#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jdp s LEU 3 N 0.00 2.25 0.98 0.00 0.20 -1.26 -5.13 118.68 115.72 1jdp s LEU 3 Ca 0.00 -0.45 -0.12 0.00 0.69 0.00 0.00 54.13 54.24 1jdp s LEU 3 Cb 0.00 -1.44 0.18 0.00 -0.43 0.00 0.00 46.19 44.50 1jdp s LEU 3 CO 0.00 0.23 1.11 -2.16 -0.29 0.00 0.00 176.35 175.24 1jdp s PRO 4 N -0.09 0.58 0.46 0.98 0.04 -1.26 -4.77 135.00 130.94 1jdp s PRO 4 Ca -0.05 0.42 -0.25 0.00 0.04 0.00 0.00 61.00 61.16 1jdp s PRO 4 Cb -0.14 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 1jdp s PRO 4 CO 0.04 -2.61 1.44 -2.14 0.04 0.00 0.00 177.00 173.77 1jdp s PRO 5 N -5.07 3.63 -0.15 0.56 0.02 -1.26 -4.81 135.00 127.93 1jdp s PRO 5 Ca 0.65 2.44 -0.07 0.00 0.02 0.00 0.00 61.00 64.04 1jdp s PRO 5 Cb -0.17 -2.63 -0.04 0.00 0.02 0.00 0.00 34.50 31.68 1jdp s PRO 5 CO 0.56 -0.87 0.10 -1.14 -0.33 0.00 0.00 177.00 175.32 1jdp s GLN 6 N -2.49 3.68 -0.35 5.54 2.00 -1.26 -4.84 119.66 121.93 1jdp s GLN 6 Ca 0.62 -0.25 0.01 0.00 -2.00 0.00 0.00 55.36 53.74 1jdp s GLN 6 Cb -0.44 -3.19 0.10 0.00 0.80 0.00 0.00 33.01 30.28 1jdp s GLN 6 CO 0.57 0.53 0.09 0.15 -0.50 0.00 0.00 175.29 176.12 1jdp s LYS 7 N -0.33 1.82 -0.25 1.67 -0.14 -1.26 -0.05 119.74 121.19 1jdp s LYS 7 Ca 0.10 -1.75 -0.09 0.00 -1.36 0.00 0.00 55.97 52.86 1jdp s LYS 7 Cb -0.12 -3.31 -0.04 0.00 -1.68 0.00 0.00 37.83 32.68 1jdp s LYS 7 CO 0.01 -0.92 0.13 0.42 -0.76 0.00 0.00 175.35 174.24 1jdp s ILE 8 N 1.04 4.98 -0.24 2.17 1.01 -0.88 -4.97 121.20 124.30 1jdp s ILE 8 Ca 0.07 0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.58 1jdp s ILE 8 Cb -0.20 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 1jdp s ILE 8 CO -0.06 0.32 0.56 -0.70 0.00 0.00 0.00 174.94 175.06 1jdp s GLU 9 N 1.41 4.12 -0.10 2.79 2.56 -1.26 -0.47 118.70 127.75 1jdp s GLU 9 Ca 0.06 0.44 0.01 0.00 0.00 0.00 0.00 54.97 55.48 1jdp s GLU 9 Cb -0.15 -3.62 -0.02 0.00 2.00 0.00 0.00 34.13 32.34 1jdp s GLU 9 CO 0.06 -0.31 -0.11 0.08 -0.56 0.00 0.00 175.26 174.42 1jdp s VAL 10 N 2.18 3.27 -0.24 3.70 1.01 0.13 -0.38 120.40 130.08 1jdp s VAL 10 Ca 0.24 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 1jdp s VAL 10 Cb -0.16 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1jdp s VAL 10 CO 0.09 0.55 -0.01 -0.22 0.00 0.00 0.00 175.10 175.51 1jdp s LEU 11 N -0.15 3.11 -0.22 3.92 0.20 0.35 -0.12 118.68 125.77 1jdp s LEU 11 Ca 0.00 -0.44 -0.06 0.00 0.69 0.00 0.00 54.13 54.33 1jdp s LEU 11 Cb -0.13 -1.78 -0.02 0.00 -0.43 0.00 0.00 46.19 43.83 1jdp s LEU 11 CO 0.03 -0.05 0.02 -0.69 -0.29 0.00 0.00 176.35 175.37 1jdp s VAL 12 N 1.49 3.95 -0.39 1.68 1.01 0.80 -0.32 120.40 128.63 1jdp s VAL 12 Ca 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1jdp s VAL 12 Cb -0.15 -2.81 0.11 0.00 0.00 0.00 0.00 36.38 33.52 1jdp s VAL 12 CO -0.02 0.39 0.16 -0.76 0.00 0.00 0.00 175.10 174.88 1jdp s LEU 13 N 1.34 5.09 0.09 3.92 1.43 0.72 -0.52 118.68 130.75 1jdp s LEU 13 Ca 0.04 -2.03 -0.04 0.00 -1.03 0.00 0.00 54.13 51.07 1jdp s LEU 13 Cb -0.15 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1jdp s LEU 13 CO 0.01 -0.50 0.09 -0.76 0.23 0.00 0.00 176.35 175.42 1jdp s LEU 14 N 1.09 1.85 0.33 1.79 1.43 -1.03 -3.33 118.68 120.81 1jdp s LEU 14 Ca 0.08 -0.93 -0.29 0.00 -1.03 0.00 0.00 54.13 51.96 1jdp s LEU 14 Cb -0.22 0.57 -0.10 0.00 0.03 0.00 0.00 46.19 46.47 1jdp s LEU 14 CO -0.05 -0.70 1.37 -2.84 0.23 0.00 0.00 176.35 174.36 1jdp s PRO 15 N -3.94 4.29 0.14 1.29 0.02 -1.26 -0.89 135.00 134.64 1jdp s PRO 15 Ca 0.11 2.31 0.03 0.00 0.02 0.00 0.00 61.00 63.47 1jdp s PRO 15 Cb 0.06 -3.05 -0.10 0.00 0.02 0.00 0.00 34.50 31.43 1jdp s PRO 15 CO -0.06 -0.30 1.32 0.37 -0.33 0.00 0.00 177.00 177.99 1jdp h GLN 16 N 3.55 0.15 -6.24 5.54 5.75 -1.93 0.76 115.11 122.68 1jdp h GLN 16 Ca -0.49 -0.19 -0.55 0.00 -0.15 0.00 0.00 58.65 57.27 1jdp h GLN 16 Cb 1.23 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.84 1jdp h GLN 16 CO 0.67 1.00 1.26 0.34 -2.65 0.00 0.00 178.83 179.45 1jdp s ASP 17 N -6.91 6.23 0.00 -0.69 3.68 -1.26 -4.65 116.67 113.07 1jdp s ASP 17 Ca -0.02 2.24 0.14 0.00 2.13 0.00 0.00 52.55 57.04 1jdp s ASP 17 Cb 0.10 -2.53 0.81 0.00 -1.45 0.00 0.00 42.92 39.85 1jdp s ASP 17 CO 0.83 -1.29 1.24 0.47 0.13 0.00 0.00 175.17 176.55 1jdp n ASP 18 N 8.64 0.00 0.26 -0.34 10.43 -1.26 -2.58 116.55 131.70 1jdp n ASP 18 Ca 0.22 -0.63 0.12 0.00 2.57 0.00 0.00 54.79 57.07 1jdp n ASP 18 Cb 0.43 0.00 0.69 0.00 1.84 0.00 0.00 41.12 44.08 1jdp n ASP 18 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 1jdp h SER 19 N 0.00 0.00 -3.33 -2.24 0.02 -1.96 -3.42 113.55 102.62 1jdp h SER 19 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 1jdp h SER 19 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1jdp h SER 19 CO 0.00 0.13 -0.04 -0.31 -1.14 0.00 0.00 176.83 175.48 1jdp s TYR 20 N -4.12 3.69 -1.11 3.45 1.51 -1.06 -4.96 117.35 114.74 1jdp s TYR 20 Ca -0.02 1.19 0.16 0.00 -1.01 0.00 0.00 57.07 57.38 1jdp s TYR 20 Cb 0.13 -2.45 0.71 0.00 -0.11 0.00 0.00 41.96 40.23 1jdp s TYR 20 CO 0.59 0.47 1.49 1.28 -1.11 0.00 0.00 175.55 178.28 1jdp n LEU 21 N 1.13 0.00 -0.70 -1.29 4.77 -1.26 -2.80 117.00 116.84 1jdp n LEU 21 Ca -0.07 0.44 0.06 0.00 -0.03 0.00 0.00 56.01 56.42 1jdp n LEU 21 Cb 0.51 -0.44 0.19 0.00 -2.33 0.00 0.00 43.42 41.34 1jdp n LEU 21 CO 0.42 -0.21 0.33 2.22 -1.33 0.00 0.00 177.39 178.82 1jdp n PHE 22 N -1.44 0.00 -0.85 -1.77 1.16 -1.26 -4.72 117.46 108.58 1jdp n PHE 22 Ca 0.05 -1.37 -0.30 0.00 -1.87 0.00 0.00 57.45 53.96 1jdp n PHE 22 Cb 0.17 -0.24 0.17 0.00 -1.61 0.00 0.00 39.48 37.97 1jdp n PHE 22 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1jdp s SER 23 N -3.08 2.78 0.17 5.98 1.04 -1.12 -4.37 113.70 115.09 1jdp s SER 23 Ca 0.37 1.82 -0.19 0.00 0.48 0.00 0.00 55.95 58.43 1jdp s SER 23 Cb 0.37 -2.41 0.09 0.00 0.10 0.00 0.00 66.02 64.17 1jdp s SER 23 CO -0.08 -3.13 1.64 -0.07 0.98 0.00 0.00 173.24 172.58 1jdp h LEU 24 N -1.89 -0.61 -0.78 2.42 3.38 -1.08 -1.83 115.31 114.93 1jdp h LEU 24 Ca -0.49 0.14 0.10 0.00 0.09 0.00 0.00 57.88 57.73 1jdp h LEU 24 Cb 1.28 0.33 -0.08 0.00 0.09 0.00 0.00 40.66 42.29 1jdp h LEU 24 CO 0.48 -0.21 0.41 0.74 0.09 0.00 0.00 178.44 179.94 1jdp h THR 25 N -0.11 0.84 -0.10 0.22 2.02 -1.86 0.28 112.91 114.20 1jdp h THR 25 Ca 0.19 -0.23 -0.18 0.00 0.77 0.00 0.00 66.41 66.96 1jdp h THR 25 Cb 0.40 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1jdp h THR 25 CO -0.45 0.12 -0.70 0.03 0.37 0.00 0.00 175.52 174.89 1jdp h ARG 26 N 0.67 0.44 0.00 6.66 3.08 -1.83 -3.35 114.38 120.05 1jdp h ARG 26 Ca 0.39 -0.35 -0.26 0.00 0.07 0.00 0.00 59.98 59.83 1jdp h ARG 26 Cb 0.42 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.49 1jdp h ARG 26 CO -0.28 0.98 -1.68 0.28 -1.07 0.00 0.00 179.97 178.20 1jdp n VAL 27 N -3.86 1.48 -0.02 2.04 0.31 -0.72 -4.40 118.33 113.16 1jdp n VAL 27 Ca -0.04 -0.77 -0.10 0.00 -0.01 0.00 0.00 64.34 63.42 1jdp n VAL 27 Cb 0.69 -0.92 -0.03 0.00 -0.91 0.00 0.00 33.84 32.67 1jdp n VAL 27 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1jdp h ARG 28 N 0.00 -0.34 -1.04 5.55 2.43 -0.60 -0.87 114.38 119.50 1jdp h ARG 28 Ca -0.27 0.02 0.29 0.00 -0.81 0.00 0.00 59.98 59.21 1jdp h ARG 28 Cb 1.91 0.08 -0.12 0.00 -0.42 0.00 0.00 29.97 31.42 1jdp h ARG 28 CO 0.07 -0.22 0.64 -1.35 -1.51 0.00 0.00 179.97 177.59 1jdp h PRO 29 N -0.35 0.41 -0.55 0.20 0.11 -1.77 0.23 132.00 130.28 1jdp h PRO 29 Ca 0.11 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.10 1jdp h PRO 29 Cb 0.53 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 1jdp h PRO 29 CO -0.38 0.27 -0.04 0.00 -0.21 0.00 0.00 178.00 177.65 1jdp h ALA 30 N 1.71 0.75 -0.14 -0.75 0.00 -1.39 0.17 119.26 119.61 1jdp h ALA 30 Ca 0.67 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 1jdp h ALA 30 Cb 1.53 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1jdp h ALA 30 CO -0.44 0.61 -0.23 0.82 0.00 0.00 0.00 179.25 180.00 1jdp h ILE 31 N 0.88 1.36 -0.23 0.00 2.04 -0.17 -2.60 117.51 118.80 1jdp h ILE 31 Ca 0.15 -1.48 0.03 0.00 1.00 0.00 0.00 64.86 64.57 1jdp h ILE 31 Cb 0.59 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 1jdp h ILE 31 CO 0.04 0.44 0.05 -0.33 0.00 0.00 0.00 178.15 178.34 1jdp h GLU 32 N 0.01 0.13 -0.53 2.37 5.08 -0.84 0.29 114.58 121.10 1jdp h GLU 32 Ca 0.01 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1jdp h GLU 32 Cb 0.81 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.96 1jdp h GLU 32 CO 0.05 0.09 0.10 -0.92 -1.00 0.00 0.00 179.01 177.33 1jdp h TYR 33 N 0.14 0.16 -0.84 4.33 3.20 -0.95 0.10 116.97 123.11 1jdp h TYR 33 Ca 0.10 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 1jdp h TYR 33 Cb 0.10 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 1jdp h TYR 33 CO -0.15 -0.02 0.42 0.00 -1.64 0.00 0.00 178.16 176.76 1jdp h ALA 34 N 1.42 1.08 -0.25 1.82 0.00 -0.90 -2.37 119.26 120.06 1jdp h ALA 34 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jdp h ALA 34 Cb 0.38 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jdp h ALA 34 CO -0.36 0.63 0.16 -0.07 0.00 0.00 0.00 179.25 179.61 1jdp h LEU 35 N 1.18 0.28 0.43 0.00 4.07 0.11 -0.29 115.31 121.10 1jdp h LEU 35 Ca 0.29 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 1jdp h LEU 35 Cb 0.10 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.75 1jdp h LEU 35 CO -0.04 0.21 -0.44 0.03 -1.08 0.00 0.00 178.44 177.12 1jdp h ARG 36 N 0.34 -0.83 -1.53 1.13 3.08 -0.75 0.35 114.38 116.15 1jdp h ARG 36 Ca 0.09 0.06 0.47 0.00 0.07 0.00 0.00 59.98 60.67 1jdp h ARG 36 Cb -0.04 0.19 -0.10 0.00 0.08 0.00 0.00 29.97 30.10 1jdp h ARG 36 CO -0.02 -0.56 1.05 1.03 -1.07 0.00 0.00 179.97 180.40 1jdp h SER 37 N -0.87 0.13 0.15 7.04 0.87 -1.19 0.23 113.55 119.93 1jdp h SER 37 Ca -0.05 0.08 -0.23 0.00 -1.23 0.00 0.00 61.79 60.35 1jdp h SER 37 Cb 0.75 0.07 0.02 0.00 -0.44 0.00 0.00 62.40 62.80 1jdp h SER 37 CO -0.06 -0.10 -1.08 1.62 -0.53 0.00 0.00 176.83 176.68 1jdp h VAL 38 N 0.05 1.34 -0.67 2.23 3.04 0.56 -3.37 116.25 119.42 1jdp h VAL 38 Ca 0.84 -2.52 -0.73 0.00 -1.01 0.00 0.00 66.70 63.27 1jdp h VAL 38 Cb 2.96 3.05 -0.09 0.00 -2.01 0.00 0.00 31.29 35.20 1jdp h VAL 38 CO -0.24 0.73 2.71 -0.62 -1.01 0.00 0.00 177.57 179.14 1jdp n GLU 39 N -4.01 3.46 0.00 4.17 1.02 0.11 -4.77 120.64 120.62 1jdp n GLU 39 Ca -0.17 -3.01 0.00 0.00 -0.02 0.00 0.00 57.16 53.95 1jdp n GLU 39 Cb 0.89 -3.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.30 1jdp n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jdp n GLY 40 N 3.25 -1.08 3.43 0.62 0.00 -1.24 -4.88 105.19 105.29 1jdp n GLY 40 Ca 0.52 0.32 0.02 0.00 0.00 0.00 0.00 46.02 46.87 1jdp n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jdp s ARG 46 N 0.00 0.16 0.34 1.61 0.52 -1.26 -5.02 118.95 115.29 1jdp s ARG 46 Ca 0.00 0.34 0.23 0.00 -0.52 0.00 0.00 55.73 55.78 1jdp s ARG 46 Cb 0.00 0.14 0.24 0.00 0.52 0.00 0.00 34.95 35.86 1jdp s ARG 46 CO 0.00 -0.04 1.41 -0.07 0.02 0.00 0.00 175.30 176.62 1jdp h LEU 47 N 6.53 0.00 -9.24 2.53 3.38 -1.97 -3.46 115.31 113.08 1jdp h LEU 47 Ca -0.19 -0.01 -0.67 0.00 0.09 0.00 0.00 57.88 57.09 1jdp h LEU 47 Cb 1.14 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.73 1jdp h LEU 47 CO 0.13 0.00 -0.68 -0.76 0.09 0.00 0.00 178.44 177.23 1jdp s LEU 48 N -5.76 3.30 0.03 1.67 1.43 -1.26 -4.82 118.68 113.26 1jdp s LEU 48 Ca 0.05 -0.07 -0.39 0.00 -1.03 0.00 0.00 54.13 52.69 1jdp s LEU 48 Cb 0.07 -1.86 -0.20 0.00 0.03 0.00 0.00 46.19 44.24 1jdp s LEU 48 CO 0.71 0.30 1.02 -2.65 0.23 0.00 0.00 176.35 175.96 1jdp n PRO 49 N 1.63 0.04 -1.22 1.29 -0.02 -1.26 -4.86 135.00 130.61 1jdp n PRO 49 Ca -0.16 0.02 -0.35 0.00 -2.02 0.00 0.00 63.50 60.99 1jdp n PRO 49 Cb 0.53 -1.47 0.10 0.00 -0.02 0.00 0.00 33.50 32.64 1jdp n PRO 49 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1jdp n PRO 50 N 1.48 0.31 0.00 0.52 -0.04 -1.26 -2.12 135.00 133.88 1jdp n PRO 50 Ca 0.20 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1jdp n PRO 50 Cb 0.10 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1jdp n PRO 50 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jdp n GLY 51 N 1.04 3.21 3.65 0.55 0.00 -1.26 -4.09 105.19 108.30 1jdp n GLY 51 Ca 0.12 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.66 1jdp n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jdp n THR 52 N -1.67 0.10 -3.98 2.61 -1.04 -0.90 -4.54 114.28 104.86 1jdp n THR 52 Ca 0.00 -0.02 -0.14 0.00 -2.04 0.00 0.00 64.05 61.85 1jdp n THR 52 Cb 0.00 -1.38 -0.15 0.00 -1.82 0.00 0.00 70.33 66.99 1jdp n THR 52 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1jdp s ARG 53 N 1.43 0.19 -0.14 -2.82 1.81 0.93 -4.86 118.95 115.48 1jdp s ARG 53 Ca 0.84 -0.05 -0.11 0.00 -1.72 0.00 0.00 55.73 54.68 1jdp s ARG 53 Cb -0.78 -0.22 -0.05 0.00 -0.45 0.00 0.00 34.95 33.45 1jdp s ARG 53 CO 0.44 0.01 0.23 -0.06 -0.68 0.00 0.00 175.30 175.24 1jdp s PHE 54 N 0.15 3.51 -0.26 -0.53 0.40 -1.26 -2.07 117.98 117.92 1jdp s PHE 54 Ca -0.01 0.56 -0.07 0.00 -0.60 0.00 0.00 56.93 56.81 1jdp s PHE 54 Cb -0.03 -2.20 -0.01 0.00 0.51 0.00 0.00 43.02 41.29 1jdp s PHE 54 CO -0.00 0.42 0.06 -0.65 0.70 0.00 0.00 175.22 175.74 1jdp s GLN 55 N -0.10 3.43 -0.17 0.44 1.11 0.38 -4.95 119.66 119.79 1jdp s GLN 55 Ca 0.15 -0.63 -0.03 0.00 0.01 0.00 0.00 55.36 54.87 1jdp s GLN 55 Cb -0.13 -3.30 -0.02 0.00 -1.01 0.00 0.00 33.01 28.56 1jdp s GLN 55 CO 0.04 -0.28 -0.07 0.08 0.01 0.00 0.00 175.29 175.07 1jdp s VAL 56 N 1.56 3.42 -0.21 1.09 1.01 -1.26 0.22 120.40 126.22 1jdp s VAL 56 Ca 0.05 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 1jdp s VAL 56 Cb -0.16 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1jdp s VAL 56 CO 0.02 0.47 0.07 0.00 0.00 0.00 0.00 175.10 175.67 1jdp s ALA 57 N 0.80 3.30 -0.37 5.51 0.00 0.82 -4.97 121.76 126.85 1jdp s ALA 57 Ca -0.02 