#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krp s GLN 2 N 0.00 4.49 0.23 3.17 -0.21 -1.26 -4.99 119.66 121.09 3krp s GLN 2 Ca 0.00 1.07 -0.09 0.00 0.02 0.00 0.00 55.36 56.36 3krp s GLN 2 Cb 0.00 -3.25 0.36 0.00 1.00 0.00 0.00 33.01 31.12 3krp s GLN 2 CO 0.00 0.58 1.66 -1.00 -2.12 0.00 0.00 175.29 174.42 3krp h PRO 3 N 4.33 0.15 0.13 2.91 0.13 -2.06 -2.31 132.00 135.29 3krp h PRO 3 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3krp h PRO 3 Cb 1.21 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3krp h PRO 3 CO 0.65 0.10 -0.27 -0.92 -0.23 0.00 0.00 178.00 177.34 3krp h TYR 4 N 0.15 -0.76 -0.82 1.56 3.20 -2.00 -2.34 116.97 115.96 3krp h TYR 4 Ca 0.36 0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.40 3krp h TYR 4 Cb 0.60 0.31 -0.06 0.00 1.54 0.00 0.00 36.73 39.13 3krp h TYR 4 CO -0.35 -0.32 0.54 -1.49 -1.64 0.00 0.00 178.16 174.91 3krp h TRP 5 N -0.43 0.61 0.00 -3.82 4.06 -1.94 -0.02 115.95 114.41 3krp h TRP 5 Ca -0.01 0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.88 3krp h TRP 5 Cb 0.41 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.37 3krp h TRP 5 CO -0.30 0.22 -0.36 0.00 -3.56 0.00 0.00 178.44 174.45 3krp h ALA 6 N 1.62 1.20 -0.23 1.49 0.00 -1.18 -0.75 119.26 121.41 3krp h ALA 6 Ca 0.41 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3krp h ALA 6 Cb 0.85 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3krp h ALA 6 CO -0.16 0.44 -0.45 0.00 0.00 0.00 0.00 179.25 179.09 3krp h ALA 7 N 1.64 0.36 -0.23 0.00 0.00 -0.46 -0.80 119.26 119.78 3krp h ALA 7 Ca -0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3krp h ALA 7 Cb 0.73 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3krp h ALA 7 CO 0.05 0.50 0.07 0.82 0.00 0.00 0.00 179.25 180.69 3krp h ILE 8 N 0.43 1.19 -0.98 0.00 2.04 -1.16 -2.42 117.51 116.62 3krp h ILE 8 Ca 0.01 -0.61 0.06 0.00 1.00 0.00 0.00 64.86 65.32 3krp h ILE 8 Cb 1.05 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.24 3krp h ILE 8 CO 0.10 0.19 0.64 -0.08 0.00 0.00 0.00 178.15 179.00 3krp h GLU 9 N 0.20 1.14 -0.46 2.37 4.81 -1.08 -1.89 114.58 119.67 3krp h GLU 9 Ca 0.07 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3krp h GLU 9 Cb 0.23 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3krp h GLU 9 CO -0.00 0.75 0.26 0.00 -0.73 0.00 0.00 179.01 179.29 3krp h ALA 10 N 1.46 0.59 -0.16 2.92 0.00 -0.86 -2.17 119.26 121.03 3krp h ALA 10 Ca 0.41 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.29 3krp h ALA 10 Cb 0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3krp h ALA 10 CO -0.15 0.10 -0.17 -0.44 0.00 0.00 0.00 179.25 178.59 3krp h ASP 11 N 0.60 -0.54 -1.00 0.00 3.32 -0.87 0.01 116.42 117.95 3krp h ASP 11 Ca 0.16 0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.40 3krp h ASP 11 Cb 0.04 0.26 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 3krp h ASP 11 CO -0.03 -0.22 0.64 0.40 -1.72 0.00 0.00 179.24 178.32 3krp h ILE 12 N -0.20 1.02 -0.53 0.35 2.04 -1.27 0.56 117.51 119.49 3krp h ILE 12 Ca 0.11 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3krp h ILE 12 Cb 0.36 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 3krp h ILE 12 CO -0.28 0.20 0.17 -0.08 0.00 0.00 0.00 178.15 178.16 3krp h GLU 13 N 1.10 0.82 0.18 2.37 4.81 -0.62 0.20 114.58 123.44 3krp h GLU 13 Ca 0.46 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3krp h GLU 13 Cb 0.30 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3krp h GLU 13 CO -0.21 0.75 -0.09 0.00 -0.73 0.00 0.00 179.01 178.74 3krp h ARG 14 N 0.73 -0.24 -0.83 1.92 3.08 0.88 0.17 114.38 120.09 3krp h ARG 14 Ca 0.17 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.37 3krp h ARG 14 Cb 0.27 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.29 3krp h ARG 14 CO -0.01 -0.07 0.43 -0.92 -1.07 0.00 0.00 179.97 178.34 3krp h TYR 15 N -0.36 0.76 -0.43 3.04 5.03 0.25 0.62 116.97 125.90 3krp h TYR 15 Ca -0.03 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.24 3krp h TYR 15 Cb 0.28 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.32 3krp h TYR 15 CO -0.03 0.22 -0.06 -0.07 -1.32 0.00 0.00 178.16 176.90 3krp h LEU 16 N 0.65 0.70 -0.82 2.82 3.38 -0.25 -0.96 115.31 120.83 3krp h LEU 16 Ca 0.43 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 58.11 3krp h LEU 16 Cb 0.55 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3krp h LEU 16 CO -0.33 0.81 -0.52 0.11 0.09 0.00 0.00 178.44 178.61 3krp h LYS 17 N 0.67 0.00 -0.28 1.13 1.57 0.61 0.15 116.57 120.43 3krp h LYS 17 Ca 0.12 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.71 3krp h LYS 17 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3krp h LYS 17 CO 0.03 0.52 -0.57 -0.22 -0.57 0.00 0.00 179.45 178.64 3krp h LYS 18 N 0.00 0.87 0.04 3.15 3.64 -0.47 -3.29 116.57 120.51 3krp h LYS 18 Ca -0.01 -0.56 -0.23 0.00 -1.27 0.00 0.00 60.65 58.58 3krp h LYS 18 Cb 1.02 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3krp h LYS 18 CO 0.07 1.20 -1.00 0.77 -2.27 0.00 0.00 179.45 178.22 3krp h SER 19 N 0.66 0.35 -3.63 4.20 0.02 -0.89 -3.42 113.55 110.85 3krp h SER 19 Ca 0.01 -0.31 -0.68 0.00 -0.84 0.00 0.00 61.79 59.97 3krp h SER 19 Cb 1.18 -0.11 -0.24 0.00 0.14 0.00 0.00 62.40 63.37 3krp h SER 19 CO 0.13 1.16 -0.58 -0.63 -1.14 0.00 0.00 176.83 175.76 3krp s ILE 20 N -3.04 4.32 -0.19 3.27 1.01 0.48 -5.07 121.20 121.99 3krp s ILE 20 Ca -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3krp s ILE 20 Cb 0.09 -3.23 0.05 0.00 0.01 0.00 0.00 42.46 39.37 3krp s ILE 20 CO 0.85 0.04 -0.06 0.42 0.00 0.00 0.00 174.94 176.19 3krp s THR 21 N 1.56 1.31 0.25 2.92 -4.23 -1.26 -4.64 115.64 111.55 3krp s THR 21 Ca 0.03 -0.84 -0.30 0.00 -1.18 0.00 0.00 61.69 59.40 3krp s THR 21 Cb -0.17 -1.49 -0.14 0.00 1.34 0.00 0.00 72.50 72.04 3krp s THR 21 CO 0.05 0.09 1.23 -0.38 -0.54 0.00 0.00 174.62 175.06 3krp n ILE 22 N 4.79 1.36 -3.61 2.99 5.41 -1.26 -4.94 119.36 124.10 3krp n ILE 22 Ca -0.13 -0.34 -0.00 0.00 1.00 0.00 0.00 62.75 63.28 3krp n ILE 22 Cb 0.47 -1.21 -0.01 0.00 -0.71 0.00 0.00 39.64 38.17 3krp n ILE 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3krp s ARG 23 N -0.91 0.29 0.30 0.38 1.70 -1.26 -5.07 118.95 114.38 3krp s ARG 23 Ca 0.65 -0.14 -0.30 0.00 -0.47 0.00 0.00 55.73 55.47 3krp s ARG 23 Cb -0.70 0.11 -0.11 0.00 -0.57 0.00 0.00 34.95 33.67 3krp s ARG 23 CO 0.55 -0.13 1.60 -2.30 -1.08 0.00 0.00 175.30 173.94 3krp n PRO 24 N -0.34 2.74 -2.71 3.89 -0.02 -1.26 -2.04 135.00 135.27 3krp n PRO 24 Ca -0.05 0.97 -0.43 0.00 -2.02 0.00 0.00 63.50 61.98 3krp n PRO 24 Cb 0.61 -2.76 -0.02 0.00 -0.02 0.00 0.00 33.50 31.30 3krp n PRO 24 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3krp s PRO 25 N -0.61 4.25 0.65 0.52 0.04 -1.26 -5.00 135.00 133.58 3krp s PRO 25 Ca 0.63 1.28 0.41 0.00 0.04 0.00 0.00 61.00 63.36 3krp s PRO 25 Cb -0.49 -3.64 2.27 0.00 0.04 0.00 0.00 34.50 32.68 3krp s PRO 25 CO 0.49 -0.60 2.34 1.49 0.04 0.00 0.00 177.00 180.76 3krp h GLU 26 N 7.49 0.00 0.00 4.56 4.81 -1.83 0.63 114.58 130.25 3krp h GLU 26 Ca -0.20 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 3krp h GLU 26 Cb 1.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 3krp h GLU 26 CO 0.96 0.00 -0.03 0.00 -0.73 0.00 0.00 179.01 179.21 3krp h THR 27 N 0.00 0.22 0.00 0.32 1.03 -1.97 0.69 112.91 113.20 3krp h THR 27 Ca -0.00 -0.24 -0.15 0.00 -0.01 0.00 0.00 66.41 66.01 3krp h THR 27 Cb 0.02 1.19 -0.02 0.00 -1.07 0.00 0.00 68.15 68.27 3krp h THR 27 CO 0.00 0.03 -1.45 0.52 -0.01 0.00 0.00 175.52 174.61 3krp n VAL 28 N -3.33 1.50 0.29 0.00 0.31 0.17 -4.55 118.33 112.73 3krp n VAL 28 Ca -0.02 -0.02 0.16 0.00 -0.01 0.00 0.00 64.34 64.45 3krp n VAL 28 Cb 0.16 -2.20 0.63 0.00 -0.91 0.00 0.00 33.84 31.52 3krp n VAL 28 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3krp h PHE 29 N -1.00 0.00 0.24 3.52 -1.00 -1.43 -2.71 116.94 114.56 3krp h PHE 29 Ca -0.23 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.54 3krp h PHE 29 Cb 1.