84 -0.51 -0.85 0.00 0.00 174.74 174.82 2jjp s ASP 327 N -1.44 7.43 -1.13 1.40 1.01 -1.26 -4.15 116.67 118.53 2jjp s ASP 327 Ca -0.15 1.74 -0.24 0.00 0.71 0.00 0.00 52.55 54.61 2jjp s ASP 327 Cb -0.10 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.32 2jjp s ASP 327 CO -0.01 0.15 0.72 0.47 0.21 0.00 0.00 175.17 176.71 2jjp n ASP 328 N 1.35 -4.85 0.23 0.27 8.00 -1.26 -4.83 116.55 115.46 2jjp n ASP 328 Ca -0.03 -1.11 0.10 0.00 0.71 0.00 0.00 54.79 54.46 2jjp n ASP 328 Cb 0.49 -2.51 0.52 0.00 -0.02 0.00 0.00 41.12 39.60 2jjp n ASP 328 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2jjp h PRO 329 N -1.99 0.00 -0.00 -0.24 0.13 -1.87 -1.40 132.00 126.63 2jjp h PRO 329 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2jjp h PRO 329 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2jjp h PRO 329 CO 0.48 0.22 -0.06 -0.25 -0.23 0.00 0.00 178.00 178.17 2jjp n ASP 330 N -3.53 0.53 -4.65 1.44 8.00 -1.26 -4.77 116.55 112.32 2jjp n ASP 330 Ca -0.01 -0.85 -0.42 0.00 0.71 0.00 0.00 54.79 54.23 2jjp n ASP 330 Cb 0.38 -0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.39 2jjp n ASP 330 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2jjp s ARG 331 N -2.26 4.20 -0.28 -1.24 6.06 -0.53 -5.00 118.95 119.90 2jjp s ARG 331 Ca 0.36 0.91 -0.29 0.00 -2.50 0.00 0.00 55.73 54.21 2jjp s ARG 331 Cb 0.21 -3.63 -0.01 0.00 0.06 0.00 0.00 34.95 31.57 2jjp s ARG 331 CO 0.42 -0.46 1.54 0.12 -2.50 0.00 0.00 175.30 174.41 2jjp s PHE 332 N 2.65 2.24 -0.36 5.12 5.36 -1.26 -4.96 117.98 126.76 2jjp s PHE 332 Ca 0.35 0.65 0.03 0.00 -0.96 0.00 0.00 56.93 56.99 2jjp s PHE 332 Cb -0.16 -4.03 0.16 0.00 -0.34 0.00 0.00 43.02 38.65 2jjp s PHE 332 CO 0.08 -2.52 0.39 0.34 -1.46 0.00 0.00 175.22 172.05 2jjp s ASP 333 N 4.08 0.93 0.57 6.13 2.15 -1.26 -5.01 116.67 124.26 2jjp s ASP 333 Ca 0.67 -1.40 0.29 0.00 0.43 0.00 0.00 52.55 52.54 2jjp s ASP 333 Cb -0.21 0.70 1.70 0.00 -0.30 0.00 0.00 42.92 44.82 2jjp s ASP 333 CO 0.29 -0.27 2.20 -0.65 -0.17 0.00 0.00 175.17 176.57 2jjp h PRO 334 N 7.19 0.00 0.00 4.34 0.11 -1.93 -2.58 132.00 139.13 2jjp h PRO 334 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2jjp h PRO 334 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jjp h PRO 334 CO 0.20 0.04 0.00 0.43 -0.21 0.00 0.00 178.00 178.46 2jjp n SER 335 N -3.78 0.00 -4.55 -2.05 7.64 -1.26 -4.74 113.62 104.88 2jjp n SER 335 Ca -0.03 -1.06 -0.34 0.00 1.01 0.00 0.00 58.87 58.45 2jjp n SER 335 Cb 0.13 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.29 2jjp n SER 335 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jjp s ARG 336 N -2.00 2.57 0.61 1.43 1.70 -0.98 -4.95 118.95 117.32 2jjp s ARG 336 Ca 0.40 0.34 -0.18 0.00 -0.47 0.00 0.00 55.73 55.82 2jjp s ARG 336 Cb 0.19 -4.62 -0.05 0.00 -0.57 0.00 0.00 34.95 29.90 2jjp s ARG 336 CO 0.31 -2.99 0.97 1.17 -1.08 0.00 0.00 175.30 173.68 2jjp n LYS 337 N 9.07 0.89 -4.24 