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 1jdp s ALA 57 Cb -0.15 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 20.99 1jdp s ALA 57 CO 0.01 -0.11 0.22 0.71 0.00 0.00 0.00 175.76 176.59 1jdp s TYR 58 N 0.92 3.23 -0.01 0.00 1.51 -1.26 -0.14 117.35 121.60 1jdp s TYR 58 Ca 0.04 -0.71 0.08 0.00 -1.01 0.00 0.00 57.07 55.46 1jdp s TYR 58 Cb -0.14 -2.47 -0.02 0.00 -0.11 0.00 0.00 41.96 39.23 1jdp s TYR 58 CO 0.03 -0.57 -0.25 -2.00 -1.11 0.00 0.00 175.55 171.65 1jdp s GLU 59 N 1.61 2.01 0.00 -0.62 2.56 0.32 -4.99 118.70 119.59 1jdp s GLU 59 Ca 0.04 -0.93 -0.30 0.00 0.00 0.00 0.00 54.97 53.77 1jdp s GLU 59 Cb -0.19 -1.97 -0.07 0.00 2.00 0.00 0.00 34.13 33.91 1jdp s GLU 59 CO 0.08 0.54 1.61 0.34 -0.56 0.00 0.00 175.26 177.27 1jdp s ASP 60 N -0.68 6.67 0.18 -1.70 3.68 -1.26 -2.46 116.67 121.10 1jdp s ASP 60 Ca 0.10 2.31 0.19 0.00 2.13 0.00 0.00 52.55 57.28 1jdp s ASP 60 Cb -0.10 -2.55 -0.01 0.00 -1.45 0.00 0.00 42.92 38.81 1jdp s ASP 60 CO -0.01 -0.88 1.08 0.77 0.13 0.00 0.00 175.17 176.27 1jdp h SER 61 N 8.80 0.00 -0.93 -0.34 4.64 -1.31 -3.38 113.55 121.03 1jdp h SER 61 Ca -0.40 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.56 1jdp h SER 61 Cb 1.19 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.13 1jdp h SER 61 CO 0.94 0.33 -0.33 -0.67 -0.87 0.00 0.00 176.83 176.23 1jdp n ASP 62 N -2.91 -5.29 -4.24 4.97 2.03 -1.26 -1.51 116.55 108.34 1jdp n ASP 62 Ca -0.03 0.44 -0.36 0.00 0.52 0.00 0.00 54.79 55.35 1jdp n ASP 62 Cb 0.70 -4.50 -0.03 0.00 -0.72 0.00 0.00 41.12 36.57 1jdp n ASP 62 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jdp n GLY 64 N -1.42 3.21 0.25 0.00 0.00 -0.57 -4.66 105.19 102.00 1jdp n GLY 64 Ca 0.05 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.02 1jdp n GLY 64 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jdp h ASN 65 N 0.00 0.00 -0.42 1.61 2.35 -1.86 -3.05 115.58 114.21 1jdp h ASN 65 Ca 0.00 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1jdp h ASN 65 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1jdp h ASN 65 CO 0.00 0.13 0.29 -0.09 -1.65 0.00 0.00 177.43 176.11 1jdp h ARG 66 N 0.00 0.24 -0.43 0.81 2.43 -1.88 -1.47 114.38 114.08 1jdp h ARG 66 Ca -0.00 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1jdp h ARG 66 Cb 0.30 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1jdp h ARG 66 CO 0.02 0.16 0.24 0.00 -1.51 0.00 0.00 179.97 178.88 1jdp h ALA 67 N 1.78 0.54 -0.02 2.80 0.00 -1.42 -0.22 119.26 122.72 1jdp h ALA 67 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1jdp h ALA 67 Cb 0.43 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1jdp h ALA 67 CO -0.04 -0.10 0.01 1.25 0.00 0.00 0.00 179.25 180.37 1jdp h LEU 68 N 0.48 0.02 -0.99 0.00 5.85 -1.49 -2.46 115.31 116.72 1jdp h LEU 68 Ca 0.18 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.86 1jdp h LEU 68 Cb 0.04 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 1jdp h LEU 68 CO -0.10 0.15 0.63 -0.26 -0.34 0.00 0.00 178.44 178.51 1jdp h PHE 69 N -0.10 1.14 -0.19 1.25 0.05 -1.07 -1.39 116.94 116.64 1jdp h PHE 69 Ca 0.01 0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.77 1jdp h PHE 69 Cb 0.13 -0.37 -0.00 0.00 2.00 0.00 0.00 35.95 37.71 1jdp h PHE 69 CO -0.03 0.51 -0.09 0.77 -0.18 0.00 0.00 178.31 179.29 1jdp h SER 70 N 1.05 0.41 -0.13 2.17 0.02 -0.92 0.12 113.55 116.27 1jdp h SER 70 Ca 0.46 -0.41 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1jdp h SER 70 Cb 0.34 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1jdp h SER 70 CO -0.23 0.73 0.03 0.25 -1.14 0.00 0.00 176.83 176.48 1jdp h LEU 71 N 0.09 0.03 -0.32 5.07 6.46 -1.18 -1.33 115.31 124.13 1jdp h LEU 71 Ca 0.04 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.75 1jdp h LEU 71 Cb 0.58 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 1jdp h LEU 71 CO 0.03 0.04 -0.05 0.58 -0.62 0.00 0.00 178.44 178.42 1jdp h VAL 72 N 0.09 1.27 -0.16 1.05 2.07 -1.23 -1.22 116.25 118.12 1jdp h VAL 72 Ca 0.06 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 1jdp h VAL 72 Cb 0.04 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1jdp h VAL 72 CO -0.07 0.34 0.10 0.44 0.02 0.00 0.00 177.57 178.41 1jdp h ASP 73 N 0.38 0.19 0.16 0.57 3.32 -0.66 0.33 116.42 120.71 1jdp h ASP 73 Ca 0.08 -0.01 -0.24 0.00 0.02 0.00 0.00 57.03 56.89 1jdp h ASP 73 Cb 0.53 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.04 1jdp h ASP 73 CO 0.03 0.15 -0.93 0.03 -1.72 0.00 0.00 179.24 176.79 1jdp h ARG 74 N 0.22 0.56 0.14 3.56 3.08 -0.96 -3.04 114.38 117.94 1jdp h ARG 74 Ca 0.06 -0.56 -0.31 0.00 0.07 0.00 0.00 59.98 59.24 1jdp h ARG 74 Cb -0.01 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1jdp h ARG 74 CO -0.01 1.19 -1.55 0.28 -1.07 0.00 0.00 179.97 178.80 1jdp h VAL 75 N 0.33 0.97 -0.16 2.04 2.07 -0.58 -3.08 116.25 117.84 1jdp h VAL 75 Ca -0.09 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.00 1jdp h VAL 75 Cb 1.57 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 34.05 1jdp h VAL 75 CO 0.17 0.76 0.00 0.00 0.02 0.00 0.00 177.57 178.53 1jdp n ALA 76 N -2.94 2.52 -1.35 1.67 0.00 0.11 -3.82 120.51 116.70 1jdp n ALA 76 Ca -0.25 -0.45 -0.31 0.00 0.00 0.00 0.00 53.44 52.43 1jdp n ALA 76 Cb 0.96 -1.10 0.08 0.00 0.00 0.00 0.00 19.45 19.39 1jdp n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jdp s ALA 77 N -1.79 2.33 0.28 0.00 0.00 -1.15 -4.88 121.76 116.56 1jdp s ALA 77 Ca 0.29 0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.40 1jdp s ALA 77 Cb 0.15 -3.24 0.39 0.00 0.00 0.00 0.00 23.12 20.43 1jdp s ALA 77 CO 0.22 -1.65 1.91 0.00 0.00 0.00 0.00 175.76 176.24 1jdp h ALA 78 N -1.04 1.31 -0.37 0.00 0.00 -1.90 -0.70 119.26 116.57 1jdp h ALA 78 Ca -0.44 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1jdp h ALA 78 Cb 1.23 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1jdp h ALA 78 CO 0.53 0.56 0.00 -2.13 0.00 0.00 0.00 179.25 178.21 1jdp n ARG 79 N -4.36 2.36 -1.90 0.00 3.00 -1.26 -4.98 116.66 109.53 1jdp n ARG 79 Ca 0.08 -1.53 -0.30 0.00 -0.00 0.00 0.00 57.85 56.10 1jdp n ARG 79 Cb 0.10 -1.53 0.06 0.00 0.00 0.00 0.00 32.46 31.09 1jdp n ARG 79 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1jdp s GLY 80 N -0.78 1.61 -0.05 5.14 0.00 -0.27 -5.06 107.32 107.92 1jdp s GLY 80 Ca 0.28 -0.47 -0.29 0.00 0.00 0.00 0.00 44.72 44.23 1jdp s GLY 80 CO 0.15 -0.06 0.87 0.00 0.00 0.00 0.00 173.10 174.06 1jdp s ALA 81 N -3.44 -1.83 -0.01 3.20 0.00 -1.16 -4.91 121.76 113.60 1jdp s ALA 81 Ca 0.60 1.20 -0.29 0.00 0.00 0.00 0.00 51.96 53.46 1jdp s ALA 81 Cb -0.11 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1jdp s ALA 81 CO 0.51 -0.53 0.96 0.15 0.00 0.00 0.00 175.76 176.85 1jdp s LYS 82 N -2.25 4.54 0.93 0.00 -0.14 -1.26 -4.32 119.74 117.24 1jdp s LYS 82 Ca 0.00 1.37 -0.11 0.00 -1.36 0.00 0.00 55.97 55.87 1jdp s LYS 82 Cb -0.01 -3.46 0.15 0.00 -1.68 0.00 0.00 37.83 32.83 1jdp s LYS 82 CO -0.03 -0.05 1.11 -1.25 -0.76 0.00 0.00 175.35 174.36 1jdp s PRO 83 N 1.03 0.92 0.12 -1.68 0.04 -1.26 -4.93 135.00 129.25 1jdp s PRO 83 Ca 0.51 1.23 0.20 0.00 0.04 0.00 0.00 61.00 62.97 1jdp s PRO 83 Cb -0.21 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 1jdp s PRO 83 CO 0.27 -2.59 0.91 -0.25 0.04 0.00 0.00 177.00 175.38 1jdp n ASP 84 N -4.17 0.81 -3.76 6.66 8.00 0.49 -4.90 116.55 119.68 1jdp n ASP 84 Ca 0.09 0.34 -0.12 0.00 0.71 0.00 0.00 54.79 55.80 1jdp n ASP 84 Cb 0.53 0.38 -0.12 0.00 -0.02 0.00 0.00 41.12 41.89 1jdp n ASP 84 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1jdp s LEU 85 N -5.52 0.72 -0.10 0.64 0.20 -0.99 -4.30 118.68 109.33 1jdp s LEU 85 Ca -0.02 0.57 0.03 0.00 0.69 0.00 0.00 54.13 55.40 1jdp s LEU 85 Cb 0.09 0.92 -0.01 0.00 -0.43 0.00 0.00 46.19 46.77 1jdp s LEU 85 CO 0.80 -0.12 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.91 1jdp s ILE 86 N 0.55 2.42 -0.16 6.68 1.01 -1.02 -0.50 121.20 130.18 1jdp s ILE 86 Ca -0.03 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.73 1jdp s ILE 86 Cb -0.05 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.49 1jdp s ILE 86 CO -0.03 0.55 -0.20 -0.76 0.00 0.00 0.00 174.94 174.50 1jdp s LEU 87 N 0.22 2.09 0.00 2.97 1.02 0.57 -1.59 118.68 123.96 1jdp s LEU 87 Ca -0.13 -0.62 0.00 0.00 0.02 0.00 0.00 54.13 53.40 1jdp s LEU 87 Cb -0.16 -1.44 0.00 0.00 0.02 0.00 0.00 46.19 44.61 1jdp s LEU 87 CO 0.07 0.02 0.00 0.61 0.02 0.00 0.00 176.35 177.07 1jdp n GLY 88 N 4.43 -2.81 3.56 -3.19 0.00 -0.79 -0.20 105.19 106.19 1jdp n GLY 88 Ca -0.20 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 1jdp n GLY 88 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jdp s PRO 89 N -0.94 -0.77 -0.20 1.61 0.02 -1.21 -4.66 135.00 128.85 1jdp s PRO 89 Ca 0.00 0.43 -0.04 0.00 0.02 0.00 0.00 61.00 61.41 1jdp s PRO 89 Cb 0.00 -1.61 -0.11 0.00 0.02 0.00 0.00 34.50 32.80 1jdp s PRO 89 CO 0.00 -3.52 -0.22 0.28 -0.33 0.00 0.00 177.00 173.22 1jdp n VAL 90 N -4.71 1.14 -1.70 3.83 0.31 -1.26 -4.41 118.33 111.53 1jdp n VAL 90 Ca 0.07 -0.37 -0.44 0.00 -0.01 0.00 0.00 64.34 63.59 1jdp n VAL 90 Cb 0.57 -1.46 -0.04 0.00 -0.91 0.00 0.00 33.84 32.01 1jdp n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jdp h GLU 92 N 6.59 0.13 0.00 0.00 4.39 -1.93 0.96 114.58 124.71 1jdp h GLU 92 Ca -0.44 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.23 1jdp h GLU 92 Cb 1.23 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1jdp h GLU 92 CO 0.93 0.08 -0.09 1.88 -1.16 0.00 0.00 179.01 180.65 1jdp h TYR 93 N 0.13 0.00 0.09 4.33 0.05 -1.91 -2.36 116.97 117.30 1jdp h TYR 93 Ca 0.23 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.76 1jdp h TYR 93 Cb 0.34 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.08 1jdp h TYR 93 CO -0.29 0.09 -1.16 0.00 -1.05 0.00 0.00 178.16 175.76 1jdp h ALA 94 N 1.91 0.18 0.06 3.88 0.00 -1.53 -3.35 119.26 120.40 1jdp h ALA 94 Ca -0.00 -0.86 -0.25 0.00 0.00 0.00 0.00 54.91 53.80 1jdp h ALA 94 Cb 0.80 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1jdp h ALA 94 CO 0.01 0.98 -1.08 0.00 0.00 0.00 0.00 179.25 179.17 1jdp h ALA 95 N 0.67 0.23 -0.28 0.00 0.00 -0.70 -3.34 119.26 115.85 1jdp h ALA 95 Ca -0.11 -0.77 0.06 0.00 0.00 0.00 0.00 54.91 54.09 1jdp h ALA 95 Cb 1.88 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.61 1jdp h ALA 95 CO 0.19 0.84 -0.13 0.00 0.00 0.00 0.00 179.25 180.15 1jdp h ALA 96 N 0.62 0.10 -0.48 0.00 0.00 -1.57 0.00 119.26 117.95 1jdp h ALA 96 Ca -0.11 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1jdp h ALA 96 Cb 1.75 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 1jdp h ALA 96 CO 0.19 -0.53 0.18 -1.35 0.00 0.00 0.00 179.25 177.75 1jdp h PRO 97 N -0.08 0.72 -0.54 0.00 0.11 -1.77 -1.92 132.00 128.51 1jdp h PRO 97 Ca 0.15 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1jdp h PRO 97 Cb 0.31 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.28 1jdp h PRO 97 CO -0.34 0.65 0.31 0.28 -0.21 0.00 0.00 178.00 178.69 1jdp h VAL 98 N 0.63 1.17 -0.62 3.15 2.07 -1.59 -1.82 116.25 119.23 1jdp h VAL 98 Ca 0.16 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1jdp h VAL 98 Cb 0.20 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1jdp h VAL 98 CO -0.01 0.18 0.40 0.00 0.02 0.00 0.00 177.57 178.16 1jdp h ALA 99 N 1.14 0.80 -0.36 1.67 0.00 -0.85 0.16 119.26 121.83 1jdp h ALA 99 Ca 0.19 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1jdp h ALA 99 Cb 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1jdp h ALA 99 CO -0.03 0.19 0.18 0.00 0.00 0.00 0.00 179.25 179.58 1jdp h ARG 100 N 0.81 0.36 -0.42 0.00 3.08 -1.01 -0.82 114.38 116.39 1jdp h ARG 100 Ca 0.24 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 1jdp h ARG 100 Cb -0.05 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1jdp h ARG 100 CO -0.07 0.24 0.10 -0.07 -1.07 0.00 0.00 179.97 179.10 1jdp h LEU 101 N 0.37 0.64 -1.19 3.04 3.38 -0.96 0.11 115.31 120.68 1jdp h LEU 101 Ca 0.15 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.94 1jdp h LEU 101 Cb 0.06 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1jdp h LEU 101 CO -0.10 0.70 0.56 0.00 0.09 0.00 0.00 178.44 179.69 1jdp h ALA 102 N 0.96 1.51 -0.19 1.53 0.00 -0.43 0.35 119.26 122.99 1jdp h ALA 102 Ca 0.13 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 1jdp h ALA 102 Cb 0.32 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1jdp h ALA 102 CO 0.00 0.39 -0.65 1.03 0.00 0.00 0.00 179.25 180.02 1jdp h SER 103 N 1.02 0.80 -0.54 0.00 0.87 -0.83 0.29 113.55 115.16 1jdp h SER 103 Ca 0.35 -0.48 -0.10 0.00 -1.23 0.00 0.00 61.79 60.33 1jdp h SER 103 Cb 0.11 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1jdp h SER 103 CO -0.12 1.25 -0.05 -0.74 -0.53 0.00 0.00 176.83 176.64 1jdp h HIS 104 N 0.51 1.11 -0.38 2.24 6.17 0.19 -2.92 115.15 122.07 1jdp h HIS 104 Ca -0.02 -0.20 0.00 0.00 0.71 0.00 0.00 60.37 60.86 1jdp h HIS 104 Cb 1.24 -0.29 0.00 0.00 2.52 0.00 0.00 27.41 30.89 1jdp h HIS 104 CO 0.07 1.01 0.00 0.91 0.71 0.00 0.00 177.93 180.62 1jdp n TRP 105 N -4.16 0.54 -3.51 5.26 8.01 0.11 -4.93 117.44 118.76 1jdp n TRP 105 Ca 0.02 -0.26 -0.26 0.00 -1.31 0.00 0.00 57.50 55.69 1jdp n TRP 105 Cb 0.37 -0.02 0.03 0.00 -2.01 0.00 0.00 31.31 29.68 1jdp n TRP 105 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1jdp n ASP 106 N 0.59 -5.14 -4.66 -0.99 4.64 -0.46 -4.94 116.55 105.59 1jdp n ASP 106 Ca 0.13 -0.52 -0.35 0.00 -1.38 0.00 0.00 54.79 52.66 1jdp n ASP 106 Cb 0.34 -4.13 -0.10 0.00 -1.04 0.00 0.00 41.12 36.20 1jdp n ASP 106 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1jdp s LEU 107 N -6.95 3.64 0.17 -2.67 1.43 0.91 -1.77 118.68 113.44 1jdp s LEU 107 Ca 0.50 0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 53.42 1jdp s LEU 107 Cb -0.24 -1.86 -0.07 0.00 0.03 0.00 0.00 46.19 44.04 1jdp s LEU 107 CO 0.62 0.32 1.07 -2.16 0.23 0.00 0.00 