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 3krp h PHE 29 CO -0.29 0.00 -0.11 0.78 -1.61 0.00 0.00 178.31 177.07 3krp h GLY 30 N 2.22 -0.33 1.07 -1.45 0.00 -1.10 -2.35 103.07 101.12 3krp h GLY 30 Ca 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.36 3krp h GLY 30 CO 0.00 -0.12 -0.01 -2.55 0.00 0.00 0.00 176.54 173.86 3krp h PRO 31 N -0.54 1.04 -0.43 4.80 0.11 -1.75 -2.32 132.00 132.91 3krp h PRO 31 Ca -0.03 -0.34 0.01 0.00 0.11 0.00 0.00 66.00 65.75 3krp h PRO 31 Cb 0.40 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 3krp h PRO 31 CO 0.05 1.03 0.28 1.98 -0.21 0.00 0.00 178.00 181.14 3krp h MET 32 N 0.94 0.53 0.09 1.05 4.05 -1.49 -0.29 114.93 119.81 3krp h MET 32 Ca 0.17 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.55 3krp h MET 32 Cb 0.56 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 3krp h MET 32 CO 0.03 0.35 -0.04 1.25 0.23 0.00 0.00 176.91 178.73 3krp h HIS 33 N 0.54 -0.11 -0.40 1.39 6.17 -1.32 -2.96 115.15 118.46 3krp h HIS 33 Ca 0.16 -0.00 0.06 0.00 0.71 0.00 0.00 60.37 61.30 3krp h HIS 33 Cb -0.01 0.04 -0.05 0.00 2.52 0.00 0.00 27.41 29.90 3krp h HIS 33 CO -0.00 0.21 0.10 1.25 0.71 0.00 0.00 177.93 180.20 3krp h HIS 34 N -0.99 0.17 0.00 5.26 6.17 -1.37 -1.65 115.15 122.74 3krp h HIS 34 Ca -0.01 0.02 -0.06 0.00 0.71 0.00 0.00 60.37 61.03 3krp h HIS 34 Cb 0.37 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.28 3krp h HIS 34 CO 0.08 0.04 -0.28 -0.07 0.71 0.00 0.00 177.93 178.40 3krp h LEU 35 N 0.23 0.00 -0.30 0.26 3.38 -1.20 -1.16 115.31 116.53 3krp h LEU 35 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3krp h LEU 35 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3krp h LEU 35 CO -0.24 0.28 0.14 0.74 0.09 0.00 0.00 178.44 179.45 3krp h THR 36 N 0.00 1.16 -0.14 0.22 2.02 -1.12 -2.71 112.91 112.34 3krp h THR 36 Ca -0.00 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3krp h THR 36 Cb 0.53 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3krp h THR 36 CO 0.04 0.16 0.00 0.49 0.37 0.00 0.00 175.52 176.58 3krp n PHE 37 N -4.77 0.16 0.06 3.16 3.01 -1.12 -3.59 117.46 114.37 3krp n PHE 37 Ca -0.02 -0.08 -0.00 0.00 1.01 0.00 0.00 57.45 58.36 3krp n PHE 37 Cb 0.11 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.52 3krp n PHE 37 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3krp h ALA 38 N 4.24 0.65 -2.62 4.37 0.00 -0.89 -3.46 119.26 121.55 3krp h ALA 38 Ca 0.00 -0.78 -0.50 0.00 0.00 0.00 0.00 54.91 53.63 3krp h ALA 38 Cb 0.58 0.17 0.06 0.00 0.00 0.00 0.00 17.79 18.60 3krp h ALA 38 CO 0.00 0.89 0.45 0.00 0.00 0.00 0.00 179.25 180.60 3krp s ALA 39 N -2.91 2.89 0.69 0.00 0.00 -1.12 -4.98 121.76 116.34 3krp s ALA 39 Ca -0.01 0.85 -0.16 0.00 0.00 0.00 0.00 51.96 52.64 3krp s ALA 39 Cb 0.08 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.87 3krp s ALA 39 CO 0.80 -0.62 1.20 -1.25 0.00 0.00 0.00 175.76 175.89 3krp s PRO 40 N -2.90 2.38 0.32 0.00 0.04 -1.26 -4.97 135.00 128.61 3krp s PRO 40 Ca 0.66 1.76 -0.28 0.00 0.04 0.00 0.00 61.00 63.18 3krp s PRO 40 Cb -0.25 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 3krp s PRO 40 CO 0.30 -1.65 1.13 0.00 0.04 0.00 0.00 177.00 176.83 3krp s ALA 41 N -1.90 3.34 -0.00 8.56 0.00 -1.26 -4.91 121.76 125.58 3krp s ALA 41 Ca 0.75 0.94 0.07 0.00 0.00 0.00 0.00 51.96 53.71 3krp s ALA 41 Cb -0.29 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 3krp s ALA 41 CO 0.42 -0.29 -0.20 -0.08 0.00 0.00 0.00 175.76 175.61 3krp s THR 42 N -1.26 2.61 -1.45 0.00 -1.32 -1.26 -5.00 115.64 107.96 3krp s THR 42 Ca 0.49 -1.05 0.29 0.00 -1.21 0.00 0.00 61.69 60.21 3krp s THR 42 Cb -0.32 -2.02 0.46 0.00 -1.51 0.00 0.00 72.50 69.11 3krp s THR 42 CO 0.41 0.48 1.95 0.00 -2.21 0.00 0.00 174.62 175.25 3krp n ALA 43 N 2.03 2.62 0.18 11.08 0.00 -1.26 -2.90 120.51 132.26 3krp n ALA 43 Ca -0.16 -0.19 0.07 0.00 0.00 0.00 0.00 53.44 53.15 3krp n ALA 43 Cb 0.52 -1.42 0.17 0.00 0.00 0.00 0.00 19.45 18.72 3krp n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3krp h ALA 44 N 3.44 0.83 0.00 0.00 0.00 -1.89 -0.38 119.26 121.27 3krp h ALA 44 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3krp h ALA 44 Cb 0.34 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3krp h ALA 44 CO 0.00 0.39 -0.08 1.03 0.00 0.00 0.00 179.25 180.59 3krp h SER 45 N 0.00 0.00 0.90 0.00 0.87 -1.82 -3.21 113.55 110.29 3krp h SER 45 Ca -0.00 -0.82 -0.03 0.00 -1.23 0.00 0.00 61.79 59.70 3krp h SER 45 Cb 1.14 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 3krp h SER 45 CO 0.04 0.96 -0.17 0.71 -0.53 0.00 0.00 176.83 177.84 3krp h THR 46 N -1.00 0.43 0.00 2.23 1.35 -1.63 -2.28 112.91 112.01 3krp h THR 46 Ca -0.02 -0.94 -0.03 0.00 -0.55 0.00 0.00 66.41 64.88 3krp h THR 46 Cb 0.87 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3krp h THR 46 CO -0.01 0.16 -0.12 0.25 -0.25 0.00 0.00 175.52 175.55 3krp h LEU 47 N 0.00 0.00 -0.07 3.87 5.85 -1.14 -1.49 115.31 122.32 3krp h LEU 47 Ca -0.00 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 3krp h LEU 47 Cb 0.66 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.70 3krp h LEU 47 CO 0.02 0.12 -1.01 0.00 -0.34 0.00 0.00 178.44 177.23 3krp h LEU 49 N 0.31 0.40 0.80 0.00 3.38 -1.49 -2.79 115.31 115.93 3krp h LEU 49 Ca -0.11 -0.59 -0.04 0.00 0.09 0.00 0.00 57.88 57.23 3krp h LEU 49 Cb 1.66 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 42.30 3krp h LEU 49 CO 0.19 0.92 -0.39 0.00 0.09 0.00 0.00 178.44 179.25 3krp h ALA 50 N 0.49 -1.08 -1.18 1.53 0.00 -1.35 -2.82 119.26 114.85 3krp h ALA 50 Ca -0.00 -0.24 0.35 0.00 0.00 0.00 0.00 54.91 55.02 3krp h ALA 50 Cb 0.87 0.42 -0.11 0.00 0.00 0.00 0.00 17.79 18.97 3krp h ALA 50 CO 0.06 -1.00 0.76 0.00 0.00 0.00 0.00 179.25 179.06 3krp h ALA 51 N -1.28 2.50 0.21 0.00 0.00 -1.04 0.24 119.26 119.88 3krp h ALA 51 Ca -0.11 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3krp h ALA 51 Cb 0.83 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3krp h ALA 51 CO 0.18 -1.02 -0.10 0.00 0.00 0.00 0.00 179.25 178.32 3krp h GLU 53 N -0.31 0.63 -1.10 0.00 5.08 -0.32 -2.80 114.58 115.76 3krp h GLU 53 Ca -0.03 -0.04 0.30 0.00 -1.00 0.00 0.00 59.36 58.60 3krp h GLU 53 Cb 0.24 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 3krp h GLU 53 CO 0.05 0.41 0.75 1.25 -1.00 0.00 0.00 179.01 180.47 3krp h LEU 54 N 0.65 0.24 -1.11 1.33 5.85 -1.24 0.21 115.31 121.23 3krp h LEU 54 Ca 0.20 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3krp h LEU 54 Cb -0.01 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3krp h LEU 54 CO -0.08 0.04 -0.14 1.33 -0.34 0.00 0.00 178.44 179.25 3krp n VAL 55 N -4.44 0.00 0.00 1.05 0.24 -1.06 -4.93 118.33 109.19 3krp n VAL 55 Ca 0.26 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3krp n VAL 55 Cb 1.05 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 34.28 3krp n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3krp n GLY 56 N 1.30 2.27 3.02 7.63 0.00 0.73 -4.72 105.19 115.42 3krp n GLY 56 Ca 0.15 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 3krp n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krp n GLY 57 N 0.00 -2.90 3.90 -0.02 0.00 -1.20 -4.78 105.19 100.19 3krp n GLY 57 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 3krp n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3krp s ASP 58 N -1.09 6.46 0.06 1.61 1.47 -1.26 -3.80 116.67 120.12 3krp s ASP 58 Ca 0.37 0.67 -0.27 0.00 1.18 0.00 0.00 52.55 54.51 3krp s ASP 58 Cb 0.08 -2.13 -0.17 0.00 -0.34 0.00 0.00 42.92 40.37 3krp s ASP 58 CO 0.64 -0.13 1.60 0.08 0.68 0.00 0.00 175.17 178.04 3krp h ARG 59 N 1.95 -0.37 -1.45 2.11 0.11 -1.93 -2.98 114.38 111.83 3krp h ARG 59 Ca -0.47 0.03 0.45 0.00 0.10 0.00 0.00 59.98 60.08 3krp h ARG 59 Cb 1.18 0.08 -0.09 0.00 1.11 0.00 0.00 29.97 32.26 3krp h ARG 59 CO 0.67 -0.19 1.00 -1.13 0.10 0.00 0.00 179.97 180.43 3krp n SER 60 N -5.22 0.08 -0.26 0.08 3.41 -1.26 0.14 113.62 110.59 3krp n SER 60 Ca -0.10 1.00 -0.06 0.00 -0.26 0.00 0.00 58.87 59.45 3krp n SER 60 Cb 0.20 -0.49 0.05 0.00 -0.26 0.00 0.00 64.21 63.70 3krp n SER 60 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3krp h GLN 61 N 0.00 1.07 -0.01 4.33 4.20 -1.93 -2.93 115.11 119.83 3krp h GLN 61 Ca 0.78 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 59.29 3krp h GLN 61 Cb 2.85 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 30.46 3krp h GLN 61 CO -0.19 0.88 -0.09 0.00 -0.67 0.00 0.00 178.83 178.76 3krp n ALA 62 N -2.41 2.75 -0.35 3.87 0.00 0.38 -4.28 120.51 120.48 3krp n ALA 62 Ca 0.06 -0.38 0.05 0.00 0.00 0.00 0.00 53.44 53.17 3krp n ALA 62 Cb 0.18 -1.22 0.22 0.00 0.00 0.00 0.00 19.45 18.63 3krp n ALA 62 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3krp h MET 63 N 1.50 1.03 -0.17 0.00 -1.53 -1.30 -0.42 114.93 114.03 3krp h MET 63 Ca 0.00 -0.06 -0.00 0.00 -3.44 0.00 0.00 59.70 56.19 3krp h MET 63 Cb 0.43 -0.23 -0.01 0.00 -0.55 0.00 0.00 31.60 31.24 3krp h MET 63 CO 0.00 0.68 0.09 0.00 0.14 0.00 0.00 176.91 177.82 3krp h ALA 64 N 1.50 0.22 -0.02 0.39 0.00 -1.79 -1.45 119.26 118.12 3krp h ALA 64 Ca 0.44 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 3krp h ALA 64 Cb 0.31 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3krp h ALA 64 CO -0.20 -0.24 -0.00 0.00 0.00 0.00 0.00 179.25 178.82 3krp h ALA 65 N 0.98 0.03 -1.00 0.00 0.00 -1.76 -1.60 119.26 115.92 3krp h ALA 65 Ca 0.06 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.02 3krp h ALA 65 Cb 0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 3krp h ALA 65 CO -0.01 -0.30 0.62 0.00 0.00 0.00 0.00 179.25 179.57 3krp h ALA 66 N 0.68 1.95 -0.34 0.00 0.00 -1.02 0.57 119.26 121.11 3krp h ALA 66 Ca 0.01 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3krp h ALA 66 Cb 0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3krp h ALA 66 CO 0.00 -0.33 -0.21 0.00 0.00 0.00 0.00 179.25 178.71 3krp h ALA 67 N 1.64 0.49 -0.53 0.00 0.00 -0.98 -2.04 119.26 117.84 3krp h ALA 67 Ca 0.57 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3krp h ALA 67 Cb 1.