3.89 4.81 -1.26 -5.02 118.16 126.29 2jjp n LYS 337 Ca 0.28 0.35 -0.24 0.00 -0.87 0.00 0.00 58.31 57.83 2jjp n LYS 337 Cb 0.50 -2.18 -0.17 0.00 0.02 0.00 0.00 35.03 33.21 2jjp n LYS 337 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2jjp s SER 338 N -1.26 1.66 -1.03 3.14 0.15 -1.26 -5.06 113.70 110.04 2jjp s SER 338 Ca 0.76 -0.24 -0.24 0.00 0.70 0.00 0.00 55.95 56.93 2jjp s SER 338 Cb -0.41 -0.71 -0.07 0.00 -1.71 0.00 0.00 66.02 63.12 2jjp s SER 338 CO 0.47 -0.05 1.96 -0.83 1.20 0.00 0.00 173.24 175.99 2jjp s GLY 339 N 1.10 0.09 0.00 9.45 0.00 -1.26 -3.04 107.32 113.67 2jjp s GLY 339 Ca -0.07 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 42.89 2jjp s GLY 339 CO -0.01 3.57 0.00 0.61 0.00 0.00 0.00 173.10 177.27 2jjp n GLY 340 N 6.38 0.60 3.54 0.20 0.00 -1.26 -4.95 105.19 109.71 2jjp n GLY 340 Ca 0.42 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 2jjp n GLY 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jjp n ALA 341 N -0.76 0.57 -3.37 4.61 0.00 -1.17 -4.91 120.51 115.48 2jjp n ALA 341 Ca 0.00 -1.08 -0.33 0.00 0.00 0.00 0.00 53.44 52.03 2jjp n ALA 341 Cb 0.29 -3.07 -0.16 0.00 0.00 0.00 0.00 19.45 16.52 2jjp n ALA 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jjp s ALA 342 N 11.70 2.42 -0.87 0.00 0.00 -1.26 -5.09 121.76 128.66 2jjp s ALA 342 Ca 1.03 -1.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.79 2jjp s ALA 342 Cb -0.33 -1.11 0.13 0.00 0.00 0.00 0.00 23.12 21.81 2jjp s ALA 342 CO 0.24 0.08 1.06 -1.14 0.00 0.00 0.00 175.76 176.00 2jjp s GLN 343 N 0.64 3.50 0.62 0.00 2.00 -1.26 -4.89 119.66 120.27 2jjp s GLN 343 Ca -0.09 -1.65 0.32 0.00 -2.00 0.00 0.00 55.36 51.94 2jjp s GLN 343 Cb -0.16 -4.77 1.82 0.00 0.80 0.00 0.00 33.01 30.71 2jjp s GLN 343 CO 0.02 -1.74 2.14 1.25 -0.50 0.00 0.00 175.29 176.46 2jjp h LEU 344 N 10.38 0.00 -0.26 3.68 5.85 -1.98 -1.03 115.31 131.95 2jjp h LEU 344 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2jjp h LEU 344 Cb 1.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2jjp h LEU 344 CO 1.10 0.00 0.00 -1.20 -0.34 0.00 0.00 178.44 178.00 2jjp n SER 345 N -3.51 0.23 -1.21 1.25 7.64 -1.26 -0.42 113.62 116.33 2jjp n SER 345 Ca -0.00 0.56 0.11 0.00 1.01 0.00 0.00 58.87 60.55 2jjp n SER 345 Cb 0.27 -0.61 0.27 0.00 -1.01 0.00 0.00 64.21 63.14 2jjp n SER 345 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2jjp n PHE 346 N -1.75 0.79 0.00 1.43 0.99 -0.39 -4.82 117.46 113.70 2jjp n PHE 346 Ca 0.03 -0.43 0.00 0.00 -0.00 0.00 0.00 57.45 57.04 2jjp n PHE 346 Cb 0.18 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.65 2jjp n PHE 346 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2jjp n GLY 347 N 1.47 -1.76 3.59 1.37 0.00 0.44 -0.81 105.19 109.48 2jjp n GLY 347 Ca 0.22 -2.03 -0.02 0.00 0.00 0.00 0.00 46.02 44.18 2jjp n GLY 347 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jjp s HIS 348 N 0.00 -0.80 0.00 