176.35 176.42 1jdp s PRO 108 N -0.50 4.62 -0.11 1.29 0.04 -1.26 -4.39 135.00 134.69 1jdp s PRO 108 Ca 0.09 1.67 0.01 0.00 0.04 0.00 0.00 61.00 62.81 1jdp s PRO 108 Cb -0.12 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.15 1jdp s PRO 108 CO 0.02 0.12 -0.13 1.41 0.04 0.00 0.00 177.00 178.45 1jdp s MET 109 N -0.35 2.06 -0.04 4.56 1.75 -0.15 -2.42 119.30 124.71 1jdp s MET 109 Ca 0.49 -0.49 0.06 0.00 -1.25 0.00 0.00 55.69 54.49 1jdp s MET 109 Cb -0.28 -1.82 -0.01 0.00 2.84 0.00 0.00 34.83 35.55 1jdp s MET 109 CO 0.34 -0.11 -0.23 -0.51 -0.65 0.00 0.00 175.02 173.86 1jdp s LEU 110 N 1.15 2.03 0.04 4.11 1.02 -0.62 -1.94 118.68 124.47 1jdp s LEU 110 Ca -0.04 -0.45 -0.07 0.00 0.02 0.00 0.00 54.13 53.59 1jdp s LEU 110 Cb -0.14 -1.24 -0.00 0.00 0.02 0.00 0.00 46.19 44.82 1jdp s LEU 110 CO -0.04 0.24 0.15 -0.55 0.02 0.00 0.00 176.35 176.17 1jdp s SER 111 N -0.27 0.12 0.00 2.29 0.15 -1.13 -1.88 113.70 112.98 1jdp s SER 111 Ca 0.01 -0.49 0.22 0.00 0.70 0.00 0.00 55.95 56.40 1jdp s SER 111 Cb -0.12 0.27 0.52 0.00 -1.71 0.00 0.00 66.02 64.98 1jdp s SER 111 CO 0.02 -0.56 1.45 0.00 1.20 0.00 0.00 173.24 175.35 1jdp n ALA 112 N 0.63 2.39 -3.00 5.45 0.00 -1.26 -1.22 120.51 123.50 1jdp n ALA 112 Ca -0.18 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.11 1jdp n ALA 112 Cb 0.59 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1jdp n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jdp n GLY 113 N 1.52 5.23 3.97 0.00 0.00 -1.26 -4.52 105.19 110.13 1jdp n GLY 113 Ca 0.21 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 1jdp n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdp n ALA 114 N -3.00 -1.36 0.68 4.61 0.00 -0.25 -4.86 120.51 116.33 1jdp n ALA 114 Ca 0.00 0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.63 1jdp n ALA 114 Cb 0.00 -3.98 0.40 0.00 0.00 0.00 0.00 19.45 15.86 1jdp n ALA 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jdp n LEU 115 N -4.59 0.00 -4.75 0.00 4.32 -1.26 -4.79 117.00 105.93 1jdp n LEU 115 Ca 0.01 0.42 -0.34 0.00 -0.02 0.00 0.00 56.01 56.09 1jdp n LEU 115 Cb 0.54 -0.42 0.07 0.00 -1.62 0.00 0.00 43.42 41.98 1jdp n LEU 115 CO 0.77 -0.17 0.77 0.00 -1.22 0.00 0.00 177.39 177.54 1jdp s ALA 116 N -2.85 2.32 0.39 -1.18 0.00 -1.26 -1.67 121.76 117.51 1jdp s ALA 116 Ca 0.11 0.73 0.05 0.00 0.00 0.00 0.00 51.96 52.86 1jdp s ALA 116 Cb 0.12 -3.39 0.77 0.00 0.00 0.00 0.00 23.12 20.61 1jdp s ALA 116 CO 0.30 -1.52 2.04 0.00 0.00 0.00 0.00 175.76 176.58 1jdp h ALA 117 N -0.03 1.64 -0.05 0.00 0.00 -1.90 -2.94 119.26 115.98 1jdp h ALA 117 Ca -0.47 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.41 1jdp h ALA 117 Cb 1.27 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1jdp h ALA 117 CO 0.52 0.33 0.05 0.78 0.00 0.00 0.00 179.25 180.93 1jdp h GLY 118 N 0.67 0.00 1.28 0.00 0.00 -1.96 -1.39 103.07 101.68 1jdp h GLY 118 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1jdp h GLY 118 CO -0.04 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.19 1jdp n PHE 119 N -4.03 0.00 -0.06 5.60 3.01 -1.11 -3.43 117.46 117.44 1jdp n PHE 119 Ca -0.02 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.33 1jdp n PHE 119 Cb 0.14 -0.14 -0.05 0.00 -0.01 0.00 0.00 39.48 39.42 1jdp n PHE 119 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1jdp h GLN 120 N 0.00 0.34 -6.18 -1.08 4.15 -1.44 -3.40 115.11 107.51 1jdp h GLN 120 Ca 0.00 -0.11 -0.52 0.00 0.77 0.00 0.00 58.65 58.78 1jdp h GLN 120 Cb 0.12 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.73 1jdp h GLN 120 CO 0.00 0.56 1.22 -1.01 -1.93 0.00 0.00 178.83 177.67 1jdp s HIS 121 N -4.95 1.95 -0.24 3.99 3.76 -1.22 -4.82 115.29 113.77 1jdp s HIS 121 Ca -0.14 0.51 0.14 0.00 -0.15 0.00 0.00 55.06 55.41 1jdp s HIS 121 Cb 0.06 -4.29 0.60 0.00 1.11 0.00 0.00 32.58 30.06 1jdp s HIS 121 CO 0.73 -2.22 1.54 1.63 -0.85 0.00 0.00 174.74 175.58 1jdp n LYS 122 N 9.08 3.06 0.09 1.40 5.02 -1.26 -4.21 118.16 131.33 1jdp n LYS 122 Ca 0.15 -2.99 -0.03 0.00 -2.02 0.00 0.00 58.31 53.42 1jdp n LYS 122 Cb 0.50 -1.96 0.21 0.00 -0.02 0.00 0.00 35.03 33.76 1jdp n LYS 122 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1jdp h ASP 123 N 2.01 0.26 0.00 4.39 3.32 -1.90 -3.31 116.42 121.20 1jdp h ASP 123 Ca 0.10 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1jdp h ASP 123 Cb 1.73 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.21 1jdp h ASP 123 CO 0.39 0.67 0.00 -0.24 -1.72 0.00 0.00 179.24 178.35 1jdp n SER 124 N -4.01 0.00 -0.21 6.45 2.88 -1.26 -4.86 113.62 112.62 1jdp n SER 124 Ca -0.02 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.60 1jdp n SER 124 Cb 0.50 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 64.31 1jdp n SER 124 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1jdp h GLU 125 N 0.00 0.73 -0.73 -1.46 4.11 -1.87 -2.49 114.58 112.88 1jdp h GLU 125 Ca 0.00 -0.04 -0.40 0.00 0.07 0.00 0.00 59.36 58.99 1jdp h GLU 125 Cb 0.00 -0.17 -0.23 0.00 0.50 0.00 0.00 28.75 28.85 1jdp h GLU 125 CO 0.00 0.48 0.32 0.66 0.07 0.00 0.00 179.01 180.54 1jdp n TYR 126 N -4.49 2.27 0.31 2.06 0.53 -1.26 -3.98 117.16 112.59 1jdp n TYR 126 Ca 0.12 -1.87 0.20 0.00 -1.02 0.00 0.00 57.90 55.33 1jdp n TYR 126 Cb 0.28 -0.79 0.97 0.00 -1.03 0.00 0.00 39.34 38.77 1jdp n TYR 126 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 1jdp h SER 127 N 1.12 0.00 -0.55 7.72 4.64 -1.53 -3.09 113.55 121.86 1jdp h SER 127 Ca 0.46 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.55 1jdp h SER 127 Cb 2.17 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 64.12 1jdp h SER 127 CO 0.84 0.01 0.16 1.41 -0.87 0.00 0.00 176.83 178.39 1jdp n HIS 128 N -3.16 1.74 -4.22 4.77 8.25 -1.26 -4.95 115.22 116.39 1jdp n HIS 128 Ca -0.02 -1.47 -0.34 0.00 -0.26 0.00 0.00 57.72 55.64 1jdp n HIS 128 Cb 0.18 -0.60 -0.15 0.00 1.12 0.00 0.00 29.99 30.54 1jdp n HIS 128 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1jdp s LEU 129 N -3.15 2.51 -0.11 2.41 2.96 -1.17 -0.97 118.68 121.17 1jdp s LEU 129 Ca 0.49 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1jdp s LEU 129 Cb 0.42 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.50 1jdp s LEU 129 CO 0.06 0.03 -0.14 0.42 -1.32 0.00 0.00 176.35 175.40 1jdp s THR 130 N 1.15 2.96 -0.29 3.68 -4.23 -0.82 -4.88 115.64 113.21 1jdp s THR 130 Ca 0.01 -0.71 -0.13 0.00 -1.18 0.00 0.00 61.69 59.68 1jdp s THR 130 Cb -0.14 -2.21 -0.04 0.00 1.34 0.00 0.00 72.50 71.44 1jdp s THR 130 CO -0.05 0.54 0.27 -0.13 -0.54 0.00 0.00 174.62 174.72 1jdp s ARG 131 N 0.08 3.87 0.00 3.99 0.52 0.48 -2.84 118.95 125.05 1jdp s ARG 131 Ca -0.06 -0.27 0.26 0.00 -0.52 0.00 0.00 55.73 55.14 1jdp s ARG 131 Cb -0.15 -3.69 0.70 0.00 0.52 0.00 0.00 34.95 32.33 1jdp s ARG 131 CO 0.05 -0.28 1.54 1.33 0.02 0.00 0.00 175.30 177.95 1jdp n VAL 132 N 5.11 0.00 -4.31 3.52 0.24 -0.35 -0.84 118.33 121.69 1jdp n VAL 132 Ca -0.12 -0.03 -0.26 0.00 -2.04 0.00 0.00 64.34 61.89 1jdp n VAL 132 Cb 0.51 0.17 -0.09 0.00 -1.47 0.00 0.00 33.84 32.96 1jdp n VAL 132 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jdp s ALA 133 N -2.85 2.95 0.06 2.33 0.00 -1.26 -4.73 121.76 118.26 1jdp s ALA 133 Ca 0.16 -1.53 -0.30 0.00 0.00 0.00 0.00 51.96 50.28 1jdp s ALA 133 Cb 0.18 -0.70 -0.09 0.00 0.00 0.00 0.00 23.12 22.52 1jdp s ALA 133 CO 0.63 0.42 1.81 -2.14 0.00 0.00 0.00 175.76 176.47 1jdp s PRO 134 N -3.00 4.16 0.75 0.00 0.02 -1.26 -4.43 135.00 131.24 1jdp s PRO 134 Ca 0.26 2.49 -0.11 0.00 0.02 0.00 0.00 61.00 63.66 1jdp s PRO 134 Cb -0.08 -3.81 0.04 0.00 0.02 0.00 0.00 34.50 30.67 1jdp s PRO 134 CO 0.16 -0.85 1.08 0.00 -0.33 0.00 0.00 177.00 177.05 1jdp s ALA 135 N 3.38 2.40 0.54 -1.55 0.00 -1.26 -4.92 121.76 120.34 1jdp s ALA 135 Ca 0.81 -0.00 0.22 0.00 0.00 0.00 0.00 51.96 52.99 1jdp s ALA 135 Cb -0.42 -3.17 1.41 0.00 0.00 0.00 0.00 23.12 20.95 1jdp s ALA 135 CO 0.36 -1.54 2.09 1.88 0.00 0.00 0.00 175.76 178.55 1jdp h TYR 136 N -0.96 0.00 -0.16 0.00 0.99 -1.65 -0.49 116.97 114.69 1jdp h TYR 136 Ca -0.45 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.21 1jdp h TYR 136 Cb 1.24 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.96 1jdp h TYR 136 CO 0.55 0.00 -0.21 0.00 -0.00 0.00 0.00 178.16 178.49 1jdp h ALA 137 N 1.87 1.34 -0.76 3.88 0.00 -1.79 0.66 119.26 124.45 1jdp h ALA 137 Ca 0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1jdp h ALA 137 Cb 0.43 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1jdp h ALA 137 CO -0.00 0.45 0.30 0.87 0.00 0.00 0.00 179.25 180.87 1jdp h LYS 138 N 0.26 1.13 -0.42 0.00 1.79 -1.42 0.18 116.57 118.09 1jdp h LYS 138 Ca 0.05 -0.20 -0.12 0.00 -2.18 0.00 0.00 60.65 58.19 1jdp h LYS 138 Cb 0.53 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1jdp h LYS 138 CO 0.04 0.92 -0.23 1.98 -1.08 0.00 0.00 179.45 181.07 1jdp h MET 139 N 1.10 0.87 -0.73 3.15 4.05 -1.32 -2.32 114.93 119.73 1jdp h MET 139 Ca 0.25 -0.36 -0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1jdp h MET 139 Cb 0.21 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.94 1jdp h MET 139 CO -0.02 1.01 0.45 0.78 0.23 0.00 0.00 176.91 179.35 1jdp h GLY 140 N 0.93 1.05 1.48 1.39 0.00 0.04 -0.55 103.07 107.40 1jdp h GLY 140 Ca 0.10 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 1jdp h GLY 140 CO 0.06 0.41 -0.16 0.83 0.00 0.00 0.00 176.54 177.68 1jdp h GLU 141 N 1.00 0.62 -0.22 4.80 5.08 -0.18 -1.77 114.58 123.91 1jdp h GLU 141 Ca 0.26 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1jdp h GLU 141 Cb -0.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1jdp h GLU 141 CO -0.05 0.75 -0.00 1.98 -1.00 0.00 0.00 179.01 180.68 1jdp h MET 142 N 0.56 0.39 -0.46 2.33 4.05 -0.87 -2.20 114.93 118.73 1jdp h MET 142 Ca 0.09 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1jdp h MET 142 Cb 0.59 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 1jdp h MET 142 CO 0.04 0.58 0.30 0.52 0.23 0.00 0.00 176.91 178.57 1jdp h MET 143 N 0.15 0.60 -0.66 0.39 2.86 -0.85 0.53 114.93 117.95 1jdp h MET 143 Ca 0.06 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 1jdp h MET 143 Cb 0.40 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1jdp h MET 143 CO 0.01 0.41 0.11 1.25 1.06 0.00 0.00 176.91 179.74 1jdp h LEU 144 N 0.62 1.05 -0.53 1.22 7.12 -1.10 0.25 115.31 123.94 1jdp h LEU 144 Ca 0.17 -0.25 -0.15 0.00 0.13 0.00 0.00 57.88 57.77 1jdp h LEU 144 Cb -0.06 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 39.78 1jdp h LEU 144 CO -0.04 1.04 -0.45 0.00 -0.13 0.00 0.00 178.44 178.87 1jdp h ALA 145 N 1.08 0.71 -0.41 1.25 0.00 -0.66 -1.21 119.26 120.00 1jdp h ALA 145 Ca 0.20 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1jdp h ALA 145 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1jdp h ALA 145 CO 0.01 0.67 0.00 1.25 0.00 0.00 0.00 179.25 181.18 1jdp h LEU 146 N 0.55 0.71 -0.81 0.00 5.85 -0.58 -1.79 115.31 119.25 1jdp h LEU 146 Ca 0.04 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 1jdp h LEU 146 Cb 0.99 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 1jdp h LEU 146 CO 0.09 0.85 0.37 -0.26 -0.34 0.00 0.00 178.44 179.15 1jdp h PHE 147 N 0.56 1.18 -0.55 1.25 -1.00 -0.84 -2.19 116.94 115.35 1jdp h PHE 147 Ca 0.12 -0.07 -0.05 0.00 2.81 0.00 0.00 57.97 60.79 1jdp h PHE 147 Cb 0.48 -0.36 -0.03 0.00 3.61 0.00 0.00 35.95 39.65 1jdp h PHE 147 CO 0.04 0.86 0.16 0.00 -1.61 0.00 0.00 178.31 177.76 1jdp h ARG 148 N 1.15 0.83 -0.63 1.51 2.47 -1.04 0.61 114.38 119.28 1jdp h ARG 148 Ca 0.28 -0.16 -0.02 0.00 -1.26 0.00 0.00 59.98 58.82 1jdp h ARG 148 Cb 0.14 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 1jdp h ARG 148 CO -0.03 0.73 0.30 1.25 0.56 0.00 0.00 179.97 182.77 1jdp h HIS 149 N 0.80 0.89 -0.00 3.04 2.76 -0.71 -2.62 115.15 119.31 1jdp h HIS 149 Ca 0.18 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1jdp h HIS 149 Cb 0.26 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.94 1jdp h HIS 149 CO 0.02 0.65 -0.50 0.72 -1.30 0.00 0.00 177.93 177.52 1jdp n HIS 150 N -4.35 0.00 -2.12 5.26 8.25 -0.95 -4.94 115.22 116.37 1jdp n HIS 150 Ca 0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.42 1jdp n HIS 150 Cb 0.13 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.11 1jdp n HIS 150 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1jdp n HIS 151 N -0.98 -0.42 -3.17 4.41 -0.00 0.01 -5.01 115.22 110.05 1jdp n HIS 151 Ca 0.08 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.42 1jdp n HIS 151 Cb 0.36 -2.33 -0.06 0.00 -0.00 0.00 0.00 29.99 27.96 1jdp n HIS 151 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1jdp s TRP 152 N -2.47 3.82 0.00 4.41 0.51 -0.08 -4.97 118.94 120.15 1jdp s TRP 152 Ca 0.00 1.39 0.00 0.00 -2.12 0.00 0.00 56.10 55.37 1jdp s TRP 152 Cb 0.00 -2.59 0.00 0.00 -0.81 0.00 0.00 33.47 30.07 1jdp s TRP 152 CO 0.00 0.53 0.33 -1.13 -0.51 0.00 0.00 176.95 176.17 1jdp n SER 153 N 1.53 0.54 -3.97 2.95 3.41 -1.26 -4.48 113.62 112.32 1jdp n SER 153 Ca -0.08 -1.10 -0.10 0.00 -0.26 0.00 0.00 58.87 57.33 1jdp n SER 153 Cb 0.50 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 1jdp n SER 153 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jdp s ARG 154 N -0.10 0.30 0.05 4.33 0.52 -1.26 -2.36 118.95 120.42 1jdp s ARG 154 Ca 0.00 -0.55 -0.18 0.00 -0.52 0.00 0.00 55.73 54.48 1jdp s ARG 154 Cb 0.00 0.05 0.04 0.00 0.52 0.00 0.00 34.95 35.56 1jdp s ARG 154 CO 0.00 -0.03 0.42 0.00 0.02 0.00 0.00 175.30 175.71 1jdp s ALA 155 N -1.26 -1.04 -0.17 2.13 0.00 -0.45 -4.54 121.76 116.44 1jdp s ALA 155 Ca -0.13 0.31 -0.07 0.00 0.00 0.00 0.00 51.96 52.07 1jdp s ALA 155 Cb -0.09 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 1jdp s ALA 155 CO -0.01 -0.48 0.05 0.00 0.00 0.00 0.00 175.76 175.33 1jdp s ALA 156 N -2.57 3.38 -0.25 0.00 0.00 -0.28 -1.10 121.76 120.95 1jdp s ALA 156 Ca -0.05 -0.75 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 1jdp s ALA 156 Cb -0.01 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 1jdp s ALA 156 CO -0.03 0.21 0.09 -0.51 0.00 0.00 0.00 175.76 175.52 1jdp s LEU 157 N 0.28 3.59 -0.17 0.00 1.43 0.51 -0.34 118.68 123.98 1jdp s LEU 157 Ca 0.03 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1jdp s LEU 157 Cb -0.12 -1.96 0.05 0.00 0.03 0.00 0.00 46.19 44.18 1jdp s LEU 157 CO 0.00 -0.01 -0.02 -0.69 0.23 0.00 0.00 176.35 175.87 1jdp s VAL 158 N 1.47 0.87 0.10 -1.59 1.01 -0.30 -1.03 120.40 120.93 1jdp s VAL 158 Ca 0.06 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1jdp s VAL 158 Cb -0.15 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1jdp s VAL 158 CO 0.05 0.03 0.16 -0.72 0.00 0.00 0.00 175.10 174.61 1jdp s TYR 159 N 1.72 0.35 -0.01 5.22 -0.85 -0.78 -2.14 117.35 120.87 1jdp s TYR 159 Ca 0.00 -0.78 -0.22 0.00 -0.52 0.00 0.00 57.07 55.55 1jdp s TYR 159 Cb -0.16 -0.16 -0.05 0.00 0.38 0.00 0.00 41.96 41.97 1jdp s TYR 159 CO -0.07 -0.55 0.64 0.45 -1.52 0.00 0.00 175.55 174.50 1jdp s SER 160 N -2.92 7.01 -0.31 -0.18 0.15 -0.57 -2.36 113.70 114.52 1jdp s SER 160 Ca 0.10 1.20 0.01 0.00 0.70 0.00 0.00 55.95 57.97 1jdp s SER 160 Cb 0.05 -2.39 0.09 0.00 -1.71 0.00 0.00 66.02 62.07 1jdp s SER 160 CO -0.07 0.04 0.06 -0.62 1.20 0.00 0.00 173.24 173.84 1jdp s ASP 161 N 0.07 4.24 0.00 5.45 3.68 0.90 -3.75 116.67 127.26 1jdp s ASP 161 Ca 0.33 -1.73 0.30 0.00 2.13 0.00 0.00 52.55 53.59 1jdp s ASP 161 Cb -0.18 -1.17 1.53 0.00 -1.45 0.00 0.00 42.92 41.64 1jdp s ASP 161 CO 0.18 -0.37 2.03 -0.90 0.13 0.00 0.00 175.17 176.24 1jdp n ASP 162 N 4.62 0.26 -0.12 -0.34 5.68 -1.26 -4.30 116.55 121.09 1jdp n ASP 162 Ca -0.02 -0.67 -0.02 0.00 -0.50 0.00 0.00 54.79 53.59 1jdp n ASP 162 Cb 0.42 -0.10 -0.01 0.00 -1.14 0.00 0.00 41.12 40.30 1jdp n ASP 162 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1jdp n LYS 163 N -0.97 -1.72 0.00 0.11 4.76 -1.26 -4.80 118.16 114.27 1jdp n LYS 163 Ca 0.18 0.50 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 1jdp n LYS 163 Cb 0.22 -4.82 0.00 0.00 -1.84 0.00 0.00 35.03 28.59 1jdp n LYS 163 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1jdp n LEU 164 N -0.18 0.00 0.14 -0.35 4.77 -1.26 -4.87 117.00 115.25 1jdp n LEU 164 Ca -0.02 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1jdp n LEU 164 Cb 0.45 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1jdp n LEU 164 CO 0.02 0.00 0.41 -0.33 -1.33 0.00 0.00 177.39 176.16 1jdp h GLU 165 N 0.00 0.00 -6.00 3.23 5.08 -1.96 -3.48 114.58 111.45 1jdp h GLU 165 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.93 1jdp h GLU 165 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 1jdp h GLU 165 CO 0.00 0.31 -0.64 0.54 -1.00 0.00 0.00 179.01 178.23 1jdp n ARG 166 N -3.10 -3.05 -0.23 2.33 1.74 -1.26 -4.83 116.66 108.26 1jdp n ARG 166 Ca 0.01 0.37 0.03 0.00 -0.77 0.00 0.00 57.85 57.49 1jdp n ARG 166 Cb 0.69 -5.07 0.15 0.00 -1.02 0.00 0.00 32.46 27.21 1jdp n ARG 166 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1jdp h ASN 167 N -1.06 0.23 0.82 0.55 2.35 -1.93 -1.48 115.58 115.06 1jdp h ASN 167 Ca -0.46 0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.28 1jdp h ASN 167 Cb 1.31 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.74 1jdp h ASN 167 CO 0.61 0.11 -0.49 0.00 -1.65 0.00 0.00 177.43 176.01 1jdp h TYR 169 N 0.00 0.23 -0.18 0.00 5.03 -1.39 -1.74 116.97 118.92 1jdp h TYR 169 Ca -0.00 -0.05 -0.07 0.00 2.58 0.00 0.00 58.73 61.18 1jdp h TYR 169 Cb 1.03 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 39.25 1jdp h TYR 169 CO 0.00 0.53 -0.20 0.74 -1.32 0.00 0.00 178.16 177.91 1jdp h PHE 170 N -0.15 0.33 0.23 -3.82 0.04 -1.23 -0.96 116.94 111.38 1jdp h PHE 170 Ca 0.02 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1jdp h PHE 170 Cb 0.47 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1jdp h PHE 170 CO 0.06 0.50 -0.11 1.15 -0.60 0.00 0.00 178.31 179.31 1jdp h THR 171 N 0.28 0.84 0.00 -1.55 2.02 -0.97 -2.80 112.91 110.73 1jdp h THR 171 Ca 0.05 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1jdp h THR 171 Cb 0.52 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1jdp h THR 171 CO 0.03 0.10 0.00 -0.07 0.37 0.00 0.00 175.52 175.96 1jdp h LEU 172 N -0.54 0.00 -1.14 2.58 3.38 -1.18 -2.16 115.31 116.25 1jdp h LEU 172 Ca -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1jdp h LEU 172 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1jdp h LEU 172 CO 0.05 0.00 -0.26 -0.08 0.09 0.00 0.00 178.44 178.24 1jdp h GLU 173 N 0.00 0.27 -0.60 1.13 4.81 -0.92 0.13 114.58 119.40 1jdp h GLU 173 Ca 0.00 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1jdp h GLU 173 Cb 0.52 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1jdp h GLU 173 CO 0.00 0.52 0.27 0.78 -0.73 0.00 0.00 179.01 179.85 1jdp h GLY 174 N 0.99 0.91 0.70 1.92 0.00 -1.17 -0.64 103.07 105.78 1jdp h GLY 174 Ca 0.04 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 1jdp h GLY 174 CO 0.04 0.42 -0.41 -2.08 0.00 0.00 0.00 176.54 174.51 1jdp h VAL 175 N 0.84 1.44 -0.32 4.60 2.07 -1.47 -3.14 116.25 120.28 1jdp h VAL 175 Ca 0.21 -1.88 0.04 0.00 0.82 0.00 0.00 66.70 65.89 1jdp h VAL 175 Cb 0.11 2.47 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 1jdp h VAL 175 CO -0.02 0.54 0.08 -0.74 0.02 0.00 0.00 177.57 177.44 1jdp h HIS 176 N -0.17 0.13 0.27 1.57 6.17 -0.45 -0.37 115.15 122.30 1jdp h HIS 176 Ca -0.04 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.06 1jdp h HIS 176 Cb 1.10 -0.01 -0.03 0.00 2.52 0.00 0.00 27.41 30.99 1jdp h HIS 176 CO 0.14 0.04 -0.34 0.93 0.71 0.00 0.00 177.93 179.41 1jdp h GLU 177 N 0.20 -0.64 -0.11 5.26 4.39 -1.22 0.11 114.58 122.57 1jdp h GLU 177 Ca 0.15 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.91 1jdp h GLU 177 Cb 0.15 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1jdp h GLU 177 CO -0.18 -0.43 -0.04 0.28 -1.16 0.00 0.00 179.01 177.48 1jdp h VAL 178 N -0.66 0.86 -0.45 3.13 2.07 -1.48 -1.87 116.25 117.85 1jdp h VAL 178 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1jdp h VAL 178 Cb 0.63 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1jdp h VAL 178 CO -0.10 0.00 0.28 -0.26 0.02 0.00 0.00 177.57 177.51 1jdp h PHE 179 N -0.02 0.54 -0.42 1.57 0.05 -0.91 -1.05 116.94 116.69 1jdp h PHE 179 Ca 0.06 0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.84 1jdp h PHE 179 Cb 0.10 -0.18 -0.02 0.00 2.00 0.00 0.00 35.95 37.86 1jdp h PHE 179 CO -0.16 0.33 0.17 1.96 -0.18 0.00 0.00 178.31 180.42 1jdp h GLN 180 N 0.58 0.63 -0.78 1.51 1.08 -0.89 0.20 115.11 117.43 1jdp h GLN 180 Ca 0.17 -0.11 0.11 0.00 -1.45 0.00 0.00 58.65 57.37 1jdp h GLN 180 Cb -0.04 -0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 27.21 1jdp h GLN 180 CO -0.05 0.58 0.40 1.49 -0.95 0.00 0.00 178.83 180.30 1jdp h GLU 181 N 0.54 0.62 0.00 1.46 4.81 -1.02 -1.16 114.58 119.83 1jdp h GLU 181 Ca 0.14 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1jdp h GLU 181 Cb 0.19 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1jdp h GLU 181 CO -0.01 0.41 -0.11 -1.91 -0.73 0.00 0.00 179.01 176.66 1jdp n GLU 182 N -4.85 0.13 -0.41 1.92 4.07 -0.43 -4.95 120.64 116.12 1jdp n GLU 182 Ca 0.14 0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 1jdp n GLU 182 Cb 0.33 -1.63 0.00 0.00 -0.06 0.00 0.00 31.44 30.08 1jdp n GLU 182 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1jdp n GLY 183 N 1.41 0.76 3.82 8.31 0.00 0.53 -5.07 105.19 114.96 1jdp n GLY 183 Ca 0.06 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1jdp n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jdp s LEU 184 N 0.00 4.41 0.11 0.99 1.43 -0.23 -5.00 118.68 120.38 1jdp s LEU 184 Ca 0.00 1.28 -0.23 0.00 -1.03 0.00 0.00 54.13 54.16 1jdp s LEU 184 Cb 0.00 -3.28 -0.07 0.00 0.03 0.00 0.00 46.19 42.87 1jdp s LEU 184 CO 0.00 0.13 0.69 -2.28 0.23 0.00 0.00 176.35 175.12 1jdp s HIS 185 N -1.37 3.84 -0.03 0.29 5.65 -1.00 -4.34 115.29 118.33 1jdp s HIS 185 Ca 0.37 1.46 0.03 0.00 0.25 0.00 0.00 55.06 57.17 1jdp s HIS 185 Cb -0.17 -2.67 0.00 0.00 -1.18 0.00 0.00 32.58 28.56 1jdp s HIS 185 CO 0.20 0.50 -0.11 0.95 -0.65 0.00 0.00 174.74 175.63 1jdp s THR 186 N -0.92 0.95 -0.00 0.89 -4.23 -1.26 -1.34 115.64 109.73 1jdp s THR 186 Ca 0.33 -0.46 -0.11 0.00 -1.18 0.00 0.00 61.69 60.28 1jdp s THR 186 Cb -0.21 -0.84 -0.05 0.00 1.34 0.00 0.00 72.50 72.74 1jdp s THR 186 CO 0.23 0.29 0.33 -0.44 -0.54 0.00 0.00 174.62 174.48 1jdp s SER 187 N 0.14 6.63 -0.12 3.99 0.01 -0.26 -4.96 113.70 119.13 1jdp s SER 187 Ca -0.03 0.75 0.00 0.00 1.31 0.00 0.00 55.95 57.99 1jdp s SER 187 Cb -0.09 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 1jdp s SER 187 CO 0.01 0.30 -0.13 -0.63 0.41 0.00 0.00 173.24 173.19 1jdp s ILE 188 N -1.18 3.03 -0.15 1.44 -1.09 -1.26 -0.36 121.20 121.63 1jdp s ILE 188 Ca 0.25 -0.68 -0.04 0.00 -2.23 0.00 0.00 60.65 57.95 1jdp s ILE 188 Cb -0.14 -2.26 0.06 0.00 -1.58 0.00 0.00 42.46 38.54 1jdp s ILE 188 CO 0.13 0.53 0.13 -0.47 -1.23 0.00 0.00 174.94 174.03 1jdp s TYR 189 N 0.22 0.02 0.22 3.97 5.04 -0.19 -4.97 117.35 121.65 1jdp s TYR 189 Ca -0.09 -0.01 0.11 0.00 -2.44 0.00 0.00 57.07 54.65 1jdp s TYR 189 Cb -0.15 -0.54 -0.05 0.00 0.35 0.00 0.00 41.96 41.58 1jdp s TYR 189 CO 0.05 -0.47 -0.22 -1.54 -1.34 0.00 0.00 175.55 172.04 1jdp s SER 190 N 2.21 3.53 0.20 4.32 1.04 -1.26 -1.86 113.70 121.89 1jdp s SER 190 Ca 0.04 -0.89 -0.17 0.00 0.48 0.00 0.00 55.95 55.41 1jdp s SER 190 Cb -0.15 -0.30 0.02 0.00 0.10 0.00 0.00 66.02 65.69 1jdp s SER 190 CO -0.09 0.10 0.52 0.72 0.98 0.00 0.00 173.24 175.47 1jdp s PHE 191 N -1.89 -0.06 -0.40 5.02 -0.71 -1.00 -4.97 117.98 113.97 1jdp s PHE 191 Ca 0.23 -0.29 -0.11 0.00 -1.04 0.00 0.00 56.93 55.73 1jdp s PHE 191 Cb -0.07 0.38 0.05 0.00 -1.21 0.00 0.00 43.02 42.17 1jdp s PHE 191 CO 0.12 -0.94 0.24 0.34 -1.34 0.00 0.00 175.22 173.64 1jdp s ASP 192 N -2.89 5.72 0.27 1.98 -1.08 -1.26 -0.07 116.67 119.34 1jdp s ASP 192 Ca 0.11 -1.23 0.22 0.00 -0.52 0.00 0.00 52.55 51.13 1jdp s ASP 192 Cb -0.01 -2.02 1.02 0.00 -1.46 0.00 0.00 42.92 40.45 1jdp s ASP 192 CO -0.01 -0.47 1.67 -1.84 0.52 0.00 0.00 175.17 175.04 1jdp n GLU 193 N 4.98 0.17 0.00 4.34 0.28 -1.26 -1.26 120.64 127.88 1jdp n GLU 193 Ca -0.11 0.50 0.12 0.00 -0.16 0.00 0.00 57.16 57.50 1jdp n GLU 193 Cb 0.44 -1.89 0.60 0.00 1.43 0.00 0.00 31.44 32.03 1jdp n GLU 193 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1jdp n THR 194 N -2.22 0.24 -4.16 3.84 -1.04 -1.26 -4.76 114.28 104.92 1jdp n THR 194 Ca 0.01 0.06 -0.24 0.00 -2.04 0.00 0.00 64.05 61.84 1jdp n THR 194 Cb 0.15 -0.67 -0.07 0.00 -1.82 0.00 0.00 70.33 67.92 1jdp n THR 194 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1jdp s LYS 195 N -2.55 2.24 0.22 -2.82 -0.14 -0.39 -5.07 119.74 111.23 1jdp s LYS 195 Ca 0.23 -1.72 -0.32 0.00 -1.36 0.00 0.00 55.97 52.80 1jdp s LYS 195 Cb 0.16 -2.04 -0.14 0.00 -1.68 0.00 0.00 37.83 34.14 1jdp s LYS 195 CO 0.36 0.02 1.42 -0.25 -0.76 0.00 0.00 175.35 176.14 1jdp n ASP 196 N -1.15 2.71 -4.80 2.83 10.43 -1.26 -4.92 116.55 120.39 1jdp n ASP 196 Ca -0.02 1.13 -0.38 0.00 2.57 0.00 0.00 54.79 58.08 1jdp n ASP 196 Cb 0.63 -1.41 -0.06 0.00 1.84 0.00 0.00 41.12 42.12 1jdp n ASP 196 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1jdp s LEU 197 N 0.27 4.51 -0.90 0.64 1.43 -1.26 -4.99 118.68 118.38 1jdp s LEU 197 Ca 0.71 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 1jdp s LEU 197 Cb -0.67 -3.21 0.30 0.00 0.03 0.00 0.00 46.19 42.64 1jdp s LEU 197 CO 0.48 0.20 1.27 -0.67 0.23 0.00 0.00 176.35 177.85 1jdp n ASP 198 N 1.44 5.61 -0.27 2.29 -0.08 -1.26 -4.87 116.55 119.41 1jdp n ASP 198 Ca -0.07 -3.49 0.24 0.00 -1.51 0.00 0.00 54.79 49.96 1jdp n ASP 198 Cb 0.50 -1.01 0.57 0.00 2.34 0.00 0.00 41.12 43.52 1jdp n ASP 198 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1jdp h LEU 199 N 4.64 0.32 -0.34 -2.67 3.38 -1.98 0.24 115.31 118.89 1jdp h LEU 199 Ca 0.24 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1jdp h LEU 199 Cb 0.57 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1jdp h LEU 199 CO 1.12 0.09 0.14 -0.08 0.09 0.00 0.00 178.44 179.80 1jdp h GLU 200 N 0.30 0.52 -0.46 1.13 4.57 -1.99 -0.74 114.58 117.91 1jdp h GLU 200 Ca 0.52 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 58.54 1jdp h GLU 200 Cb 1.50 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.99 1jdp h GLU 200 CO -0.18 0.51 0.01 0.22 -1.18 0.00 0.00 179.01 178.39 1jdp h ASP 201 N 0.41 0.78 0.44 1.04 -0.00 -1.40 0.17 116.42 117.85 1jdp h ASP 201 Ca 0.11 -0.30 -0.01 0.00 -0.00 0.00 0.00 57.03 56.84 1jdp h ASP 201 Cb 0.19 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 39.29 1jdp h ASP 201 CO -0.01 0.89 -0.36 0.40 -0.00 0.00 0.00 179.24 180.15 1jdp h ILE 202 N 0.65 0.26 -0.57 2.25 2.04 -1.16 0.17 117.51 121.15 1jdp h ILE 202 Ca 0.13 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 1jdp h ILE 202 Cb 0.48 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1jdp h ILE 202 CO 0.02 0.00 0.18 0.58 0.00 0.00 0.00 178.15 178.93 1jdp h VAL 203 N -0.80 1.22 -0.17 1.67 2.07 -1.10 -1.14 116.25 117.99 1jdp h VAL 203 Ca -0.04 -0.75 -0.14 0.00 0.82 0.00 0.00 66.70 66.59 1jdp h VAL 203 Cb 0.70 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1jdp h VAL 203 CO -0.02 0.29 -0.50 0.03 0.02 0.00 0.00 177.57 177.39 1jdp h ARG 204 N 0.82 0.46 -0.65 1.57 3.08 -0.75 0.27 114.38 119.17 1jdp h ARG 204 Ca 0.19 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 1jdp h ARG 204 Cb 0.24 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1jdp h ARG 204 CO -0.01 0.86 0.13 -0.91 -1.07 0.00 0.00 179.97 178.97 1jdp h ASN 205 N 0.36 1.02 -0.26 7.04 2.35 -0.14 -2.38 115.58 123.58 1jdp h ASN 205 Ca 0.02 -0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.47 1jdp h ASN 205 Cb 1.01 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 1jdp h ASN 205 CO 0.09 1.01 0.01 0.40 -1.65 0.00 0.00 177.43 177.29 1jdp h ILE 206 N 0.99 1.25 -0.92 2.81 2.04 -1.02 -2.41 117.51 120.25 1jdp h ILE 206 Ca 0.20 -0.89 0.22 0.00 1.00 0.00 0.00 64.86 65.39 1jdp h ILE 206 Cb 0.41 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 1jdp h ILE 206 CO 0.01 0.28 0.62 -0.61 0.00 0.00 0.00 178.15 178.45 1jdp h GLN 207 N 0.24 0.31 -0.02 2.37 4.15 -0.76 -1.23 115.11 120.17 1jdp h GLN 207 Ca 0.08 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1jdp h GLN 207 Cb 0.41 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1jdp h GLN 207 CO 0.01 0.21 -0.20 0.00 -1.93 0.00 0.00 178.83 176.92 1jdp n ALA 208 N -2.55 2.95 -0.30 3.38 0.00 -0.91 -4.79 120.51 118.29 1jdp n ALA 208 Ca 0.20 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1jdp n ALA 208 Cb 0.77 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1jdp n ALA 208 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1jdp n SER 209 N 0.42 0.00 -4.16 0.00 3.41 -0.47 -5.09 113.62 107.74 1jdp n SER 209 Ca 0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.64 1jdp n SER 209 Cb 0.48 -0.25 -0.10 0.00 -0.26 0.00 0.00 64.21 64.08 1jdp n SER 209 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1jdp s GLU 210 N -0.70 0.83 0.13 4.33 8.01 -1.22 -5.02 118.70 125.06 1jdp s GLU 210 Ca 0.00 -1.35 0.16 0.00 0.01 0.00 0.00 54.97 53.79 1jdp s GLU 210 Cb 0.00 -0.06 -0.08 0.00 -4.31 0.00 0.00 34.13 29.69 1jdp s GLU 210 CO 0.00 -0.09 1.04 0.00 0.01 0.00 0.00 175.26 176.22 1jdp h ARG 211 N 2.96 0.00 -5.03 1.61 2.47 -1.88 -3.44 114.38 111.06 1jdp h ARG 211 Ca -0.35 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 57.73 1jdp h ARG 211 Cb 1.17 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 29.30 1jdp h ARG 211 CO 0.64 0.39 -0.58 0.08 0.56 0.00 0.00 179.97 181.06 1jdp s VAL 212 N -2.93 4.74 -0.16 2.04 1.01 -1.26 -1.02 120.40 122.82 1jdp s VAL 212 Ca -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1jdp s VAL 212 Cb 0.08 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1jdp s VAL 212 CO 0.79 0.35 -0.18 -0.69 0.00 0.00 0.00 175.10 175.37 1jdp s VAL 213 N 1.28 2.38 -0.24 2.92 1.01 0.11 -1.12 120.40 126.74 1jdp s VAL 213 Ca 0.06 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 1jdp s VAL 213 Cb -0.15 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1jdp s VAL 213 CO 0.05 0.53 0.04 -0.63 0.00 0.00 0.00 175.10 175.08 1jdp s ILE 214 N 0.95 4.07 0.17 2.22 1.01 0.54 -0.51 121.20 129.64 1jdp s ILE 214 Ca -0.03 -0.26 0.09 0.00 0.00 0.00 0.00 60.65 60.45 1jdp s ILE 214 Cb -0.15 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1jdp s ILE 214 CO -0.03 0.37 -0.20 -0.04 0.00 0.00 0.00 174.94 175.04 1jdp s MET 215 N 1.51 1.31 -0.14 2.79 -1.94 0.57 -1.15 119.30 122.25 1jdp s MET 215 Ca 0.06 -1.41 -0.05 0.00 -1.71 0.00 0.00 55.69 52.57 1jdp s MET 215 Cb -0.15 -1.45 0.07 0.00 2.01 0.00 0.00 34.83 35.31 1jdp s MET 215 CO 0.02 0.30 0.30 0.00 -0.01 0.00 0.00 175.02 175.63 1jdp s ALA 217 N 2.28 -2.00 0.74 0.00 0.00 -1.26 -1.52 121.76 120.00 1jdp s ALA 217 Ca -0.01 0.37 -0.16 0.00 0.00 0.00 0.00 51.96 52.16 1jdp s ALA 217 Cb -0.12 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.53 1jdp s ALA 217 CO -0.10 -1.06 0.82 -1.13 0.00 0.00 0.00 175.76 174.29 1jdp n SER 218 N -0.59 -0.15 0.25 0.00 3.41 -1.26 -4.70 113.62 110.57 1jdp n SER 218 Ca -0.06 0.61 0.08 0.00 -0.26 0.00 0.00 58.87 59.24 1jdp n SER 218 Cb 0.62 -1.34 0.61 0.00 -0.26 0.00 0.00 64.21 63.83 1jdp n SER 218 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1jdp h SER 219 N -0.44 0.00 0.92 4.04 4.64 -1.98 -0.46 113.55 120.27 1jdp h SER 219 Ca -0.46 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.72 1jdp h SER 219 Cb 1.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 1jdp h SER 219 CO 0.45 0.08 -0.66 0.44 -0.87 0.00 0.00 176.83 176.26 1jdp h ASP 220 N 0.00 0.00 -0.40 4.97 3.32 -1.98 -1.13 116.42 121.19 1jdp h ASP 220 Ca -0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 1jdp h ASP 220 Cb 0.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1jdp h ASP 220 CO 0.01 0.66 -0.31 0.74 -1.72 0.00 0.00 179.24 178.62 1jdp h THR 221 N 0.00 1.27 -0.47 0.35 2.02 -1.45 -2.61 112.91 112.01 1jdp h THR 221 Ca -0.01 -1.47 -0.12 0.00 0.77 0.00 0.00 66.41 65.58 1jdp h THR 221 Cb 1.29 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1jdp h THR 221 CO 0.09 0.50 -0.18 0.40 0.37 0.00 0.00 175.52 176.70 1jdp h ILE 222 N 0.79 1.27 -0.93 3.11 2.04 -1.15 -2.08 117.51 120.56 1jdp h ILE 222 Ca 0.08 -1.33 0.02 0.00 1.00 0.00 0.00 64.86 64.63 1jdp h ILE 222 Cb 0.89 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 1jdp h ILE 222 CO 0.08 0.46 0.61 -0.09 0.00 0.00 0.00 178.15 179.21 1jdp h ARG 223 N 0.80 1.20 -0.33 2.37 2.43 -1.11 -0.76 114.38 118.98 1jdp h ARG 223 Ca 0.11 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1jdp h ARG 223 Cb 0.75 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1jdp h ARG 223 CO 0.06 0.79 0.16 0.77 -1.51 0.00 0.00 179.97 180.24 1jdp h SER 224 N 1.23 0.43 -0.03 -3.80 0.02 -1.21 -0.63 113.55 109.57 1jdp h SER 224 Ca 0.35 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1jdp h SER 224 Cb -0.11 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1jdp h SER 224 CO -0.09 0.44 -0.04 0.40 -1.14 0.00 0.00 176.83 176.40 1jdp h ILE 225 N 0.40 0.87 -0.34 3.27 1.08 -0.98 -1.66 117.51 120.15 1jdp h ILE 225 Ca 0.11 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.62 1jdp h ILE 225 Cb 0.12 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 34.72 1jdp h ILE 225 CO -0.01 0.00 0.23 0.24 -0.69 0.00 0.00 178.15 177.92 1jdp h MET 226 N -0.07 0.29 -0.16 2.37 2.86 -0.95 0.11 114.93 119.38 1jdp h MET 226 Ca 0.03 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 1jdp h MET 226 Cb 0.11 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 1jdp h MET 226 CO -0.07 0.19 -0.22 -0.07 1.06 0.00 0.00 176.91 177.80 1jdp h LEU 227 N 0.29 0.48 -0.70 1.22 3.38 -0.42 -0.83 115.31 118.73 1jdp h LEU 227 Ca 0.14 -0.51 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 1jdp h LEU 227 Cb 0.21 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1jdp h LEU 227 CO -0.03 0.90 -0.10 0.58 0.09 0.00 0.00 178.44 179.87 1jdp h VAL 228 N 0.07 1.26 -0.86 1.22 2.07 -0.65 -2.18 116.25 117.19 1jdp h VAL 228 Ca 0.02 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 1jdp h VAL 228 Cb 0.79 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1jdp h VAL 228 CO 0.05 0.42 0.47 0.00 0.02 0.00 0.00 177.57 178.53 1jdp h ALA 229 N 1.07 1.20 -0.42 1.67 0.00 -0.75 -1.58 119.26 120.45 1jdp h ALA 229 Ca 0.13 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1jdp h ALA 229 Cb 0.63 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1jdp h ALA 229 CO 0.04 0.64 0.17 1.25 0.00 0.00 0.00 179.25 181.36 1jdp h HIS 230 N 1.21 0.31 -0.29 0.00 6.17 -0.57 -0.41 115.15 121.56 1jdp h HIS 230 Ca 0.30 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.36 1jdp h HIS 230 Cb 0.03 -0.08 -0.02 0.00 2.52 0.00 0.00 27.41 29.87 1jdp h HIS 230 CO 0.01 0.13 -0.01 -0.09 0.71 0.00 0.00 177.93 178.69 1jdp h ARG 231 N 0.35 0.45 -0.14 5.26 2.43 -1.00 -1.35 114.38 120.39 1jdp h ARG 231 Ca 0.19 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1jdp h ARG 231 Cb 0.15 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1jdp h ARG 231 CO -0.17 0.48 0.00 0.72 -1.51 0.00 0.00 179.97 179.49 1jdp n HIS 232 N -4.30 0.18 -1.90 2.20 8.25 -0.63 -4.90 115.22 114.12 1jdp n HIS 232 Ca 0.01 -0.09 -0.15 0.00 -0.26 0.00 0.00 57.72 57.23 1jdp n HIS 232 Cb 0.23 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 1jdp n HIS 232 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jdp n GLY 233 N 0.75 0.54 0.10 -1.41 0.00 -0.51 -4.91 105.19 99.75 1jdp n GLY 233 Ca 0.06 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.90 1jdp n GLY 233 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jdp n MET 234 N -2.48 0.33 -2.60 1.61 2.81 -0.26 -4.87 117.12 111.67 1jdp n MET 234 Ca -0.16 -0.19 -0.24 0.00 -1.81 0.00 0.00 57.70 55.30 1jdp n MET 234 Cb 0.56 -1.50 0.11 0.00 -0.71 0.00 0.00 33.22 31.69 1jdp n MET 234 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1jdp s THR 235 N -2.80 2.11 -0.62 2.03 -4.23 -1.26 -3.58 115.64 107.28 1jdp s THR 235 Ca 0.16 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1jdp s THR 235 Cb 0.18 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.52 1jdp s THR 235 CO 0.63 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 173.17 1jdp n SER 236 N -2.83 -2.93 0.00 3.99 3.41 -1.26 -4.45 113.62 109.55 1jdp n SER 236 Ca 0.15 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1jdp n SER 236 Cb 0.61 -1.95 0.00 0.00 -0.26 0.00 0.00 64.21 62.61 1jdp n SER 236 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jdp n GLY 237 N -1.30 3.59 0.24 5.00 0.00 -1.26 -4.97 105.19 106.49 1jdp n GLY 237 Ca -0.08 -0.96 0.11 0.00 0.00 0.00 0.00 46.02 45.09 1jdp n GLY 237 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jdp h ASP 238 N 0.91 0.00 -4.26 1.61 3.32 -1.78 -3.44 116.42 112.78 1jdp h ASP 238 Ca 0.00 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.62 1jdp h ASP 238 Cb 0.00 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.29 1jdp h ASP 238 CO 0.00 0.18 -0.79 -0.31 -1.72 0.00 0.00 179.24 176.60 1jdp s TYR 239 N -3.93 1.10 -0.36 4.55 1.51 -1.24 -4.86 117.35 114.12 1jdp s TYR 239 Ca -0.01 -0.30 -0.08 0.00 -1.01 0.00 0.00 57.07 55.67 1jdp s TYR 239 Cb 0.12 -0.67 0.05 0.00 -0.11 0.00 0.00 41.96 41.34 1jdp s TYR 239 CO 0.61 0.01 0.16 0.00 -1.11 0.00 0.00 175.55 175.21 1jdp s ALA 240 N -0.65 3.14 0.04 3.71 0.00 -0.19 -4.86 121.76 122.94 1jdp s ALA 240 Ca 0.02 -1.84 -0.07 0.00 0.00 0.00 0.00 51.96 50.07 1jdp s ALA 240 Cb -0.07 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.60 1jdp s ALA 240 CO 0.01 -1.42 0.30 -0.06 0.00 0.00 0.00 175.76 174.58 1jdp s PHE 241 N 1.43 3.57 0.01 0.00 0.40 -0.84 -0.71 117.98 121.84 1jdp s PHE 241 Ca 0.00 0.59 0.01 0.00 -0.60 0.00 0.00 56.93 56.94 1jdp s PHE 241 Cb -0.20 -2.01 -0.01 0.00 0.51 0.00 0.00 43.02 41.31 1jdp s PHE 241 CO 0.03 0.58 -0.05 -0.06 0.70 0.00 0.00 175.22 176.42 1jdp s PHE 242 N -1.36 0.43 0.15 0.36 0.40 0.33 -0.52 117.98 117.78 1jdp s PHE 242 Ca 0.30 -0.24 0.06 0.00 -0.60 0.00 0.00 56.93 56.45 1jdp s PHE 242 Cb -0.13 -0.27 -0.04 0.00 0.51 0.00 0.00 43.02 43.08 1jdp s PHE 242 CO 0.18 -0.05 -0.12 0.54 0.70 0.00 0.00 175.22 176.47 1jdp s ASN 243 N -0.66 2.02 -0.25 1.36 4.22 -0.52 -0.31 114.94 120.81 1jdp s ASN 243 Ca -0.04 -0.95 -0.02 0.00 -2.14 0.00 0.00 52.86 49.71 1jdp s ASN 243 Cb -0.05 -0.06 0.02 0.00 1.28 0.00 0.00 41.25 42.45 1jdp s ASN 243 CO -0.00 -0.24 -0.06 -0.63 -2.04 0.00 0.00 177.10 174.13 1jdp s ILE 244 N -2.89 2.91 -0.49 0.54 -1.09 -1.04 -1.05 121.20 118.08 1jdp s ILE 244 Ca 0.16 -1.00 0.04 0.00 -2.23 0.00 0.00 60.65 57.62 1jdp s ILE 244 Cb -0.00 -2.47 0.17 0.00 -1.58 0.00 0.00 42.46 38.58 1jdp s ILE 244 CO 0.03 0.21 0.38 -1.61 -1.23 0.00 0.00 174.94 172.71 1jdp s GLU 245 N 1.33 1.32 0.15 2.79 0.41 -0.06 -4.81 118.70 119.83 1jdp s GLU 245 Ca 0.00 -2.42 0.06 0.00 -0.41 0.00 0.00 54.97 52.21 1jdp s GLU 245 Cb -0.16 -1.97 -0.10 0.00 -1.78 0.00 0.00 34.13 30.11 1jdp s GLU 245 CO -0.04 -1.35 1.33 -0.07 -0.49 0.00 0.00 175.26 174.64 1jdp h LEU 246 N 5.62 0.06 0.00 1.80 3.38 -1.94 -3.38 115.31 120.86 1jdp h LEU 246 Ca 0.23 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1jdp h LEU 246 Cb 0.87 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1jdp h LEU 246 CO 0.46 0.97 -1.27 0.49 0.09 0.00 0.00 178.44 179.18 1jdp n PHE 247 N -3.47 0.00 -2.79 1.13 3.72 -1.26 -3.92 117.46 110.87 1jdp n PHE 247 Ca -0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.96 1jdp n PHE 247 Cb 0.88 -0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 39.20 1jdp n PHE 247 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1jdp s ASN 248 N -4.07 6.35 0.60 4.37 3.84 -1.26 -4.69 114.94 120.07 1jdp s ASN 248 Ca -0.05 -0.30 0.33 0.00 0.21 0.00 0.00 52.86 53.05 1jdp s ASN 248 Cb 0.01 -2.46 1.91 0.00 -0.55 0.00 0.00 41.25 40.16 1jdp s ASN 248 CO 0.13 -1.29 2.25 0.77 -2.79 0.00 0.00 177.10 176.16 1jdp h SER 249 N 9.38 0.00 1.20 -4.21 4.64 -1.93 0.68 113.55 123.31 1jdp h SER 249 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1jdp h SER 249 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1jdp h SER 249 CO 1.11 0.02 0.00 0.28 -0.87 0.00 0.00 176.83 177.38 1jdp h SER 250 N 0.00 0.00 0.22 4.97 0.02 -1.96 -2.64 113.55 114.16 1jdp h SER 250 Ca -0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1jdp h SER 250 Cb 0.08 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1jdp h SER 250 CO 0.00 0.00 -1.92 -1.20 -1.14 0.00 0.00 176.83 172.57 1jdp n SER 251 N -3.06 0.24 -0.81 3.07 7.64 0.20 -4.27 113.62 116.63 1jdp n SER 251 Ca 0.01 0.10 0.07 0.00 1.01 0.00 0.00 58.87 60.07 1jdp n SER 251 Cb 0.35 1.22 0.19 0.00 -1.01 0.00 0.00 64.21 64.95 1jdp n SER 251 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jdp n TYR 252 N -2.56 0.54 -1.79 1.43 0.18 -1.03 -4.82 117.16 109.11 1jdp n TYR 252 Ca -0.13 -0.44 -0.32 0.00 1.88 0.00 0.00 57.90 58.89 1jdp n TYR 252 Cb 0.79 -0.02 0.03 0.00 -0.38 0.00 0.00 39.34 39.77 1jdp n TYR 252 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1jdp s GLY 253 N -1.03 1.88 0.38 -7.48 0.00 -1.00 -4.96 107.32 95.12 1jdp s GLY 253 Ca 0.29 0.23 -0.25 0.00 0.00 0.00 0.00 44.72 44.99 1jdp s GLY 253 CO 0.20 0.55 0.92 1.34 0.00 0.00 0.00 173.10 176.11 1jdp n ASP 254 N -2.62 0.85 -1.53 1.64 2.03 -1.26 -3.04 116.55 112.62 1jdp n ASP 254 Ca 0.08 1.05 -0.07 0.00 