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3krp h ALA 67 CO -0.33 0.44 -0.01 0.00 0.00 0.00 0.00 179.25 179.35 3krp h ALA 68 N 0.77 0.72 -0.69 0.00 0.00 0.34 -1.72 119.26 118.68 3krp h ALA 68 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3krp h ALA 68 Cb 0.76 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3krp h ALA 68 CO 0.06 0.55 0.44 0.82 0.00 0.00 0.00 179.25 181.12 3krp h ILE 69 N 0.83 1.18 -0.27 0.00 2.04 0.09 0.11 117.51 121.49 3krp h ILE 69 Ca 0.15 -0.36 -0.14 0.00 1.00 0.00 0.00 64.86 65.51 3krp h ILE 69 Cb 0.55 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3krp h ILE 69 CO 0.03 0.18 -0.36 -0.74 0.00 0.00 0.00 178.15 177.26 3krp h HIS 70 N 0.94 0.88 -0.57 1.37 2.76 -1.11 -2.71 115.15 116.72 3krp h HIS 70 Ca 0.25 -0.29 -0.02 0.00 -2.20 0.00 0.00 60.37 58.11 3krp h HIS 70 Cb -0.08 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.68 3krp h HIS 70 CO 0.00 1.06 0.26 -0.07 -1.30 0.00 0.00 177.93 177.88 3krp h LEU 71 N 0.46 0.75 -1.06 0.26 3.38 -0.51 0.64 115.31 119.23 3krp h LEU 71 Ca 0.03 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3krp h LEU 71 Cb 0.95 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3krp h LEU 71 CO 0.09 0.68 0.05 0.58 0.09 0.00 0.00 178.44 179.93 3krp h VAL 72 N 0.77 1.22 -0.13 1.22 2.07 -0.86 -0.12 116.25 120.43 3krp h VAL 72 Ca 0.19 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 3krp h VAL 72 Cb 0.14 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3krp h VAL 72 CO -0.02 0.31 -0.10 -0.74 0.02 0.00 0.00 177.57 177.04 3krp h HIS 73 N 0.69 0.36 -0.45 1.57 -0.00 -1.08 -2.57 115.15 113.67 3krp h HIS 73 Ca 0.15 -0.10 0.09 0.00 -0.00 0.00 0.00 60.37 60.50 3krp h HIS 73 Cb 0.35 -0.08 -0.07 0.00 -0.00 0.00 0.00 27.41 27.61 3krp h HIS 73 CO 0.02 0.68 -0.01 0.00 -0.00 0.00 0.00 177.93 178.62 3krp h ALA 74 N 0.62 0.41 -0.34 5.26 0.00 0.79 0.58 119.26 126.58 3krp h ALA 74 Ca 0.03 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.13 3krp h ALA 74 Cb 0.60 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 3krp h ALA 74 CO 0.03 -0.39 0.02 0.00 0.00 0.00 0.00 179.25 178.90 3krp h ALA 75 N 1.40 0.32 -0.64 0.00 0.00 -0.98 -1.12 119.26 118.25 3krp h ALA 75 Ca 0.22 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3krp h ALA 75 Cb 0.33 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3krp h ALA 75 CO -0.38 -0.38 0.26 0.00 0.00 0.00 0.00 179.25 178.75 3krp h ALA 76 N 1.28 1.25 -0.20 0.00 0.00 -0.86 -2.21 119.26 118.52 3krp h ALA 76 Ca 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3krp h ALA 76 Cb 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3krp h ALA 76 CO -0.26 0.55 0.09 -0.92 0.00 0.00 0.00 179.25 178.71 3krp h TYR 77 N 0.92 0.30 -0.96 0.00 3.20 0.08 -1.50 116.97 119.00 3krp h TYR 77 Ca 0.22 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3krp h TYR 77 Cb 0.17 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 3krp h TYR 77 CO 0.01 0.33 0.61 0.28 -1.64 0.00 0.00 178.16 177.75 3krp h VAL 78 N 0.18 1.26 -0.37 1.81 2.07 -1.01 -2.89 116.25 117.30 3krp h VAL 78 Ca 0.07 -0.52 -0.15 0.00 0.82 0.00 0.00 66.70 66.93 3krp h VAL 78 Cb 0.15 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 3krp h VAL 78 CO -0.01 0.26 -0.35 0.45 0.02 0.00 0.00 177.57 177.94 3krp h HIS 79 N 1.32 1.02 0.00 1.57 3.86 -1.17 -2.99 115.15 118.76 3krp h HIS 79 Ca 0.35 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3krp h HIS 79 Cb -0.10 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.15 3krp h HIS 79 CO 0.00 1.08 0.00 1.05 0.86 0.00 0.00 177.93 180.93 3krp h GLU 80 N 0.71 0.00 -0.59 2.45 4.11 -1.07 -1.80 114.58 118.40 3krp h GLU 80 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 3krp h GLU 80 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3krp h GLU 80 CO 0.09 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.89 3krp n HIS 81 N -2.69 1.17 -2.15 2.06 8.25 -1.14 -4.98 115.22 115.74 3krp n HIS 81 Ca 0.01 -0.59 -0.42 0.00 -0.26 0.00 0.00 57.72 56.46 3krp n HIS 81 Cb 0.24 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 3krp n HIS 81 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3krp s LEU 82 N -1.61 4.38 -0.40 2.41 1.43 -0.68 -4.92 118.68 119.29 3krp s LEU 82 Ca 0.46 2.38 -0.28 0.00 -1.03 0.00 0.00 54.13 55.66 3krp s LEU 82 Cb 0.28 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 3krp s LEU 82 CO 0.24 -0.64 1.94 -2.84 0.23 0.00 0.00 176.35 175.28 3krp s PRO 83 N 0.76 2.99 -0.38 1.29 0.02 -1.26 -4.94 135.00 133.47 3krp s PRO 83 Ca 0.63 1.31 -0.15 0.00 0.02 0.00 0.00 61.00 62.80 3krp s PRO 83 Cb -0.38 -4.31 0.00 0.00 0.02 0.00 0.00 34.50 29.84 3krp s PRO 83 CO 0.33 -2.27 0.36 -0.51 -0.33 0.00 0.00 177.00 174.57 3krp s LEU 84 N 8.24 4.71 0.34 -5.54 1.43 -1.26 -4.97 118.68 121.63 3krp s LEU 84 Ca 0.82 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 3krp s LEU 84 Cb -0.21 -2.29 0.63 0.00 0.03 0.00 0.00 46.19 44.35 3krp s LEU 84 CO 0.30 -0.42 1.95 0.71 0.23 0.00 0.00 176.35 179.12 3krp h THR 85 N 5.61 1.17 -0.31 5.49 1.35 -2.00 -3.06 112.91 121.17 3krp h THR 85 Ca -0.28 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3krp h THR 85 Cb 1.13 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3krp h THR 85 CO 0.72 0.20 0.00 -0.90 -0.25 0.00 0.00 175.52 175.30 3krp n ASP 86 N -4.37 2.17 -2.94 5.36 5.68 -1.26 -4.89 116.55 116.30 3krp n ASP 86 Ca 0.04 -2.13 -0.22 0.00 -0.50 0.00 0.00 54.79 51.99 3krp n ASP 86 Cb 0.13 -0.33 0.02 0.00 -1.14 0.00 0.00 41.12 39.80 3krp n ASP 86 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3krp n GLY 87 N 0.80 -0.51 0.48 6.12 0.00 -1.16 -4.89 105.19 106.03 3krp n GLY 87 Ca 0.11 0.10 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 3krp n GLY 87 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3krp h SER 88 N -1.02 -1.04 -3.38 1.61 0.87 -1.90 -3.42 113.55 105.26 3krp h SER 88 Ca -0.50 0.04 -0.55 0.00 -1.23 0.00 0.00 61.79 59.55 3krp h SER 88 Cb 1.35 0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 63.54 3krp h SER 88 CO 0.55 -0.73 -0.05 0.00 -0.53 0.00 0.00 176.83 176.07 3krp s ARG 89 N -6.01 4.02 -0.29 2.24 1.70 -1.26 -4.97 118.95 114.39 3krp s ARG 89 Ca -0.19 0.56 -0.30 0.00 -0.47 0.00 0.00 55.73 55.33 3krp s ARG 89 Cb 0.03 -2.91 -0.07 0.00 -0.57 0.00 0.00 34.95 31.43 3krp s ARG 89 CO 0.61 0.45 2.24 -0.35 -1.08 0.00 0.00 175.30 177.17 3krp n PRO 90 N 0.74 1.63 -1.54 3.89 -0.04 -1.26 -4.76 135.00 133.68 3krp n PRO 90 Ca -0.04 0.41 -0.37 0.00 -0.04 0.00 0.00 63.50 63.46 3krp n PRO 90 Cb 0.52 -3.06 -0.07 0.00 -0.04 0.00 0.00 33.50 30.85 3krp n PRO 90 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3krp n VAL 91 N 7.66 -0.06 -2.66 0.52 0.31 -1.26 -4.87 118.33 117.96 3krp n VAL 91 Ca 0.34 -0.58 -0.29 0.00 -0.01 0.00 0.00 64.34 63.80 3krp n VAL 91 Cb 0.40 -2.14 -0.01 0.00 -0.91 0.00 0.00 33.84 31.18 3krp n VAL 91 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3krp s SER 92 N 11.25 6.37 0.23 4.52 1.04 -1.26 -5.01 113.70 130.84 3krp s SER 92 Ca 1.09 1.05 -0.06 0.00 0.48 0.00 0.00 55.95 58.51 3krp s SER 92 Cb -0.47 -2.30 0.40 0.00 0.10 0.00 0.00 66.02 63.74 3krp s SER 92 CO 0.32 -0.53 1.74 0.50 0.98 0.00 0.00 173.24 176.25 3krp h LYS 93 N 0.60 0.44 0.00 4.02 3.11 -2.04 -3.34 116.57 119.37 3krp h LYS 93 Ca -0.47 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 3krp h LYS 93 Cb 1.20 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.33 3krp h LYS 93 CO 0.63 0.29 0.00 -2.30 -2.81 0.00 0.00 179.45 175.26 3krp n PRO 94 N -4.98 0.00 -4.21 1.90 -0.02 -1.26 -4.74 135.00 121.69 3krp n PRO 94 Ca 0.12 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.25 3krp n PRO 94 Cb 0.36 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.78 3krp n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3krp n ALA 95 N -1.51 -2.18 -0.61 3.55 0.00 -1.26 -4.90 120.51 113.61 3krp n ALA 95 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 53.44 52.68 3krp n ALA 95 Cb 0.00 -1.34 0.25 0.00 0.00 0.00 0.00 19.45 18.36 3krp n ALA 95 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3krp s ILE 96 N -4.09 1.82 0.16 0.00 -4.36 -1.26 -4.95 121.20 108.51 3krp s ILE 96 Ca 0.16 0.00 -0.30 0.00 -0.26 0.00 0.00 60.65 60.25 3krp s ILE 96 Cb -0.09 -2.14 -0.07 0.00 1.25 0.00 0.00 42.46 41.41 3krp s ILE 96 CO 0.97 0.00 1.07 -1.10 0.24 0.00 0.00 174.94 176.12 3krp s GLN 97 N -4.69 4.62 -0.31 0.37 -1.52 -1.26 -5.04 119.66 111.82 3krp s GLN 97 Ca 0.68 1.66 0.03 0.00 -1.95 0.00 0.00 55.36 55.79 3krp s GLN 97 Cb -0.21 -3.30 0.08 0.00 -0.22 0.00 0.00 33.01 29.36 3krp s GLN 97 CO 0.62 0.10 -0.01 -1.01 -0.25 0.00 0.00 175.29 174.74 3krp s HIS 98 N -0.18 3.57 0.13 0.91 3.76 -1.26 -4.99 