1.61 2.46 -1.26 -4.35 115.29 112.96 2jjp s HIS 348 Ca 0.00 1.50 0.00 0.00 0.47 0.00 0.00 55.06 57.03 2jjp s HIS 348 Cb 0.00 0.48 0.00 0.00 -0.13 0.00 0.00 32.58 32.93 2jjp s HIS 348 CO 0.00 -0.39 0.00 0.41 -2.47 0.00 0.00 174.74 172.29 2jjp n GLY 349 N 4.36 -0.64 0.16 1.59 0.00 -1.26 -4.26 105.19 105.14 2jjp n GLY 349 Ca -0.16 -1.98 0.13 0.00 0.00 0.00 0.00 46.02 44.02 2jjp n GLY 349 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2jjp h VAL 350 N 0.00 0.00 -0.45 1.61 -1.51 -1.90 -2.40 116.25 111.61 2jjp h VAL 350 Ca 0.00 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 2jjp h VAL 350 Cb 0.00 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 2jjp h VAL 350 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 177.75 2jjp n HIS 351 N -2.47 0.60 -1.54 5.19 -0.00 -1.26 -4.98 115.22 110.76 2jjp n HIS 351 Ca 0.02 -0.30 -0.51 0.00 -0.00 0.00 0.00 57.72 56.94 2jjp n HIS 351 Cb 0.29 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.23 2jjp n HIS 351 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2jjp n PHE 352 N 0.93 0.95 -1.60 4.41 7.35 -0.91 -4.65 117.46 123.95 2jjp n PHE 352 Ca 0.17 0.79 -0.64 0.00 -0.76 0.00 0.00 57.45 57.01 2jjp n PHE 352 Cb 0.43 -2.20 -0.10 0.00 0.35 0.00 0.00 39.48 37.95 2jjp n PHE 352 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jjp h LEU 354 N 6.69 0.00 -1.59 0.00 5.85 -1.91 -3.13 115.31 121.22 2jjp h LEU 354 Ca -0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2jjp h LEU 354 Cb 1.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2jjp h LEU 354 CO 1.01 0.50 0.00 0.61 -0.34 0.00 0.00 178.44 180.22 2jjp n GLY 355 N 0.53 0.81 0.31 3.75 0.00 -1.26 -4.54 105.19 104.79 2jjp n GLY 355 Ca 0.00 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.59 2jjp n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jjp h ALA 356 N 4.33 1.28 -0.61 4.61 0.00 -1.93 -0.35 119.26 126.59 2jjp h ALA 356 Ca 0.00 0.23 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2jjp h ALA 356 Cb 0.72 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2jjp h ALA 356 CO 0.00 -0.48 0.05 -1.35 0.00 0.00 0.00 179.25 177.47 2jjp h PRO 357 N 0.20 1.03 -0.28 0.00 0.11 -1.87 -1.60 132.00 129.58 2jjp h PRO 357 Ca 0.56 -0.29 -0.02 0.00 0.11 0.00 0.00 66.00 66.36 2jjp h PRO 357 Cb 1.13 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2jjp h PRO 357 CO -0.67 0.98 0.11 1.25 -0.21 0.00 0.00 178.00 179.46 2jjp h LEU 358 N 0.95 0.38 -0.67 2.35 5.85 -1.46 -1.47 115.31 121.24 2jjp h LEU 358 Ca 0.18 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2jjp h LEU 358 Cb 0.48 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2jjp h LEU 358 CO 0.02 0.44 0.36 0.00 -0.34 0.00 0.00 178.44 178.92 2jjp h ALA 359 N 0.95 0.86 -0.69 1.25 0.00 -1.00 -1.05 119.26 119.58 2jjp h ALA 359 Ca 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2jjp h ALA 359 Cb 