0.52 0.00 0.00 54.79 56.37 1jdp n ASP 254 Cb 0.53 -1.29 0.03 0.00 -0.72 0.00 0.00 41.12 39.67 1jdp n ASP 254 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jdp n GLY 255 N 1.31 0.43 0.18 0.27 0.00 -1.26 -4.93 105.19 101.18 1jdp n GLY 255 Ca 0.10 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.88 1jdp n GLY 255 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jdp h SER 256 N -0.80 0.00 1.64 1.61 4.64 -1.85 -2.24 113.55 116.54 1jdp h SER 256 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1jdp h SER 256 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1jdp h SER 256 CO 0.17 0.00 -0.12 4.11 -0.87 0.00 0.00 176.83 180.12 1jdp h TRP 257 N 0.00 0.00 -3.56 4.77 5.08 -1.91 -3.47 115.95 116.86 1jdp h TRP 257 Ca 0.00 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.45 1jdp h TRP 257 Cb 0.16 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.30 1jdp h TRP 257 CO 0.00 0.00 0.25 0.21 -1.28 0.00 0.00 178.44 177.62 1jdp s LYS 258 N -3.18 4.65 0.00 0.12 2.20 -0.85 -4.71 119.74 117.98 1jdp s LYS 258 Ca 0.08 1.28 0.00 0.00 -0.36 0.00 0.00 55.97 56.97 1jdp s LYS 258 Cb 0.09 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1jdp s LYS 258 CO 0.66 0.41 0.02 0.54 -0.36 0.00 0.00 175.35 176.62 1jdp n ARG 259 N 2.13 0.18 -2.63 4.03 5.12 -1.26 -4.97 116.66 119.25 1jdp n ARG 259 Ca -0.02 -0.02 -0.09 0.00 -1.93 0.00 0.00 57.85 55.79 1jdp n ARG 259 Cb 0.49 -0.33 0.02 0.00 -1.16 0.00 0.00 32.46 31.48 1jdp n ARG 259 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jdp n GLY 260 N 0.03 0.24 4.00 -0.13 0.00 -1.26 -5.02 105.19 103.05 1jdp n GLY 260 Ca 0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 46.02 45.43 1jdp n GLY 260 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jdp s ASP 261 N -2.94 5.53 0.00 1.61 3.68 -1.26 -4.98 116.67 118.31 1jdp s ASP 261 Ca 0.14 -0.28 0.25 0.00 2.13 0.00 0.00 52.55 54.79 1jdp s ASP 261 Cb -0.06 -0.73 1.29 0.00 -1.45 0.00 0.00 42.92 41.96 1jdp s ASP 261 CO 0.18 -0.89 1.85 2.29 0.13 0.00 0.00 175.17 178.73 1jdp n LYS 262 N -2.02 1.27 -0.00 4.34 2.85 -1.26 -2.89 118.16 120.45 1jdp n LYS 262 Ca 0.08 -0.40 0.03 0.00 -1.05 0.00 0.00 58.31 56.97 1jdp n LYS 262 Cb 0.59 -1.42 0.03 0.00 -0.65 0.00 0.00 35.03 33.58 1jdp n LYS 262 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1jdp n HIS 263 N -0.45 0.00 -0.28 5.58 8.25 -1.26 -4.75 115.22 122.32 1jdp n HIS 263 Ca 0.19 -0.01 0.17 0.00 -0.26 0.00 0.00 57.72 57.81 1jdp n HIS 263 Cb 0.19 -0.00 0.46 0.00 1.12 0.00 0.00 29.99 31.76 1jdp n HIS 263 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1jdp h ASP 264 N 1.20 0.51 -0.04 0.41 3.45 -1.84 -0.14 116.42 119.97 1jdp h ASP 264 Ca 0.00 0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.48 1jdp h ASP 264 Cb 0.26 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 1jdp h ASP 264 CO 0.00 0.20 -0.10 0.15 -1.57 0.00 0.00 179.24 177.92 1jdp h PHE 265 N 0.51 0.17 -0.91 4.55 3.57 -1.85 -2.12 116.94 120.86 1jdp h PHE 265 Ca 0.50 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.97 1jdp h PHE 265 Cb 1.10 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.76 1jdp h PHE 265 CO -0.00 0.70 0.59 1.49 -2.23 0.00 0.00 178.31 178.86 1jdp h GLU 266 N -0.40 1.13 -0.64 1.11 4.81 -1.74 -2.53 114.58 116.31 1jdp h GLU 266 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1jdp h GLU 266 Cb 0.69 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1jdp h GLU 266 CO 0.02 0.75 0.41 0.00 -0.73 0.00 0.00 179.01 179.45 1jdp h ALA 267 N 1.37 0.82 -0.69 2.92 0.00 -1.03 0.76 119.26 123.41 1jdp h ALA 267 Ca 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1jdp h ALA 267 Cb -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1jdp h ALA 267 CO -0.11 0.27 0.44 -0.22 0.00 0.00 0.00 179.25 179.63 1jdp h LYS 268 N 0.87 0.91 -0.27 0.00 3.64 -0.97 0.54 116.57 121.29 1jdp h LYS 268 Ca 0.23 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1jdp h LYS 268 Cb -0.06 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 1jdp h LYS 268 CO -0.05 0.62 -0.08 1.96 -2.27 0.00 0.00 179.45 179.63 1jdp h GLN 269 N 0.93 0.54 -0.54 1.90 4.20 -1.13 -3.12 115.11 117.89 1jdp h GLN 269 Ca 0.25 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1jdp h GLN 269 Cb -0.08 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1jdp h GLN 269 CO -0.05 0.76 0.35 0.00 -0.67 0.00 0.00 178.83 179.21 1jdp h ALA 270 N 0.76 0.69 0.00 3.87 0.00 -0.46 -2.31 119.26 121.82 1jdp h ALA 270 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jdp h ALA 270 Cb 0.57 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jdp h ALA 270 CO 0.03 0.09 0.00 0.66 0.00 0.00 0.00 179.25 180.03 1jdp n TYR 271 N -4.74 0.00 0.28 0.00 4.02 0.15 -2.12 117.16 114.75 1jdp n TYR 271 Ca 0.04 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.09 1jdp n TYR 271 Cb 0.05 -0.25 0.82 0.00 -0.02 0.00 0.00 39.34 39.93 1jdp n TYR 271 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1jdp h SER 272 N 0.00 0.00 -0.37 7.72 4.64 -1.37 -1.72 113.55 122.45 1jdp h SER 272 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jdp h SER 272 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1jdp h SER 272 CO 0.00 0.06 0.00 -1.54 -0.87 0.00 0.00 176.83 174.48 1jdp n SER 273 N -3.33 3.38 -4.65 4.97 3.41 -0.90 -4.73 113.62 111.78 1jdp n SER 273 Ca -0.01 -1.97 -0.35 0.00 -0.26 0.00 0.00 58.87 56.28 1jdp n SER 273 Cb 0.23 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 63.84 1jdp n SER 273 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1jdp s LEU 274 N -1.44 3.73 -0.02 1.04 1.98 -0.65 -1.99 118.68 121.34 1jdp s LEU 274 Ca 0.37 0.10 0.06 0.00 -2.89 0.00 0.00 54.13 51.77 1jdp s LEU 274 Cb 0.22 -1.91 -0.02 0.00 0.66 0.00 0.00 46.19 45.13 1jdp s LEU 274 CO 0.30 0.24 -0.19 -1.10 -1.89 0.00 0.00 176.35 173.71 1jdp s GLN 275 N -0.05 2.27 -0.16 1.98 -0.21 0.32 -4.36 119.66 119.45 1jdp s GLN 275 Ca 0.05 -0.84 -0.02 0.00 0.02 0.00 0.00 55.36 54.57 1jdp s GLN 275 Cb -0.12 -2.21 -0.02 0.00 1.00 0.00 0.00 33.01 31.65 1jdp s GLN 275 CO 0.01 0.58 -0.08 0.99 -2.12 0.00 0.00 175.29 174.68 1jdp s THR 276 N -0.72 3.42 -0.10 -0.19 2.01 0.86 -1.43 115.64 119.49 1jdp s THR 276 Ca 0.11 -0.52 -0.13 0.00 0.31 0.00 0.00 61.69 61.46 1jdp s THR 276 Cb -0.10 -2.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 1jdp s THR 276 CO 0.01 0.49 0.32 -0.69 -0.69 0.00 0.00 174.62 174.06 1jdp s VAL 277 N 0.60 5.24 0.29 3.82 1.01 -0.22 -0.41 120.40 130.74 1jdp s VAL 277 Ca -0.05 0.62 -0.06 0.00 0.00 0.00 0.00 61.98 62.49 1jdp s VAL 277 Cb -0.15 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1jdp s VAL 277 CO 0.03 0.48 0.44 0.28 0.00 0.00 0.00 175.10 176.33 1jdp s THR 278 N -0.24 0.00 0.21 3.92 -1.32 -0.77 -0.88 115.64 116.55 1jdp s THR 278 Ca 0.19 -1.57 -0.30 0.00 -1.21 0.00 0.00 61.69 58.81 1jdp s THR 278 Cb -0.14 -2.48 -0.08 0.00 -1.51 0.00 0.00 72.50 68.28 1jdp s THR 278 CO 0.07 0.00 0.94 -0.76 -2.21 0.00 0.00 174.62 172.66 1jdp s LEU 279 N -3.15 4.62 -0.52 9.08 1.43 -1.25 -1.13 118.68 127.75 1jdp s LEU 279 Ca 0.28 1.90 -0.26 0.00 -1.03 0.00 0.00 54.13 55.03 1jdp s LEU 279 Cb 0.00 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.66 1jdp s LEU 279 CO 0.15 0.11 1.00 -0.22 0.23 0.00 0.00 176.35 177.62 1jdp s LEU 280 N -0.93 3.92 0.22 1.79 2.96 -0.66 -4.65 118.68 121.32 1jdp s LEU 280 Ca 0.42 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 1jdp s LEU 280 Cb -0.25 -3.05 -0.04 0.00 0.50 0.00 0.00 46.19 43.35 1jdp s LEU 280 CO 0.31 -1.22 0.39 -0.13 -1.32 0.00 0.00 176.35 174.38 1jdp s ARG 281 N 4.11 3.50 0.23 1.98 1.81 -1.26 -4.76 118.95 124.55 1jdp s ARG 281 Ca 0.36 -0.42 0.05 0.00 -1.72 0.00 0.00 55.73 54.00 1jdp s ARG 281 Cb -0.10 -2.84 -0.05 0.00 -0.45 0.00 0.00 34.95 31.51 1jdp s ARG 281 CO 0.23 0.39 -0.06 0.95 -0.68 0.00 0.00 175.30 176.13 1jdp s THR 282 N -1.92 1.38 0.06 0.02 -4.23 -1.26 -5.17 115.64 104.52 1jdp s THR 282 Ca 0.38 -2.10 -0.01 0.00 -1.18 0.00 0.00 61.69 58.78 1jdp s THR 282 Cb -0.11 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 1jdp s THR 282 CO 0.30 -0.44 -0.02 0.68 -0.54 0.00 0.00 174.62 174.60 1jdp s VAL 283 N -3.19 0.22 0.14 2.29 -7.23 -1.25 -4.81 120.40 106.57 1jdp s VAL 283 Ca 0.26 -1.83 -0.22 0.00 -1.81 0.00 0.00 61.98 58.38 1jdp s VAL 283 Cb 0.03 -1.59 0.06 0.00 0.56 0.00 0.00 36.38 35.45 1jdp s VAL 283 CO 0.08 -0.93 0.57 -1.59 -0.31 0.00 0.00 175.10 172.92 1jdp s LYS 284 N -3.93 1.23 0.14 4.82 -2.85 -1.26 -4.94 119.74 112.94 1jdp s LYS 284 Ca 0.09 -0.46 -0.21 0.00 -1.00 0.00 0.00 55.97 54.40 1jdp s LYS 284 Cb 0.08 0.56 0.01 0.00 -2.06 0.00 0.00 37.83 36.43 1jdp s LYS 284 CO -0.08 -0.52 1.18 -2.30 0.10 0.00 0.00 175.35 173.72 1jdp n PRO 285 N -0.26 -0.29 -0.25 1.78 -0.02 -1.26 -0.10 135.00 134.60 1jdp n PRO 285 Ca -0.17 1.16 0.05 0.00 -2.02 0.00 0.00 63.50 62.51 1jdp n PRO 285 Cb 0.64 -1.70 0.18 0.00 -0.02 0.00 0.00 33.50 32.60 1jdp n PRO 285 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jdp h GLU 286 N 0.00 0.42 -0.94 -0.52 5.08 -1.98 -1.36 114.58 115.27 1jdp h GLU 286 Ca 0.16 -0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.68 1jdp h GLU 286 Cb 0.35 -0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.40 1jdp h GLU 286 CO -0.73 0.28 0.53 0.35 -1.00 0.00 0.00 179.01 178.44 1jdp h PHE 287 N 0.43 0.92 -0.54 4.33 3.57 -0.47 0.61 116.94 125.79 1jdp h PHE 287 Ca 0.41 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.94 1jdp h PHE 287 Cb 0.61 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1jdp h PHE 287 CO -0.17 0.17 0.33 0.93 -2.23 0.00 0.00 178.31 177.34 1jdp h GLU 288 N 0.66 0.73 0.12 1.11 5.08 -1.17 0.12 114.58 121.23 1jdp h GLU 288 Ca 0.55 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.84 1jdp h GLU 288 Cb 0.87 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1jdp h GLU 288 CO -0.40 0.52 -0.06 0.87 -1.00 0.00 0.00 179.01 178.94 1jdp h LYS 289 N 0.73 -0.15 -0.54 2.33 1.57 -0.88 0.80 116.57 120.43 1jdp h LYS 289 Ca 0.20 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.09 1jdp h LYS 289 Cb -0.03 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.23 1jdp h LYS 289 CO -0.04 -0.02 0.01 0.35 -0.57 0.00 0.00 179.45 179.18 1jdp h PHE 290 N -0.25 -0.02 -0.26 -1.35 3.57 -0.81 0.46 116.94 118.28 1jdp h PHE 290 Ca -0.02 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1jdp h PHE 290 Cb 0.20 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1jdp h PHE 290 CO -0.04 -0.12 0.13 0.77 -2.23 0.00 0.00 178.31 176.82 1jdp h SER 291 N 0.13 0.33 0.10 0.41 0.02 -0.41 0.48 113.55 114.61 1jdp h SER 291 Ca 0.28 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1jdp h SER 291 Cb 0.43 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1jdp h SER 291 CO -0.45 0.34 -0.12 0.24 -1.14 0.00 0.00 176.83 175.71 1jdp h MET 292 N 0.29 -0.24 -0.72 3.45 2.86 0.07 0.28 114.93 120.92 1jdp h MET 292 Ca 0.09 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1jdp h MET 292 Cb 0.09 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1jdp h MET 292 CO -0.01 -0.16 0.37 0.93 1.06 0.00 0.00 176.91 179.09 1jdp h GLU 293 N -0.25 1.02 -0.23 1.72 5.08 0.11 -1.58 114.58 120.45 1jdp h GLU 293 Ca 0.01 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1jdp h GLU 293 Cb 0.25 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1jdp h GLU 293 CO -0.04 0.78 0.09 0.28 -1.00 0.00 0.00 179.01 179.12 1jdp h VAL 294 N 1.00 1.16 -0.51 3.13 2.07 0.30 -2.29 116.25 121.11 1jdp h VAL 294 Ca 0.25 -0.49 0.10 0.00 0.82 0.00 0.00 66.70 67.38 1jdp h VAL 294 Cb 0.08 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1jdp h VAL 294 CO -0.04 0.16 0.35 0.50 0.02 0.00 0.00 177.57 178.56 1jdp h LYS 295 N 0.22 0.25 0.24 1.57 3.64 -0.16 -2.55 116.57 119.78 1jdp h LYS 295 Ca 0.08 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1jdp h LYS 295 Cb 0.17 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1jdp h LYS 295 CO -0.01 0.16 -0.12 1.03 -2.27 0.00 0.00 179.45 178.25 1jdp h SER 296 N 0.25 -0.28 -0.33 4.20 0.87 -0.71 -2.09 113.55 115.47 1jdp h SER 296 Ca 0.24 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1jdp h SER 296 Cb 0.59 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 1jdp h SER 296 CO -0.05 -0.04 0.19 0.28 -0.53 0.00 0.00 176.83 176.68 1jdp h SER 297 N -0.51 0.40 -0.60 6.23 0.02 -1.35 -1.58 113.55 116.17 1jdp h SER 297 Ca -0.03 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1jdp h SER 297 Cb 0.38 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1jdp h SER 297 CO 0.06 0.34 0.33 0.58 -1.14 0.00 0.00 176.83 176.99 1jdp h VAL 298 N 0.42 1.19 0.12 2.27 2.07 -1.47 -1.20 116.25 119.65 1jdp h VAL 298 Ca 0.12 -0.50 -0.28 0.00 0.82 0.00 0.00 66.70 66.86 1jdp h VAL 298 Cb 0.02 0.37 0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1jdp h VAL 298 CO -0.02 0.22 -1.22 -0.33 0.02 0.00 0.00 177.57 176.24 1jdp h GLU 299 N 0.86 0.47 0.00 1.57 5.08 -1.27 -2.83 114.58 118.46 1jdp h GLU 299 Ca 0.22 -0.66 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1jdp h GLU 299 Cb 0.04 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1jdp h GLU 299 CO -0.03 1.29 0.00 -0.22 -1.00 0.00 0.00 179.01 179.04 1jdp h LYS 300 N 0.19 0.00 -1.00 2.33 3.64 -0.92 -0.79 116.57 120.02 1jdp h LYS 300 Ca -0.16 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.63 1jdp h LYS 300 Cb 1.90 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 33.42 1jdp h LYS 300 CO 0.22 0.00 0.75 0.94 -2.27 0.00 0.00 179.45 179.09 1jdp n GLN 301 N -2.83 2.44 -3.51 1.90 -0.06 -0.48 -4.97 117.38 109.86 1jdp n GLN 301 Ca -0.02 -3.12 -0.36 0.00 -2.00 0.00 0.00 57.00 51.51 1jdp n GLN 301 Cb 0.12 -2.22 0.03 0.00 -4.06 0.00 0.00 30.24 24.10 1jdp n GLN 301 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1jdp n GLY 302 N -1.04 -0.11 3.59 1.69 0.00 -0.30 -5.00 105.19 104.01 1jdp n GLY 302 Ca 0.61 1.09 -0.12 0.00 0.00 0.00 0.00 46.02 47.60 1jdp n GLY 302 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jdp s LEU 303 N -2.82 -0.52 -0.09 0.99 1.43 -1.23 -5.03 118.68 111.41 1jdp s LEU 303 Ca 0.32 0.76 -0.28 0.00 -1.03 0.00 0.00 54.13 53.91 1jdp s LEU 303 Cb -0.04 2.12 -0.02 0.00 0.03 0.00 0.00 46.19 48.29 1jdp s LEU 303 CO 0.87 -0.34 0.94 0.54 0.23 0.00 0.00 176.35 178.60 1jdp s ASN 304 N -0.54 7.20 0.78 2.29 4.22 -1.26 -4.45 114.94 123.18 1jdp s ASN 304 Ca -0.02 1.47 -0.10 0.00 -2.14 0.00 0.00 52.86 52.07 1jdp s ASN 304 Cb -0.02 -2.53 0.08 0.00 1.28 0.00 0.00 41.25 40.05 1jdp s ASN 304 CO 0.01 -0.37 1.12 -0.32 -2.04 0.00 0.00 177.10 175.51 1jdp s MET 305 N 1.69 2.01 -0.71 3.55 1.75 -1.26 -4.98 119.30 121.35 1jdp s MET 305 Ca 0.47 -0.04 0.00 0.00 -1.25 0.00 0.00 55.69 54.87 1jdp s MET 305 Cb -0.19 -2.03 0.37 0.00 2.84 0.00 0.00 34.83 35.83 1jdp s MET 305 CO 0.19 -1.49 1.70 -0.85 -0.65 0.00 0.00 175.02 173.92 1jdp n GLU 306 N -3.19 3.07 0.00 4.11 -0.00 -1.26 -5.03 120.64 118.35 1jdp n GLU 306 Ca 0.08 -3.91 0.00 0.00 -0.00 0.00 0.00 57.16 53.33 1jdp n GLU 306 Cb 0.61 -2.27 0.00 0.00 -0.00 0.00 0.00 31.44 29.78 1jdp n GLU 306 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1jdp n ASP 307 N -0.50 0.00 -4.80 -1.84 8.00 -1.26 -4.42 116.55 111.73 1jdp n ASP 307 Ca 0.48 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.64 1jdp n ASP 307 Cb 0.38 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.43 1jdp n ASP 307 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1jdp s TYR 308 N 0.00 3.23 0.32 1.24 1.51 -1.26 -4.96 117.35 117.44 1jdp s TYR 308 Ca 0.00 1.63 -0.29 0.00 -1.01 0.00 0.00 57.07 57.40 1jdp s TYR 308 Cb 0.00 -3.01 -0.10 0.00 -0.11 0.00 0.00 41.96 38.73 1jdp s TYR 308 CO 0.00 -0.48 1.37 0.14 -1.11 0.00 0.00 175.55 175.48 1jdp s VAL 309 N -1.90 2.57 1.12 0.71 -7.23 -1.26 -5.03 120.40 109.38 1jdp s VAL 309 Ca 0.61 0.55 -0.17 0.00 -1.81 0.00 0.00 61.98 61.16 1jdp s VAL 309 Cb -0.16 -3.35 0.25 0.00 0.56 0.00 0.00 36.38 33.68 1jdp s VAL 309 CO 0.21 0.12 1.12 0.54 -0.31 0.00 0.00 175.10 176.78 1jdp s ASN 310 N -0.24 1.60 0.45 4.85 2.20 -1.26 -4.78 114.94 117.76 1jdp s ASN 310 Ca 0.52 0.75 0.12 0.00 -0.94 0.00 0.00 52.86 53.30 1jdp s ASN 310 Cb -0.42 -1.10 1.02 0.00 -2.00 0.00 0.00 41.25 38.75 1jdp s ASN 310 CO 0.53 -3.72 2.06 -0.03 -2.94 0.00 0.00 177.10 173.00 1jdp h MET 311 N -2.30 0.36 -0.32 3.55 1.85 -1.91 -2.28 114.93 113.88 1jdp h MET 311 Ca -0.48 -0.02 -0.06 0.00 -0.61 0.00 0.00 59.70 58.53 1jdp h MET 311 Cb 1.30 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 33.24 1jdp h MET 311 CO 0.42 0.24 -0.03 0.74 -0.40 0.00 0.00 176.91 177.88 1jdp h PHE 312 N 0.37 0.64 -0.39 1.39 -1.00 -1.89 0.15 116.94 116.21 1jdp h PHE 312 Ca 0.15 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 1jdp h PHE 312 Cb 0.15 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.53 1jdp h PHE 312 CO -0.00 0.73 0.18 0.28 -1.61 0.00 0.00 178.31 177.89 1jdp h VAL 313 N 0.36 1.17 0.44 -0.55 2.07 -1.77 -1.06 116.25 116.92 1jdp h VAL 313 Ca 0.09 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1jdp h VAL 313 Cb 0.49 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1jdp h VAL 313 CO 0.02 0.19 -0.21 -0.08 0.02 0.00 0.00 177.57 177.51 1jdp h GLU 314 N 0.49 -0.57 -0.99 1.57 4.81 -1.34 -2.82 114.58 115.74 1jdp h GLU 314 Ca 0.13 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.52 1jdp h GLU 314 Cb 0.12 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.55 1jdp h GLU 314 CO -0.02 -0.30 0.63 0.78 -0.73 0.00 0.00 179.01 179.37 1jdp h GLY 315 N -0.76 1.58 2.00 1.92 0.00 -0.62 -0.99 103.07 106.20 1jdp h GLY 315 Ca -0.06 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1jdp h GLY 315 CO 0.10 0.17 -0.26 0.74 0.00 0.00 0.00 176.54 177.30 1jdp h PHE 316 N 0.98 0.00 -0.16 5.60 0.05 -1.15 0.27 116.94 122.53 1jdp h PHE 316 Ca 0.48 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 62.14 1jdp h PHE 316 Cb 0.47 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.43 1jdp h PHE 316 CO -0.00 0.26 -0.41 1.25 -0.18 0.00 0.00 178.31 179.22 1jdp h HIS 317 N 0.00 0.73 0.00 -0.55 -0.00 -0.95 -2.79 115.15 111.59 1jdp h HIS 317 Ca -0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 1jdp h HIS 317 Cb 0.65 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.93 1jdp h HIS 317 CO 0.00 1.04 0.00 -0.44 -0.00 0.00 0.00 177.93 178.53 1jdp h ASP 318 N 0.22 0.00 -0.34 3.26 3.45 -0.83 -2.99 116.42 119.18 1jdp h ASP 318 Ca -0.01 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 1jdp h ASP 318 Cb 1.03 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.78 1jdp h ASP 318 CO 0.09 0.00 0.06 0.00 -1.57 0.00 0.00 179.24 177.82 1jdp h ALA 319 N 2.08 0.45 0.30 3.45 0.00 -0.20 -1.33 119.26 124.01 1jdp h ALA 319 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1jdp h ALA 319 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1jdp h ALA 319 CO 0.00 0.14 -0.19 0.82 0.00 0.00 0.00 179.25 180.02 1jdp h ILE 320 N 0.40 0.60 -0.91 0.00 1.08 -1.44 -1.27 117.51 115.97 1jdp h ILE 320 Ca 0.10 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.67 1jdp h ILE 320 Cb 0.33 0.60 -0.07 0.00 -3.07 0.00 0.00 36.82 34.61 1jdp h ILE 320 CO 0.00 0.00 0.55 -0.07 -0.69 0.00 0.00 178.15 177.95 1jdp h LEU 321 N -0.47 0.82 -0.82 1.44 3.38 -1.48 -1.28 115.31 116.91 1jdp h LEU 321 Ca -0.03 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1jdp h LEU 321 Cb 0.40 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1jdp h LEU 321 CO 0.02 0.47 -0.30 0.25 0.09 0.00 0.00 178.44 178.97 1jdp h LEU 322 N 0.93 0.55 0.35 1.67 5.85 -1.06 -2.20 115.31 121.40 1jdp h LEU 322 Ca 0.43 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1jdp h LEU 322 Cb 0.35 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1jdp h LEU 322 CO -0.23 0.83 -0.17 0.22 -0.34 0.00 0.00 178.44 178.75 1jdp h TYR 323 N 0.47 -0.44 -0.58 1.25 3.20 -0.13 -2.26 116.97 118.48 1jdp h TYR 323 Ca 0.06 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.02 1jdp h TYR 323 Cb 0.76 0.14 -0.08 0.00 1.54 0.00 0.00 36.73 39.09 1jdp h TYR 323 CO 0.03 -0.21 0.14 0.28 -1.64 0.00 0.00 178.16 176.76 1jdp h VAL 324 N -0.57 0.68 -0.65 1.81 2.07 -1.24 0.19 116.25 118.54 1jdp h VAL 324 Ca -0.05 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1jdp h VAL 324 Cb 0.42 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1jdp h VAL 324 CO 0.08 0.05 0.38 -0.07 0.02 0.00 0.00 177.57 178.03 1jdp h LEU 325 N 0.28 0.59 -0.49 2.57 4.07 -1.31 -0.44 115.31 120.58 1jdp h LEU 325 Ca 0.30 0.02 -0.10 0.00 0.08 0.00 0.00 57.88 58.17 1jdp h LEU 325 Cb 0.42 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 1jdp h LEU 325 CO -0.37 0.40 -0.09 0.00 -1.08 0.00 0.00 178.44 177.30 1jdp h ALA 326 N 1.31 0.67 -0.22 1.53 0.00 -0.62 -2.68 119.26 119.25 1jdp h ALA 326 Ca 0.28 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1jdp h ALA 326 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1jdp h ALA 326 CO -0.15 0.56 -0.02 1.25 0.00 0.00 0.00 179.25 180.89 1jdp h LEU 327 N 0.78 0.30 0.00 0.00 5.85 -0.22 -2.16 115.31 119.85 1jdp h LEU 327 Ca 0.13 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1jdp h LEU 327 Cb 0.63 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1jdp h LEU 327 CO 0.04 0.37 0.00 1.57 -0.34 0.00 0.00 178.44 180.08 1jdp n HIS 328 N -4.34 0.00 0.01 1.25 -0.00 -0.21 -1.40 115.22 110.53 1jdp n HIS 328 Ca 0.00 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.19 1jdp n HIS 328 Cb 0.21 -0.45 0.03 0.00 -0.12 0.00 0.00 29.99 29.66 1jdp n HIS 328 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1jdp n GLU 329 N -1.84 0.01 -0.07 1.57 0.00 -1.03 -0.91 120.64 118.37 1jdp n GLU 329 Ca 0.00 0.35 -0.20 0.00 0.00 0.00 0.00 57.16 57.31 1jdp n GLU 329 Cb 0.00 -1.70 -0.13 0.00 0.00 0.00 0.00 31.44 29.61 1jdp n GLU 329 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1jdp n VAL 330 N -1.39 1.63 -0.24 3.84 3.14 -0.82 -3.37 118.33 121.12 1jdp n VAL 330 Ca -0.00 -0.60 -0.07 0.00 -2.96 0.00 0.00 64.34 60.71 1jdp n VAL 330 Cb 0.18 -1.59 0.04 0.00 -1.06 0.00 0.00 33.84 31.41 1jdp n VAL 330 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1jdp h LEU 331 N -0.01 0.94 0.14 6.55 4.07 0.21 -0.91 115.31 126.30 1jdp h LEU 331 Ca -0.51 -0.19 0.02 0.00 0.08 0.00 0.00 57.88 57.29 1jdp h LEU 331 Cb 1.95 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 43.40 1jdp h LEU 331 CO -0.02 0.87 -0.33 0.03 -1.08 0.00 0.00 178.44 177.91 1jdp h ARG 332 N 0.95 -0.55 0.00 1.13 3.08 -1.32 0.20 114.38 117.86 1jdp h ARG 332 Ca 0.22 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1jdp h ARG 332 Cb 0.24 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1jdp h ARG 332 CO -0.01 -0.37 0.01 0.00 -1.07 0.00 0.00 179.97 178.52 1jdp n ALA 333 N -2.71 1.31 -0.50 0.04 0.00 -1.04 -4.76 120.51 112.85 1jdp n ALA 333 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1jdp n ALA 333 Cb 0.34 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1jdp n ALA 333 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jdp n GLY 334 N -1.07 0.72 4.02 0.00 0.00 0.70 -5.08 105.19 104.47 1jdp n GLY 334 Ca 0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 1jdp n GLY 334 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jdp s TYR 335 N -2.00 2.03 0.47 1.61 1.51 -0.37 -4.99 117.35 115.60 1jdp s TYR 335 Ca 0.00 -0.52 0.06 0.00 -1.01 0.00 0.00 57.07 55.60 1jdp s TYR 335 Cb 0.00 -2.38 -0.01 0.00 -0.11 0.00 0.00 41.96 39.46 1jdp s TYR 335 CO 0.00 -0.92 0.25 -1.54 -1.11 0.00 0.00 175.55 172.23 1jdp s SER 336 N -4.54 4.51 0.39 2.29 1.04 -1.26 -4.07 113.70 112.05 1jdp s SER 336 Ca 0.59 -1.20 0.28 0.00 0.48 0.00 0.00 55.95 56.11 1jdp s SER 336 Cb -0.08 -0.02 1.35 0.00 0.10 0.00 0.00 66.02 67.38 1jdp s SER 336 CO 0.37 -0.80 1.84 0.07 0.98 0.00 0.00 173.24 175.70 1jdp h LYS 337 N 1.14 0.00 -0.00 4.02 2.10 -1.97 -1.77 116.57 120.09 1jdp h LYS 337 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1jdp h LYS 337 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1jdp h LYS 337 CO 0.65 0.00 -0.04 1.63 -2.00 0.00 0.00 179.45 179.69 1jdp n LYS 338 N -2.49 0.39 -2.08 0.07 4.76 -1.26 -4.24 118.16 113.31 1jdp n LYS 338 Ca -0.00 -0.04 -0.41 0.00 -2.87 0.00 0.00 58.31 54.98 1jdp n LYS 338 Cb 0.13 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.82 1jdp n LYS 338 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1jdp n ASP 339 N -1.27 6.88 -0.28 4.39 9.92 -0.67 -4.79 116.55 130.73 1jdp n ASP 339 Ca 0.13 -3.09 0.08 0.00 -0.53 0.00 0.00 54.79 51.37 1jdp n ASP 339 Cb 0.27 -1.42 0.20 0.00 -0.64 0.00 0.00 41.12 39.53 1jdp n ASP 339 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1jdp h GLY 340 N 6.60 0.98 0.51 0.44 0.00 -1.52 0.17 103.07 110.26 1jdp h GLY 340 Ca 0.59 0.11 0.08 0.00 0.00 0.00 0.00 47.33 48.11 1jdp h GLY 340 CO 1.56 -0.35 0.28 -1.33 0.00 0.00 0.00 176.54 176.71 1jdp h GLY 341 N 0.09 0.89 0.87 4.60 0.00 -1.87 -0.03 103.07 107.63 1jdp h GLY 341 Ca 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 1jdp h GLY 341 CO -0.73 0.05 0.07 0.50 0.00 0.00 0.00 176.54 176.42 1jdp h LYS 342 N 0.51 0.35 -0.09 4.80 1.79 -1.11 -2.05 116.57 120.77 1jdp h LYS 342 Ca 0.30 -0.08 0.03 0.00 -2.18 0.00 0.00 60.65 58.73 1jdp h LYS 342 Cb 0.30 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.87 1jdp h LYS 342 CO -0.25 0.44 -0.12 0.82 -1.08 0.00 0.00 179.45 179.26 1jdp h ILE 343 N 0.19 0.67 -0.67 1.86 2.04 -0.54 -2.35 117.51 118.71 1jdp h ILE 343 Ca 0.07 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1jdp h ILE 343 Cb 0.24 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1jdp h ILE 343 CO -0.00 0.00 0.40 0.40 0.00 0.00 0.00 178.15 178.95 1jdp h ILE 344 N -0.16 1.04 -0.32 -0.67 1.08 -0.93 -0.96 117.51 116.60 1jdp h ILE 344 Ca 0.07 -0.26 0.03 0.00 -0.39 0.00 0.00 64.86 64.31 1jdp h ILE 344 Cb 0.27 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.20 1jdp h ILE 344 CO -0.19 0.14 0.21 -0.61 -0.69 0.00 0.00 178.15 177.02 1jdp h GLN 345 N 0.77 0.30 0.00 2.37 4.15 -1.02 0.02 115.11 121.69 1jdp h GLN 345 Ca 0.28 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.62 1jdp h GLN 345 Cb 0.08 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1jdp h GLN 345 CO -0.13 0.20 -0.33 1.96 -1.93 0.00 0.00 178.83 178.59 1jdp h GLN 346 N 0.30 0.00 0.00 1.69 1.08 -0.66 -2.85 115.11 114.67 1jdp h GLN 346 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1jdp h GLN 346 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1jdp h GLN 346 CO -0.03 0.33 -0.01 0.25 -0.95 0.00 0.00 178.83 178.42 1jdp n THR 347 N -3.54 0.18 -3.01 -0.54 -2.24 -0.02 -4.76 114.28 100.34 1jdp n THR 347 Ca -0.00 -0.08 -0.26 0.00 -2.27 0.00 0.00 64.05 61.43 1jdp n THR 347 Cb 0.47 -0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 68.17 1jdp n THR 347 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1jdp s TRP 348 N -3.03 3.52 -1.45 4.78 0.52 -1.08 -4.53 118.94 117.68 1jdp s TRP 348 Ca 0.13 0.63 -0.06 0.00 0.02 0.00 0.00 56.10 56.82 1jdp s TRP 348 Cb 0.17 -2.13 0.04 0.00 -1.15 0.00 0.00 33.47 30.40 1jdp s TRP 348 CO 0.55 -0.06 0.69 -1.71 0.02 0.00 0.00 176.95 176.44 1jdp n ASN 349 N -1.87 -2.06 -3.88 2.95 5.15 -0.76 -4.96 115.26 109.83 1jdp n ASN 349 Ca -0.02 -0.90 -0.09 0.00 -0.60 0.00 0.00 54.58 52.98 1jdp n ASN 349 Cb 0.55 -3.52 -0.07 0.00 -0.53 0.00 0.00 39.78 36.21 1jdp n ASN 349 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jdp s ARG 350 N -6.45 0.83 -0.08 1.20 1.70 -1.00 -4.95 118.95 110.20 1jdp s ARG 350 Ca 0.26 -0.99 0.05 0.00 -0.47 0.00 0.00 55.73 54.58 1jdp s ARG 350 Cb -0.14 0.33 -0.00 0.00 -0.57 0.00 0.00 34.95 34.57 1jdp s ARG 350 CO 0.86 -0.25 -0.24 