115.29 117.22 3krp s HIS 98 Ca 0.49 -2.72 -0.14 0.00 -0.15 0.00 0.00 55.06 52.54 3krp s HIS 98 Cb -0.28 -2.53 -0.02 0.00 1.11 0.00 0.00 32.58 30.86 3krp s HIS 98 CO 0.34 -0.92 1.56 -0.22 -0.85 0.00 0.00 174.74 174.64 3krp h LYS 99 N 7.68 0.78 -6.21 1.40 3.64 -2.03 -3.45 116.57 118.39 3krp h LYS 99 Ca -0.10 -0.28 -0.53 0.00 -1.27 0.00 0.00 60.65 58.47 3krp h LYS 99 Cb 1.03 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.72 3krp h LYS 99 CO 0.50 0.88 -0.57 0.71 -2.27 0.00 0.00 179.45 178.69 3krp s TYR 100 N -4.89 2.96 0.91 1.91 2.02 -1.26 -5.12 117.35 113.88 3krp s TYR 100 Ca -0.13 -0.14 -0.12 0.00 -0.37 0.00 0.00 57.07 56.31 3krp s TYR 100 Cb 0.10 -1.34 0.13 0.00 -0.40 0.00 0.00 41.96 40.46 3krp s TYR 100 CO 0.81 0.55 1.11 0.20 -1.57 0.00 0.00 175.55 176.66 3krp s GLY 101 N -3.71 1.59 0.18 0.71 0.00 -1.26 -4.83 107.32 100.01 3krp s GLY 101 Ca 0.32 -0.34 -0.20 0.00 0.00 0.00 0.00 44.72 44.50 3krp s GLY 101 CO 0.23 0.19 1.60 -2.55 0.00 0.00 0.00 173.10 172.57 3krp h PRO 102 N -1.52 -0.16 -0.12 2.90 0.11 -1.99 -2.72 132.00 128.51 3krp h PRO 102 Ca -0.51 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.66 3krp h PRO 102 Cb 1.31 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.40 3krp h PRO 102 CO 0.59 -0.10 -0.23 -2.95 -0.21 0.00 0.00 178.00 175.10 3krp h ASN 103 N -0.16 -0.71 0.10 -2.05 7.08 -1.99 0.20 115.58 118.05 3krp h ASN 103 Ca 0.22 0.11 -0.02 0.00 -3.08 0.00 0.00 56.30 53.54 3krp h ASN 103 Cb 0.52 0.32 -0.00 0.00 -2.08 0.00 0.00 38.32 37.07 3krp h ASN 103 CO -0.60 -0.28 -0.09 0.58 -2.08 0.00 0.00 177.43 174.95 3krp h VAL 104 N -0.30 1.05 0.16 6.14 2.07 -1.91 -0.22 116.25 123.24 3krp h VAL 104 Ca 0.10 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3krp h VAL 104 Cb 0.44 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3krp h VAL 104 CO -0.29 0.09 -0.08 -0.33 0.02 0.00 0.00 177.57 176.98 3krp h GLU 105 N 0.00 -0.20 -0.61 1.57 5.08 -1.02 -0.47 114.58 118.92 3krp h GLU 105 Ca -0.00 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 3krp h GLU 105 Cb 0.17 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.35 3krp h GLU 105 CO 0.01 0.17 -0.37 1.25 -1.00 0.00 0.00 179.01 179.07 3krp h LEU 106 N -0.95 -1.30 -0.14 1.33 5.85 -0.38 -1.96 115.31 117.76 3krp h LEU 106 Ca -0.02 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3krp h LEU 106 Cb 0.47 0.62 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 3krp h LEU 106 CO 0.04 -0.31 0.07 -0.07 -0.34 0.00 0.00 178.44 177.82 3krp h LEU 107 N -0.17 0.19 -1.47 2.25 3.38 -1.09 -3.03 115.31 115.36 3krp h LEU 107 Ca 0.22 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3krp h LEU 107 Cb 0.56 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3krp h LEU 107 CO -0.70 0.27 0.40 0.74 0.09 0.00 0.00 178.44 179.24 3krp h THR 108 N 0.10 1.06 -0.13 0.22 2.02 -0.72 0.99 112.91 116.45 3krp h THR 108 Ca 0.05 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 3krp h THR 108 Cb 0.13 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3krp h THR 108 CO -0.01 0.12 -0.11 1.23 0.37 0.00 0.00 175.52 177.13 3krp h GLY 109 N 0.68 0.21 2.00 2.16 0.00 -1.25 0.63 103.07 107.51 3krp h GLY 109 Ca 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3krp h GLY 109 CO -0.07 0.12 0.00 1.22 0.00 0.00 0.00 176.54 177.81 3krp n ASP 110 N -4.31 0.33 -0.02 0.19 8.00 0.28 -2.83 116.55 118.19 3krp n ASP 110 Ca -0.01 0.54 0.08 0.00 0.71 0.00 0.00 54.79 56.11 3krp n ASP 110 Cb 0.24 -0.63 -0.17 0.00 -0.02 0.00 0.00 41.12 40.55 3krp n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3krp n GLY 111 N 0.98 -1.00 0.20 0.44 0.00 0.13 -4.25 105.19 101.70 3krp n GLY 111 Ca 0.05 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 3krp n GLY 111 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3krp h ILE 112 N 0.00 0.65 0.04 -0.61 1.08 0.18 -3.25 117.51 115.61 3krp h ILE 112 Ca -0.09 -0.66 0.01 0.00 -0.39 0.00 0.00 64.86 63.73 3krp h ILE 112 Cb 1.20 0.97 -0.04 0.00 -3.07 0.00 0.00 36.82 35.88 3krp h ILE 112 CO 0.00 0.12 -0.37 0.58 -0.69 0.00 0.00 178.15 177.80 3krp h VAL 113 N -0.82 0.00 -0.80 1.67 2.07 -1.74 -1.77 116.25 114.87 3krp h VAL 113 Ca -0.04 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.69 3krp h VAL 113 Cb 0.52 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 3krp h VAL 113 CO 0.07 0.00 0.56 1.55 0.02 0.00 0.00 177.57 179.77 3krp h PRO 114 N -0.49 0.15 0.00 1.57 0.13 -1.74 0.47 132.00 132.09 3krp h PRO 114 Ca 0.00 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3krp h PRO 114 Cb 0.51 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 3krp h PRO 114 CO -0.22 0.10 -0.13 0.35 -0.23 0.00 0.00 178.00 177.87 3krp h PHE 115 N 0.16 0.00 -0.67 1.56 3.04 -1.36 -0.29 116.94 119.37 3krp h PHE 115 Ca 0.39 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.27 3krp h PHE 115 Cb 1.31 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.79 3krp h PHE 115 CO -0.00 0.13 0.15 0.78 -2.02 0.00 0.00 178.31 177.34 3krp h GLY 116 N 0.65 1.16 1.94 2.40 0.00 0.25 -1.69 103.07 107.77 3krp h GLY 116 Ca -0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 3krp h GLY 116 CO 0.02 0.68 -0.11 0.74 0.00 0.00 0.00 176.54 177.86 3krp h PHE 117 N 1.02 0.00 -0.18 5.60 0.04 -1.09 -2.95 116.94 119.38 3krp h PHE 117 Ca 0.21 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.87 3krp h PHE 117 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 3krp h PHE 117 CO 0.03 0.05 -0.33 1.49 -0.60 0.00 0.00 178.31 178.95 3krp h GLU 118 N 0.00 0.54 -0.97 1.51 4.81 -0.60 -0.35 114.58 119.51 3krp h GLU 118 Ca -0.00 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 58.90 3krp h GLU 118 Cb 1.04 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.41 3krp h GLU 118 CO 0.01 0.95 0.64 -0.07 -0.73 0.00 0.00 179.01 179.81 3krp h LEU 119 N 0.19 1.11 0.17 1.64 3.38 -1.32 -1.16 115.31 119.33 3krp h LEU 119 Ca 0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3krp h LEU 119 Cb 0.92 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3krp h LEU 119 CO 0.07 0.80 -0.08 -0.07 0.09 0.00 0.00 178.44 179.25 3krp h LEU 120 N 1.31 -0.20 -1.81 1.67 3.38 -1.35 -0.46 115.31 117.85 3krp h LEU 120 Ca 0.36 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.15 3krp h LEU 120 Cb -0.15 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3krp h LEU 120 CO -0.08 0.12 0.20 0.00 0.09 0.00 0.00 178.44 178.77 3krp h ALA 121 N 0.23 1.98 0.00 1.53 0.00 -0.91 -1.29 119.26 120.81 3krp h ALA 121 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3krp h ALA 121 Cb 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3krp h ALA 121 CO 0.04 -0.03 -0.46 0.41 0.00 0.00 0.00 179.25 179.21 3krp n GLY 122 N -1.53 -1.43 0.04 0.00 0.00 -0.45 -3.63 105.19 98.19 3krp n GLY 122 Ca 0.03 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.93 3krp n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3krp n SER 123 N -1.96 0.25 -4.63 1.61 3.41 -0.19 -4.80 113.62 107.32 3krp n SER 123 Ca 0.04 0.54 -0.47 0.00 -0.26 0.00 0.00 58.87 58.73 3krp n SER 123 Cb 0.41 -0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 63.71 3krp n SER 123 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3krp n VAL 124 N -1.76 0.51 -3.58 -3.33 0.31 -1.23 -4.96 118.33 104.29 3krp n VAL 124 Ca 0.05 -0.21 -0.37 0.00 -0.01 0.00 0.00 64.34 63.80 3krp n VAL 124 Cb 0.27 -2.07 -0.08 0.00 -0.91 0.00 0.00 33.84 31.05 3krp n VAL 124 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3krp s ASP 125 N 5.53 6.25 0.49 4.52 2.15 -1.26 -4.99 116.67 129.36 3krp s ASP 125 Ca 0.96 0.28 0.18 0.00 0.43 0.00 0.00 52.55 54.40 3krp s ASP 125 Cb -0.60 -2.15 1.21 0.00 -0.30 0.00 0.00 42.92 41.09 3krp s ASP 125 CO 0.46 0.04 2.04 -0.65 -0.17 0.00 0.00 175.17 176.89 3krp h PRO 126 N 7.29 0.16 -1.04 4.34 0.11 -2.00 -2.25 132.00 138.61 3krp h PRO 126 Ca -0.38 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.56 3krp h PRO 126 Cb 1.16 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.15 3krp h PRO 126 CO 0.70 0.11 0.20 0.00 -0.21 0.00 0.00 178.00 178.80 3krp n ALA 127 N -2.57 3.52 -3.48 -0.75 0.00 -1.26 -4.78 120.51 111.20 3krp n ALA 127 Ca 0.06 -0.89 -0.17 0.00 0.00 0.00 0.00 53.44 52.44 3krp n ALA 127 Cb 0.36 -1.14 -0.16 0.00 0.00 0.00 0.00 19.45 18.51 3krp n ALA 127 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3krp s ARG 128 N -1.01 0.40 -0.13 0.00 1.81 -0.85 -5.06 118.95 114.11 3krp s ARG 128 Ca 0.17 -0.01 -0.20 0.00 -1.72 0.00 0.00 55.73 53.98 3krp s ARG 128 Cb 0.15 -0.50 -0.17 0.00 -0.45 0.00 0.00 34.95 33.97 3krp s ARG 128 CO 0.03 -0.07 0.47 1.15 -0.68 0.00 0.00 175.30 176.21 3krp h THR 129 N 5.94 1.16 0.00 0.02 2.02 -1.86 -3.37 112.91 116.82 3krp h THR 129 Ca -0.38 -1.91 0.00 0.00 0.77 0.00 0.00 66.41 64.89 3krp h THR 129 Cb 1.15 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.79 3krp h THR 129 CO 0.48 0.39 0.00 0.44 0.37 0.00 