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2jjp h ALA 359 CO -0.01 0.38 0.30 0.00 0.00 0.00 0.00 179.25 179.92 2jjp h ARG 360 N 0.92 1.02 -0.42 0.00 3.08 -1.23 -1.29 114.38 116.46 2jjp h ARG 360 Ca 0.24 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 2jjp h ARG 360 Cb 0.04 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 2jjp h ARG 360 CO -0.04 0.83 0.16 1.25 -1.07 0.00 0.00 179.97 181.10 2jjp h LEU 361 N 0.98 0.60 -0.28 3.04 5.85 -0.94 -1.18 115.31 123.38 2jjp h LEU 361 Ca 0.23 -0.18 -0.19 0.00 0.84 0.00 0.00 57.88 58.58 2jjp h LEU 361 Cb 0.17 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2jjp h LEU 361 CO -0.02 0.62 -0.60 -0.33 -0.34 0.00 0.00 178.44 177.77 2jjp h GLU 362 N 0.54 0.85 0.00 1.25 5.08 -0.86 -0.89 114.58 120.55 2jjp h GLU 362 Ca 0.14 -0.57 -0.15 0.00 -1.00 0.00 0.00 59.36 57.77 2jjp h GLU 362 Cb 0.22 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2jjp h GLU 362 CO -0.01 1.20 -0.73 -0.91 -1.00 0.00 0.00 179.01 177.56 2jjp h ASN 363 N 0.64 0.00 -0.01 1.42 2.35 -1.27 0.96 115.58 119.66 2jjp h ASN 363 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jjp h ASN 363 Cb 1.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 2jjp h ASN 363 CO 0.13 0.73 -0.01 -0.09 -1.65 0.00 0.00 177.43 176.55 2jjp h ARG 364 N 0.00 0.03 -0.36 0.81 2.43 -1.11 -2.04 114.38 114.13 2jjp h ARG 364 Ca -0.01 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 2jjp h ARG 364 Cb 1.30 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 2jjp h ARG 364 CO 0.10 0.44 -0.02 0.28 -1.51 0.00 0.00 179.97 179.25 2jjp h VAL 365 N -0.38 1.26 -0.16 0.20 2.07 -1.08 -0.86 116.25 117.31 2jjp h VAL 365 Ca 0.00 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 66.55 2jjp h VAL 365 Cb 0.43 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 2jjp h VAL 365 CO 0.00 0.34 -0.23 0.00 0.02 0.00 0.00 177.57 177.70 2jjp h ALA 366 N 0.86 -0.18 -0.39 1.67 0.00 -0.85 -1.66 119.26 118.71 2jjp h ALA 366 Ca 0.10 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2jjp h ALA 366 Cb 0.49 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2jjp h ALA 366 CO 0.02 -0.68 -0.05 1.25 0.00 0.00 0.00 179.25 179.79 2jjp h LEU 367 N -0.28 0.72 -0.80 0.00 5.85 -1.19 -1.47 115.31 118.13 2jjp h LEU 367 Ca 0.11 -0.34 0.17 0.00 0.84 0.00 0.00 57.88 58.67 2jjp h LEU 367 Cb 0.45 -0.19 -0.15 0.00 0.37 0.00 0.00 40.66 41.13 2jjp h LEU 367 CO -0.32 0.89 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.22 2jjp h GLU 368 N 0.54 0.03 0.00 1.25 5.08 -0.96 -1.19 114.58 119.32 2jjp h GLU 368 Ca 0.10 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 2jjp h GLU 368 Cb 0.55 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2jjp h GLU 368 CO 0.03 0.02 -0.63 0.93 -1.00 0.00 0.00 179.01 178.35 2jjp h GLU 369 N 0.03 0.00 0.11 2.33 4.39 -0.84 -1.42 114.58 119.19 2jjp h GLU 369 Ca 0.41 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.11 