0.99 -1.08 0.00 0.00 175.30 175.57 1jdp s THR 351 N -3.87 2.02 0.24 4.99 2.01 -1.26 -0.75 115.64 119.02 1jdp s THR 351 Ca 0.05 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 61.05 1jdp s THR 351 Cb 0.05 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 1jdp s THR 351 CO -0.11 0.56 0.18 0.72 -0.69 0.00 0.00 174.62 175.28 1jdp s PHE 352 N 0.13 1.36 -0.34 4.92 -0.71 0.13 -4.96 117.98 118.50 1jdp s PHE 352 Ca -0.12 -1.47 -0.15 0.00 -1.04 0.00 0.00 56.93 54.14 1jdp s PHE 352 Cb -0.16 -0.61 -0.01 0.00 -1.21 0.00 0.00 43.02 41.03 1jdp s PHE 352 CO 0.07 -0.72 0.38 -2.00 -1.34 0.00 0.00 175.22 171.61 1jdp s GLU 353 N -3.92 3.58 0.68 1.99 2.56 -1.26 0.06 118.70 122.39 1jdp s GLU 353 Ca 0.40 -0.38 0.04 0.00 0.00 0.00 0.00 54.97 55.02 1jdp s GLU 353 Cb 0.05 -3.80 0.12 0.00 2.00 0.00 0.00 34.13 32.50 1jdp s GLU 353 CO 0.17 -0.53 0.93 0.20 -0.56 0.00 0.00 175.26 175.47 1jdp s GLY 354 N 1.73 1.73 0.00 -1.50 0.00 -0.16 -4.95 107.32 104.19 1jdp s GLY 354 Ca 0.13 -1.98 0.04 0.00 0.00 0.00 0.00 44.72 42.90 1jdp s GLY 354 CO 0.12 -1.42 0.96 0.29 0.00 0.00 0.00 173.10 173.05 1jdp n ILE 355 N -2.63 0.00 0.00 0.90 -6.64 -1.26 -2.67 119.36 107.05 1jdp n ILE 355 Ca 0.16 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.14 1jdp n ILE 355 Cb 0.61 -0.16 0.00 0.00 -1.44 0.00 0.00 39.64 38.65 1jdp n ILE 355 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1jdp n ALA 356 N -0.57 1.53 0.00 -1.28 0.00 -1.26 -3.23 120.51 115.70 1jdp n ALA 356 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1jdp n ALA 356 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1jdp n ALA 356 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jdp n GLY 357 N 1.03 0.41 3.68 0.00 0.00 -1.09 -3.80 105.19 105.41 1jdp n GLY 357 Ca 0.00 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 1jdp n GLY 357 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jdp n GLN 358 N -0.41 1.62 -4.11 1.61 1.13 -1.26 -0.98 117.38 114.98 1jdp n GLN 358 Ca 0.00 0.59 -0.23 0.00 -1.94 0.00 0.00 57.00 55.42 1jdp n GLN 358 Cb 0.00 -2.32 -0.17 0.00 0.11 0.00 0.00 30.24 27.86 1jdp n GLN 358 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1jdp s VAL 359 N -1.28 0.73 -0.11 5.09 1.01 0.11 -4.78 120.40 121.17 1jdp s VAL 359 Ca 0.65 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.48 1jdp s VAL 359 Cb -0.49 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1jdp s VAL 359 CO 0.55 0.29 -0.20 -0.44 0.00 0.00 0.00 175.10 175.30 1jdp s SER 360 N 1.26 3.45 -0.16 3.32 0.01 -1.26 -0.70 113.70 119.62 1jdp s SER 360 Ca -0.05 -0.46 -0.06 0.00 1.31 0.00 0.00 55.95 56.69 1jdp s SER 360 Cb -0.14 -1.44 -0.04 0.00 0.21 0.00 0.00 66.02 64.61 1jdp s SER 360 CO -0.02 0.17 0.03 -0.63 0.41 0.00 0.00 173.24 173.20 1jdp s ILE 361 N 0.30 4.52 0.97 1.44 -1.09 0.07 -0.59 121.20 126.81 1jdp s ILE 361 Ca -0.15 -0.14 -0.15 0.00 -2.23 0.00 0.00 60.65 57.99 1jdp s ILE 361 Cb -0.17 -3.00 0.18 0.00 -1.58 0.00 0.00 42.46 37.89 1jdp s ILE 361 CO 0.07 0.50 1.21 1.51 -1.23 0.00 0.00 174.94 177.00 1jdp s ASP 362 N 0.12 3.03 0.00 3.58 1.47 0.80 -2.37 116.67 123.31 1jdp s ASP 362 Ca 0.03 0.60 0.05 0.00 1.18 0.00 0.00 52.55 54.40 1jdp s ASP 362 Cb -0.13 -0.88 0.24 0.00 -0.34 0.00 0.00 42.92 41.81 1jdp s ASP 362 CO 0.01 -2.81 0.90 0.00 0.68 0.00 0.00 175.17 173.95 1jdp n ALA 363 N -3.88 1.49 -0.07 2.11 0.00 -1.26 -1.19 120.51 117.71 1jdp n ALA 363 Ca 0.11 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.56 1jdp n ALA 363 Cb 0.60 -1.07 0.08 0.00 0.00 0.00 0.00 19.45 19.06 1jdp n ALA 363 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1jdp n ASN 364 N -1.19 2.45 0.00 0.00 5.15 -1.26 -4.77 115.26 115.65 1jdp n ASN 364 Ca 0.03 -1.94 0.00 0.00 -0.60 0.00 0.00 54.58 52.07 1jdp n ASN 364 Cb 0.03 -0.12 0.00 0.00 -0.53 0.00 0.00 39.78 39.16 1jdp n ASN 364 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jdp n GLY 365 N 0.11 0.56 3.16 8.20 0.00 -0.33 -4.97 105.19 111.92 1jdp n GLY 365 Ca 0.06 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 1jdp n GLY 365 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jdp s ASP 366 N -2.80 2.89 0.25 1.61 -0.00 -1.25 -0.39 116.67 116.98 1jdp s ASP 366 Ca 0.00 -0.54 -0.31 0.00 -0.00 0.00 0.00 52.55 51.70 1jdp s ASP 366 Cb 0.00 -1.33 -0.12 0.00 -0.00 0.00 0.00 42.92 41.47 1jdp s ASP 366 CO 0.00 0.09 1.61 -1.14 -0.00 0.00 0.00 175.17 175.73 1jdp n ARG 367 N 3.90 2.59 -2.38 8.23 0.00 -0.02 -0.14 116.66 128.84 1jdp n ARG 367 Ca -0.20 0.93 -0.40 0.00 -0.00 0.00 0.00 57.85 58.18 1jdp n ARG 367 Cb 0.52 -2.71 -0.04 0.00 0.00 0.00 0.00 32.46 30.23 1jdp n ARG 367 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1jdp s TYR 368 N 0.44 3.44 -0.05 -0.14 1.51 0.24 -4.37 117.35 118.40 1jdp s TYR 368 Ca 0.69 1.60 0.04 0.00 -1.01 0.00 0.00 57.07 58.40 1jdp s TYR 368 Cb -0.54 -3.40 -0.02 0.00 -0.11 0.00 0.00 41.96 37.90 1jdp s TYR 368 CO 0.43 -0.93 -0.17 0.20 -1.11 0.00 0.00 175.55 173.97 1jdp s GLY 369 N -0.68 1.48 -0.10 0.71 0.00 -1.26 -4.78 107.32 102.69 1jdp s GLY 369 Ca 0.46 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 44.17 1jdp s GLY 369 CO 0.44 -0.72 -0.01 0.99 0.00 0.00 0.00 173.10 173.80 1jdp s ASP 370 N -0.56 5.14 0.12 1.64 1.01 -1.26 -1.94 116.67 120.82 1jdp s ASP 370 Ca 0.08 0.09 0.03 0.00 0.71 0.00 0.00 52.55 53.46 1jdp s ASP 370 Cb -0.11 -1.50 -0.04 0.00 1.01 0.00 0.00 42.92 42.27 1jdp s ASP 370 CO 0.01 0.34 -0.09 -0.36 0.21 0.00 0.00 175.17 175.28 1jdp s PHE 371 N -0.65 1.10 0.08 4.23 0.08 -0.19 -1.66 117.98 120.98 1jdp s PHE 371 Ca 0.10 -0.81 0.04 0.00 0.12 0.00 0.00 56.93 56.39 1jdp s PHE 371 Cb -0.12 -0.59 -0.03 0.00 -0.57 0.00 0.00 43.02 41.71 1jdp s PHE 371 CO 0.02 -0.01 -0.12 -1.12 -0.10 0.00 0.00 175.22 173.89 1jdp s SER 372 N -3.05 1.55 -0.18 1.36 0.01 -0.28 -0.12 113.70 113.00 1jdp s SER 372 Ca 0.14 -0.69 -0.02 0.00 1.31 0.00 0.00 55.95 56.68 1jdp s SER 372 Cb 0.03 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.22 1jdp s SER 372 CO -0.02 -0.16 -0.08 -0.69 0.41 0.00 0.00 173.24 172.71 1jdp s VAL 373 N -1.75 3.32 -0.16 3.43 1.01 -0.53 -1.84 120.40 123.87 1jdp s VAL 373 Ca 0.01 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 1jdp s VAL 373 Cb -0.07 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1jdp s VAL 373 CO 0.01 0.47 0.05 -0.63 0.00 0.00 0.00 175.10 175.01 1jdp s ILE 374 N 0.90 4.69 0.08 2.22 1.01 0.45 -0.37 121.20 130.18 1jdp s ILE 374 Ca -0.02 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.57 1jdp s ILE 374 Cb -0.15 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1jdp s ILE 374 CO 0.01 0.50 -0.06 0.00 0.00 0.00 0.00 174.94 175.39 1jdp s ALA 375 N 0.07 0.82 -0.40 9.38 0.00 -0.21 -0.10 121.76 131.32 1jdp s ALA 375 Ca 0.05 -1.27 -0.29 0.00 0.00 0.00 0.00 51.96 50.44 1jdp s ALA 375 Cb -0.12 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1jdp s ALA 375 CO 0.01 -0.26 1.21 1.41 0.00 0.00 0.00 175.76 178.13 1jdp s MET 376 N -3.71 3.80 0.00 0.00 1.75 -1.26 -1.04 119.30 118.83 1jdp s MET 376 Ca 0.09 0.87 0.25 0.00 -1.25 0.00 0.00 55.69 55.65 1jdp s MET 376 Cb 0.05 -3.89 0.43 0.00 2.84 0.00 0.00 34.83 34.26 1jdp s MET 376 CO -0.06 -1.27 1.36 0.25 -0.65 0.00 0.00 175.02 174.65 1jdp n THR 377 N 6.58 0.00 -3.36 10.11 -2.24 0.86 -4.70 114.28 121.53 1jdp n THR 377 Ca 0.13 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 1jdp n THR 377 Cb 0.48 0.80 -0.08 0.00 -2.10 0.00 0.00 70.33 69.43 1jdp n THR 377 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jdp s ASP 378 N -2.46 1.08 0.31 3.42 -1.08 -1.17 -5.00 116.67 111.76 1jdp s ASP 378 Ca 0.22 -0.56 0.12 0.00 -0.52 0.00 0.00 52.55 51.81 1jdp s ASP 378 Cb 0.19 0.78 0.48 0.00 -1.46 0.00 0.00 42.92 42.91 1jdp s ASP 378 CO 0.53 -0.37 1.68 0.58 0.52 0.00 0.00 175.17 178.11 1jdp h VAL 379 N 6.22 1.37 -0.57 1.11 2.07 -1.87 1.07 116.25 125.64 1jdp h VAL 379 Ca -0.11 -1.84 -0.05 0.00 0.82 0.00 0.00 66.70 65.51 1jdp h VAL 379 Cb 1.10 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 1jdp h VAL 379 CO 0.30 0.52 0.15 -0.08 0.02 0.00 0.00 177.57 178.48 1jdp h GLU 380 N 0.00 0.91 0.07 1.57 4.81 -1.96 -3.09 114.58 116.89 1jdp h GLU 380 Ca -0.01 -0.21 -0.27 0.00 -0.13 0.00 0.00 59.36 58.74 1jdp h GLU 380 Cb 0.96 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1jdp h GLU 380 CO 0.07 0.84 -1.32 0.00 -0.73 0.00 0.00 179.01 177.88 1jdp h ALA 381 N 1.03 0.30 0.00 2.92 0.00 -1.95 -3.48 119.26 118.08 1jdp h ALA 381 Ca 0.18 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1jdp h ALA 381 Cb 0.33 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1jdp h ALA 381 CO 0.00 1.17 0.00 0.41 0.00 0.00 0.00 179.25 180.83 1jdp n GLY 382 N 1.53 0.62 3.67 0.00 0.00 0.36 -5.02 105.19 106.35 1jdp n GLY 382 Ca -0.09 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 1jdp n GLY 382 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jdp s THR 383 N -2.00 4.54 -0.13 2.61 2.01 -0.73 -4.38 115.64 117.56 1jdp s THR 383 Ca 0.00 1.84 -0.01 0.00 0.31 0.00 0.00 61.69 63.83 1jdp s THR 383 Cb 0.00 -4.19 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 1jdp s THR 383 CO 0.00 -0.08 -0.09 -1.10 -0.69 0.00 0.00 174.62 172.66 1jdp s GLN 384 N 2.68 3.42 0.17 4.92 -0.21 -1.26 -0.10 119.66 129.28 1jdp s GLN 384 Ca 0.50 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 55.27 1jdp s GLN 384 Cb -0.19 -2.73 -0.04 0.00 1.00 0.00 0.00 33.01 31.04 1jdp s GLN 384 CO 0.15 0.28 0.05 -1.21 -2.12 0.00 0.00 175.29 172.44 1jdp s GLU 385 N 0.22 1.10 0.20 2.91 2.02 -0.21 -4.75 118.70 120.19 1jdp s GLU 385 Ca -0.06 -1.55 -0.30 0.00 0.02 0.00 0.00 54.97 53.09 1jdp s GLU 385 Cb -0.15 -0.02 -0.09 0.00 0.10 0.00 0.00 34.13 33.98 1jdp s GLU 385 CO 0.04 -0.23 1.29 0.08 0.02 0.00 0.00 175.26 176.45 1jdp s VAL 386 N -3.87 3.26 -0.05 2.63 1.01 -1.26 -1.04 120.40 121.08 1jdp s VAL 386 Ca 0.28 1.05 0.07 0.00 0.00 0.00 0.00 61.98 63.38 1jdp s VAL 386 Cb 0.07 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 1jdp s VAL 386 CO 0.06 0.16 0.08 -0.38 0.00 0.00 0.00 175.10 175.02 1jdp n ILE 387 N 2.54 0.29 -3.53 2.22 -0.00 0.50 -4.90 119.36 116.47 1jdp n ILE 387 Ca 0.06 -0.25 -0.10 0.00 -0.00 0.00 0.00 62.75 62.46 1jdp n ILE 387 Cb 0.43 -0.34 -0.02 0.00 -0.00 0.00 0.00 39.64 39.71 1jdp n ILE 387 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1jdp s GLY 388 N -3.47 -0.48 0.16 7.39 0.00 -1.23 -1.27 107.32 108.43 1jdp s GLY 388 Ca -0.03 0.48 0.04 0.00 0.00 0.00 0.00 44.72 45.20 1jdp s GLY 388 CO 0.30 0.16 -0.07 0.99 0.00 0.00 0.00 173.10 174.48 1jdp s ASP 389 N -2.72 1.68 -0.05 1.64 1.01 -0.17 -1.45 116.67 116.61 1jdp s ASP 389 Ca 0.04 -1.07 0.01 0.00 0.71 0.00 0.00 52.55 52.24 1jdp s ASP 389 Cb -0.02 0.02 0.02 0.00 1.01 0.00 0.00 42.92 43.95 1jdp s ASP 389 CO -0.08 -0.40 -0.05 -0.47 0.21 0.00 0.00 175.17 174.38 1jdp s TYR 390 N -3.41 0.78 -0.34 4.23 5.04 0.83 -0.45 117.35 124.03 1jdp s TYR 390 Ca 0.19 -0.22 -0.06 0.00 -2.44 0.00 0.00 57.07 54.55 1jdp s TYR 390 Cb 0.04 -0.69 0.05 0.00 0.35 0.00 0.00 41.96 41.71 1jdp s TYR 390 CO 0.02 -0.20 0.10 -0.06 -1.34 0.00 0.00 175.55 174.07 1jdp s PHE 391 N 0.94 3.28 0.18 4.97 0.40 -0.72 -1.02 117.98 126.02 1jdp s PHE 391 Ca -0.11 -1.57 -0.14 0.00 -0.60 0.00 0.00 56.93 54.51 1jdp s PHE 391 Cb -0.14 -2.35 0.16 0.00 0.51 0.00 0.00 43.02 41.19 1jdp s PHE 391 CO 0.00 -0.77 1.72 0.78 0.70 0.00 0.00 175.22 177.66 1jdp h GLY 392 N 8.18 0.56 0.90 4.36 0.00 -1.71 0.36 103.07 115.71 1jdp h GLY 392 Ca -0.22 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1jdp h GLY 392 CO 0.61 -0.05 0.05 1.70 0.00 0.00 0.00 176.54 178.85 1jdp h LYS 393 N 0.24 0.52 0.00 4.80 3.64 -1.91 -2.58 116.57 121.29 1jdp h LYS 393 Ca 0.23 -0.14 -0.12 0.00 -1.27 0.00 0.00 60.65 59.34 1jdp h LYS 393 Cb 0.28 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1jdp h LYS 393 CO -0.29 0.62 -0.56 0.93 -2.27 0.00 0.00 179.45 177.88 1jdp h GLU 394 N 0.35 0.00 -2.50 1.90 5.08 -1.97 -3.47 114.58 113.97 1jdp h GLU 394 Ca 0.10 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 1jdp h GLU 394 Cb 0.35 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.64 1jdp h GLU 394 CO 0.01 0.56 -0.24 0.41 -1.00 0.00 0.00 179.01 178.75 1jdp n GLY 395 N 0.60 0.34 3.19 -3.84 0.00 0.12 -5.04 105.19 100.57 1jdp n GLY 395 Ca -0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 1jdp n GLY 395 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jdp s ARG 396 N -5.30 2.90 -0.15 1.61 0.52 -1.02 -4.97 118.95 112.54 1jdp s ARG 396 Ca 0.18 -0.83 -0.09 0.00 -0.52 0.00 0.00 55.73 54.47 1jdp s ARG 396 Cb -0.08 -2.22 -0.05 0.00 0.52 0.00 0.00 34.95 33.13 1jdp s ARG 396 CO 0.22 0.14 0.16 0.12 0.02 0.00 0.00 175.30 175.96 1jdp s PHE 397 N 0.44 3.52 -0.09 -0.53 5.36 -1.26 -1.76 117.98 123.66 1jdp s PHE 397 Ca -0.17 0.47 -0.04 0.00 -0.96 0.00 0.00 56.93 56.23 1jdp s PHE 397 Cb -0.17 -2.07 0.04 0.00 -0.34 0.00 0.00 43.02 40.48 1jdp s PHE 397 CO 0.07 0.52 0.20 -1.83 -1.46 0.00 0.00 175.22 172.72 1jdp s GLU 398 N -0.36 0.15 0.58 10.12 -1.05 0.41 -4.99 118.70 123.55 1jdp s GLU 398 Ca 0.13 0.45 -0.16 0.00 -0.15 0.00 0.00 54.97 55.24 1jdp s GLU 398 Cb -0.12 -0.15 -0.04 0.00 -0.44 0.00 0.00 34.13 33.38 1jdp s GLU 398 CO 0.02 -0.16 1.06 -1.64 0.95 0.00 0.00 175.26 175.48 1jdp s MET 399 N 1.21 3.38 0.22 -4.83 -1.94 -1.26 -1.00 119.30 115.09 1jdp s MET 399 Ca -0.09 1.23 -0.14 0.00 -1.71 0.00 0.00 55.69 54.98 1jdp s MET 399 Cb -0.11 -2.04 -0.08 0.00 2.01 0.00 0.00 34.83 34.61 1jdp s MET 399 CO -0.07 -0.76 0.62 1.03 -0.01 0.00 0.00 175.02 175.83 1jdp s ARG 400 N -3.96 3.98 0.00 2.03 0.52 -0.40 -4.89 118.95 116.23 1jdp s ARG 400 Ca 0.64 0.54 0.00 0.00 -0.52 0.00 0.00 55.73 56.39 1jdp s ARG 400 Cb -0.16 -2.73 0.00 0.00 0.52 0.00 0.00 34.95 32.58 1jdp s ARG 400 CO 0.35 0.35 0.05 -2.30 0.02 0.00 0.00 175.30 173.76