0.00 175.52 177.21 3krp h ASP 130 N -1.00 0.00 -0.96 4.18 3.32 -1.97 -3.37 116.42 116.63 3krp h ASP 130 Ca -0.03 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.18 3krp h ASP 130 Cb 0.73 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.12 3krp h ASP 130 CO -0.02 0.00 -0.32 0.47 -1.72 0.00 0.00 179.24 177.65 3krp n ASP 131 N -2.58 -0.52 0.07 6.45 9.92 -1.26 -0.06 116.55 128.56 3krp n ASP 131 Ca 0.03 1.66 0.03 0.00 -0.53 0.00 0.00 54.79 55.98 3krp n ASP 131 Cb 0.37 -0.42 0.40 0.00 -0.64 0.00 0.00 41.12 40.82 3krp n ASP 131 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 3krp h PRO 132 N 0.00 0.36 0.00 -0.24 0.13 -1.86 -1.70 132.00 128.69 3krp h PRO 132 Ca 0.38 -0.06 -0.25 0.00 -0.87 0.00 0.00 66.00 65.20 3krp h PRO 132 Cb 0.62 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.70 3krp h PRO 132 CO -0.96 0.38 -1.01 -0.44 -0.23 0.00 0.00 178.00 175.73 3krp h ASP 133 N 0.36 0.76 0.01 1.44 3.32 -0.75 -2.59 116.42 118.96 3krp h ASP 133 Ca 0.08 -0.61 -0.23 0.00 0.02 0.00 0.00 57.03 56.30 3krp h ASP 133 Cb 0.21 -0.23 0.02 0.00 0.22 0.00 0.00 39.33 39.55 3krp h ASP 133 CO 0.00 1.41 -0.89 0.03 -1.72 0.00 0.00 179.24 178.07 3krp h ARG 134 N 0.32 0.59 0.00 3.56 3.08 -1.19 -2.47 114.38 118.28 3krp h ARG 134 Ca -0.11 -0.65 -0.03 0.00 0.07 0.00 0.00 59.98 59.26 3krp h ARG 134 Cb 1.66 0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.89 3krp h ARG 134 CO 0.19 1.25 -0.13 0.82 -1.07 0.00 0.00 179.97 181.04 3krp h ILE 135 N 0.20 0.42 0.21 2.04 2.04 -1.42 0.17 117.51 121.17 3krp h ILE 135 Ca -0.11 -0.68 -0.31 0.00 1.00 0.00 0.00 64.86 64.75 3krp h ILE 135 Cb 1.57 1.48 0.03 0.00 -0.74 0.00 0.00 36.82 39.17 3krp h ILE 135 CO 0.18 0.12 -1.33 0.25 0.00 0.00 0.00 178.15 177.37 3krp h LEU 136 N 0.00 0.81 -0.46 1.44 5.85 -1.44 -2.35 115.31 119.17 3krp h LEU 136 Ca -0.00 -0.90 -0.08 0.00 0.84 0.00 0.00 57.88 57.74 3krp h LEU 136 Cb 0.47 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3krp h LEU 136 CO 0.02 1.65 -0.03 -0.09 -0.34 0.00 0.00 178.44 179.64 3krp h ARG 137 N 0.11 0.84 -0.52 1.25 2.43 -0.93 -2.76 114.38 114.80 3krp h ARG 137 Ca -0.23 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 58.58 3krp h ARG 137 Cb 2.04 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 31.50 3krp h ARG 137 CO 0.25 0.91 0.02 0.28 -1.51 0.00 0.00 179.97 179.92 3krp h VAL 138 N 0.68 1.25 -0.15 0.20 2.07 -0.77 -1.66 116.25 117.87 3krp h VAL 138 Ca 0.13 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 3krp h VAL 138 Cb 0.55 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3krp h VAL 138 CO 0.03 0.37 -0.01 0.40 0.02 0.00 0.00 177.57 178.38 3krp h ILE 139 N 0.81 1.10 -0.03 4.57 2.04 -1.27 -0.57 117.51 124.16 3krp h ILE 139 Ca 0.16 -0.39 -0.16 0.00 1.00 0.00 0.00 64.86 65.46 3krp h ILE 139 Cb 0.46 1.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3krp h ILE 139 CO 0.02 0.13 -0.62 0.40 0.00 0.00 0.00 178.15 178.08 3krp h ILE 140 N 0.21 1.39 -0.36 -0.67 2.04 -1.10 -1.57 117.51 117.44 3krp h ILE 140 Ca 0.05 -2.02 0.02 0.00 1.00 0.00 0.00 64.86 63.91 3krp h ILE 140 Cb 0.16 2.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 3krp h ILE 140 CO 0.00 0.60 0.21 -0.33 0.00 0.00 0.00 178.15 178.63 3krp h GLU 141 N 0.02 0.42 0.53 2.37 4.39 -0.81 0.42 114.58 121.92 3krp h GLU 141 Ca -0.07 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 3krp h GLU 141 Cb 1.30 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.86 3krp h GLU 141 CO 0.12 0.28 -0.25 0.82 -1.16 0.00 0.00 179.01 178.82 3krp h ILE 142 N 0.43 0.42 -0.96 3.13 2.04 -1.15 0.65 117.51 122.07 3krp h ILE 142 Ca 0.14 -0.27 0.12 0.00 1.00 0.00 0.00 64.86 65.85 3krp h ILE 142 Cb 0.00 0.52 -0.09 0.00 -0.74 0.00 0.00 36.82 36.52 3krp h ILE 142 CO -0.07 0.04 0.58 0.77 0.00 0.00 0.00 178.15 179.48 3krp h SER 143 N -0.90 0.83 -0.15 1.72 4.64 -1.22 0.85 113.55 119.33 3krp h SER 143 Ca -0.07 0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 3krp h SER 143 Cb 0.61 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3krp h SER 143 CO 0.12 0.43 -0.19 0.03 -0.87 0.00 0.00 176.83 176.35 3krp h ARG 144 N 0.91 0.40 -0.47 4.77 3.08 -0.78 0.38 114.38 122.66 3krp h ARG 144 Ca 0.48 -0.23 0.06 0.00 0.07 0.00 0.00 59.98 60.36 3krp h ARG 144 Cb 0.51 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 3krp h ARG 144 CO -0.28 0.80 0.19 0.00 -1.07 0.00 0.00 179.97 179.61 3krp h ALA 145 N 0.59 0.58 0.00 0.04 0.00 0.14 0.23 119.26 120.85 3krp h ALA 145 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3krp h ALA 145 Cb 0.75 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3krp h ALA 145 CO 0.05 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.51 3krp n GLY 146 N -1.25 -1.14 1.04 0.00 0.00 0.29 -1.13 105.19 102.99 3krp n GLY 146 Ca 0.04 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 3krp n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krp n GLY 147 N 1.11 -3.05 0.01 -0.02 0.00 0.13 -4.48 105.19 98.90 3krp n GLY 147 Ca 0.18 -1.38 0.12 0.00 0.00 0.00 0.00 46.02 44.95 3krp n GLY 147 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3krp n PRO 148 N -2.79 0.03 -0.13 1.61 -0.04 -1.26 -2.37 135.00 130.04 3krp n PRO 148 Ca 0.04 0.08 0.04 0.00 -0.04 0.00 0.00 63.50 63.63 3krp n PRO 148 Cb 0.18 -1.54 0.12 0.00 -0.04 0.00 0.00 33.50 32.22 3krp n PRO 148 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3krp n GLU 149 N -1.58 2.73 0.00 0.54 1.02 -1.26 -3.69 120.64 118.39 3krp n GLU 149 Ca 0.06 -1.88 0.00 0.00 -0.02 0.00 0.00 57.16 55.32 3krp n GLU 149 Cb 0.31 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 3krp n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3krp n GLY 150 N 0.32 2.45 0.37 0.62 0.00 -1.00 -4.82 105.19 103.14 3krp n GLY 150 Ca 0.09 -0.23 0.35 0.00 0.00 0.00 0.00 46.02 46.23 3krp n GLY 150 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3krp h MET 151 N 0.00 0.01 -0.12 1.61 1.85 -1.16 0.26 114.93 117.38 3krp h MET 151 Ca 0.00 -0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 59.01 3krp h MET 151 Cb 0.00 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.01 3krp h MET 151 CO 0.00 0.01 -0.29 0.82 -0.40 0.00 0.00 176.91 177.05 3krp h ILE 152 N 0.01 1.25 -0.32 1.77 2.04 -1.73 -1.58 117.51 118.96 3krp h ILE 152 Ca 0.86 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 3krp h ILE 152 Cb 2.43 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.98 3krp h ILE 152 CO -0.66 0.36 -0.02 0.28 0.00 0.00 0.00 178.15 178.11 3krp h SER 153 N 0.20 0.56 -0.59 1.72 0.02 -0.56 -0.56 113.55 114.33 3krp h SER 153 Ca 0.03 -0.32 0.03 0.00 -0.84 0.00 0.00 61.79 60.69 3krp h SER 153 Cb 0.62 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 3krp h SER 153 CO 0.04 0.75 0.35 1.23 -1.14 0.00 0.00 176.83 178.06 3krp h GLY 154 N 0.36 0.84 0.94 -3.77 0.00 -1.40 -0.33 103.07 99.72 3krp h GLY 154 Ca 0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 3krp h GLY 154 CO 0.02 0.21 0.06 1.41 0.00 0.00 0.00 176.54 178.24 3krp h LEU 155 N 0.69 0.66 0.85 3.11 3.38 -1.19 -1.20 115.31 121.60 3krp h LEU 155 Ca 0.24 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3krp h LEU 155 Cb 0.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3krp h LEU 155 CO -0.11 0.75 -0.49 -0.74 0.09 0.00 0.00 178.44 177.94 3krp h HIS 156 N 0.54 -1.30 -0.03 1.13 2.76 -0.61 -2.96 115.15 114.67 3krp h HIS 156 Ca 0.12 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.28 3krp h HIS 156 Cb 0.38 0.46 -0.00 0.00 1.55 0.00 0.00 27.41 29.79 3krp h HIS 156 CO 0.03 -0.75 0.01 0.00 -1.30 0.00 0.00 177.93 175.92 3krp h ARG 157 N -1.25 0.04 -0.88 5.26 2.47 -1.10 -2.73 114.38 116.18 3krp h ARG 157 Ca -0.12 -0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.67 3krp h ARG 157 Cb 0.99 -0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 29.24 3krp h ARG 157 CO 0.14 0.03 0.58 1.49 0.56 0.00 0.00 179.97 182.76 3krp h GLU 158 N 0.04 0.95 -0.44 0.04 4.81 -1.04 0.16 114.58 119.10 3krp h GLU 158 Ca 0.01 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 3krp h GLU 158 Cb 0.01 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3krp h GLU 158 CO -0.00 0.63 0.30 0.93 -0.73 0.00 0.00 179.01 180.14 3krp h GLU 159 N 0.98 0.23 0.00 1.92 5.08 -1.47 -0.49 114.58 120.83 3krp h GLU 159 Ca 0.38 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3krp h GLU 159 Cb 0.23 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3krp h GLU 159 CO -0.15 0.15 0.00 0.39 -1.00 0.00 0.00 179.01 178.41 3krp n GLU 160 N -4.46 0.06 -2.85 2.33 1.02 0.04 -4.63 120.64 112.15 3krp n GLU 160 Ca 0.06 0.28 -0.39 0.00 -0.02 0.00 0.00 57.16 57.10 3krp n GLU 160 Cb 0.34 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.20 3krp n GLU 160 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3krp s ILE 161 N -2.73 4.22 -0.34 -3.67 1.01 -0.20 -5.04 121.20 114.45 3krp s ILE 161 Ca 0.05 1.88 0.01 0.00 0.00 0.00 