2jjp h GLU 369 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2jjp h GLU 369 CO -0.79 0.63 -0.06 0.82 -1.16 0.00 0.00 179.01 178.46 2jjp h ILE 370 N 0.00 1.02 -0.90 3.13 2.04 -0.88 -2.72 117.51 119.21 2jjp h ILE 370 Ca -0.01 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 2jjp h ILE 370 Cb 1.19 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.60 2jjp h ILE 370 CO 0.08 0.13 0.52 0.40 0.00 0.00 0.00 178.15 179.29 2jjp h ILE 371 N -0.41 1.25 -0.63 -0.67 2.04 -1.11 0.11 117.51 118.09 2jjp h ILE 371 Ca -0.02 -0.58 -0.07 0.00 1.00 0.00 0.00 64.86 65.19 2jjp h ILE 371 Cb 0.33 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 2jjp h ILE 371 CO 0.03 0.27 0.12 0.00 0.00 0.00 0.00 178.15 178.57 2jjp h ALA 372 N 1.28 1.02 0.00 1.87 0.00 -1.28 0.37 119.26 122.53 2jjp h ALA 372 Ca 0.32 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2jjp h ALA 372 Cb -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2jjp h ALA 372 CO -0.06 0.63 -0.66 -0.09 0.00 0.00 0.00 179.25 179.08 2jjp h ARG 373 N 0.96 0.00 0.00 0.00 2.43 -1.33 -3.42 114.38 113.02 2jjp h ARG 373 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2jjp h ARG 373 Cb 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2jjp h ARG 373 CO 0.01 0.93 -1.74 1.19 -1.51 0.00 0.00 179.97 178.85 2jjp n PHE 374 N -4.53 0.05 0.00 2.20 3.72 0.37 -4.31 117.46 114.97 2jjp n PHE 374 Ca -0.21 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 2jjp n PHE 374 Cb 0.56 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 2jjp n PHE 374 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jjp n GLY 375 N 1.30 0.51 3.57 1.37 0.00 0.13 -4.35 105.19 107.72 2jjp n GLY 375 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 2jjp n GLY 375 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jjp s ARG 376 N 0.00 0.50 0.13 1.61 1.70 -1.26 -4.72 118.95 116.91 2jjp s ARG 376 Ca 0.00 -0.06 0.07 0.00 -0.47 0.00 0.00 55.73 55.26 2jjp s ARG 376 Cb 0.00 0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 2jjp s ARG 376 CO 0.00 -0.19 -0.15 -0.51 -1.08 0.00 0.00 175.30 173.36 2jjp s LEU 377 N -1.78 2.40 0.08 -1.89 1.43 -1.26 -4.46 118.68 113.20 2jjp s LEU 377 Ca 0.05 -0.81 0.09 0.00 -1.03 0.00 0.00 54.13 52.42 2jjp s LEU 377 Cb -0.01 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.56 2jjp s LEU 377 CO -0.04 -0.11 -0.23 0.28 0.23 0.00 0.00 176.35 176.48 2jjp s THR 378 N -2.04 1.84 0.23 5.49 -1.32 -0.90 -4.67 115.64 114.27 2jjp s THR 378 Ca 0.10 -1.46 -0.30 0.00 -1.21 0.00 0.00 61.69 58.82 2jjp s THR 378 Cb -0.05 -1.63 -0.09 0.00 -1.51 0.00 0.00 72.50 69.22 2jjp s THR 378 CO 0.04 0.10 0.99 -0.69 -2.21 0.00 0.00 174.62 172.85 2jjp s VAL 379 N -0.99 3.97 -0.45 5.08 1.01 -1.26 -1.46 120.40 126.30 2jjp s VAL 379 Ca 0.09 1.91 -0.13 0.00 0.00 0.00 0.00 61.98 63.85 2jjp s VAL 379 Cb -0.10 -4.22 0.08 0.00 0.00 0.00 0.00 36.38 32.14 2jjp s VAL 379 CO 0.04 0.43 0.35 -0.62 0.00 0.00 0.00 175.10 175.29 2jjp s ASP 380 N -0.87 5.95 -0.79 3.32 2.15 -0.31 -4.87 116.67 121.25 2jjp s ASP 380 Ca 0.43 -1.40 -0.01 0.00 0.43 0.00 0.00 52.55 52.00 2jjp s ASP 380 Cb -0.27 -2.11 0.36 0.00 -0.30 0.00 0.00 42.92 40.60 2jjp s ASP 380 CO 0.34 -0.61 1.88 0.54 -0.17 0.00 0.00 175.17 177.15 2jjp n ARG 381 N 5.09 2.91 -0.61 4.34 1.74 -1.26 -4.69 116.66 124.18 2jjp n ARG 381 Ca -0.12 -3.70 0.09 0.00 -0.77 0.00 0.00 57.85 53.35 2jjp n ARG 381 Cb 0.43 -2.27 0.35 0.00 -1.02 0.00 0.00 32.46 29.95 2jjp n ARG 381 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2jjp n ASP 382 N -0.52 4.73 0.00 0.55 8.00 -1.26 -4.45 116.55 123.60 2jjp n ASP 382 Ca 0.51 -2.51 0.00 0.00 0.71 0.00 0.00 54.79 53.50 2jjp n ASP 382 Cb 0.30 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 2jjp n ASP 382 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2jjp n ASP 383 N 0.95 0.00 -3.67 -2.24 2.03 -1.26 -5.15 116.55 107.21 2jjp n ASP 383 Ca 0.25 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.46 2jjp n ASP 383 Cb 0.90 0.03 -0.03 0.00 -0.72 0.00 0.00 41.12 41.30 2jjp n ASP 383 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2jjp s GLU 384 N -1.44 1.34 0.77 -0.67 -1.05 -1.26 -5.16 118.70 111.24 2jjp s GLU 384 Ca 0.00 -0.78 -0.11 0.00 -0.15 0.00 0.00 54.97 53.93 2jjp s GLU 384 Cb 0.00 0.53 0.06 0.00 -0.44 0.00 0.00 34.13 34.28 2jjp s GLU 384 CO 0.00 -0.57 1.08 1.03 0.95 0.00 0.00 175.26 177.76 2jjp s ARG 385 N -3.84 2.27 0.70 -4.83 1.81 -1.26 -4.60 118.95 109.20 2jjp s ARG 385 Ca 0.07 1.05 -0.15 0.00 -1.72 0.00 0.00 55.73 54.98 2jjp s ARG 385 Cb -0.01 -1.91 0.02 0.00 -0.45 0.00 0.00 34.95 32.61 2jjp s ARG 385 CO -0.05 -1.60 1.16 -0.51 -0.68 0.00 0.00 175.30 173.62 2jjp s LEU 386 N -5.87 3.35 -0.78 2.53 1.02 -1.26 -4.96 118.68 112.70 2jjp s LEU 386 Ca 0.61 2.21 -0.14 0.00 0.02 0.00 0.00 54.13 56.83 2jjp s LEU 386 Cb -0.16 -4.57 0.21 0.00 0.02 0.00 0.00 46.19 41.68 2jjp s LEU 386 CO 0.56 -2.00 0.72 -0.60 0.02 0.00 0.00 176.35 175.05 2jjp s ARG 387 N -3.98 3.47 0.58 1.70 3.52 -1.26 -5.05 118.95 117.93 2jjp s ARG 387 Ca 0.71 -2.38 -0.18 0.00 -0.13 0.00 0.00 55.73 53.75 2jjp s ARG 387 Cb -0.25 -4.37 -0.04 0.00 -1.56 0.00 0.00 34.95 28.73 2jjp s ARG 387 CO 0.43 -1.29 1.13 -1.01 -0.81 0.00 0.00 175.30 173.76 2jjp s HIS 388 N 0.31 2.63 0.27 5.12 3.76 -1.26 -0.04 115.29 126.08 2jjp s HIS 388 Ca 0.16 1.54 -0.30 0.00 -0.15 0.00 0.00 55.06 56.32 2jjp s HIS 388 Cb -0.13 -3.27 -0.10 0.00 1.11 0.00 0.00 32.58 30.19 2jjp s HIS 388 CO -0.07 -1.66 1.43 -0.06 -0.85 0.00 0.00 174.74 173.52 2jjp s PHE 389 N -1.92 2.99 -0.30 1.40 0.08 0.12 -4.74 117.98 115.60 2jjp s PHE 389 Ca 0.71 1.07 0.21 0.00 0.12 0.00 0.00 56.93 59.05 2jjp s PHE 389 Cb -0.23 -3.82 0.15 0.00 -0.57 0.00 0.00 43.02 38.54 2jjp s PHE 389 CO 0.32 -2.61 1.34 0.93 -0.10 0.00 0.00 175.22 175.10 2jjp h GLU 390 N 4.73 0.00 0.00 0.44 