0.00 60.65 62.59 3krp s ILE 161 Cb 0.04 -4.19 0.11 0.00 0.01 0.00 0.00 42.46 38.43 3krp s ILE 161 CO 0.11 0.44 0.11 -0.69 0.00 0.00 0.00 174.94 174.91 3krp s VAL 162 N -1.25 1.29 0.00 2.92 1.01 -1.26 -5.04 120.40 118.07 3krp s VAL 162 Ca 0.41 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.56 3krp s VAL 162 Cb -0.23 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.19 3krp s VAL 162 CO 0.28 -0.70 0.00 -0.90 0.00 0.00 0.00 175.10 173.78 3krp n ASP 163 N 4.47 0.00 -2.41 3.32 5.75 -1.26 -1.65 116.55 124.78 3krp n ASP 163 Ca 0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 54.79 54.53 3krp n ASP 163 Cb 0.41 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.47 3krp n ASP 163 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3krp n GLY 164 N 0.00 4.47 2.48 6.12 0.00 -1.26 -4.23 105.19 112.77 3krp n GLY 164 Ca 0.00 -1.81 -0.02 0.00 0.00 0.00 0.00 46.02 44.19 3krp n GLY 164 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3krp n ASN 165 N 0.57 1.90 -3.83 1.61 3.02 -0.66 -5.05 115.26 112.82 3krp n ASN 165 Ca 0.46 -2.28 -0.15 0.00 -0.03 0.00 0.00 54.58 52.58 3krp n ASN 165 Cb 0.54 -0.44 -0.15 0.00 -0.61 0.00 0.00 39.78 39.11 3krp n ASN 165 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3krp s THR 166 N -3.31 0.11 0.97 3.41 2.01 -1.26 -4.80 115.64 112.77 3krp s THR 166 Ca 0.31 0.06 -0.13 0.00 0.31 0.00 0.00 61.69 62.25 3krp s THR 166 Cb 0.34 -0.18 0.08 0.00 0.01 0.00 0.00 72.50 72.76 3krp s THR 166 CO -0.05 0.10 0.57 -1.54 -0.69 0.00 0.00 174.62 173.00 3krp n SER 167 N 3.78 -1.54 0.01 3.53 3.41 -1.26 -4.85 113.62 116.70 3krp n SER 167 Ca -0.22 0.28 -0.11 0.00 -0.26 0.00 0.00 58.87 58.55 3krp n SER 167 Cb 0.53 -1.25 0.02 0.00 -0.26 0.00 0.00 64.21 63.25 3krp n SER 167 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3krp h LEU 168 N -1.75 0.67 0.05 1.04 3.38 -1.99 -2.72 115.31 113.98 3krp h LEU 168 Ca -0.45 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.14 3krp h LEU 168 Cb 1.29 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 3krp h LEU 168 CO 0.37 1.14 -0.20 0.44 0.09 0.00 0.00 178.44 180.28 3krp h ASP 169 N 0.42 -0.58 -0.08 -0.43 3.32 -1.98 0.53 116.42 117.62 3krp h ASP 169 Ca -0.01 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.12 3krp h ASP 169 Cb 1.22 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 3krp h ASP 169 CO 0.12 -0.28 0.02 0.15 -1.72 0.00 0.00 179.24 177.54 3krp h PHE 170 N -0.35 0.04 -0.98 4.55 3.57 -1.92 -0.20 116.94 121.65 3krp h PHE 170 Ca 0.04 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.60 3krp h PHE 170 Cb 0.40 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 3krp h PHE 170 CO -0.22 0.02 0.63 0.82 -2.23 0.00 0.00 178.31 177.33 3krp h ILE 171 N 0.06 1.12 -0.27 1.41 2.04 -1.23 -0.70 117.51 119.94 3krp h ILE 171 Ca 0.03 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 3krp h ILE 171 Cb 0.02 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 35.92 3krp h ILE 171 CO -0.04 0.22 -0.07 -0.08 0.00 0.00 0.00 178.15 178.17 3krp h GLU 172 N 1.18 0.44 -0.27 2.37 4.81 0.88 -1.73 114.58 122.26 3krp h GLU 172 Ca 0.41 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 3krp h GLU 172 Cb 0.10 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3krp h GLU 172 CO -0.15 0.52 -0.00 -0.92 -0.73 0.00 0.00 179.01 177.73 3krp h TYR 173 N 0.41 0.53 -0.52 0.92 3.20 0.36 -1.16 116.97 120.71 3krp h TYR 173 Ca 0.08 -0.09 0.06 0.00 3.14 0.00 0.00 58.73 61.92 3krp h TYR 173 Cb 0.39 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 3krp h TYR 173 CO 0.01 0.64 0.23 0.28 -1.64 0.00 0.00 178.16 177.68 3krp h VAL 174 N 0.26 0.89 -0.37 1.81 2.07 -0.73 -0.62 116.25 119.57 3krp h VAL 174 Ca 0.08 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 3krp h VAL 174 Cb 0.43 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3krp h VAL 174 CO 0.01 0.08 -0.08 0.00 0.02 0.00 0.00 177.57 177.60 3krp h LYS 176 N 0.58 0.93 0.00 0.00 3.64 0.09 0.84 116.57 122.65 3krp h LYS 176 Ca 0.11 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3krp h LYS 176 Cb 0.49 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3krp h LYS 176 CO 0.03 0.74 -0.05 0.87 -2.27 0.00 0.00 179.45 178.77 3krp h LYS 177 N 0.92 0.00 -0.52 1.90 1.79 -0.63 0.26 116.57 120.29 3krp h LYS 177 Ca 0.22 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.58 3krp h LYS 177 Cb 0.15 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 3krp h LYS 177 CO -0.02 0.94 -0.11 -0.22 -1.08 0.00 0.00 179.45 178.96 3krp h LYS 178 N -1.00 0.98 0.00 3.15 3.64 -0.16 -3.26 116.57 119.93 3krp h LYS 178 Ca -0.01 -0.37 -0.19 0.00 -1.27 0.00 0.00 60.65 58.81 3krp h LYS 178 Cb 0.95 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 3krp h LYS 178 CO -0.01 1.04 -1.63 0.66 -2.27 0.00 0.00 179.45 177.24 3krp n TYR 179 N -4.19 0.00 -0.05 1.91 4.02 0.28 -4.62 117.16 114.51 3krp n TYR 179 Ca 0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.82 3krp n TYR 179 Cb 0.40 -0.40 -0.01 0.00 -0.02 0.00 0.00 39.34 39.30 3krp n TYR 179 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3krp h GLY 180 N -0.40 0.06 0.07 2.72 0.00 -0.54 -0.83 103.07 104.15 3krp h GLY 180 Ca -0.29 0.17 0.17 0.00 0.00 0.00 0.00 47.33 47.38 3krp h GLY 180 CO -0.17 -0.15 0.39 0.83 0.00 0.00 0.00 176.54 177.44 3krp h GLU 181 N -0.11 0.50 -0.02 4.80 4.39 -0.63 0.29 114.58 123.80 3krp h GLU 181 Ca 0.13 -0.03 -0.26 0.00 0.34 0.00 0.00 59.36 59.55 3krp h GLU 181 Cb 0.31 -0.11 0.02 0.00 -0.10 0.00 0.00 28.75 28.86 3krp h GLU 181 CO -0.31 0.33 -1.00 0.52 -1.16 0.00 0.00 179.01 177.39 3krp h MET 182 N 0.52 0.68 -0.22 2.33 2.86 -1.67 -2.75 114.93 116.68 3krp h MET 182 Ca 0.48 -0.71 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 3krp h MET 182 Cb 0.78 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 3krp h MET 182 CO -0.42 1.30 0.11 0.45 1.06 0.00 0.00 176.91 179.40 3krp h HIS 183 N 0.40 0.31 -0.74 -0.22 3.86 -0.45 -1.37 115.15 116.94 3krp h HIS 183 Ca -0.11 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.17 3krp h HIS 183 Cb 1.65 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 29.97 3krp h HIS 183 CO 0.10 0.30 0.49 0.00 0.86 0.00 0.00 177.93 179.67 3krp h ALA 184 N 0.98 1.80 -0.65 2.45 0.00 -0.52 0.15 119.26 123.48 3krp h ALA 184 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3krp h ALA 184 Cb 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3krp h ALA 184 CO -0.01 0.05 0.15 0.00 0.00 0.00 0.00 179.25 179.44 3krp h GLY 186 N 0.97 0.00 1.26 0.00 0.00 0.07 0.12 103.07 105.49 3krp h GLY 186 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.26 3krp h GLY 186 CO 0.00 0.00 -1.10 0.00 0.00 0.00 0.00 176.54 175.44 3krp h ALA 187 N 1.58 0.11 0.71 3.60 0.00 -1.21 -2.31 119.26 121.74 3krp h ALA 187 Ca -0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 3krp h ALA 187 Cb 0.77 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.63 3krp h ALA 187 CO 0.05 0.71 -0.34 0.00 0.00 0.00 0.00 179.25 179.67 3krp h ALA 188 N 0.41 -1.05 -0.70 0.00 0.00 -1.16 -0.12 119.26 116.64 3krp h ALA 188 Ca -0.14 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 54.70 3krp h ALA 188 Cb 1.76 0.37 -0.13 0.00 0.00 0.00 0.00 17.79 19.79 3krp h ALA 188 CO 0.21 -0.98 -0.19 0.00 0.00 0.00 0.00 179.25 178.29 3krp h GLY 190 N -0.01 -0.00 0.10 0.00 0.00 -1.39 0.13 103.07 101.91 3krp h GLY 190 Ca 0.33 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.74 3krp h GLY 190 CO -0.73 -0.08 -0.19 0.00 0.00 0.00 0.00 176.54 175.55 3krp h ALA 191 N 0.98 -0.79 -1.00 3.60 0.00 0.13 0.27 119.26 122.46 3krp h ALA 191 Ca 0.05 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.04 3krp h ALA 191 Cb 0.16 0.53 -0.14 0.00 0.00 0.00 0.00 17.79 18.34 3krp h ALA 191 CO -0.13 -0.82 -0.47 -0.89 0.00 0.00 0.00 179.25 176.94 3krp n ILE 192 N -3.48 -0.59 -0.29 0.00 5.41 0.18 0.08 119.36 120.67 3krp n ILE 192 Ca -0.04 2.36 0.04 0.00 1.00 0.00 0.00 62.75 66.12 3krp n ILE 192 Cb 0.16 -3.04 0.18 0.00 -0.71 0.00 0.00 39.64 36.23 3krp n ILE 192 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3krp h LEU 193 N 0.00 0.59 0.00 1.39 3.38 -0.47 0.22 115.31 120.43 3krp h LEU 193 Ca 0.27 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3krp h LEU 193 Cb 0.52 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3krp h LEU 193 CO -0.97 0.31 0.00 0.61 0.09 0.00 0.00 178.44 178.49 3krp n GLY 194 N -1.32 -0.67 1.38 0.83 0.00 0.11 -4.81 105.19 100.71 3krp n GLY 194 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3krp n GLY 194 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krp n GLY 195 N -0.50 0.70 2.86 -0.02 0.00 0.79 -3.25 105.19 105.77 3krp n GLY 195 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 3krp n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krp n ALA 196 N -0.08 -2.41 -2.62 4.61 0.00 -1.04 -5.00 120.51 113.97 3krp n ALA 196 Ca 