4.39 -1.90 -3.31 114.58 118.92 2jjp h GLU 390 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2jjp h GLU 390 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2jjp h GLU 390 CO 0.76 0.11 0.00 0.00 -1.16 0.00 0.00 179.01 178.71 2jjp n GLN 391 N -2.97 0.00 0.10 2.33 10.64 -1.26 -3.81 117.38 122.41 2jjp n GLN 391 Ca 0.01 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 54.94 2jjp n GLN 391 Cb 0.60 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.83 2jjp n GLN 391 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 2jjp h ILE 392 N 0.00 1.08 -2.59 -0.39 1.08 -1.90 -3.46 117.51 111.33 2jjp h ILE 392 Ca 0.00 -2.60 -0.58 0.00 -0.39 0.00 0.00 64.86 61.30 2jjp h ILE 392 Cb 0.00 2.88 -0.10 0.00 -3.07 0.00 0.00 36.82 36.53 2jjp h ILE 392 CO 0.00 0.84 -0.63 0.68 -0.69 0.00 0.00 178.15 178.35 2jjp s VAL 393 N -2.59 3.77 -0.54 1.67 -7.23 -1.26 -4.43 120.40 109.78 2jjp s VAL 393 Ca -0.13 -1.55 -0.17 0.00 -1.81 0.00 0.00 61.98 58.33 2jjp s VAL 393 Cb 0.05 -2.95 0.11 0.00 0.56 0.00 0.00 36.38 34.16 2jjp s VAL 393 CO 0.89 -0.21 0.54 -0.22 -0.31 0.00 0.00 175.10 175.79 2jjp s LEU 394 N -3.27 5.90 0.00 1.32 2.96 0.48 -4.65 118.68 121.43 2jjp s LEU 394 Ca 0.29 -1.62 0.00 0.00 -0.22 0.00 0.00 54.13 52.58 2jjp s LEU 394 Cb -0.08 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.37 2jjp s LEU 394 CO 0.20 -0.89 0.00 0.61 -1.32 0.00 0.00 176.35 174.95 2jjp n GLY 395 N 5.25 -0.67 3.34 7.98 0.00 -1.26 -4.47 105.19 115.36 2jjp n GLY 395 Ca -0.13 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 2jjp n GLY 395 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jjp s THR 396 N -3.00 2.10 0.19 2.61 -4.23 -1.26 -0.71 115.64 111.34 2jjp s THR 396 Ca 0.00 -1.48 -0.02 0.00 -1.18 0.00 0.00 61.69 59.00 2jjp s THR 396 Cb 0.00 -1.82 -0.06 0.00 1.34 0.00 0.00 72.50 71.95 2jjp s THR 396 CO 0.00 0.25 1.50 0.03 -0.54 0.00 0.00 174.62 175.85 2jjp h ARG 397 N 4.50 0.50 -4.91 3.99 3.08 -0.75 -3.46 114.38 117.33 2jjp h ARG 397 Ca -0.47 -0.33 -0.30 0.00 0.07 0.00 0.00 59.98 58.94 2jjp h ARG 397 Cb 1.15 0.05 -0.17 0.00 0.08 0.00 0.00 29.97 31.08 2jjp h ARG 397 CO 0.42 0.94 -0.72 -1.01 -1.07 0.00 0.00 179.97 178.53 2jjp s HIS 398 N -3.90 1.06 -0.39 3.04 3.76 -1.26 -4.90 115.29 112.70 2jjp s HIS 398 Ca -0.07 -0.72 0.03 0.00 -0.15 0.00 0.00 55.06 54.15 2jjp s HIS 398 Cb 0.11 -0.58 0.16 0.00 1.11 0.00 0.00 32.58 33.38 2jjp s HIS 398 CO 0.84 -0.01 0.32 -1.17 -0.85 0.00 0.00 174.74 173.87 2jjp s LEU 399 N -2.68 0.72 0.27 0.89 2.96 -1.26 -4.56 118.68 115.02 2jjp s LEU 399 Ca 0.09 -2.32 -0.30 0.00 -0.22 0.00 0.00 54.13 51.38 2jjp s LEU 399 Cb -0.00 -0.04 -0.10 0.00 0.50 0.00 0.00 46.19 46.54 2jjp s LEU 399 CO -0.01 -0.23 1.48 -2.16 -1.32 0.00 0.00 176.35 174.10 2jjp s PRO 400 N 0.80 4.22 0.26 0.98 0.04 -1.26 -0.70 135.00 139.34 2jjp s PRO 400 Ca 0.24 2.39 0.02 0.00 0.04 0.00 0.00 61.00 63.69 2jjp s PRO 400 Cb -0.11 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.30 2jjp s PRO 400 CO -0.07 -0.47 0.05 0.14 0.04 0.00 0.00 177.00 176.69 2jjp s VAL 401 N -0.15 0.84 -0.04 -0.36 -7.23 0.89 -1.16 120.40 113.19 2jjp s VAL 401 Ca 0.59 -2.01 -0.00 0.00 -1.81 0.00 0.00 61.98 58.75 2jjp s VAL 401 Cb -0.44 -2.55 0.03 0.00 0.56 0.00 0.00 36.38 33.98 2jjp s VAL 401 CO 0.46 -0.13 0.02 -0.76 -0.31 0.00 0.00 175.10 174.38 2jjp s LEU 402 N -3.34 0.89 -0.09 1.32 1.43 -0.54 -2.50 118.68 115.86 2jjp s LEU 402 Ca 0.34 -0.00 -0.21 0.00 -1.03 0.00 0.00 54.13 53.22 2jjp s LEU 402 Cb 0.07 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 46.04 2jjp s LEU 402 CO 0.12 -0.14 0.61 0.00 0.23 0.00 0.00 176.35 177.16 2jjp s ALA 403 N 1.36 3.40 0.04 4.21 0.00 -0.36 -2.12 121.76 128.29 2jjp s ALA 403 Ca -0.05 -0.00 -0.15 0.00 0.00 0.00 0.00 51.96 51.76 2jjp s ALA 403 Cb -0.13 -2.83 -0.35 0.00 0.00 0.00 0.00 23.12 19.81 2jjp s ALA 403 CO -0.03 -0.06 1.02 0.78 0.00 0.00 0.00 175.76 177.47 2jjp h GLY 404 N 6.76 0.61 -3.19 0.00 0.00 -1.87 -3.46 103.07 101.92 2jjp h GLY 404 Ca -0.41 -1.53 -0.61 0.00 0.00 0.00 0.00 47.33 44.77 2jjp h GLY 404 CO 0.75 1.34 -0.71 -0.56 0.00 0.00 0.00 176.54 177.36 2jjp s SER 405 N -7.55 4.23 -0.21 0.19 0.01 -1.26 -5.10 113.70 104.01 2jjp s SER 405 Ca -0.09 -0.63 -0.33 0.00 1.31 0.00 0.00 55.95 56.21 2jjp s SER 405 Cb 0.04 -0.70 0.15 0.00 0.21 0.00 0.00 66.02 65.72 2jjp s SER 405 CO 0.94 0.08 1.21 -0.94 0.41 0.00 0.00 173.24 174.95 2jjp s SER 406 N -3.02 -0.14 0.00 2.44 1.04 -1.26 -4.54 113.70 108.21 2jjp s SER 406 Ca 0.26 0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.80 2jjp s SER 406 Cb -0.08 0.14 0.28 0.00 0.10 0.00 0.00 66.02 66.46 2jjp s SER 406 CO 0.16 -0.20 0.93 -2.65 0.98 0.00 0.00 173.24 172.45 2jjp n PRO 407 N 0.14 0.11 0.14 4.02 -0.02 -1.26 -2.24 135.00 135.89 2jjp n PRO 407 Ca -0.01 0.15 0.02 0.00 -2.02 0.00 0.00 63.50 61.64 2jjp n PRO 407 Cb 0.58 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.62 2jjp n PRO 407 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jjp h ARG 408 N 0.00 0.00 -6.73 -0.52 3.08 -1.96 -3.46 114.38 104.79 2jjp h ARG 408 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2jjp h ARG 408 Cb 0.03 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.13 2jjp h ARG 408 CO 0.00 0.53 0.75 -0.65 -1.07 0.00 0.00 179.97 179.53 2jjp s GLN 409 N -3.03 4.28 0.31 0.04 -0.21 -0.95 -5.00 119.66 115.10 2jjp s GLN 409 Ca 0.03 2.27 0.07 0.00 0.02 0.00 0.00 55.36 57.74 2jjp s GLN 409 Cb 0.08 -3.12 -0.06 0.00 1.00 0.00 0.00 33.01 30.91 2jjp s GLN 409 CO 0.74 -0.40 -0.04 0.45 -2.12 0.00 0.00 175.29 173.92 2jjp s SER 410 N 0.40 2.98 0.00 5.90 0.15 -1.26 -5.04 113.70 116.83 2jjp s SER 410 Ca 0.59 -1.25 0.28 0.00 0.70 0.00 0.00 55.95 56.28 2jjp s SER 410 Cb -0.41 -0.21 1.66 0.00 -1.71 0.00 0.00 66.02 65.35 2jjp s SER 410 CO 0.42 -0.38 2.01 0.00 1.20 0.00 0.00 173.24 176.48