0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 53.44 52.45 3krp n ALA 196 Cb 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 19.45 19.23 3krp n ALA 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3krp s ALA 197 N -2.05 1.91 0.00 0.00 0.00 -1.26 -4.87 121.76 115.50 3krp s ALA 197 Ca 0.31 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.32 3krp s ALA 197 Cb -0.05 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.51 3krp s ALA 197 CO 0.26 0.41 0.00 0.39 0.00 0.00 0.00 175.76 176.81 3krp n GLU 198 N 2.81 0.00 -0.30 0.00 -0.58 -1.26 0.17 120.64 121.49 3krp n GLU 198 Ca -0.17 0.00 0.25 0.00 -0.42 0.00 0.00 57.16 56.83 3krp n GLU 198 Cb 0.52 0.00 0.47 0.00 -0.57 0.00 0.00 31.44 31.87 3krp n GLU 198 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 3krp n GLU 199 N -0.41 -0.06 0.08 3.49 0.28 -1.26 0.34 120.64 123.10 3krp n GLU 199 Ca 0.00 1.28 -0.12 0.00 -0.16 0.00 0.00 57.16 58.16 3krp n GLU 199 Cb 0.00 -2.24 -0.08 0.00 1.43 0.00 0.00 31.44 30.55 3krp n GLU 199 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3krp h GLU 200 N 0.00 -0.25 -0.18 3.44 5.08 0.14 -2.88 114.58 119.92 3krp h GLU 200 Ca 0.72 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 59.12 3krp h GLU 200 Cb 1.83 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 31.10 3krp h GLU 200 CO -0.74 0.14 -0.26 0.82 -1.00 0.00 0.00 179.01 177.97 3krp h ILE 201 N -0.77 0.00 -0.99 3.13 2.04 0.32 0.40 117.51 121.64 3krp h ILE 201 Ca -0.03 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.18 3krp h ILE 201 Cb 0.51 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.41 3krp h ILE 201 CO 0.04 0.00 0.29 1.56 0.00 0.00 0.00 178.15 180.04 3krp h GLN 202 N -0.20 0.02 0.50 2.37 1.08 -0.91 0.38 115.11 118.35 3krp h GLN 202 Ca 0.03 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 3krp h GLN 202 Cb 0.29 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 3krp h GLN 202 CO -0.28 0.01 -0.24 0.87 -0.95 0.00 0.00 178.83 178.25 3krp h LYS 203 N 0.02 -0.64 -0.94 1.46 1.79 -0.86 -1.60 116.57 115.79 3krp h LYS 203 Ca 0.72 0.04 0.27 0.00 -2.18 0.00 0.00 60.65 59.51 3krp h LYS 203 Cb 1.72 0.15 -0.14 0.00 -1.58 0.00 0.00 32.23 32.37 3krp h LYS 203 CO -0.84 -0.43 0.41 -0.07 -1.08 0.00 0.00 179.45 177.44 3krp h LEU 204 N -0.95 0.28 0.49 2.94 3.38 0.57 0.28 115.31 122.30 3krp h LEU 204 Ca -0.07 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3krp h LEU 204 Cb 0.51 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3krp h LEU 204 CO 0.11 -0.13 -0.51 -0.09 0.09 0.00 0.00 178.44 177.92 3krp h ARG 205 N 0.29 -0.97 -0.95 1.13 2.43 -0.23 0.15 114.38 116.22 3krp h ARG 205 Ca 0.64 0.07 0.14 0.00 -0.81 0.00 0.00 59.98 60.01 3krp h ARG 205 Cb 1.36 0.22 -0.08 0.00 -0.42 0.00 0.00 29.97 31.05 3krp h ARG 205 CO -0.62 -0.64 0.61 -0.91 -1.51 0.00 0.00 179.97 176.89 3krp h ASN 206 N -1.00 0.79 0.74 -3.80 4.21 0.34 0.09 115.58 116.95 3krp h ASN 206 Ca -0.06 0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.46 3krp h ASN 206 Cb 0.87 -0.10 0.01 0.00 -1.12 0.00 0.00 38.32 37.97 3krp h ASN 206 CO -0.07 0.39 -0.37 0.15 -1.29 0.00 0.00 177.43 176.24 3krp h PHE 207 N 0.83 -0.97 -0.43 1.19 3.57 0.08 -1.75 116.94 119.47 3krp h PHE 207 Ca 0.49 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 62.05 3krp h PHE 207 Cb 0.65 0.32 -0.09 0.00 2.79 0.00 0.00 35.95 39.62 3krp h PHE 207 CO -0.00 -0.59 -0.15 0.78 -2.23 0.00 0.00 178.31 176.11 3krp h GLY 208 N -1.02 0.22 -0.28 2.40 0.00 0.25 0.30 103.07 104.95 3krp h GLY 208 Ca -0.10 0.20 0.12 0.00 0.00 0.00 0.00 47.33 47.55 3krp h GLY 208 CO 0.16 -0.18 -0.19 -2.00 0.00 0.00 0.00 176.54 174.32 3krp h LEU 209 N -0.06 -0.69 -0.01 3.11 5.85 -0.80 1.11 115.31 123.82 3krp h LEU 209 Ca 0.21 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 59.12 3krp h LEU 209 Cb 0.38 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 3krp h LEU 209 CO -0.47 -0.23 -0.00 1.88 -0.34 0.00 0.00 178.44 179.28 3krp h TYR 210 N -0.04 0.03 -0.77 1.25 0.99 -0.33 -1.29 116.97 116.81 3krp h TYR 210 Ca 0.29 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 61.03 3krp h TYR 210 Cb 0.48 -0.01 -0.04 0.00 1.00 0.00 0.00 36.73 38.16 3krp h TYR 210 CO -0.53 0.38 0.50 0.37 -0.00 0.00 0.00 178.16 178.87 3krp h GLN 211 N -0.33 0.97 -0.47 4.88 -0.00 0.26 0.11 115.11 120.53 3krp h GLN 211 Ca 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.59 3krp h GLN 211 Cb 0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 27.48 27.61 3krp h GLN 211 CO 0.00 0.64 0.27 0.78 0.00 0.00 0.00 178.83 180.53 3krp h GLY 212 N 1.00 0.69 0.95 2.39 0.00 0.13 0.63 103.07 108.86 3krp h GLY 212 Ca 0.30 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3krp h GLY 212 CO -0.09 0.29 -0.02 -0.84 0.00 0.00 0.00 176.54 175.88 3krp h THR 213 N 0.62 1.26 -0.72 4.70 2.02 -0.62 -0.48 112.91 119.70 3krp h THR 213 Ca 0.17 -1.04 0.04 0.00 0.77 0.00 0.00 66.41 66.34 3krp h THR 213 Cb 0.02 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 3krp h THR 213 CO -0.03 0.35 0.44 0.25 0.37 0.00 0.00 175.52 176.90 3krp h LEU 214 N 0.52 0.71 -0.73 2.58 7.12 -0.47 -0.44 115.31 124.60 3krp h LEU 214 Ca 0.11 0.01 -0.04 0.00 0.13 0.00 0.00 57.88 58.09 3krp h LEU 214 Cb 0.50 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 40.46 3krp h LEU 214 CO 0.02 0.48 0.32 -0.09 -0.13 0.00 0.00 178.44 179.04 3krp h ARG 215 N 0.85 1.08 0.17 1.25 9.65 -0.66 -1.71 114.38 125.02 3krp h ARG 215 Ca 0.30 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 3krp h ARG 215 Cb 0.07 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.47 3krp h ARG 215 CO -0.13 0.87 -0.09 0.78 2.80 0.00 0.00 179.97 184.20 3krp h GLY 216 N 1.04 -0.25 0.82 2.80 0.00 0.04 -2.55 103.07 104.97 3krp h GLY 216 Ca 0.25 0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.76 3krp h GLY 216 CO -0.02 -0.09 0.54 -0.33 0.00 0.00 0.00 176.54 176.63 3krp h MET 217 N -0.24 0.78 0.00 4.80 2.86 -0.96 -0.40 114.93 121.77 3krp h MET 217 Ca -0.02 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3krp h MET 217 Cb 0.18 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 3krp h MET 217 CO 0.04 0.51 -0.08 0.52 1.06 0.00 0.00 176.91 178.96 3krp h MET 218 N 0.80 0.00 -0.01 1.72 2.07 -0.91 -0.24 114.93 118.37 3krp h MET 218 Ca 0.38 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.01 3krp h MET 218 Cb 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.13 3krp h MET 218 CO -0.15 0.08 -0.57 0.39 1.07 0.00 0.00 176.91 177.73 3krp n GLU 219 N -4.31 0.88 -0.40 1.72 1.02 -0.52 -3.63 120.64 115.40 3krp n GLU 219 Ca -0.03 -0.71 0.11 0.00 -0.02 0.00 0.00 57.16 56.51 3krp n GLU 219 Cb 0.16 -1.49 0.32 0.00 -0.02 0.00 0.00 31.44 30.42 3krp n GLU 219 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3krp n MET 220 N -0.44 2.89 -0.07 3.49 2.81 -0.25 -4.25 117.12 121.29 3krp n MET 220 Ca 0.08 -2.68 -0.08 0.00 -1.81 0.00 0.00 57.70 53.22 3krp n MET 220 Cb 0.42 -1.60 -0.04 0.00 -0.71 0.00 0.00 33.22 31.29 3krp n MET 220 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3krp h LYS 221 N 4.17 0.00 -0.58 0.03 1.63 -1.21 -3.35 116.57 117.26 3krp h LYS 221 Ca 0.00 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 59.93 3krp h LYS 221 Cb 1.05 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.65 3krp h LYS 221 CO 0.03 0.30 0.40 -2.95 -3.45 0.00 0.00 179.45 173.78 3krp h ASN 222 N -1.00 0.20 -0.04 4.20 -1.07 -1.76 0.34 115.58 116.44 3krp h ASN 222 Ca -0.07 0.01 0.01 0.00 0.07 0.00 0.00 56.30 56.32 3krp h ASN 222 Cb 0.57 -0.03 -0.00 0.00 -2.07 0.00 0.00 38.32 36.79 3krp h ASN 222 CO -0.04 0.11 0.05 0.28 0.07 0.00 0.00 177.43 177.90 3krp h SER 223 N 0.22 0.00 0.00 6.14 0.02 -1.74 -3.40 113.55 114.78 3krp h SER 223 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3krp h SER 223 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 3krp h SER 223 CO -0.05 0.00 0.00 1.57 -1.14 0.00 0.00 176.83 177.21 3krp n HIS 224 N -3.88 0.00 -1.93 3.45 -0.00 0.10 -4.87 115.22 108.09 3krp n HIS 224 Ca -0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.28 3krp n HIS 224 Cb 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.10 3krp n HIS 224 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 3krp s GLN 225 N 0.00 4.18 0.00 1.57 -0.21 -0.26 -4.51 119.66 120.43 3krp s GLN 225 Ca 0.00 2.29 0.00 0.00 0.02 0.00 0.00 55.36 57.67 3krp s GLN 225 Cb 0.00 -3.99 0.00 0.00 1.00 0.00 0.00 33.01 30.02 3krp s GLN 225 CO 0.00 -0.86 0.00 -0.11 -2.12 0.00 0.00 175.29 172.20 3krp n LEU 226 N 7.08 0.00 -4.57 2.90 7.94 -1.26 -5.06 117.00 124.03 3krp n LEU 226 Ca 0.18 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.82 3krp n LEU 226 Cb 0.42 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.31 3krp n LEU 226 CO 0.64 0.04 1.39 -0.51 -1.11 0.00 0.00 177.39 177.83 3krp s ILE 227 N 0.00 3.43 0.96 1.96 2.07 -1.26 -4.93 121.20 123.43 3krp s ILE 227 Ca 0.00 -0.58 -0.13 0.00 -1.41 0.00 0.00 60.65 58.53 3krp s ILE 227 Cb 0.00 -4.20 0.02 0.00 0.13 0.00 0.00 42.46 38.40 3krp s ILE 227 CO 0.00 -0.84 0.28 -0.90 -1.91 0.00 0.00 174.94 171.57 3krp n ASP 228 N 14.92 -2.49 0.00 4.50 5.68 -1.26 -4.77 116.55 133.13 3krp n ASP 228 Ca 0.43 0.31 0.05 0.00 -0.50 0.00 0.00 54.79 55.08 3krp n ASP 228 Cb 0.46 -1.16 0.28 0.00 -1.14 0.00 0.00 41.12 39.57 3krp n ASP 228 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3krp n GLU 229 N -1.28 0.19 0.16 0.11 -0.58 -1.26 -3.16 120.64 114.83 3krp n GLU 229 Ca 0.06 0.14 -0.12 0.00 -0.42 0.00 0.00 57.16 56.82 3krp n GLU 229 Cb 0.54 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.84 3krp n GLU 229 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3krp h ASN 230 N 0.00 -0.39 -0.83 1.62 4.21 -1.99 -1.14 115.58 117.07 3krp h ASN 230 Ca 0.00 -0.16 0.06 0.00 1.21 0.00 0.00 56.30 57.41 3krp h ASN 230 Cb 0.08 0.10 -0.06 0.00 -1.12 0.00 0.00 38.32 37.32 3krp h ASN 230 CO 0.00 0.04 0.51 0.40 -1.29 0.00 0.00 177.43 177.09 3krp h ILE 231 N -0.92 1.04 0.85 2.81 1.08 -1.89 0.20 117.51 120.68 3krp h ILE 231 Ca -0.05 -0.32 -0.04 0.00 -0.39 0.00 0.00 64.86 64.06 3krp h ILE 231 Cb 0.53 0.02 0.01 0.00 -3.07 0.00 0.00 36.82 34.31 3krp h ILE 231 CO 0.08 0.17 -0.41 0.40 -0.69 0.00 0.00 178.15 177.70 3krp h ILE 232 N 0.94 0.10 -0.55 -0.67 2.04 -1.66 -2.16 117.51 115.55 3krp h ILE 232 Ca 0.36 -0.10 0.08 0.00 1.00 0.00 0.00 64.86 66.20 3krp h ILE 232 Cb 0.15 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.28 3krp h ILE 232 CO -0.17 0.00 0.21 1.23 0.00 0.00 0.00 178.15 179.43 3krp h GLY 233 N -1.22 0.75 -0.14 5.37 0.00 -0.98 1.14 103.07 107.99 3krp h GLY 233 Ca -0.12 -0.12 0.18 0.00 0.00 0.00 0.00 47.33 47.27 3krp h GLY 233 CO 0.19 0.01 0.22 0.50 0.00 0.00 0.00 176.54 177.46 3krp h LYS 234 N 0.40 0.28 0.23 4.80 1.57 -0.55 1.26 116.57 124.56 3krp h LYS 234 Ca 0.27 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3krp h LYS 234 Cb 0.29 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3krp h LYS 234 CO -0.26 0.19 -0.11 -0.07 -0.57 0.00 0.00 179.45 178.63 3krp h LEU 235 N 0.29 -0.26 -0.94 2.94 3.38 -0.43 -1.69 115.31 118.60 3krp h LEU 235 Ca 0.45 -0.21 0.21 0.00 0.09 0.00 0.00 57.88 58.42 3krp h LEU 235 Cb 0.81 0.07 -0.18 0.00 0.09 0.00 0.00 40.66 41.44 3krp h LEU 235 CO -0.53 0.26 -0.14 0.50 0.09 0.00 0.00 178.44 178.62 3krp h LYS 236 N -0.97 0.01 0.00 1.13 3.64 0.21 -1.97 116.57 118.62 3krp h LYS 236 Ca -0.03 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3krp h LYS 236 Cb 0.45 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3krp h LYS 236 CO 0.05 0.01 0.00 0.39 -2.27 0.00 0.00 179.45 177.63 3krp n GLU 237 N -5.55 0.00 0.00 1.90 1.02 0.43 -3.35 120.64 115.08 3krp n GLU 237 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 3krp n GLU 237 Cb 0.55 -0.80 0.00 0.00 -0.02 0.00 0.00 31.44 31.18 3krp n GLU 237 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3krp n LEU 238 N -0.30 0.00 0.06 -4.62 4.77 -0.64 0.90 117.00 117.18 3krp n LEU 238 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 3krp n LEU 238 Cb 0.00 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 3krp n LEU 238 CO 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 177.39 176.01 3krp h ALA 239 N 0.00 -0.08 -0.27 -1.18 0.00 -1.42 -3.36 119.26 112.95 3krp h ALA 239 Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 54.91 54.19 3krp h ALA 239 Cb 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3krp h ALA 239 CO 0.00 0.48 0.03 -0.07 0.00 0.00 0.00 179.25 179.69 3krp h LEU 240 N -0.27 -0.04 -0.78 0.00 3.38 0.51 -2.29 115.31 115.82 3krp h LEU 240 Ca -0.18 0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.02 3krp h LEU 240 Cb 1.75 0.08 -0.12 0.00 0.09 0.00 0.00 40.66 42.46 3krp h LEU 240 CO 0.17 0.01 0.17 -0.33 0.09 0.00 0.00 178.44 178.55 3krp h GLU 241 N 0.12 0.22 -0.69 1.13 5.08 -1.72 0.40 114.58 119.12 3krp h GLU 241 Ca 0.13 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.61 3krp h GLU 241 Cb 0.15 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.25 3krp h GLU 241 CO -0.19 0.15 0.18 0.93 -1.00 0.00 0.00 179.01 179.08 3krp h GLU 242 N 0.23 0.29 0.00 2.33 4.39 -1.56 0.27 114.58 120.53 3krp h GLU 242 Ca 0.45 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.14 3krp h GLU 242 Cb 0.82 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 3krp h GLU 242 CO -0.58 0.19 0.00 1.28 -1.16 0.00 0.00 179.01 178.75 3krp n LEU 243 N -5.12 0.00 -4.58 1.33 4.77 0.14 -4.67 117.00 108.88 3krp n LEU 243 Ca 0.12 0.29 -0.41 0.00 -0.03 0.00 0.00 56.01 55.99 3krp n LEU 243 Cb 0.40 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3krp n LEU 243 CO 0.15 -0.28 1.92 0.61 -1.33 0.00 0.00 177.39 178.46 3krp n GLY 244 N -1.19 0.74 0.00 -0.72 0.00 0.94 -2.31 105.19 102.65 3krp n GLY 244 Ca 0.01 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.76 3krp n GLY 244 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krp n GLY 245 N 5.86 0.25 3.10 -0.02 0.00 -1.26 -5.11 105.19 108.02 3krp n GLY 245 Ca 0.32 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 3krp n GLY 245 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3krp s PHE 246 N -1.14 3.09 0.15 1.61 0.08 -0.98 -5.11 117.98 115.67 3krp s PHE 246 Ca 0.00 -2.01 0.10 0.00 0.12 0.00 0.00 56.93 55.14 3krp s PHE 246 Cb 0.00 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 3krp s PHE 246 CO 0.00 -0.84 -0.21 -1.01 -0.10 0.00 0.00 175.22 173.06 3krp s HIS 247 N 1.19 2.43 -5.00 0.36 3.76 -1.26 -4.77 115.29 112.00 3krp s HIS 247 Ca -0.03 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 3krp s HIS 247 Cb -0.17 -1.26 0.00 0.00 1.11 0.00 0.00 32.58 32.25 3krp s HIS 247 CO -0.07 0.42 0.00 0.41 -0.85 0.00 0.00 174.74 174.64 3krp n GLY 248 N 0.61 0.34 0.21 -2.22 0.00 -1.26 -4.56 105.19 98.31 3krp n GLY 248 Ca -0.15 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.18 3krp n GLY 248 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3krp h LYS 249 N 5.26 0.00 0.00 1.61 1.57 -2.00 -3.13 116.57 119.87 3krp h LYS 249 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 3krp h LYS 249 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3krp h LYS 249 CO 0.00 0.00 -1.33 0.27 -0.57 0.00 0.00 179.45 177.82 3krp n ASN 250 N -2.92 1.87 -0.05 0.86 0.23 -1.26 -4.01 115.26 109.98 3krp n ASN 250 Ca 0.04 0.44 0.24 0.00 -0.53 0.00 0.00 54.58 54.77 3krp n ASN 250 Cb 0.46 -0.93 0.63 0.00 -2.08 0.00 0.00 39.78 37.86 3krp n ASN 250 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3krp h ALA 251 N -0.64 2.50 0.00 -2.53 0.00 -1.80 0.88 119.26 117.66 3krp h ALA 251 Ca -0.34 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3krp h ALA 251 Cb 1.23 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3krp h ALA 251 CO -0.21 -1.14 -1.16 -1.91 0.00 0.00 0.00 179.25 174.84 3krp n GLU 252 N -3.52 0.61 0.01 0.00 2.13 -1.19 -3.56 120.64 115.13 3krp n GLU 252 Ca 0.15 0.16 -0.13 0.00 0.66 0.00 0.00 57.16 58.00 3krp n GLU 252 Cb 1.02 -1.82 -0.09 0.00 0.27 0.00 0.00 31.44 30.82 3krp n GLU 252 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3krp h LEU 253 N 0.00 -0.03 -0.50 4.31 3.38 0.63 -2.03 115.31 121.07 3krp h LEU 253 Ca -0.06 -0.35 0.10 0.00 0.09 0.00 0.00 57.88 57.66 3krp h LEU 253 Cb 1.22 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.87 3krp h LEU 253 CO 0.02 0.33 -0.28 -0.03 0.09 0.00 0.00 178.44 178.58 3krp h MET 254 N -0.40 -0.15 -0.13 1.13 4.05 -1.53 1.14 114.93 119.04 3krp h MET 254 Ca -0.00 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.47 3krp h MET 254 Cb 0.37 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 3krp h MET 254 CO 0.01 -0.10 0.22 1.03 0.23 0.00 0.00 176.91 178.29 3krp h SER 255 N -0.16 0.00 0.85 1.39 0.87 -1.57 -0.40 113.55 114.52 3krp h SER 255 Ca 0.22 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.66 3krp h SER 255 Cb 0.51 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 3krp h SER 255 CO -0.59 0.00 -0.56 0.77 -0.53 0.00 0.00 176.83 175.91 3krp h SER 256 N 0.00 0.00 -0.04 6.23 4.64 0.21 -2.73 113.55 121.86 3krp h SER 256 Ca 0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3krp h SER 256 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3krp h SER 256 CO -0.00 0.56 0.03 0.25 -0.87 0.00 0.00 176.83 176.80 3krp h LEU 257 N 0.00 0.06 0.00 5.97 5.85 -0.74 -2.45 115.31 124.01 3krp h LEU 257 Ca -0.01 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3krp h LEU 257 Cb 1.14 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3krp h LEU 257 CO 0.07 0.05 -0.94 1.33 -0.34 0.00 0.00 178.44 178.61 3krp n VAL 258 N -4.53 0.00 0.10 1.05 0.24 -1.19 -5.11 118.33 108.90 3krp n VAL 258 Ca -0.02 -0.09 0.01 0.00 -2.04 0.00 0.00 64.34 62.20 3krp n VAL 258 Cb 0.09 0.93 0.01 0.00 -1.47 0.00 0.00 33.84 33.40 3krp n VAL 258 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69